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 1fgr_1_A DATA FIRST_RESID 6 DATA SEQUENCE HKIKGTVVLM PKNELEXXXX XXXXXNLNAF LGRSVSLQLI SATKADAHGK DATA SEQUENCE GKVGKDTFLE GINTSLPTLG AGESAFNIHF EWDGSMGIPG AFYIKNYMQV DATA SEQUENCE EFFLKSLTLE AIXXXXTIRF VCNSWVYNTK LYKSVRIFFA NHTYVPSETP DATA SEQUENCE APLVSYREEE LKSLRGNGTG ERKEYDRIYD YDVYNDLGNP DKSEKLARPV DATA SEQUENCE LGGSSTFPYP RRGRTGRGPT VTDPNTEKQG EVFYVPRDEN LGHLKSKDAL DATA SEQUENCE EIGTKSLSQI VQPAFESAFD LKSTPIEFHS FQDVHDLYEG GIKLPRDVIS DATA SEQUENCE TIIPLPVIKE LYRTDGQHIL KFPQPHVVQV SQSAWMTDEE FAREMIAGVN DATA SEQUENCE PCVIRGLEEF PPKSNLDPAI YGDQSSKITA DSLDLDGYTM DEALGSRRLF DATA SEQUENCE MLDYHDIFMP YVRQINQLNS AKTYATRTIL FLREDGTLKP VAIELSLPHS DATA SEQUENCE AGDLSAAVSQ VVLPAKEGVE STIWLLAKAY VIVNDSCYHQ LMSHWLNTHA DATA SEQUENCE AMEPFVIATH RHLSVLHPIY KLLTPHYRNN MNINALARQS LINANGIIET DATA SEQUENCE TFLPSKYSVE MSSAVYKNWV FTDQALPADL IKRGVAIKDP STPHGVRLLI DATA SEQUENCE EDYPYAADGL EIWAAIKTWV QEYVPLYYAR DDDVKNDSEL QHWWKEAVEK DATA SEQUENCE GHGDLKDKPW WPKLQTLEDL VEVCLIIIWI ASALHAAVNF GEYPYGGLIM DATA SEQUENCE NRPTASRRLL PEKGTPEYEE MINNHEKAYL RTITSKLPTL ISLSVIEILS DATA SEQUENCE THASDEVYLG QRDNPHWTSD SKALQAFQKF GNKLKEIEEK LVRRNNDPSL DATA SEQUENCE QGNRLGPVQL PYTLLYPSSE EGLTFRGIPN SISI 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.436 175.328 0.180 0.000 0.993 6 H CA 0.000 56.120 56.048 0.119 0.000 1.023 6 H CB 0.000 nan 29.762 nan 0.000 1.292 7 K N 0.840 121.343 120.400 0.172 0.000 2.172 7 K HA 0.693 5.015 4.320 0.003 0.000 0.276 7 K C -0.739 175.994 176.600 0.221 0.000 1.013 7 K CA -0.488 55.929 56.287 0.217 0.000 0.913 7 K CB 2.134 34.757 32.500 0.206 0.000 1.055 7 K HN 0.420 nan 8.250 nan 0.000 0.461 8 I N 3.113 123.830 120.570 0.245 0.000 2.410 8 I HA 0.175 4.347 4.170 0.003 0.000 0.286 8 I C -0.146 176.026 176.117 0.093 0.000 1.009 8 I CA -0.772 60.626 61.300 0.162 0.000 1.111 8 I CB 1.612 39.682 38.000 0.116 0.000 1.262 8 I HN 0.419 nan 8.210 nan 0.000 0.443 9 K N 5.278 125.659 120.400 -0.031 0.000 2.339 9 K HA 0.524 4.846 4.320 0.003 0.000 0.286 9 K C -0.080 176.413 176.600 -0.179 0.000 1.050 9 K CA -0.101 56.003 56.287 -0.305 0.000 0.956 9 K CB 0.900 33.291 32.500 -0.181 0.000 0.990 9 K HN 0.827 nan 8.250 nan 0.000 0.475 10 G N 1.728 110.401 108.800 -0.211 0.000 2.533 10 G HA2 0.480 4.442 3.960 0.003 0.000 0.304 10 G HA3 0.480 4.442 3.960 0.003 0.000 0.304 10 G C -1.319 173.514 174.900 -0.112 0.000 1.263 10 G CA -0.525 44.530 45.100 -0.075 0.000 0.964 10 G HN 0.497 nan 8.290 nan 0.000 0.479 11 T N 0.346 114.847 114.554 -0.089 0.000 2.879 11 T HA 0.496 4.848 4.350 0.003 0.000 0.290 11 T C -0.603 174.043 174.700 -0.090 0.000 0.993 11 T CA -0.289 61.762 62.100 -0.081 0.000 0.975 11 T CB 1.711 70.535 68.868 -0.073 0.000 0.981 11 T HN 0.360 nan 8.240 nan 0.000 0.439 12 V N 4.058 123.932 119.914 -0.067 0.000 2.398 12 V HA 0.505 4.627 4.120 0.003 0.000 0.286 12 V C -0.158 175.912 176.094 -0.041 0.000 1.026 12 V CA -0.671 61.579 62.300 -0.084 0.000 0.868 12 V CB 1.705 33.470 31.823 -0.097 0.000 0.982 12 V HN 0.700 nan 8.190 nan 0.000 0.443 13 V N 6.840 126.705 119.914 -0.081 0.000 2.417 13 V HA 0.681 4.803 4.120 0.003 0.000 0.291 13 V C -0.348 175.684 176.094 -0.103 0.000 1.024 13 V CA -0.451 61.798 62.300 -0.084 0.000 0.861 13 V CB 1.390 33.168 31.823 -0.075 0.000 0.985 13 V HN 0.793 nan 8.190 nan 0.000 0.436 14 L N 2.723 123.884 121.223 -0.104 0.000 2.479 14 L HA 0.827 5.169 4.340 0.003 0.000 0.255 14 L C -0.876 175.951 176.870 -0.073 0.000 1.026 14 L CA -0.919 53.846 54.840 -0.124 0.000 0.842 14 L CB 2.234 44.119 42.059 -0.291 0.000 1.444 14 L HN 0.494 nan 8.230 nan 0.000 0.409 15 M N 1.390 121.005 119.600 0.025 0.000 2.197 15 M HA 0.549 5.031 4.480 0.003 0.000 0.301 15 M C -2.565 173.838 176.300 0.171 0.000 0.987 15 M CA -1.320 54.030 55.300 0.083 0.000 0.921 15 M CB 2.278 34.956 32.600 0.130 0.000 1.569 15 M HN 0.397 nan 8.290 nan 0.000 0.431 16 P HA 0.077 nan 4.420 nan 0.000 0.271 16 P C 0.215 177.744 177.300 0.381 0.000 1.218 16 P CA -0.148 63.194 63.100 0.404 0.000 0.780 16 P CB 0.755 32.711 31.700 0.426 0.000 0.901 17 K N 3.576 124.253 120.400 0.463 0.000 2.089 17 K HA -0.255 4.067 4.320 0.003 0.000 0.210 17 K C 1.257 178.039 176.600 0.303 0.000 1.048 17 K CA 1.905 58.471 56.287 0.464 0.000 0.926 17 K CB -0.390 32.302 32.500 0.321 0.000 0.714 17 K HN 0.503 nan 8.250 nan 0.000 0.448 18 N N 0.197 119.033 118.700 0.226 0.000 2.627 18 N HA -0.136 4.605 4.740 0.003 0.000 0.196 18 N C 0.300 175.900 175.510 0.150 0.000 1.268 18 N CA 0.755 53.901 53.050 0.160 0.000 0.904 18 N CB 0.221 38.788 38.487 0.132 0.000 1.016 18 N HN 0.355 nan 8.380 nan 0.000 0.448 19 E N -0.029 120.278 120.200 0.178 0.000 2.256 19 E HA 0.129 4.481 4.350 0.003 0.000 0.198 19 E C 1.261 177.937 176.600 0.126 0.000 0.908 19 E CA 0.236 56.717 56.400 0.136 0.000 0.915 19 E CB 0.052 29.827 29.700 0.125 0.000 0.890 19 E HN 0.263 nan 8.360 nan 0.000 0.484 20 L N 1.473 122.800 121.223 0.173 0.000 2.607 20 L HA 0.143 4.485 4.340 0.003 0.000 0.228 20 L C 0.796 177.756 176.870 0.149 0.000 1.123 20 L CA 0.317 55.245 54.840 0.147 0.000 0.890 20 L CB -0.131 42.033 42.059 0.175 0.000 1.103 20 L HN 0.084 nan 8.230 nan 0.000 0.468 32 L N 0.449 121.887 121.223 0.359 0.000 2.184 32 L HA -0.415 3.927 4.340 0.003 0.000 0.236 32 L C 1.524 178.706 176.870 0.521 0.000 1.120 32 L CA 1.899 57.074 54.840 0.558 0.000 0.844 32 L CB -0.709 41.522 42.059 0.288 0.000 0.932 32 L HN 0.614 nan 8.230 nan 0.000 0.450 33 N N -0.256 118.605 118.700 0.268 0.000 2.334 33 N HA -0.192 4.550 4.740 0.003 0.000 0.187 33 N C 1.698 177.265 175.510 0.096 0.000 1.016 33 N CA 1.492 54.648 53.050 0.177 0.000 0.879 33 N CB -0.158 38.388 38.487 0.098 0.000 0.965 33 N HN 0.502 nan 8.380 nan 0.000 0.438 34 A N -0.002 122.826 122.820 0.014 0.000 2.121 34 A HA -0.033 4.289 4.320 0.003 0.000 0.218 34 A C 1.499 178.940 177.584 -0.238 0.000 1.154 34 A CA 0.655 52.603 52.037 -0.148 0.000 0.679 34 A CB -0.517 18.327 19.000 -0.259 0.000 0.795 34 A HN 0.168 nan 8.150 nan 0.000 0.458 35 F N -0.121 119.787 119.950 -0.071 0.000 2.710 35 F HA 0.226 4.755 4.527 0.003 0.000 0.298 35 F C 1.153 176.805 175.800 -0.246 0.000 1.137 35 F CA 0.099 57.945 58.000 -0.256 0.000 1.444 35 F CB -0.273 38.346 39.000 -0.635 0.000 1.111 35 F HN 0.076 nan 8.300 nan 0.000 0.580 36 L N -1.360 119.884 121.223 0.034 0.000 2.777 36 L HA 0.517 4.859 4.340 0.003 0.000 0.195 36 L C 1.698 178.571 176.870 0.006 0.000 1.190 36 L CA -0.013 54.844 54.840 0.029 0.000 0.933 36 L CB -0.824 41.276 42.059 0.069 0.000 1.758 36 L HN 0.270 nan 8.230 nan 0.000 0.515 37 G N -0.042 108.747 108.800 -0.020 0.000 2.583 37 G HA2 -0.340 3.622 3.960 0.003 0.000 0.292 37 G HA3 -0.340 3.622 3.960 0.003 0.000 0.292 37 G C 0.332 175.111 174.900 -0.202 0.000 1.203 37 G CA 0.406 45.445 45.100 -0.103 0.000 0.987 37 G HN 0.640 nan 8.290 nan 0.000 0.554 38 R N 0.513 120.822 120.500 -0.317 0.000 2.831 38 R HA 0.449 4.791 4.340 0.003 0.000 0.337 38 R C 1.864 178.191 176.300 0.044 0.000 1.200 38 R CA 0.477 56.218 56.100 -0.598 0.000 1.088 38 R CB 0.309 30.118 30.300 -0.818 0.000 1.397 38 R HN 0.286 nan 8.270 nan 0.000 0.581 39 S N 0.019 115.829 115.700 0.185 0.000 2.395 39 S HA 0.036 4.508 4.470 0.003 0.000 0.225 39 S C 0.770 175.639 174.600 0.448 0.000 1.027 39 S CA 0.544 58.907 58.200 0.272 0.000 0.965 39 S CB 0.480 63.740 63.200 0.100 0.000 0.812 39 S HN 0.039 nan 8.310 nan 0.000 0.482 40 V N 2.023 122.204 119.914 0.446 0.000 2.569 40 V HA 0.540 4.662 4.120 0.003 0.000 0.301 40 V C -0.626 175.572 176.094 0.173 0.000 1.044 40 V CA -0.825 61.661 62.300 0.309 0.000 0.874 40 V CB 1.837 33.727 31.823 0.111 0.000 1.002 40 V HN 0.313 nan 8.190 nan 0.000 0.424 41 S N 5.412 121.101 115.700 -0.018 0.000 2.503 41 S HA 0.934 5.406 4.470 0.003 0.000 0.301 41 S C -1.186 173.328 174.600 -0.143 0.000 1.087 41 S CA -0.695 57.245 58.200 -0.433 0.000 1.042 41 S CB 1.984 64.657 63.200 -0.878 0.000 1.043 41 S HN 0.393 nan 8.310 nan 0.000 0.489 42 L N 1.708 122.862 121.223 -0.115 0.000 2.354 42 L HA 0.606 4.948 4.340 0.003 0.000 0.269 42 L C -0.277 176.705 176.870 0.185 0.000 1.005 42 L CA -0.288 54.606 54.840 0.091 0.000 0.819 42 L CB 2.088 44.184 42.059 0.060 0.000 1.311 42 L HN 0.802 nan 8.230 nan 0.000 0.423 43 Q N 2.360 122.299 119.800 0.230 0.000 2.292 43 Q HA 0.582 4.924 4.340 0.003 0.000 0.270 43 Q C -1.330 174.727 176.000 0.094 0.000 1.024 43 Q CA -0.581 55.357 55.803 0.224 0.000 0.768 43 Q CB 2.613 31.510 28.738 0.264 0.000 1.250 43 Q HN 0.462 nan 8.270 nan 0.000 0.447 44 L N 3.216 124.400 121.223 -0.065 0.000 2.417 44 L HA 0.458 4.799 4.340 0.003 0.000 0.268 44 L C -0.221 176.582 176.870 -0.110 0.000 1.158 44 L CA -0.249 54.367 54.840 -0.374 0.000 0.819 44 L CB 0.533 41.997 42.059 -0.991 0.000 1.112 44 L HN 0.495 nan 8.230 nan 0.000 0.458 45 I N 1.105 121.569 120.570 -0.178 0.000 2.498 45 I HA 0.189 4.361 4.170 0.003 0.000 0.290 45 I C 0.006 176.189 176.117 0.110 0.000 1.032 45 I CA -0.267 61.026 61.300 -0.012 0.000 1.073 45 I CB 2.087 39.883 38.000 -0.341 0.000 1.251 45 I HN 0.487 nan 8.210 nan 0.000 0.426 46 S N 3.544 119.472 115.700 0.381 0.000 2.545 46 S HA 0.489 4.961 4.470 0.003 0.000 0.275 46 S C 0.853 175.607 174.600 0.256 0.000 1.299 46 S CA -0.103 58.341 58.200 0.407 0.000 1.048 46 S CB 1.314 64.806 63.200 0.486 0.000 0.938 46 S HN 0.738 nan 8.310 nan 0.000 0.496 47 A N 3.175 126.121 122.820 0.210 0.000 2.267 47 A HA 0.185 4.507 4.320 0.003 0.000 0.213 47 A C 1.744 179.397 177.584 0.115 0.000 1.192 47 A CA 0.828 52.963 52.037 0.164 0.000 0.851 47 A CB -0.307 18.788 19.000 0.159 0.000 0.881 47 A HN 0.922 nan 8.150 nan 0.000 0.494 48 T N -4.201 110.432 114.554 0.132 0.000 2.955 48 T HA 0.290 4.642 4.350 0.003 0.000 0.251 48 T C 0.415 175.163 174.700 0.079 0.000 1.002 48 T CA 0.133 62.284 62.100 0.086 0.000 0.970 48 T CB 0.045 68.963 68.868 0.083 0.000 1.091 48 T HN 0.074 nan 8.240 nan 0.000 0.495 49 K N 1.892 122.357 120.400 0.109 0.000 2.339 49 K HA 0.789 5.111 4.320 0.003 0.000 0.264 49 K C -0.834 175.816 176.600 0.084 0.000 0.986 49 K CA -0.479 55.850 56.287 0.070 0.000 0.866 49 K CB 1.403 33.926 32.500 0.039 0.000 1.103 49 K HN 0.392 nan 8.250 nan 0.000 0.441 50 A N 3.153 126.007 122.820 0.057 0.000 2.322 50 A HA 0.573 4.895 4.320 0.003 0.000 0.327 50 A C -0.626 176.983 177.584 0.041 0.000 1.134 50 A CA -0.695 51.379 52.037 0.062 0.000 0.831 50 A CB 0.519 19.544 19.000 0.043 0.000 1.288 50 A HN 0.859 nan 8.150 nan 0.000 0.472 51 D N 0.189 120.621 120.400 0.054 0.000 2.403 51 D HA 0.422 5.064 4.640 0.003 0.000 0.278 51 D C 1.098 177.392 176.300 -0.011 0.000 1.230 51 D CA 0.206 54.225 54.000 0.032 0.000 1.062 51 D CB 0.061 40.904 40.800 0.071 0.000 1.119 51 D HN 0.463 nan 8.370 nan 0.000 0.557 52 A N -1.667 121.113 122.820 -0.067 0.000 2.172 52 A HA -0.124 4.198 4.320 0.003 0.000 0.216 52 A C 1.258 178.678 177.584 -0.273 0.000 1.154 52 A CA 0.866 52.796 52.037 -0.179 0.000 0.701 52 A CB -0.719 18.128 19.000 -0.254 0.000 0.789 52 A HN 0.564 nan 8.150 nan 0.000 0.465 53 H N -1.655 117.411 119.070 -0.006 0.000 2.592 53 H HA 0.277 4.835 4.556 0.003 0.000 0.279 53 H C 1.583 176.888 175.328 -0.038 0.000 1.089 53 H CA 0.417 56.453 56.048 -0.020 0.000 1.150 53 H CB 0.285 30.035 29.762 -0.020 0.000 1.575 53 H HN 0.564 nan 8.280 nan 0.000 0.547 54 G N 1.539 110.367 108.800 0.048 0.000 2.179 54 G HA2 -0.287 3.674 3.960 0.003 0.000 0.260 54 G HA3 -0.287 3.674 3.960 0.003 0.000 0.260 54 G C 0.236 175.125 174.900 -0.019 0.000 0.977 54 G CA 0.061 45.167 45.100 0.010 0.000 0.641 54 G HN 0.310 nan 8.290 nan 0.000 0.533 55 K N 0.811 121.200 120.400 -0.019 0.000 2.172 55 K HA 0.525 4.847 4.320 0.003 0.000 0.276 55 K C 1.045 177.699 176.600 0.091 0.000 1.013 55 K CA -0.192 56.025 56.287 -0.115 0.000 0.913 55 K CB 1.349 33.718 32.500 -0.217 0.000 1.055 55 K HN 0.306 nan 8.250 nan 0.000 0.461 56 G N 2.814 111.762 108.800 0.246 0.000 2.321 56 G HA2 -0.103 3.859 3.960 0.003 0.000 0.237 56 G HA3 -0.103 3.859 3.960 0.003 0.000 0.237 56 G C -0.315 174.786 174.900 0.335 0.000 1.282 56 G CA -0.228 45.075 45.100 0.338 0.000 0.886 56 G HN 0.501 nan 8.290 nan 0.000 0.528 57 K N 0.426 120.967 120.400 0.235 0.000 2.414 57 K HA 0.244 4.565 4.320 0.003 0.000 0.272 57 K C -0.044 176.719 176.600 0.272 0.000 0.993 57 K CA -0.206 56.198 56.287 0.195 0.000 0.964 57 K CB 1.159 33.702 32.500 0.071 0.000 0.925 57 K HN 0.195 nan 8.250 nan 0.000 0.487 58 V N 2.128 122.192 119.914 0.250 0.000 2.513 58 V HA 0.315 4.437 4.120 0.003 0.000 0.299 58 V C 0.806 177.073 176.094 0.290 0.000 1.035 58 V CA -0.776 61.702 62.300 0.297 0.000 0.889 58 V CB 1.610 33.614 31.823 0.301 0.000 0.988 58 V HN 0.975 nan 8.190 nan 0.000 0.440 59 G N 3.120 112.175 108.800 0.426 0.000 2.535 59 G HA2 0.351 4.313 3.960 0.003 0.000 0.282 59 G HA3 0.351 4.313 3.960 0.003 0.000 0.282 59 G C -0.250 174.809 174.900 0.265 0.000 1.350 59 G CA -0.688 44.647 45.100 0.392 0.000 1.039 59 G HN 0.649 nan 8.290 nan 0.000 0.509 60 K N 0.228 120.771 120.400 0.239 0.000 2.202 60 K HA 0.131 4.453 4.320 0.003 0.000 0.264 60 K C -0.554 176.134 176.600 0.146 0.000 1.010 60 K CA -0.362 56.027 56.287 0.171 0.000 0.940 60 K CB 0.712 33.301 32.500 0.149 0.000 0.983 60 K HN 0.364 nan 8.250 nan 0.000 0.475 61 D N 2.255 122.705 120.400 0.083 0.000 2.434 61 D HA 0.000 4.642 4.640 0.003 0.000 0.252 61 D C -0.502 175.705 176.300 -0.156 0.000 1.185 61 D CA 0.752 54.718 54.000 -0.055 0.000 0.886 61 D CB 0.680 41.443 40.800 -0.062 0.000 1.148 61 D HN 0.326 nan 8.370 nan 0.000 0.483 62 T N 3.019 117.417 114.554 -0.260 0.000 2.792 62 T HA 0.400 4.752 4.350 0.003 0.000 0.280 62 T C -0.007 174.421 174.700 -0.453 0.000 0.990 62 T CA -0.565 61.369 62.100 -0.276 0.000 0.960 62 T CB 0.590 69.222 68.868 -0.394 0.000 0.939 62 T HN 0.053 nan 8.240 nan 0.000 0.439 63 F N 1.258 121.161 119.950 -0.078 0.000 2.450 63 F HA 0.524 5.053 4.527 0.003 0.000 0.328 63 F C 0.637 176.369 175.800 -0.113 0.000 1.068 63 F CA -1.496 56.470 58.000 -0.058 0.000 1.007 63 F CB 0.625 39.615 39.000 -0.015 0.000 1.251 63 F HN 0.256 nan 8.300 nan 0.000 0.492 64 L N 1.718 122.982 121.223 0.069 0.000 2.499 64 L HA 0.050 4.392 4.340 0.003 0.000 0.273 64 L C 0.878 177.776 176.870 0.046 0.000 1.195 64 L CA 0.354 55.178 54.840 -0.028 0.000 0.882 64 L CB 0.359 42.305 42.059 -0.188 0.000 1.133 64 L HN 0.776 nan 8.230 nan 0.000 0.483 65 E N 1.911 122.145 120.200 0.058 0.000 2.099 65 E HA 0.182 4.534 4.350 0.003 0.000 0.191 65 E C 0.754 177.415 176.600 0.102 0.000 0.962 65 E CA 0.421 56.865 56.400 0.075 0.000 0.826 65 E CB 0.414 30.161 29.700 0.078 0.000 0.788 65 E HN 0.822 nan 8.360 nan 0.000 0.461 66 G N 0.075 108.967 108.800 0.152 0.000 2.559 66 G HA2 0.457 4.418 3.960 0.003 0.000 0.291 66 G HA3 0.457 4.418 3.960 0.003 0.000 0.291 66 G C -1.640 173.382 174.900 0.204 0.000 1.424 66 G CA -0.943 44.256 45.100 0.165 0.000 0.786 66 G HN -0.081 nan 8.290 nan 0.000 0.485 67 I N 1.576 122.204 120.570 0.096 0.000 2.395 67 I HA 0.267 4.439 4.170 0.003 0.000 0.289 67 I C 0.235 176.272 176.117 -0.134 0.000 1.023 67 I CA -0.964 60.254 61.300 -0.135 0.000 1.350 67 I CB 1.391 39.302 38.000 -0.149 0.000 1.409 67 I HN 0.354 nan 8.210 nan 0.000 0.507 68 N N 3.963 122.534 118.700 -0.215 0.000 2.426 68 N HA 0.157 4.898 4.740 0.003 0.000 0.257 68 N C -0.427 174.996 175.510 -0.145 0.000 1.002 68 N CA 0.051 53.020 53.050 -0.135 0.000 0.942 68 N CB 1.043 39.458 38.487 -0.119 0.000 1.112 68 N HN 0.603 nan 8.380 nan 0.000 0.499 69 T N 1.683 116.181 114.554 -0.094 0.000 3.416 69 T HA 0.322 4.674 4.350 0.003 0.000 0.245 69 T C 0.215 174.883 174.700 -0.054 0.000 1.081 69 T CA -0.329 61.723 62.100 -0.080 0.000 1.190 69 T CB -0.194 68.634 68.868 -0.066 0.000 1.068 69 T HN 0.412 nan 8.240 nan 0.000 0.580 70 S N 0.967 116.635 115.700 -0.053 0.000 2.691 70 S HA 0.353 4.824 4.470 0.003 0.000 0.241 70 S C 0.168 174.749 174.600 -0.032 0.000 1.077 70 S CA -0.314 57.865 58.200 -0.036 0.000 0.900 70 S CB 0.135 63.317 63.200 -0.029 0.000 0.805 70 S HN 0.461 nan 8.310 nan 0.000 0.529 71 L N 3.875 125.076 121.223 -0.037 0.000 2.276 71 L HA 0.409 4.751 4.340 0.003 0.000 0.286 71 L C -2.053 174.800 176.870 -0.028 0.000 1.061 71 L CA -1.888 52.935 54.840 -0.028 0.000 0.807 71 L CB 0.749 42.792 42.059 -0.026 0.000 1.177 71 L HN -0.072 nan 8.230 nan 0.000 0.429 72 P HA -0.055 nan 4.420 nan 0.000 0.215 72 P C 0.105 177.397 177.300 -0.013 0.000 1.157 72 P CA 0.923 64.014 63.100 -0.016 0.000 0.863 72 P CB 0.047 31.741 31.700 -0.010 0.000 0.787 73 T N 1.759 116.308 114.554 -0.008 0.000 3.333 73 T HA 0.208 4.560 4.350 0.003 0.000 0.240 73 T C 0.030 174.726 174.700 -0.006 0.000 0.961 73 T CA 0.652 62.751 62.100 -0.001 0.000 1.215 73 T CB -1.127 67.746 68.868 0.008 0.000 1.031 73 T HN -0.086 nan 8.240 nan 0.000 0.709 74 L N 2.435 123.652 121.223 -0.011 0.000 2.847 74 L HA 0.519 4.861 4.340 0.003 0.000 0.243 74 L C -0.003 176.857 176.870 -0.016 0.000 0.978 74 L CA -0.080 54.749 54.840 -0.019 0.000 1.030 74 L CB 0.256 42.290 42.059 -0.042 0.000 1.351 74 L HN 0.501 nan 8.230 nan 0.000 0.512 75 G N 1.878 110.676 108.800 -0.003 0.000 3.194 75 G HA2 0.600 4.562 3.960 0.003 0.000 0.160 75 G HA3 0.600 4.562 3.960 0.003 0.000 0.160 75 G C 0.526 175.432 174.900 0.010 0.000 1.267 75 G CA -0.184 44.918 45.100 0.003 0.000 0.962 75 G HN 1.574 nan 8.290 nan 0.000 0.612 76 A N -1.293 121.540 122.820 0.021 0.000 2.596 76 A HA 0.259 4.581 4.320 0.003 0.000 0.300 76 A C 1.894 179.496 177.584 0.030 0.000 1.495 76 A CA 1.692 53.747 52.037 0.030 0.000 0.769 76 A CB -1.737 17.286 19.000 0.037 0.000 1.047 76 A HN 2.827 nan 8.150 nan 0.000 0.436 77 G N -1.315 107.501 108.800 0.025 0.000 2.379 77 G HA2 -0.254 3.708 3.960 0.003 0.000 0.297 77 G HA3 -0.254 3.708 3.960 0.003 0.000 0.297 77 G C -0.058 174.854 174.900 0.019 0.000 1.004 77 G CA 1.087 46.205 45.100 0.028 0.000 0.921 77 G HN 1.127 nan 8.290 nan 0.000 0.511 78 E N -0.384 119.814 120.200 -0.003 0.000 2.248 78 E HA 0.640 4.991 4.350 0.003 0.000 0.272 78 E C -0.187 176.359 176.600 -0.089 0.000 1.008 78 E CA -0.416 55.967 56.400 -0.028 0.000 0.856 78 E CB 1.330 31.018 29.700 -0.020 0.000 1.120 78 E HN 0.143 nan 8.360 nan 0.000 0.397 79 S N 0.614 116.222 115.700 -0.153 0.000 2.538 79 S HA 0.596 5.068 4.470 0.003 0.000 0.288 79 S C -1.108 173.242 174.600 -0.417 0.000 1.108 79 S CA -0.748 57.264 58.200 -0.313 0.000 0.971 79 S CB 1.756 64.717 63.200 -0.398 0.000 1.041 79 S HN 0.578 nan 8.310 nan 0.000 0.483 80 A N 2.504 125.037 122.820 -0.478 0.000 2.312 80 A HA 0.870 5.191 4.320 0.003 0.000 0.326 80 A C -1.223 175.992 177.584 -0.616 0.000 1.172 80 A CA -0.350 51.456 52.037 -0.385 0.000 0.821 80 A CB 0.176 19.043 19.000 -0.222 0.000 1.166 80 A HN 0.625 nan 8.150 nan 0.000 0.493 81 F N 1.580 121.441 119.950 -0.149 0.000 2.540 81 F HA 0.353 4.882 4.527 0.003 0.000 0.317 81 F C 0.276 176.007 175.800 -0.114 0.000 1.104 81 F CA -0.763 57.159 58.000 -0.130 0.000 0.913 81 F CB 2.010 40.909 39.000 -0.168 0.000 1.170 81 F HN 0.503 nan 8.300 nan 0.000 0.450 82 N N 3.366 122.125 118.700 0.099 0.000 2.530 82 N HA 0.578 5.320 4.740 0.003 0.000 0.277 82 N C -1.017 174.498 175.510 0.009 0.000 1.168 82 N CA -0.115 52.953 53.050 0.030 0.000 0.979 82 N CB 2.072 40.600 38.487 0.068 0.000 1.141 82 N HN 0.715 nan 8.380 nan 0.000 0.459 83 I N 0.584 121.089 120.570 -0.109 0.000 2.787 83 I HA 0.227 4.399 4.170 0.003 0.000 0.294 83 I C -1.703 174.183 176.117 -0.385 0.000 1.365 83 I CA -0.596 60.578 61.300 -0.210 0.000 1.029 83 I CB 1.606 39.392 38.000 -0.356 0.000 1.313 83 I HN 0.499 nan 8.210 nan 0.000 0.431 84 H N 6.117 124.984 119.070 -0.338 0.000 2.589 84 H HA 0.569 5.126 4.556 0.003 0.000 0.351 84 H C -1.461 173.684 175.328 -0.305 0.000 1.074 84 H CA -0.181 55.750 56.048 -0.195 0.000 1.203 84 H CB 1.589 31.315 29.762 -0.061 0.000 1.558 84 H HN 0.266 nan 8.280 nan 0.000 0.522 85 F N 0.481 120.481 119.950 0.083 0.000 2.450 85 F HA 0.209 4.738 4.527 0.003 0.000 0.332 85 F C 0.836 176.745 175.800 0.181 0.000 1.093 85 F CA -0.880 57.180 58.000 0.100 0.000 1.003 85 F CB 1.292 40.309 39.000 0.028 0.000 1.151 85 F HN 0.493 nan 8.300 nan 0.000 0.474 86 E N 4.119 124.540 120.200 0.369 0.000 1.932 86 E HA -0.008 4.344 4.350 0.003 0.000 0.275 86 E C -1.448 175.386 176.600 0.390 0.000 1.159 86 E CA -0.102 56.470 56.400 0.287 0.000 0.905 86 E CB 0.377 30.191 29.700 0.189 0.000 1.059 86 E HN 0.645 nan 8.360 nan 0.000 0.400 87 W N 6.304 127.675 121.300 0.117 0.000 2.728 87 W HA 0.138 4.800 4.660 0.003 0.000 0.324 87 W C -1.392 175.165 176.519 0.063 0.000 1.012 87 W CA -0.914 56.480 57.345 0.083 0.000 1.279 87 W CB 0.956 30.457 29.460 0.069 0.000 1.289 87 W HN 0.518 nan 8.180 nan 0.000 0.418 88 D N 1.041 121.359 120.400 -0.136 0.000 2.312 88 D HA 0.363 5.004 4.640 0.003 0.000 0.248 88 D C 1.544 177.781 176.300 -0.106 0.000 1.086 88 D CA -0.354 53.602 54.000 -0.075 0.000 0.948 88 D CB 0.949 41.692 40.800 -0.096 0.000 1.162 88 D HN 0.367 nan 8.370 nan 0.000 0.446 89 G N -0.045 108.756 108.800 0.003 0.000 2.499 89 G HA2 -0.308 3.654 3.960 0.003 0.000 0.221 89 G HA3 -0.308 3.654 3.960 0.003 0.000 0.221 89 G C 1.310 176.192 174.900 -0.029 0.000 1.109 89 G CA 1.105 46.224 45.100 0.032 0.000 0.749 89 G HN 0.577 nan 8.290 nan 0.000 0.568 90 S N -0.204 115.440 115.700 -0.092 0.000 2.481 90 S HA 0.099 4.571 4.470 0.003 0.000 0.231 90 S C 1.973 176.464 174.600 -0.181 0.000 0.996 90 S CA 0.610 58.746 58.200 -0.107 0.000 0.942 90 S CB -0.098 63.041 63.200 -0.101 0.000 0.768 90 S HN 0.163 nan 8.310 nan 0.000 0.520 91 M N 1.701 121.081 119.600 -0.367 0.000 2.561 91 M HA 0.260 4.742 4.480 0.003 0.000 0.238 91 M C 1.503 177.712 176.300 -0.152 0.000 1.131 91 M CA 0.579 55.521 55.300 -0.595 0.000 1.046 91 M CB -1.405 30.157 32.600 -1.730 0.000 1.532 91 M HN 0.599 nan 8.290 nan 0.000 0.497 92 G N 1.426 110.251 108.800 0.042 0.000 2.593 92 G HA2 -0.215 3.747 3.960 0.003 0.000 0.237 92 G HA3 -0.215 3.747 3.960 0.003 0.000 0.237 92 G C -0.318 174.839 174.900 0.429 0.000 1.312 92 G CA -0.817 44.407 45.100 0.208 0.000 0.896 92 G HN 0.263 nan 8.290 nan 0.000 0.574 93 I N 2.857 123.614 120.570 0.312 0.000 2.354 93 I HA 0.363 4.535 4.170 0.003 0.000 0.292 93 I C -1.794 174.435 176.117 0.187 0.000 0.989 93 I CA -2.331 59.113 61.300 0.239 0.000 1.188 93 I CB 1.198 39.278 38.000 0.132 0.000 1.342 93 I HN 0.309 nan 8.210 nan 0.000 0.457 94 P HA 0.142 nan 4.420 nan 0.000 0.271 94 P C 0.507 177.831 177.300 0.040 0.000 1.220 94 P CA 0.046 63.047 63.100 -0.164 0.000 0.768 94 P CB 1.101 32.443 31.700 -0.597 0.000 0.848 95 G N 1.465 110.331 108.800 0.109 0.000 3.274 95 G HA2 0.526 4.488 3.960 0.003 0.000 0.250 95 G HA3 0.526 4.488 3.960 0.003 0.000 0.250 95 G C 0.052 175.096 174.900 0.240 0.000 1.024 95 G CA 0.312 45.520 45.100 0.181 0.000 0.840 95 G HN 0.828 nan 8.290 nan 0.000 0.522 96 A N -0.318 122.625 122.820 0.206 0.000 2.540 96 A HA 0.805 5.127 4.320 0.003 0.000 0.291 96 A C -1.788 175.728 177.584 -0.113 0.000 1.083 96 A CA -0.692 51.367 52.037 0.036 0.000 0.650 96 A CB 0.798 19.498 19.000 -0.500 0.000 1.292 96 A HN 1.204 nan 8.150 nan 0.000 0.435 97 F N -2.091 117.577 119.950 -0.469 0.000 2.678 97 F HA 0.817 5.346 4.527 0.003 0.000 0.308 97 F C -1.972 173.583 175.800 -0.409 0.000 1.118 97 F CA -1.157 56.552 58.000 -0.485 0.000 0.959 97 F CB 0.667 39.339 39.000 -0.547 0.000 1.305 97 F HN 0.544 nan 8.300 nan 0.000 0.443 98 Y N 2.855 123.152 120.300 -0.005 0.000 2.419 98 Y HA 0.747 5.299 4.550 0.003 0.000 0.328 98 Y C -0.263 175.744 175.900 0.179 0.000 1.162 98 Y CA -1.441 56.618 58.100 -0.067 0.000 1.174 98 Y CB 1.845 40.260 38.460 -0.075 0.000 1.228 98 Y HN 0.822 nan 8.280 nan 0.000 0.473 99 I N 2.471 123.226 120.570 0.307 0.000 2.656 99 I HA 0.423 4.595 4.170 0.003 0.000 0.292 99 I C -1.672 174.521 176.117 0.127 0.000 1.144 99 I CA -0.740 60.734 61.300 0.289 0.000 1.038 99 I CB 1.558 39.837 38.000 0.466 0.000 1.244 99 I HN 0.548 nan 8.210 nan 0.000 0.420 100 K N 4.806 125.227 120.400 0.037 0.000 2.397 100 K HA 0.352 4.673 4.320 0.003 0.000 0.253 100 K C -1.138 175.362 176.600 -0.167 0.000 0.932 100 K CA -0.835 55.368 56.287 -0.139 0.000 0.795 100 K CB 1.752 34.049 32.500 -0.337 0.000 1.159 100 K HN 0.434 nan 8.250 nan 0.000 0.424 101 N N 2.450 121.085 118.700 -0.109 0.000 2.469 101 N HA 0.135 4.877 4.740 0.003 0.000 0.253 101 N C -0.585 174.872 175.510 -0.089 0.000 0.970 101 N CA -0.180 52.907 53.050 0.061 0.000 0.940 101 N CB 0.491 39.051 38.487 0.122 0.000 1.128 101 N HN 0.473 nan 8.380 nan 0.000 0.503 102 Y N 1.923 122.345 120.300 0.204 0.000 2.466 102 Y HA 0.293 4.845 4.550 0.003 0.000 0.272 102 Y C 0.773 176.730 175.900 0.096 0.000 1.169 102 Y CA 0.054 58.237 58.100 0.139 0.000 1.285 102 Y CB -0.012 38.537 38.460 0.149 0.000 1.078 102 Y HN 0.399 nan 8.280 nan 0.000 0.523 103 M N 0.022 119.752 119.600 0.217 0.000 2.228 103 M HA 0.036 4.517 4.480 0.003 0.000 0.326 103 M C 1.322 177.675 176.300 0.087 0.000 1.122 103 M CA -0.110 55.265 55.300 0.124 0.000 1.161 103 M CB 0.707 33.364 32.600 0.096 0.000 1.437 103 M HN 0.036 nan 8.290 nan 0.000 0.465 104 Q N 0.584 120.414 119.800 0.049 0.000 2.083 104 Q HA 0.063 4.405 4.340 0.003 0.000 0.198 104 Q C 0.208 176.221 176.000 0.021 0.000 0.969 104 Q CA 0.968 56.790 55.803 0.031 0.000 0.838 104 Q CB -0.230 28.519 28.738 0.020 0.000 0.900 104 Q HN 0.555 nan 8.270 nan 0.000 0.436 105 V N 3.552 123.484 119.914 0.029 0.000 2.607 105 V HA 0.047 4.169 4.120 0.003 0.000 0.289 105 V C 0.551 176.670 176.094 0.042 0.000 1.053 105 V CA -0.733 61.581 62.300 0.023 0.000 0.996 105 V CB 1.370 33.223 31.823 0.050 0.000 0.995 105 V HN 0.269 nan 8.190 nan 0.000 0.476 106 E N 4.465 124.603 120.200 -0.105 0.000 2.390 106 E HA 0.280 4.632 4.350 0.003 0.000 0.261 106 E C -0.942 175.808 176.600 0.250 0.000 1.076 106 E CA -0.191 56.102 56.400 -0.178 0.000 0.905 106 E CB 1.182 30.399 29.700 -0.806 0.000 0.984 106 E HN 0.491 nan 8.360 nan 0.000 0.427 107 F N -0.783 119.370 119.950 0.339 0.000 2.620 107 F HA 0.632 5.160 4.527 0.003 0.000 0.320 107 F C -1.259 174.618 175.800 0.128 0.000 1.069 107 F CA -2.077 56.126 58.000 0.338 0.000 0.953 107 F CB 0.895 40.082 39.000 0.312 0.000 1.322 107 F HN 0.284 nan 8.300 nan 0.000 0.479 108 F N 3.626 123.486 119.950 -0.150 0.000 2.371 108 F HA 0.551 5.080 4.527 0.003 0.000 0.363 108 F C -0.726 174.996 175.800 -0.130 0.000 1.122 108 F CA -1.333 56.271 58.000 -0.660 0.000 1.129 108 F CB 0.968 39.263 39.000 -1.175 0.000 1.173 108 F HN 0.585 nan 8.300 nan 0.000 0.489 109 L N 7.817 128.749 121.223 -0.486 0.000 2.315 109 L HA 0.279 4.621 4.340 0.003 0.000 0.283 109 L C 0.752 177.211 176.870 -0.685 0.000 1.089 109 L CA 0.285 54.911 54.840 -0.356 0.000 0.833 109 L CB 0.447 42.367 42.059 -0.230 0.000 1.170 109 L HN 0.574 nan 8.230 nan 0.000 0.442 110 K N 2.451 122.607 120.400 -0.406 0.000 2.078 110 K HA 0.254 4.576 4.320 0.003 0.000 0.203 110 K C 0.339 176.819 176.600 -0.201 0.000 1.043 110 K CA 1.050 57.156 56.287 -0.302 0.000 0.960 110 K CB -0.032 32.400 32.500 -0.113 0.000 0.761 110 K HN 0.810 nan 8.250 nan 0.000 0.448 111 S N -0.638 114.972 115.700 -0.149 0.000 2.615 111 S HA 0.537 5.009 4.470 0.003 0.000 0.268 111 S C -1.737 172.808 174.600 -0.092 0.000 1.146 111 S CA -1.129 57.026 58.200 -0.074 0.000 0.818 111 S CB 1.200 64.392 63.200 -0.012 0.000 1.111 111 S HN 0.026 nan 8.310 nan 0.000 0.465 112 L N 0.670 121.867 121.223 -0.043 0.000 2.408 112 L HA 0.874 5.216 4.340 0.003 0.000 0.268 112 L C -1.197 175.687 176.870 0.024 0.000 0.986 112 L CA 0.214 54.948 54.840 -0.176 0.000 0.820 112 L CB 2.110 43.782 42.059 -0.645 0.000 1.303 112 L HN 0.966 nan 8.230 nan 0.000 0.411 113 T N 5.881 120.414 114.554 -0.036 0.000 2.879 113 T HA 0.618 4.970 4.350 0.003 0.000 0.290 113 T C -0.711 173.971 174.700 -0.030 0.000 0.993 113 T CA -0.336 61.765 62.100 0.002 0.000 0.975 113 T CB 1.046 69.887 68.868 -0.046 0.000 0.981 113 T HN 0.480 nan 8.240 nan 0.000 0.439 114 L N 3.050 124.272 121.223 -0.001 0.000 2.329 114 L HA 0.558 4.900 4.340 0.003 0.000 0.279 114 L C 0.849 177.694 176.870 -0.042 0.000 1.014 114 L CA -0.906 53.908 54.840 -0.042 0.000 0.814 114 L CB 1.615 43.637 42.059 -0.063 0.000 1.257 114 L HN 0.641 nan 8.230 nan 0.000 0.424 115 E N 1.939 122.115 120.200 -0.040 0.000 3.565 115 E HA 0.304 4.656 4.350 0.003 0.000 0.475 115 E C 0.364 176.956 176.600 -0.012 0.000 0.425 115 E CA -0.716 55.667 56.400 -0.028 0.000 2.837 115 E CB 0.140 29.825 29.700 -0.024 0.000 2.245 115 E HN 0.646 nan 8.360 nan 0.000 0.509 116 A N 1.331 124.153 122.820 0.003 0.000 2.291 116 A HA -0.003 4.319 4.320 0.003 0.000 0.313 116 A C 0.109 177.708 177.584 0.026 0.000 1.108 116 A CA 1.142 53.189 52.037 0.017 0.000 1.273 116 A CB -1.518 17.500 19.000 0.031 0.000 0.773 116 A HN 0.496 nan 8.150 nan 0.000 0.415 123 I N 2.548 123.060 120.570 -0.097 0.000 2.418 123 I HA 0.511 4.683 4.170 0.003 0.000 0.287 123 I C -0.010 175.990 176.117 -0.194 0.000 1.008 123 I CA -0.786 60.413 61.300 -0.168 0.000 1.104 123 I CB 1.767 39.702 38.000 -0.109 0.000 1.264 123 I HN 0.312 nan 8.210 nan 0.000 0.438 124 R N 5.476 125.760 120.500 -0.361 0.000 2.589 124 R HA 0.680 5.021 4.340 0.003 0.000 0.293 124 R C -1.573 174.483 176.300 -0.407 0.000 0.963 124 R CA -0.664 55.279 56.100 -0.262 0.000 0.905 124 R CB 1.984 32.109 30.300 -0.291 0.000 1.144 124 R HN 0.318 nan 8.270 nan 0.000 0.459 125 F N 1.719 121.623 119.950 -0.076 0.000 2.499 125 F HA 0.265 4.794 4.527 0.003 0.000 0.333 125 F C -0.013 175.787 175.800 0.001 0.000 1.138 125 F CA -1.138 56.868 58.000 0.010 0.000 0.945 125 F CB 1.939 41.034 39.000 0.159 0.000 1.181 125 F HN 0.157 nan 8.300 nan 0.000 0.435 126 V N 0.083 120.091 119.914 0.157 0.000 2.333 126 V HA 0.374 4.496 4.120 0.003 0.000 0.274 126 V C -0.231 175.920 176.094 0.095 0.000 1.028 126 V CA -0.549 61.817 62.300 0.110 0.000 0.851 126 V CB 0.312 32.212 31.823 0.129 0.000 1.000 126 V HN 0.999 nan 8.190 nan 0.000 0.456 127 C N 2.606 121.879 119.300 -0.046 0.000 2.393 127 C HA 0.267 4.729 4.460 0.003 0.000 0.332 127 C C 1.166 176.072 174.990 -0.140 0.000 1.423 127 C CA 0.046 58.947 59.018 -0.195 0.000 2.097 127 C CB -0.912 26.376 27.740 -0.754 0.000 2.274 127 C HN 0.989 nan 8.230 nan 0.000 0.570 128 N N 1.832 120.340 118.700 -0.319 0.000 2.669 128 N HA -0.161 4.580 4.740 0.003 0.000 0.266 128 N C -0.458 174.850 175.510 -0.338 0.000 1.024 128 N CA 1.283 54.088 53.050 -0.408 0.000 0.766 128 N CB -0.713 37.825 38.487 0.086 0.000 0.898 128 N HN 0.655 nan 8.380 nan 0.000 0.548 129 S N -0.581 114.708 115.700 -0.684 0.000 2.536 129 S HA 0.527 4.999 4.470 0.003 0.000 0.271 129 S C -0.973 173.552 174.600 -0.123 0.000 1.134 129 S CA -0.804 57.349 58.200 -0.078 0.000 0.897 129 S CB 0.773 64.161 63.200 0.313 0.000 1.094 129 S HN 0.304 nan 8.310 nan 0.000 0.473 130 W N 2.886 124.400 121.300 0.355 0.000 2.253 130 W HA 0.480 5.142 4.660 0.003 0.000 0.322 130 W C -0.295 176.375 176.519 0.253 0.000 1.342 130 W CA -0.341 57.205 57.345 0.335 0.000 1.218 130 W CB 0.838 30.566 29.460 0.446 0.000 1.205 130 W HN 0.353 nan 8.180 nan 0.000 0.551 131 V N 5.753 125.766 119.914 0.164 0.000 2.326 131 V HA 0.201 4.323 4.120 0.003 0.000 0.281 131 V C -0.317 175.769 176.094 -0.012 0.000 1.015 131 V CA -1.183 61.159 62.300 0.069 0.000 0.823 131 V CB -0.356 31.252 31.823 -0.358 0.000 1.009 131 V HN 0.346 nan 8.190 nan 0.000 0.436 132 Y N 2.079 122.492 120.300 0.189 0.000 2.282 132 Y HA 0.216 4.768 4.550 0.003 0.000 0.335 132 Y C 1.296 177.121 175.900 -0.126 0.000 1.335 132 Y CA -0.549 57.510 58.100 -0.070 0.000 1.529 132 Y CB 0.413 38.681 38.460 -0.320 0.000 1.429 132 Y HN 0.592 nan 8.280 nan 0.000 0.563 133 N N 0.357 119.035 118.700 -0.037 0.000 2.412 133 N HA -0.138 4.604 4.740 0.003 0.000 0.254 133 N C 1.125 176.575 175.510 -0.100 0.000 1.232 133 N CA 0.665 53.684 53.050 -0.052 0.000 0.880 133 N CB 1.062 39.521 38.487 -0.046 0.000 1.076 133 N HN 0.834 nan 8.380 nan 0.000 0.458 134 T N 3.230 117.759 114.554 -0.041 0.000 2.802 134 T HA -0.141 4.211 4.350 0.003 0.000 0.269 134 T C 1.434 176.124 174.700 -0.016 0.000 1.062 134 T CA 1.533 63.634 62.100 0.001 0.000 1.133 134 T CB 0.008 68.797 68.868 -0.132 0.000 0.852 134 T HN 0.590 nan 8.240 nan 0.000 0.485 135 K N 0.102 120.468 120.400 -0.057 0.000 2.362 135 K HA 0.123 4.445 4.320 0.003 0.000 0.200 135 K C 1.906 178.409 176.600 -0.162 0.000 1.046 135 K CA 0.668 56.916 56.287 -0.065 0.000 0.952 135 K CB -0.069 32.407 32.500 -0.040 0.000 0.753 135 K HN 0.404 nan 8.250 nan 0.000 0.466 136 L N 0.009 121.024 121.223 -0.346 0.000 2.492 136 L HA 0.014 4.356 4.340 0.003 0.000 0.223 136 L C 0.033 176.606 176.870 -0.495 0.000 1.132 136 L CA 0.119 54.587 54.840 -0.622 0.000 0.850 136 L CB 0.010 41.358 42.059 -1.185 0.000 0.966 136 L HN 0.039 nan 8.230 nan 0.000 0.454 137 Y N -0.198 120.017 120.300 -0.141 0.000 2.330 137 Y HA 0.150 4.702 4.550 0.003 0.000 0.336 137 Y C 1.212 177.088 175.900 -0.040 0.000 1.036 137 Y CA -0.970 57.091 58.100 -0.065 0.000 1.125 137 Y CB 1.179 39.611 38.460 -0.046 0.000 1.194 137 Y HN -0.164 nan 8.280 nan 0.000 0.469 138 K N 1.405 121.904 120.400 0.164 0.000 2.097 138 K HA -0.049 4.273 4.320 0.003 0.000 0.205 138 K C 0.049 176.684 176.600 0.059 0.000 1.050 138 K CA 1.226 57.563 56.287 0.084 0.000 0.938 138 K CB 0.152 32.696 32.500 0.073 0.000 0.718 138 K HN 0.691 nan 8.250 nan 0.000 0.442 139 S N -0.671 115.062 115.700 0.055 0.000 2.570 139 S HA 0.392 4.864 4.470 0.003 0.000 0.286 139 S C -0.424 174.138 174.600 -0.064 0.000 1.099 139 S CA -1.198 56.998 58.200 -0.006 0.000 0.913 139 S CB 1.989 65.190 63.200 0.001 0.000 1.085 139 S HN -0.092 nan 8.310 nan 0.000 0.480 140 V N 3.300 123.139 119.914 -0.126 0.000 2.673 140 V HA 0.205 4.327 4.120 0.003 0.000 0.303 140 V C 0.809 176.802 176.094 -0.168 0.000 1.046 140 V CA -0.334 61.861 62.300 -0.175 0.000 1.126 140 V CB -0.326 31.291 31.823 -0.344 0.000 0.934 140 V HN 0.775 nan 8.190 nan 0.000 0.487 141 R N 3.875 124.204 120.500 -0.284 0.000 2.522 141 R HA 0.332 4.674 4.340 0.003 0.000 0.284 141 R C -0.312 175.776 176.300 -0.354 0.000 1.032 141 R CA 0.109 55.960 56.100 -0.415 0.000 1.049 141 R CB 0.029 30.087 30.300 -0.403 0.000 0.956 141 R HN 0.745 nan 8.270 nan 0.000 0.422 142 I N 3.088 123.272 120.570 -0.643 0.000 2.569 142 I HA 0.462 4.634 4.170 0.003 0.000 0.296 142 I C -1.282 174.083 176.117 -1.254 0.000 1.028 142 I CA -0.913 59.897 61.300 -0.817 0.000 1.082 142 I CB 1.106 38.676 38.000 -0.717 0.000 1.264 142 I HN 0.307 nan 8.210 nan 0.000 0.429 143 F N 6.120 125.463 119.950 -1.011 0.000 2.565 143 F HA 0.527 5.056 4.527 0.003 0.000 0.313 143 F C -0.682 174.707 175.800 -0.685 0.000 1.091 143 F CA -0.445 57.076 58.000 -0.798 0.000 0.915 143 F CB 1.753 40.165 39.000 -0.979 0.000 1.208 143 F HN 0.176 nan 8.300 nan 0.000 0.453 144 F N 1.287 121.274 119.950 0.060 0.000 2.440 144 F HA 0.730 5.259 4.527 0.003 0.000 0.328 144 F C 0.630 176.479 175.800 0.081 0.000 1.070 144 F CA -1.011 57.043 58.000 0.090 0.000 1.011 144 F CB 0.954 39.955 39.000 0.000 0.000 1.226 144 F HN 0.564 nan 8.300 nan 0.000 0.491 145 A N 1.220 124.020 122.820 -0.033 0.000 2.386 145 A HA 0.149 4.471 4.320 0.003 0.000 0.246 145 A C 0.849 178.181 177.584 -0.420 0.000 1.089 145 A CA -0.403 51.179 52.037 -0.759 0.000 0.790 145 A CB -0.061 18.419 19.000 -0.867 0.000 1.042 145 A HN 0.834 nan 8.150 nan 0.000 0.497 146 N N 0.769 119.139 118.700 -0.549 0.000 2.535 146 N HA -0.058 4.684 4.740 0.003 0.000 0.203 146 N C -0.152 175.128 175.510 -0.383 0.000 1.301 146 N CA 0.240 53.081 53.050 -0.348 0.000 0.859 146 N CB -0.565 37.767 38.487 -0.260 0.000 1.055 146 N HN 0.576 nan 8.380 nan 0.000 0.457 147 H N -0.056 118.856 119.070 -0.263 0.000 2.551 147 H HA 0.282 4.840 4.556 0.003 0.000 0.358 147 H C -0.009 174.954 175.328 -0.608 0.000 1.151 147 H CA -0.004 55.781 56.048 -0.439 0.000 1.374 147 H CB 0.954 30.415 29.762 -0.502 0.000 1.473 147 H HN 0.013 nan 8.280 nan 0.000 0.574 148 T N 3.587 117.826 114.554 -0.525 0.000 2.797 148 T HA 0.431 4.783 4.350 0.003 0.000 0.279 148 T C -0.820 173.523 174.700 -0.596 0.000 0.991 148 T CA -0.535 61.291 62.100 -0.456 0.000 0.979 148 T CB 0.187 68.918 68.868 -0.228 0.000 0.943 148 T HN 0.324 nan 8.240 nan 0.000 0.444 149 Y N 1.315 121.528 120.300 -0.146 0.000 2.361 149 Y HA 0.443 4.995 4.550 0.003 0.000 0.328 149 Y C 0.248 175.970 175.900 -0.297 0.000 1.044 149 Y CA -1.601 56.399 58.100 -0.168 0.000 1.085 149 Y CB 0.790 39.171 38.460 -0.131 0.000 1.194 149 Y HN 0.570 nan 8.280 nan 0.000 0.438 150 V N 1.179 120.978 119.914 -0.193 0.000 3.237 150 V HA 0.228 4.349 4.120 0.003 0.000 0.305 150 V C -2.041 173.973 176.094 -0.133 0.000 1.096 150 V CA -1.303 60.784 62.300 -0.356 0.000 1.130 150 V CB 0.774 32.360 31.823 -0.395 0.000 1.048 150 V HN 0.543 nan 8.190 nan 0.000 0.484 151 P HA -0.190 nan 4.420 nan 0.000 0.215 151 P C 1.969 179.240 177.300 -0.048 0.000 1.163 151 P CA 2.587 65.675 63.100 -0.019 0.000 0.894 151 P CB -0.160 31.564 31.700 0.041 0.000 0.791 152 S N -1.574 114.099 115.700 -0.045 0.000 2.584 152 S HA -0.101 4.371 4.470 0.003 0.000 0.240 152 S C 1.394 175.946 174.600 -0.080 0.000 0.975 152 S CA 0.940 59.109 58.200 -0.053 0.000 0.949 152 S CB -0.792 62.385 63.200 -0.038 0.000 0.761 152 S HN 0.116 nan 8.310 nan 0.000 0.536 153 E N 1.075 121.220 120.200 -0.092 0.000 2.498 153 E HA 0.153 4.505 4.350 0.003 0.000 0.203 153 E C -0.225 176.185 176.600 -0.317 0.000 1.013 153 E CA 0.088 56.421 56.400 -0.112 0.000 0.927 153 E CB 0.448 30.153 29.700 0.008 0.000 1.012 153 E HN 0.444 nan 8.360 nan 0.000 0.482 154 T N 3.788 118.156 114.554 -0.311 0.000 2.888 154 T HA 0.140 4.492 4.350 0.003 0.000 0.301 154 T C -2.377 172.060 174.700 -0.438 0.000 1.001 154 T CA -0.903 60.898 62.100 -0.498 0.000 1.147 154 T CB 0.660 69.391 68.868 -0.228 0.000 0.931 154 T HN -0.103 nan 8.240 nan 0.000 0.541 155 P HA 0.114 nan 4.420 nan 0.000 0.264 155 P C 0.609 177.824 177.300 -0.142 0.000 1.183 155 P CA -0.101 62.831 63.100 -0.280 0.000 0.763 155 P CB 0.378 31.948 31.700 -0.216 0.000 0.807 156 A N 6.521 129.283 122.820 -0.097 0.000 1.958 156 A HA -0.166 4.156 4.320 0.003 0.000 0.221 156 A C -0.461 177.106 177.584 -0.029 0.000 1.178 156 A CA 1.934 53.935 52.037 -0.059 0.000 0.642 156 A CB -2.336 16.638 19.000 -0.044 0.000 0.816 156 A HN 0.510 nan 8.150 nan 0.000 0.453 157 P HA 0.019 nan 4.420 nan 0.000 0.234 157 P C 0.768 178.136 177.300 0.114 0.000 1.167 157 P CA 0.684 63.817 63.100 0.055 0.000 0.763 157 P CB 0.054 31.817 31.700 0.105 0.000 0.835 158 L N -2.814 118.479 121.223 0.117 0.000 2.731 158 L HA 0.087 4.429 4.340 0.003 0.000 0.240 158 L C 1.916 178.866 176.870 0.133 0.000 1.120 158 L CA 0.005 55.004 54.840 0.264 0.000 0.913 158 L CB -0.259 41.969 42.059 0.283 0.000 1.213 158 L HN -0.221 nan 8.230 nan 0.000 0.515 159 V N -0.207 119.709 119.914 0.003 0.000 2.282 159 V HA -0.350 3.772 4.120 0.003 0.000 0.249 159 V C 2.661 178.739 176.094 -0.028 0.000 1.057 159 V CA 2.473 64.755 62.300 -0.030 0.000 1.032 159 V CB -0.371 31.421 31.823 -0.053 0.000 0.645 159 V HN 0.481 nan 8.190 nan 0.000 0.447 160 S N -1.668 113.976 115.700 -0.094 0.000 2.383 160 S HA -0.158 4.314 4.470 0.003 0.000 0.227 160 S C 1.943 176.524 174.600 -0.032 0.000 1.026 160 S CA 1.275 59.407 58.200 -0.113 0.000 0.981 160 S CB -0.349 62.723 63.200 -0.214 0.000 0.818 160 S HN 0.613 nan 8.310 nan 0.000 0.472 161 Y N 1.749 122.105 120.300 0.093 0.000 2.224 161 Y HA 0.041 4.593 4.550 0.003 0.000 0.289 161 Y C 2.555 178.579 175.900 0.207 0.000 1.146 161 Y CA 1.204 59.389 58.100 0.142 0.000 1.182 161 Y CB -0.614 37.942 38.460 0.160 0.000 0.983 161 Y HN 0.238 nan 8.280 nan 0.000 0.524 162 R N 0.342 121.016 120.500 0.289 0.000 2.066 162 R HA -0.195 4.147 4.340 0.003 0.000 0.232 162 R C 2.146 178.473 176.300 0.044 0.000 1.131 162 R CA 1.754 57.896 56.100 0.070 0.000 0.955 162 R CB -0.127 30.119 30.300 -0.089 0.000 0.851 162 R HN 0.176 nan 8.270 nan 0.000 0.432 163 E N 0.648 120.872 120.200 0.039 0.000 2.106 163 E HA -0.158 4.194 4.350 0.003 0.000 0.192 163 E C 1.641 178.265 176.600 0.040 0.000 0.984 163 E CA 1.401 57.813 56.400 0.021 0.000 0.806 163 E CB 0.023 29.726 29.700 0.003 0.000 0.750 163 E HN 0.292 nan 8.360 nan 0.000 0.458 164 E N 0.364 120.607 120.200 0.073 0.000 2.106 164 E HA -0.189 4.163 4.350 0.003 0.000 0.192 164 E C 1.946 178.595 176.600 0.081 0.000 0.984 164 E CA 1.255 57.703 56.400 0.080 0.000 0.806 164 E CB -0.249 29.520 29.700 0.115 0.000 0.750 164 E HN 0.329 nan 8.360 nan 0.000 0.458 165 E N 1.068 121.333 120.200 0.108 0.000 2.106 165 E HA -0.095 4.257 4.350 0.003 0.000 0.192 165 E C 2.129 178.754 176.600 0.042 0.000 0.984 165 E CA 0.689 57.138 56.400 0.081 0.000 0.806 165 E CB -0.285 29.500 29.700 0.142 0.000 0.750 165 E HN 0.196 nan 8.360 nan 0.000 0.458 166 L N 0.156 121.392 121.223 0.022 0.000 2.056 166 L HA -0.141 4.201 4.340 0.003 0.000 0.207 166 L C 2.482 179.347 176.870 -0.009 0.000 1.078 166 L CA 1.411 56.244 54.840 -0.012 0.000 0.749 166 L CB -0.335 41.705 42.059 -0.032 0.000 0.901 166 L HN 0.100 nan 8.230 nan 0.000 0.433 167 K N -0.721 119.685 120.400 0.010 0.000 2.097 167 K HA -0.171 4.151 4.320 0.003 0.000 0.206 167 K C 2.391 179.009 176.600 0.029 0.000 1.049 167 K CA 1.500 57.797 56.287 0.016 0.000 0.933 167 K CB -0.190 32.325 32.500 0.026 0.000 0.717 167 K HN 0.129 nan 8.250 nan 0.000 0.442 168 S N 1.204 116.927 115.700 0.039 0.000 2.368 168 S HA -0.078 4.394 4.470 0.003 0.000 0.225 168 S C 1.893 176.534 174.600 0.069 0.000 1.030 168 S CA 0.925 59.153 58.200 0.048 0.000 0.999 168 S CB -0.157 63.068 63.200 0.041 0.000 0.844 168 S HN 0.200 nan 8.310 nan 0.000 0.459 169 L N 0.660 121.930 121.223 0.079 0.000 2.201 169 L HA 0.009 4.350 4.340 0.003 0.000 0.212 169 L C 2.767 179.723 176.870 0.143 0.000 1.105 169 L CA 1.004 55.932 54.840 0.148 0.000 0.775 169 L CB -0.325 41.811 42.059 0.128 0.000 0.913 169 L HN 0.258 nan 8.230 nan 0.000 0.440 170 R N -0.224 120.312 120.500 0.060 0.000 2.161 170 R HA 0.118 4.460 4.340 0.003 0.000 0.213 170 R C 1.208 177.535 176.300 0.044 0.000 1.055 170 R CA 0.489 56.612 56.100 0.039 0.000 0.996 170 R CB -0.110 30.185 30.300 -0.009 0.000 0.901 170 R HN 0.412 nan 8.270 nan 0.000 0.456 171 G N 1.738 110.563 108.800 0.042 0.000 2.641 171 G HA2 -0.366 3.596 3.960 0.003 0.000 0.254 171 G HA3 -0.366 3.596 3.960 0.003 0.000 0.254 171 G C -0.087 174.825 174.900 0.020 0.000 1.315 171 G CA 0.307 45.422 45.100 0.024 0.000 0.907 171 G HN 0.546 nan 8.290 nan 0.000 0.572 172 N N -0.411 118.293 118.700 0.008 0.000 2.197 172 N HA 0.480 5.222 4.740 0.003 0.000 0.228 172 N C 1.491 177.005 175.510 0.006 0.000 1.212 172 N CA 1.143 54.199 53.050 0.011 0.000 0.883 172 N CB 0.823 39.313 38.487 0.006 0.000 1.107 172 N HN 2.359 nan 8.380 nan 0.000 0.519 173 G N -0.461 108.339 108.800 -0.001 0.000 2.148 173 G HA2 -0.278 3.684 3.960 0.003 0.000 0.254 173 G HA3 -0.278 3.684 3.960 0.003 0.000 0.254 173 G C 0.095 174.979 174.900 -0.026 0.000 0.981 173 G CA 0.771 45.868 45.100 -0.004 0.000 0.670 173 G HN 0.950 nan 8.290 nan 0.000 0.528 174 T N -2.833 111.697 114.554 -0.040 0.000 2.883 174 T HA 0.920 5.271 4.350 0.003 0.000 0.296 174 T C 0.421 175.073 174.700 -0.080 0.000 1.117 174 T CA 0.363 62.431 62.100 -0.054 0.000 1.006 174 T CB 2.302 71.146 68.868 -0.039 0.000 1.191 174 T HN 2.368 nan 8.240 nan 0.000 0.508 175 G N 0.549 109.294 108.800 -0.091 0.000 2.692 175 G HA2 0.038 3.999 3.960 0.003 0.000 0.686 175 G HA3 0.038 3.999 3.960 0.003 0.000 0.686 175 G C -0.664 174.135 174.900 -0.168 0.000 1.243 175 G CA -0.387 44.644 45.100 -0.115 0.000 0.782 175 G HN 1.131 nan 8.290 nan 0.000 0.625 176 E N 1.264 121.358 120.200 -0.177 0.000 2.257 176 E HA 0.344 4.696 4.350 0.003 0.000 0.278 176 E C 0.752 177.154 176.600 -0.329 0.000 1.049 176 E CA -0.746 55.517 56.400 -0.229 0.000 0.876 176 E CB 0.399 29.989 29.700 -0.183 0.000 1.035 176 E HN 0.433 nan 8.360 nan 0.000 0.419 177 R N 3.739 123.941 120.500 -0.497 0.000 2.543 177 R HA 0.206 4.548 4.340 0.003 0.000 0.277 177 R C -0.068 175.818 176.300 -0.691 0.000 1.074 177 R CA -0.159 55.444 56.100 -0.828 0.000 1.076 177 R CB 0.593 29.861 30.300 -1.719 0.000 0.993 177 R HN 0.463 nan 8.270 nan 0.000 0.459 178 K N 1.699 121.707 120.400 -0.654 0.000 2.238 178 K HA 0.112 4.434 4.320 0.003 0.000 0.239 178 K C 1.007 177.301 176.600 -0.511 0.000 0.987 178 K CA -0.675 55.253 56.287 -0.597 0.000 0.857 178 K CB 1.396 33.370 32.500 -0.878 0.000 1.154 178 K HN 0.569 nan 8.250 nan 0.000 0.439 179 E N 0.924 120.862 120.200 -0.437 0.000 2.108 179 E HA -0.265 4.087 4.350 0.003 0.000 0.203 179 E C 1.070 177.447 176.600 -0.372 0.000 1.022 179 E CA 2.103 58.343 56.400 -0.265 0.000 0.823 179 E CB -0.092 29.508 29.700 -0.167 0.000 0.744 179 E HN 0.591 nan 8.360 nan 0.000 0.456 180 Y N 0.097 120.132 120.300 -0.441 0.000 2.529 180 Y HA 0.267 4.819 4.550 0.003 0.000 0.290 180 Y C 0.147 175.920 175.900 -0.212 0.000 1.177 180 Y CA -0.408 57.261 58.100 -0.719 0.000 1.305 180 Y CB -0.344 37.285 38.460 -1.384 0.000 1.047 180 Y HN -0.231 nan 8.280 nan 0.000 0.522 181 D N 2.007 122.281 120.400 -0.212 0.000 2.382 181 D HA 0.134 4.776 4.640 0.003 0.000 0.240 181 D C 0.068 176.460 176.300 0.153 0.000 1.146 181 D CA 0.128 54.145 54.000 0.029 0.000 0.897 181 D CB 0.689 41.410 40.800 -0.132 0.000 1.197 181 D HN 0.352 nan 8.370 nan 0.000 0.432 182 R N 1.414 122.005 120.500 0.152 0.000 2.881 182 R HA 0.358 4.700 4.340 0.003 0.000 0.331 182 R C -0.504 175.875 176.300 0.133 0.000 1.207 182 R CA -0.288 55.889 56.100 0.128 0.000 1.265 182 R CB 0.291 30.710 30.300 0.198 0.000 1.351 182 R HN 0.295 nan 8.270 nan 0.000 0.613 183 I N 1.161 121.774 120.570 0.072 0.000 2.339 183 I HA 0.282 4.454 4.170 0.003 0.000 0.290 183 I C -0.679 175.426 176.117 -0.020 0.000 0.994 183 I CA -0.887 60.459 61.300 0.077 0.000 1.191 183 I CB 0.976 38.982 38.000 0.011 0.000 1.343 183 I HN 0.081 nan 8.210 nan 0.000 0.458 184 Y N 4.710 125.014 120.300 0.007 0.000 2.331 184 Y HA 0.514 5.066 4.550 0.003 0.000 0.338 184 Y C 0.010 175.822 175.900 -0.148 0.000 0.976 184 Y CA -0.403 57.660 58.100 -0.061 0.000 1.137 184 Y CB 0.975 39.405 38.460 -0.050 0.000 1.172 184 Y HN 0.470 nan 8.280 nan 0.000 0.478 185 D N 0.867 121.202 120.400 -0.108 0.000 2.643 185 D HA 0.328 4.970 4.640 0.003 0.000 0.283 185 D C -1.588 174.519 176.300 -0.321 0.000 1.242 185 D CA -0.754 53.113 54.000 -0.222 0.000 0.863 185 D CB 1.480 42.248 40.800 -0.053 0.000 1.382 185 D HN 0.272 nan 8.370 nan 0.000 0.444 186 Y N 0.202 120.502 120.300 0.001 0.000 2.496 186 Y HA 0.609 5.161 4.550 0.003 0.000 0.331 186 Y C 0.400 176.270 175.900 -0.050 0.000 1.140 186 Y CA -0.512 57.566 58.100 -0.036 0.000 1.166 186 Y CB 1.448 39.876 38.460 -0.052 0.000 1.249 186 Y HN 0.109 nan 8.280 nan 0.000 0.479 187 D N -0.627 119.836 120.400 0.104 0.000 2.653 187 D HA 0.363 5.004 4.640 0.003 0.000 0.258 187 D C -1.301 175.003 176.300 0.007 0.000 1.252 187 D CA -0.438 53.576 54.000 0.024 0.000 0.777 187 D CB 2.198 42.975 40.800 -0.037 0.000 1.339 187 D HN 0.385 nan 8.370 nan 0.000 0.422 188 V N -0.187 119.739 119.914 0.019 0.000 3.336 188 V HA 0.450 4.572 4.120 0.003 0.000 0.304 188 V C 0.033 176.155 176.094 0.046 0.000 1.073 188 V CA -0.226 62.125 62.300 0.086 0.000 1.074 188 V CB 0.435 32.315 31.823 0.094 0.000 1.161 188 V HN 0.483 nan 8.190 nan 0.000 0.460 189 Y N 2.928 123.246 120.300 0.030 0.000 2.636 189 Y HA 0.295 4.847 4.550 0.003 0.000 0.334 189 Y C 1.198 177.062 175.900 -0.060 0.000 1.286 189 Y CA -0.485 57.614 58.100 -0.002 0.000 1.688 189 Y CB -0.533 37.910 38.460 -0.028 0.000 1.662 189 Y HN 0.844 nan 8.280 nan 0.000 0.465 190 N N -0.222 118.493 118.700 0.025 0.000 2.235 190 N HA -0.018 4.724 4.740 0.003 0.000 0.231 190 N C -0.080 175.411 175.510 -0.031 0.000 1.177 190 N CA 0.039 53.082 53.050 -0.011 0.000 0.874 190 N CB 0.074 38.549 38.487 -0.020 0.000 1.097 190 N HN 0.466 nan 8.380 nan 0.000 0.518 191 D N -0.134 120.254 120.400 -0.019 0.000 2.440 191 D HA 0.105 4.746 4.640 0.003 0.000 0.216 191 D C 1.101 177.441 176.300 0.067 0.000 1.150 191 D CA -0.309 53.681 54.000 -0.018 0.000 0.832 191 D CB -0.174 40.568 40.800 -0.097 0.000 0.992 191 D HN 0.198 nan 8.370 nan 0.000 0.502 192 L N -0.062 121.186 121.223 0.040 0.000 2.298 192 L HA 0.289 4.631 4.340 0.003 0.000 0.209 192 L C 1.610 178.467 176.870 -0.021 0.000 1.084 192 L CA 0.441 55.292 54.840 0.018 0.000 0.816 192 L CB -0.308 41.736 42.059 -0.025 0.000 0.967 192 L HN 0.051 nan 8.230 nan 0.000 0.460 193 G N -0.287 108.491 108.800 -0.037 0.000 2.599 193 G HA2 0.092 4.053 3.960 0.003 0.000 0.264 193 G HA3 0.092 4.053 3.960 0.003 0.000 0.264 193 G C -0.338 174.546 174.900 -0.026 0.000 1.200 193 G CA -0.147 44.924 45.100 -0.047 0.000 0.896 193 G HN 0.115 nan 8.290 nan 0.000 0.536 194 N N 0.401 119.083 118.700 -0.030 0.000 2.703 194 N HA 0.251 4.993 4.740 0.003 0.000 0.283 194 N C -1.410 174.085 175.510 -0.025 0.000 1.851 194 N CA -1.657 51.381 53.050 -0.020 0.000 0.826 194 N CB 1.497 39.974 38.487 -0.016 0.000 1.239 194 N HN 0.150 nan 8.380 nan 0.000 0.495 195 P HA -0.089 nan 4.420 nan 0.000 0.219 195 P C 0.367 177.654 177.300 -0.021 0.000 1.146 195 P CA 1.059 64.143 63.100 -0.025 0.000 0.808 195 P CB 0.580 32.266 31.700 -0.025 0.000 0.779 196 D N -0.134 120.254 120.400 -0.020 0.000 2.219 196 D HA -0.116 4.526 4.640 0.003 0.000 0.205 196 D C 2.022 178.312 176.300 -0.016 0.000 0.970 196 D CA 1.036 55.025 54.000 -0.018 0.000 0.851 196 D CB -0.319 40.471 40.800 -0.018 0.000 0.943 196 D HN 0.309 nan 8.370 nan 0.000 0.488 197 K N -0.632 119.757 120.400 -0.017 0.000 2.166 197 K HA 0.028 4.350 4.320 0.003 0.000 0.201 197 K C 0.075 176.664 176.600 -0.018 0.000 1.052 197 K CA 0.387 56.664 56.287 -0.017 0.000 0.969 197 K CB 0.454 32.944 32.500 -0.017 0.000 0.761 197 K HN -0.010 nan 8.250 nan 0.000 0.459 198 S N -0.836 114.851 115.700 -0.021 0.000 2.578 198 S HA 0.110 4.582 4.470 0.003 0.000 0.285 198 S C -0.456 174.129 174.600 -0.024 0.000 1.126 198 S CA -0.724 57.463 58.200 -0.022 0.000 0.878 198 S CB 1.441 64.626 63.200 -0.024 0.000 1.091 198 S HN 0.288 nan 8.310 nan 0.000 0.450 199 E N 2.000 122.187 120.200 -0.021 0.000 2.204 199 E HA -0.090 4.262 4.350 0.003 0.000 0.195 199 E C 1.214 177.797 176.600 -0.028 0.000 0.990 199 E CA 0.835 57.223 56.400 -0.021 0.000 0.821 199 E CB 0.006 29.697 29.700 -0.014 0.000 0.750 199 E HN 0.514 nan 8.360 nan 0.000 0.477 200 K N 0.319 120.700 120.400 -0.032 0.000 2.362 200 K HA -0.036 4.285 4.320 0.003 0.000 0.200 200 K C 1.479 178.044 176.600 -0.058 0.000 1.046 200 K CA 0.598 56.860 56.287 -0.043 0.000 0.952 200 K CB 0.149 32.625 32.500 -0.041 0.000 0.753 200 K HN 0.167 nan 8.250 nan 0.000 0.466 201 L N 0.587 121.779 121.223 -0.051 0.000 2.628 201 L HA 0.196 4.538 4.340 0.003 0.000 0.229 201 L C 0.535 177.369 176.870 -0.060 0.000 1.137 201 L CA -0.612 54.192 54.840 -0.060 0.000 0.909 201 L CB 0.224 42.254 42.059 -0.048 0.000 1.137 201 L HN -0.027 nan 8.230 nan 0.000 0.470 202 A N 0.989 123.776 122.820 -0.054 0.000 2.388 202 A HA 0.597 4.919 4.320 0.003 0.000 0.257 202 A C 0.034 177.575 177.584 -0.072 0.000 1.095 202 A CA -0.069 51.937 52.037 -0.052 0.000 0.791 202 A CB 0.333 19.311 19.000 -0.036 0.000 1.029 202 A HN 0.185 nan 8.150 nan 0.000 0.489 203 R N 1.699 122.149 120.500 -0.084 0.000 2.725 203 R HA 0.516 4.858 4.340 0.003 0.000 0.277 203 R C -2.890 173.324 176.300 -0.144 0.000 0.987 203 R CA -1.789 54.238 56.100 -0.123 0.000 0.901 203 R CB 1.319 31.534 30.300 -0.142 0.000 1.207 203 R HN 0.706 nan 8.270 nan 0.000 0.463 204 P HA 0.108 nan 4.420 nan 0.000 0.271 204 P C -0.160 176.953 177.300 -0.311 0.000 1.216 204 P CA -0.336 62.586 63.100 -0.297 0.000 0.776 204 P CB 0.705 32.020 31.700 -0.641 0.000 0.881 205 V N 4.089 123.902 119.914 -0.169 0.000 2.521 205 V HA 0.022 4.144 4.120 0.003 0.000 0.286 205 V C 0.820 176.834 176.094 -0.133 0.000 1.034 205 V CA 0.001 62.242 62.300 -0.098 0.000 1.045 205 V CB 0.070 31.892 31.823 -0.002 0.000 0.974 205 V HN 0.351 nan 8.190 nan 0.000 0.480 206 L N 5.531 126.667 121.223 -0.145 0.000 2.265 206 L HA 0.806 5.148 4.340 0.003 0.000 0.289 206 L C 0.595 177.512 176.870 0.078 0.000 1.033 206 L CA -0.040 54.692 54.840 -0.180 0.000 0.814 206 L CB 0.996 42.652 42.059 -0.671 0.000 1.203 206 L HN 0.932 nan 8.230 nan 0.000 0.423 207 G N 1.308 110.226 108.800 0.197 0.000 2.640 207 G HA2 0.317 4.279 3.960 0.003 0.000 0.686 207 G HA3 0.317 4.279 3.960 0.003 0.000 0.686 207 G C 0.251 175.255 174.900 0.174 0.000 1.229 207 G CA -0.305 44.936 45.100 0.235 0.000 0.796 207 G HN 1.046 nan 8.290 nan 0.000 0.654 208 G N -1.248 107.642 108.800 0.150 0.000 2.157 208 G HA2 0.267 4.229 3.960 0.003 0.000 0.248 208 G HA3 0.267 4.229 3.960 0.003 0.000 0.248 208 G C 0.764 175.728 174.900 0.107 0.000 0.979 208 G CA 1.516 46.678 45.100 0.104 0.000 0.650 208 G HN 2.803 nan 8.290 nan 0.000 0.529 209 S N -1.532 114.253 115.700 0.141 0.000 2.618 209 S HA 0.765 5.237 4.470 0.003 0.000 0.277 209 S C 1.107 175.770 174.600 0.103 0.000 1.138 209 S CA 0.689 58.957 58.200 0.113 0.000 0.844 209 S CB 1.522 64.802 63.200 0.134 0.000 1.127 209 S HN 1.332 nan 8.310 nan 0.000 0.474 210 S N 0.519 116.250 115.700 0.052 0.000 2.436 210 S HA -0.040 4.432 4.470 0.003 0.000 0.228 210 S C 1.474 176.062 174.600 -0.020 0.000 1.014 210 S CA 1.250 59.470 58.200 0.034 0.000 0.950 210 S CB -1.114 62.094 63.200 0.014 0.000 0.784 210 S HN 0.766 nan 8.310 nan 0.000 0.504 211 T N 1.282 115.772 114.554 -0.106 0.000 2.770 211 T HA 0.152 4.504 4.350 0.003 0.000 0.263 211 T C -0.141 174.259 174.700 -0.501 0.000 1.039 211 T CA 0.906 62.782 62.100 -0.373 0.000 1.142 211 T CB -0.323 68.219 68.868 -0.542 0.000 0.868 211 T HN 0.464 nan 8.240 nan 0.000 0.435 212 F N 2.567 122.579 119.950 0.102 0.000 2.550 212 F HA 0.361 4.890 4.527 0.003 0.000 0.348 212 F C -2.470 173.435 175.800 0.175 0.000 1.219 212 F CA -3.390 54.681 58.000 0.118 0.000 1.203 212 F CB 0.899 39.932 39.000 0.056 0.000 1.436 212 F HN -0.077 nan 8.300 nan 0.000 0.541 213 P HA 0.181 nan 4.420 nan 0.000 0.274 213 P C -1.157 176.498 177.300 0.591 0.000 1.231 213 P CA 0.001 63.370 63.100 0.448 0.000 0.790 213 P CB 1.829 33.785 31.700 0.427 0.000 0.951 214 Y N 0.835 121.239 120.300 0.173 0.000 2.583 214 Y HA 0.293 4.844 4.550 0.003 0.000 0.330 214 Y C -2.645 172.983 175.900 -0.454 0.000 1.185 214 Y CA -1.942 55.939 58.100 -0.365 0.000 1.107 214 Y CB 1.526 39.866 38.460 -0.199 0.000 1.344 214 Y HN 0.268 nan 8.280 nan 0.000 0.463 215 P HA 0.229 nan 4.420 nan 0.000 0.269 215 P C -0.656 176.521 177.300 -0.205 0.000 1.215 215 P CA -0.184 62.470 63.100 -0.744 0.000 0.780 215 P CB 0.577 31.700 31.700 -0.962 0.000 0.898 216 R N 2.061 122.455 120.500 -0.177 0.000 2.577 216 R HA 0.459 4.801 4.340 0.003 0.000 0.269 216 R C 0.734 177.073 176.300 0.065 0.000 1.084 216 R CA -0.311 55.809 56.100 0.034 0.000 1.163 216 R CB 0.429 30.740 30.300 0.019 0.000 1.100 216 R HN 0.618 nan 8.270 nan 0.000 0.547 217 R N -1.366 119.129 120.500 -0.007 0.000 2.950 217 R HA 0.577 4.919 4.340 0.003 0.000 0.253 217 R C -0.110 176.141 176.300 -0.081 0.000 1.168 217 R CA -0.805 55.230 56.100 -0.109 0.000 1.014 217 R CB -0.274 29.749 30.300 -0.462 0.000 1.228 217 R HN 0.596 nan 8.270 nan 0.000 0.487 218 G N 0.509 109.256 108.800 -0.088 0.000 2.378 218 G HA2 0.216 4.177 3.960 0.003 0.000 0.255 218 G HA3 0.216 4.177 3.960 0.003 0.000 0.255 218 G C -0.662 174.197 174.900 -0.068 0.000 1.270 218 G CA -0.586 44.464 45.100 -0.084 0.000 0.876 218 G HN 0.563 nan 8.290 nan 0.000 0.521 219 R N 1.020 121.486 120.500 -0.057 0.000 2.537 219 R HA 0.203 4.545 4.340 0.003 0.000 0.280 219 R C 1.293 177.570 176.300 -0.039 0.000 1.058 219 R CA 0.673 56.738 56.100 -0.058 0.000 1.057 219 R CB 0.468 30.735 30.300 -0.056 0.000 0.973 219 R HN 0.610 nan 8.270 nan 0.000 0.438 220 T N 0.174 114.667 114.554 -0.102 0.000 2.987 220 T HA 0.181 4.533 4.350 0.003 0.000 0.248 220 T C 1.232 175.788 174.700 -0.239 0.000 0.997 220 T CA 0.332 62.345 62.100 -0.144 0.000 1.013 220 T CB 0.349 69.117 68.868 -0.167 0.000 1.077 220 T HN 0.752 nan 8.240 nan 0.000 0.483 221 G N 2.479 111.162 108.800 -0.194 0.000 2.249 221 G HA2 -0.319 3.643 3.960 0.003 0.000 0.273 221 G HA3 -0.319 3.643 3.960 0.003 0.000 0.273 221 G C 0.796 175.589 174.900 -0.179 0.000 1.036 221 G CA 0.439 45.432 45.100 -0.179 0.000 0.824 221 G HN 0.562 nan 8.290 nan 0.000 0.504 222 R N 0.081 120.466 120.500 -0.192 0.000 2.280 222 R HA 0.327 4.669 4.340 0.003 0.000 0.207 222 R C 1.686 177.907 176.300 -0.132 0.000 1.043 222 R CA 0.808 56.804 56.100 -0.173 0.000 1.006 222 R CB -0.059 30.118 30.300 -0.204 0.000 0.885 222 R HN 1.622 nan 8.270 nan 0.000 0.467 223 G N 1.355 110.083 108.800 -0.120 0.000 2.707 223 G HA2 -0.171 3.791 3.960 0.003 0.000 0.686 223 G HA3 -0.171 3.791 3.960 0.003 0.000 0.686 223 G C -2.808 172.043 174.900 -0.082 0.000 1.315 223 G CA -1.021 44.025 45.100 -0.090 0.000 0.832 223 G HN -0.030 nan 8.290 nan 0.000 0.573 224 P HA 0.339 nan 4.420 nan 0.000 0.272 224 P C 0.891 178.162 177.300 -0.049 0.000 1.230 224 P CA 0.577 63.645 63.100 -0.053 0.000 0.788 224 P CB 0.607 32.283 31.700 -0.041 0.000 0.949 225 T N -1.897 112.631 114.554 -0.043 0.000 2.754 225 T HA 0.123 4.475 4.350 0.003 0.000 0.286 225 T C 1.489 176.172 174.700 -0.030 0.000 0.997 225 T CA -0.592 61.486 62.100 -0.037 0.000 0.982 225 T CB -0.172 68.677 68.868 -0.032 0.000 1.027 225 T HN 0.119 nan 8.240 nan 0.000 0.529 226 V N 1.222 121.121 119.914 -0.026 0.000 2.591 226 V HA -0.057 4.065 4.120 0.003 0.000 0.249 226 V C 2.906 178.989 176.094 -0.018 0.000 1.053 226 V CA 1.951 64.238 62.300 -0.022 0.000 1.068 226 V CB -1.168 30.643 31.823 -0.019 0.000 0.689 226 V HN 1.160 nan 8.190 nan 0.000 0.462 227 T N -3.285 111.258 114.554 -0.018 0.000 3.037 227 T HA 0.084 4.436 4.350 0.003 0.000 0.251 227 T C 0.375 175.066 174.700 -0.015 0.000 1.079 227 T CA 0.423 62.514 62.100 -0.015 0.000 1.067 227 T CB 0.233 69.092 68.868 -0.014 0.000 0.948 227 T HN 0.389 nan 8.240 nan 0.000 0.496 228 D N 1.583 121.973 120.400 -0.018 0.000 2.602 228 D HA 0.324 4.966 4.640 0.003 0.000 0.245 228 D C -2.173 174.115 176.300 -0.019 0.000 1.325 228 D CA -2.356 51.634 54.000 -0.016 0.000 0.952 228 D CB 2.325 43.115 40.800 -0.017 0.000 1.317 228 D HN -0.141 nan 8.370 nan 0.000 0.577 229 P HA -0.061 nan 4.420 nan 0.000 0.225 229 P C 0.262 177.551 177.300 -0.020 0.000 1.148 229 P CA 0.771 63.860 63.100 -0.019 0.000 0.779 229 P CB 0.348 32.039 31.700 -0.014 0.000 0.780 230 N N -1.228 117.463 118.700 -0.015 0.000 2.353 230 N HA 0.035 4.777 4.740 0.003 0.000 0.185 230 N C -0.051 175.446 175.510 -0.022 0.000 1.098 230 N CA 0.205 53.247 53.050 -0.013 0.000 0.872 230 N CB 0.181 38.668 38.487 -0.001 0.000 0.970 230 N HN 0.042 nan 8.380 nan 0.000 0.467 231 T N 0.454 114.991 114.554 -0.029 0.000 2.823 231 T HA 0.141 4.493 4.350 0.003 0.000 0.279 231 T C -0.451 174.218 174.700 -0.051 0.000 0.998 231 T CA -0.567 61.510 62.100 -0.038 0.000 0.994 231 T CB 2.314 71.161 68.868 -0.035 0.000 0.960 231 T HN 0.044 nan 8.240 nan 0.000 0.448 232 E N 2.969 123.128 120.200 -0.068 0.000 2.316 232 E HA 0.171 4.523 4.350 0.003 0.000 0.275 232 E C 0.285 176.826 176.600 -0.098 0.000 1.029 232 E CA -0.764 55.578 56.400 -0.098 0.000 0.871 232 E CB 0.557 30.172 29.700 -0.141 0.000 1.022 232 E HN 0.536 nan 8.360 nan 0.000 0.418 233 K N 3.685 124.028 120.400 -0.096 0.000 2.336 233 K HA 0.026 4.348 4.320 0.003 0.000 0.262 233 K C 0.002 176.547 176.600 -0.093 0.000 0.992 233 K CA -0.487 55.754 56.287 -0.078 0.000 0.927 233 K CB 0.479 32.937 32.500 -0.070 0.000 0.956 233 K HN 0.372 nan 8.250 nan 0.000 0.495 234 Q N -0.052 119.724 119.800 -0.040 0.000 2.454 234 Q HA 0.265 4.607 4.340 0.003 0.000 0.247 234 Q C 0.157 176.151 176.000 -0.010 0.000 1.028 234 Q CA 0.340 56.150 55.803 0.012 0.000 0.910 234 Q CB 1.299 30.062 28.738 0.041 0.000 1.276 234 Q HN 0.882 nan 8.270 nan 0.000 0.489 235 G N 0.369 109.218 108.800 0.082 0.000 2.733 235 G HA2 0.264 4.225 3.960 0.003 0.000 0.297 235 G HA3 0.264 4.225 3.960 0.003 0.000 0.297 235 G C 0.016 175.026 174.900 0.184 0.000 1.422 235 G CA -0.470 44.666 45.100 0.061 0.000 0.942 235 G HN 0.373 nan 8.290 nan 0.000 0.510 236 E N -0.348 119.912 120.200 0.101 0.000 2.208 236 E HA -0.012 4.340 4.350 0.003 0.000 0.193 236 E C 0.723 177.395 176.600 0.120 0.000 0.988 236 E CA 0.823 57.276 56.400 0.088 0.000 0.828 236 E CB 0.382 30.106 29.700 0.039 0.000 0.763 236 E HN 0.190 nan 8.360 nan 0.000 0.478 237 V N 1.810 121.818 119.914 0.156 0.000 2.525 237 V HA 0.199 4.321 4.120 0.003 0.000 0.299 237 V C -0.864 175.407 176.094 0.295 0.000 1.034 237 V CA -0.715 61.690 62.300 0.176 0.000 0.863 237 V CB 1.392 33.261 31.823 0.077 0.000 0.999 237 V HN -0.090 nan 8.190 nan 0.000 0.423 238 F N 4.786 124.727 119.950 -0.016 0.000 2.413 238 F HA 0.374 4.903 4.527 0.003 0.000 0.359 238 F C 0.192 175.996 175.800 0.007 0.000 1.122 238 F CA -1.094 56.903 58.000 -0.006 0.000 1.160 238 F CB 0.361 39.348 39.000 -0.022 0.000 1.146 238 F HN 0.589 nan 8.300 nan 0.000 0.514 239 Y N 4.915 125.207 120.300 -0.014 0.000 2.578 239 Y HA 0.428 4.980 4.550 0.003 0.000 0.339 239 Y C -0.483 175.368 175.900 -0.082 0.000 1.231 239 Y CA -0.691 57.361 58.100 -0.080 0.000 1.461 239 Y CB 0.597 38.961 38.460 -0.159 0.000 1.323 239 Y HN 0.356 nan 8.280 nan 0.000 0.590 240 V N 3.214 122.549 119.914 -0.966 0.000 2.925 240 V HA 0.612 4.734 4.120 0.003 0.000 0.311 240 V C -2.923 172.295 176.094 -1.460 0.000 1.104 240 V CA -3.068 58.619 62.300 -1.021 0.000 0.954 240 V CB 1.611 33.183 31.823 -0.418 0.000 1.022 240 V HN 0.698 nan 8.190 nan 0.000 0.427 241 P HA 0.103 nan 4.420 nan 0.000 0.263 241 P C 0.580 177.644 177.300 -0.393 0.000 1.175 241 P CA 0.264 62.898 63.100 -0.776 0.000 0.761 241 P CB 0.506 31.528 31.700 -1.131 0.000 0.794 242 R N 3.683 124.096 120.500 -0.145 0.000 2.134 242 R HA -0.214 4.128 4.340 0.003 0.000 0.248 242 R C 1.042 177.436 176.300 0.158 0.000 1.143 242 R CA 2.106 58.219 56.100 0.022 0.000 0.957 242 R CB -1.127 29.279 30.300 0.177 0.000 0.867 242 R HN 0.456 nan 8.270 nan 0.000 0.441 243 D N 0.145 120.687 120.400 0.237 0.000 2.363 243 D HA -0.067 4.575 4.640 0.003 0.000 0.226 243 D C 1.027 177.458 176.300 0.218 0.000 1.020 243 D CA 0.461 54.666 54.000 0.341 0.000 0.892 243 D CB 0.100 41.127 40.800 0.379 0.000 0.900 243 D HN 0.334 nan 8.370 nan 0.000 0.531 244 E N 0.361 120.611 120.200 0.083 0.000 2.371 244 E HA -0.049 4.303 4.350 0.003 0.000 0.194 244 E C 0.657 177.278 176.600 0.034 0.000 1.012 244 E CA 0.133 56.559 56.400 0.045 0.000 0.860 244 E CB -0.127 29.535 29.700 -0.063 0.000 0.811 244 E HN 0.105 nan 8.360 nan 0.000 0.502 245 N N 1.563 120.277 118.700 0.022 0.000 2.482 245 N HA 0.056 4.797 4.740 0.003 0.000 0.242 245 N C -0.716 174.821 175.510 0.046 0.000 1.100 245 N CA -0.039 53.017 53.050 0.010 0.000 0.946 245 N CB 0.027 38.489 38.487 -0.043 0.000 1.227 245 N HN -0.038 nan 8.380 nan 0.000 0.508 246 L N 2.320 123.551 121.223 0.013 0.000 2.418 246 L HA 0.301 4.643 4.340 0.003 0.000 0.274 246 L C 1.512 178.212 176.870 -0.284 0.000 1.135 246 L CA -0.649 54.127 54.840 -0.106 0.000 0.870 246 L CB 0.287 42.261 42.059 -0.141 0.000 1.154 246 L HN 0.425 nan 8.230 nan 0.000 0.462 247 G N 2.654 111.321 108.800 -0.222 0.000 2.562 247 G HA2 0.387 4.349 3.960 0.003 0.000 0.275 247 G HA3 0.387 4.349 3.960 0.003 0.000 0.275 247 G C -0.554 174.051 174.900 -0.491 0.000 1.196 247 G CA -0.341 44.651 45.100 -0.180 0.000 0.908 247 G HN 0.650 nan 8.290 nan 0.000 0.524 248 H N 0.201 119.291 119.070 0.033 0.000 2.894 248 H HA 0.219 4.777 4.556 0.003 0.000 0.367 248 H C 0.700 176.046 175.328 0.030 0.000 1.144 248 H CA -0.606 55.456 56.048 0.024 0.000 1.180 248 H CB 2.248 32.028 29.762 0.031 0.000 1.758 248 H HN 0.259 nan 8.280 nan 0.000 0.541 249 L N 0.686 121.990 121.223 0.136 0.000 2.156 249 L HA -0.014 4.328 4.340 0.003 0.000 0.208 249 L C 0.364 177.291 176.870 0.095 0.000 1.095 249 L CA 1.387 56.284 54.840 0.094 0.000 0.770 249 L CB -0.052 42.049 42.059 0.069 0.000 0.914 249 L HN 0.206 nan 8.230 nan 0.000 0.439 250 K N -0.881 119.583 120.400 0.106 0.000 2.274 250 K HA 0.184 4.506 4.320 0.003 0.000 0.262 250 K C 0.783 177.418 176.600 0.057 0.000 0.961 250 K CA -0.183 56.145 56.287 0.068 0.000 0.833 250 K CB 2.143 34.671 32.500 0.047 0.000 1.102 250 K HN -0.277 nan 8.250 nan 0.000 0.436 251 S N 2.858 118.583 115.700 0.043 0.000 2.419 251 S HA -0.164 4.308 4.470 0.003 0.000 0.235 251 S C 1.571 176.160 174.600 -0.020 0.000 1.019 251 S CA 1.585 59.800 58.200 0.025 0.000 0.982 251 S CB -0.016 63.200 63.200 0.025 0.000 0.789 251 S HN 0.681 nan 8.310 nan 0.000 0.490 252 K N -0.187 120.201 120.400 -0.020 0.000 2.362 252 K HA -0.029 4.293 4.320 0.003 0.000 0.200 252 K C 0.652 177.205 176.600 -0.079 0.000 1.046 252 K CA 1.422 57.686 56.287 -0.038 0.000 0.952 252 K CB -0.177 32.311 32.500 -0.020 0.000 0.753 252 K HN 0.201 nan 8.250 nan 0.000 0.466 253 D N 1.272 121.598 120.400 -0.124 0.000 2.340 253 D HA 0.071 4.713 4.640 0.003 0.000 0.220 253 D C 0.218 176.147 176.300 -0.619 0.000 1.039 253 D CA 0.318 54.167 54.000 -0.251 0.000 0.866 253 D CB 0.571 41.275 40.800 -0.160 0.000 0.913 253 D HN 0.366 nan 8.370 nan 0.000 0.523 254 A N 0.915 123.456 122.820 -0.465 0.000 3.135 254 A HA 0.193 4.515 4.320 0.003 0.000 0.253 254 A C 1.663 179.157 177.584 -0.151 0.000 1.638 254 A CA -0.223 51.581 52.037 -0.388 0.000 1.295 254 A CB -0.910 18.058 19.000 -0.053 0.000 1.106 254 A HN 0.168 nan 8.150 nan 0.000 0.648 255 L N 0.269 121.406 121.223 -0.143 0.000 2.081 255 L HA -0.237 4.105 4.340 0.003 0.000 0.212 255 L C 2.801 179.677 176.870 0.009 0.000 1.080 255 L CA 1.738 56.556 54.840 -0.038 0.000 0.754 255 L CB -0.385 41.676 42.059 0.004 0.000 0.893 255 L HN 0.764 nan 8.230 nan 0.000 0.433 256 E N 1.500 121.721 120.200 0.035 0.000 2.265 256 E HA -0.243 4.109 4.350 0.003 0.000 0.196 256 E C 1.949 178.566 176.600 0.029 0.000 0.996 256 E CA 1.739 58.174 56.400 0.058 0.000 0.832 256 E CB -0.567 29.190 29.700 0.094 0.000 0.756 256 E HN 0.803 nan 8.360 nan 0.000 0.491 257 I N -1.756 118.824 120.570 0.017 0.000 3.111 257 I HA 0.198 4.370 4.170 0.003 0.000 0.272 257 I C 2.181 178.293 176.117 -0.009 0.000 1.268 257 I CA 0.796 62.097 61.300 0.002 0.000 1.467 257 I CB -0.389 37.615 38.000 0.006 0.000 1.087 257 I HN -0.039 nan 8.210 nan 0.000 0.467 258 G N 2.088 110.885 108.800 -0.005 0.000 2.440 258 G HA2 -0.315 3.647 3.960 0.003 0.000 0.218 258 G HA3 -0.315 3.647 3.960 0.003 0.000 0.218 258 G C 1.756 176.654 174.900 -0.004 0.000 1.154 258 G CA 1.739 46.835 45.100 -0.006 0.000 0.767 258 G HN 0.554 nan 8.290 nan 0.000 0.552 259 T N -0.795 113.755 114.554 -0.007 0.000 2.788 259 T HA -0.075 4.277 4.350 0.003 0.000 0.268 259 T C 2.140 176.818 174.700 -0.037 0.000 1.044 259 T CA 1.723 63.812 62.100 -0.017 0.000 1.139 259 T CB -0.215 68.632 68.868 -0.034 0.000 0.867 259 T HN 0.378 nan 8.240 nan 0.000 0.454 260 K N 0.906 121.276 120.400 -0.050 0.000 2.026 260 K HA -0.069 4.253 4.320 0.003 0.000 0.208 260 K C 2.638 179.210 176.600 -0.046 0.000 1.048 260 K CA 1.499 57.747 56.287 -0.065 0.000 0.929 260 K CB -0.304 32.155 32.500 -0.070 0.000 0.713 260 K HN 0.362 nan 8.250 nan 0.000 0.439 261 S N 1.241 116.921 115.700 -0.033 0.000 2.368 261 S HA -0.148 4.324 4.470 0.003 0.000 0.225 261 S C 1.725 176.308 174.600 -0.029 0.000 1.030 261 S CA 1.098 59.280 58.200 -0.030 0.000 0.999 261 S CB -0.292 62.895 63.200 -0.022 0.000 0.844 261 S HN 0.261 nan 8.310 nan 0.000 0.459 262 L N 1.605 122.821 121.223 -0.012 0.000 2.017 262 L HA -0.034 4.308 4.340 0.003 0.000 0.208 262 L C 2.444 179.312 176.870 -0.003 0.000 1.073 262 L CA 1.966 56.811 54.840 0.008 0.000 0.745 262 L CB -1.089 41.001 42.059 0.051 0.000 0.894 262 L HN 0.280 nan 8.230 nan 0.000 0.432 263 S N -1.445 114.246 115.700 -0.015 0.000 2.368 263 S HA -0.188 4.284 4.470 0.003 0.000 0.224 263 S C 1.898 176.479 174.600 -0.033 0.000 1.029 263 S CA 1.474 59.660 58.200 -0.024 0.000 0.988 263 S CB -0.135 63.037 63.200 -0.046 0.000 0.838 263 S HN 0.680 nan 8.310 nan 0.000 0.462 264 Q N -0.629 119.146 119.800 -0.041 0.000 2.302 264 Q HA 0.242 4.584 4.340 0.003 0.000 0.202 264 Q C 1.749 177.722 176.000 -0.044 0.000 0.936 264 Q CA 0.911 56.689 55.803 -0.041 0.000 0.886 264 Q CB 0.191 28.903 28.738 -0.043 0.000 0.986 264 Q HN 0.568 nan 8.270 nan 0.000 0.487 265 I N -1.400 119.137 120.570 -0.054 0.000 3.366 265 I HA -0.066 4.106 4.170 0.003 0.000 0.267 265 I C 1.881 177.930 176.117 -0.115 0.000 1.149 265 I CA 0.223 61.481 61.300 -0.070 0.000 1.436 265 I CB 0.199 38.161 38.000 -0.063 0.000 1.379 265 I HN -0.100 nan 8.210 nan 0.000 0.460 266 V N 0.951 120.779 119.914 -0.144 0.000 2.307 266 V HA -0.271 3.851 4.120 0.003 0.000 0.245 266 V C 2.443 178.343 176.094 -0.324 0.000 1.045 266 V CA 1.975 64.094 62.300 -0.302 0.000 1.024 266 V CB -0.741 30.912 31.823 -0.284 0.000 0.651 266 V HN 0.456 nan 8.190 nan 0.000 0.449 267 Q N 0.081 119.820 119.800 -0.102 0.000 2.077 267 Q HA -0.222 4.120 4.340 0.003 0.000 0.206 267 Q C -0.064 175.955 176.000 0.033 0.000 0.989 267 Q CA 2.455 58.280 55.803 0.037 0.000 0.853 267 Q CB -0.939 27.828 28.738 0.049 0.000 0.907 267 Q HN 0.485 nan 8.270 nan 0.000 0.418 268 P HA -0.112 nan 4.420 nan 0.000 0.217 268 P C 0.641 177.948 177.300 0.012 0.000 1.150 268 P CA 1.943 65.044 63.100 0.002 0.000 0.832 268 P CB -0.159 31.530 31.700 -0.019 0.000 0.787 269 A N -1.297 121.491 122.820 -0.052 0.000 1.902 269 A HA -0.189 4.133 4.320 0.003 0.000 0.217 269 A C 1.910 179.539 177.584 0.076 0.000 1.181 269 A CA 1.420 53.424 52.037 -0.055 0.000 0.623 269 A CB -1.735 17.155 19.000 -0.183 0.000 0.818 269 A HN 0.037 nan 8.150 nan 0.000 0.443 270 F N 0.493 120.484 119.950 0.068 0.000 2.134 270 F HA -0.100 4.429 4.527 0.003 0.000 0.299 270 F C 2.398 178.333 175.800 0.227 0.000 1.097 270 F CA 1.288 59.376 58.000 0.146 0.000 1.264 270 F CB -0.960 38.103 39.000 0.104 0.000 1.001 270 F HN 0.364 nan 8.300 nan 0.000 0.479 271 E N -0.102 120.277 120.200 0.297 0.000 2.085 271 E HA -0.214 4.138 4.350 0.003 0.000 0.194 271 E C 2.328 179.060 176.600 0.220 0.000 0.994 271 E CA 1.746 58.263 56.400 0.194 0.000 0.801 271 E CB -0.355 29.393 29.700 0.081 0.000 0.743 271 E HN 0.424 nan 8.360 nan 0.000 0.453 272 S N 1.119 116.917 115.700 0.164 0.000 2.382 272 S HA -0.126 4.346 4.470 0.003 0.000 0.228 272 S C 2.271 176.946 174.600 0.125 0.000 1.027 272 S CA 0.923 59.191 58.200 0.114 0.000 0.991 272 S CB -0.248 62.993 63.200 0.069 0.000 0.823 272 S HN 0.293 nan 8.310 nan 0.000 0.469 273 A N 0.684 123.604 122.820 0.167 0.000 1.972 273 A HA 0.128 4.450 4.320 0.003 0.000 0.219 273 A C 1.851 179.410 177.584 -0.041 0.000 1.169 273 A CA 1.287 53.361 52.037 0.062 0.000 0.635 273 A CB -0.904 18.139 19.000 0.071 0.000 0.810 273 A HN 0.558 nan 8.150 nan 0.000 0.446 274 F N 0.197 120.157 119.950 0.016 0.000 2.270 274 F HA -0.021 4.508 4.527 0.003 0.000 0.295 274 F C 1.956 177.750 175.800 -0.009 0.000 1.087 274 F CA 1.174 59.167 58.000 -0.013 0.000 1.365 274 F CB -0.166 38.816 39.000 -0.031 0.000 1.056 274 F HN 0.165 nan 8.300 nan 0.000 0.506 275 D N 0.219 120.725 120.400 0.177 0.000 2.178 275 D HA -0.084 4.557 4.640 0.003 0.000 0.202 275 D C 2.204 178.533 176.300 0.050 0.000 0.974 275 D CA 1.104 55.160 54.000 0.094 0.000 0.841 275 D CB -0.306 40.539 40.800 0.075 0.000 0.953 275 D HN 0.256 nan 8.370 nan 0.000 0.478 276 L N 0.034 121.279 121.223 0.035 0.000 2.554 276 L HA 0.062 4.404 4.340 0.003 0.000 0.226 276 L C 0.348 177.209 176.870 -0.015 0.000 1.137 276 L CA 0.176 55.021 54.840 0.009 0.000 0.863 276 L CB -0.212 41.851 42.059 0.007 0.000 0.985 276 L HN -0.050 nan 8.230 nan 0.000 0.451 277 K N -0.466 119.915 120.400 -0.030 0.000 3.125 277 K HA -0.165 4.157 4.320 0.003 0.000 0.268 277 K C 0.850 177.395 176.600 -0.092 0.000 1.078 277 K CA 0.422 56.671 56.287 -0.063 0.000 0.775 277 K CB -1.932 30.550 32.500 -0.030 0.000 1.253 277 K HN 0.213 nan 8.250 nan 0.000 0.486 278 S N -0.510 115.115 115.700 -0.125 0.000 2.548 278 S HA -0.002 4.470 4.470 0.003 0.000 0.215 278 S C 0.655 175.154 174.600 -0.170 0.000 0.976 278 S CA 0.497 58.629 58.200 -0.115 0.000 0.908 278 S CB 0.773 63.926 63.200 -0.079 0.000 0.781 278 S HN 0.490 nan 8.310 nan 0.000 0.519 279 T N 2.123 116.507 114.554 -0.284 0.000 2.916 279 T HA 0.451 4.803 4.350 0.003 0.000 0.305 279 T C -3.155 171.341 174.700 -0.340 0.000 1.119 279 T CA -1.973 59.927 62.100 -0.334 0.000 1.008 279 T CB 1.249 69.815 68.868 -0.504 0.000 1.129 279 T HN -0.249 nan 8.240 nan 0.000 0.480 280 P HA 0.150 nan 4.420 nan 0.000 0.266 280 P C 0.914 178.131 177.300 -0.139 0.000 1.195 280 P CA -0.371 62.678 63.100 -0.086 0.000 0.768 280 P CB 0.330 32.054 31.700 0.040 0.000 0.838 281 I N 0.392 120.949 120.570 -0.022 0.000 2.439 281 I HA -0.037 4.134 4.170 0.003 0.000 0.251 281 I C 1.044 177.162 176.117 0.002 0.000 1.139 281 I CA 1.587 62.951 61.300 0.107 0.000 1.438 281 I CB -0.917 37.150 38.000 0.111 0.000 1.085 281 I HN 0.385 nan 8.210 nan 0.000 0.427 282 E N -0.067 120.033 120.200 -0.166 0.000 2.299 282 E HA 0.385 4.737 4.350 0.003 0.000 0.265 282 E C -1.107 175.181 176.600 -0.520 0.000 0.911 282 E CA -0.898 55.288 56.400 -0.358 0.000 0.789 282 E CB 2.116 31.611 29.700 -0.340 0.000 1.246 282 E HN -0.166 nan 8.360 nan 0.000 0.427 283 F N 1.290 121.062 119.950 -0.297 0.000 2.429 283 F HA 0.118 4.647 4.527 0.003 0.000 0.348 283 F C 1.847 177.416 175.800 -0.384 0.000 1.109 283 F CA 0.142 58.000 58.000 -0.236 0.000 1.232 283 F CB 0.496 39.430 39.000 -0.110 0.000 1.157 283 F HN 0.415 nan 8.300 nan 0.000 0.564 284 H N -0.154 119.038 119.070 0.204 0.000 2.874 284 H HA 0.220 4.778 4.556 0.003 0.000 0.264 284 H C 0.214 175.569 175.328 0.045 0.000 1.007 284 H CA 0.588 56.693 56.048 0.095 0.000 1.207 284 H CB 0.724 30.517 29.762 0.052 0.000 1.487 284 H HN 0.505 nan 8.280 nan 0.000 0.505 285 S N -1.135 114.646 115.700 0.136 0.000 2.588 285 S HA 0.204 4.676 4.470 0.003 0.000 0.269 285 S C 0.139 174.802 174.600 0.105 0.000 1.157 285 S CA -0.744 57.474 58.200 0.031 0.000 0.824 285 S CB 0.671 63.883 63.200 0.021 0.000 1.126 285 S HN -0.181 nan 8.310 nan 0.000 0.464 286 F N 1.256 121.151 119.950 -0.092 0.000 2.216 286 F HA 0.023 4.552 4.527 0.003 0.000 0.300 286 F C 2.722 178.402 175.800 -0.200 0.000 1.085 286 F CA 1.494 59.382 58.000 -0.187 0.000 1.326 286 F CB -1.156 37.828 39.000 -0.026 0.000 1.027 286 F HN 0.741 nan 8.300 nan 0.000 0.497 287 Q N 0.853 120.775 119.800 0.204 0.000 2.226 287 Q HA -0.170 4.172 4.340 0.003 0.000 0.204 287 Q C 1.501 177.517 176.000 0.026 0.000 0.975 287 Q CA 1.678 57.591 55.803 0.185 0.000 0.866 287 Q CB -0.471 28.347 28.738 0.134 0.000 0.915 287 Q HN 0.238 nan 8.270 nan 0.000 0.440 288 D N -1.094 119.308 120.400 0.002 0.000 2.178 288 D HA -0.111 4.531 4.640 0.003 0.000 0.201 288 D C 1.695 177.900 176.300 -0.158 0.000 0.980 288 D CA 1.130 55.144 54.000 0.024 0.000 0.842 288 D CB 0.080 40.996 40.800 0.193 0.000 0.948 288 D HN 0.192 nan 8.370 nan 0.000 0.472 289 V N 1.047 120.664 119.914 -0.496 0.000 2.346 289 V HA -0.168 3.954 4.120 0.003 0.000 0.244 289 V C 2.192 177.985 176.094 -0.501 0.000 1.037 289 V CA 1.215 63.055 62.300 -0.767 0.000 1.029 289 V CB -0.529 30.674 31.823 -1.033 0.000 0.663 289 V HN 0.272 nan 8.190 nan 0.000 0.454 290 H N 0.190 119.062 119.070 -0.330 0.000 2.422 290 H HA -0.151 4.407 4.556 0.003 0.000 0.298 290 H C 2.131 177.016 175.328 -0.739 0.000 1.098 290 H CA 1.612 57.327 56.048 -0.555 0.000 1.315 290 H CB -0.339 29.263 29.762 -0.266 0.000 1.382 290 H HN 0.434 nan 8.280 nan 0.000 0.523 291 D N 0.776 121.031 120.400 -0.242 0.000 2.182 291 D HA -0.112 4.530 4.640 0.003 0.000 0.201 291 D C 2.395 178.614 176.300 -0.136 0.000 0.986 291 D CA 0.341 54.249 54.000 -0.154 0.000 0.847 291 D CB -0.250 40.530 40.800 -0.033 0.000 0.942 291 D HN 0.338 nan 8.370 nan 0.000 0.467 292 L N 0.034 121.181 121.223 -0.126 0.000 2.127 292 L HA -0.199 4.143 4.340 0.003 0.000 0.211 292 L C 1.857 178.870 176.870 0.239 0.000 1.089 292 L CA 1.130 56.031 54.840 0.102 0.000 0.757 292 L CB -0.526 41.574 42.059 0.068 0.000 0.899 292 L HN 0.250 nan 8.230 nan 0.000 0.434 293 Y N -2.858 117.559 120.300 0.196 0.000 2.584 293 Y HA 0.398 4.950 4.550 0.003 0.000 0.254 293 Y C 1.316 177.301 175.900 0.143 0.000 1.177 293 Y CA -0.752 57.474 58.100 0.212 0.000 1.216 293 Y CB -0.481 38.094 38.460 0.191 0.000 1.172 293 Y HN 0.070 nan 8.280 nan 0.000 0.529 294 E N 0.848 121.019 120.200 -0.048 0.000 2.933 294 E HA 0.250 4.602 4.350 0.003 0.000 0.301 294 E C 1.938 178.565 176.600 0.045 0.000 0.836 294 E CA 0.183 56.588 56.400 0.007 0.000 1.213 294 E CB -0.441 29.206 29.700 -0.087 0.000 2.349 294 E HN 0.286 nan 8.360 nan 0.000 0.558 295 G N 0.181 108.993 108.800 0.019 0.000 2.484 295 G HA2 0.255 4.216 3.960 0.003 0.000 0.218 295 G HA3 0.255 4.216 3.960 0.003 0.000 0.218 295 G C 0.706 175.642 174.900 0.060 0.000 1.130 295 G CA 0.674 45.796 45.100 0.038 0.000 0.784 295 G HN 0.597 nan 8.290 nan 0.000 0.543 296 G N -0.829 108.015 108.800 0.074 0.000 2.610 296 G HA2 -0.080 3.882 3.960 0.003 0.000 0.304 296 G HA3 -0.080 3.882 3.960 0.003 0.000 0.304 296 G C -0.708 174.257 174.900 0.108 0.000 1.309 296 G CA -0.235 44.937 45.100 0.120 0.000 0.906 296 G HN 0.809 nan 8.290 nan 0.000 0.521 297 I N 0.102 120.748 120.570 0.125 0.000 2.474 297 I HA 0.607 4.778 4.170 0.003 0.000 0.294 297 I C 0.023 176.178 176.117 0.064 0.000 1.005 297 I CA -1.142 60.216 61.300 0.096 0.000 1.113 297 I CB 1.277 39.354 38.000 0.128 0.000 1.289 297 I HN 0.522 nan 8.210 nan 0.000 0.436 298 K N 7.934 128.356 120.400 0.036 0.000 2.227 298 K HA 0.572 4.894 4.320 0.003 0.000 0.280 298 K C -1.213 175.403 176.600 0.027 0.000 1.041 298 K CA -0.391 55.918 56.287 0.036 0.000 0.905 298 K CB 1.410 33.908 32.500 -0.003 0.000 1.068 298 K HN 0.507 nan 8.250 nan 0.000 0.470 299 L N 3.621 124.889 121.223 0.075 0.000 2.309 299 L HA 0.505 4.847 4.340 0.003 0.000 0.261 299 L C -2.407 174.541 176.870 0.130 0.000 1.021 299 L CA -2.789 52.093 54.840 0.071 0.000 0.823 299 L CB 1.877 43.990 42.059 0.091 0.000 1.366 299 L HN 0.338 nan 8.230 nan 0.000 0.423 300 P HA 0.117 nan 4.420 nan 0.000 0.267 300 P C 0.050 177.391 177.300 0.068 0.000 1.200 300 P CA -0.025 63.142 63.100 0.112 0.000 0.772 300 P CB 0.576 32.307 31.700 0.053 0.000 0.855 301 R N 2.285 122.801 120.500 0.026 0.000 2.094 301 R HA -0.198 4.144 4.340 0.003 0.000 0.239 301 R C 1.728 177.971 176.300 -0.095 0.000 1.137 301 R CA 2.186 58.187 56.100 -0.166 0.000 0.943 301 R CB -0.755 29.438 30.300 -0.178 0.000 0.850 301 R HN 0.681 nan 8.270 nan 0.000 0.433 302 D N 0.227 120.600 120.400 -0.045 0.000 2.263 302 D HA -0.108 4.534 4.640 0.003 0.000 0.208 302 D C 1.718 177.993 176.300 -0.042 0.000 0.971 302 D CA 0.952 54.929 54.000 -0.040 0.000 0.867 302 D CB -0.132 40.655 40.800 -0.021 0.000 0.929 302 D HN 0.131 nan 8.370 nan 0.000 0.492 303 V N 1.237 121.134 119.914 -0.029 0.000 2.379 303 V HA -0.174 3.947 4.120 0.003 0.000 0.245 303 V C 2.665 178.717 176.094 -0.070 0.000 1.044 303 V CA 0.734 63.013 62.300 -0.034 0.000 1.036 303 V CB -0.240 31.598 31.823 0.024 0.000 0.664 303 V HN 0.164 nan 8.190 nan 0.000 0.453 304 I N 0.331 120.862 120.570 -0.064 0.000 2.252 304 I HA -0.154 4.018 4.170 0.003 0.000 0.245 304 I C 2.498 178.565 176.117 -0.084 0.000 1.102 304 I CA 1.528 62.778 61.300 -0.084 0.000 1.385 304 I CB -1.299 36.645 38.000 -0.092 0.000 1.064 304 I HN 0.284 nan 8.210 nan 0.000 0.414 305 S N 0.304 115.956 115.700 -0.080 0.000 2.447 305 S HA -0.115 4.357 4.470 0.003 0.000 0.233 305 S C 1.966 176.530 174.600 -0.060 0.000 1.006 305 S CA 1.370 59.530 58.200 -0.066 0.000 0.957 305 S CB -0.229 62.933 63.200 -0.063 0.000 0.773 305 S HN 0.490 nan 8.310 nan 0.000 0.507 306 T N 1.978 116.489 114.554 -0.071 0.000 2.942 306 T HA 0.194 4.546 4.350 0.003 0.000 0.265 306 T C 1.645 176.295 174.700 -0.083 0.000 1.062 306 T CA 0.691 62.746 62.100 -0.075 0.000 1.139 306 T CB -0.134 68.680 68.868 -0.091 0.000 0.883 306 T HN 0.340 nan 8.240 nan 0.000 0.468 307 I N 0.630 121.141 120.570 -0.099 0.000 2.429 307 I HA -0.030 4.142 4.170 0.003 0.000 0.247 307 I C 1.983 178.087 176.117 -0.020 0.000 1.099 307 I CA 0.439 61.690 61.300 -0.082 0.000 1.422 307 I CB -0.243 37.669 38.000 -0.148 0.000 1.112 307 I HN 0.101 nan 8.210 nan 0.000 0.430 308 I N 1.917 122.472 120.570 -0.024 0.000 2.236 308 I HA -0.203 3.969 4.170 0.003 0.000 0.249 308 I C -0.125 175.992 176.117 -0.001 0.000 1.102 308 I CA 1.850 63.149 61.300 -0.002 0.000 1.365 308 I CB -2.649 35.340 38.000 -0.017 0.000 1.051 308 I HN 0.294 nan 8.210 nan 0.000 0.420 309 P HA 0.049 nan 4.420 nan 0.000 0.245 309 P C 0.619 177.915 177.300 -0.007 0.000 1.203 309 P CA 0.288 63.383 63.100 -0.009 0.000 0.792 309 P CB 0.286 31.977 31.700 -0.014 0.000 0.997 310 L N 3.329 124.548 121.223 -0.007 0.000 2.410 310 L HA 0.248 4.590 4.340 0.003 0.000 0.273 310 L C -1.855 175.012 176.870 -0.006 0.000 1.152 310 L CA -2.100 52.736 54.840 -0.007 0.000 0.855 310 L CB -0.135 41.917 42.059 -0.011 0.000 1.129 310 L HN -0.096 nan 8.230 nan 0.000 0.463 311 P HA 0.053 nan 4.420 nan 0.000 0.269 311 P C 0.826 178.114 177.300 -0.019 0.000 1.209 311 P CA -0.004 63.090 63.100 -0.010 0.000 0.776 311 P CB 1.610 33.307 31.700 -0.004 0.000 0.876 312 V N 1.528 121.424 119.914 -0.030 0.000 0.516 312 V HA -0.351 3.771 4.120 0.003 0.000 0.092 312 V C 2.234 178.291 176.094 -0.062 0.000 2.243 312 V CA 2.314 64.587 62.300 -0.045 0.000 3.573 312 V CB -2.041 29.758 31.823 -0.039 0.000 0.862 312 V HN 0.466 nan 8.190 nan 0.000 0.902 313 I N 1.423 121.969 120.570 -0.040 0.000 2.208 313 I HA -0.230 3.942 4.170 0.003 0.000 0.245 313 I C 2.565 178.661 176.117 -0.036 0.000 1.097 313 I CA 2.782 64.062 61.300 -0.033 0.000 1.363 313 I CB -1.231 36.785 38.000 0.028 0.000 1.051 313 I HN 0.831 nan 8.210 nan 0.000 0.413 314 K N 0.734 121.133 120.400 -0.002 0.000 2.360 314 K HA -0.140 4.182 4.320 0.003 0.000 0.201 314 K C 1.250 177.830 176.600 -0.032 0.000 1.046 314 K CA 1.054 57.354 56.287 0.022 0.000 0.945 314 K CB -0.170 32.339 32.500 0.015 0.000 0.750 314 K HN 0.269 nan 8.250 nan 0.000 0.464 315 E N 1.159 121.306 120.200 -0.088 0.000 2.435 315 E HA 0.017 4.369 4.350 0.003 0.000 0.195 315 E C 1.854 178.328 176.600 -0.210 0.000 1.029 315 E CA 0.418 56.752 56.400 -0.109 0.000 0.865 315 E CB 0.010 29.658 29.700 -0.086 0.000 0.833 315 E HN 0.429 nan 8.360 nan 0.000 0.510 316 L N -0.461 120.524 121.223 -0.396 0.000 2.313 316 L HA -0.006 4.336 4.340 0.003 0.000 0.214 316 L C 0.159 176.519 176.870 -0.851 0.000 1.119 316 L CA 0.684 55.094 54.840 -0.716 0.000 0.809 316 L CB -0.142 41.261 42.059 -1.093 0.000 0.933 316 L HN 0.029 nan 8.230 nan 0.000 0.449 317 Y N -1.700 118.504 120.300 -0.160 0.000 2.553 317 Y HA 0.530 5.082 4.550 0.003 0.000 0.347 317 Y C -0.020 175.824 175.900 -0.094 0.000 1.019 317 Y CA -1.335 56.650 58.100 -0.192 0.000 1.032 317 Y CB 1.005 39.304 38.460 -0.269 0.000 1.284 317 Y HN -0.229 nan 8.280 nan 0.000 0.466 318 R N 0.552 121.114 120.500 0.104 0.000 2.457 318 R HA 0.707 5.049 4.340 0.003 0.000 0.284 318 R C -0.584 175.760 176.300 0.073 0.000 1.024 318 R CA -0.553 55.590 56.100 0.072 0.000 1.025 318 R CB 1.856 32.195 30.300 0.064 0.000 1.063 318 R HN 0.794 nan 8.270 nan 0.000 0.493 319 T N -0.609 113.975 114.554 0.051 0.000 2.868 319 T HA 0.094 4.446 4.350 0.003 0.000 0.306 319 T C -0.382 174.335 174.700 0.028 0.000 1.224 319 T CA -0.793 61.327 62.100 0.035 0.000 1.012 319 T CB 1.282 70.162 68.868 0.020 0.000 1.221 319 T HN 0.705 nan 8.240 nan 0.000 0.499 320 D N 0.495 120.910 120.400 0.025 0.000 2.339 320 D HA 0.223 4.865 4.640 0.003 0.000 0.217 320 D C 1.475 177.779 176.300 0.007 0.000 1.050 320 D CA 0.799 54.813 54.000 0.025 0.000 0.856 320 D CB -0.354 40.471 40.800 0.041 0.000 0.922 320 D HN 1.130 nan 8.370 nan 0.000 0.518 321 G N 0.347 109.143 108.800 -0.007 0.000 2.184 321 G HA2 -0.377 3.585 3.960 0.003 0.000 0.264 321 G HA3 -0.377 3.585 3.960 0.003 0.000 0.264 321 G C 0.923 175.782 174.900 -0.069 0.000 0.975 321 G CA 0.780 45.863 45.100 -0.029 0.000 0.642 321 G HN 0.489 nan 8.290 nan 0.000 0.536 322 Q N -2.564 117.185 119.800 -0.084 0.000 2.631 322 Q HA 0.300 4.642 4.340 0.003 0.000 0.220 322 Q C 1.599 177.358 176.000 -0.402 0.000 0.819 322 Q CA 0.756 56.423 55.803 -0.227 0.000 0.914 322 Q CB 0.589 29.238 28.738 -0.148 0.000 1.248 322 Q HN 0.643 nan 8.270 nan 0.000 0.629 323 H N -1.118 117.948 119.070 -0.007 0.000 3.622 323 H HA 0.370 4.928 4.556 0.003 0.000 0.259 323 H C -0.326 174.998 175.328 -0.007 0.000 1.145 323 H CA -0.159 55.884 56.048 -0.008 0.000 1.178 323 H CB 1.565 31.323 29.762 -0.007 0.000 1.542 323 H HN -0.003 nan 8.280 nan 0.000 0.586 324 I N 2.050 122.679 120.570 0.099 0.000 2.392 324 I HA 0.265 4.437 4.170 0.003 0.000 0.295 324 I C -0.821 175.309 176.117 0.021 0.000 0.985 324 I CA -0.586 60.753 61.300 0.065 0.000 1.221 324 I CB 2.137 40.177 38.000 0.067 0.000 1.366 324 I HN -0.051 nan 8.210 nan 0.000 0.467 325 L N 6.339 127.567 121.223 0.009 0.000 2.381 325 L HA 0.511 4.853 4.340 0.003 0.000 0.274 325 L C -0.501 176.391 176.870 0.036 0.000 0.988 325 L CA -0.659 54.143 54.840 -0.064 0.000 0.824 325 L CB 1.970 43.870 42.059 -0.266 0.000 1.263 325 L HN 0.532 nan 8.230 nan 0.000 0.410 326 K N 3.340 123.786 120.400 0.078 0.000 2.413 326 K HA 0.519 4.841 4.320 0.003 0.000 0.257 326 K C -1.190 175.539 176.600 0.216 0.000 0.946 326 K CA -0.536 55.860 56.287 0.182 0.000 0.823 326 K CB 1.375 33.967 32.500 0.154 0.000 1.109 326 K HN 0.196 nan 8.250 nan 0.000 0.427 327 F N 4.356 124.483 119.950 0.296 0.000 2.380 327 F HA 0.325 4.854 4.527 0.003 0.000 0.325 327 F C -1.510 174.445 175.800 0.258 0.000 1.136 327 F CA -1.827 56.358 58.000 0.308 0.000 1.171 327 F CB 0.501 39.737 39.000 0.393 0.000 1.230 327 F HN 0.455 nan 8.300 nan 0.000 0.554 328 P HA -0.001 nan 4.420 nan 0.000 0.277 328 P C -1.275 176.180 177.300 0.259 0.000 1.240 328 P CA -0.570 62.656 63.100 0.211 0.000 0.798 328 P CB 0.712 32.428 31.700 0.025 0.000 0.979 329 Q N 2.770 122.619 119.800 0.082 0.000 2.262 329 Q HA 0.145 4.487 4.340 0.003 0.000 0.272 329 Q C -2.019 173.842 176.000 -0.231 0.000 1.076 329 Q CA -1.567 54.094 55.803 -0.237 0.000 0.905 329 Q CB -0.120 28.513 28.738 -0.175 0.000 1.182 329 Q HN 0.287 nan 8.270 nan 0.000 0.390 330 P HA -0.006 nan 4.420 nan 0.000 0.268 330 P C -0.418 176.725 177.300 -0.263 0.000 1.205 330 P CA 0.082 63.036 63.100 -0.243 0.000 0.771 330 P CB 0.645 32.058 31.700 -0.478 0.000 0.858 331 H N 0.837 119.733 119.070 -0.291 0.000 2.390 331 H HA -0.141 4.417 4.556 0.003 0.000 0.298 331 H C 1.776 176.889 175.328 -0.358 0.000 1.106 331 H CA 1.500 57.328 56.048 -0.367 0.000 1.297 331 H CB -0.656 28.732 29.762 -0.624 0.000 1.375 331 H HN 0.136 nan 8.280 nan 0.000 0.509 332 V N 1.060 120.827 119.914 -0.245 0.000 2.867 332 V HA -0.132 3.990 4.120 0.003 0.000 0.260 332 V C 1.646 177.707 176.094 -0.056 0.000 1.099 332 V CA 1.682 63.891 62.300 -0.151 0.000 1.122 332 V CB -0.336 31.446 31.823 -0.068 0.000 0.708 332 V HN 0.494 nan 8.190 nan 0.000 0.490 333 V N -3.784 116.063 119.914 -0.112 0.000 3.427 333 V HA 0.211 4.332 4.120 0.003 0.000 0.305 333 V C 1.722 177.775 176.094 -0.069 0.000 1.412 333 V CA 0.499 62.770 62.300 -0.048 0.000 1.086 333 V CB 0.075 31.867 31.823 -0.050 0.000 0.964 333 V HN 0.454 nan 8.190 nan 0.000 0.439 334 Q N 0.446 120.182 119.800 -0.108 0.000 2.226 334 Q HA -0.056 4.285 4.340 0.003 0.000 0.204 334 Q C 1.982 177.957 176.000 -0.042 0.000 0.975 334 Q CA 2.006 57.752 55.803 -0.095 0.000 0.866 334 Q CB 0.195 28.850 28.738 -0.139 0.000 0.915 334 Q HN 0.702 nan 8.270 nan 0.000 0.440 335 V N -1.617 118.285 119.914 -0.021 0.000 3.013 335 V HA 0.081 4.203 4.120 0.003 0.000 0.238 335 V C 0.479 176.579 176.094 0.010 0.000 1.161 335 V CA 0.357 62.656 62.300 -0.001 0.000 1.170 335 V CB 1.470 33.297 31.823 0.008 0.000 0.917 335 V HN -0.025 nan 8.190 nan 0.000 0.478 336 S N 0.171 115.883 115.700 0.021 0.000 2.733 336 S HA 0.302 4.774 4.470 0.003 0.000 0.294 336 S C 0.492 175.129 174.600 0.062 0.000 1.149 336 S CA -0.497 57.721 58.200 0.030 0.000 1.034 336 S CB 1.779 64.997 63.200 0.030 0.000 1.015 336 S HN 0.505 nan 8.310 nan 0.000 0.486 337 Q N 3.155 122.986 119.800 0.053 0.000 2.472 337 Q HA 0.078 4.420 4.340 0.003 0.000 0.208 337 Q C 1.076 177.220 176.000 0.241 0.000 0.958 337 Q CA 1.288 57.156 55.803 0.109 0.000 0.932 337 Q CB -0.071 28.627 28.738 -0.067 0.000 1.007 337 Q HN 0.619 nan 8.270 nan 0.000 0.508 338 S N -1.259 114.499 115.700 0.095 0.000 2.526 338 S HA 0.400 4.872 4.470 0.003 0.000 0.220 338 S C 1.899 176.341 174.600 -0.263 0.000 1.017 338 S CA 0.001 58.158 58.200 -0.072 0.000 0.930 338 S CB 0.448 63.606 63.200 -0.070 0.000 0.856 338 S HN 0.398 nan 8.310 nan 0.000 0.497 339 A N 2.792 125.576 122.820 -0.061 0.000 2.024 339 A HA -0.042 4.280 4.320 0.003 0.000 0.220 339 A C 1.993 179.555 177.584 -0.036 0.000 1.164 339 A CA 1.321 53.333 52.037 -0.043 0.000 0.643 339 A CB -1.432 17.595 19.000 0.045 0.000 0.806 339 A HN 0.950 nan 8.150 nan 0.000 0.451 340 W N -0.667 120.647 121.300 0.023 0.000 2.364 340 W HA -0.152 4.510 4.660 0.003 0.000 0.281 340 W C 1.375 177.903 176.519 0.015 0.000 1.219 340 W CA 1.209 58.568 57.345 0.024 0.000 1.220 340 W CB -1.007 28.444 29.460 -0.015 0.000 1.127 340 W HN 0.303 nan 8.180 nan 0.000 0.556 341 M N 1.621 120.626 119.600 -0.991 0.000 2.562 341 M HA -0.008 4.474 4.480 0.003 0.000 0.257 341 M C 1.044 177.137 176.300 -0.345 0.000 1.099 341 M CA 1.203 55.932 55.300 -0.952 0.000 1.099 341 M CB -0.568 31.309 32.600 -1.204 0.000 1.427 341 M HN -0.122 nan 8.290 nan 0.000 0.489 342 T N -2.187 112.258 114.554 -0.181 0.000 2.913 342 T HA 0.077 4.429 4.350 0.003 0.000 0.297 342 T C 0.551 175.303 174.700 0.086 0.000 1.029 342 T CA -0.652 61.427 62.100 -0.035 0.000 1.104 342 T CB 1.151 70.015 68.868 -0.007 0.000 0.964 342 T HN 0.039 nan 8.240 nan 0.000 0.532 343 D N 1.487 121.972 120.400 0.142 0.000 2.178 343 D HA -0.060 4.582 4.640 0.003 0.000 0.201 343 D C 1.898 178.351 176.300 0.256 0.000 0.980 343 D CA 1.157 55.318 54.000 0.268 0.000 0.842 343 D CB -0.080 40.889 40.800 0.282 0.000 0.948 343 D HN 0.741 nan 8.370 nan 0.000 0.472 344 E N 0.364 120.656 120.200 0.153 0.000 2.077 344 E HA -0.176 4.176 4.350 0.003 0.000 0.193 344 E C 1.904 178.575 176.600 0.120 0.000 0.989 344 E CA 1.034 57.504 56.400 0.117 0.000 0.800 344 E CB -0.119 29.627 29.700 0.075 0.000 0.746 344 E HN 0.186 nan 8.360 nan 0.000 0.452 345 E N -0.221 120.060 120.200 0.136 0.000 2.107 345 E HA -0.116 4.235 4.350 0.003 0.000 0.191 345 E C 1.649 178.349 176.600 0.167 0.000 0.982 345 E CA 0.535 57.020 56.400 0.141 0.000 0.809 345 E CB -0.342 29.453 29.700 0.158 0.000 0.756 345 E HN 0.269 nan 8.360 nan 0.000 0.459 346 F N 0.848 120.831 119.950 0.055 0.000 2.091 346 F HA -0.193 4.336 4.527 0.003 0.000 0.299 346 F C 1.995 177.804 175.800 0.016 0.000 1.103 346 F CA 2.123 60.148 58.000 0.042 0.000 1.228 346 F CB -0.790 38.241 39.000 0.053 0.000 0.984 346 F HN 0.098 nan 8.300 nan 0.000 0.477 347 A N 0.402 123.214 122.820 -0.014 0.000 1.897 347 A HA -0.125 4.197 4.320 0.003 0.000 0.215 347 A C 2.411 179.888 177.584 -0.179 0.000 1.181 347 A CA 1.341 53.271 52.037 -0.178 0.000 0.620 347 A CB -0.852 18.147 19.000 -0.002 0.000 0.821 347 A HN 0.462 nan 8.150 nan 0.000 0.443 348 R N 0.050 120.499 120.500 -0.084 0.000 2.127 348 R HA -0.151 4.191 4.340 0.003 0.000 0.238 348 R C 1.687 177.906 176.300 -0.135 0.000 1.134 348 R CA 1.672 57.717 56.100 -0.093 0.000 0.975 348 R CB -0.227 30.068 30.300 -0.008 0.000 0.865 348 R HN 0.661 nan 8.270 nan 0.000 0.447 349 E N -0.179 119.927 120.200 -0.156 0.000 2.409 349 E HA -0.146 4.206 4.350 0.003 0.000 0.198 349 E C 1.713 178.163 176.600 -0.250 0.000 1.024 349 E CA 0.815 57.069 56.400 -0.244 0.000 0.861 349 E CB 0.036 29.558 29.700 -0.296 0.000 0.788 349 E HN 0.457 nan 8.360 nan 0.000 0.521 350 M N 0.118 119.559 119.600 -0.265 0.000 2.557 350 M HA -0.008 4.474 4.480 0.003 0.000 0.259 350 M C 1.946 178.092 176.300 -0.257 0.000 1.086 350 M CA 1.065 56.210 55.300 -0.258 0.000 1.096 350 M CB 0.056 32.473 32.600 -0.306 0.000 1.424 350 M HN 0.190 nan 8.290 nan 0.000 0.488 351 I N -4.960 115.445 120.570 -0.275 0.000 4.327 351 I HA 0.454 4.626 4.170 0.003 0.000 0.331 351 I C 1.044 177.110 176.117 -0.086 0.000 1.348 351 I CA -0.136 60.986 61.300 -0.296 0.000 1.152 351 I CB 0.420 38.036 38.000 -0.639 0.000 1.151 351 I HN -0.028 nan 8.210 nan 0.000 0.410 352 A N 1.124 123.867 122.820 -0.127 0.000 2.596 352 A HA 0.726 5.048 4.320 0.003 0.000 0.276 352 A C 0.730 178.386 177.584 0.120 0.000 0.962 352 A CA 0.159 52.106 52.037 -0.149 0.000 1.010 352 A CB -0.398 18.500 19.000 -0.170 0.000 1.220 352 A HN 0.377 nan 8.150 nan 0.000 0.549 353 G N -0.841 107.901 108.800 -0.097 0.000 2.641 353 G HA2 0.422 4.384 3.960 0.003 0.000 0.239 353 G HA3 0.422 4.384 3.960 0.003 0.000 0.239 353 G C 0.929 175.747 174.900 -0.137 0.000 1.402 353 G CA 0.444 45.270 45.100 -0.456 0.000 1.046 353 G HN 0.234 nan 8.290 nan 0.000 0.565 354 V N 0.439 120.203 119.914 -0.249 0.000 2.626 354 V HA -0.019 4.103 4.120 0.003 0.000 0.252 354 V C 1.251 177.265 176.094 -0.134 0.000 1.067 354 V CA 1.516 63.766 62.300 -0.085 0.000 1.081 354 V CB -0.536 31.156 31.823 -0.218 0.000 0.686 354 V HN 0.647 nan 8.190 nan 0.000 0.468 355 N N 0.771 119.399 118.700 -0.121 0.000 2.765 355 N HA 0.187 4.928 4.740 0.003 0.000 0.277 355 N C -2.271 173.231 175.510 -0.014 0.000 1.750 355 N CA -1.042 52.038 53.050 0.050 0.000 0.827 355 N CB 1.569 40.138 38.487 0.136 0.000 1.200 355 N HN 0.217 nan 8.380 nan 0.000 0.494 356 P HA 0.128 nan 4.420 nan 0.000 0.255 356 P C 0.521 177.797 177.300 -0.038 0.000 1.357 356 P CA 0.091 63.136 63.100 -0.092 0.000 0.839 356 P CB -0.646 30.998 31.700 -0.094 0.000 1.356 357 C N -3.205 116.071 119.300 -0.039 0.000 2.849 357 C HA 0.485 4.947 4.460 0.003 0.000 0.271 357 C C 1.435 176.488 174.990 0.105 0.000 1.519 357 C CA -0.486 58.571 59.018 0.064 0.000 1.783 357 C CB -1.143 26.599 27.740 0.005 0.000 2.869 357 C HN 0.031 nan 8.230 nan 0.000 0.527 358 V N 0.529 120.477 119.914 0.056 0.000 3.455 358 V HA 0.221 4.343 4.120 0.003 0.000 0.250 358 V C 1.196 177.241 176.094 -0.081 0.000 1.230 358 V CA 0.179 62.468 62.300 -0.018 0.000 1.105 358 V CB -0.066 31.715 31.823 -0.071 0.000 0.850 358 V HN 0.674 nan 8.190 nan 0.000 0.461 359 I N 1.890 122.418 120.570 -0.070 0.000 2.880 359 I HA 0.031 4.203 4.170 0.003 0.000 0.296 359 I C 0.383 176.512 176.117 0.020 0.000 1.220 359 I CA 0.731 61.988 61.300 -0.071 0.000 1.435 359 I CB 0.243 38.157 38.000 -0.144 0.000 1.339 359 I HN 0.248 nan 8.210 nan 0.000 0.583 360 R N 4.263 124.801 120.500 0.063 0.000 2.837 360 R HA 0.490 4.832 4.340 0.003 0.000 0.271 360 R C -0.433 175.980 176.300 0.189 0.000 0.993 360 R CA -0.772 55.392 56.100 0.108 0.000 0.931 360 R CB 1.754 32.063 30.300 0.015 0.000 1.206 360 R HN 0.782 nan 8.270 nan 0.000 0.474 361 G N 0.939 109.810 108.800 0.119 0.000 2.483 361 G HA2 0.359 4.321 3.960 0.003 0.000 0.248 361 G HA3 0.359 4.321 3.960 0.003 0.000 0.248 361 G C -1.164 173.620 174.900 -0.193 0.000 1.248 361 G CA -0.227 44.750 45.100 -0.205 0.000 0.838 361 G HN 0.277 nan 8.290 nan 0.000 0.566 362 L N 0.632 121.680 121.223 -0.292 0.000 2.319 362 L HA 0.468 4.810 4.340 0.003 0.000 0.281 362 L C 0.650 177.445 176.870 -0.124 0.000 1.005 362 L CA -0.294 54.469 54.840 -0.129 0.000 0.828 362 L CB 1.440 43.474 42.059 -0.043 0.000 1.227 362 L HN 0.715 nan 8.230 nan 0.000 0.415 363 E N 3.480 123.635 120.200 -0.075 0.000 2.481 363 E HA 0.105 4.457 4.350 0.003 0.000 0.198 363 E C -0.518 176.079 176.600 -0.005 0.000 1.027 363 E CA 0.101 56.470 56.400 -0.052 0.000 0.900 363 E CB 0.748 30.416 29.700 -0.054 0.000 0.993 363 E HN 0.773 nan 8.360 nan 0.000 0.482 364 E N -0.132 120.080 120.200 0.019 0.000 2.429 364 E HA 0.533 4.885 4.350 0.003 0.000 0.276 364 E C -1.281 175.388 176.600 0.116 0.000 0.953 364 E CA -0.944 55.485 56.400 0.049 0.000 0.787 364 E CB 1.808 31.511 29.700 0.005 0.000 1.307 364 E HN -0.106 nan 8.360 nan 0.000 0.458 365 F N 1.435 121.370 119.950 -0.024 0.000 2.615 365 F HA 0.429 4.959 4.527 0.004 0.000 0.312 365 F C -2.498 173.292 175.800 -0.016 0.000 1.119 365 F CA -1.488 56.500 58.000 -0.020 0.000 0.979 365 F CB 1.794 40.785 39.000 -0.015 0.000 1.266 365 F HN 0.467 nan 8.300 nan 0.000 0.444 366 P HA 0.334 nan 4.420 nan 0.000 0.274 366 P C -2.916 173.989 177.300 -0.658 0.000 1.256 366 P CA -1.140 61.180 63.100 -1.300 0.000 0.795 366 P CB 0.272 31.497 31.700 -0.791 0.000 1.038 367 P HA 0.173 nan 4.420 nan 0.000 0.271 367 P C -0.428 176.727 177.300 -0.243 0.000 1.218 367 P CA 0.104 63.028 63.100 -0.293 0.000 0.780 367 P CB 0.962 32.529 31.700 -0.220 0.000 0.901 368 K N 0.638 120.941 120.400 -0.162 0.000 2.166 368 K HA 0.550 4.872 4.320 0.003 0.000 0.245 368 K C 0.016 176.552 176.600 -0.108 0.000 0.967 368 K CA -0.713 55.498 56.287 -0.127 0.000 0.863 368 K CB 1.458 33.911 32.500 -0.079 0.000 1.107 368 K HN 0.356 nan 8.250 nan 0.000 0.436 369 S N 0.457 116.110 115.700 -0.078 0.000 2.513 369 S HA 0.293 4.765 4.470 0.003 0.000 0.299 369 S C -0.204 174.420 174.600 0.040 0.000 1.087 369 S CA -0.758 57.436 58.200 -0.010 0.000 1.012 369 S CB 0.745 63.950 63.200 0.008 0.000 1.044 369 S HN 0.559 nan 8.310 nan 0.000 0.485 370 N N 2.847 121.588 118.700 0.069 0.000 2.230 370 N HA 0.250 4.992 4.740 0.003 0.000 0.202 370 N C -0.223 175.347 175.510 0.100 0.000 1.119 370 N CA 0.071 53.163 53.050 0.069 0.000 0.851 370 N CB 0.010 38.532 38.487 0.059 0.000 0.990 370 N HN 0.545 nan 8.380 nan 0.000 0.497 371 L N 0.507 121.810 121.223 0.134 0.000 2.418 371 L HA 0.158 4.500 4.340 0.003 0.000 0.265 371 L C 0.644 177.647 176.870 0.222 0.000 1.143 371 L CA -0.590 54.363 54.840 0.188 0.000 0.809 371 L CB 0.532 42.680 42.059 0.150 0.000 1.124 371 L HN -0.105 nan 8.230 nan 0.000 0.456 372 D N 3.531 124.087 120.400 0.261 0.000 2.346 372 D HA 0.051 4.693 4.640 0.003 0.000 0.260 372 D C -1.424 174.971 176.300 0.159 0.000 1.252 372 D CA -1.755 52.337 54.000 0.153 0.000 0.895 372 D CB 1.172 42.009 40.800 0.062 0.000 1.097 372 D HN 0.220 nan 8.370 nan 0.000 0.489 373 P HA -0.113 nan 4.420 nan 0.000 0.223 373 P C 0.931 178.262 177.300 0.051 0.000 1.151 373 P CA 0.568 63.736 63.100 0.113 0.000 0.787 373 P CB 0.231 31.983 31.700 0.086 0.000 0.788 374 A N -0.353 122.473 122.820 0.009 0.000 2.067 374 A HA -0.086 4.236 4.320 0.003 0.000 0.219 374 A C 2.219 179.749 177.584 -0.090 0.000 1.158 374 A CA 1.102 53.122 52.037 -0.028 0.000 0.661 374 A CB -1.175 17.807 19.000 -0.030 0.000 0.801 374 A HN 0.185 nan 8.150 nan 0.000 0.452 375 I N -3.231 117.228 120.570 -0.185 0.000 2.810 375 I HA -0.018 4.154 4.170 0.003 0.000 0.262 375 I C 1.399 177.241 176.117 -0.459 0.000 1.131 375 I CA 0.710 61.758 61.300 -0.420 0.000 1.453 375 I CB 0.111 37.637 38.000 -0.790 0.000 1.161 375 I HN 0.330 nan 8.210 nan 0.000 0.444 376 Y N 1.183 121.498 120.300 0.024 0.000 2.467 376 Y HA 0.490 5.042 4.550 0.003 0.000 0.250 376 Y C 1.163 177.111 175.900 0.081 0.000 1.155 376 Y CA -0.028 58.092 58.100 0.033 0.000 1.249 376 Y CB 0.009 38.488 38.460 0.031 0.000 1.146 376 Y HN 0.156 nan 8.280 nan 0.000 0.524 377 G N 0.561 109.468 108.800 0.179 0.000 2.756 377 G HA2 -0.235 3.727 3.960 0.003 0.000 0.678 377 G HA3 -0.235 3.727 3.960 0.003 0.000 0.678 377 G C -1.010 173.987 174.900 0.163 0.000 1.349 377 G CA -0.698 44.501 45.100 0.165 0.000 0.847 377 G HN 0.140 nan 8.290 nan 0.000 0.548 378 D N 0.147 120.617 120.400 0.117 0.000 2.586 378 D HA 0.116 4.758 4.640 0.003 0.000 0.234 378 D C 1.395 177.767 176.300 0.120 0.000 1.132 378 D CA 0.404 54.460 54.000 0.093 0.000 0.860 378 D CB 0.625 41.461 40.800 0.059 0.000 1.159 378 D HN 0.362 nan 8.370 nan 0.000 0.490 379 Q N 1.799 121.663 119.800 0.107 0.000 2.220 379 Q HA 0.098 4.440 4.340 0.003 0.000 0.205 379 Q C -0.033 175.971 176.000 0.008 0.000 0.865 379 Q CA -0.091 55.777 55.803 0.109 0.000 0.960 379 Q CB 0.232 29.058 28.738 0.146 0.000 1.097 379 Q HN 0.313 nan 8.270 nan 0.000 0.493 380 S N 1.153 116.854 115.700 0.001 0.000 2.549 380 S HA 0.070 4.542 4.470 0.003 0.000 0.286 380 S C 0.370 174.932 174.600 -0.065 0.000 1.314 380 S CA -0.029 58.144 58.200 -0.044 0.000 1.062 380 S CB 0.966 64.151 63.200 -0.025 0.000 0.865 380 S HN 0.218 nan 8.310 nan 0.000 0.498 381 S N 1.673 117.297 115.700 -0.127 0.000 2.572 381 S HA 0.119 4.591 4.470 0.003 0.000 0.279 381 S C 0.829 175.388 174.600 -0.068 0.000 1.341 381 S CA -0.367 57.754 58.200 -0.132 0.000 1.043 381 S CB 0.235 63.298 63.200 -0.229 0.000 0.887 381 S HN 0.565 nan 8.310 nan 0.000 0.516 382 K N 3.249 123.637 120.400 -0.020 0.000 2.358 382 K HA 0.278 4.600 4.320 0.003 0.000 0.197 382 K C -0.086 176.540 176.600 0.043 0.000 1.025 382 K CA 0.065 56.361 56.287 0.014 0.000 1.104 382 K CB -0.092 32.426 32.500 0.030 0.000 0.855 382 K HN 0.621 nan 8.250 nan 0.000 0.531 383 I N 2.776 123.376 120.570 0.051 0.000 2.471 383 I HA -0.022 4.150 4.170 0.003 0.000 0.286 383 I C 0.705 176.962 176.117 0.233 0.000 1.079 383 I CA -0.064 61.325 61.300 0.148 0.000 1.398 383 I CB 0.729 38.865 38.000 0.226 0.000 1.403 383 I HN -0.025 nan 8.210 nan 0.000 0.530 384 T N 2.613 117.285 114.554 0.196 0.000 2.829 384 T HA 0.506 4.858 4.350 0.003 0.000 0.282 384 T C 0.983 175.773 174.700 0.149 0.000 0.990 384 T CA -0.508 61.709 62.100 0.194 0.000 1.028 384 T CB 1.969 70.892 68.868 0.092 0.000 0.951 384 T HN 0.648 nan 8.240 nan 0.000 0.460 385 A N 2.600 125.496 122.820 0.127 0.000 1.908 385 A HA -0.098 4.224 4.320 0.003 0.000 0.218 385 A C 1.912 179.414 177.584 -0.136 0.000 1.181 385 A CA 1.581 53.499 52.037 -0.198 0.000 0.627 385 A CB -0.818 18.049 19.000 -0.221 0.000 0.818 385 A HN 0.883 nan 8.150 nan 0.000 0.445 386 D N 0.050 120.416 120.400 -0.056 0.000 2.351 386 D HA -0.092 4.550 4.640 0.003 0.000 0.216 386 D C 2.069 178.334 176.300 -0.058 0.000 0.968 386 D CA 1.405 55.371 54.000 -0.057 0.000 0.899 386 D CB -0.235 40.547 40.800 -0.029 0.000 0.907 386 D HN 0.631 nan 8.370 nan 0.000 0.514 387 S N -0.503 115.169 115.700 -0.046 0.000 2.558 387 S HA 0.059 4.531 4.470 0.003 0.000 0.217 387 S C 0.917 175.473 174.600 -0.074 0.000 0.975 387 S CA -0.301 57.873 58.200 -0.044 0.000 0.912 387 S CB -0.111 63.082 63.200 -0.012 0.000 0.776 387 S HN 0.087 nan 8.310 nan 0.000 0.526 388 L N 2.217 123.377 121.223 -0.106 0.000 2.350 388 L HA 0.467 4.809 4.340 0.003 0.000 0.275 388 L C -0.125 176.646 176.870 -0.165 0.000 1.099 388 L CA -0.618 54.140 54.840 -0.136 0.000 0.808 388 L CB 0.622 42.574 42.059 -0.179 0.000 1.149 388 L HN 0.098 nan 8.230 nan 0.000 0.442 389 D N 4.058 124.357 120.400 -0.168 0.000 2.428 389 D HA 0.232 4.874 4.640 0.003 0.000 0.221 389 D C -0.059 176.071 176.300 -0.283 0.000 1.123 389 D CA -0.191 53.699 54.000 -0.183 0.000 0.869 389 D CB 0.900 41.614 40.800 -0.143 0.000 1.032 389 D HN 0.400 nan 8.370 nan 0.000 0.506 390 L N 3.100 124.081 121.223 -0.404 0.000 3.073 390 L HA 0.187 4.529 4.340 0.003 0.000 0.242 390 L C 0.093 176.549 176.870 -0.690 0.000 1.317 390 L CA -0.420 53.885 54.840 -0.892 0.000 1.081 390 L CB -0.098 41.413 42.059 -0.914 0.000 1.456 390 L HN 0.220 nan 8.230 nan 0.000 0.525 391 D N 1.490 121.719 120.400 -0.286 0.000 2.811 391 D HA -0.218 4.424 4.640 0.003 0.000 0.231 391 D C 1.336 177.677 176.300 0.067 0.000 1.157 391 D CA 1.391 55.372 54.000 -0.031 0.000 0.716 391 D CB -0.996 39.887 40.800 0.137 0.000 1.077 391 D HN 0.773 nan 8.370 nan 0.000 0.428 392 G N -1.904 106.886 108.800 -0.017 0.000 2.194 392 G HA2 -0.358 3.604 3.960 0.003 0.000 0.236 392 G HA3 -0.358 3.604 3.960 0.003 0.000 0.236 392 G C 0.153 175.031 174.900 -0.038 0.000 0.987 392 G CA 0.135 45.222 45.100 -0.022 0.000 0.635 392 G HN 0.396 nan 8.290 nan 0.000 0.520 393 Y N 2.280 122.485 120.300 -0.157 0.000 2.304 393 Y HA 0.505 5.056 4.550 0.002 0.000 0.327 393 Y C 1.573 177.388 175.900 -0.141 0.000 1.209 393 Y CA 0.353 58.388 58.100 -0.108 0.000 1.299 393 Y CB 0.949 39.366 38.460 -0.072 0.000 1.249 393 Y HN 0.290 nan 8.280 nan 0.000 0.519 394 T N -0.608 113.961 114.554 0.026 0.000 2.874 394 T HA 0.189 4.540 4.350 0.003 0.000 0.281 394 T C 1.099 175.793 174.700 -0.010 0.000 0.994 394 T CA -0.854 61.232 62.100 -0.024 0.000 1.015 394 T CB 0.879 69.730 68.868 -0.029 0.000 1.028 394 T HN 0.718 nan 8.240 nan 0.000 0.523 395 M N 0.951 120.507 119.600 -0.074 0.000 2.108 395 M HA -0.080 4.402 4.480 0.003 0.000 0.261 395 M C 1.437 177.724 176.300 -0.023 0.000 1.066 395 M CA 1.770 57.006 55.300 -0.107 0.000 1.107 395 M CB -1.228 31.253 32.600 -0.199 0.000 1.356 395 M HN 0.706 nan 8.290 nan 0.000 0.406 396 D N 0.010 120.409 120.400 -0.001 0.000 2.178 396 D HA -0.158 4.484 4.640 0.003 0.000 0.201 396 D C 1.914 178.246 176.300 0.053 0.000 0.980 396 D CA 1.452 55.467 54.000 0.024 0.000 0.842 396 D CB -0.253 40.557 40.800 0.017 0.000 0.948 396 D HN 0.600 nan 8.370 nan 0.000 0.472 397 E N 0.682 120.931 120.200 0.082 0.000 2.072 397 E HA -0.080 4.271 4.350 0.003 0.000 0.191 397 E C 2.136 178.889 176.600 0.255 0.000 0.985 397 E CA 0.862 57.358 56.400 0.160 0.000 0.801 397 E CB 0.000 29.797 29.700 0.162 0.000 0.750 397 E HN 0.172 nan 8.360 nan 0.000 0.452 398 A N 1.354 124.319 122.820 0.243 0.000 1.877 398 A HA -0.149 4.173 4.320 0.003 0.000 0.216 398 A C 2.211 179.843 177.584 0.081 0.000 1.186 398 A CA 0.995 53.158 52.037 0.209 0.000 0.620 398 A CB -0.648 18.470 19.000 0.198 0.000 0.822 398 A HN 0.111 nan 8.150 nan 0.000 0.443 399 L N -0.744 120.507 121.223 0.045 0.000 2.017 399 L HA -0.152 4.190 4.340 0.003 0.000 0.208 399 L C 2.835 179.703 176.870 -0.003 0.000 1.073 399 L CA 1.299 56.141 54.840 0.002 0.000 0.745 399 L CB -0.839 41.232 42.059 0.019 0.000 0.894 399 L HN 0.500 nan 8.230 nan 0.000 0.432 400 G N -0.765 108.053 108.800 0.030 0.000 2.422 400 G HA2 -0.227 3.735 3.960 0.003 0.000 0.218 400 G HA3 -0.227 3.735 3.960 0.003 0.000 0.218 400 G C 1.600 176.519 174.900 0.032 0.000 1.140 400 G CA 0.880 45.996 45.100 0.028 0.000 0.775 400 G HN 0.505 nan 8.290 nan 0.000 0.545 401 S N -0.349 115.385 115.700 0.057 0.000 2.593 401 S HA 0.182 4.653 4.470 0.003 0.000 0.217 401 S C 1.044 175.647 174.600 0.004 0.000 0.966 401 S CA -0.066 58.169 58.200 0.059 0.000 0.914 401 S CB 0.164 63.446 63.200 0.137 0.000 0.776 401 S HN 0.201 nan 8.310 nan 0.000 0.523 402 R N 0.641 121.117 120.500 -0.040 0.000 3.336 402 R HA -0.125 4.217 4.340 0.003 0.000 0.260 402 R C 0.040 176.256 176.300 -0.140 0.000 1.032 402 R CA 0.580 56.610 56.100 -0.116 0.000 0.693 402 R CB -2.521 27.748 30.300 -0.051 0.000 1.134 402 R HN 0.633 nan 8.270 nan 0.000 0.433 403 R N -0.562 119.843 120.500 -0.157 0.000 2.397 403 R HA 0.205 4.547 4.340 0.003 0.000 0.241 403 R C 0.310 176.508 176.300 -0.170 0.000 0.914 403 R CA -0.311 55.681 56.100 -0.181 0.000 1.071 403 R CB 0.452 30.501 30.300 -0.418 0.000 1.116 403 R HN -0.061 nan 8.270 nan 0.000 0.524 404 L N 0.923 121.953 121.223 -0.323 0.000 2.307 404 L HA 0.471 4.813 4.340 0.003 0.000 0.284 404 L C -1.026 175.469 176.870 -0.627 0.000 1.023 404 L CA -0.223 54.493 54.840 -0.206 0.000 0.810 404 L CB 0.832 42.855 42.059 -0.059 0.000 1.231 404 L HN -0.187 nan 8.230 nan 0.000 0.423 405 F N 4.125 124.078 119.950 0.005 0.000 2.664 405 F HA 0.732 5.260 4.527 0.002 0.000 0.329 405 F C -0.127 175.674 175.800 0.001 0.000 1.090 405 F CA -0.723 57.264 58.000 -0.022 0.000 0.978 405 F CB 1.884 40.837 39.000 -0.078 0.000 1.378 405 F HN 0.331 nan 8.300 nan 0.000 0.495 406 M N 1.999 121.692 119.600 0.154 0.000 2.413 406 M HA 0.527 5.009 4.480 0.003 0.000 0.287 406 M C -2.342 173.948 176.300 -0.017 0.000 1.186 406 M CA -0.892 54.448 55.300 0.066 0.000 0.927 406 M CB 2.101 34.723 32.600 0.037 0.000 1.715 406 M HN 0.570 nan 8.290 nan 0.000 0.478 407 L N 4.300 125.487 121.223 -0.060 0.000 2.297 407 L HA 0.486 4.828 4.340 0.003 0.000 0.277 407 L C -1.270 175.452 176.870 -0.247 0.000 1.040 407 L CA 0.259 54.980 54.840 -0.197 0.000 0.867 407 L CB 0.669 42.639 42.059 -0.148 0.000 1.244 407 L HN 0.611 nan 8.230 nan 0.000 0.433 408 D N 3.215 123.414 120.400 -0.336 0.000 2.443 408 D HA 0.177 4.819 4.640 0.003 0.000 0.221 408 D C -0.382 175.738 176.300 -0.299 0.000 1.097 408 D CA 0.031 53.899 54.000 -0.219 0.000 0.865 408 D CB 0.485 41.220 40.800 -0.108 0.000 1.034 408 D HN 0.424 nan 8.370 nan 0.000 0.511 409 Y N 2.073 122.431 120.300 0.095 0.000 2.584 409 Y HA 0.092 4.645 4.550 0.004 0.000 0.254 409 Y C 1.869 177.909 175.900 0.234 0.000 1.177 409 Y CA -0.359 57.847 58.100 0.177 0.000 1.216 409 Y CB -0.136 38.415 38.460 0.151 0.000 1.172 409 Y HN 0.622 nan 8.280 nan 0.000 0.529 410 H N 0.639 119.824 119.070 0.192 0.000 2.270 410 H HA -0.139 4.419 4.556 0.003 0.000 0.299 410 H C 0.733 176.129 175.328 0.114 0.000 1.077 410 H CA 2.321 58.450 56.048 0.135 0.000 1.294 410 H CB 0.175 29.973 29.762 0.060 0.000 1.371 410 H HN 0.236 nan 8.280 nan 0.000 0.491 411 D N 0.194 120.731 120.400 0.227 0.000 2.224 411 D HA -0.037 4.605 4.640 0.003 0.000 0.205 411 D C 2.462 178.818 176.300 0.093 0.000 0.965 411 D CA 0.486 54.556 54.000 0.117 0.000 0.852 411 D CB -0.071 40.817 40.800 0.148 0.000 0.947 411 D HN 0.445 nan 8.370 nan 0.000 0.494 412 I N -0.651 120.032 120.570 0.188 0.000 2.286 412 I HA -0.201 3.971 4.170 0.003 0.000 0.245 412 I C 1.551 177.729 176.117 0.102 0.000 1.104 412 I CA 0.866 62.283 61.300 0.195 0.000 1.397 412 I CB -0.015 38.186 38.000 0.334 0.000 1.072 412 I HN -0.088 nan 8.210 nan 0.000 0.417 413 F N -0.767 119.251 119.950 0.114 0.000 2.619 413 F HA -0.010 4.519 4.527 0.003 0.000 0.293 413 F C 2.257 178.051 175.800 -0.009 0.000 1.119 413 F CA 0.363 58.414 58.000 0.086 0.000 1.445 413 F CB -0.220 38.823 39.000 0.072 0.000 1.119 413 F HN -0.025 nan 8.300 nan 0.000 0.573 414 M N 1.538 121.121 119.600 -0.029 0.000 2.106 414 M HA -0.134 4.348 4.480 0.003 0.000 0.259 414 M C -1.128 174.986 176.300 -0.309 0.000 1.068 414 M CA 2.206 57.327 55.300 -0.298 0.000 1.100 414 M CB -1.653 30.550 32.600 -0.662 0.000 1.351 414 M HN -0.187 nan 8.290 nan 0.000 0.404 415 P HA -0.118 nan 4.420 nan 0.000 0.222 415 P C 0.472 177.649 177.300 -0.205 0.000 1.147 415 P CA 1.399 64.426 63.100 -0.121 0.000 0.790 415 P CB -0.196 31.462 31.700 -0.070 0.000 0.780 416 Y N -2.546 117.722 120.300 -0.052 0.000 2.444 416 Y HA 0.056 4.607 4.550 0.003 0.000 0.249 416 Y C 2.071 177.946 175.900 -0.041 0.000 1.134 416 Y CA -0.034 58.020 58.100 -0.077 0.000 1.261 416 Y CB -0.295 38.109 38.460 -0.094 0.000 1.143 416 Y HN -0.294 nan 8.280 nan 0.000 0.523 417 V N 0.362 120.339 119.914 0.106 0.000 2.295 417 V HA -0.333 3.788 4.120 0.003 0.000 0.246 417 V C 2.517 178.616 176.094 0.009 0.000 1.049 417 V CA 2.271 64.609 62.300 0.064 0.000 1.024 417 V CB -0.435 31.394 31.823 0.010 0.000 0.648 417 V HN 0.338 nan 8.190 nan 0.000 0.447 418 R N 0.379 120.872 120.500 -0.011 0.000 2.083 418 R HA -0.237 4.105 4.340 0.003 0.000 0.237 418 R C 2.537 178.819 176.300 -0.031 0.000 1.137 418 R CA 2.151 58.235 56.100 -0.026 0.000 0.951 418 R CB -0.307 29.980 30.300 -0.022 0.000 0.851 418 R HN 0.799 nan 8.270 nan 0.000 0.434 419 Q N -0.133 119.618 119.800 -0.082 0.000 2.167 419 Q HA -0.136 4.206 4.340 0.003 0.000 0.202 419 Q C 2.071 178.080 176.000 0.016 0.000 0.970 419 Q CA 1.409 57.142 55.803 -0.117 0.000 0.855 419 Q CB -0.250 28.233 28.738 -0.425 0.000 0.911 419 Q HN 0.441 nan 8.270 nan 0.000 0.438 420 I N 1.754 122.350 120.570 0.044 0.000 2.202 420 I HA -0.219 3.953 4.170 0.003 0.000 0.242 420 I C 1.450 177.631 176.117 0.106 0.000 1.091 420 I CA 0.959 62.355 61.300 0.161 0.000 1.368 420 I CB -0.340 37.764 38.000 0.173 0.000 1.058 420 I HN 0.227 nan 8.210 nan 0.000 0.410 421 N N 0.545 119.272 118.700 0.044 0.000 2.520 421 N HA -0.142 4.600 4.740 0.003 0.000 0.185 421 N C 1.638 177.160 175.510 0.021 0.000 1.068 421 N CA 0.711 53.765 53.050 0.007 0.000 0.911 421 N CB -0.166 38.293 38.487 -0.046 0.000 0.961 421 N HN 0.359 nan 8.380 nan 0.000 0.446 422 Q N 0.071 119.898 119.800 0.046 0.000 2.435 422 Q HA 0.124 4.466 4.340 0.003 0.000 0.207 422 Q C 0.384 176.423 176.000 0.065 0.000 0.956 422 Q CA 0.158 55.991 55.803 0.050 0.000 0.917 422 Q CB 0.190 28.965 28.738 0.062 0.000 0.997 422 Q HN 0.425 nan 8.270 nan 0.000 0.497 423 L N 1.783 123.057 121.223 0.085 0.000 2.436 423 L HA 0.122 4.464 4.340 0.003 0.000 0.265 423 L C 0.572 177.465 176.870 0.037 0.000 1.168 423 L CA -0.512 54.371 54.840 0.071 0.000 0.815 423 L CB 0.244 42.359 42.059 0.093 0.000 1.109 423 L HN -0.028 nan 8.230 nan 0.000 0.462 424 N N 0.551 119.264 118.700 0.022 0.000 2.518 424 N HA 0.026 4.768 4.740 0.003 0.000 0.266 424 N C 0.549 176.062 175.510 0.004 0.000 1.196 424 N CA 0.069 53.125 53.050 0.010 0.000 0.947 424 N CB 1.322 39.811 38.487 0.003 0.000 1.098 424 N HN 0.636 nan 8.380 nan 0.000 0.450 425 S N -1.242 114.458 115.700 0.001 0.000 3.445 425 S HA -0.201 4.271 4.470 0.003 0.000 0.319 425 S C -0.324 174.274 174.600 -0.003 0.000 1.209 425 S CA 1.018 59.214 58.200 -0.007 0.000 0.934 425 S CB -1.135 62.052 63.200 -0.022 0.000 0.999 425 S HN 0.916 nan 8.310 nan 0.000 0.582 426 A N 0.637 123.464 122.820 0.011 0.000 2.381 426 A HA 0.742 5.064 4.320 0.003 0.000 0.299 426 A C -0.492 177.102 177.584 0.017 0.000 1.049 426 A CA -0.633 51.417 52.037 0.023 0.000 0.715 426 A CB 1.232 20.262 19.000 0.049 0.000 1.222 426 A HN 0.057 nan 8.150 nan 0.000 0.428 427 K N 1.154 121.561 120.400 0.010 0.000 2.553 427 K HA 0.694 5.016 4.320 0.003 0.000 0.250 427 K C -1.067 175.508 176.600 -0.041 0.000 0.953 427 K CA -0.310 55.953 56.287 -0.040 0.000 0.800 427 K CB 1.996 34.460 32.500 -0.060 0.000 1.243 427 K HN 0.754 nan 8.250 nan 0.000 0.435 428 T N 0.968 115.446 114.554 -0.128 0.000 2.812 428 T HA 0.734 5.086 4.350 0.003 0.000 0.294 428 T C -1.516 172.992 174.700 -0.320 0.000 1.159 428 T CA -0.417 61.616 62.100 -0.113 0.000 1.008 428 T CB 0.808 69.682 68.868 0.010 0.000 1.289 428 T HN 0.335 nan 8.240 nan 0.000 0.514 429 Y N 0.084 120.294 120.300 -0.150 0.000 2.562 429 Y HA 0.703 5.255 4.550 0.003 0.000 0.343 429 Y C 0.343 176.174 175.900 -0.115 0.000 1.025 429 Y CA -1.072 56.934 58.100 -0.156 0.000 1.082 429 Y CB 1.904 40.224 38.460 -0.233 0.000 1.264 429 Y HN 0.769 nan 8.280 nan 0.000 0.478 430 A N 1.607 124.499 122.820 0.120 0.000 2.279 430 A HA 0.527 4.849 4.320 0.003 0.000 0.306 430 A C 0.033 177.689 177.584 0.120 0.000 1.300 430 A CA -0.391 51.690 52.037 0.073 0.000 0.925 430 A CB -0.645 18.328 19.000 -0.045 0.000 1.152 430 A HN 0.685 nan 8.150 nan 0.000 0.544 431 T N 0.441 115.063 114.554 0.113 0.000 2.934 431 T HA 0.716 5.068 4.350 0.003 0.000 0.283 431 T C -0.169 174.652 174.700 0.203 0.000 1.005 431 T CA -0.778 61.411 62.100 0.149 0.000 1.041 431 T CB 1.293 70.236 68.868 0.125 0.000 1.042 431 T HN 0.728 nan 8.240 nan 0.000 0.505 432 R N 0.790 121.386 120.500 0.160 0.000 2.533 432 R HA 0.508 4.850 4.340 0.003 0.000 0.288 432 R C -1.473 174.908 176.300 0.135 0.000 1.039 432 R CA -0.485 55.691 56.100 0.127 0.000 0.909 432 R CB 1.989 32.347 30.300 0.097 0.000 1.195 432 R HN 0.836 nan 8.270 nan 0.000 0.438 433 T N 5.306 119.939 114.554 0.131 0.000 2.807 433 T HA 0.462 4.814 4.350 0.003 0.000 0.279 433 T C -0.297 174.505 174.700 0.170 0.000 0.993 433 T CA -0.613 61.601 62.100 0.189 0.000 0.970 433 T CB 0.953 69.954 68.868 0.222 0.000 0.950 433 T HN 0.306 nan 8.240 nan 0.000 0.441 434 I N 4.058 124.760 120.570 0.220 0.000 2.359 434 I HA 0.471 4.643 4.170 0.003 0.000 0.294 434 I C -0.245 176.008 176.117 0.227 0.000 0.987 434 I CA -0.849 60.578 61.300 0.212 0.000 1.225 434 I CB 1.019 39.161 38.000 0.238 0.000 1.366 434 I HN 0.498 nan 8.210 nan 0.000 0.466 435 L N 6.011 127.363 121.223 0.215 0.000 2.354 435 L HA 0.523 4.865 4.340 0.003 0.000 0.269 435 L C -0.780 176.260 176.870 0.284 0.000 1.005 435 L CA -0.624 54.349 54.840 0.221 0.000 0.819 435 L CB 2.303 44.448 42.059 0.145 0.000 1.311 435 L HN 0.357 nan 8.230 nan 0.000 0.423 436 F N 2.893 122.897 119.950 0.091 0.000 2.482 436 F HA 0.582 5.110 4.527 0.003 0.000 0.331 436 F C -0.868 174.956 175.800 0.041 0.000 1.115 436 F CA -1.032 56.999 58.000 0.051 0.000 0.955 436 F CB 1.602 40.588 39.000 -0.023 0.000 1.136 436 F HN 0.261 nan 8.300 nan 0.000 0.452 437 L N 7.529 128.299 121.223 -0.754 0.000 2.295 437 L HA 0.433 4.775 4.340 0.003 0.000 0.288 437 L C -0.067 176.211 176.870 -0.986 0.000 1.079 437 L CA 0.018 54.493 54.840 -0.608 0.000 0.830 437 L CB 0.004 41.884 42.059 -0.297 0.000 1.200 437 L HN 0.636 nan 8.230 nan 0.000 0.438 438 R N 3.475 123.686 120.500 -0.481 0.000 2.707 438 R HA 0.095 4.437 4.340 0.003 0.000 0.270 438 R C 0.870 177.077 176.300 -0.155 0.000 1.083 438 R CA -0.342 55.637 56.100 -0.202 0.000 1.182 438 R CB 0.434 30.749 30.300 0.026 0.000 1.084 438 R HN 0.632 nan 8.270 nan 0.000 0.528 439 E N 1.098 121.293 120.200 -0.007 0.000 2.204 439 E HA -0.199 4.152 4.350 0.003 0.000 0.195 439 E C 0.849 177.455 176.600 0.009 0.000 0.990 439 E CA 1.442 57.858 56.400 0.026 0.000 0.821 439 E CB -0.017 29.758 29.700 0.125 0.000 0.750 439 E HN 0.588 nan 8.360 nan 0.000 0.477 440 D N -0.681 119.725 120.400 0.010 0.000 2.363 440 D HA -0.011 4.631 4.640 0.003 0.000 0.226 440 D C 1.253 177.542 176.300 -0.019 0.000 1.020 440 D CA 0.796 54.799 54.000 0.006 0.000 0.892 440 D CB 0.126 40.937 40.800 0.019 0.000 0.900 440 D HN 0.200 nan 8.370 nan 0.000 0.531 441 G N -0.227 108.541 108.800 -0.053 0.000 2.176 441 G HA2 -0.254 3.708 3.960 0.003 0.000 0.253 441 G HA3 -0.254 3.708 3.960 0.003 0.000 0.253 441 G C 0.451 175.294 174.900 -0.095 0.000 0.979 441 G CA 0.557 45.612 45.100 -0.075 0.000 0.641 441 G HN 0.822 nan 8.290 nan 0.000 0.530 442 T N -0.937 113.569 114.554 -0.080 0.000 2.943 442 T HA 0.761 5.113 4.350 0.003 0.000 0.284 442 T C 0.322 174.958 174.700 -0.106 0.000 1.015 442 T CA -0.905 61.148 62.100 -0.080 0.000 1.042 442 T CB 2.328 71.179 68.868 -0.028 0.000 1.055 442 T HN 0.455 nan 8.240 nan 0.000 0.500 443 L N 1.787 122.942 121.223 -0.113 0.000 2.334 443 L HA 0.569 4.911 4.340 0.003 0.000 0.277 443 L C 0.338 177.215 176.870 0.012 0.000 1.075 443 L CA -0.837 53.944 54.840 -0.098 0.000 0.804 443 L CB 1.188 43.150 42.059 -0.162 0.000 1.174 443 L HN 0.835 nan 8.230 nan 0.000 0.438 444 K N 2.930 123.383 120.400 0.088 0.000 2.427 444 K HA 0.615 4.937 4.320 0.003 0.000 0.252 444 K C -2.911 173.823 176.600 0.222 0.000 0.931 444 K CA -1.908 54.475 56.287 0.160 0.000 0.793 444 K CB 2.248 34.847 32.500 0.164 0.000 1.211 444 K HN 0.121 nan 8.250 nan 0.000 0.426 445 P HA 0.002 nan 4.420 nan 0.000 0.281 445 P C 0.448 177.932 177.300 0.307 0.000 1.252 445 P CA -0.576 62.776 63.100 0.419 0.000 0.778 445 P CB 1.458 33.604 31.700 0.742 0.000 0.895 446 V N -0.008 120.060 119.914 0.256 0.000 3.604 446 V HA 0.724 4.846 4.120 0.003 0.000 0.277 446 V C 0.394 176.548 176.094 0.099 0.000 1.399 446 V CA 0.276 62.635 62.300 0.098 0.000 1.034 446 V CB -0.248 31.604 31.823 0.048 0.000 0.824 446 V HN 0.680 nan 8.190 nan 0.000 0.439 447 A N -0.014 122.974 122.820 0.280 0.000 2.594 447 A HA 0.805 5.127 4.320 0.003 0.000 0.296 447 A C -1.537 176.284 177.584 0.395 0.000 1.056 447 A CA -0.402 51.820 52.037 0.308 0.000 0.693 447 A CB 1.289 20.408 19.000 0.199 0.000 1.278 447 A HN 0.270 nan 8.150 nan 0.000 0.408 448 I N 1.111 121.916 120.570 0.392 0.000 2.499 448 I HA 0.401 4.573 4.170 0.003 0.000 0.288 448 I C -0.279 175.925 176.117 0.146 0.000 1.048 448 I CA -0.228 61.216 61.300 0.241 0.000 1.062 448 I CB 2.147 40.221 38.000 0.123 0.000 1.238 448 I HN 0.834 nan 8.210 nan 0.000 0.426 449 E N 7.116 127.379 120.200 0.104 0.000 2.151 449 E HA 0.514 4.866 4.350 0.003 0.000 0.275 449 E C -1.463 175.141 176.600 0.006 0.000 0.936 449 E CA -0.599 55.836 56.400 0.059 0.000 0.777 449 E CB 1.258 31.002 29.700 0.073 0.000 1.108 449 E HN 0.510 nan 8.360 nan 0.000 0.401 450 L N 3.977 125.130 121.223 -0.117 0.000 2.301 450 L HA 0.368 4.710 4.340 0.003 0.000 0.278 450 L C -0.574 176.244 176.870 -0.087 0.000 1.022 450 L CA -0.531 54.099 54.840 -0.349 0.000 0.854 450 L CB 1.382 42.817 42.059 -1.039 0.000 1.226 450 L HN 0.439 nan 8.230 nan 0.000 0.429 451 S N 3.883 119.664 115.700 0.135 0.000 2.565 451 S HA 0.769 5.240 4.470 0.003 0.000 0.290 451 S C -0.288 174.439 174.600 0.213 0.000 1.150 451 S CA -0.560 57.769 58.200 0.215 0.000 1.058 451 S CB 1.969 65.326 63.200 0.260 0.000 1.032 451 S HN 0.351 nan 8.310 nan 0.000 0.510 452 L N 2.616 123.931 121.223 0.153 0.000 2.371 452 L HA 0.556 4.898 4.340 0.003 0.000 0.262 452 L C -2.628 174.103 176.870 -0.232 0.000 1.006 452 L CA -2.565 52.241 54.840 -0.057 0.000 0.818 452 L CB 2.300 44.289 42.059 -0.116 0.000 1.354 452 L HN 0.372 nan 8.230 nan 0.000 0.415 453 P HA 0.311 nan 4.420 nan 0.000 0.277 453 P C -1.550 175.504 177.300 -0.410 0.000 1.240 453 P CA -0.291 62.745 63.100 -0.106 0.000 0.798 453 P CB 0.569 32.326 31.700 0.096 0.000 0.979 454 H N -0.882 118.261 119.070 0.121 0.000 2.689 454 H HA 0.602 5.160 4.556 0.003 0.000 0.346 454 H C -0.350 175.008 175.328 0.051 0.000 1.037 454 H CA -0.381 55.712 56.048 0.074 0.000 1.234 454 H CB 1.513 31.317 29.762 0.069 0.000 1.572 454 H HN 0.367 nan 8.280 nan 0.000 0.524 455 S N 1.729 117.499 115.700 0.116 0.000 2.618 455 S HA 0.801 5.273 4.470 0.003 0.000 0.277 455 S C -0.416 174.214 174.600 0.049 0.000 1.138 455 S CA -0.932 57.299 58.200 0.052 0.000 0.844 455 S CB 1.643 64.842 63.200 -0.003 0.000 1.127 455 S HN 0.797 nan 8.310 nan 0.000 0.474 456 A N 0.307 123.142 122.820 0.026 0.000 2.540 456 A HA 0.543 4.865 4.320 0.003 0.000 0.239 456 A C 1.503 179.098 177.584 0.018 0.000 1.061 456 A CA 0.402 52.452 52.037 0.022 0.000 0.758 456 A CB -1.413 17.593 19.000 0.009 0.000 0.991 456 A HN 2.620 nan 8.150 nan 0.000 0.502 457 G N 1.948 110.762 108.800 0.022 0.000 2.159 457 G HA2 -0.196 3.766 3.960 0.003 0.000 0.256 457 G HA3 -0.196 3.766 3.960 0.003 0.000 0.256 457 G C -0.087 174.826 174.900 0.023 0.000 0.977 457 G CA 0.241 45.352 45.100 0.018 0.000 0.652 457 G HN 0.874 nan 8.290 nan 0.000 0.531 458 D N 0.128 120.549 120.400 0.035 0.000 2.487 458 D HA 0.245 4.887 4.640 0.003 0.000 0.243 458 D C 1.895 178.217 176.300 0.036 0.000 1.154 458 D CA -0.041 53.982 54.000 0.038 0.000 0.876 458 D CB 0.771 41.611 40.800 0.067 0.000 1.161 458 D HN 0.228 nan 8.370 nan 0.000 0.478 459 L N 1.386 122.624 121.223 0.026 0.000 2.156 459 L HA -0.074 4.268 4.340 0.003 0.000 0.208 459 L C 1.489 178.377 176.870 0.030 0.000 1.095 459 L CA 0.663 55.517 54.840 0.024 0.000 0.770 459 L CB -0.169 41.900 42.059 0.017 0.000 0.914 459 L HN 0.220 nan 8.230 nan 0.000 0.439 460 S N -0.267 115.452 115.700 0.031 0.000 2.549 460 S HA 0.351 4.823 4.470 0.003 0.000 0.279 460 S C 0.850 175.489 174.600 0.064 0.000 1.321 460 S CA -0.031 58.191 58.200 0.037 0.000 1.054 460 S CB 1.631 64.842 63.200 0.019 0.000 0.899 460 S HN 0.246 nan 8.310 nan 0.000 0.497 461 A N 4.064 126.921 122.820 0.062 0.000 2.308 461 A HA 0.603 4.925 4.320 0.003 0.000 0.217 461 A C 1.038 178.681 177.584 0.097 0.000 1.216 461 A CA 0.317 52.398 52.037 0.073 0.000 0.864 461 A CB -0.559 18.472 19.000 0.053 0.000 0.902 461 A HN 1.149 nan 8.150 nan 0.000 0.499 462 A N 0.379 123.258 122.820 0.099 0.000 2.498 462 A HA 0.481 4.803 4.320 0.003 0.000 0.239 462 A C 0.450 178.167 177.584 0.222 0.000 1.068 462 A CA 0.574 52.684 52.037 0.122 0.000 0.766 462 A CB -0.186 18.852 19.000 0.064 0.000 1.003 462 A HN 1.361 nan 8.150 nan 0.000 0.497 463 V N -0.133 119.917 119.914 0.226 0.000 3.126 463 V HA 0.775 4.897 4.120 0.003 0.000 0.314 463 V C 0.207 176.473 176.094 0.286 0.000 1.138 463 V CA -0.745 61.728 62.300 0.289 0.000 1.034 463 V CB 1.368 33.249 31.823 0.098 0.000 1.075 463 V HN 0.841 nan 8.190 nan 0.000 0.442 464 S N 2.188 118.076 115.700 0.315 0.000 2.572 464 S HA 0.488 4.960 4.470 0.003 0.000 0.279 464 S C -0.239 174.428 174.600 0.111 0.000 1.341 464 S CA -0.390 57.950 58.200 0.232 0.000 1.043 464 S CB 0.176 63.521 63.200 0.242 0.000 0.887 464 S HN 0.987 nan 8.310 nan 0.000 0.516 465 Q N -0.421 119.398 119.800 0.031 0.000 2.482 465 Q HA 0.685 5.027 4.340 0.003 0.000 0.286 465 Q C -1.943 174.053 176.000 -0.007 0.000 1.007 465 Q CA -1.055 54.756 55.803 0.014 0.000 0.801 465 Q CB 1.229 29.977 28.738 0.018 0.000 1.455 465 Q HN 0.356 nan 8.270 nan 0.000 0.398 466 V N 1.364 121.298 119.914 0.034 0.000 2.435 466 V HA 0.548 4.670 4.120 0.003 0.000 0.290 466 V C -0.557 175.590 176.094 0.089 0.000 1.030 466 V CA -0.597 61.740 62.300 0.062 0.000 0.881 466 V CB 1.669 33.537 31.823 0.075 0.000 0.983 466 V HN 0.626 nan 8.190 nan 0.000 0.445 467 V N 6.173 126.175 119.914 0.147 0.000 2.540 467 V HA 0.547 4.669 4.120 0.003 0.000 0.302 467 V C -0.263 176.023 176.094 0.320 0.000 1.035 467 V CA -0.549 61.887 62.300 0.227 0.000 0.873 467 V CB 1.821 33.804 31.823 0.267 0.000 0.992 467 V HN 0.627 nan 8.190 nan 0.000 0.428 468 L N 4.696 126.002 121.223 0.138 0.000 2.322 468 L HA 0.592 4.934 4.340 0.003 0.000 0.269 468 L C -2.454 174.043 176.870 -0.621 0.000 1.012 468 L CA -2.140 52.607 54.840 -0.154 0.000 0.815 468 L CB 2.035 44.012 42.059 -0.137 0.000 1.295 468 L HN 0.383 nan 8.230 nan 0.000 0.438 469 P HA 0.150 nan 4.420 nan 0.000 0.265 469 P C -1.192 175.629 177.300 -0.798 0.000 1.187 469 P CA 0.070 62.104 63.100 -1.776 0.000 0.766 469 P CB 0.667 31.665 31.700 -1.170 0.000 0.820 470 A N 2.572 125.015 122.820 -0.628 0.000 2.540 470 A HA 0.382 4.704 4.320 0.003 0.000 0.297 470 A C 0.209 177.710 177.584 -0.138 0.000 1.056 470 A CA -0.575 51.313 52.037 -0.248 0.000 0.700 470 A CB 1.272 20.203 19.000 -0.115 0.000 1.280 470 A HN 0.428 nan 8.150 nan 0.000 0.398 471 K N 0.376 120.713 120.400 -0.104 0.000 2.354 471 K HA 0.179 4.501 4.320 0.003 0.000 0.194 471 K C -0.025 176.537 176.600 -0.063 0.000 1.045 471 K CA 0.681 56.927 56.287 -0.068 0.000 1.026 471 K CB 0.640 33.099 32.500 -0.070 0.000 0.866 471 K HN 0.797 nan 8.250 nan 0.000 0.530 472 E N -0.224 119.940 120.200 -0.060 0.000 2.359 472 E HA 0.478 4.830 4.350 0.003 0.000 0.266 472 E C -0.155 176.417 176.600 -0.046 0.000 0.920 472 E CA -0.789 55.576 56.400 -0.058 0.000 0.788 472 E CB 1.915 31.586 29.700 -0.049 0.000 1.279 472 E HN 0.131 nan 8.360 nan 0.000 0.438 473 G N -0.139 108.631 108.800 -0.048 0.000 2.752 473 G HA2 -0.293 3.669 3.960 0.003 0.000 0.234 473 G HA3 -0.293 3.669 3.960 0.003 0.000 0.234 473 G C 0.624 175.508 174.900 -0.027 0.000 1.367 473 G CA -0.213 44.870 45.100 -0.028 0.000 0.879 473 G HN 0.548 nan 8.290 nan 0.000 0.563 474 V N 0.333 120.246 119.914 -0.003 0.000 2.594 474 V HA -0.076 4.046 4.120 0.003 0.000 0.253 474 V C 2.617 178.712 176.094 0.002 0.000 1.069 474 V CA 3.264 65.555 62.300 -0.017 0.000 1.082 474 V CB -0.583 31.237 31.823 -0.004 0.000 0.680 474 V HN 0.749 nan 8.190 nan 0.000 0.469 475 E N 0.783 120.999 120.200 0.027 0.000 2.110 475 E HA -0.165 4.187 4.350 0.003 0.000 0.193 475 E C 2.398 179.042 176.600 0.073 0.000 0.988 475 E CA 1.582 58.012 56.400 0.050 0.000 0.804 475 E CB -0.402 29.315 29.700 0.027 0.000 0.745 475 E HN 0.839 nan 8.360 nan 0.000 0.458 476 S N -0.606 115.116 115.700 0.036 0.000 2.402 476 S HA -0.111 4.361 4.470 0.003 0.000 0.229 476 S C 2.000 176.656 174.600 0.093 0.000 1.021 476 S CA 1.375 59.614 58.200 0.066 0.000 0.974 476 S CB -0.486 62.705 63.200 -0.015 0.000 0.800 476 S HN 0.144 nan 8.310 nan 0.000 0.484 477 T N 2.585 117.162 114.554 0.039 0.000 2.857 477 T HA 0.204 4.555 4.350 0.003 0.000 0.266 477 T C 1.690 176.451 174.700 0.101 0.000 1.048 477 T CA 1.283 63.422 62.100 0.066 0.000 1.139 477 T CB -0.414 68.476 68.868 0.037 0.000 0.874 477 T HN 0.403 nan 8.240 nan 0.000 0.455 478 I N 0.252 120.877 120.570 0.090 0.000 2.226 478 I HA -0.151 4.021 4.170 0.003 0.000 0.245 478 I C 2.434 178.653 176.117 0.170 0.000 1.100 478 I CA 1.157 62.525 61.300 0.114 0.000 1.374 478 I CB -0.282 37.780 38.000 0.104 0.000 1.057 478 I HN 0.453 nan 8.210 nan 0.000 0.413 479 W N 1.562 122.863 121.300 0.001 0.000 2.381 479 W HA -0.233 4.429 4.660 0.003 0.000 0.301 479 W C 2.269 178.769 176.519 -0.031 0.000 1.205 479 W CA 0.977 58.308 57.345 -0.023 0.000 1.285 479 W CB -0.106 29.326 29.460 -0.047 0.000 1.133 479 W HN 0.147 nan 8.180 nan 0.000 0.521 480 L N 1.512 122.715 121.223 -0.034 0.000 2.046 480 L HA -0.183 4.159 4.340 0.003 0.000 0.208 480 L C 2.447 179.312 176.870 -0.009 0.000 1.077 480 L CA 1.893 56.679 54.840 -0.090 0.000 0.747 480 L CB -1.073 41.038 42.059 0.086 0.000 0.896 480 L HN -0.035 nan 8.230 nan 0.000 0.432 481 L N -0.800 120.450 121.223 0.044 0.000 2.056 481 L HA -0.148 4.194 4.340 0.003 0.000 0.207 481 L C 2.681 179.482 176.870 -0.115 0.000 1.078 481 L CA 1.070 55.876 54.840 -0.058 0.000 0.749 481 L CB -0.932 41.143 42.059 0.027 0.000 0.901 481 L HN 0.366 nan 8.230 nan 0.000 0.433 482 A N 0.163 122.954 122.820 -0.048 0.000 1.940 482 A HA -0.224 4.098 4.320 0.003 0.000 0.219 482 A C 2.327 179.765 177.584 -0.244 0.000 1.176 482 A CA 1.665 53.677 52.037 -0.043 0.000 0.631 482 A CB -0.343 18.576 19.000 -0.134 0.000 0.814 482 A HN 0.320 nan 8.150 nan 0.000 0.446 483 K N -0.409 119.651 120.400 -0.565 0.000 2.097 483 K HA -0.055 4.267 4.320 0.003 0.000 0.206 483 K C 2.308 178.790 176.600 -0.197 0.000 1.049 483 K CA 1.036 56.938 56.287 -0.642 0.000 0.933 483 K CB -0.314 31.543 32.500 -1.073 0.000 0.717 483 K HN 0.454 nan 8.250 nan 0.000 0.442 484 A N 0.754 123.471 122.820 -0.172 0.000 1.902 484 A HA -0.175 4.147 4.320 0.003 0.000 0.217 484 A C 1.859 179.318 177.584 -0.207 0.000 1.181 484 A CA 1.295 53.212 52.037 -0.200 0.000 0.623 484 A CB -0.725 17.989 19.000 -0.476 0.000 0.818 484 A HN 0.246 nan 8.150 nan 0.000 0.443 485 Y N -0.186 120.071 120.300 -0.070 0.000 2.181 485 Y HA -0.156 4.396 4.550 0.003 0.000 0.288 485 Y C 2.618 178.493 175.900 -0.042 0.000 1.146 485 Y CA 1.233 59.316 58.100 -0.029 0.000 1.164 485 Y CB -0.795 37.695 38.460 0.050 0.000 0.982 485 Y HN 0.093 nan 8.280 nan 0.000 0.515 486 V N -0.132 119.868 119.914 0.143 0.000 2.295 486 V HA -0.287 3.835 4.120 0.003 0.000 0.246 486 V C 2.201 178.368 176.094 0.122 0.000 1.049 486 V CA 1.464 63.859 62.300 0.159 0.000 1.024 486 V CB -0.590 31.403 31.823 0.283 0.000 0.648 486 V HN 0.319 nan 8.190 nan 0.000 0.447 487 I N -0.282 120.371 120.570 0.138 0.000 2.493 487 I HA -0.135 4.037 4.170 0.003 0.000 0.254 487 I C 2.431 178.555 176.117 0.012 0.000 1.160 487 I CA 1.199 62.557 61.300 0.097 0.000 1.445 487 I CB -1.156 36.917 38.000 0.121 0.000 1.086 487 I HN 0.163 nan 8.210 nan 0.000 0.433 488 V N 1.315 121.209 119.914 -0.033 0.000 2.343 488 V HA -0.282 3.840 4.120 0.003 0.000 0.247 488 V C 2.196 178.234 176.094 -0.093 0.000 1.051 488 V CA 1.892 64.163 62.300 -0.049 0.000 1.036 488 V CB -0.818 30.973 31.823 -0.053 0.000 0.654 488 V HN 0.480 nan 8.190 nan 0.000 0.451 489 N N -0.119 118.420 118.700 -0.268 0.000 2.069 489 N HA -0.247 4.495 4.740 0.003 0.000 0.191 489 N C 1.671 176.878 175.510 -0.505 0.000 1.031 489 N CA 1.696 54.325 53.050 -0.702 0.000 0.852 489 N CB -0.171 37.744 38.487 -0.953 0.000 1.018 489 N HN 0.548 nan 8.380 nan 0.000 0.423 490 D N 0.114 120.338 120.400 -0.293 0.000 2.117 490 D HA -0.049 4.593 4.640 0.003 0.000 0.197 490 D C 1.821 178.223 176.300 0.170 0.000 0.987 490 D CA 0.961 54.946 54.000 -0.024 0.000 0.829 490 D CB 0.142 41.045 40.800 0.172 0.000 0.961 490 D HN 0.016 nan 8.370 nan 0.000 0.460 491 S N -1.054 114.743 115.700 0.161 0.000 2.368 491 S HA -0.160 4.312 4.470 0.003 0.000 0.225 491 S C 2.214 177.058 174.600 0.406 0.000 1.030 491 S CA 0.821 59.200 58.200 0.298 0.000 0.999 491 S CB -0.367 62.980 63.200 0.245 0.000 0.844 491 S HN 0.485 nan 8.310 nan 0.000 0.459 492 C N 0.141 119.649 119.300 0.347 0.000 2.432 492 C HA -0.049 4.413 4.460 0.003 0.000 0.277 492 C C 2.331 177.435 174.990 0.189 0.000 1.249 492 C CA 0.401 59.601 59.018 0.303 0.000 1.725 492 C CB -1.302 26.681 27.740 0.404 0.000 2.028 492 C HN 0.687 nan 8.230 nan 0.000 0.477 493 Y N 0.447 120.839 120.300 0.154 0.000 2.181 493 Y HA -0.217 4.335 4.550 0.003 0.000 0.288 493 Y C 2.849 178.847 175.900 0.163 0.000 1.146 493 Y CA 2.231 60.419 58.100 0.148 0.000 1.164 493 Y CB -0.686 37.897 38.460 0.205 0.000 0.982 493 Y HN 0.506 nan 8.280 nan 0.000 0.515 494 H N -0.429 118.811 119.070 0.282 0.000 2.321 494 H HA -0.204 4.354 4.556 0.003 0.000 0.300 494 H C 2.055 177.450 175.328 0.111 0.000 1.087 494 H CA 2.009 58.185 56.048 0.214 0.000 1.319 494 H CB -0.062 29.825 29.762 0.209 0.000 1.379 494 H HN 0.378 nan 8.280 nan 0.000 0.501 495 Q N 0.775 120.509 119.800 -0.110 0.000 2.079 495 Q HA -0.033 4.309 4.340 0.003 0.000 0.200 495 Q C 2.636 178.466 176.000 -0.282 0.000 0.974 495 Q CA 1.533 57.143 55.803 -0.322 0.000 0.840 495 Q CB -0.243 28.151 28.738 -0.574 0.000 0.898 495 Q HN 0.562 nan 8.270 nan 0.000 0.430 496 L N -1.129 119.947 121.223 -0.245 0.000 2.162 496 L HA -0.008 4.334 4.340 0.003 0.000 0.205 496 L C 1.841 178.671 176.870 -0.067 0.000 1.086 496 L CA 0.412 55.163 54.840 -0.149 0.000 0.778 496 L CB -0.201 41.735 42.059 -0.206 0.000 0.928 496 L HN 0.277 nan 8.230 nan 0.000 0.446 497 M N -1.502 117.953 119.600 -0.243 0.000 2.940 497 M HA 0.119 4.601 4.480 0.003 0.000 0.248 497 M C 2.399 178.626 176.300 -0.122 0.000 1.379 497 M CA 0.876 56.001 55.300 -0.291 0.000 1.262 497 M CB -1.117 30.960 32.600 -0.871 0.000 1.201 497 M HN -0.095 nan 8.290 nan 0.000 0.553 498 S N -0.068 115.574 115.700 -0.096 0.000 2.382 498 S HA -0.157 4.314 4.470 0.003 0.000 0.228 498 S C 1.880 176.497 174.600 0.027 0.000 1.027 498 S CA 1.693 59.925 58.200 0.053 0.000 0.991 498 S CB -0.429 62.866 63.200 0.159 0.000 0.823 498 S HN 0.571 nan 8.310 nan 0.000 0.469 499 H N -0.759 118.208 119.070 -0.171 0.000 2.283 499 H HA 0.055 4.613 4.556 0.003 0.000 0.320 499 H C 2.089 177.476 175.328 0.099 0.000 1.074 499 H CA 0.631 56.634 56.048 -0.074 0.000 1.476 499 H CB -0.285 29.312 29.762 -0.274 0.000 1.465 499 H HN 0.392 nan 8.280 nan 0.000 0.573 500 W N 1.265 122.662 121.300 0.162 0.000 2.332 500 W HA -0.239 4.423 4.660 0.003 0.000 0.321 500 W C 1.950 178.510 176.519 0.069 0.000 1.219 500 W CA 1.588 58.981 57.345 0.080 0.000 1.277 500 W CB -0.601 28.779 29.460 -0.133 0.000 1.161 500 W HN 0.407 nan 8.180 nan 0.000 0.476 501 L N 2.256 123.370 121.223 -0.181 0.000 2.005 501 L HA -0.209 4.133 4.340 0.003 0.000 0.207 501 L C 2.015 178.740 176.870 -0.243 0.000 1.072 501 L CA 2.346 56.989 54.840 -0.328 0.000 0.744 501 L CB -1.411 40.590 42.059 -0.097 0.000 0.895 501 L HN -0.127 nan 8.230 nan 0.000 0.433 502 N N -1.029 117.661 118.700 -0.016 0.000 2.381 502 N HA -0.100 4.642 4.740 0.003 0.000 0.182 502 N C 1.511 177.097 175.510 0.128 0.000 1.025 502 N CA 1.484 54.627 53.050 0.154 0.000 0.888 502 N CB -0.292 38.335 38.487 0.232 0.000 0.965 502 N HN 0.716 nan 8.380 nan 0.000 0.438 503 T N -2.782 111.786 114.554 0.023 0.000 3.499 503 T HA 0.087 4.439 4.350 0.003 0.000 0.227 503 T C 1.617 176.229 174.700 -0.147 0.000 0.946 503 T CA 0.027 62.123 62.100 -0.008 0.000 1.368 503 T CB -0.337 68.538 68.868 0.010 0.000 1.227 503 T HN 0.023 nan 8.240 nan 0.000 0.398 504 H N 1.800 120.713 119.070 -0.262 0.000 2.265 504 H HA -0.038 4.520 4.556 0.003 0.000 0.293 504 H C 2.686 177.653 175.328 -0.602 0.000 1.089 504 H CA 2.086 57.869 56.048 -0.441 0.000 1.244 504 H CB -0.565 28.812 29.762 -0.642 0.000 1.355 504 H HN 0.576 nan 8.280 nan 0.000 0.485 505 A N 0.994 123.309 122.820 -0.842 0.000 1.897 505 A HA 0.051 4.372 4.320 0.003 0.000 0.215 505 A C 2.658 179.983 177.584 -0.432 0.000 1.181 505 A CA 1.323 52.939 52.037 -0.701 0.000 0.620 505 A CB -0.666 17.743 19.000 -0.986 0.000 0.821 505 A HN 0.443 nan 8.150 nan 0.000 0.443 506 A N -1.146 121.477 122.820 -0.330 0.000 1.969 506 A HA -0.070 4.252 4.320 0.003 0.000 0.218 506 A C 2.109 179.831 177.584 0.230 0.000 1.169 506 A CA 2.091 54.084 52.037 -0.073 0.000 0.635 506 A CB -0.404 18.632 19.000 0.060 0.000 0.810 506 A HN 0.517 nan 8.150 nan 0.000 0.445 507 M N -0.322 119.382 119.600 0.174 0.000 2.288 507 M HA 0.044 4.526 4.480 0.003 0.000 0.266 507 M C 1.714 178.112 176.300 0.162 0.000 1.072 507 M CA 1.722 57.218 55.300 0.327 0.000 1.132 507 M CB -0.409 32.313 32.600 0.204 0.000 1.386 507 M HN 0.546 nan 8.290 nan 0.000 0.432 508 E N -0.102 120.094 120.200 -0.007 0.000 2.097 508 E HA -0.195 4.157 4.350 0.003 0.000 0.196 508 E C -0.981 175.577 176.600 -0.069 0.000 1.000 508 E CA 1.538 57.912 56.400 -0.044 0.000 0.804 508 E CB -0.870 28.811 29.700 -0.032 0.000 0.740 508 E HN 0.346 nan 8.360 nan 0.000 0.454 509 P HA -0.143 nan 4.420 nan 0.000 0.218 509 P C 0.602 177.815 177.300 -0.145 0.000 1.148 509 P CA 1.200 64.184 63.100 -0.193 0.000 0.822 509 P CB -0.079 31.256 31.700 -0.607 0.000 0.784 510 F N -1.349 118.649 119.950 0.081 0.000 2.259 510 F HA -0.103 4.426 4.527 0.003 0.000 0.298 510 F C 2.273 178.042 175.800 -0.052 0.000 1.088 510 F CA 0.809 58.881 58.000 0.120 0.000 1.358 510 F CB -1.576 37.588 39.000 0.274 0.000 1.040 510 F HN -0.261 nan 8.300 nan 0.000 0.505 511 V N 0.401 120.187 119.914 -0.215 0.000 2.307 511 V HA -0.284 3.838 4.120 0.003 0.000 0.245 511 V C 2.332 178.440 176.094 0.023 0.000 1.045 511 V CA 1.729 63.725 62.300 -0.508 0.000 1.024 511 V CB -0.647 30.962 31.823 -0.357 0.000 0.651 511 V HN 0.258 nan 8.190 nan 0.000 0.449 512 I N 0.684 121.288 120.570 0.057 0.000 2.127 512 I HA -0.267 3.905 4.170 0.003 0.000 0.241 512 I C 2.738 178.915 176.117 0.100 0.000 1.075 512 I CA 1.683 63.014 61.300 0.052 0.000 1.334 512 I CB -0.704 37.135 38.000 -0.268 0.000 1.040 512 I HN 0.282 nan 8.210 nan 0.000 0.405 513 A N 0.351 123.311 122.820 0.234 0.000 1.908 513 A HA -0.241 4.081 4.320 0.003 0.000 0.218 513 A C 2.385 180.326 177.584 0.596 0.000 1.181 513 A CA 2.641 54.932 52.037 0.424 0.000 0.627 513 A CB -1.219 17.949 19.000 0.280 0.000 0.818 513 A HN 0.433 nan 8.150 nan 0.000 0.445 514 T N -0.865 114.034 114.554 0.575 0.000 2.684 514 T HA -0.150 4.202 4.350 0.003 0.000 0.267 514 T C 1.813 176.577 174.700 0.107 0.000 1.036 514 T CA 1.557 63.883 62.100 0.377 0.000 1.148 514 T CB -0.471 68.583 68.868 0.310 0.000 0.863 514 T HN 0.628 nan 8.240 nan 0.000 0.436 515 H N 0.746 119.828 119.070 0.019 0.000 2.462 515 H HA 0.149 4.707 4.556 0.003 0.000 0.292 515 H C 2.499 177.720 175.328 -0.178 0.000 1.049 515 H CA 0.863 56.785 56.048 -0.211 0.000 1.334 515 H CB 0.091 29.199 29.762 -1.091 0.000 1.404 515 H HN 0.294 nan 8.280 nan 0.000 0.544 516 R N -0.420 120.079 120.500 -0.002 0.000 2.153 516 R HA -0.038 4.304 4.340 0.003 0.000 0.218 516 R C 1.147 177.249 176.300 -0.330 0.000 1.072 516 R CA 0.811 56.839 56.100 -0.120 0.000 0.990 516 R CB 0.259 30.506 30.300 -0.088 0.000 0.889 516 R HN 0.429 nan 8.270 nan 0.000 0.452 517 H N -1.443 117.735 119.070 0.179 0.000 3.440 517 H HA 0.258 4.816 4.556 0.003 0.000 0.259 517 H C -0.097 175.272 175.328 0.068 0.000 1.120 517 H CA 0.041 56.191 56.048 0.170 0.000 1.191 517 H CB 0.972 30.918 29.762 0.307 0.000 1.537 517 H HN -0.033 nan 8.280 nan 0.000 0.547 518 L N 1.959 123.232 121.223 0.082 0.000 2.287 518 L HA 0.264 4.606 4.340 0.003 0.000 0.287 518 L C 0.690 177.511 176.870 -0.082 0.000 1.022 518 L CA -0.546 54.237 54.840 -0.095 0.000 0.814 518 L CB 1.973 43.863 42.059 -0.282 0.000 1.217 518 L HN -0.016 nan 8.230 nan 0.000 0.420 519 S N 1.605 117.236 115.700 -0.115 0.000 2.579 519 S HA 0.066 4.538 4.470 0.003 0.000 0.275 519 S C 1.408 175.660 174.600 -0.581 0.000 1.345 519 S CA -0.484 57.553 58.200 -0.271 0.000 1.031 519 S CB 1.391 64.458 63.200 -0.222 0.000 0.892 519 S HN 0.473 nan 8.310 nan 0.000 0.529 520 V N 3.508 122.942 119.914 -0.800 0.000 2.828 520 V HA -0.108 4.014 4.120 0.003 0.000 0.260 520 V C 1.803 177.610 176.094 -0.479 0.000 1.101 520 V CA 1.742 63.410 62.300 -1.053 0.000 1.123 520 V CB -1.223 30.315 31.823 -0.474 0.000 0.704 520 V HN 0.803 nan 8.190 nan 0.000 0.493 521 L N -0.855 120.143 121.223 -0.375 0.000 2.418 521 L HA 0.139 4.481 4.340 0.003 0.000 0.218 521 L C 1.611 178.399 176.870 -0.137 0.000 1.125 521 L CA 0.350 55.050 54.840 -0.235 0.000 0.835 521 L CB -0.596 41.314 42.059 -0.249 0.000 0.953 521 L HN 0.397 nan 8.230 nan 0.000 0.454 522 H N 2.434 121.393 119.070 -0.185 0.000 2.886 522 H HA 0.027 4.585 4.556 0.003 0.000 0.329 522 H C -1.525 173.747 175.328 -0.092 0.000 1.044 522 H CA -1.478 54.502 56.048 -0.113 0.000 1.456 522 H CB 1.568 31.285 29.762 -0.076 0.000 1.464 522 H HN -0.081 nan 8.280 nan 0.000 0.573 523 P HA -0.167 nan 4.420 nan 0.000 0.218 523 P C 1.545 178.961 177.300 0.194 0.000 1.148 523 P CA 0.868 63.830 63.100 -0.230 0.000 0.822 523 P CB 0.518 31.594 31.700 -1.039 0.000 0.784 524 I N -1.659 119.137 120.570 0.377 0.000 2.500 524 I HA -0.168 4.004 4.170 0.003 0.000 0.252 524 I C 2.591 178.675 176.117 -0.055 0.000 1.142 524 I CA 0.824 62.182 61.300 0.097 0.000 1.451 524 I CB -1.671 36.265 38.000 -0.106 0.000 1.093 524 I HN -0.081 nan 8.210 nan 0.000 0.430 525 Y N 2.638 122.871 120.300 -0.112 0.000 2.145 525 Y HA -0.242 4.310 4.550 0.003 0.000 0.286 525 Y C 2.508 178.327 175.900 -0.134 0.000 1.145 525 Y CA 1.893 59.889 58.100 -0.172 0.000 1.148 525 Y CB -0.141 38.243 38.460 -0.126 0.000 0.981 525 Y HN 0.038 nan 8.280 nan 0.000 0.507 526 K N -0.414 120.106 120.400 0.199 0.000 2.148 526 K HA -0.158 4.164 4.320 0.003 0.000 0.204 526 K C 1.923 178.423 176.600 -0.166 0.000 1.050 526 K CA 1.375 57.726 56.287 0.107 0.000 0.942 526 K CB -0.356 32.335 32.500 0.317 0.000 0.724 526 K HN 0.314 nan 8.250 nan 0.000 0.446 527 L N 1.021 122.117 121.223 -0.212 0.000 2.072 527 L HA -0.095 4.247 4.340 0.003 0.000 0.205 527 L C 1.776 178.492 176.870 -0.256 0.000 1.079 527 L CA 1.565 56.167 54.840 -0.397 0.000 0.752 527 L CB -0.086 41.675 42.059 -0.497 0.000 0.906 527 L HN 0.083 nan 8.230 nan 0.000 0.436 528 L N -1.355 119.690 121.223 -0.298 0.000 2.298 528 L HA -0.025 4.317 4.340 0.003 0.000 0.209 528 L C 2.433 178.825 176.870 -0.796 0.000 1.084 528 L CA 1.049 55.659 54.840 -0.384 0.000 0.816 528 L CB -1.061 40.813 42.059 -0.309 0.000 0.967 528 L HN 0.387 nan 8.230 nan 0.000 0.460 529 T N -2.209 111.865 114.554 -0.799 0.000 2.849 529 T HA -0.098 4.254 4.350 0.003 0.000 0.270 529 T C -0.572 173.806 174.700 -0.537 0.000 1.066 529 T CA 0.761 62.386 62.100 -0.792 0.000 1.130 529 T CB -1.556 66.856 68.868 -0.760 0.000 0.864 529 T HN 0.158 nan 8.240 nan 0.000 0.481 530 P HA -0.052 nan 4.420 nan 0.000 0.220 530 P C 1.140 178.120 177.300 -0.533 0.000 1.148 530 P CA 0.925 63.721 63.100 -0.508 0.000 0.803 530 P CB -0.172 31.131 31.700 -0.661 0.000 0.782 531 H N -2.748 116.146 119.070 -0.293 0.000 2.547 531 H HA 0.085 4.643 4.556 0.003 0.000 0.266 531 H C 0.448 175.789 175.328 0.022 0.000 0.988 531 H CA 0.790 56.745 56.048 -0.155 0.000 1.147 531 H CB -0.029 29.642 29.762 -0.152 0.000 1.365 531 H HN 0.288 nan 8.280 nan 0.000 0.589 532 Y N -0.024 120.304 120.300 0.047 0.000 2.481 532 Y HA 0.172 4.724 4.550 0.003 0.000 0.247 532 Y C 1.330 177.264 175.900 0.055 0.000 1.151 532 Y CA -0.960 57.186 58.100 0.077 0.000 1.238 532 Y CB 0.002 38.533 38.460 0.118 0.000 1.179 532 Y HN -0.064 nan 8.280 nan 0.000 0.524 533 R N 2.378 122.963 120.500 0.141 0.000 2.485 533 R HA -0.164 4.177 4.340 0.003 0.000 0.304 533 R C 0.593 176.953 176.300 0.101 0.000 0.934 533 R CA 0.917 57.076 56.100 0.099 0.000 1.102 533 R CB -0.187 30.129 30.300 0.026 0.000 0.906 533 R HN 0.371 nan 8.270 nan 0.000 0.407 534 N N 1.675 120.442 118.700 0.112 0.000 2.900 534 N HA -0.319 4.423 4.740 0.003 0.000 0.240 534 N C 0.473 176.043 175.510 0.101 0.000 0.953 534 N CA 1.735 54.848 53.050 0.106 0.000 0.950 534 N CB -1.377 37.181 38.487 0.119 0.000 1.102 534 N HN 0.860 nan 8.380 nan 0.000 0.593 535 N N -0.608 118.149 118.700 0.095 0.000 2.058 535 N HA -0.073 4.669 4.740 0.003 0.000 0.191 535 N C 1.683 177.247 175.510 0.090 0.000 1.037 535 N CA 1.530 54.622 53.050 0.070 0.000 0.848 535 N CB -0.099 38.424 38.487 0.060 0.000 1.021 535 N HN 0.356 nan 8.380 nan 0.000 0.422 536 M N 0.275 119.919 119.600 0.074 0.000 2.213 536 M HA -0.136 4.346 4.480 0.003 0.000 0.263 536 M C 1.873 178.201 176.300 0.046 0.000 1.062 536 M CA 1.058 56.385 55.300 0.046 0.000 1.105 536 M CB -0.323 32.276 32.600 -0.002 0.000 1.385 536 M HN 0.238 nan 8.290 nan 0.000 0.417 537 N N 1.360 120.088 118.700 0.048 0.000 2.039 537 N HA -0.155 4.587 4.740 0.003 0.000 0.193 537 N C 1.492 177.054 175.510 0.088 0.000 1.044 537 N CA 1.804 54.881 53.050 0.045 0.000 0.847 537 N CB -0.275 38.244 38.487 0.053 0.000 1.030 537 N HN 0.382 nan 8.380 nan 0.000 0.422 538 I N -0.935 119.715 120.570 0.132 0.000 2.361 538 I HA -0.073 4.099 4.170 0.003 0.000 0.251 538 I C 1.555 177.802 176.117 0.218 0.000 1.133 538 I CA 1.429 62.833 61.300 0.174 0.000 1.413 538 I CB -0.968 37.176 38.000 0.240 0.000 1.073 538 I HN -0.018 nan 8.210 nan 0.000 0.424 539 N N 1.686 120.542 118.700 0.260 0.000 2.142 539 N HA -0.056 4.686 4.740 0.003 0.000 0.186 539 N C 1.970 177.631 175.510 0.251 0.000 1.023 539 N CA 1.885 55.149 53.050 0.356 0.000 0.852 539 N CB -0.566 38.109 38.487 0.313 0.000 0.998 539 N HN 0.593 nan 8.380 nan 0.000 0.424 540 A N 0.674 123.586 122.820 0.153 0.000 1.898 540 A HA -0.023 4.299 4.320 0.003 0.000 0.216 540 A C 2.234 179.823 177.584 0.008 0.000 1.181 540 A CA 0.890 53.011 52.037 0.140 0.000 0.620 540 A CB -0.721 18.352 19.000 0.121 0.000 0.819 540 A HN 0.233 nan 8.150 nan 0.000 0.442 541 L N -0.824 120.390 121.223 -0.015 0.000 2.201 541 L HA -0.157 4.184 4.340 0.003 0.000 0.212 541 L C 2.974 179.755 176.870 -0.148 0.000 1.105 541 L CA 0.830 55.603 54.840 -0.112 0.000 0.775 541 L CB -0.404 41.631 42.059 -0.040 0.000 0.913 541 L HN 0.446 nan 8.230 nan 0.000 0.440 542 A N 0.089 122.875 122.820 -0.057 0.000 1.897 542 A HA -0.134 4.188 4.320 0.003 0.000 0.215 542 A C 2.367 179.830 177.584 -0.202 0.000 1.181 542 A CA 0.967 52.928 52.037 -0.128 0.000 0.620 542 A CB -0.335 18.631 19.000 -0.058 0.000 0.821 542 A HN 0.288 nan 8.150 nan 0.000 0.443 543 R N -0.606 119.841 120.500 -0.088 0.000 2.152 543 R HA -0.157 4.185 4.340 0.003 0.000 0.232 543 R C 2.370 178.542 176.300 -0.214 0.000 1.117 543 R CA 1.499 57.580 56.100 -0.032 0.000 0.981 543 R CB -0.224 30.203 30.300 0.211 0.000 0.870 543 R HN 0.798 nan 8.270 nan 0.000 0.451 544 Q N -0.302 119.148 119.800 -0.583 0.000 2.163 544 Q HA -0.007 4.335 4.340 0.003 0.000 0.198 544 Q C 0.888 176.642 176.000 -0.411 0.000 0.954 544 Q CA 1.276 56.551 55.803 -0.879 0.000 0.851 544 Q CB 0.471 28.381 28.738 -1.381 0.000 0.928 544 Q HN 0.127 nan 8.270 nan 0.000 0.459 545 S N -0.823 114.695 115.700 -0.302 0.000 2.651 545 S HA 0.115 4.587 4.470 0.003 0.000 0.259 545 S C 0.976 175.473 174.600 -0.171 0.000 1.073 545 S CA -0.307 57.773 58.200 -0.200 0.000 1.090 545 S CB 0.529 63.631 63.200 -0.163 0.000 1.042 545 S HN 0.254 nan 8.310 nan 0.000 0.581 546 L N 2.066 123.163 121.223 -0.210 0.000 2.269 546 L HA 0.484 4.826 4.340 0.003 0.000 0.200 546 L C 1.246 177.940 176.870 -0.293 0.000 1.069 546 L CA 1.217 55.919 54.840 -0.230 0.000 0.804 546 L CB -0.026 41.874 42.059 -0.264 0.000 0.987 546 L HN 0.394 nan 8.230 nan 0.000 0.468 547 I N -1.368 118.980 120.570 -0.370 0.000 3.914 547 I HA 0.259 4.431 4.170 0.003 0.000 0.333 547 I C 0.011 175.968 176.117 -0.267 0.000 1.449 547 I CA -0.624 60.433 61.300 -0.406 0.000 1.135 547 I CB -0.627 36.969 38.000 -0.674 0.000 1.073 547 I HN 0.194 nan 8.210 nan 0.000 0.401 548 N N 2.386 120.967 118.700 -0.198 0.000 2.408 548 N HA 0.252 4.994 4.740 0.003 0.000 0.260 548 N C 0.107 175.542 175.510 -0.125 0.000 1.242 548 N CA -0.230 52.742 53.050 -0.131 0.000 0.959 548 N CB 0.985 39.407 38.487 -0.108 0.000 1.201 548 N HN 0.178 nan 8.380 nan 0.000 0.511 549 A N 0.708 123.469 122.820 -0.100 0.000 2.522 549 A HA 0.097 4.419 4.320 0.003 0.000 0.256 549 A C 0.585 178.116 177.584 -0.088 0.000 1.086 549 A CA 0.077 52.054 52.037 -0.100 0.000 0.763 549 A CB -1.237 17.712 19.000 -0.084 0.000 1.024 549 A HN 0.899 nan 8.150 nan 0.000 0.502 550 N N -0.046 118.598 118.700 -0.092 0.000 2.782 550 N HA -0.151 4.590 4.740 0.003 0.000 0.251 550 N C 0.578 176.044 175.510 -0.073 0.000 1.101 550 N CA 1.445 54.450 53.050 -0.076 0.000 0.764 550 N CB -1.298 37.151 38.487 -0.063 0.000 1.122 550 N HN 1.169 nan 8.380 nan 0.000 0.561 551 G N -0.404 108.342 108.800 -0.091 0.000 2.553 551 G HA2 0.415 4.376 3.960 0.003 0.000 0.278 551 G HA3 0.415 4.376 3.960 0.003 0.000 0.278 551 G C 1.414 176.270 174.900 -0.072 0.000 1.349 551 G CA -0.108 44.935 45.100 -0.095 0.000 1.037 551 G HN 0.184 nan 8.290 nan 0.000 0.508 552 I N -0.168 120.362 120.570 -0.068 0.000 2.163 552 I HA -0.170 4.002 4.170 0.003 0.000 0.243 552 I C 2.528 178.653 176.117 0.014 0.000 1.085 552 I CA 0.806 62.093 61.300 -0.022 0.000 1.347 552 I CB -0.209 37.782 38.000 -0.014 0.000 1.044 552 I HN 0.265 nan 8.210 nan 0.000 0.408 553 I N 0.763 121.310 120.570 -0.039 0.000 2.226 553 I HA -0.244 3.928 4.170 0.003 0.000 0.245 553 I C 2.483 178.629 176.117 0.049 0.000 1.100 553 I CA 1.686 62.987 61.300 0.001 0.000 1.374 553 I CB -1.247 36.610 38.000 -0.239 0.000 1.057 553 I HN 0.341 nan 8.210 nan 0.000 0.413 554 E N 0.245 120.418 120.200 -0.045 0.000 2.204 554 E HA -0.177 4.175 4.350 0.003 0.000 0.195 554 E C 1.837 178.429 176.600 -0.013 0.000 0.990 554 E CA 1.791 58.166 56.400 -0.043 0.000 0.821 554 E CB -0.061 29.582 29.700 -0.095 0.000 0.750 554 E HN 0.591 nan 8.360 nan 0.000 0.477 555 T N -2.346 112.202 114.554 -0.011 0.000 3.107 555 T HA 0.018 4.369 4.350 0.003 0.000 0.249 555 T C 1.718 176.405 174.700 -0.021 0.000 1.096 555 T CA 0.938 63.023 62.100 -0.024 0.000 1.012 555 T CB 0.185 69.031 68.868 -0.037 0.000 0.977 555 T HN 0.136 nan 8.240 nan 0.000 0.527 556 T N -2.194 112.378 114.554 0.029 0.000 2.958 556 T HA 0.426 4.778 4.350 0.003 0.000 0.256 556 T C -0.030 174.574 174.700 -0.159 0.000 0.983 556 T CA -0.526 61.544 62.100 -0.051 0.000 0.924 556 T CB -0.152 68.689 68.868 -0.045 0.000 1.136 556 T HN 0.224 nan 8.240 nan 0.000 0.506 557 F N 1.014 120.934 119.950 -0.050 0.000 2.470 557 F HA 0.582 5.111 4.527 0.003 0.000 0.329 557 F C 1.221 177.012 175.800 -0.015 0.000 1.072 557 F CA -1.937 56.044 58.000 -0.031 0.000 0.989 557 F CB 1.562 40.544 39.000 -0.030 0.000 1.193 557 F HN -0.113 nan 8.300 nan 0.000 0.481 558 L N 4.215 125.536 121.223 0.165 0.000 2.011 558 L HA -0.195 4.146 4.340 0.003 0.000 0.225 558 L C -1.034 175.925 176.870 0.149 0.000 1.084 558 L CA 2.419 57.337 54.840 0.129 0.000 0.791 558 L CB -1.438 40.711 42.059 0.150 0.000 0.898 558 L HN 0.482 nan 8.230 nan 0.000 0.440 559 P HA -0.066 nan 4.420 nan 0.000 0.228 559 P C 0.973 178.348 177.300 0.125 0.000 1.151 559 P CA 1.050 64.253 63.100 0.171 0.000 0.770 559 P CB 0.076 31.837 31.700 0.102 0.000 0.786 560 S N 0.540 116.275 115.700 0.058 0.000 3.938 560 S HA -0.308 4.164 4.470 0.003 0.000 0.624 560 S C 1.545 176.072 174.600 -0.122 0.000 2.186 560 S CA 2.241 60.423 58.200 -0.030 0.000 4.144 560 S CB -1.578 61.597 63.200 -0.043 0.000 0.230 560 S HN 0.405 nan 8.310 nan 0.000 0.755 561 K N 0.490 120.732 120.400 -0.264 0.000 2.519 561 K HA -0.070 4.251 4.320 0.003 0.000 0.196 561 K C 1.299 177.670 176.600 -0.382 0.000 1.041 561 K CA 1.998 58.069 56.287 -0.360 0.000 0.954 561 K CB -0.382 31.847 32.500 -0.453 0.000 0.774 561 K HN 0.640 nan 8.250 nan 0.000 0.480 562 Y N 1.254 121.533 120.300 -0.036 0.000 2.457 562 Y HA 0.208 4.759 4.550 0.003 0.000 0.263 562 Y C 2.108 177.911 175.900 -0.161 0.000 1.164 562 Y CA -0.407 57.669 58.100 -0.041 0.000 1.274 562 Y CB 0.406 38.901 38.460 0.058 0.000 1.097 562 Y HN 0.051 nan 8.280 nan 0.000 0.523 563 S N 0.052 115.718 115.700 -0.056 0.000 2.359 563 S HA -0.191 4.281 4.470 0.003 0.000 0.222 563 S C 2.185 176.666 174.600 -0.199 0.000 1.038 563 S CA 1.973 60.089 58.200 -0.140 0.000 1.051 563 S CB -0.730 62.378 63.200 -0.153 0.000 0.944 563 S HN 0.270 nan 8.310 nan 0.000 0.433 564 V N 2.937 122.716 119.914 -0.225 0.000 2.427 564 V HA -0.193 3.929 4.120 0.003 0.000 0.248 564 V C 2.487 178.436 176.094 -0.242 0.000 1.051 564 V CA 1.995 64.133 62.300 -0.270 0.000 1.048 564 V CB -1.135 30.478 31.823 -0.350 0.000 0.666 564 V HN 0.695 nan 8.190 nan 0.000 0.456 565 E N 0.286 120.368 120.200 -0.196 0.000 2.204 565 E HA -0.230 4.122 4.350 0.003 0.000 0.195 565 E C 2.127 178.736 176.600 0.015 0.000 0.990 565 E CA 1.420 57.759 56.400 -0.100 0.000 0.821 565 E CB -0.453 29.239 29.700 -0.013 0.000 0.750 565 E HN 0.509 nan 8.360 nan 0.000 0.477 566 M N 1.740 121.229 119.600 -0.184 0.000 2.159 566 M HA -0.158 4.324 4.480 0.003 0.000 0.263 566 M C 2.565 178.809 176.300 -0.094 0.000 1.063 566 M CA 1.964 57.048 55.300 -0.359 0.000 1.110 566 M CB -0.359 31.859 32.600 -0.637 0.000 1.374 566 M HN 0.310 nan 8.290 nan 0.000 0.411 567 S N -1.014 114.662 115.700 -0.040 0.000 2.419 567 S HA -0.120 4.352 4.470 0.003 0.000 0.233 567 S C 1.911 176.696 174.600 0.308 0.000 1.016 567 S CA 1.504 59.769 58.200 0.108 0.000 0.974 567 S CB -0.472 62.837 63.200 0.183 0.000 0.786 567 S HN 0.463 nan 8.310 nan 0.000 0.492 568 S N 1.789 117.673 115.700 0.306 0.000 2.371 568 S HA 0.127 4.599 4.470 0.003 0.000 0.224 568 S C 2.134 176.985 174.600 0.418 0.000 1.029 568 S CA 0.977 59.455 58.200 0.464 0.000 0.978 568 S CB -0.858 62.540 63.200 0.331 0.000 0.833 568 S HN 0.774 nan 8.310 nan 0.000 0.466 569 A N 0.822 123.837 122.820 0.325 0.000 1.933 569 A HA 0.008 4.330 4.320 0.003 0.000 0.218 569 A C 2.294 180.030 177.584 0.254 0.000 1.175 569 A CA 1.746 53.954 52.037 0.284 0.000 0.628 569 A CB -0.945 18.244 19.000 0.315 0.000 0.814 569 A HN 0.464 nan 8.150 nan 0.000 0.444 570 V N -1.536 118.520 119.914 0.236 0.000 2.515 570 V HA -0.226 3.895 4.120 0.003 0.000 0.250 570 V C 2.312 178.584 176.094 0.298 0.000 1.058 570 V CA 1.799 64.240 62.300 0.234 0.000 1.064 570 V CB -0.973 30.948 31.823 0.164 0.000 0.675 570 V HN 0.724 nan 8.190 nan 0.000 0.461 571 Y N 1.503 121.920 120.300 0.195 0.000 2.333 571 Y HA -0.208 4.344 4.550 0.003 0.000 0.290 571 Y C 2.296 178.361 175.900 0.274 0.000 1.144 571 Y CA 1.356 59.578 58.100 0.202 0.000 1.228 571 Y CB -0.324 38.199 38.460 0.105 0.000 0.985 571 Y HN 0.220 nan 8.280 nan 0.000 0.542 572 K N -0.064 120.455 120.400 0.199 0.000 2.218 572 K HA -0.216 4.106 4.320 0.003 0.000 0.205 572 K C 0.881 177.535 176.600 0.090 0.000 1.046 572 K CA 1.855 58.209 56.287 0.111 0.000 0.933 572 K CB -0.287 32.302 32.500 0.148 0.000 0.728 572 K HN 0.469 nan 8.250 nan 0.000 0.454 573 N N -0.841 117.932 118.700 0.122 0.000 2.238 573 N HA 0.026 4.768 4.740 0.003 0.000 0.222 573 N C -0.900 174.646 175.510 0.060 0.000 1.133 573 N CA -0.481 52.624 53.050 0.093 0.000 0.854 573 N CB 0.325 38.869 38.487 0.095 0.000 1.041 573 N HN 0.182 nan 8.380 nan 0.000 0.510 574 W N 1.810 123.030 121.300 -0.133 0.000 2.253 574 W HA 0.350 5.012 4.660 0.004 0.000 0.322 574 W C -0.850 175.427 176.519 -0.403 0.000 1.342 574 W CA -0.184 57.059 57.345 -0.169 0.000 1.218 574 W CB 0.531 29.958 29.460 -0.056 0.000 1.205 574 W HN -0.332 nan 8.180 nan 0.000 0.551 575 V N 9.824 128.992 119.914 -1.243 0.000 2.443 575 V HA 0.073 4.195 4.120 0.003 0.000 0.293 575 V C 0.553 175.469 176.094 -1.964 0.000 1.021 575 V CA -0.838 60.280 62.300 -1.971 0.000 0.848 575 V CB 0.801 31.683 31.823 -1.569 0.000 0.998 575 V HN 0.726 nan 8.190 nan 0.000 0.424 576 F N 4.414 123.026 119.950 -2.230 0.000 2.091 576 F HA -0.245 4.284 4.527 0.004 0.000 0.299 576 F C 2.481 177.880 175.800 -0.668 0.000 1.103 576 F CA 2.810 60.040 58.000 -1.284 0.000 1.228 576 F CB -0.089 38.575 39.000 -0.560 0.000 0.984 576 F HN 0.623 nan 8.300 nan 0.000 0.477 577 T N -3.097 111.090 114.554 -0.612 0.000 3.035 577 T HA -0.101 4.251 4.350 0.003 0.000 0.268 577 T C 1.327 175.737 174.700 -0.483 0.000 1.109 577 T CA 1.150 62.986 62.100 -0.440 0.000 1.119 577 T CB -0.466 68.308 68.868 -0.156 0.000 0.900 577 T HN 0.195 nan 8.240 nan 0.000 0.503 578 D N 0.977 121.008 120.400 -0.615 0.000 2.340 578 D HA 0.049 4.690 4.640 0.003 0.000 0.220 578 D C 1.915 177.964 176.300 -0.417 0.000 1.039 578 D CA 0.250 53.960 54.000 -0.484 0.000 0.866 578 D CB 0.053 40.555 40.800 -0.497 0.000 0.913 578 D HN 0.355 nan 8.370 nan 0.000 0.523 579 Q N 0.166 119.687 119.800 -0.465 0.000 2.432 579 Q HA 0.161 4.503 4.340 0.003 0.000 0.205 579 Q C 0.640 176.530 176.000 -0.182 0.000 0.945 579 Q CA 0.041 55.700 55.803 -0.240 0.000 0.924 579 Q CB -0.038 28.590 28.738 -0.184 0.000 1.016 579 Q HN 0.134 nan 8.270 nan 0.000 0.503 580 A N 1.247 123.856 122.820 -0.352 0.000 2.477 580 A HA 0.084 4.405 4.320 0.003 0.000 0.246 580 A C 1.221 178.226 177.584 -0.965 0.000 1.078 580 A CA -0.236 51.446 52.037 -0.592 0.000 0.770 580 A CB 0.180 18.947 19.000 -0.388 0.000 1.011 580 A HN 0.267 nan 8.150 nan 0.000 0.494 581 L N 4.097 124.276 121.223 -1.740 0.000 2.012 581 L HA -0.052 4.290 4.340 0.003 0.000 0.210 581 L C -0.809 175.486 176.870 -0.958 0.000 1.073 581 L CA 2.545 56.608 54.840 -1.294 0.000 0.748 581 L CB -1.217 39.837 42.059 -1.676 0.000 0.891 581 L HN 0.530 nan 8.230 nan 0.000 0.431 582 P HA -0.131 nan 4.420 nan 0.000 0.216 582 P C 1.583 178.632 177.300 -0.418 0.000 1.153 582 P CA 1.991 64.717 63.100 -0.624 0.000 0.848 582 P CB -0.203 31.180 31.700 -0.528 0.000 0.787 583 A N -0.074 122.494 122.820 -0.420 0.000 1.908 583 A HA -0.267 4.055 4.320 0.003 0.000 0.218 583 A C 2.199 179.629 177.584 -0.257 0.000 1.181 583 A CA 2.325 54.185 52.037 -0.295 0.000 0.627 583 A CB -1.697 17.125 19.000 -0.297 0.000 0.818 583 A HN 0.196 nan 8.150 nan 0.000 0.445 584 D N -0.210 120.017 120.400 -0.288 0.000 2.097 584 D HA -0.127 4.515 4.640 0.003 0.000 0.195 584 D C 1.825 178.049 176.300 -0.126 0.000 0.989 584 D CA 1.397 55.286 54.000 -0.184 0.000 0.827 584 D CB -0.226 40.489 40.800 -0.141 0.000 0.966 584 D HN 0.426 nan 8.370 nan 0.000 0.456 585 L N -0.011 121.110 121.223 -0.170 0.000 2.046 585 L HA -0.114 4.228 4.340 0.003 0.000 0.208 585 L C 2.635 179.463 176.870 -0.070 0.000 1.077 585 L CA 0.789 55.564 54.840 -0.108 0.000 0.747 585 L CB -0.413 41.534 42.059 -0.186 0.000 0.896 585 L HN 0.170 nan 8.230 nan 0.000 0.432 586 I N -0.167 120.337 120.570 -0.110 0.000 2.252 586 I HA -0.294 3.878 4.170 0.003 0.000 0.245 586 I C 2.720 178.799 176.117 -0.063 0.000 1.102 586 I CA 1.269 62.521 61.300 -0.080 0.000 1.385 586 I CB -0.265 37.674 38.000 -0.101 0.000 1.064 586 I HN 0.231 nan 8.210 nan 0.000 0.414 587 K N 1.259 121.608 120.400 -0.084 0.000 2.097 587 K HA -0.150 4.172 4.320 0.003 0.000 0.206 587 K C 2.054 178.629 176.600 -0.040 0.000 1.049 587 K CA 1.378 57.621 56.287 -0.074 0.000 0.933 587 K CB 0.007 32.443 32.500 -0.107 0.000 0.717 587 K HN 0.221 nan 8.250 nan 0.000 0.442 588 R N -0.664 119.824 120.500 -0.019 0.000 2.313 588 R HA 0.027 4.369 4.340 0.003 0.000 0.199 588 R C 0.747 177.075 176.300 0.046 0.000 0.958 588 R CA 0.569 56.680 56.100 0.018 0.000 1.047 588 R CB 0.181 30.512 30.300 0.051 0.000 0.955 588 R HN 0.502 nan 8.270 nan 0.000 0.481 589 G N 1.170 109.989 108.800 0.031 0.000 2.198 589 G HA2 -0.270 3.692 3.960 0.003 0.000 0.260 589 G HA3 -0.270 3.692 3.960 0.003 0.000 0.260 589 G C 0.578 175.562 174.900 0.140 0.000 1.025 589 G CA 0.491 45.619 45.100 0.045 0.000 0.769 589 G HN 0.348 nan 8.290 nan 0.000 0.507 590 V N -4.313 115.702 119.914 0.168 0.000 3.483 590 V HA 0.827 4.949 4.120 0.003 0.000 0.301 590 V C 0.758 176.949 176.094 0.162 0.000 1.389 590 V CA 0.784 63.241 62.300 0.263 0.000 1.101 590 V CB 0.041 32.044 31.823 0.299 0.000 0.971 590 V HN 2.001 nan 8.190 nan 0.000 0.434 591 A N 1.114 123.981 122.820 0.078 0.000 2.608 591 A HA 0.868 5.190 4.320 0.003 0.000 0.292 591 A C -1.287 176.297 177.584 -0.000 0.000 1.066 591 A CA -0.380 51.671 52.037 0.023 0.000 0.676 591 A CB 1.736 20.714 19.000 -0.037 0.000 1.277 591 A HN 1.025 nan 8.150 nan 0.000 0.413 592 I N -1.743 118.822 120.570 -0.009 0.000 2.785 592 I HA 0.679 4.851 4.170 0.003 0.000 0.302 592 I C -0.231 175.869 176.117 -0.028 0.000 1.069 592 I CA -0.855 60.434 61.300 -0.017 0.000 1.045 592 I CB 1.855 39.852 38.000 -0.006 0.000 1.236 592 I HN 0.652 nan 8.210 nan 0.000 0.429 593 K N 2.214 122.594 120.400 -0.033 0.000 2.412 593 K HA 0.158 4.480 4.320 0.003 0.000 0.281 593 K C -1.013 175.574 176.600 -0.021 0.000 1.027 593 K CA 0.292 56.558 56.287 -0.034 0.000 0.989 593 K CB 0.331 32.811 32.500 -0.034 0.000 0.935 593 K HN 0.830 nan 8.250 nan 0.000 0.475 594 D N 5.811 126.199 120.400 -0.019 0.000 2.337 594 D HA 0.219 4.861 4.640 0.003 0.000 0.238 594 D C -2.231 174.062 176.300 -0.013 0.000 1.331 594 D CA -1.970 52.022 54.000 -0.013 0.000 0.967 594 D CB 1.665 42.459 40.800 -0.010 0.000 1.382 594 D HN 0.233 nan 8.370 nan 0.000 0.549 595 P HA -0.132 nan 4.420 nan 0.000 0.220 595 P C 1.172 178.463 177.300 -0.014 0.000 1.144 595 P CA 1.029 64.123 63.100 -0.011 0.000 0.800 595 P CB 0.238 31.933 31.700 -0.008 0.000 0.772 596 S N -2.545 113.147 115.700 -0.015 0.000 2.603 596 S HA 0.020 4.491 4.470 0.003 0.000 0.220 596 S C 0.853 175.437 174.600 -0.027 0.000 0.967 596 S CA 0.118 58.307 58.200 -0.018 0.000 0.920 596 S CB -1.335 61.857 63.200 -0.014 0.000 0.773 596 S HN 0.206 nan 8.310 nan 0.000 0.529 597 T N -1.369 113.168 114.554 -0.030 0.000 2.943 597 T HA 0.547 4.898 4.350 0.003 0.000 0.284 597 T C -2.095 172.556 174.700 -0.082 0.000 1.015 597 T CA -1.861 60.210 62.100 -0.048 0.000 1.042 597 T CB 1.135 69.985 68.868 -0.030 0.000 1.055 597 T HN -0.162 nan 8.240 nan 0.000 0.500 598 P HA -0.138 nan 4.420 nan 0.000 0.215 598 P C 1.096 178.233 177.300 -0.272 0.000 1.157 598 P CA 1.243 64.179 63.100 -0.273 0.000 0.874 598 P CB -0.008 31.417 31.700 -0.458 0.000 0.790 599 H N -2.486 116.580 119.070 -0.008 0.000 2.539 599 H HA 0.293 4.851 4.556 0.003 0.000 0.269 599 H C 1.583 176.895 175.328 -0.026 0.000 0.980 599 H CA 0.987 57.030 56.048 -0.008 0.000 1.152 599 H CB -0.224 29.517 29.762 -0.035 0.000 1.407 599 H HN 0.184 nan 8.280 nan 0.000 0.564 600 G N 0.973 109.800 108.800 0.044 0.000 2.184 600 G HA2 -0.287 3.675 3.960 0.003 0.000 0.264 600 G HA3 -0.287 3.675 3.960 0.003 0.000 0.264 600 G C 0.371 175.267 174.900 -0.007 0.000 0.975 600 G CA 0.591 45.699 45.100 0.013 0.000 0.642 600 G HN 0.504 nan 8.290 nan 0.000 0.536 601 V N -3.379 116.535 119.914 0.000 0.000 2.971 601 V HA 0.879 5.001 4.120 0.003 0.000 0.309 601 V C -0.318 175.769 176.094 -0.011 0.000 1.130 601 V CA -1.045 61.238 62.300 -0.029 0.000 0.964 601 V CB 1.955 33.729 31.823 -0.082 0.000 1.029 601 V HN 0.613 nan 8.190 nan 0.000 0.427 602 R N 3.287 123.779 120.500 -0.014 0.000 2.343 602 R HA 0.695 5.037 4.340 0.003 0.000 0.320 602 R C -1.095 175.206 176.300 0.001 0.000 0.956 602 R CA -0.757 55.343 56.100 -0.001 0.000 0.836 602 R CB 1.376 31.677 30.300 0.002 0.000 1.151 602 R HN 0.917 nan 8.270 nan 0.000 0.450 603 L N 5.978 127.203 121.223 0.004 0.000 2.416 603 L HA 0.120 4.462 4.340 0.003 0.000 0.272 603 L C 1.215 178.115 176.870 0.050 0.000 1.161 603 L CA -0.220 54.632 54.840 0.020 0.000 0.845 603 L CB 0.969 43.036 42.059 0.012 0.000 1.119 603 L HN 0.727 nan 8.230 nan 0.000 0.464 604 L N 3.991 125.269 121.223 0.092 0.000 2.492 604 L HA 0.146 4.488 4.340 0.003 0.000 0.223 604 L C 0.481 177.402 176.870 0.086 0.000 1.132 604 L CA 0.674 55.592 54.840 0.129 0.000 0.850 604 L CB 0.083 42.288 42.059 0.243 0.000 0.966 604 L HN 0.529 nan 8.230 nan 0.000 0.454 605 I N -0.051 120.526 120.570 0.012 0.000 2.464 605 I HA 0.042 4.214 4.170 0.003 0.000 0.277 605 I C 1.168 177.284 176.117 -0.001 0.000 1.040 605 I CA -0.092 61.148 61.300 -0.101 0.000 1.153 605 I CB 1.737 39.554 38.000 -0.305 0.000 1.274 605 I HN 0.036 nan 8.210 nan 0.000 0.469 606 E N 3.546 123.741 120.200 -0.009 0.000 2.070 606 E HA -0.268 4.084 4.350 0.003 0.000 0.197 606 E C 0.587 177.200 176.600 0.020 0.000 1.004 606 E CA 1.427 57.833 56.400 0.010 0.000 0.805 606 E CB 0.270 29.972 29.700 0.004 0.000 0.744 606 E HN 0.558 nan 8.360 nan 0.000 0.451 607 D N -0.300 120.104 120.400 0.007 0.000 2.781 607 D HA -0.018 4.624 4.640 0.003 0.000 0.254 607 D C -1.637 174.684 176.300 0.035 0.000 1.213 607 D CA -0.352 53.658 54.000 0.017 0.000 0.994 607 D CB -0.360 40.440 40.800 -0.000 0.000 1.019 607 D HN 0.121 nan 8.370 nan 0.000 0.514 608 Y N 2.400 122.635 120.300 -0.108 0.000 2.595 608 Y HA 0.376 4.927 4.550 0.002 0.000 0.336 608 Y C -1.924 173.896 175.900 -0.133 0.000 0.996 608 Y CA -3.028 54.992 58.100 -0.133 0.000 1.260 608 Y CB 1.211 39.595 38.460 -0.127 0.000 1.108 608 Y HN 0.129 nan 8.280 nan 0.000 0.509 609 P HA -0.277 nan 4.420 nan 0.000 0.214 609 P C 1.350 178.547 177.300 -0.172 0.000 1.163 609 P CA 1.871 64.876 63.100 -0.159 0.000 0.889 609 P CB -0.113 31.287 31.700 -0.500 0.000 0.790 610 Y N 0.624 120.762 120.300 -0.271 0.000 2.145 610 Y HA -0.191 4.361 4.550 0.003 0.000 0.286 610 Y C 2.315 178.134 175.900 -0.134 0.000 1.145 610 Y CA 1.755 59.820 58.100 -0.058 0.000 1.148 610 Y CB -1.146 37.359 38.460 0.074 0.000 0.981 610 Y HN -0.117 nan 8.280 nan 0.000 0.507 611 A N 0.646 123.005 122.820 -0.769 0.000 1.898 611 A HA -0.008 4.314 4.320 0.003 0.000 0.216 611 A C 2.438 179.715 177.584 -0.511 0.000 1.181 611 A CA 1.765 53.252 52.037 -0.917 0.000 0.620 611 A CB -1.484 16.750 19.000 -1.275 0.000 0.819 611 A HN 0.634 nan 8.150 nan 0.000 0.442 612 A N 0.170 122.809 122.820 -0.302 0.000 1.898 612 A HA -0.149 4.173 4.320 0.003 0.000 0.216 612 A C 1.731 179.254 177.584 -0.102 0.000 1.181 612 A CA 1.910 53.858 52.037 -0.150 0.000 0.620 612 A CB -0.558 18.416 19.000 -0.044 0.000 0.819 612 A HN 0.438 nan 8.150 nan 0.000 0.442 613 D N -0.327 120.052 120.400 -0.035 0.000 2.149 613 D HA -0.017 4.625 4.640 0.003 0.000 0.201 613 D C 2.057 178.367 176.300 0.018 0.000 0.972 613 D CA 1.306 55.341 54.000 0.058 0.000 0.835 613 D CB -0.718 40.214 40.800 0.220 0.000 0.966 613 D HN 0.415 nan 8.370 nan 0.000 0.476 614 G N 0.709 109.451 108.800 -0.097 0.000 2.422 614 G HA2 -0.202 3.760 3.960 0.003 0.000 0.218 614 G HA3 -0.202 3.760 3.960 0.003 0.000 0.218 614 G C 1.691 176.532 174.900 -0.099 0.000 1.146 614 G CA 0.266 45.356 45.100 -0.017 0.000 0.769 614 G HN 0.254 nan 8.290 nan 0.000 0.547 615 L N 0.196 121.233 121.223 -0.311 0.000 2.131 615 L HA -0.038 4.304 4.340 0.003 0.000 0.210 615 L C 2.904 179.551 176.870 -0.372 0.000 1.092 615 L CA 0.802 55.358 54.840 -0.475 0.000 0.759 615 L CB -0.211 41.408 42.059 -0.733 0.000 0.903 615 L HN 0.137 nan 8.230 nan 0.000 0.435 616 E N 0.168 120.262 120.200 -0.177 0.000 2.047 616 E HA -0.170 4.182 4.350 0.003 0.000 0.191 616 E C 2.282 178.945 176.600 0.105 0.000 0.987 616 E CA 1.109 57.514 56.400 0.009 0.000 0.799 616 E CB -0.112 29.623 29.700 0.058 0.000 0.752 616 E HN 0.383 nan 8.360 nan 0.000 0.449 617 I N 0.527 121.196 120.570 0.166 0.000 2.252 617 I HA -0.231 3.940 4.170 0.003 0.000 0.245 617 I C 2.416 178.732 176.117 0.332 0.000 1.102 617 I CA 0.860 62.325 61.300 0.275 0.000 1.385 617 I CB -1.243 36.980 38.000 0.372 0.000 1.064 617 I HN 0.311 nan 8.210 nan 0.000 0.414 618 W N 2.652 123.995 121.300 0.072 0.000 2.338 618 W HA -0.257 4.405 4.660 0.003 0.000 0.304 618 W C 2.488 178.984 176.519 -0.038 0.000 1.212 618 W CA 2.323 59.602 57.345 -0.109 0.000 1.264 618 W CB -0.147 28.987 29.460 -0.543 0.000 1.142 618 W HN 0.147 nan 8.180 nan 0.000 0.512 619 A N 1.068 123.959 122.820 0.118 0.000 1.902 619 A HA -0.081 4.241 4.320 0.003 0.000 0.217 619 A C 2.219 179.838 177.584 0.058 0.000 1.181 619 A CA 2.801 54.894 52.037 0.093 0.000 0.623 619 A CB -1.354 17.788 19.000 0.236 0.000 0.818 619 A HN 0.340 nan 8.150 nan 0.000 0.443 620 A N -0.095 122.810 122.820 0.141 0.000 1.902 620 A HA -0.077 4.245 4.320 0.003 0.000 0.217 620 A C 2.118 179.841 177.584 0.232 0.000 1.181 620 A CA 1.541 53.724 52.037 0.243 0.000 0.623 620 A CB -0.601 18.587 19.000 0.314 0.000 0.818 620 A HN 0.507 nan 8.150 nan 0.000 0.443 621 I N -0.668 119.979 120.570 0.129 0.000 2.252 621 I HA -0.246 3.926 4.170 0.003 0.000 0.245 621 I C 2.523 178.515 176.117 -0.208 0.000 1.102 621 I CA 1.773 63.029 61.300 -0.073 0.000 1.385 621 I CB -0.260 37.710 38.000 -0.051 0.000 1.064 621 I HN 0.365 nan 8.210 nan 0.000 0.414 622 K N 0.729 120.933 120.400 -0.326 0.000 2.032 622 K HA -0.191 4.131 4.320 0.003 0.000 0.209 622 K C 2.092 178.598 176.600 -0.156 0.000 1.048 622 K CA 2.048 58.130 56.287 -0.342 0.000 0.927 622 K CB -0.112 32.140 32.500 -0.412 0.000 0.712 622 K HN 0.208 nan 8.250 nan 0.000 0.441 623 T N 0.806 115.329 114.554 -0.052 0.000 2.720 623 T HA -0.208 4.144 4.350 0.003 0.000 0.268 623 T C 1.204 175.948 174.700 0.073 0.000 1.037 623 T CA 1.467 63.585 62.100 0.030 0.000 1.144 623 T CB -0.394 68.530 68.868 0.094 0.000 0.864 623 T HN 0.539 nan 8.240 nan 0.000 0.444 624 W N 1.675 122.863 121.300 -0.187 0.000 2.354 624 W HA -0.194 4.468 4.660 0.003 0.000 0.315 624 W C 1.760 178.199 176.519 -0.134 0.000 1.206 624 W CA 0.708 57.905 57.345 -0.247 0.000 1.290 624 W CB -0.518 28.451 29.460 -0.818 0.000 1.152 624 W HN 0.038 nan 8.180 nan 0.000 0.489 625 V N 1.706 121.355 119.914 -0.442 0.000 2.343 625 V HA -0.336 3.786 4.120 0.003 0.000 0.247 625 V C 2.442 178.386 176.094 -0.251 0.000 1.051 625 V CA 2.333 64.329 62.300 -0.507 0.000 1.036 625 V CB -1.128 30.470 31.823 -0.375 0.000 0.654 625 V HN 0.275 nan 8.190 nan 0.000 0.451 626 Q N -0.638 119.069 119.800 -0.155 0.000 2.291 626 Q HA -0.226 4.116 4.340 0.003 0.000 0.205 626 Q C 2.247 178.223 176.000 -0.040 0.000 0.970 626 Q CA 1.532 57.286 55.803 -0.081 0.000 0.876 626 Q CB -0.017 28.688 28.738 -0.055 0.000 0.935 626 Q HN 0.731 nan 8.270 nan 0.000 0.455 627 E N -0.738 119.451 120.200 -0.018 0.000 2.276 627 E HA -0.121 4.230 4.350 0.003 0.000 0.193 627 E C 1.361 177.976 176.600 0.025 0.000 0.983 627 E CA 0.079 56.502 56.400 0.038 0.000 0.861 627 E CB 0.154 29.937 29.700 0.138 0.000 0.817 627 E HN 0.331 nan 8.360 nan 0.000 0.485 628 Y N 0.550 120.713 120.300 -0.227 0.000 2.176 628 Y HA -0.153 4.398 4.550 0.003 0.000 0.291 628 Y C 2.055 177.942 175.900 -0.022 0.000 1.122 628 Y CA 1.385 59.347 58.100 -0.230 0.000 1.128 628 Y CB -0.337 37.704 38.460 -0.699 0.000 1.005 628 Y HN -0.144 nan 8.280 nan 0.000 0.509 629 V N 1.460 121.409 119.914 0.058 0.000 2.278 629 V HA -0.300 3.822 4.120 0.003 0.000 0.251 629 V C -0.509 175.645 176.094 0.100 0.000 1.062 629 V CA 2.625 64.986 62.300 0.102 0.000 1.038 629 V CB -1.878 29.954 31.823 0.016 0.000 0.646 629 V HN 0.321 nan 8.190 nan 0.000 0.447 630 P HA -0.127 nan 4.420 nan 0.000 0.219 630 P C 1.730 178.955 177.300 -0.125 0.000 1.146 630 P CA 1.242 64.327 63.100 -0.025 0.000 0.808 630 P CB -0.108 31.570 31.700 -0.038 0.000 0.779 631 L N -3.351 117.717 121.223 -0.260 0.000 2.362 631 L HA -0.122 4.220 4.340 0.003 0.000 0.219 631 L C 1.401 177.733 176.870 -0.897 0.000 1.134 631 L CA 1.404 55.893 54.840 -0.585 0.000 0.807 631 L CB -0.550 41.043 42.059 -0.777 0.000 0.927 631 L HN 0.087 nan 8.230 nan 0.000 0.447 632 Y N -3.237 116.934 120.300 -0.216 0.000 2.448 632 Y HA 0.210 4.762 4.550 0.003 0.000 0.257 632 Y C -0.331 175.259 175.900 -0.517 0.000 1.089 632 Y CA -0.756 57.134 58.100 -0.350 0.000 1.245 632 Y CB 0.573 38.788 38.460 -0.408 0.000 1.282 632 Y HN -0.106 nan 8.280 nan 0.000 0.529 633 Y N -0.735 119.560 120.300 -0.008 0.000 2.327 633 Y HA 0.599 5.151 4.550 0.003 0.000 0.325 633 Y C 0.645 176.524 175.900 -0.035 0.000 0.999 633 Y CA -1.145 56.950 58.100 -0.007 0.000 1.195 633 Y CB 1.525 39.993 38.460 0.014 0.000 1.132 633 Y HN -0.020 nan 8.280 nan 0.000 0.455 634 A N 3.735 126.594 122.820 0.063 0.000 1.975 634 A HA 0.217 4.539 4.320 0.003 0.000 0.215 634 A C 0.890 178.499 177.584 0.042 0.000 1.170 634 A CA 0.848 52.899 52.037 0.024 0.000 0.656 634 A CB 0.158 19.149 19.000 -0.014 0.000 0.821 634 A HN 0.732 nan 8.150 nan 0.000 0.449 635 R N -1.652 118.888 120.500 0.066 0.000 2.817 635 R HA 0.338 4.680 4.340 0.003 0.000 0.268 635 R C -0.650 175.694 176.300 0.073 0.000 1.027 635 R CA -0.615 55.517 56.100 0.053 0.000 0.928 635 R CB 0.593 30.915 30.300 0.036 0.000 1.228 635 R HN -0.015 nan 8.270 nan 0.000 0.469 636 D N 0.817 121.246 120.400 0.048 0.000 2.178 636 D HA -0.137 4.504 4.640 0.003 0.000 0.201 636 D C 0.648 176.985 176.300 0.062 0.000 0.980 636 D CA 1.598 55.624 54.000 0.043 0.000 0.842 636 D CB 0.019 40.834 40.800 0.026 0.000 0.948 636 D HN 0.458 nan 8.370 nan 0.000 0.472 637 D N 0.707 121.144 120.400 0.062 0.000 2.178 637 D HA -0.105 4.537 4.640 0.003 0.000 0.201 637 D C 1.448 177.807 176.300 0.098 0.000 0.980 637 D CA 0.716 54.756 54.000 0.067 0.000 0.842 637 D CB -0.120 40.709 40.800 0.049 0.000 0.948 637 D HN 0.171 nan 8.370 nan 0.000 0.472 638 D N -0.313 120.164 120.400 0.128 0.000 2.219 638 D HA -0.071 4.571 4.640 0.003 0.000 0.205 638 D C 2.023 178.530 176.300 0.344 0.000 0.970 638 D CA 0.388 54.501 54.000 0.189 0.000 0.851 638 D CB 0.216 41.123 40.800 0.178 0.000 0.943 638 D HN 0.150 nan 8.370 nan 0.000 0.488 639 V N 0.796 120.870 119.914 0.267 0.000 2.446 639 V HA -0.123 3.999 4.120 0.003 0.000 0.244 639 V C 2.429 178.609 176.094 0.143 0.000 1.039 639 V CA 0.973 63.368 62.300 0.159 0.000 1.045 639 V CB -0.269 31.523 31.823 -0.053 0.000 0.681 639 V HN 0.070 nan 8.190 nan 0.000 0.459 640 K N 0.716 121.183 120.400 0.112 0.000 2.147 640 K HA -0.160 4.162 4.320 0.003 0.000 0.205 640 K C 1.456 178.128 176.600 0.121 0.000 1.049 640 K CA 1.913 58.261 56.287 0.100 0.000 0.936 640 K CB -0.173 32.372 32.500 0.075 0.000 0.722 640 K HN 0.570 nan 8.250 nan 0.000 0.446 641 N N 0.694 119.473 118.700 0.130 0.000 2.322 641 N HA -0.050 4.692 4.740 0.003 0.000 0.194 641 N C -0.675 174.923 175.510 0.148 0.000 1.126 641 N CA -0.239 52.884 53.050 0.121 0.000 0.845 641 N CB 0.348 38.889 38.487 0.090 0.000 0.976 641 N HN 0.117 nan 8.380 nan 0.000 0.475 642 D N 0.582 121.107 120.400 0.207 0.000 2.365 642 D HA 0.045 4.687 4.640 0.003 0.000 0.237 642 D C 0.824 177.269 176.300 0.242 0.000 1.190 642 D CA 0.114 54.263 54.000 0.247 0.000 0.867 642 D CB 1.202 42.239 40.800 0.394 0.000 1.050 642 D HN -0.057 nan 8.370 nan 0.000 0.491 643 S N 3.547 119.365 115.700 0.195 0.000 2.368 643 S HA -0.166 4.306 4.470 0.003 0.000 0.225 643 S C 1.498 176.240 174.600 0.238 0.000 1.030 643 S CA 1.240 59.563 58.200 0.205 0.000 0.999 643 S CB 0.078 63.329 63.200 0.084 0.000 0.844 643 S HN 0.570 nan 8.310 nan 0.000 0.459 644 E N 0.047 120.366 120.200 0.198 0.000 2.047 644 E HA -0.119 4.233 4.350 0.003 0.000 0.191 644 E C 2.073 178.835 176.600 0.269 0.000 0.987 644 E CA 1.228 57.750 56.400 0.203 0.000 0.799 644 E CB -0.270 29.535 29.700 0.174 0.000 0.752 644 E HN 0.355 nan 8.360 nan 0.000 0.449 645 L N 1.316 122.700 121.223 0.268 0.000 2.042 645 L HA -0.236 4.106 4.340 0.003 0.000 0.210 645 L C 2.201 179.347 176.870 0.460 0.000 1.076 645 L CA 1.709 56.739 54.840 0.316 0.000 0.749 645 L CB -0.286 41.946 42.059 0.289 0.000 0.893 645 L HN 0.070 nan 8.230 nan 0.000 0.432 646 Q N -1.157 118.857 119.800 0.357 0.000 2.079 646 Q HA -0.202 4.140 4.340 0.003 0.000 0.200 646 Q C 2.265 178.385 176.000 0.199 0.000 0.974 646 Q CA 1.725 57.698 55.803 0.284 0.000 0.840 646 Q CB -0.506 28.360 28.738 0.214 0.000 0.898 646 Q HN 0.624 nan 8.270 nan 0.000 0.430 647 H N -1.186 117.933 119.070 0.081 0.000 2.389 647 H HA -0.118 4.440 4.556 0.003 0.000 0.299 647 H C 1.482 176.678 175.328 -0.220 0.000 1.081 647 H CA 1.357 57.316 56.048 -0.148 0.000 1.345 647 H CB -0.367 29.255 29.762 -0.233 0.000 1.393 647 H HN 0.369 nan 8.280 nan 0.000 0.520 648 W N 0.455 121.763 121.300 0.013 0.000 2.353 648 W HA -0.231 4.431 4.660 0.003 0.000 0.319 648 W C 2.354 178.971 176.519 0.164 0.000 1.207 648 W CA 1.462 58.887 57.345 0.133 0.000 1.291 648 W CB -0.833 28.752 29.460 0.209 0.000 1.159 648 W HN 0.313 nan 8.180 nan 0.000 0.478 649 W N 1.973 123.178 121.300 -0.159 0.000 2.358 649 W HA -0.235 4.427 4.660 0.003 0.000 0.303 649 W C 2.304 178.584 176.519 -0.398 0.000 1.208 649 W CA 1.961 59.001 57.345 -0.508 0.000 1.274 649 W CB -0.539 28.800 29.460 -0.201 0.000 1.138 649 W HN -0.035 nan 8.180 nan 0.000 0.515 650 K N 0.731 120.986 120.400 -0.242 0.000 2.103 650 K HA -0.275 4.046 4.320 0.003 0.000 0.207 650 K C 2.026 178.348 176.600 -0.464 0.000 1.048 650 K CA 1.986 58.048 56.287 -0.375 0.000 0.930 650 K CB -0.443 31.895 32.500 -0.271 0.000 0.716 650 K HN 0.146 nan 8.250 nan 0.000 0.444 651 E N -0.449 119.524 120.200 -0.379 0.000 2.076 651 E HA -0.121 4.231 4.350 0.003 0.000 0.190 651 E C 1.808 178.139 176.600 -0.447 0.000 0.979 651 E CA 0.732 56.945 56.400 -0.311 0.000 0.807 651 E CB -0.053 29.611 29.700 -0.059 0.000 0.761 651 E HN 0.422 nan 8.360 nan 0.000 0.454 652 A N 0.511 123.005 122.820 -0.544 0.000 1.908 652 A HA -0.165 4.157 4.320 0.003 0.000 0.218 652 A C 2.331 179.402 177.584 -0.855 0.000 1.181 652 A CA 1.631 53.275 52.037 -0.655 0.000 0.627 652 A CB -0.608 17.948 19.000 -0.740 0.000 0.818 652 A HN 0.212 nan 8.150 nan 0.000 0.445 653 V N -0.263 118.967 119.914 -1.140 0.000 2.273 653 V HA -0.176 3.946 4.120 0.003 0.000 0.242 653 V C 2.291 177.876 176.094 -0.848 0.000 1.035 653 V CA 1.989 63.487 62.300 -1.337 0.000 1.013 653 V CB -0.865 29.868 31.823 -1.818 0.000 0.652 653 V HN 0.617 nan 8.190 nan 0.000 0.452 654 E N -0.241 119.552 120.200 -0.677 0.000 2.274 654 E HA -0.123 4.228 4.350 0.003 0.000 0.194 654 E C 1.909 178.272 176.600 -0.394 0.000 0.996 654 E CA 0.670 56.795 56.400 -0.458 0.000 0.840 654 E CB 0.116 29.595 29.700 -0.370 0.000 0.772 654 E HN 0.439 nan 8.360 nan 0.000 0.491 655 K N -0.728 119.370 120.400 -0.503 0.000 2.312 655 K HA 0.117 4.439 4.320 0.003 0.000 0.206 655 K C 2.117 178.265 176.600 -0.755 0.000 1.121 655 K CA 0.805 56.736 56.287 -0.593 0.000 0.923 655 K CB -0.704 31.366 32.500 -0.716 0.000 1.162 655 K HN 0.100 nan 8.250 nan 0.000 0.478 656 G N 1.642 109.901 108.800 -0.902 0.000 2.446 656 G HA2 -0.209 3.753 3.960 0.003 0.000 0.217 656 G HA3 -0.209 3.753 3.960 0.003 0.000 0.217 656 G C 0.969 175.517 174.900 -0.586 0.000 1.168 656 G CA 0.871 45.535 45.100 -0.727 0.000 0.771 656 G HN 0.298 nan 8.290 nan 0.000 0.551 657 H N 0.240 119.076 119.070 -0.389 0.000 2.481 657 H HA 0.246 4.804 4.556 0.003 0.000 0.273 657 H C 2.128 177.417 175.328 -0.065 0.000 1.145 657 H CA 0.181 56.166 56.048 -0.106 0.000 0.964 657 H CB 0.418 30.238 29.762 0.097 0.000 1.722 657 H HN 0.325 nan 8.280 nan 0.000 0.573 658 G N 0.507 109.235 108.800 -0.120 0.000 2.485 658 G HA2 -0.246 3.716 3.960 0.003 0.000 0.221 658 G HA3 -0.246 3.716 3.960 0.003 0.000 0.221 658 G C 1.211 176.117 174.900 0.011 0.000 1.115 658 G CA 0.483 45.512 45.100 -0.118 0.000 0.751 658 G HN 0.328 nan 8.290 nan 0.000 0.567 659 D N 0.072 120.545 120.400 0.122 0.000 2.350 659 D HA 0.009 4.650 4.640 0.003 0.000 0.216 659 D C 1.905 178.316 176.300 0.185 0.000 0.968 659 D CA 0.475 54.578 54.000 0.172 0.000 0.894 659 D CB 0.177 41.139 40.800 0.271 0.000 0.909 659 D HN 0.354 nan 8.370 nan 0.000 0.520 660 L N 0.400 121.766 121.223 0.238 0.000 2.959 660 L HA 0.154 4.495 4.340 0.003 0.000 0.259 660 L C 1.915 178.927 176.870 0.236 0.000 1.185 660 L CA -0.153 54.838 54.840 0.251 0.000 0.998 660 L CB 0.305 42.615 42.059 0.418 0.000 1.337 660 L HN -0.071 nan 8.230 nan 0.000 0.555 661 K N -0.006 120.434 120.400 0.066 0.000 2.360 661 K HA -0.172 4.150 4.320 0.003 0.000 0.201 661 K C 1.048 177.607 176.600 -0.068 0.000 1.046 661 K CA 1.549 57.772 56.287 -0.107 0.000 0.945 661 K CB -0.190 32.186 32.500 -0.207 0.000 0.750 661 K HN 0.316 nan 8.250 nan 0.000 0.464 662 D N 0.796 121.175 120.400 -0.034 0.000 2.349 662 D HA -0.050 4.591 4.640 0.003 0.000 0.224 662 D C -0.153 176.086 176.300 -0.101 0.000 1.029 662 D CA 0.247 54.215 54.000 -0.054 0.000 0.879 662 D CB 0.069 40.853 40.800 -0.028 0.000 0.906 662 D HN -0.027 nan 8.370 nan 0.000 0.528 663 K N 1.447 121.727 120.400 -0.199 0.000 2.270 663 K HA 0.188 4.510 4.320 0.003 0.000 0.276 663 K C -1.623 174.673 176.600 -0.507 0.000 1.023 663 K CA -1.804 54.178 56.287 -0.509 0.000 0.955 663 K CB 1.033 32.808 32.500 -1.210 0.000 0.975 663 K HN -0.067 nan 8.250 nan 0.000 0.471 664 P HA -0.044 nan 4.420 nan 0.000 0.229 664 P C 0.789 178.043 177.300 -0.077 0.000 1.160 664 P CA 0.771 63.779 63.100 -0.154 0.000 0.777 664 P CB 0.042 31.720 31.700 -0.037 0.000 0.814 665 W N -2.564 118.732 121.300 -0.007 0.000 3.180 665 W HA 0.144 4.806 4.660 0.004 0.000 0.254 665 W C -0.432 176.100 176.519 0.022 0.000 1.318 665 W CA -0.941 56.377 57.345 -0.046 0.000 1.608 665 W CB -1.317 28.047 29.460 -0.159 0.000 1.124 665 W HN -0.136 nan 8.180 nan 0.000 0.694 666 W N 3.870 125.267 121.300 0.161 0.000 2.251 666 W HA 0.200 4.862 4.660 0.004 0.000 0.327 666 W C -1.753 174.971 176.519 0.341 0.000 1.361 666 W CA -1.402 56.130 57.345 0.311 0.000 1.234 666 W CB -0.181 29.305 29.460 0.042 0.000 1.212 666 W HN -0.376 nan 8.180 nan 0.000 0.557 667 P HA -0.026 nan 4.420 nan 0.000 0.269 667 P C 0.555 178.108 177.300 0.421 0.000 1.215 667 P CA -0.067 63.295 63.100 0.437 0.000 0.780 667 P CB 0.847 32.744 31.700 0.327 0.000 0.898 668 K N 1.547 122.081 120.400 0.224 0.000 2.243 668 K HA 0.074 4.396 4.320 0.003 0.000 0.201 668 K C 0.653 177.304 176.600 0.086 0.000 1.051 668 K CA 0.147 56.546 56.287 0.187 0.000 0.970 668 K CB -0.630 31.942 32.500 0.121 0.000 0.755 668 K HN 0.323 nan 8.250 nan 0.000 0.465 669 L N 1.660 122.843 121.223 -0.066 0.000 3.548 669 L HA -0.191 4.151 4.340 0.003 0.000 0.443 669 L C -0.176 176.676 176.870 -0.031 0.000 1.286 669 L CA 0.540 55.286 54.840 -0.157 0.000 0.863 669 L CB -0.847 41.005 42.059 -0.346 0.000 1.734 669 L HN 0.190 nan 8.230 nan 0.000 0.873 670 Q N -0.823 118.974 119.800 -0.005 0.000 2.149 670 Q HA 0.418 4.759 4.340 0.003 0.000 0.221 670 Q C 0.682 176.687 176.000 0.009 0.000 0.807 670 Q CA 0.856 56.672 55.803 0.021 0.000 1.000 670 Q CB 1.090 29.851 28.738 0.038 0.000 1.157 670 Q HN 0.754 nan 8.270 nan 0.000 0.487 671 T N -4.065 110.478 114.554 -0.018 0.000 2.864 671 T HA 0.531 4.883 4.350 0.003 0.000 0.299 671 T C 0.931 175.597 174.700 -0.056 0.000 1.166 671 T CA -0.710 61.378 62.100 -0.020 0.000 1.007 671 T CB 0.819 69.682 68.868 -0.009 0.000 1.219 671 T HN -0.056 nan 8.240 nan 0.000 0.506 672 L N 0.407 121.602 121.223 -0.046 0.000 2.083 672 L HA 0.013 4.355 4.340 0.003 0.000 0.209 672 L C 2.929 179.755 176.870 -0.073 0.000 1.083 672 L CA 1.591 56.389 54.840 -0.071 0.000 0.752 672 L CB -0.452 41.589 42.059 -0.029 0.000 0.899 672 L HN 0.893 nan 8.230 nan 0.000 0.433 673 E N 0.510 120.682 120.200 -0.045 0.000 2.051 673 E HA -0.262 4.090 4.350 0.003 0.000 0.192 673 E C 1.576 178.148 176.600 -0.047 0.000 0.991 673 E CA 1.783 58.161 56.400 -0.037 0.000 0.799 673 E CB 0.121 29.812 29.700 -0.016 0.000 0.748 673 E HN 0.428 nan 8.360 nan 0.000 0.449 674 D N 0.107 120.476 120.400 -0.053 0.000 2.144 674 D HA -0.138 4.504 4.640 0.003 0.000 0.200 674 D C 1.798 178.021 176.300 -0.129 0.000 0.978 674 D CA 0.485 54.443 54.000 -0.070 0.000 0.833 674 D CB -0.124 40.633 40.800 -0.071 0.000 0.961 674 D HN 0.141 nan 8.370 nan 0.000 0.470 675 L N 0.260 121.393 121.223 -0.151 0.000 2.046 675 L HA -0.112 4.230 4.340 0.003 0.000 0.208 675 L C 2.044 178.834 176.870 -0.134 0.000 1.077 675 L CA 1.360 56.093 54.840 -0.178 0.000 0.747 675 L CB -0.509 41.398 42.059 -0.252 0.000 0.896 675 L HN -0.071 nan 8.230 nan 0.000 0.432 676 V N 0.026 119.868 119.914 -0.120 0.000 2.295 676 V HA -0.315 3.807 4.120 0.003 0.000 0.246 676 V C 2.588 178.621 176.094 -0.103 0.000 1.049 676 V CA 2.002 64.232 62.300 -0.117 0.000 1.024 676 V CB -0.711 31.049 31.823 -0.105 0.000 0.648 676 V HN 0.647 nan 8.190 nan 0.000 0.447 677 E N 0.165 120.327 120.200 -0.064 0.000 2.038 677 E HA -0.220 4.132 4.350 0.003 0.000 0.195 677 E C 2.229 178.846 176.600 0.029 0.000 1.000 677 E CA 2.070 58.460 56.400 -0.017 0.000 0.803 677 E CB -0.147 29.567 29.700 0.024 0.000 0.750 677 E HN 0.361 nan 8.360 nan 0.000 0.448 678 V N 0.723 120.662 119.914 0.042 0.000 2.287 678 V HA -0.350 3.772 4.120 0.003 0.000 0.248 678 V C 2.618 178.813 176.094 0.169 0.000 1.053 678 V CA 1.857 64.252 62.300 0.158 0.000 1.027 678 V CB -0.484 31.217 31.823 -0.203 0.000 0.646 678 V HN 0.577 nan 8.190 nan 0.000 0.447 679 C N -0.666 118.664 119.300 0.050 0.000 2.446 679 C HA -0.097 4.365 4.460 0.003 0.000 0.277 679 C C 2.623 177.580 174.990 -0.054 0.000 1.275 679 C CA 0.900 59.925 59.018 0.011 0.000 1.727 679 C CB -1.044 26.646 27.740 -0.083 0.000 2.010 679 C HN 0.624 nan 8.230 nan 0.000 0.486 680 L N 1.179 122.328 121.223 -0.123 0.000 2.012 680 L HA -0.088 4.254 4.340 0.003 0.000 0.210 680 L C 2.179 178.979 176.870 -0.116 0.000 1.073 680 L CA 1.933 56.624 54.840 -0.247 0.000 0.748 680 L CB -0.714 41.093 42.059 -0.420 0.000 0.891 680 L HN 0.330 nan 8.230 nan 0.000 0.431 681 I N -0.937 119.640 120.570 0.012 0.000 2.252 681 I HA -0.305 3.867 4.170 0.003 0.000 0.245 681 I C 2.440 178.673 176.117 0.193 0.000 1.102 681 I CA 1.432 62.804 61.300 0.121 0.000 1.385 681 I CB -0.261 37.615 38.000 -0.207 0.000 1.064 681 I HN 0.244 nan 8.210 nan 0.000 0.414 682 I N 0.762 121.440 120.570 0.180 0.000 2.179 682 I HA -0.310 3.862 4.170 0.003 0.000 0.242 682 I C 2.464 178.665 176.117 0.140 0.000 1.088 682 I CA 1.708 63.124 61.300 0.192 0.000 1.357 682 I CB -0.223 37.883 38.000 0.177 0.000 1.051 682 I HN 0.157 nan 8.210 nan 0.000 0.409 683 I N -0.236 120.340 120.570 0.010 0.000 2.315 683 I HA -0.319 3.853 4.170 0.003 0.000 0.248 683 I C 2.459 178.575 176.117 -0.002 0.000 1.117 683 I CA 1.327 62.509 61.300 -0.197 0.000 1.404 683 I CB -0.462 37.313 38.000 -0.375 0.000 1.071 683 I HN 0.536 nan 8.210 nan 0.000 0.419 684 W N 2.240 123.532 121.300 -0.013 0.000 2.355 684 W HA -0.214 4.448 4.660 0.003 0.000 0.309 684 W C 2.252 178.872 176.519 0.169 0.000 1.206 684 W CA 1.568 58.989 57.345 0.127 0.000 1.284 684 W CB -0.275 29.366 29.460 0.303 0.000 1.145 684 W HN 0.051 nan 8.180 nan 0.000 0.502 685 I N 1.520 122.159 120.570 0.116 0.000 2.179 685 I HA -0.304 3.868 4.170 0.003 0.000 0.242 685 I C 2.759 178.878 176.117 0.002 0.000 1.088 685 I CA 1.786 63.109 61.300 0.038 0.000 1.357 685 I CB -1.004 37.139 38.000 0.238 0.000 1.051 685 I HN -0.028 nan 8.210 nan 0.000 0.409 686 A N 0.227 123.090 122.820 0.071 0.000 1.969 686 A HA -0.142 4.180 4.320 0.003 0.000 0.218 686 A C 2.330 179.963 177.584 0.082 0.000 1.169 686 A CA 1.970 54.059 52.037 0.086 0.000 0.635 686 A CB -0.427 18.688 19.000 0.193 0.000 0.810 686 A HN 0.548 nan 8.150 nan 0.000 0.445 687 S N -0.917 114.811 115.700 0.047 0.000 2.696 687 S HA 0.459 4.931 4.470 0.003 0.000 0.172 687 S C 2.172 176.765 174.600 -0.011 0.000 0.767 687 S CA 0.710 58.962 58.200 0.087 0.000 0.856 687 S CB -0.907 62.377 63.200 0.141 0.000 0.782 687 S HN 0.781 nan 8.310 nan 0.000 0.582 688 A N 1.427 124.134 122.820 -0.189 0.000 1.902 688 A HA 0.072 4.393 4.320 0.003 0.000 0.217 688 A C 2.300 179.587 177.584 -0.494 0.000 1.181 688 A CA 1.716 53.547 52.037 -0.343 0.000 0.623 688 A CB -1.137 17.586 19.000 -0.462 0.000 0.818 688 A HN 0.550 nan 8.150 nan 0.000 0.443 689 L N -0.644 120.061 121.223 -0.863 0.000 1.994 689 L HA -0.198 4.144 4.340 0.003 0.000 0.208 689 L C 2.451 179.227 176.870 -0.157 0.000 1.071 689 L CA 2.754 57.305 54.840 -0.482 0.000 0.745 689 L CB -0.836 40.940 42.059 -0.472 0.000 0.892 689 L HN 0.652 nan 8.230 nan 0.000 0.431 690 H N -0.506 118.448 119.070 -0.194 0.000 2.353 690 H HA -0.132 4.426 4.556 0.003 0.000 0.300 690 H C 1.883 177.169 175.328 -0.070 0.000 1.090 690 H CA 1.498 57.453 56.048 -0.155 0.000 1.327 690 H CB 0.246 29.919 29.762 -0.149 0.000 1.383 690 H HN 0.488 nan 8.280 nan 0.000 0.508 691 A N 1.266 124.084 122.820 -0.004 0.000 1.877 691 A HA -0.083 4.239 4.320 0.003 0.000 0.216 691 A C 2.713 180.348 177.584 0.084 0.000 1.186 691 A CA 1.783 53.939 52.037 0.198 0.000 0.620 691 A CB -1.091 18.081 19.000 0.286 0.000 0.822 691 A HN 0.573 nan 8.150 nan 0.000 0.443 692 A N -0.264 122.582 122.820 0.043 0.000 1.972 692 A HA 0.030 4.352 4.320 0.003 0.000 0.219 692 A C 2.118 179.724 177.584 0.036 0.000 1.169 692 A CA 2.015 54.108 52.037 0.094 0.000 0.635 692 A CB -0.885 18.276 19.000 0.268 0.000 0.810 692 A HN 1.207 nan 8.150 nan 0.000 0.446 693 V N -2.779 117.107 119.914 -0.047 0.000 3.650 693 V HA 0.139 4.261 4.120 0.003 0.000 0.271 693 V C 1.365 177.489 176.094 0.050 0.000 1.281 693 V CA 1.658 63.988 62.300 0.050 0.000 1.120 693 V CB -0.671 31.181 31.823 0.048 0.000 0.856 693 V HN 0.498 nan 8.190 nan 0.000 0.443 694 N N 0.191 118.718 118.700 -0.287 0.000 2.508 694 N HA 0.188 4.930 4.740 0.003 0.000 0.186 694 N C 1.160 176.443 175.510 -0.378 0.000 1.034 694 N CA 0.644 53.432 53.050 -0.437 0.000 0.885 694 N CB -0.073 37.725 38.487 -1.147 0.000 1.135 694 N HN 0.350 nan 8.380 nan 0.000 0.435 695 F N 0.163 120.094 119.950 -0.032 0.000 2.771 695 F HA 0.309 4.838 4.527 0.003 0.000 0.299 695 F C 1.952 177.823 175.800 0.119 0.000 1.177 695 F CA 0.509 58.508 58.000 -0.002 0.000 1.450 695 F CB -0.138 38.809 39.000 -0.088 0.000 1.114 695 F HN 0.161 nan 8.300 nan 0.000 0.587 696 G N -0.984 107.977 108.800 0.269 0.000 3.233 696 G HA2 0.023 3.985 3.960 0.003 0.000 0.234 696 G HA3 0.023 3.985 3.960 0.003 0.000 0.234 696 G C 1.354 176.461 174.900 0.346 0.000 1.137 696 G CA -0.139 45.241 45.100 0.467 0.000 0.763 696 G HN 0.261 nan 8.290 nan 0.000 0.549 697 E N -0.137 120.206 120.200 0.238 0.000 2.023 697 E HA -0.203 4.148 4.350 0.003 0.000 0.196 697 E C 1.728 178.442 176.600 0.190 0.000 1.003 697 E CA 1.091 57.614 56.400 0.206 0.000 0.809 697 E CB -0.138 29.692 29.700 0.217 0.000 0.755 697 E HN 0.539 nan 8.360 nan 0.000 0.449 698 Y N 0.880 121.244 120.300 0.106 0.000 2.286 698 Y HA -0.033 4.519 4.550 0.003 0.000 0.293 698 Y C -1.012 174.901 175.900 0.022 0.000 1.124 698 Y CA 0.806 58.947 58.100 0.068 0.000 1.178 698 Y CB -0.583 37.926 38.460 0.081 0.000 1.010 698 Y HN 0.042 nan 8.280 nan 0.000 0.536 699 P HA -0.193 nan 4.420 nan 0.000 0.216 699 P C 0.674 177.760 177.300 -0.357 0.000 1.150 699 P CA 2.014 65.015 63.100 -0.166 0.000 0.843 699 P CB -0.119 31.280 31.700 -0.501 0.000 0.787 700 Y N -2.076 118.157 120.300 -0.111 0.000 2.500 700 Y HA 0.285 4.837 4.550 0.003 0.000 0.284 700 Y C 2.521 178.309 175.900 -0.187 0.000 1.118 700 Y CA 1.043 59.070 58.100 -0.120 0.000 1.241 700 Y CB -0.935 37.507 38.460 -0.029 0.000 1.171 700 Y HN -0.121 nan 8.280 nan 0.000 0.540 701 G N -0.978 107.801 108.800 -0.034 0.000 3.042 701 G HA2 0.061 4.023 3.960 0.003 0.000 0.212 701 G HA3 0.061 4.023 3.960 0.003 0.000 0.212 701 G C 1.781 176.481 174.900 -0.333 0.000 1.166 701 G CA 0.533 45.548 45.100 -0.141 0.000 0.767 701 G HN 0.450 nan 8.290 nan 0.000 0.546 702 G N 0.173 108.615 108.800 -0.597 0.000 2.559 702 G HA2 0.085 4.047 3.960 0.003 0.000 0.216 702 G HA3 0.085 4.047 3.960 0.003 0.000 0.216 702 G C 0.464 175.004 174.900 -0.600 0.000 1.126 702 G CA 0.142 44.630 45.100 -1.020 0.000 0.778 702 G HN 0.380 nan 8.290 nan 0.000 0.543 703 L N 0.726 121.667 121.223 -0.470 0.000 2.277 703 L HA 0.513 4.855 4.340 0.003 0.000 0.284 703 L C 1.139 177.715 176.870 -0.489 0.000 1.028 703 L CA -0.800 53.768 54.840 -0.454 0.000 0.835 703 L CB 1.310 43.078 42.059 -0.485 0.000 1.215 703 L HN -0.033 nan 8.230 nan 0.000 0.425 704 I N 4.294 124.588 120.570 -0.461 0.000 2.423 704 I HA -0.226 3.946 4.170 0.003 0.000 0.254 704 I C 1.759 177.616 176.117 -0.434 0.000 1.151 704 I CA 1.676 62.744 61.300 -0.386 0.000 1.421 704 I CB 0.047 37.869 38.000 -0.296 0.000 1.079 704 I HN 0.817 nan 8.210 nan 0.000 0.431 705 M N -0.306 118.890 119.600 -0.672 0.000 2.296 705 M HA -0.133 4.349 4.480 0.003 0.000 0.265 705 M C 1.938 177.757 176.300 -0.802 0.000 1.064 705 M CA 1.423 56.255 55.300 -0.781 0.000 1.109 705 M CB -0.710 30.933 32.600 -1.594 0.000 1.396 705 M HN 0.244 nan 8.290 nan 0.000 0.430 706 N N 0.256 118.471 118.700 -0.808 0.000 2.300 706 N HA -0.021 4.721 4.740 0.003 0.000 0.179 706 N C -0.034 175.393 175.510 -0.139 0.000 1.016 706 N CA 0.832 53.658 53.050 -0.373 0.000 0.876 706 N CB 0.450 38.768 38.487 -0.282 0.000 0.979 706 N HN -0.014 nan 8.380 nan 0.000 0.432 707 R N 0.647 121.033 120.500 -0.190 0.000 2.681 707 R HA 0.329 4.671 4.340 0.003 0.000 0.277 707 R C -2.688 173.524 176.300 -0.146 0.000 1.563 707 R CA -1.686 54.347 56.100 -0.112 0.000 1.673 707 R CB 0.889 31.140 30.300 -0.082 0.000 1.258 707 R HN 0.274 nan 8.270 nan 0.000 0.650 708 P HA 0.011 nan 4.420 nan 0.000 0.268 708 P C 0.768 177.949 177.300 -0.198 0.000 1.205 708 P CA 0.266 63.248 63.100 -0.196 0.000 0.771 708 P CB 0.881 32.455 31.700 -0.211 0.000 0.858 709 T N -0.622 113.745 114.554 -0.311 0.000 3.044 709 T HA 0.462 4.813 4.350 0.003 0.000 0.250 709 T C 0.594 175.105 174.700 -0.315 0.000 1.081 709 T CA 0.138 61.933 62.100 -0.509 0.000 1.040 709 T CB 0.115 68.319 68.868 -1.107 0.000 0.962 709 T HN 0.626 nan 8.240 nan 0.000 0.506 710 A N 0.942 123.633 122.820 -0.216 0.000 2.612 710 A HA 0.733 5.055 4.320 0.003 0.000 0.293 710 A C -0.813 176.702 177.584 -0.114 0.000 1.075 710 A CA -0.780 51.185 52.037 -0.121 0.000 0.680 710 A CB 1.350 20.273 19.000 -0.128 0.000 1.279 710 A HN 0.591 nan 8.150 nan 0.000 0.411 711 S N -0.060 115.609 115.700 -0.052 0.000 2.536 711 S HA 0.715 5.187 4.470 0.003 0.000 0.287 711 S C -0.094 174.507 174.600 0.001 0.000 1.101 711 S CA -0.858 57.315 58.200 -0.045 0.000 0.950 711 S CB 1.945 65.180 63.200 0.058 0.000 1.056 711 S HN 0.714 nan 8.310 nan 0.000 0.481 712 R N 0.362 120.857 120.500 -0.008 0.000 2.446 712 R HA 0.279 4.620 4.340 0.003 0.000 0.254 712 R C 0.287 176.601 176.300 0.023 0.000 0.918 712 R CA -0.062 56.037 56.100 -0.001 0.000 1.069 712 R CB 0.471 30.755 30.300 -0.027 0.000 1.194 712 R HN 0.823 nan 8.270 nan 0.000 0.534 713 R N -0.288 120.251 120.500 0.066 0.000 2.710 713 R HA 0.377 4.719 4.340 0.003 0.000 0.270 713 R C -1.073 175.321 176.300 0.156 0.000 1.021 713 R CA -0.829 55.316 56.100 0.076 0.000 0.889 713 R CB 1.016 31.356 30.300 0.068 0.000 1.243 713 R HN -0.158 nan 8.270 nan 0.000 0.464 714 L N 1.138 122.395 121.223 0.056 0.000 2.567 714 L HA 0.434 4.776 4.340 0.003 0.000 0.238 714 L C 0.493 177.499 176.870 0.228 0.000 1.168 714 L CA -1.312 53.533 54.840 0.008 0.000 0.817 714 L CB 0.352 42.294 42.059 -0.194 0.000 1.409 714 L HN 0.416 nan 8.230 nan 0.000 0.502 715 L N 1.902 123.306 121.223 0.301 0.000 2.456 715 L HA 0.146 4.487 4.340 0.003 0.000 0.272 715 L C -1.813 175.181 176.870 0.206 0.000 1.189 715 L CA -1.427 53.578 54.840 0.276 0.000 0.846 715 L CB 0.063 42.269 42.059 0.246 0.000 1.111 715 L HN 0.403 nan 8.230 nan 0.000 0.475 716 P HA 0.147 nan 4.420 nan 0.000 0.276 716 P C -0.935 176.534 177.300 0.283 0.000 1.244 716 P CA -0.588 62.635 63.100 0.205 0.000 0.801 716 P CB 0.929 32.742 31.700 0.188 0.000 1.006 717 E N 1.315 121.648 120.200 0.222 0.000 2.331 717 E HA 0.163 4.515 4.350 0.003 0.000 0.272 717 E C 0.094 176.767 176.600 0.120 0.000 1.036 717 E CA -0.394 56.104 56.400 0.162 0.000 0.864 717 E CB 0.822 30.573 29.700 0.085 0.000 1.035 717 E HN 0.330 nan 8.360 nan 0.000 0.408 718 K N 0.016 120.338 120.400 -0.131 0.000 2.436 718 K HA 0.220 4.542 4.320 0.003 0.000 0.275 718 K C 0.931 177.364 176.600 -0.278 0.000 0.999 718 K CA 0.786 56.672 56.287 -0.669 0.000 0.980 718 K CB 0.288 32.414 32.500 -0.624 0.000 0.919 718 K HN 0.785 nan 8.250 nan 0.000 0.484 719 G N 1.080 109.734 108.800 -0.243 0.000 2.157 719 G HA2 -0.257 3.705 3.960 0.003 0.000 0.239 719 G HA3 -0.257 3.705 3.960 0.003 0.000 0.239 719 G C 0.126 175.027 174.900 0.002 0.000 0.982 719 G CA 0.347 45.397 45.100 -0.083 0.000 0.650 719 G HN 0.740 nan 8.290 nan 0.000 0.527 720 T N -2.704 111.885 114.554 0.059 0.000 2.942 720 T HA 0.769 5.121 4.350 0.003 0.000 0.289 720 T C -1.080 173.692 174.700 0.120 0.000 1.044 720 T CA -1.049 61.103 62.100 0.088 0.000 1.023 720 T CB 3.102 72.034 68.868 0.105 0.000 1.123 720 T HN -0.079 nan 8.240 nan 0.000 0.512 721 P HA -0.028 nan 4.420 nan 0.000 0.221 721 P C 0.844 178.207 177.300 0.105 0.000 1.150 721 P CA 0.997 64.150 63.100 0.089 0.000 0.800 721 P CB 0.219 31.957 31.700 0.063 0.000 0.787 722 E N -0.795 119.472 120.200 0.112 0.000 2.110 722 E HA -0.182 4.170 4.350 0.003 0.000 0.193 722 E C 2.065 178.738 176.600 0.121 0.000 0.988 722 E CA 1.013 57.475 56.400 0.104 0.000 0.804 722 E CB -1.212 28.549 29.700 0.103 0.000 0.745 722 E HN 0.305 nan 8.360 nan 0.000 0.458 723 Y N 1.634 121.970 120.300 0.059 0.000 2.200 723 Y HA -0.173 4.379 4.550 0.003 0.000 0.290 723 Y C 1.869 177.803 175.900 0.056 0.000 1.137 723 Y CA 1.390 59.527 58.100 0.062 0.000 1.163 723 Y CB 0.212 38.705 38.460 0.056 0.000 0.988 723 Y HN -0.055 nan 8.280 nan 0.000 0.518 724 E N 0.388 120.742 120.200 0.256 0.000 2.118 724 E HA -0.261 4.091 4.350 0.003 0.000 0.195 724 E C 2.054 178.707 176.600 0.088 0.000 0.992 724 E CA 1.435 57.938 56.400 0.172 0.000 0.804 724 E CB -0.396 29.380 29.700 0.127 0.000 0.741 724 E HN 0.695 nan 8.360 nan 0.000 0.458 725 E N 0.334 120.574 120.200 0.067 0.000 2.077 725 E HA -0.150 4.201 4.350 0.003 0.000 0.193 725 E C 2.071 178.684 176.600 0.022 0.000 0.989 725 E CA 0.893 57.319 56.400 0.042 0.000 0.800 725 E CB -0.023 29.704 29.700 0.045 0.000 0.746 725 E HN 0.198 nan 8.360 nan 0.000 0.452 726 M N 0.187 119.773 119.600 -0.023 0.000 2.202 726 M HA -0.170 4.312 4.480 0.003 0.000 0.262 726 M C 2.170 178.458 176.300 -0.020 0.000 1.063 726 M CA 1.227 56.498 55.300 -0.048 0.000 1.097 726 M CB -0.167 32.314 32.600 -0.198 0.000 1.382 726 M HN 0.240 nan 8.290 nan 0.000 0.413 727 I N -0.010 120.549 120.570 -0.019 0.000 2.277 727 I HA -0.241 3.931 4.170 0.003 0.000 0.243 727 I C 1.893 178.035 176.117 0.042 0.000 1.094 727 I CA 0.957 62.269 61.300 0.019 0.000 1.393 727 I CB -0.456 37.582 38.000 0.063 0.000 1.078 727 I HN 0.326 nan 8.210 nan 0.000 0.417 728 N N 0.411 119.139 118.700 0.046 0.000 2.395 728 N HA -0.047 4.695 4.740 0.003 0.000 0.175 728 N C 0.477 176.011 175.510 0.041 0.000 1.029 728 N CA 0.699 53.775 53.050 0.043 0.000 0.897 728 N CB -0.043 38.467 38.487 0.037 0.000 0.991 728 N HN 0.216 nan 8.380 nan 0.000 0.441 729 N N 0.619 119.341 118.700 0.037 0.000 2.716 729 N HA -0.009 4.733 4.740 0.003 0.000 0.245 729 N C 0.694 176.184 175.510 -0.034 0.000 1.495 729 N CA -0.179 52.864 53.050 -0.012 0.000 0.759 729 N CB 0.008 38.484 38.487 -0.018 0.000 1.261 729 N HN 0.222 nan 8.380 nan 0.000 0.515 730 H N 0.354 119.381 119.070 -0.071 0.000 2.421 730 H HA 0.023 4.581 4.556 0.003 0.000 0.298 730 H C 0.452 175.718 175.328 -0.102 0.000 1.087 730 H CA 1.204 57.214 56.048 -0.064 0.000 1.330 730 H CB 0.330 30.054 29.762 -0.063 0.000 1.388 730 H HN 0.445 nan 8.280 nan 0.000 0.526 731 E N 0.669 120.323 120.200 -0.910 0.000 2.106 731 E HA -0.135 4.217 4.350 0.003 0.000 0.192 731 E C 2.231 178.670 176.600 -0.269 0.000 0.984 731 E CA 1.001 56.839 56.400 -0.937 0.000 0.806 731 E CB 0.111 29.030 29.700 -1.301 0.000 0.750 731 E HN 0.253 nan 8.360 nan 0.000 0.458 732 K N 1.337 121.642 120.400 -0.159 0.000 2.097 732 K HA -0.050 4.271 4.320 0.003 0.000 0.205 732 K C 1.825 178.455 176.600 0.050 0.000 1.050 732 K CA 1.290 57.577 56.287 -0.001 0.000 0.938 732 K CB -0.364 32.149 32.500 0.022 0.000 0.718 732 K HN 0.077 nan 8.250 nan 0.000 0.442 733 A N -0.347 122.500 122.820 0.045 0.000 1.908 733 A HA -0.187 4.135 4.320 0.003 0.000 0.218 733 A C 2.247 179.894 177.584 0.105 0.000 1.181 733 A CA 1.687 53.767 52.037 0.071 0.000 0.627 733 A CB -1.010 18.034 19.000 0.073 0.000 0.818 733 A HN 0.518 nan 8.150 nan 0.000 0.445 734 Y N 0.284 120.609 120.300 0.041 0.000 2.163 734 Y HA -0.119 4.433 4.550 0.003 0.000 0.288 734 Y C 2.031 177.977 175.900 0.076 0.000 1.136 734 Y CA 1.923 60.079 58.100 0.092 0.000 1.147 734 Y CB -0.213 38.414 38.460 0.278 0.000 0.987 734 Y HN 0.212 nan 8.280 nan 0.000 0.509 735 L N -0.262 121.135 121.223 0.290 0.000 2.141 735 L HA -0.180 4.162 4.340 0.003 0.000 0.209 735 L C 2.426 179.325 176.870 0.047 0.000 1.094 735 L CA 1.313 56.263 54.840 0.184 0.000 0.763 735 L CB -0.417 41.779 42.059 0.229 0.000 0.908 735 L HN 0.077 nan 8.230 nan 0.000 0.437 736 R N -0.218 120.300 120.500 0.029 0.000 2.189 736 R HA -0.072 4.270 4.340 0.003 0.000 0.218 736 R C 1.982 178.257 176.300 -0.041 0.000 1.074 736 R CA 1.454 57.553 56.100 -0.001 0.000 0.991 736 R CB -0.561 29.752 30.300 0.021 0.000 0.883 736 R HN 0.178 nan 8.270 nan 0.000 0.457 737 T N 1.021 115.518 114.554 -0.095 0.000 2.894 737 T HA 0.149 4.501 4.350 0.003 0.000 0.258 737 T C 1.076 175.642 174.700 -0.223 0.000 1.043 737 T CA 0.987 62.989 62.100 -0.162 0.000 1.141 737 T CB -0.211 68.494 68.868 -0.271 0.000 0.873 737 T HN 0.368 nan 8.240 nan 0.000 0.449 738 I N 0.057 120.456 120.570 -0.284 0.000 3.468 738 I HA 0.378 4.550 4.170 0.003 0.000 0.299 738 I C 0.018 176.042 176.117 -0.156 0.000 1.141 738 I CA -1.084 60.056 61.300 -0.265 0.000 0.950 738 I CB -0.040 37.752 38.000 -0.347 0.000 1.522 738 I HN -0.179 nan 8.210 nan 0.000 0.699 739 T N 2.223 116.681 114.554 -0.161 0.000 2.830 739 T HA -0.065 4.287 4.350 0.003 0.000 0.282 739 T C 0.351 174.995 174.700 -0.094 0.000 1.024 739 T CA 0.252 62.266 62.100 -0.143 0.000 1.144 739 T CB -0.152 68.607 68.868 -0.182 0.000 1.035 739 T HN 0.660 nan 8.240 nan 0.000 0.507 740 S N 1.166 116.790 115.700 -0.126 0.000 2.589 740 S HA 0.105 4.577 4.470 0.003 0.000 0.265 740 S C 1.677 176.132 174.600 -0.241 0.000 1.342 740 S CA -0.651 57.453 58.200 -0.160 0.000 1.005 740 S CB 0.608 63.699 63.200 -0.182 0.000 0.909 740 S HN 0.835 nan 8.310 nan 0.000 0.555 741 K N 1.087 121.219 120.400 -0.447 0.000 2.032 741 K HA -0.161 4.161 4.320 0.003 0.000 0.209 741 K C 1.963 178.266 176.600 -0.495 0.000 1.048 741 K CA 1.712 57.547 56.287 -0.753 0.000 0.927 741 K CB -0.371 31.483 32.500 -1.076 0.000 0.712 741 K HN 0.551 nan 8.250 nan 0.000 0.441 742 L N 1.779 122.611 121.223 -0.652 0.000 1.976 742 L HA -0.078 4.264 4.340 0.003 0.000 0.209 742 L C -1.269 175.333 176.870 -0.448 0.000 1.071 742 L CA 1.751 56.060 54.840 -0.885 0.000 0.746 742 L CB -1.104 40.205 42.059 -1.250 0.000 0.890 742 L HN 0.156 nan 8.230 nan 0.000 0.432 743 P HA -0.106 nan 4.420 nan 0.000 0.220 743 P C 1.463 178.665 177.300 -0.163 0.000 1.148 743 P CA 1.500 64.479 63.100 -0.201 0.000 0.803 743 P CB -0.231 31.359 31.700 -0.182 0.000 0.782 744 T N 0.815 115.266 114.554 -0.172 0.000 2.708 744 T HA -0.068 4.284 4.350 0.003 0.000 0.266 744 T C 1.943 176.585 174.700 -0.096 0.000 1.037 744 T CA 1.091 63.127 62.100 -0.108 0.000 1.146 744 T CB -0.800 68.082 68.868 0.023 0.000 0.865 744 T HN 0.069 nan 8.240 nan 0.000 0.435 745 L N 0.220 121.357 121.223 -0.142 0.000 2.079 745 L HA -0.081 4.261 4.340 0.003 0.000 0.210 745 L C 2.376 179.314 176.870 0.112 0.000 1.081 745 L CA 1.233 56.011 54.840 -0.104 0.000 0.752 745 L CB -0.620 41.151 42.059 -0.479 0.000 0.896 745 L HN 0.284 nan 8.230 nan 0.000 0.433 746 I N -0.545 120.071 120.570 0.076 0.000 2.233 746 I HA -0.251 3.921 4.170 0.003 0.000 0.243 746 I C 2.806 179.031 176.117 0.180 0.000 1.093 746 I CA 1.453 62.887 61.300 0.223 0.000 1.380 746 I CB -0.346 37.737 38.000 0.139 0.000 1.067 746 I HN 0.311 nan 8.210 nan 0.000 0.413 747 S N 1.348 117.094 115.700 0.077 0.000 2.383 747 S HA -0.116 4.356 4.470 0.003 0.000 0.227 747 S C 2.028 176.703 174.600 0.126 0.000 1.026 747 S CA 0.897 59.137 58.200 0.068 0.000 0.981 747 S CB -0.886 62.276 63.200 -0.063 0.000 0.818 747 S HN 0.395 nan 8.310 nan 0.000 0.472 748 L N 1.362 122.657 121.223 0.121 0.000 2.083 748 L HA -0.067 4.275 4.340 0.003 0.000 0.209 748 L C 2.932 180.063 176.870 0.435 0.000 1.083 748 L CA 1.333 56.298 54.840 0.207 0.000 0.752 748 L CB -0.774 41.255 42.059 -0.050 0.000 0.899 748 L HN 0.358 nan 8.230 nan 0.000 0.433 749 S N -0.597 115.393 115.700 0.483 0.000 2.356 749 S HA -0.181 4.291 4.470 0.003 0.000 0.223 749 S C 1.950 176.685 174.600 0.225 0.000 1.032 749 S CA 1.307 59.759 58.200 0.419 0.000 1.005 749 S CB -0.310 63.190 63.200 0.500 0.000 0.867 749 S HN 0.269 nan 8.310 nan 0.000 0.449 750 V N 3.410 123.447 119.914 0.205 0.000 2.358 750 V HA -0.112 4.010 4.120 0.003 0.000 0.246 750 V C 1.998 178.178 176.094 0.143 0.000 1.047 750 V CA 1.780 64.164 62.300 0.139 0.000 1.035 750 V CB -0.525 31.367 31.823 0.115 0.000 0.658 750 V HN 0.666 nan 8.190 nan 0.000 0.452 751 I N -2.040 118.648 120.570 0.197 0.000 2.676 751 I HA -0.118 4.053 4.170 0.003 0.000 0.259 751 I C 2.258 178.521 176.117 0.244 0.000 1.194 751 I CA 1.961 63.394 61.300 0.221 0.000 1.473 751 I CB -0.682 37.463 38.000 0.243 0.000 1.096 751 I HN 0.397 nan 8.210 nan 0.000 0.443 752 E N 2.002 122.329 120.200 0.213 0.000 2.072 752 E HA -0.179 4.173 4.350 0.003 0.000 0.191 752 E C 2.280 178.865 176.600 -0.025 0.000 0.985 752 E CA 1.471 57.841 56.400 -0.051 0.000 0.801 752 E CB -0.055 29.482 29.700 -0.271 0.000 0.750 752 E HN 0.643 nan 8.360 nan 0.000 0.452 753 I N 1.087 121.664 120.570 0.012 0.000 2.179 753 I HA -0.311 3.861 4.170 0.003 0.000 0.242 753 I C 2.348 178.503 176.117 0.063 0.000 1.088 753 I CA 1.013 62.324 61.300 0.018 0.000 1.357 753 I CB -0.248 37.767 38.000 0.025 0.000 1.051 753 I HN 0.194 nan 8.210 nan 0.000 0.409 754 L N -0.241 121.032 121.223 0.083 0.000 2.265 754 L HA -0.131 4.211 4.340 0.003 0.000 0.215 754 L C 2.097 178.983 176.870 0.027 0.000 1.117 754 L CA 0.884 55.773 54.840 0.082 0.000 0.782 754 L CB -0.574 41.546 42.059 0.101 0.000 0.914 754 L HN 0.161 nan 8.230 nan 0.000 0.441 755 S N -1.481 114.271 115.700 0.088 0.000 2.575 755 S HA 0.045 4.516 4.470 0.003 0.000 0.215 755 S C 0.749 175.488 174.600 0.233 0.000 0.966 755 S CA 0.040 58.333 58.200 0.156 0.000 0.911 755 S CB 0.042 63.372 63.200 0.217 0.000 0.780 755 S HN 0.306 nan 8.310 nan 0.000 0.514 756 T N 2.693 117.344 114.554 0.162 0.000 2.837 756 T HA 0.270 4.621 4.350 0.003 0.000 0.285 756 T C -0.487 174.304 174.700 0.152 0.000 0.984 756 T CA -0.365 61.803 62.100 0.113 0.000 1.049 756 T CB 0.562 69.467 68.868 0.062 0.000 0.947 756 T HN 0.182 nan 8.240 nan 0.000 0.472 757 H N 1.665 120.840 119.070 0.175 0.000 2.604 757 H HA 0.497 5.055 4.556 0.003 0.000 0.306 757 H C 0.408 175.784 175.328 0.080 0.000 1.075 757 H CA -0.565 55.544 56.048 0.101 0.000 1.357 757 H CB 0.842 30.631 29.762 0.045 0.000 1.426 757 H HN 0.797 nan 8.280 nan 0.000 0.470 758 A N 2.427 125.361 122.820 0.190 0.000 2.425 758 A HA 0.090 4.412 4.320 0.003 0.000 0.242 758 A C 1.478 179.125 177.584 0.105 0.000 1.077 758 A CA 0.214 52.309 52.037 0.096 0.000 0.781 758 A CB 0.206 19.236 19.000 0.050 0.000 1.020 758 A HN 0.837 nan 8.150 nan 0.000 0.494 759 S N 0.066 115.815 115.700 0.081 0.000 2.515 759 S HA -0.106 4.366 4.470 0.003 0.000 0.231 759 S C 0.598 175.250 174.600 0.086 0.000 0.987 759 S CA 1.156 59.408 58.200 0.087 0.000 0.936 759 S CB -0.303 62.936 63.200 0.065 0.000 0.766 759 S HN 0.796 nan 8.310 nan 0.000 0.528 760 D N 0.264 120.716 120.400 0.087 0.000 2.388 760 D HA 0.226 4.868 4.640 0.003 0.000 0.221 760 D C 0.240 176.566 176.300 0.043 0.000 1.133 760 D CA -0.451 53.599 54.000 0.084 0.000 0.831 760 D CB -0.333 40.541 40.800 0.124 0.000 0.962 760 D HN 0.389 nan 8.370 nan 0.000 0.502 761 E N 0.188 120.383 120.200 -0.009 0.000 2.418 761 E HA 0.207 4.559 4.350 0.003 0.000 0.261 761 E C -0.870 175.585 176.600 -0.243 0.000 1.070 761 E CA -0.334 55.955 56.400 -0.186 0.000 0.931 761 E CB 1.024 30.462 29.700 -0.437 0.000 0.954 761 E HN -0.048 nan 8.360 nan 0.000 0.439 762 V N 5.338 125.078 119.914 -0.289 0.000 2.378 762 V HA 0.268 4.390 4.120 0.003 0.000 0.288 762 V C -0.796 175.133 176.094 -0.274 0.000 1.016 762 V CA -0.627 61.568 62.300 -0.175 0.000 0.840 762 V CB 0.241 32.002 31.823 -0.104 0.000 0.994 762 V HN 0.599 nan 8.190 nan 0.000 0.431 763 Y N 3.038 123.298 120.300 -0.066 0.000 2.374 763 Y HA 0.497 5.049 4.550 0.003 0.000 0.322 763 Y C 0.342 176.215 175.900 -0.045 0.000 1.275 763 Y CA -0.883 57.171 58.100 -0.076 0.000 1.307 763 Y CB 0.914 39.293 38.460 -0.135 0.000 1.282 763 Y HN 0.479 nan 8.280 nan 0.000 0.509 764 L N 1.977 123.293 121.223 0.154 0.000 2.559 764 L HA 0.247 4.589 4.340 0.003 0.000 0.274 764 L C 1.022 177.838 176.870 -0.090 0.000 1.205 764 L CA 1.633 56.541 54.840 0.114 0.000 0.907 764 L CB -0.315 41.822 42.059 0.129 0.000 1.153 764 L HN 0.887 nan 8.230 nan 0.000 0.490 765 G N 2.566 111.285 108.800 -0.134 0.000 2.176 765 G HA2 -0.200 3.762 3.960 0.003 0.000 0.232 765 G HA3 -0.200 3.762 3.960 0.003 0.000 0.232 765 G C 0.190 174.985 174.900 -0.175 0.000 0.986 765 G CA 0.225 45.010 45.100 -0.525 0.000 0.643 765 G HN 0.636 nan 8.290 nan 0.000 0.522 766 Q N -0.452 119.442 119.800 0.156 0.000 2.399 766 Q HA 0.820 5.162 4.340 0.003 0.000 0.276 766 Q C -0.155 175.934 176.000 0.148 0.000 1.098 766 Q CA -0.960 54.964 55.803 0.203 0.000 0.827 766 Q CB 1.907 30.699 28.738 0.090 0.000 1.386 766 Q HN 0.262 nan 8.270 nan 0.000 0.443 767 R N 0.644 121.159 120.500 0.025 0.000 2.771 767 R HA 0.132 4.474 4.340 0.003 0.000 0.274 767 R C -0.337 175.918 176.300 -0.075 0.000 0.987 767 R CA -0.468 55.507 56.100 -0.209 0.000 0.908 767 R CB 1.374 31.344 30.300 -0.549 0.000 1.213 767 R HN 0.804 nan 8.270 nan 0.000 0.468 768 D N -0.542 119.811 120.400 -0.079 0.000 2.312 768 D HA -0.102 4.539 4.640 0.003 0.000 0.211 768 D C 0.094 176.417 176.300 0.038 0.000 0.964 768 D CA 0.929 54.927 54.000 -0.004 0.000 0.877 768 D CB 0.259 41.066 40.800 0.012 0.000 0.924 768 D HN 0.215 nan 8.370 nan 0.000 0.515 769 N N -0.395 118.341 118.700 0.059 0.000 2.397 769 N HA 0.151 4.893 4.740 0.003 0.000 0.291 769 N C -2.337 173.271 175.510 0.163 0.000 1.065 769 N CA -1.541 51.571 53.050 0.105 0.000 0.884 769 N CB 2.459 41.032 38.487 0.143 0.000 1.551 769 N HN -0.231 nan 8.380 nan 0.000 0.487 770 P HA -0.009 nan 4.420 nan 0.000 0.234 770 P C -0.088 177.048 177.300 -0.274 0.000 1.167 770 P CA 0.924 63.964 63.100 -0.099 0.000 0.763 770 P CB 0.205 31.733 31.700 -0.287 0.000 0.835 771 H N -1.067 118.052 119.070 0.082 0.000 2.475 771 H HA 0.092 4.650 4.556 0.003 0.000 0.276 771 H C 1.503 176.792 175.328 -0.065 0.000 1.126 771 H CA -0.500 55.511 56.048 -0.060 0.000 1.023 771 H CB -0.543 29.192 29.762 -0.045 0.000 1.669 771 H HN 0.379 nan 8.280 nan 0.000 0.573 772 W N 0.908 122.226 121.300 0.030 0.000 2.387 772 W HA -0.033 4.629 4.660 0.003 0.000 0.272 772 W C -0.195 176.331 176.519 0.012 0.000 1.224 772 W CA 0.821 58.171 57.345 0.008 0.000 1.210 772 W CB -0.546 28.885 29.460 -0.048 0.000 1.125 772 W HN 0.071 nan 8.180 nan 0.000 0.572 773 T N -0.077 114.182 114.554 -0.492 0.000 2.894 773 T HA 0.286 4.637 4.350 0.003 0.000 0.309 773 T C 0.775 175.260 174.700 -0.358 0.000 1.208 773 T CA 0.129 61.982 62.100 -0.413 0.000 1.016 773 T CB 1.566 70.104 68.868 -0.550 0.000 1.192 773 T HN -0.024 nan 8.240 nan 0.000 0.491 774 S N 1.461 117.031 115.700 -0.217 0.000 2.524 774 S HA 0.164 4.636 4.470 0.003 0.000 0.216 774 S C 0.085 174.625 174.600 -0.100 0.000 0.987 774 S CA -0.133 57.988 58.200 -0.132 0.000 0.909 774 S CB -0.178 62.998 63.200 -0.039 0.000 0.781 774 S HN 0.697 nan 8.310 nan 0.000 0.521 775 D N 3.407 123.733 120.400 -0.124 0.000 2.342 775 D HA 0.209 4.851 4.640 0.003 0.000 0.260 775 D C 1.290 177.536 176.300 -0.091 0.000 1.278 775 D CA 0.235 54.183 54.000 -0.086 0.000 0.910 775 D CB 1.259 42.039 40.800 -0.033 0.000 1.079 775 D HN 0.394 nan 8.370 nan 0.000 0.496 776 S N 2.901 118.565 115.700 -0.059 0.000 2.400 776 S HA -0.243 4.229 4.470 0.003 0.000 0.232 776 S C 1.492 176.098 174.600 0.009 0.000 1.025 776 S CA 0.829 59.013 58.200 -0.028 0.000 0.993 776 S CB -0.030 63.160 63.200 -0.017 0.000 0.808 776 S HN 0.377 nan 8.310 nan 0.000 0.478 777 K N 1.573 121.971 120.400 -0.004 0.000 2.097 777 K HA 0.132 4.454 4.320 0.003 0.000 0.205 777 K C 2.595 179.268 176.600 0.122 0.000 1.050 777 K CA 1.095 57.398 56.287 0.027 0.000 0.938 777 K CB -0.512 31.962 32.500 -0.043 0.000 0.718 777 K HN 0.497 nan 8.250 nan 0.000 0.442 778 A N 1.534 124.432 122.820 0.130 0.000 1.898 778 A HA -0.101 4.221 4.320 0.003 0.000 0.216 778 A C 2.118 179.985 177.584 0.471 0.000 1.181 778 A CA 1.136 53.392 52.037 0.367 0.000 0.620 778 A CB -0.579 18.637 19.000 0.359 0.000 0.819 778 A HN 0.138 nan 8.150 nan 0.000 0.442 779 L N -0.804 120.530 121.223 0.185 0.000 2.093 779 L HA -0.198 4.143 4.340 0.003 0.000 0.208 779 L C 2.839 179.894 176.870 0.309 0.000 1.085 779 L CA 0.979 55.951 54.840 0.219 0.000 0.755 779 L CB -0.477 41.586 42.059 0.007 0.000 0.904 779 L HN 0.365 nan 8.230 nan 0.000 0.435 780 Q N -0.137 119.798 119.800 0.225 0.000 2.079 780 Q HA -0.119 4.223 4.340 0.003 0.000 0.200 780 Q C 2.450 178.603 176.000 0.256 0.000 0.974 780 Q CA 1.696 57.612 55.803 0.189 0.000 0.840 780 Q CB -0.400 28.413 28.738 0.126 0.000 0.898 780 Q HN 0.509 nan 8.270 nan 0.000 0.430 781 A N 0.261 123.308 122.820 0.378 0.000 1.902 781 A HA -0.173 4.149 4.320 0.003 0.000 0.217 781 A C 1.938 179.843 177.584 0.535 0.000 1.181 781 A CA 1.259 53.598 52.037 0.503 0.000 0.623 781 A CB -0.813 18.592 19.000 0.675 0.000 0.818 781 A HN 0.346 nan 8.150 nan 0.000 0.443 782 F N 0.605 120.789 119.950 0.390 0.000 2.171 782 F HA -0.148 4.381 4.527 0.004 0.000 0.300 782 F C 2.342 178.141 175.800 -0.001 0.000 1.090 782 F CA 2.016 59.957 58.000 -0.098 0.000 1.293 782 F CB -0.353 38.713 39.000 0.111 0.000 1.013 782 F HN 0.337 nan 8.300 nan 0.000 0.486 783 Q N 0.980 120.807 119.800 0.045 0.000 2.084 783 Q HA -0.187 4.155 4.340 0.003 0.000 0.202 783 Q C 2.071 178.004 176.000 -0.113 0.000 0.978 783 Q CA 1.996 57.755 55.803 -0.073 0.000 0.844 783 Q CB -0.309 28.459 28.738 0.049 0.000 0.898 783 Q HN 0.392 nan 8.270 nan 0.000 0.426 784 K N -0.768 119.635 120.400 0.004 0.000 2.097 784 K HA -0.128 4.193 4.320 0.003 0.000 0.206 784 K C 1.925 178.526 176.600 0.003 0.000 1.049 784 K CA 1.158 57.460 56.287 0.024 0.000 0.933 784 K CB -0.356 32.207 32.500 0.106 0.000 0.717 784 K HN 0.223 nan 8.250 nan 0.000 0.442 785 F N 1.615 121.434 119.950 -0.219 0.000 2.102 785 F HA -0.093 4.435 4.527 0.003 0.000 0.298 785 F C 2.071 177.644 175.800 -0.378 0.000 1.105 785 F CA 1.719 59.536 58.000 -0.304 0.000 1.239 785 F CB -0.925 37.741 39.000 -0.555 0.000 0.991 785 F HN -0.021 nan 8.300 nan 0.000 0.474 786 G N 0.271 108.637 108.800 -0.724 0.000 2.422 786 G HA2 -0.300 3.662 3.960 0.003 0.000 0.218 786 G HA3 -0.300 3.662 3.960 0.003 0.000 0.218 786 G C 1.568 176.216 174.900 -0.421 0.000 1.146 786 G CA 0.900 45.573 45.100 -0.713 0.000 0.769 786 G HN 0.361 nan 8.290 nan 0.000 0.547 787 N N 0.617 119.151 118.700 -0.277 0.000 2.188 787 N HA -0.069 4.673 4.740 0.003 0.000 0.184 787 N C 2.041 177.459 175.510 -0.154 0.000 1.018 787 N CA 1.210 54.156 53.050 -0.174 0.000 0.858 787 N CB -0.237 38.187 38.487 -0.106 0.000 0.989 787 N HN 0.242 nan 8.380 nan 0.000 0.426 788 K N 1.421 121.738 120.400 -0.139 0.000 2.057 788 K HA 0.052 4.374 4.320 0.003 0.000 0.207 788 K C 1.935 178.454 176.600 -0.135 0.000 1.049 788 K CA 0.847 57.084 56.287 -0.083 0.000 0.931 788 K CB -0.443 32.063 32.500 0.010 0.000 0.714 788 K HN 0.124 nan 8.250 nan 0.000 0.440 789 L N 0.330 121.395 121.223 -0.264 0.000 2.083 789 L HA -0.153 4.189 4.340 0.003 0.000 0.209 789 L C 2.230 178.975 176.870 -0.209 0.000 1.083 789 L CA 1.412 56.094 54.840 -0.263 0.000 0.752 789 L CB -0.315 41.485 42.059 -0.432 0.000 0.899 789 L HN 0.148 nan 8.230 nan 0.000 0.433 790 K N -0.134 120.139 120.400 -0.212 0.000 2.148 790 K HA -0.213 4.109 4.320 0.003 0.000 0.204 790 K C 2.021 178.534 176.600 -0.146 0.000 1.050 790 K CA 1.245 57.424 56.287 -0.179 0.000 0.942 790 K CB -0.057 32.345 32.500 -0.164 0.000 0.724 790 K HN 0.292 nan 8.250 nan 0.000 0.446 791 E N 1.214 121.342 120.200 -0.120 0.000 2.072 791 E HA -0.167 4.185 4.350 0.003 0.000 0.191 791 E C 1.899 178.449 176.600 -0.084 0.000 0.985 791 E CA 0.924 57.273 56.400 -0.086 0.000 0.801 791 E CB 0.033 29.697 29.700 -0.060 0.000 0.750 791 E HN 0.229 nan 8.360 nan 0.000 0.452 792 I N 0.915 121.435 120.570 -0.084 0.000 2.252 792 I HA -0.232 3.940 4.170 0.003 0.000 0.245 792 I C 2.596 178.639 176.117 -0.122 0.000 1.102 792 I CA 1.253 62.513 61.300 -0.066 0.000 1.385 792 I CB -0.246 37.733 38.000 -0.036 0.000 1.064 792 I HN 0.236 nan 8.210 nan 0.000 0.414 793 E N 1.122 121.210 120.200 -0.187 0.000 2.085 793 E HA -0.269 4.083 4.350 0.003 0.000 0.194 793 E C 2.010 178.406 176.600 -0.339 0.000 0.994 793 E CA 1.427 57.628 56.400 -0.332 0.000 0.801 793 E CB 0.056 29.549 29.700 -0.344 0.000 0.743 793 E HN 0.471 nan 8.360 nan 0.000 0.453 794 E N 0.321 120.395 120.200 -0.210 0.000 2.118 794 E HA -0.230 4.122 4.350 0.003 0.000 0.195 794 E C 2.075 178.604 176.600 -0.118 0.000 0.992 794 E CA 1.032 57.339 56.400 -0.156 0.000 0.804 794 E CB -0.061 29.577 29.700 -0.103 0.000 0.741 794 E HN 0.147 nan 8.360 nan 0.000 0.458 795 K N 0.988 121.331 120.400 -0.094 0.000 2.057 795 K HA -0.117 4.205 4.320 0.003 0.000 0.206 795 K C 2.111 178.693 176.600 -0.031 0.000 1.050 795 K CA 0.806 57.067 56.287 -0.044 0.000 0.935 795 K CB 0.022 32.511 32.500 -0.019 0.000 0.715 795 K HN 0.084 nan 8.250 nan 0.000 0.439 796 L N 0.563 121.742 121.223 -0.072 0.000 2.141 796 L HA -0.137 4.205 4.340 0.003 0.000 0.209 796 L C 2.335 179.232 176.870 0.044 0.000 1.094 796 L CA 0.557 55.402 54.840 0.008 0.000 0.763 796 L CB -0.358 41.705 42.059 0.005 0.000 0.908 796 L HN 0.026 nan 8.230 nan 0.000 0.437 797 V N 0.033 119.876 119.914 -0.118 0.000 2.343 797 V HA -0.252 3.870 4.120 0.003 0.000 0.247 797 V C 2.666 178.793 176.094 0.056 0.000 1.051 797 V CA 1.672 63.971 62.300 -0.002 0.000 1.036 797 V CB -0.558 31.205 31.823 -0.100 0.000 0.654 797 V HN 0.420 nan 8.190 nan 0.000 0.451 798 R N -0.314 120.196 120.500 0.017 0.000 2.096 798 R HA -0.125 4.217 4.340 0.003 0.000 0.235 798 R C 2.528 178.863 176.300 0.058 0.000 1.127 798 R CA 1.395 57.514 56.100 0.031 0.000 0.968 798 R CB -0.346 29.962 30.300 0.013 0.000 0.861 798 R HN 0.494 nan 8.270 nan 0.000 0.440 799 R N 0.333 120.877 120.500 0.074 0.000 2.081 799 R HA -0.067 4.275 4.340 0.003 0.000 0.235 799 R C 1.925 178.295 176.300 0.116 0.000 1.131 799 R CA 1.258 57.414 56.100 0.093 0.000 0.960 799 R CB -0.295 30.072 30.300 0.111 0.000 0.856 799 R HN 0.225 nan 8.270 nan 0.000 0.436 800 N N 0.599 119.392 118.700 0.155 0.000 2.309 800 N HA -0.093 4.649 4.740 0.003 0.000 0.182 800 N C 0.972 176.555 175.510 0.121 0.000 1.018 800 N CA 0.930 54.079 53.050 0.164 0.000 0.876 800 N CB -0.186 38.434 38.487 0.221 0.000 0.972 800 N HN 0.238 nan 8.380 nan 0.000 0.434 801 N N 0.805 119.565 118.700 0.100 0.000 2.398 801 N HA -0.066 4.676 4.740 0.003 0.000 0.188 801 N C -0.297 175.249 175.510 0.060 0.000 1.122 801 N CA 0.185 53.280 53.050 0.075 0.000 0.866 801 N CB 0.072 38.597 38.487 0.063 0.000 0.970 801 N HN 0.186 nan 8.380 nan 0.000 0.462 802 D N 1.504 121.942 120.400 0.062 0.000 2.338 802 D HA 0.115 4.757 4.640 0.003 0.000 0.255 802 D C -1.595 174.735 176.300 0.049 0.000 1.237 802 D CA -1.999 52.031 54.000 0.050 0.000 0.883 802 D CB 1.505 42.334 40.800 0.049 0.000 1.087 802 D HN 0.003 nan 8.370 nan 0.000 0.485 803 P HA -0.162 nan 4.420 nan 0.000 0.218 803 P C 1.258 178.580 177.300 0.036 0.000 1.146 803 P CA 1.099 64.222 63.100 0.039 0.000 0.813 803 P CB 0.144 31.863 31.700 0.032 0.000 0.778 804 S N -1.295 114.425 115.700 0.034 0.000 2.481 804 S HA -0.020 4.452 4.470 0.003 0.000 0.231 804 S C 1.505 176.123 174.600 0.031 0.000 0.996 804 S CA 0.718 58.936 58.200 0.029 0.000 0.942 804 S CB -1.183 62.032 63.200 0.026 0.000 0.768 804 S HN 0.132 nan 8.310 nan 0.000 0.520 805 L N 0.821 122.067 121.223 0.040 0.000 2.667 805 L HA 0.272 4.614 4.340 0.003 0.000 0.232 805 L C 2.613 179.514 176.870 0.051 0.000 1.138 805 L CA -0.096 54.770 54.840 0.043 0.000 0.921 805 L CB -0.271 41.820 42.059 0.054 0.000 1.180 805 L HN 0.267 nan 8.230 nan 0.000 0.487 806 Q N 1.549 121.379 119.800 0.051 0.000 2.112 806 Q HA -0.185 4.156 4.340 0.003 0.000 0.206 806 Q C 2.000 178.033 176.000 0.055 0.000 0.987 806 Q CA 2.146 57.984 55.803 0.059 0.000 0.858 806 Q CB -0.165 28.603 28.738 0.051 0.000 0.905 806 Q HN 0.517 nan 8.270 nan 0.000 0.420 807 G N 0.786 109.610 108.800 0.040 0.000 2.469 807 G HA2 -0.280 3.682 3.960 0.003 0.000 0.219 807 G HA3 -0.280 3.682 3.960 0.003 0.000 0.219 807 G C 1.316 176.234 174.900 0.030 0.000 1.150 807 G CA 1.089 46.208 45.100 0.032 0.000 0.763 807 G HN 0.380 nan 8.290 nan 0.000 0.561 808 N N -0.435 118.278 118.700 0.022 0.000 2.414 808 N HA 0.088 4.830 4.740 0.003 0.000 0.177 808 N C 2.177 177.712 175.510 0.041 0.000 1.062 808 N CA 0.122 53.176 53.050 0.007 0.000 0.890 808 N CB -0.012 38.456 38.487 -0.031 0.000 1.070 808 N HN 0.280 nan 8.380 nan 0.000 0.454 809 R N -0.292 120.253 120.500 0.075 0.000 2.240 809 R HA 0.200 4.542 4.340 0.003 0.000 0.203 809 R C 0.709 177.122 176.300 0.188 0.000 1.011 809 R CA 0.633 56.815 56.100 0.136 0.000 1.007 809 R CB 0.327 30.715 30.300 0.146 0.000 0.911 809 R HN 0.078 nan 8.270 nan 0.000 0.468 810 L N -1.837 119.473 121.223 0.144 0.000 2.713 810 L HA 0.321 4.663 4.340 0.003 0.000 0.223 810 L C 0.936 177.885 176.870 0.131 0.000 1.040 810 L CA 0.937 55.864 54.840 0.146 0.000 0.894 810 L CB 0.109 42.234 42.059 0.111 0.000 1.361 810 L HN 0.271 nan 8.230 nan 0.000 0.490 811 G N 0.670 109.531 108.800 0.101 0.000 2.752 811 G HA2 -0.226 3.736 3.960 0.003 0.000 0.234 811 G HA3 -0.226 3.736 3.960 0.003 0.000 0.234 811 G C -1.951 172.997 174.900 0.080 0.000 1.367 811 G CA -0.089 45.065 45.100 0.090 0.000 0.879 811 G HN 0.131 nan 8.290 nan 0.000 0.563 812 P HA -0.035 nan 4.420 nan 0.000 0.226 812 P C 1.864 179.202 177.300 0.063 0.000 1.153 812 P CA 2.136 65.271 63.100 0.057 0.000 0.777 812 P CB -0.258 31.469 31.700 0.046 0.000 0.794 813 V N -4.337 115.629 119.914 0.087 0.000 3.461 813 V HA 0.026 4.148 4.120 0.003 0.000 0.267 813 V C 0.762 176.891 176.094 0.058 0.000 1.186 813 V CA 0.335 62.684 62.300 0.082 0.000 1.154 813 V CB -1.390 30.503 31.823 0.117 0.000 0.802 813 V HN -0.008 nan 8.190 nan 0.000 0.474 814 Q N -0.142 119.698 119.800 0.067 0.000 2.439 814 Q HA -0.206 4.136 4.340 0.003 0.000 0.325 814 Q C -0.404 175.630 176.000 0.056 0.000 1.372 814 Q CA 0.894 56.734 55.803 0.061 0.000 0.909 814 Q CB -1.515 27.249 28.738 0.044 0.000 1.167 814 Q HN 0.683 nan 8.270 nan 0.000 0.418 815 L N 0.732 122.001 121.223 0.076 0.000 2.337 815 L HA 0.463 4.805 4.340 0.003 0.000 0.269 815 L C -2.401 174.569 176.870 0.167 0.000 1.018 815 L CA -1.828 53.043 54.840 0.052 0.000 0.876 815 L CB 1.332 43.351 42.059 -0.067 0.000 1.236 815 L HN -0.171 nan 8.230 nan 0.000 0.436 816 P HA -0.070 nan 4.420 nan 0.000 0.261 816 P C -1.308 176.154 177.300 0.269 0.000 1.183 816 P CA 0.314 63.528 63.100 0.191 0.000 0.761 816 P CB -0.011 31.764 31.700 0.124 0.000 0.785 817 Y N 3.839 124.230 120.300 0.152 0.000 2.674 817 Y HA 0.099 4.651 4.550 0.003 0.000 0.354 817 Y C 1.162 176.986 175.900 -0.127 0.000 1.089 817 Y CA 0.637 58.796 58.100 0.098 0.000 1.444 817 Y CB -0.232 38.308 38.460 0.132 0.000 1.187 817 Y HN 0.356 nan 8.280 nan 0.000 0.523 818 T N 1.551 115.671 114.554 -0.724 0.000 3.084 818 T HA 0.125 4.476 4.350 0.003 0.000 0.270 818 T C 1.445 175.559 174.700 -0.976 0.000 1.008 818 T CA -0.106 61.344 62.100 -1.082 0.000 0.900 818 T CB -0.264 67.908 68.868 -1.161 0.000 1.084 818 T HN 0.644 nan 8.240 nan 0.000 0.538 819 L N 0.245 120.707 121.223 -1.268 0.000 2.265 819 L HA 0.173 4.515 4.340 0.003 0.000 0.215 819 L C 1.744 178.398 176.870 -0.360 0.000 1.117 819 L CA 1.166 55.489 54.840 -0.861 0.000 0.782 819 L CB -0.247 41.282 42.059 -0.883 0.000 0.914 819 L HN 0.356 nan 8.230 nan 0.000 0.441 820 L N -1.570 119.506 121.223 -0.245 0.000 2.769 820 L HA 0.132 4.473 4.340 0.003 0.000 0.240 820 L C -0.219 176.736 176.870 0.142 0.000 1.163 820 L CA -0.567 54.295 54.840 0.036 0.000 0.962 820 L CB 0.065 42.223 42.059 0.164 0.000 1.258 820 L HN 0.016 nan 8.230 nan 0.000 0.513 821 Y N 1.231 121.454 120.300 -0.128 0.000 2.544 821 Y HA 0.065 4.617 4.550 0.003 0.000 0.330 821 Y C -1.252 174.576 175.900 -0.119 0.000 1.136 821 Y CA -2.474 55.560 58.100 -0.110 0.000 1.417 821 Y CB 0.238 38.619 38.460 -0.132 0.000 1.229 821 Y HN -0.032 nan 8.280 nan 0.000 0.532 822 P HA -0.108 nan 4.420 nan 0.000 0.217 822 P C -0.033 177.172 177.300 -0.159 0.000 1.150 822 P CA 1.408 64.472 63.100 -0.061 0.000 0.832 822 P CB 0.245 31.873 31.700 -0.119 0.000 0.787 823 S N -2.106 113.457 115.700 -0.228 0.000 2.690 823 S HA 0.686 5.158 4.470 0.003 0.000 0.291 823 S C -0.161 174.159 174.600 -0.466 0.000 1.138 823 S CA -0.483 57.449 58.200 -0.447 0.000 1.013 823 S CB 1.579 64.577 63.200 -0.335 0.000 1.053 823 S HN 0.004 nan 8.310 nan 0.000 0.539 824 S N -0.025 115.227 115.700 -0.747 0.000 2.565 824 S HA 0.392 4.864 4.470 0.003 0.000 0.274 824 S C -1.638 172.714 174.600 -0.413 0.000 1.144 824 S CA -0.699 57.213 58.200 -0.480 0.000 0.849 824 S CB 1.218 64.152 63.200 -0.443 0.000 1.103 824 S HN 0.766 nan 8.310 nan 0.000 0.455 825 E N 1.747 121.853 120.200 -0.157 0.000 2.359 825 E HA 0.282 4.634 4.350 0.003 0.000 0.255 825 E C 0.199 176.818 176.600 0.031 0.000 1.191 825 E CA -0.562 55.803 56.400 -0.059 0.000 0.952 825 E CB 0.458 30.149 29.700 -0.014 0.000 1.152 825 E HN 0.812 nan 8.360 nan 0.000 0.496 826 E N -0.485 119.761 120.200 0.077 0.000 2.409 826 E HA 0.396 4.748 4.350 0.003 0.000 0.257 826 E C 0.495 177.176 176.600 0.135 0.000 1.150 826 E CA -0.210 56.271 56.400 0.135 0.000 0.942 826 E CB 0.425 30.185 29.700 0.101 0.000 0.979 826 E HN 0.600 nan 8.360 nan 0.000 0.447 827 G N 0.436 109.329 108.800 0.155 0.000 2.526 827 G HA2 -0.188 3.773 3.960 0.003 0.000 0.250 827 G HA3 -0.188 3.773 3.960 0.003 0.000 0.250 827 G C -0.965 174.010 174.900 0.125 0.000 1.289 827 G CA -0.386 44.781 45.100 0.112 0.000 0.947 827 G HN 0.669 nan 8.290 nan 0.000 0.517 828 L N 2.068 123.352 121.223 0.103 0.000 2.397 828 L HA 0.489 4.831 4.340 0.003 0.000 0.263 828 L C 1.974 178.979 176.870 0.225 0.000 1.136 828 L CA 0.466 55.388 54.840 0.137 0.000 1.019 828 L CB 0.154 42.263 42.059 0.083 0.000 1.352 828 L HN 0.981 nan 8.230 nan 0.000 0.420 829 T N -0.530 114.148 114.554 0.207 0.000 3.044 829 T HA 0.014 4.366 4.350 0.003 0.000 0.250 829 T C 0.910 175.721 174.700 0.186 0.000 1.081 829 T CA -0.148 62.080 62.100 0.213 0.000 1.040 829 T CB -0.102 68.869 68.868 0.172 0.000 0.962 829 T HN 0.428 nan 8.240 nan 0.000 0.506 830 F N 2.456 122.346 119.950 -0.100 0.000 3.057 830 F HA -0.248 4.281 4.527 0.003 0.000 0.287 830 F C 0.170 175.848 175.800 -0.204 0.000 0.834 830 F CA 0.880 58.731 58.000 -0.248 0.000 1.147 830 F CB -1.352 37.250 39.000 -0.663 0.000 1.245 830 F HN 0.734 nan 8.300 nan 0.000 0.509 831 R N -0.336 120.093 120.500 -0.119 0.000 2.733 831 R HA 0.719 5.061 4.340 0.003 0.000 0.272 831 R C 0.043 176.317 176.300 -0.044 0.000 1.029 831 R CA -0.829 55.154 56.100 -0.194 0.000 0.888 831 R CB 1.269 31.437 30.300 -0.220 0.000 1.251 831 R HN 1.319 nan 8.270 nan 0.000 0.464 832 G N 0.816 109.564 108.800 -0.087 0.000 3.055 832 G HA2 0.011 3.973 3.960 0.003 0.000 0.686 832 G HA3 0.011 3.973 3.960 0.003 0.000 0.686 832 G C -0.888 174.022 174.900 0.018 0.000 1.087 832 G CA -0.584 44.431 45.100 -0.141 0.000 0.779 832 G HN 0.542 nan 8.290 nan 0.000 0.599 833 I N 4.098 124.745 120.570 0.128 0.000 2.371 833 I HA 0.273 4.445 4.170 0.003 0.000 0.282 833 I C -2.075 174.177 176.117 0.224 0.000 1.031 833 I CA -2.200 59.204 61.300 0.175 0.000 1.180 833 I CB 2.009 40.084 38.000 0.124 0.000 1.336 833 I HN 0.189 nan 8.210 nan 0.000 0.467 834 P HA 0.164 nan 4.420 nan 0.000 0.272 834 P C 0.301 177.648 177.300 0.079 0.000 1.240 834 P CA -0.333 62.733 63.100 -0.056 0.000 0.791 834 P CB 0.714 32.418 31.700 0.006 0.000 0.978 835 N N -0.813 117.899 118.700 0.020 0.000 2.309 835 N HA -0.052 4.689 4.740 0.003 0.000 0.182 835 N C 0.672 176.301 175.510 0.199 0.000 1.018 835 N CA 1.055 54.171 53.050 0.110 0.000 0.876 835 N CB -0.122 38.272 38.487 -0.156 0.000 0.972 835 N HN 0.529 nan 8.380 nan 0.000 0.434 836 S N -1.133 114.623 115.700 0.094 0.000 2.806 836 S HA 0.533 5.005 4.470 0.003 0.000 0.306 836 S C -0.326 174.263 174.600 -0.019 0.000 1.167 836 S CA -0.850 57.398 58.200 0.079 0.000 0.847 836 S CB 1.258 64.493 63.200 0.058 0.000 1.216 836 S HN -0.010 nan 8.310 nan 0.000 0.532 837 I N 2.903 123.365 120.570 -0.180 0.000 2.243 837 I HA 0.184 4.356 4.170 0.003 0.000 0.297 837 I C 0.942 176.908 176.117 -0.253 0.000 1.161 837 I CA -0.219 60.711 61.300 -0.618 0.000 1.298 837 I CB 0.522 38.056 38.000 -0.776 0.000 1.475 837 I HN 0.814 nan 8.210 nan 0.000 0.561 838 S N 4.916 120.583 115.700 -0.056 0.000 2.539 838 S HA 0.360 4.832 4.470 0.003 0.000 0.221 838 S C 0.116 174.823 174.600 0.178 0.000 0.987 838 S CA -0.261 57.994 58.200 0.091 0.000 0.929 838 S CB 0.276 63.547 63.200 0.117 0.000 0.832 838 S HN 0.468 nan 8.310 nan 0.000 0.492 839 I N 0.000 120.709 120.570 0.232 0.000 2.984 839 I HA 0.000 4.172 4.170 0.003 0.000 0.288 839 I CA 0.000 61.473 61.300 0.289 0.000 1.566 839 I CB 0.000 38.163 38.000 0.271 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494