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 1y4k_1_A DATA FIRST_RESID 6 DATA SEQUENCE HKIKGTVVLM PKNXXXXXXX XXXXXNLNAF LGRSVSLQLI SATKADAHGK DATA SEQUENCE GKVGKDTFLE GINTSLPTLG AGESAFNIHF EWDGSMGIPG AFYIKNYMQV DATA SEQUENCE EFFLKSLTLE AXXXXGTIRF 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 ASALHAAVGF GQYPYGGLIM 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 0.000 175.424 175.328 0.159 0.000 0.993 6 H CA 0.000 56.112 56.048 0.106 0.000 1.023 6 H CB 0.000 nan 29.762 nan 0.000 1.292 7 K N 1.068 121.566 120.400 0.164 0.000 2.259 7 K HA 0.808 5.131 4.320 0.004 0.000 0.252 7 K C -0.724 176.015 176.600 0.232 0.000 0.936 7 K CA -0.040 56.377 56.287 0.218 0.000 0.810 7 K CB 1.139 33.759 32.500 0.200 0.000 1.143 7 K HN 0.738 nan 8.250 nan 0.000 0.427 8 I N 2.413 123.137 120.570 0.256 0.000 2.339 8 I HA 0.411 4.584 4.170 0.004 0.000 0.290 8 I C 0.807 176.984 176.117 0.101 0.000 0.994 8 I CA -0.987 60.419 61.300 0.176 0.000 1.191 8 I CB 1.592 39.670 38.000 0.131 0.000 1.343 8 I HN 0.806 nan 8.210 nan 0.000 0.458 9 K N 4.750 125.156 120.400 0.010 0.000 2.339 9 K HA 0.675 4.997 4.320 0.004 0.000 0.286 9 K C 0.112 176.615 176.600 -0.161 0.000 1.050 9 K CA -0.211 55.936 56.287 -0.234 0.000 0.956 9 K CB 0.771 33.206 32.500 -0.109 0.000 0.990 9 K HN 0.899 nan 8.250 nan 0.000 0.475 10 G N 0.933 109.591 108.800 -0.237 0.000 2.591 10 G HA2 0.568 4.530 3.960 0.004 0.000 0.306 10 G HA3 0.568 4.530 3.960 0.004 0.000 0.306 10 G C -0.745 174.054 174.900 -0.168 0.000 1.334 10 G CA -0.355 44.669 45.100 -0.127 0.000 0.981 10 G HN 0.584 nan 8.290 nan 0.000 0.491 11 T N 1.172 115.650 114.554 -0.127 0.000 2.770 11 T HA 0.446 4.799 4.350 0.004 0.000 0.283 11 T C -0.020 174.611 174.700 -0.114 0.000 0.988 11 T CA -0.336 61.697 62.100 -0.112 0.000 0.957 11 T CB 1.633 70.446 68.868 -0.092 0.000 0.930 11 T HN 0.332 nan 8.240 nan 0.000 0.443 12 V N 4.491 124.346 119.914 -0.097 0.000 2.406 12 V HA 0.330 4.452 4.120 0.004 0.000 0.272 12 V C 0.131 176.201 176.094 -0.039 0.000 1.043 12 V CA -0.620 61.617 62.300 -0.104 0.000 0.915 12 V CB 1.263 33.010 31.823 -0.128 0.000 0.988 12 V HN 0.689 nan 8.190 nan 0.000 0.466 13 V N 7.049 126.919 119.914 -0.073 0.000 2.398 13 V HA 0.634 4.756 4.120 0.004 0.000 0.286 13 V C -0.187 175.849 176.094 -0.097 0.000 1.026 13 V CA -0.443 61.820 62.300 -0.063 0.000 0.868 13 V CB 1.265 33.052 31.823 -0.060 0.000 0.982 13 V HN 0.792 nan 8.190 nan 0.000 0.443 14 L N 2.779 123.946 121.223 -0.093 0.000 2.322 14 L HA 0.843 5.185 4.340 0.004 0.000 0.252 14 L C -0.765 176.055 176.870 -0.083 0.000 1.055 14 L CA -1.006 53.746 54.840 -0.147 0.000 0.849 14 L CB 2.185 44.028 42.059 -0.360 0.000 1.446 14 L HN 0.500 nan 8.230 nan 0.000 0.416 15 M N 1.615 121.209 119.600 -0.010 0.000 2.142 15 M HA 0.551 5.033 4.480 0.004 0.000 0.299 15 M C -2.536 173.845 176.300 0.135 0.000 0.960 15 M CA -1.369 53.968 55.300 0.063 0.000 0.920 15 M CB 2.377 35.058 32.600 0.134 0.000 1.541 15 M HN 0.457 nan 8.290 nan 0.000 0.429 16 P HA 0.074 nan 4.420 nan 0.000 0.269 16 P C 0.047 177.557 177.300 0.349 0.000 1.209 16 P CA -0.140 63.181 63.100 0.368 0.000 0.776 16 P CB 0.718 32.666 31.700 0.412 0.000 0.876 17 K N 2.157 122.809 120.400 0.420 0.000 2.074 17 K HA -0.192 4.130 4.320 0.004 0.000 0.209 17 K C 0.916 177.686 176.600 0.282 0.000 1.048 17 K CA 1.401 57.944 56.287 0.426 0.000 0.926 17 K CB -0.244 32.440 32.500 0.308 0.000 0.713 17 K HN 0.601 nan 8.250 nan 0.000 0.444 32 L N -0.413 120.986 121.223 0.294 0.000 2.275 32 L HA 0.078 4.421 4.340 0.004 0.000 0.215 32 L C 1.867 179.031 176.870 0.490 0.000 1.119 32 L CA 2.178 57.336 54.840 0.529 0.000 0.790 32 L CB -1.349 40.930 42.059 0.367 0.000 0.919 32 L HN 0.833 nan 8.230 nan 0.000 0.443 33 N N 0.512 119.365 118.700 0.255 0.000 2.272 33 N HA -0.135 4.607 4.740 0.004 0.000 0.185 33 N C 2.101 177.670 175.510 0.098 0.000 1.014 33 N CA 1.334 54.485 53.050 0.169 0.000 0.870 33 N CB -0.035 38.510 38.487 0.096 0.000 0.975 33 N HN 0.682 nan 8.380 nan 0.000 0.433 34 A N 0.409 123.244 122.820 0.025 0.000 2.067 34 A HA -0.043 4.279 4.320 0.004 0.000 0.219 34 A C 1.641 179.092 177.584 -0.223 0.000 1.158 34 A CA 0.710 52.672 52.037 -0.126 0.000 0.661 34 A CB -0.608 18.261 19.000 -0.217 0.000 0.801 34 A HN 0.146 nan 8.150 nan 0.000 0.452 35 F N 0.143 120.061 119.950 -0.053 0.000 2.407 35 F HA 0.108 4.637 4.527 0.004 0.000 0.299 35 F C 1.302 177.003 175.800 -0.164 0.000 1.097 35 F CA 0.312 58.184 58.000 -0.214 0.000 1.422 35 F CB -0.425 38.236 39.000 -0.567 0.000 1.067 35 F HN 0.083 nan 8.300 nan 0.000 0.539 36 L N -1.194 120.092 121.223 0.105 0.000 2.671 36 L HA 0.419 4.761 4.340 0.004 0.000 0.188 36 L C 1.627 178.526 176.870 0.050 0.000 1.165 36 L CA 0.119 55.012 54.840 0.089 0.000 0.926 36 L CB -0.880 41.247 42.059 0.112 0.000 1.664 36 L HN 0.323 nan 8.230 nan 0.000 0.512 37 G N -0.118 108.693 108.800 0.017 0.000 2.550 37 G HA2 -0.317 3.645 3.960 0.004 0.000 0.277 37 G HA3 -0.317 3.645 3.960 0.004 0.000 0.277 37 G C 0.228 175.049 174.900 -0.131 0.000 1.190 37 G CA 0.266 45.329 45.100 -0.062 0.000 0.971 37 G HN 0.636 nan 8.290 nan 0.000 0.559 38 R N 0.435 120.799 120.500 -0.226 0.000 2.831 38 R HA 0.465 4.807 4.340 0.004 0.000 0.337 38 R C 1.843 178.241 176.300 0.163 0.000 1.200 38 R CA 0.460 56.305 56.100 -0.425 0.000 1.088 38 R CB 0.350 30.213 30.300 -0.729 0.000 1.397 38 R HN 0.290 nan 8.270 nan 0.000 0.581 39 S N 0.069 115.925 115.700 0.261 0.000 2.377 39 S HA 0.031 4.503 4.470 0.004 0.000 0.223 39 S C 0.800 175.683 174.600 0.472 0.000 1.030 39 S CA 0.590 58.969 58.200 0.299 0.000 0.970 39 S CB 0.474 63.740 63.200 0.110 0.000 0.830 39 S HN 0.044 nan 8.310 nan 0.000 0.473 40 V N 2.352 122.524 119.914 0.431 0.000 2.482 40 V HA 0.514 4.636 4.120 0.004 0.000 0.295 40 V C -0.566 175.558 176.094 0.050 0.000 1.026 40 V CA -0.854 61.603 62.300 0.263 0.000 0.856 40 V CB 1.609 33.493 31.823 0.102 0.000 1.001 40 V HN 0.337 nan 8.190 nan 0.000 0.424 41 S N 5.470 121.087 115.700 -0.138 0.000 2.472 41 S HA 0.904 5.377 4.470 0.004 0.000 0.303 41 S C -1.016 173.490 174.600 -0.156 0.000 1.099 41 S CA -0.711 57.196 58.200 -0.488 0.000 1.077 41 S CB 1.804 64.458 63.200 -0.910 0.000 1.031 41 S HN 0.388 nan 8.310 nan 0.000 0.487 42 L N 2.035 123.191 121.223 -0.111 0.000 2.342 42 L HA 0.580 4.922 4.340 0.004 0.000 0.271 42 L C -0.068 176.919 176.870 0.194 0.000 1.008 42 L CA -0.267 54.619 54.840 0.077 0.000 0.818 42 L CB 1.840 43.916 42.059 0.029 0.000 1.296 42 L HN 0.768 nan 8.230 nan 0.000 0.427 43 Q N 2.659 122.583 119.800 0.207 0.000 2.309 43 Q HA 0.556 4.898 4.340 0.004 0.000 0.270 43 Q C -1.228 174.787 176.000 0.024 0.000 1.023 43 Q CA -0.491 55.429 55.803 0.194 0.000 0.758 43 Q CB 2.234 31.124 28.738 0.254 0.000 1.247 43 Q HN 0.474 nan 8.270 nan 0.000 0.455 44 L N 3.140 124.229 121.223 -0.223 0.000 2.452 44 L HA 0.363 4.705 4.340 0.004 0.000 0.267 44 L C -0.161 176.615 176.870 -0.157 0.000 1.188 44 L CA 0.005 54.564 54.840 -0.468 0.000 0.821 44 L CB 0.377 41.753 42.059 -1.138 0.000 1.102 44 L HN 0.497 nan 8.230 nan 0.000 0.470 45 I N 0.890 121.348 120.570 -0.187 0.000 2.509 45 I HA 0.188 4.361 4.170 0.004 0.000 0.293 45 I C 0.056 176.232 176.117 0.098 0.000 1.020 45 I CA -0.238 61.025 61.300 -0.062 0.000 1.088 45 I CB 2.076 39.819 38.000 -0.429 0.000 1.267 45 I HN 0.482 nan 8.210 nan 0.000 0.430 46 S N 3.407 119.287 115.700 0.301 0.000 2.548 46 S HA 0.422 4.894 4.470 0.004 0.000 0.277 46 S C 0.998 175.736 174.600 0.229 0.000 1.315 46 S CA -0.147 58.265 58.200 0.352 0.000 1.050 46 S CB 1.239 64.640 63.200 0.336 0.000 0.918 46 S HN 0.730 nan 8.310 nan 0.000 0.497 47 A N 3.401 126.342 122.820 0.202 0.000 2.169 47 A HA 0.125 4.448 4.320 0.004 0.000 0.212 47 A C 1.840 179.493 177.584 0.115 0.000 1.153 47 A CA 1.239 53.369 52.037 0.154 0.000 0.756 47 A CB -0.422 18.666 19.000 0.146 0.000 0.813 47 A HN 0.946 nan 8.150 nan 0.000 0.471 48 T N -4.487 110.144 114.554 0.128 0.000 3.010 48 T HA 0.298 4.651 4.350 0.004 0.000 0.252 48 T C 0.484 175.225 174.700 0.069 0.000 0.963 48 T CA 0.011 62.161 62.100 0.084 0.000 0.952 48 T CB 0.050 68.966 68.868 0.080 0.000 1.182 48 T HN 0.091 nan 8.240 nan 0.000 0.495 49 K N 1.601 122.051 120.400 0.083 0.000 2.213 49 K HA 0.804 5.126 4.320 0.004 0.000 0.270 49 K C -0.661 175.980 176.600 0.068 0.000 1.002 49 K CA -0.233 56.083 56.287 0.048 0.000 0.868 49 K CB 1.672 34.175 32.500 0.005 0.000 1.093 49 K HN 0.494 nan 8.250 nan 0.000 0.454 50 A N 2.441 125.290 122.820 0.049 0.000 2.346 50 A HA 0.550 4.873 4.320 0.004 0.000 0.313 50 A C -0.993 176.615 177.584 0.041 0.000 1.140 50 A CA -0.784 51.288 52.037 0.058 0.000 0.826 50 A CB 0.696 19.720 19.000 0.041 0.000 1.332 50 A HN 0.817 nan 8.150 nan 0.000 0.457 51 D N -0.625 119.808 120.400 0.054 0.000 2.506 51 D HA 0.484 5.126 4.640 0.004 0.000 0.272 51 D C 0.775 177.071 176.300 -0.007 0.000 1.214 51 D CA 0.078 54.103 54.000 0.041 0.000 1.067 51 D CB 0.685 41.542 40.800 0.095 0.000 1.117 51 D HN 0.500 nan 8.370 nan 0.000 0.578 52 A N -1.120 121.652 122.820 -0.079 0.000 2.264 52 A HA -0.061 4.261 4.320 0.004 0.000 0.207 52 A C 0.830 178.205 177.584 -0.348 0.000 1.196 52 A CA 0.815 52.729 52.037 -0.206 0.000 0.778 52 A CB -1.068 17.774 19.000 -0.264 0.000 0.779 52 A HN 0.640 nan 8.150 nan 0.000 0.483 53 H N -2.550 116.515 119.070 -0.009 0.000 2.827 53 H HA 0.366 4.924 4.556 0.004 0.000 0.269 53 H C 1.519 176.826 175.328 -0.035 0.000 1.031 53 H CA 0.566 56.602 56.048 -0.021 0.000 1.202 53 H CB 0.836 30.584 29.762 -0.023 0.000 1.511 53 H HN 0.528 nan 8.280 nan 0.000 0.517 54 G N 0.866 109.697 108.800 0.051 0.000 2.176 54 G HA2 -0.255 3.708 3.960 0.004 0.000 0.232 54 G HA3 -0.255 3.708 3.960 0.004 0.000 0.232 54 G C -0.003 174.894 174.900 -0.005 0.000 0.986 54 G CA -0.397 44.711 45.100 0.013 0.000 0.643 54 G HN 0.277 nan 8.290 nan 0.000 0.522 55 K N 0.975 121.369 120.400 -0.010 0.000 2.201 55 K HA 0.533 4.856 4.320 0.004 0.000 0.278 55 K C 1.083 177.727 176.600 0.074 0.000 1.027 55 K CA -0.157 56.070 56.287 -0.100 0.000 0.909 55 K CB 1.407 33.770 32.500 -0.227 0.000 1.062 55 K HN 0.341 nan 8.250 nan 0.000 0.465 56 G N 2.760 111.694 108.800 0.224 0.000 2.368 56 G HA2 -0.127 3.835 3.960 0.004 0.000 0.233 56 G HA3 -0.127 3.835 3.960 0.004 0.000 0.233 56 G C -0.411 174.685 174.900 0.327 0.000 1.267 56 G CA -0.184 45.118 45.100 0.336 0.000 0.873 56 G HN 0.497 nan 8.290 nan 0.000 0.539 57 K N 0.332 120.869 120.400 0.228 0.000 2.218 57 K HA 0.363 4.685 4.320 0.004 0.000 0.276 57 K C -0.164 176.583 176.600 0.246 0.000 1.022 57 K CA -0.482 55.921 56.287 0.193 0.000 0.946 57 K CB 1.649 34.204 32.500 0.092 0.000 1.000 57 K HN 0.212 nan 8.250 nan 0.000 0.468 58 V N 2.495 122.553 119.914 0.240 0.000 2.398 58 V HA 0.275 4.397 4.120 0.004 0.000 0.286 58 V C 0.913 177.169 176.094 0.270 0.000 1.026 58 V CA -0.789 61.671 62.300 0.267 0.000 0.868 58 V CB 1.310 33.309 31.823 0.295 0.000 0.982 58 V HN 0.980 nan 8.190 nan 0.000 0.443 59 G N 3.326 112.352 108.800 0.377 0.000 2.479 59 G HA2 0.514 4.477 3.960 0.004 0.000 0.275 59 G HA3 0.514 4.477 3.960 0.004 0.000 0.275 59 G C 0.056 175.115 174.900 0.264 0.000 1.421 59 G CA 0.198 45.523 45.100 0.375 0.000 1.059 59 G HN 0.991 nan 8.290 nan 0.000 0.535 60 K N -0.186 120.368 120.400 0.257 0.000 2.098 60 K HA 0.439 4.761 4.320 0.004 0.000 0.258 60 K C 0.035 176.747 176.600 0.187 0.000 0.973 60 K CA -0.626 55.779 56.287 0.197 0.000 0.898 60 K CB 0.309 32.912 32.500 0.172 0.000 1.057 60 K HN 0.571 nan 8.250 nan 0.000 0.447 61 D N 2.047 122.528 120.400 0.136 0.000 2.520 61 D HA 0.093 4.735 4.640 0.004 0.000 0.243 61 D C -0.466 175.827 176.300 -0.012 0.000 1.160 61 D CA 0.920 54.942 54.000 0.036 0.000 0.877 61 D CB 0.445 41.280 40.800 0.058 0.000 1.150 61 D HN 0.473 nan 8.370 nan 0.000 0.494 62 T N 2.942 117.398 114.554 -0.163 0.000 2.879 62 T HA 0.398 4.750 4.350 0.004 0.000 0.290 62 T C -0.151 174.335 174.700 -0.356 0.000 0.993 62 T CA -0.583 61.417 62.100 -0.166 0.000 0.975 62 T CB 0.593 69.322 68.868 -0.232 0.000 0.981 62 T HN 0.044 nan 8.240 nan 0.000 0.439 63 F N 1.425 121.336 119.950 -0.066 0.000 2.440 63 F HA 0.541 5.070 4.527 0.004 0.000 0.328 63 F C 0.599 176.344 175.800 -0.091 0.000 1.070 63 F CA -1.408 56.567 58.000 -0.040 0.000 1.011 63 F CB 0.816 39.813 39.000 -0.006 0.000 1.226 63 F HN 0.266 nan 8.300 nan 0.000 0.491 64 L N 1.909 123.193 121.223 0.101 0.000 2.490 64 L HA 0.077 4.419 4.340 0.004 0.000 0.274 64 L C 0.806 177.725 176.870 0.082 0.000 1.201 64 L CA 0.362 55.213 54.840 0.018 0.000 0.869 64 L CB 0.469 42.480 42.059 -0.080 0.000 1.123 64 L HN 0.784 nan 8.230 nan 0.000 0.484 65 E N 1.631 121.876 120.200 0.075 0.000 2.162 65 E HA 0.215 4.568 4.350 0.004 0.000 0.193 65 E C 0.676 177.338 176.600 0.103 0.000 0.953 65 E CA 0.309 56.760 56.400 0.085 0.000 0.849 65 E CB 0.655 30.410 29.700 0.092 0.000 0.810 65 E HN 0.832 nan 8.360 nan 0.000 0.470 66 G N 0.115 108.998 108.800 0.137 0.000 2.506 66 G HA2 0.296 4.258 3.960 0.004 0.000 0.292 66 G HA3 0.296 4.258 3.960 0.004 0.000 0.292 66 G C -1.410 173.552 174.900 0.104 0.000 1.425 66 G CA -0.851 44.328 45.100 0.132 0.000 0.788 66 G HN -0.033 nan 8.290 nan 0.000 0.490 67 I N 1.797 122.361 120.570 -0.010 0.000 2.379 67 I HA 0.285 4.458 4.170 0.004 0.000 0.290 67 I C 0.529 176.513 176.117 -0.222 0.000 1.063 67 I CA -1.516 59.618 61.300 -0.278 0.000 1.351 67 I CB 0.510 38.371 38.000 -0.232 0.000 1.410 67 I HN 0.555 nan 8.210 nan 0.000 0.505 68 N N 4.192 122.724 118.700 -0.279 0.000 2.420 68 N HA 0.090 4.832 4.740 0.004 0.000 0.262 68 N C 1.058 176.462 175.510 -0.176 0.000 1.144 68 N CA 0.202 53.145 53.050 -0.179 0.000 0.952 68 N CB 1.423 39.816 38.487 -0.156 0.000 1.081 68 N HN 0.816 nan 8.380 nan 0.000 0.480 69 T N -0.625 113.859 114.554 -0.117 0.000 3.069 69 T HA 0.009 4.361 4.350 0.004 0.000 0.252 69 T C 1.746 176.405 174.700 -0.068 0.000 1.053 69 T CA 0.228 62.271 62.100 -0.094 0.000 0.964 69 T CB -0.058 68.766 68.868 -0.072 0.000 1.005 69 T HN 0.427 nan 8.240 nan 0.000 0.532 70 S N 3.066 118.728 115.700 -0.063 0.000 2.355 70 S HA 0.037 4.509 4.470 0.004 0.000 0.210 70 S C 0.963 175.537 174.600 -0.044 0.000 1.035 70 S CA -0.084 58.089 58.200 -0.045 0.000 1.011 70 S CB -1.402 61.775 63.200 -0.037 0.000 1.000 70 S HN 0.542 nan 8.310 nan 0.000 0.423 71 L N 3.252 124.445 121.223 -0.049 0.000 2.884 71 L HA -0.007 4.336 4.340 0.004 0.000 0.294 71 L C -1.235 175.613 176.870 -0.037 0.000 1.164 71 L CA -0.805 54.010 54.840 -0.042 0.000 0.918 71 L CB -0.615 41.412 42.059 -0.053 0.000 1.281 71 L HN 0.416 nan 8.230 nan 0.000 0.478 72 P HA 0.001 nan 4.420 nan 0.000 0.221 72 P C 0.551 177.844 177.300 -0.011 0.000 1.152 72 P CA 0.328 63.417 63.100 -0.018 0.000 0.851 72 P CB 0.155 31.848 31.700 -0.011 0.000 0.833 73 T N 2.585 117.136 114.554 -0.005 0.000 3.058 73 T HA 0.230 4.583 4.350 0.004 0.000 0.249 73 T C -0.043 174.656 174.700 -0.002 0.000 0.949 73 T CA 0.519 62.621 62.100 0.004 0.000 1.204 73 T CB -0.869 68.009 68.868 0.017 0.000 0.963 73 T HN -0.105 nan 8.240 nan 0.000 0.634 74 L N 3.217 124.436 121.223 -0.006 0.000 2.541 74 L HA 0.594 4.936 4.340 0.004 0.000 0.266 74 L C 0.390 177.258 176.870 -0.002 0.000 0.966 74 L CA -0.229 54.603 54.840 -0.013 0.000 0.871 74 L CB 1.309 43.347 42.059 -0.036 0.000 1.232 74 L HN 0.569 nan 8.230 nan 0.000 0.408 75 G N 2.669 111.475 108.800 0.009 0.000 2.684 75 G HA2 0.496 4.459 3.960 0.004 0.000 0.255 75 G HA3 0.496 4.459 3.960 0.004 0.000 0.255 75 G C -0.298 174.614 174.900 0.020 0.000 1.219 75 G CA -0.088 45.024 45.100 0.021 0.000 0.901 75 G HN 0.964 nan 8.290 nan 0.000 0.548 76 A N -1.123 121.715 122.820 0.029 0.000 2.401 76 A HA 0.564 4.886 4.320 0.004 0.000 0.259 76 A C 1.530 179.137 177.584 0.038 0.000 1.103 76 A CA 0.946 53.001 52.037 0.030 0.000 0.789 76 A CB -0.052 18.968 19.000 0.035 0.000 1.035 76 A HN 2.527 nan 8.150 nan 0.000 0.491 77 G N 1.537 110.359 108.800 0.036 0.000 2.205 77 G HA2 -0.230 3.732 3.960 0.004 0.000 0.261 77 G HA3 -0.230 3.732 3.960 0.004 0.000 0.261 77 G C 0.091 175.013 174.900 0.036 0.000 0.980 77 G CA 0.736 45.864 45.100 0.047 0.000 0.632 77 G HN 0.859 nan 8.290 nan 0.000 0.533 78 E N 0.417 120.627 120.200 0.016 0.000 2.277 78 E HA 0.650 5.002 4.350 0.004 0.000 0.274 78 E C -0.367 176.201 176.600 -0.053 0.000 1.022 78 E CA -0.080 56.316 56.400 -0.007 0.000 0.853 78 E CB 1.368 31.067 29.700 -0.003 0.000 1.086 78 E HN 0.178 nan 8.360 nan 0.000 0.397 79 S N 0.720 116.366 115.700 -0.090 0.000 2.540 79 S HA 0.627 5.099 4.470 0.004 0.000 0.275 79 S C -1.175 173.246 174.600 -0.299 0.000 1.123 79 S CA -0.844 57.228 58.200 -0.213 0.000 0.907 79 S CB 1.861 64.924 63.200 -0.229 0.000 1.081 79 S HN 0.586 nan 8.310 nan 0.000 0.476 80 A N 2.117 124.659 122.820 -0.463 0.000 2.324 80 A HA 0.894 5.216 4.320 0.004 0.000 0.330 80 A C -1.288 175.879 177.584 -0.695 0.000 1.165 80 A CA -0.433 51.381 52.037 -0.372 0.000 0.813 80 A CB 0.253 19.114 19.000 -0.231 0.000 1.197 80 A HN 0.612 nan 8.150 nan 0.000 0.484 81 F N 1.501 121.351 119.950 -0.167 0.000 2.540 81 F HA 0.361 4.890 4.527 0.004 0.000 0.317 81 F C 0.297 176.010 175.800 -0.146 0.000 1.104 81 F CA -0.813 57.096 58.000 -0.151 0.000 0.913 81 F CB 1.963 40.852 39.000 -0.184 0.000 1.170 81 F HN 0.494 nan 8.300 nan 0.000 0.450 82 N N 3.045 121.765 118.700 0.033 0.000 2.525 82 N HA 0.596 5.338 4.740 0.004 0.000 0.271 82 N C -0.965 174.506 175.510 -0.066 0.000 1.194 82 N CA -0.090 52.937 53.050 -0.038 0.000 0.964 82 N CB 1.944 40.437 38.487 0.010 0.000 1.126 82 N HN 0.752 nan 8.380 nan 0.000 0.452 83 I N 0.169 120.604 120.570 -0.226 0.000 2.828 83 I HA 0.232 4.404 4.170 0.004 0.000 0.295 83 I C -1.796 173.980 176.117 -0.568 0.000 1.459 83 I CA -0.571 60.539 61.300 -0.316 0.000 1.015 83 I CB 1.629 39.388 38.000 -0.402 0.000 1.345 83 I HN 0.507 nan 8.210 nan 0.000 0.449 84 H N 6.038 124.890 119.070 -0.364 0.000 2.823 84 H HA 0.510 5.068 4.556 0.004 0.000 0.332 84 H C -1.541 173.608 175.328 -0.300 0.000 0.980 84 H CA -0.147 55.767 56.048 -0.225 0.000 1.286 84 H CB 1.489 31.199 29.762 -0.087 0.000 1.541 84 H HN 0.285 nan 8.280 nan 0.000 0.521 85 F N 1.091 121.080 119.950 0.065 0.000 2.410 85 F HA 0.403 4.932 4.527 0.004 0.000 0.349 85 F C 1.031 176.941 175.800 0.183 0.000 1.117 85 F CA -0.756 57.295 58.000 0.086 0.000 1.104 85 F CB 0.964 39.956 39.000 -0.014 0.000 1.122 85 F HN 0.622 nan 8.300 nan 0.000 0.483 86 E N 5.124 125.539 120.200 0.357 0.000 2.292 86 E HA 0.034 4.386 4.350 0.004 0.000 0.265 86 E C -1.146 175.721 176.600 0.446 0.000 1.093 86 E CA -0.200 56.385 56.400 0.307 0.000 0.922 86 E CB 0.327 30.151 29.700 0.205 0.000 1.001 86 E HN 0.680 nan 8.360 nan 0.000 0.444 87 W N 3.230 124.600 121.300 0.117 0.000 2.968 87 W HA 0.365 5.027 4.660 0.004 0.000 0.337 87 W C -1.721 174.836 176.519 0.064 0.000 1.060 87 W CA -0.699 56.697 57.345 0.085 0.000 1.240 87 W CB 1.793 31.299 29.460 0.076 0.000 1.370 87 W HN 0.688 nan 8.180 nan 0.000 0.459 88 D N 1.172 121.371 120.400 -0.334 0.000 2.654 88 D HA 0.373 5.015 4.640 0.004 0.000 0.255 88 D C 1.203 177.356 176.300 -0.244 0.000 1.101 88 D CA -0.520 53.366 54.000 -0.191 0.000 1.116 88 D CB 0.511 41.220 40.800 -0.152 0.000 1.348 88 D HN 0.438 nan 8.370 nan 0.000 0.609 89 G N -0.081 108.639 108.800 -0.133 0.000 2.440 89 G HA2 -0.252 3.711 3.960 0.004 0.000 0.218 89 G HA3 -0.252 3.711 3.960 0.004 0.000 0.218 89 G C 1.242 176.057 174.900 -0.143 0.000 1.154 89 G CA 1.397 46.435 45.100 -0.103 0.000 0.767 89 G HN 0.437 nan 8.290 nan 0.000 0.552 90 S N -0.135 115.465 115.700 -0.166 0.000 2.537 90 S HA 0.032 4.504 4.470 0.004 0.000 0.240 90 S C 1.963 176.426 174.600 -0.228 0.000 0.981 90 S CA 1.088 59.193 58.200 -0.159 0.000 0.948 90 S CB -0.077 63.041 63.200 -0.137 0.000 0.759 90 S HN 0.190 nan 8.310 nan 0.000 0.531 91 M N 0.534 119.896 119.600 -0.398 0.000 2.571 91 M HA 0.325 4.807 4.480 0.004 0.000 0.259 91 M C 1.634 177.773 176.300 -0.269 0.000 1.205 91 M CA 0.721 55.643 55.300 -0.630 0.000 1.138 91 M CB -1.075 30.517 32.600 -1.680 0.000 1.329 91 M HN 0.499 nan 8.290 nan 0.000 0.503 92 G N 1.201 109.932 108.800 -0.115 0.000 2.498 92 G HA2 -0.223 3.739 3.960 0.004 0.000 0.251 92 G HA3 -0.223 3.739 3.960 0.004 0.000 0.251 92 G C -0.366 174.756 174.900 0.370 0.000 1.170 92 G CA -0.189 44.979 45.100 0.115 0.000 0.944 92 G HN 0.267 nan 8.290 nan 0.000 0.567 93 I N 1.570 122.342 120.570 0.336 0.000 2.378 93 I HA 0.575 4.747 4.170 0.004 0.000 0.291 93 I C -2.201 174.080 176.117 0.272 0.000 0.992 93 I CA -1.812 59.675 61.300 0.310 0.000 1.154 93 I CB 1.223 39.328 38.000 0.175 0.000 1.315 93 I HN 0.533 nan 8.210 nan 0.000 0.448 94 P HA 0.302 nan 4.420 nan 0.000 0.271 94 P C 0.856 178.202 177.300 0.076 0.000 1.226 94 P CA 0.182 63.236 63.100 -0.077 0.000 0.765 94 P CB 0.830 32.251 31.700 -0.465 0.000 0.835 95 G N 1.827 110.697 108.800 0.116 0.000 2.944 95 G HA2 0.510 4.472 3.960 0.004 0.000 0.220 95 G HA3 0.510 4.472 3.960 0.004 0.000 0.220 95 G C 0.145 175.152 174.900 0.179 0.000 1.100 95 G CA 0.362 45.553 45.100 0.153 0.000 0.780 95 G HN 0.739 nan 8.290 nan 0.000 0.539 96 A N -0.475 122.425 122.820 0.133 0.000 2.536 96 A HA 0.814 5.136 4.320 0.004 0.000 0.293 96 A C -1.791 175.739 177.584 -0.090 0.000 1.119 96 A CA -0.740 51.265 52.037 -0.053 0.000 0.654 96 A CB 0.907 19.530 19.000 -0.629 0.000 1.291 96 A HN 1.044 nan 8.150 nan 0.000 0.439 97 F N -1.998 117.701 119.950 -0.418 0.000 2.654 97 F HA 0.795 5.324 4.527 0.004 0.000 0.308 97 F C -1.997 173.594 175.800 -0.348 0.000 1.108 97 F CA -1.172 56.556 58.000 -0.454 0.000 0.957 97 F CB 0.705 39.395 39.000 -0.516 0.000 1.309 97 F HN 0.506 nan 8.300 nan 0.000 0.446 98 Y N 3.410 123.723 120.300 0.022 0.000 2.334 98 Y HA 0.691 5.244 4.550 0.004 0.000 0.328 98 Y C -0.114 175.911 175.900 0.209 0.000 1.130 98 Y CA -1.436 56.660 58.100 -0.007 0.000 1.163 98 Y CB 1.657 40.094 38.460 -0.038 0.000 1.207 98 Y HN 0.813 nan 8.280 nan 0.000 0.471 99 I N 3.040 123.816 120.570 0.344 0.000 2.619 99 I HA 0.441 4.614 4.170 0.004 0.000 0.292 99 I C -1.569 174.621 176.117 0.122 0.000 1.100 99 I CA -0.787 60.679 61.300 0.277 0.000 1.043 99 I CB 1.468 39.711 38.000 0.405 0.000 1.239 99 I HN 0.536 nan 8.210 nan 0.000 0.420 100 K N 4.939 125.347 120.400 0.015 0.000 2.376 100 K HA 0.358 4.680 4.320 0.004 0.000 0.257 100 K C -1.060 175.416 176.600 -0.205 0.000 0.939 100 K CA -0.799 55.385 56.287 -0.171 0.000 0.809 100 K CB 1.548 33.829 32.500 -0.365 0.000 1.121 100 K HN 0.421 nan 8.250 nan 0.000 0.425 101 N N 2.547 121.158 118.700 -0.149 0.000 2.469 101 N HA 0.139 4.882 4.740 0.004 0.000 0.253 101 N C -0.635 174.804 175.510 -0.118 0.000 0.970 101 N CA -0.199 52.865 53.050 0.024 0.000 0.940 101 N CB 0.517 39.063 38.487 0.099 0.000 1.128 101 N HN 0.481 nan 8.380 nan 0.000 0.503 102 Y N 1.878 122.285 120.300 0.179 0.000 2.482 102 Y HA 0.295 4.847 4.550 0.004 0.000 0.270 102 Y C 0.838 176.786 175.900 0.080 0.000 1.152 102 Y CA 0.076 58.251 58.100 0.126 0.000 1.292 102 Y CB 0.016 38.569 38.460 0.155 0.000 1.070 102 Y HN 0.405 nan 8.280 nan 0.000 0.528 103 M N -0.072 119.645 119.600 0.195 0.000 2.198 103 M HA 0.035 4.518 4.480 0.004 0.000 0.315 103 M C 1.283 177.621 176.300 0.063 0.000 1.134 103 M CA -0.034 55.324 55.300 0.096 0.000 1.171 103 M CB 0.615 33.242 32.600 0.043 0.000 1.413 103 M HN 0.020 nan 8.290 nan 0.000 0.467 104 Q N 0.514 120.330 119.800 0.027 0.000 2.096 104 Q HA 0.115 4.457 4.340 0.004 0.000 0.197 104 Q C 0.205 176.203 176.000 -0.003 0.000 0.964 104 Q CA 0.874 56.683 55.803 0.011 0.000 0.838 104 Q CB -0.061 28.680 28.738 0.005 0.000 0.906 104 Q HN 0.554 nan 8.270 nan 0.000 0.444 105 V N 3.402 123.318 119.914 0.003 0.000 2.567 105 V HA 0.054 4.177 4.120 0.004 0.000 0.289 105 V C 0.498 176.606 176.094 0.023 0.000 1.049 105 V CA -0.721 61.578 62.300 -0.002 0.000 0.969 105 V CB 1.497 33.337 31.823 0.029 0.000 0.995 105 V HN 0.266 nan 8.190 nan 0.000 0.471 106 E N 4.478 124.607 120.200 -0.119 0.000 2.390 106 E HA 0.285 4.638 4.350 0.004 0.000 0.261 106 E C -1.019 175.747 176.600 0.277 0.000 1.076 106 E CA -0.181 56.116 56.400 -0.173 0.000 0.905 106 E CB 1.276 30.476 29.700 -0.833 0.000 0.984 106 E HN 0.484 nan 8.360 nan 0.000 0.427 107 F N -0.584 119.563 119.950 0.329 0.000 2.613 107 F HA 0.624 5.154 4.527 0.004 0.000 0.314 107 F C -1.396 174.431 175.800 0.046 0.000 1.075 107 F CA -2.023 56.148 58.000 0.286 0.000 0.945 107 F CB 0.970 40.125 39.000 0.259 0.000 1.310 107 F HN 0.286 nan 8.300 nan 0.000 0.467 108 F N 3.908 123.666 119.950 -0.319 0.000 2.371 108 F HA 0.568 5.097 4.527 0.004 0.000 0.363 108 F C -0.818 174.877 175.800 -0.176 0.000 1.122 108 F CA -1.303 56.233 58.000 -0.773 0.000 1.129 108 F CB 0.972 39.167 39.000 -1.341 0.000 1.173 108 F HN 0.592 nan 8.300 nan 0.000 0.489 109 L N 7.768 128.675 121.223 -0.528 0.000 2.313 109 L HA 0.303 4.646 4.340 0.004 0.000 0.282 109 L C 0.742 177.197 176.870 -0.691 0.000 1.092 109 L CA 0.186 54.809 54.840 -0.361 0.000 0.831 109 L CB 0.599 42.506 42.059 -0.252 0.000 1.159 109 L HN 0.570 nan 8.230 nan 0.000 0.442 110 K N 2.409 122.559 120.400 -0.416 0.000 2.078 110 K HA 0.244 4.566 4.320 0.004 0.000 0.203 110 K C 0.329 176.816 176.600 -0.189 0.000 1.043 110 K CA 1.047 57.152 56.287 -0.303 0.000 0.960 110 K CB -0.139 32.286 32.500 -0.125 0.000 0.761 110 K HN 0.791 nan 8.250 nan 0.000 0.448 111 S N -0.571 115.046 115.700 -0.139 0.000 2.611 111 S HA 0.544 5.017 4.470 0.004 0.000 0.268 111 S C -1.632 172.918 174.600 -0.083 0.000 1.156 111 S CA -1.114 57.051 58.200 -0.059 0.000 0.817 111 S CB 1.300 64.498 63.200 -0.003 0.000 1.122 111 S HN 0.021 nan 8.310 nan 0.000 0.466 112 L N 1.171 122.373 121.223 -0.034 0.000 2.385 112 L HA 0.821 5.164 4.340 0.004 0.000 0.273 112 L C -0.909 175.963 176.870 0.002 0.000 0.990 112 L CA 0.238 54.969 54.840 -0.181 0.000 0.821 112 L CB 2.011 43.677 42.059 -0.655 0.000 1.279 112 L HN 0.964 nan 8.230 nan 0.000 0.412 113 T N 5.937 120.459 114.554 -0.053 0.000 2.807 113 T HA 0.667 5.019 4.350 0.004 0.000 0.279 113 T C -0.619 174.055 174.700 -0.043 0.000 0.993 113 T CA -0.367 61.724 62.100 -0.016 0.000 0.970 113 T CB 1.148 69.983 68.868 -0.054 0.000 0.950 113 T HN 0.444 nan 8.240 nan 0.000 0.441 114 L N 3.031 124.249 121.223 -0.008 0.000 2.362 114 L HA 0.527 4.869 4.340 0.004 0.000 0.275 114 L C 0.050 176.904 176.870 -0.026 0.000 0.998 114 L CA -0.914 53.906 54.840 -0.033 0.000 0.820 114 L CB 1.831 43.865 42.059 -0.043 0.000 1.270 114 L HN 0.594 nan 8.230 nan 0.000 0.415 115 E N 3.138 123.323 120.200 -0.025 0.000 2.166 115 E HA 0.785 5.137 4.350 0.004 0.000 0.275 115 E C -0.311 176.291 176.600 0.003 0.000 0.941 115 E CA -0.621 55.769 56.400 -0.016 0.000 0.784 115 E CB 2.485 32.174 29.700 -0.019 0.000 1.115 115 E HN 0.755 nan 8.360 nan 0.000 0.399 122 T N 2.283 116.826 114.554 -0.020 0.000 2.940 122 T HA 0.462 4.814 4.350 0.004 0.000 0.309 122 T C 0.207 174.875 174.700 -0.054 0.000 1.056 122 T CA 0.642 62.718 62.100 -0.040 0.000 1.137 122 T CB 0.482 69.310 68.868 -0.067 0.000 0.976 122 T HN 0.292 nan 8.240 nan 0.000 0.547 123 I N 3.282 123.821 120.570 -0.051 0.000 2.404 123 I HA 0.467 4.640 4.170 0.004 0.000 0.293 123 I C 0.445 176.503 176.117 -0.098 0.000 0.992 123 I CA -0.827 60.410 61.300 -0.105 0.000 1.149 123 I CB 1.527 39.496 38.000 -0.052 0.000 1.315 123 I HN 0.381 nan 8.210 nan 0.000 0.446 124 R N 5.196 125.539 120.500 -0.263 0.000 2.599 124 R HA 0.615 4.957 4.340 0.004 0.000 0.295 124 R C -1.680 174.461 176.300 -0.265 0.000 0.963 124 R CA -0.672 55.330 56.100 -0.163 0.000 0.883 124 R CB 2.237 32.396 30.300 -0.235 0.000 1.171 124 R HN 0.356 nan 8.270 nan 0.000 0.450 125 F N 1.667 121.584 119.950 -0.054 0.000 2.460 125 F HA 0.314 4.843 4.527 0.004 0.000 0.341 125 F C -0.089 175.727 175.800 0.026 0.000 1.130 125 F CA -0.911 57.106 58.000 0.029 0.000 0.962 125 F CB 1.867 40.979 39.000 0.187 0.000 1.171 125 F HN 0.060 nan 8.300 nan 0.000 0.436 126 V N 3.583 123.599 119.914 0.171 0.000 2.350 126 V HA 0.151 4.273 4.120 0.004 0.000 0.276 126 V C 0.231 176.402 176.094 0.127 0.000 1.028 126 V CA -0.239 62.141 62.300 0.132 0.000 0.860 126 V CB 1.076 32.987 31.823 0.146 0.000 0.990 126 V HN 1.142 nan 8.190 nan 0.000 0.453 127 C N 3.916 123.221 119.300 0.008 0.000 2.508 127 C HA 0.222 4.684 4.460 0.004 0.000 0.303 127 C C 1.317 176.259 174.990 -0.080 0.000 1.496 127 C CA 0.165 59.114 59.018 -0.116 0.000 2.041 127 C CB -0.506 26.918 27.740 -0.527 0.000 2.011 127 C HN 0.977 nan 8.230 nan 0.000 0.655 128 N N 1.392 119.921 118.700 -0.285 0.000 2.686 128 N HA -0.145 4.597 4.740 0.004 0.000 0.261 128 N C -0.601 174.757 175.510 -0.253 0.000 1.001 128 N CA 1.306 54.143 53.050 -0.355 0.000 0.764 128 N CB -1.251 37.290 38.487 0.090 0.000 0.898 128 N HN 0.618 nan 8.380 nan 0.000 0.544 129 S N -0.908 114.448 115.700 -0.573 0.000 2.536 129 S HA 0.555 5.027 4.470 0.004 0.000 0.271 129 S C -1.037 173.534 174.600 -0.048 0.000 1.134 129 S CA -0.805 57.412 58.200 0.028 0.000 0.897 129 S CB 0.750 64.164 63.200 0.356 0.000 1.094 129 S HN 0.294 nan 8.310 nan 0.000 0.473 130 W N 2.936 124.484 121.300 0.413 0.000 2.266 130 W HA 0.477 5.140 4.660 0.004 0.000 0.317 130 W C -0.323 176.371 176.519 0.291 0.000 1.310 130 W CA -0.378 57.196 57.345 0.383 0.000 1.207 130 W CB 0.903 30.660 29.460 0.494 0.000 1.199 130 W HN 0.355 nan 8.180 nan 0.000 0.544 131 V N 5.959 125.991 119.914 0.196 0.000 2.304 131 V HA 0.193 4.315 4.120 0.004 0.000 0.278 131 V C -0.297 175.785 176.094 -0.019 0.000 1.018 131 V CA -1.169 61.164 62.300 0.056 0.000 0.814 131 V CB -0.543 31.042 31.823 -0.397 0.000 1.021 131 V HN 0.346 nan 8.190 nan 0.000 0.440 132 Y N 2.097 122.478 120.300 0.136 0.000 2.289 132 Y HA 0.219 4.771 4.550 0.004 0.000 0.332 132 Y C 1.275 177.064 175.900 -0.185 0.000 1.324 132 Y CA -0.517 57.508 58.100 -0.124 0.000 1.478 132 Y CB 0.453 38.684 38.460 -0.382 0.000 1.378 132 Y HN 0.583 nan 8.280 nan 0.000 0.558 133 N N 0.368 119.017 118.700 -0.085 0.000 2.454 133 N HA -0.123 4.619 4.740 0.004 0.000 0.260 133 N C 1.078 176.503 175.510 -0.141 0.000 1.218 133 N CA 0.596 53.594 53.050 -0.087 0.000 0.904 133 N CB 1.154 39.599 38.487 -0.070 0.000 1.065 133 N HN 0.825 nan 8.380 nan 0.000 0.462 134 T N 3.465 117.973 114.554 -0.075 0.000 2.721 134 T HA -0.166 4.186 4.350 0.004 0.000 0.268 134 T C 1.427 176.106 174.700 -0.034 0.000 1.038 134 T CA 1.608 63.692 62.100 -0.026 0.000 1.145 134 T CB 0.010 68.788 68.868 -0.150 0.000 0.858 134 T HN 0.605 nan 8.240 nan 0.000 0.459 135 K N 0.243 120.603 120.400 -0.067 0.000 2.362 135 K HA 0.084 4.406 4.320 0.004 0.000 0.200 135 K C 2.035 178.551 176.600 -0.141 0.000 1.046 135 K CA 0.756 57.005 56.287 -0.063 0.000 0.952 135 K CB -0.125 32.350 32.500 -0.042 0.000 0.753 135 K HN 0.400 nan 8.250 nan 0.000 0.466 136 L N -0.030 121.006 121.223 -0.311 0.000 2.418 136 L HA -0.017 4.326 4.340 0.004 0.000 0.218 136 L C 0.185 176.817 176.870 -0.397 0.000 1.125 136 L CA 0.241 54.754 54.840 -0.544 0.000 0.835 136 L CB -0.044 41.375 42.059 -1.067 0.000 0.953 136 L HN 0.050 nan 8.230 nan 0.000 0.454 137 Y N -0.585 119.644 120.300 -0.119 0.000 2.320 137 Y HA 0.074 4.626 4.550 0.004 0.000 0.334 137 Y C 1.293 177.174 175.900 -0.033 0.000 1.055 137 Y CA -0.769 57.301 58.100 -0.050 0.000 1.143 137 Y CB 1.387 39.824 38.460 -0.038 0.000 1.193 137 Y HN -0.314 nan 8.280 nan 0.000 0.477 138 K N 1.844 122.343 120.400 0.166 0.000 2.002 138 K HA -0.046 4.276 4.320 0.004 0.000 0.209 138 K C 0.682 177.315 176.600 0.056 0.000 1.048 138 K CA 1.604 57.941 56.287 0.083 0.000 0.930 138 K CB -0.479 32.062 32.500 0.069 0.000 0.714 138 K HN 0.854 nan 8.250 nan 0.000 0.438 139 S N -1.355 114.372 115.700 0.044 0.000 2.634 139 S HA 0.599 5.071 4.470 0.004 0.000 0.296 139 S C -0.300 174.258 174.600 -0.071 0.000 1.104 139 S CA -0.829 57.363 58.200 -0.014 0.000 0.920 139 S CB 1.902 65.096 63.200 -0.010 0.000 1.111 139 S HN 0.093 nan 8.310 nan 0.000 0.493 140 V N 2.905 122.735 119.914 -0.139 0.000 2.637 140 V HA 0.281 4.403 4.120 0.004 0.000 0.296 140 V C 0.698 176.698 176.094 -0.156 0.000 1.046 140 V CA -0.615 61.572 62.300 -0.188 0.000 1.066 140 V CB -0.195 31.408 31.823 -0.367 0.000 0.968 140 V HN 0.765 nan 8.190 nan 0.000 0.483 141 R N 3.832 124.179 120.500 -0.255 0.000 2.480 141 R HA 0.210 4.552 4.340 0.004 0.000 0.303 141 R C -0.358 175.801 176.300 -0.234 0.000 0.985 141 R CA 0.244 56.142 56.100 -0.338 0.000 1.051 141 R CB -0.348 29.798 30.300 -0.257 0.000 0.935 141 R HN 0.733 nan 8.270 nan 0.000 0.410 142 I N 3.981 124.261 120.570 -0.483 0.000 2.404 142 I HA 0.401 4.573 4.170 0.004 0.000 0.293 142 I C -1.016 174.431 176.117 -1.117 0.000 0.992 142 I CA -0.794 60.114 61.300 -0.653 0.000 1.149 142 I CB 0.749 38.394 38.000 -0.592 0.000 1.315 142 I HN 0.290 nan 8.210 nan 0.000 0.446 143 F N 6.284 125.678 119.950 -0.927 0.000 2.561 143 F HA 0.555 5.084 4.527 0.004 0.000 0.321 143 F C -0.617 174.740 175.800 -0.737 0.000 1.065 143 F CA -0.518 57.005 58.000 -0.796 0.000 0.934 143 F CB 1.554 40.003 39.000 -0.918 0.000 1.215 143 F HN 0.181 nan 8.300 nan 0.000 0.471 144 F N 0.866 120.832 119.950 0.027 0.000 2.507 144 F HA 0.726 5.256 4.527 0.004 0.000 0.327 144 F C 0.506 176.291 175.800 -0.025 0.000 1.068 144 F CA -1.055 56.959 58.000 0.024 0.000 0.965 144 F CB 1.222 40.195 39.000 -0.044 0.000 1.192 144 F HN 0.574 nan 8.300 nan 0.000 0.476 145 A N 1.299 124.022 122.820 -0.161 0.000 2.346 145 A HA 0.182 4.504 4.320 0.004 0.000 0.252 145 A C 0.830 178.149 177.584 -0.441 0.000 1.089 145 A CA -0.349 51.206 52.037 -0.803 0.000 0.797 145 A CB -0.001 18.388 19.000 -1.018 0.000 1.047 145 A HN 0.827 nan 8.150 nan 0.000 0.494 146 N N 0.466 118.833 118.700 -0.554 0.000 2.421 146 N HA -0.035 4.707 4.740 0.004 0.000 0.201 146 N C -0.191 175.128 175.510 -0.319 0.000 1.198 146 N CA 0.091 52.951 53.050 -0.317 0.000 0.838 146 N CB -0.442 37.912 38.487 -0.222 0.000 1.011 146 N HN 0.582 nan 8.380 nan 0.000 0.463 147 H N 0.215 119.143 119.070 -0.236 0.000 2.615 147 H HA 0.284 4.842 4.556 0.004 0.000 0.363 147 H C 0.050 175.077 175.328 -0.502 0.000 1.148 147 H CA 0.066 55.884 56.048 -0.383 0.000 1.401 147 H CB 0.795 30.284 29.762 -0.455 0.000 1.461 147 H HN 0.003 nan 8.280 nan 0.000 0.588 148 T N 3.221 117.506 114.554 -0.448 0.000 2.797 148 T HA 0.454 4.806 4.350 0.004 0.000 0.279 148 T C -0.791 173.549 174.700 -0.601 0.000 0.991 148 T CA -0.552 61.310 62.100 -0.396 0.000 0.979 148 T CB 0.365 69.112 68.868 -0.201 0.000 0.943 148 T HN 0.330 nan 8.240 nan 0.000 0.444 149 Y N 1.123 121.341 120.300 -0.137 0.000 2.396 149 Y HA 0.441 4.993 4.550 0.004 0.000 0.332 149 Y C 0.270 175.995 175.900 -0.291 0.000 1.034 149 Y CA -1.525 56.478 58.100 -0.162 0.000 1.057 149 Y CB 1.030 39.409 38.460 -0.135 0.000 1.220 149 Y HN 0.596 nan 8.280 nan 0.000 0.440 150 V N 1.233 121.036 119.914 -0.186 0.000 3.139 150 V HA 0.173 4.296 4.120 0.004 0.000 0.307 150 V C -2.130 173.905 176.094 -0.098 0.000 1.095 150 V CA -1.185 60.934 62.300 -0.301 0.000 1.160 150 V CB 0.764 32.386 31.823 -0.334 0.000 1.003 150 V HN 0.588 nan 8.190 nan 0.000 0.489 151 P HA -0.120 nan 4.420 nan 0.000 0.218 151 P C 1.918 179.206 177.300 -0.020 0.000 1.148 151 P CA 2.041 65.144 63.100 0.006 0.000 0.822 151 P CB -0.032 31.716 31.700 0.080 0.000 0.784 152 S N -1.252 114.437 115.700 -0.018 0.000 2.489 152 S HA -0.048 4.424 4.470 0.004 0.000 0.228 152 S C 1.522 176.092 174.600 -0.051 0.000 0.995 152 S CA 0.748 58.933 58.200 -0.025 0.000 0.934 152 S CB -0.749 62.444 63.200 -0.011 0.000 0.771 152 S HN 0.077 nan 8.310 nan 0.000 0.522 153 E N 1.569 121.736 120.200 -0.055 0.000 2.474 153 E HA 0.134 4.487 4.350 0.004 0.000 0.195 153 E C -0.223 176.230 176.600 -0.245 0.000 1.039 153 E CA 0.091 56.457 56.400 -0.057 0.000 0.881 153 E CB 0.223 29.966 29.700 0.072 0.000 0.970 153 E HN 0.467 nan 8.360 nan 0.000 0.486 154 T N 3.760 118.146 114.554 -0.280 0.000 2.888 154 T HA 0.145 4.497 4.350 0.004 0.000 0.301 154 T C -2.350 172.096 174.700 -0.423 0.000 1.001 154 T CA -1.065 60.730 62.100 -0.509 0.000 1.147 154 T CB 0.656 69.369 68.868 -0.259 0.000 0.931 154 T HN -0.077 nan 8.240 nan 0.000 0.541 155 P HA 0.071 nan 4.420 nan 0.000 0.263 155 P C 0.480 177.702 177.300 -0.129 0.000 1.175 155 P CA -0.054 62.892 63.100 -0.257 0.000 0.761 155 P CB 0.367 31.945 31.700 -0.202 0.000 0.794 156 A N 6.020 128.794 122.820 -0.077 0.000 1.972 156 A HA -0.092 4.231 4.320 0.004 0.000 0.219 156 A C -0.486 177.089 177.584 -0.015 0.000 1.169 156 A CA 1.610 53.620 52.037 -0.045 0.000 0.635 156 A CB -2.148 16.832 19.000 -0.033 0.000 0.810 156 A HN 0.488 nan 8.150 nan 0.000 0.446 157 P HA -0.019 nan 4.420 nan 0.000 0.226 157 P C 0.911 178.306 177.300 0.159 0.000 1.153 157 P CA 0.670 63.815 63.100 0.074 0.000 0.777 157 P CB 0.007 31.774 31.700 0.112 0.000 0.794 158 L N -2.314 119.006 121.223 0.161 0.000 2.585 158 L HA 0.053 4.395 4.340 0.004 0.000 0.226 158 L C 2.010 178.980 176.870 0.166 0.000 1.113 158 L CA 0.047 55.068 54.840 0.301 0.000 0.876 158 L CB -0.434 41.779 42.059 0.258 0.000 1.072 158 L HN -0.177 nan 8.230 nan 0.000 0.468 159 V N -0.361 119.569 119.914 0.027 0.000 2.233 159 V HA -0.333 3.790 4.120 0.004 0.000 0.247 159 V C 2.654 178.746 176.094 -0.002 0.000 1.050 159 V CA 2.386 64.680 62.300 -0.010 0.000 1.010 159 V CB -0.292 31.511 31.823 -0.033 0.000 0.637 159 V HN 0.441 nan 8.190 nan 0.000 0.444 160 S N -1.752 113.910 115.700 -0.063 0.000 2.402 160 S HA -0.173 4.299 4.470 0.004 0.000 0.229 160 S C 1.899 176.484 174.600 -0.024 0.000 1.021 160 S CA 1.322 59.470 58.200 -0.087 0.000 0.974 160 S CB -0.358 62.739 63.200 -0.172 0.000 0.800 160 S HN 0.627 nan 8.310 nan 0.000 0.484 161 Y N 1.620 121.973 120.300 0.089 0.000 2.274 161 Y HA 0.038 4.590 4.550 0.004 0.000 0.290 161 Y C 2.516 178.553 175.900 0.229 0.000 1.145 161 Y CA 1.068 59.249 58.100 0.135 0.000 1.203 161 Y CB -0.476 38.070 38.460 0.143 0.000 0.984 161 Y HN 0.210 nan 8.280 nan 0.000 0.533 162 R N 0.305 120.995 120.500 0.316 0.000 2.066 162 R HA -0.183 4.159 4.340 0.004 0.000 0.232 162 R C 2.086 178.427 176.300 0.069 0.000 1.131 162 R CA 1.772 57.934 56.100 0.103 0.000 0.955 162 R CB -0.104 30.162 30.300 -0.057 0.000 0.851 162 R HN 0.215 nan 8.270 nan 0.000 0.432 163 E N 0.450 120.684 120.200 0.057 0.000 2.158 163 E HA -0.123 4.229 4.350 0.004 0.000 0.191 163 E C 1.608 178.229 176.600 0.036 0.000 0.982 163 E CA 1.147 57.565 56.400 0.031 0.000 0.823 163 E CB 0.128 29.837 29.700 0.015 0.000 0.766 163 E HN 0.260 nan 8.360 nan 0.000 0.468 164 E N 0.307 120.545 120.200 0.063 0.000 2.152 164 E HA -0.166 4.186 4.350 0.004 0.000 0.192 164 E C 1.839 178.480 176.600 0.068 0.000 0.983 164 E CA 1.047 57.484 56.400 0.062 0.000 0.818 164 E CB -0.101 29.647 29.700 0.080 0.000 0.758 164 E HN 0.302 nan 8.360 nan 0.000 0.467 165 E N 1.160 121.418 120.200 0.097 0.000 2.077 165 E HA -0.110 4.243 4.350 0.004 0.000 0.193 165 E C 2.143 178.764 176.600 0.035 0.000 0.989 165 E CA 0.738 57.180 56.400 0.071 0.000 0.800 165 E CB -0.296 29.481 29.700 0.128 0.000 0.746 165 E HN 0.176 nan 8.360 nan 0.000 0.452 166 L N -0.009 121.226 121.223 0.019 0.000 1.994 166 L HA -0.238 4.104 4.340 0.004 0.000 0.208 166 L C 2.600 179.454 176.870 -0.027 0.000 1.071 166 L CA 1.812 56.641 54.840 -0.019 0.000 0.745 166 L CB -0.501 41.534 42.059 -0.040 0.000 0.892 166 L HN 0.010 nan 8.230 nan 0.000 0.431 167 K N -0.757 119.635 120.400 -0.014 0.000 2.103 167 K HA -0.182 4.141 4.320 0.004 0.000 0.207 167 K C 2.375 178.980 176.600 0.008 0.000 1.048 167 K CA 1.344 57.625 56.287 -0.011 0.000 0.930 167 K CB -0.775 31.725 32.500 0.000 0.000 0.716 167 K HN 0.446 nan 8.250 nan 0.000 0.444 168 S N 0.471 116.183 115.700 0.020 0.000 2.356 168 S HA -0.071 4.401 4.470 0.004 0.000 0.223 168 S C 1.902 176.533 174.600 0.052 0.000 1.032 168 S CA 1.406 59.625 58.200 0.031 0.000 1.005 168 S CB -0.329 62.887 63.200 0.027 0.000 0.867 168 S HN 0.416 nan 8.310 nan 0.000 0.449 169 L N 0.762 122.024 121.223 0.065 0.000 2.131 169 L HA -0.046 4.297 4.340 0.004 0.000 0.210 169 L C 2.867 179.818 176.870 0.134 0.000 1.092 169 L CA 1.259 56.182 54.840 0.138 0.000 0.759 169 L CB -0.424 41.711 42.059 0.128 0.000 0.903 169 L HN 0.271 nan 8.230 nan 0.000 0.435 170 R N -0.103 120.426 120.500 0.048 0.000 2.148 170 R HA 0.075 4.418 4.340 0.004 0.000 0.223 170 R C 1.265 177.582 176.300 0.029 0.000 1.088 170 R CA 0.513 56.628 56.100 0.026 0.000 0.985 170 R CB -0.291 29.988 30.300 -0.034 0.000 0.880 170 R HN 0.453 nan 8.270 nan 0.000 0.451 171 G N 1.585 110.400 108.800 0.024 0.000 2.601 171 G HA2 -0.367 3.595 3.960 0.004 0.000 0.252 171 G HA3 -0.367 3.595 3.960 0.004 0.000 0.252 171 G C -0.129 174.775 174.900 0.006 0.000 1.294 171 G CA 0.307 45.413 45.100 0.010 0.000 0.912 171 G HN 0.547 nan 8.290 nan 0.000 0.574 172 N N -0.513 118.184 118.700 -0.004 0.000 2.240 172 N HA 0.497 5.239 4.740 0.004 0.000 0.240 172 N C 1.413 176.921 175.510 -0.004 0.000 1.277 172 N CA 1.160 54.210 53.050 -0.000 0.000 0.873 172 N CB 0.707 39.191 38.487 -0.005 0.000 1.222 172 N HN 2.389 nan 8.380 nan 0.000 0.507 173 G N -0.237 108.558 108.800 -0.009 0.000 2.168 173 G HA2 -0.289 3.673 3.960 0.004 0.000 0.257 173 G HA3 -0.289 3.673 3.960 0.004 0.000 0.257 173 G C 0.094 174.975 174.900 -0.031 0.000 0.997 173 G CA 0.916 46.009 45.100 -0.011 0.000 0.708 173 G HN 0.985 nan 8.290 nan 0.000 0.520 174 T N -3.017 111.509 114.554 -0.046 0.000 2.901 174 T HA 0.932 5.284 4.350 0.004 0.000 0.293 174 T C 0.318 174.967 174.700 -0.085 0.000 1.084 174 T CA 0.255 62.320 62.100 -0.059 0.000 1.008 174 T CB 2.409 71.250 68.868 -0.045 0.000 1.170 174 T HN 2.351 nan 8.240 nan 0.000 0.509 175 G N 0.484 109.225 108.800 -0.099 0.000 2.697 175 G HA2 0.058 4.021 3.960 0.004 0.000 0.686 175 G HA3 0.058 4.021 3.960 0.004 0.000 0.686 175 G C -0.757 174.038 174.900 -0.176 0.000 1.179 175 G CA -0.540 44.486 45.100 -0.123 0.000 0.765 175 G HN 1.071 nan 8.290 nan 0.000 0.649 176 E N 1.388 121.477 120.200 -0.186 0.000 2.257 176 E HA 0.279 4.632 4.350 0.004 0.000 0.278 176 E C 0.759 177.153 176.600 -0.343 0.000 1.049 176 E CA -0.684 55.573 56.400 -0.238 0.000 0.876 176 E CB 0.368 29.954 29.700 -0.190 0.000 1.035 176 E HN 0.413 nan 8.360 nan 0.000 0.419 177 R N 3.702 123.893 120.500 -0.515 0.000 2.543 177 R HA 0.225 4.567 4.340 0.004 0.000 0.277 177 R C 0.030 175.900 176.300 -0.717 0.000 1.074 177 R CA -0.068 55.514 56.100 -0.862 0.000 1.076 177 R CB 0.624 29.846 30.300 -1.796 0.000 0.993 177 R HN 0.461 nan 8.270 nan 0.000 0.459 178 K N 1.549 121.542 120.400 -0.680 0.000 2.295 178 K HA 0.145 4.468 4.320 0.004 0.000 0.239 178 K C 0.908 177.220 176.600 -0.480 0.000 0.991 178 K CA -0.796 55.145 56.287 -0.577 0.000 0.845 178 K CB 1.506 33.511 32.500 -0.826 0.000 1.197 178 K HN 0.540 nan 8.250 nan 0.000 0.441 179 E N 0.702 120.652 120.200 -0.416 0.000 2.108 179 E HA -0.257 4.096 4.350 0.004 0.000 0.203 179 E C 1.156 177.543 176.600 -0.355 0.000 1.022 179 E CA 2.191 58.438 56.400 -0.254 0.000 0.823 179 E CB -0.080 29.526 29.700 -0.156 0.000 0.744 179 E HN 0.576 nan 8.360 nan 0.000 0.456 180 Y N -0.166 119.885 120.300 -0.415 0.000 2.490 180 Y HA 0.275 4.827 4.550 0.004 0.000 0.281 180 Y C 0.126 175.908 175.900 -0.196 0.000 1.174 180 Y CA -0.532 57.155 58.100 -0.687 0.000 1.295 180 Y CB -0.260 37.412 38.460 -1.314 0.000 1.062 180 Y HN -0.245 nan 8.280 nan 0.000 0.522 181 D N 2.075 122.341 120.400 -0.224 0.000 2.423 181 D HA 0.105 4.747 4.640 0.004 0.000 0.238 181 D C 0.063 176.445 176.300 0.136 0.000 1.142 181 D CA 0.241 54.249 54.000 0.014 0.000 0.884 181 D CB 0.677 41.393 40.800 -0.141 0.000 1.199 181 D HN 0.358 nan 8.370 nan 0.000 0.438 182 R N 1.455 122.037 120.500 0.136 0.000 2.834 182 R HA 0.366 4.708 4.340 0.004 0.000 0.362 182 R C -0.461 175.904 176.300 0.108 0.000 1.147 182 R CA -0.309 55.858 56.100 0.112 0.000 1.125 182 R CB 0.255 30.665 30.300 0.182 0.000 1.361 182 R HN 0.294 nan 8.270 nan 0.000 0.598 183 I N 1.145 121.747 120.570 0.053 0.000 2.339 183 I HA 0.253 4.425 4.170 0.004 0.000 0.290 183 I C -0.615 175.467 176.117 -0.058 0.000 0.994 183 I CA -0.808 60.524 61.300 0.053 0.000 1.191 183 I CB 0.876 38.877 38.000 0.002 0.000 1.343 183 I HN 0.098 nan 8.210 nan 0.000 0.458 184 Y N 4.961 125.261 120.300 -0.000 0.000 2.335 184 Y HA 0.505 5.057 4.550 0.004 0.000 0.339 184 Y C 0.049 175.864 175.900 -0.141 0.000 0.987 184 Y CA -0.239 57.823 58.100 -0.064 0.000 1.140 184 Y CB 0.915 39.350 38.460 -0.041 0.000 1.173 184 Y HN 0.472 nan 8.280 nan 0.000 0.486 185 D N 0.982 121.308 120.400 -0.124 0.000 2.665 185 D HA 0.295 4.937 4.640 0.004 0.000 0.287 185 D C -1.686 174.425 176.300 -0.314 0.000 1.266 185 D CA -0.794 53.067 54.000 -0.231 0.000 0.830 185 D CB 1.314 42.077 40.800 -0.062 0.000 1.356 185 D HN 0.260 nan 8.370 nan 0.000 0.437 186 Y N 0.330 120.630 120.300 -0.000 0.000 2.457 186 Y HA 0.593 5.145 4.550 0.004 0.000 0.333 186 Y C 0.389 176.259 175.900 -0.050 0.000 1.119 186 Y CA -0.461 57.617 58.100 -0.036 0.000 1.143 186 Y CB 1.489 39.921 38.460 -0.048 0.000 1.230 186 Y HN 0.123 nan 8.280 nan 0.000 0.469 187 D N -0.394 120.067 120.400 0.102 0.000 2.622 187 D HA 0.361 5.003 4.640 0.004 0.000 0.255 187 D C -1.260 175.045 176.300 0.008 0.000 1.246 187 D CA -0.475 53.541 54.000 0.027 0.000 0.795 187 D CB 2.195 42.975 40.800 -0.032 0.000 1.369 187 D HN 0.390 nan 8.370 nan 0.000 0.425 188 V N 0.021 119.948 119.914 0.022 0.000 3.214 188 V HA 0.417 4.539 4.120 0.004 0.000 0.306 188 V C -0.011 176.110 176.094 0.044 0.000 1.078 188 V CA -0.122 62.227 62.300 0.083 0.000 1.077 188 V CB 0.447 32.323 31.823 0.089 0.000 1.121 188 V HN 0.492 nan 8.190 nan 0.000 0.468 189 Y N 2.997 123.304 120.300 0.011 0.000 2.667 189 Y HA 0.298 4.850 4.550 0.004 0.000 0.340 189 Y C 1.260 177.116 175.900 -0.074 0.000 1.303 189 Y CA -0.424 57.664 58.100 -0.020 0.000 1.769 189 Y CB -0.526 37.901 38.460 -0.054 0.000 1.804 189 Y HN 0.858 nan 8.280 nan 0.000 0.451 190 N N -0.366 118.344 118.700 0.017 0.000 2.238 190 N HA -0.026 4.716 4.740 0.004 0.000 0.222 190 N C -0.093 175.397 175.510 -0.034 0.000 1.133 190 N CA 0.080 53.118 53.050 -0.019 0.000 0.854 190 N CB 0.064 38.535 38.487 -0.027 0.000 1.041 190 N HN 0.451 nan 8.380 nan 0.000 0.510 191 D N -0.403 119.986 120.400 -0.019 0.000 2.479 191 D HA 0.110 4.752 4.640 0.004 0.000 0.218 191 D C 1.174 177.518 176.300 0.073 0.000 1.177 191 D CA -0.285 53.710 54.000 -0.008 0.000 0.830 191 D CB -0.157 40.604 40.800 -0.065 0.000 1.014 191 D HN 0.190 nan 8.370 nan 0.000 0.503 192 L N 0.108 121.352 121.223 0.035 0.000 2.221 192 L HA 0.290 4.632 4.340 0.004 0.000 0.202 192 L C 1.602 178.456 176.870 -0.026 0.000 1.074 192 L CA 0.487 55.333 54.840 0.010 0.000 0.795 192 L CB -0.367 41.676 42.059 -0.026 0.000 0.960 192 L HN 0.049 nan 8.230 nan 0.000 0.458 193 G N -0.235 108.540 108.800 -0.042 0.000 2.606 193 G HA2 0.041 4.003 3.960 0.004 0.000 0.252 193 G HA3 0.041 4.003 3.960 0.004 0.000 0.252 193 G C -0.285 174.600 174.900 -0.026 0.000 1.206 193 G CA -0.108 44.963 45.100 -0.048 0.000 0.861 193 G HN 0.126 nan 8.290 nan 0.000 0.561 194 N N 0.601 119.283 118.700 -0.030 0.000 2.696 194 N HA 0.270 5.012 4.740 0.004 0.000 0.308 194 N C -1.455 174.041 175.510 -0.024 0.000 1.915 194 N CA -1.787 51.251 53.050 -0.019 0.000 0.906 194 N CB 1.436 39.914 38.487 -0.016 0.000 1.284 194 N HN 0.153 nan 8.380 nan 0.000 0.488 195 P HA -0.031 nan 4.420 nan 0.000 0.222 195 P C 0.330 177.617 177.300 -0.020 0.000 1.147 195 P CA 0.864 63.949 63.100 -0.025 0.000 0.790 195 P CB 0.617 32.302 31.700 -0.025 0.000 0.780 196 D N 0.121 120.510 120.400 -0.019 0.000 2.224 196 D HA -0.111 4.531 4.640 0.004 0.000 0.205 196 D C 1.967 178.258 176.300 -0.015 0.000 0.965 196 D CA 1.049 55.039 54.000 -0.017 0.000 0.852 196 D CB -0.259 40.530 40.800 -0.017 0.000 0.947 196 D HN 0.286 nan 8.370 nan 0.000 0.494 197 K N -0.575 119.816 120.400 -0.015 0.000 2.262 197 K HA 0.034 4.357 4.320 0.004 0.000 0.200 197 K C -0.089 176.502 176.600 -0.016 0.000 1.049 197 K CA 0.311 56.589 56.287 -0.015 0.000 0.979 197 K CB 0.479 32.971 32.500 -0.014 0.000 0.773 197 K HN -0.028 nan 8.250 nan 0.000 0.474 198 S N -0.791 114.897 115.700 -0.019 0.000 2.604 198 S HA -0.016 4.456 4.470 0.004 0.000 0.296 198 S C 0.151 174.737 174.600 -0.023 0.000 1.097 198 S CA -0.134 58.054 58.200 -0.020 0.000 0.883 198 S CB 1.265 64.451 63.200 -0.022 0.000 1.081 198 S HN 0.257 nan 8.310 nan 0.000 0.448 199 E N 3.306 123.494 120.200 -0.020 0.000 2.265 199 E HA -0.048 4.304 4.350 0.004 0.000 0.196 199 E C 1.228 177.812 176.600 -0.027 0.000 0.996 199 E CA 1.347 57.735 56.400 -0.020 0.000 0.832 199 E CB -0.635 29.056 29.700 -0.013 0.000 0.756 199 E HN 0.724 nan 8.360 nan 0.000 0.491 200 K N -0.072 120.310 120.400 -0.029 0.000 2.283 200 K HA 0.107 4.429 4.320 0.004 0.000 0.202 200 K C 1.862 178.429 176.600 -0.054 0.000 1.048 200 K CA 1.217 57.480 56.287 -0.040 0.000 0.948 200 K CB -0.229 32.248 32.500 -0.037 0.000 0.742 200 K HN 0.368 nan 8.250 nan 0.000 0.458 201 L N 0.540 121.734 121.223 -0.049 0.000 2.653 201 L HA 0.197 4.539 4.340 0.004 0.000 0.231 201 L C 0.517 177.352 176.870 -0.059 0.000 1.153 201 L CA -0.633 54.172 54.840 -0.057 0.000 0.933 201 L CB 0.225 42.256 42.059 -0.047 0.000 1.175 201 L HN -0.041 nan 8.230 nan 0.000 0.473 202 A N 1.043 123.831 122.820 -0.053 0.000 2.425 202 A HA 0.580 4.903 4.320 0.004 0.000 0.249 202 A C 0.122 177.662 177.584 -0.074 0.000 1.084 202 A CA 0.014 52.020 52.037 -0.053 0.000 0.781 202 A CB 0.305 19.282 19.000 -0.037 0.000 1.019 202 A HN 0.215 nan 8.150 nan 0.000 0.490 203 R N 1.532 121.981 120.500 -0.086 0.000 2.771 203 R HA 0.503 4.846 4.340 0.004 0.000 0.274 203 R C -2.924 173.287 176.300 -0.149 0.000 0.987 203 R CA -1.810 54.215 56.100 -0.125 0.000 0.908 203 R CB 1.131 31.345 30.300 -0.144 0.000 1.213 203 R HN 0.668 nan 8.270 nan 0.000 0.468 204 P HA 0.073 nan 4.420 nan 0.000 0.268 204 P C -0.085 177.011 177.300 -0.340 0.000 1.204 204 P CA -0.259 62.633 63.100 -0.346 0.000 0.768 204 P CB 0.558 31.785 31.700 -0.788 0.000 0.842 205 V N 4.380 124.173 119.914 -0.201 0.000 2.572 205 V HA 0.022 4.144 4.120 0.004 0.000 0.291 205 V C 0.804 176.793 176.094 -0.174 0.000 1.039 205 V CA 0.063 62.289 62.300 -0.123 0.000 1.055 205 V CB 0.088 31.899 31.823 -0.020 0.000 0.969 205 V HN 0.344 nan 8.190 nan 0.000 0.482 206 L N 5.219 126.343 121.223 -0.164 0.000 2.287 206 L HA 0.845 5.187 4.340 0.004 0.000 0.287 206 L C 0.507 177.403 176.870 0.044 0.000 1.022 206 L CA -0.116 54.601 54.840 -0.206 0.000 0.814 206 L CB 1.240 42.892 42.059 -0.678 0.000 1.217 206 L HN 0.927 nan 8.230 nan 0.000 0.420 207 G N 1.201 110.104 108.800 0.173 0.000 2.640 207 G HA2 0.332 4.294 3.960 0.004 0.000 0.686 207 G HA3 0.332 4.294 3.960 0.004 0.000 0.686 207 G C 0.267 175.265 174.900 0.164 0.000 1.229 207 G CA -0.305 44.924 45.100 0.215 0.000 0.796 207 G HN 1.083 nan 8.290 nan 0.000 0.654 208 G N -1.174 107.713 108.800 0.146 0.000 2.159 208 G HA2 0.236 4.198 3.960 0.004 0.000 0.256 208 G HA3 0.236 4.198 3.960 0.004 0.000 0.256 208 G C 0.857 175.822 174.900 0.108 0.000 0.977 208 G CA 1.630 46.792 45.100 0.103 0.000 0.652 208 G HN 2.754 nan 8.290 nan 0.000 0.531 209 S N -1.575 114.211 115.700 0.145 0.000 2.661 209 S HA 0.792 5.264 4.470 0.004 0.000 0.285 209 S C 1.200 175.870 174.600 0.116 0.000 1.138 209 S CA 0.732 59.005 58.200 0.122 0.000 0.855 209 S CB 1.571 64.856 63.200 0.142 0.000 1.136 209 S HN 1.353 nan 8.310 nan 0.000 0.484 210 S N 0.175 115.914 115.700 0.064 0.000 2.446 210 S HA -0.005 4.467 4.470 0.004 0.000 0.225 210 S C 1.478 176.074 174.600 -0.007 0.000 1.016 210 S CA 1.050 59.277 58.200 0.045 0.000 0.943 210 S CB -1.188 62.026 63.200 0.023 0.000 0.786 210 S HN 0.770 nan 8.310 nan 0.000 0.508 211 T N 1.280 115.780 114.554 -0.090 0.000 2.737 211 T HA 0.136 4.489 4.350 0.004 0.000 0.265 211 T C -0.122 174.309 174.700 -0.449 0.000 1.038 211 T CA 0.938 62.835 62.100 -0.337 0.000 1.144 211 T CB -0.355 68.205 68.868 -0.514 0.000 0.866 211 T HN 0.457 nan 8.240 nan 0.000 0.434 212 F N 2.615 122.627 119.950 0.103 0.000 2.550 212 F HA 0.371 4.900 4.527 0.004 0.000 0.348 212 F C -2.534 173.367 175.800 0.169 0.000 1.219 212 F CA -3.472 54.599 58.000 0.117 0.000 1.203 212 F CB 0.969 40.003 39.000 0.056 0.000 1.436 212 F HN -0.078 nan 8.300 nan 0.000 0.541 213 P HA 0.207 nan 4.420 nan 0.000 0.274 213 P C -1.171 176.455 177.300 0.544 0.000 1.231 213 P CA -0.061 63.298 63.100 0.432 0.000 0.790 213 P CB 1.814 33.781 31.700 0.445 0.000 0.951 214 Y N 0.852 121.214 120.300 0.104 0.000 2.620 214 Y HA 0.304 4.857 4.550 0.004 0.000 0.331 214 Y C -2.631 172.947 175.900 -0.536 0.000 1.173 214 Y CA -2.006 55.833 58.100 -0.434 0.000 1.076 214 Y CB 1.552 39.868 38.460 -0.240 0.000 1.336 214 Y HN 0.263 nan 8.280 nan 0.000 0.459 215 P HA 0.193 nan 4.420 nan 0.000 0.269 215 P C -0.678 176.488 177.300 -0.222 0.000 1.215 215 P CA -0.129 62.506 63.100 -0.775 0.000 0.780 215 P CB 0.564 31.683 31.700 -0.968 0.000 0.898 216 R N 1.870 122.248 120.500 -0.204 0.000 2.577 216 R HA 0.433 4.775 4.340 0.004 0.000 0.269 216 R C 0.769 177.102 176.300 0.054 0.000 1.084 216 R CA -0.288 55.821 56.100 0.016 0.000 1.163 216 R CB 0.344 30.655 30.300 0.017 0.000 1.100 216 R HN 0.636 nan 8.270 nan 0.000 0.547 217 R N -1.323 119.177 120.500 0.000 0.000 2.930 217 R HA 0.556 4.898 4.340 0.004 0.000 0.257 217 R C -0.142 176.110 176.300 -0.080 0.000 1.107 217 R CA -0.775 55.264 56.100 -0.101 0.000 0.999 217 R CB -0.205 29.845 30.300 -0.418 0.000 1.209 217 R HN 0.591 nan 8.270 nan 0.000 0.486 218 G N 0.802 109.546 108.800 -0.094 0.000 2.313 218 G HA2 0.148 4.110 3.960 0.004 0.000 0.250 218 G HA3 0.148 4.110 3.960 0.004 0.000 0.250 218 G C -0.586 174.269 174.900 -0.075 0.000 1.281 218 G CA -0.475 44.568 45.100 -0.095 0.000 0.917 218 G HN 0.568 nan 8.290 nan 0.000 0.501 219 R N 1.362 121.824 120.500 -0.064 0.000 2.489 219 R HA 0.165 4.507 4.340 0.004 0.000 0.287 219 R C 1.409 177.684 176.300 -0.042 0.000 1.053 219 R CA 0.714 56.776 56.100 -0.062 0.000 1.036 219 R CB 0.432 30.695 30.300 -0.061 0.000 0.966 219 R HN 0.617 nan 8.270 nan 0.000 0.432 220 T N 0.360 114.853 114.554 -0.103 0.000 2.978 220 T HA 0.185 4.537 4.350 0.004 0.000 0.248 220 T C 1.308 175.857 174.700 -0.251 0.000 1.018 220 T CA 0.335 62.346 62.100 -0.149 0.000 1.026 220 T CB 0.419 69.179 68.868 -0.179 0.000 1.032 220 T HN 0.748 nan 8.240 nan 0.000 0.485 221 G N 2.282 110.959 108.800 -0.204 0.000 2.160 221 G HA2 -0.324 3.638 3.960 0.004 0.000 0.251 221 G HA3 -0.324 3.638 3.960 0.004 0.000 0.251 221 G C 0.921 175.710 174.900 -0.185 0.000 1.008 221 G CA 0.421 45.408 45.100 -0.188 0.000 0.724 221 G HN 0.541 nan 8.290 nan 0.000 0.514 222 R N 0.260 120.639 120.500 -0.201 0.000 2.241 222 R HA 0.291 4.633 4.340 0.004 0.000 0.224 222 R C 1.708 177.926 176.300 -0.137 0.000 1.101 222 R CA 1.012 57.004 56.100 -0.181 0.000 0.995 222 R CB -0.160 30.012 30.300 -0.213 0.000 0.870 222 R HN 1.667 nan 8.270 nan 0.000 0.463 223 G N 0.838 109.563 108.800 -0.124 0.000 2.707 223 G HA2 -0.165 3.798 3.960 0.004 0.000 0.686 223 G HA3 -0.165 3.798 3.960 0.004 0.000 0.686 223 G C -2.839 172.011 174.900 -0.084 0.000 1.315 223 G CA -1.005 44.038 45.100 -0.093 0.000 0.832 223 G HN -0.032 nan 8.290 nan 0.000 0.573 224 P HA 0.350 nan 4.420 nan 0.000 0.274 224 P C 0.956 178.225 177.300 -0.051 0.000 1.237 224 P CA 0.519 63.586 63.100 -0.054 0.000 0.793 224 P CB 0.519 32.194 31.700 -0.042 0.000 0.977 225 T N -1.686 112.841 114.554 -0.045 0.000 2.748 225 T HA 0.089 4.442 4.350 0.004 0.000 0.304 225 T C 1.474 176.156 174.700 -0.031 0.000 1.041 225 T CA -0.513 61.565 62.100 -0.037 0.000 1.033 225 T CB -0.239 68.609 68.868 -0.032 0.000 0.995 225 T HN 0.122 nan 8.240 nan 0.000 0.536 226 V N 1.297 121.196 119.914 -0.026 0.000 2.488 226 V HA -0.067 4.056 4.120 0.004 0.000 0.246 226 V C 3.039 179.122 176.094 -0.019 0.000 1.046 226 V CA 1.942 64.229 62.300 -0.022 0.000 1.053 226 V CB -1.213 30.598 31.823 -0.020 0.000 0.679 226 V HN 1.165 nan 8.190 nan 0.000 0.458 227 T N -2.737 111.806 114.554 -0.018 0.000 3.054 227 T HA 0.006 4.358 4.350 0.004 0.000 0.259 227 T C 0.501 175.192 174.700 -0.015 0.000 1.092 227 T CA 0.741 62.832 62.100 -0.016 0.000 1.121 227 T CB 0.107 68.966 68.868 -0.015 0.000 0.912 227 T HN 0.408 nan 8.240 nan 0.000 0.489 228 D N 1.202 121.591 120.400 -0.019 0.000 2.602 228 D HA 0.369 5.011 4.640 0.004 0.000 0.245 228 D C -2.592 173.695 176.300 -0.021 0.000 1.325 228 D CA -2.433 51.556 54.000 -0.018 0.000 0.952 228 D CB 2.232 43.021 40.800 -0.018 0.000 1.317 228 D HN -0.146 nan 8.370 nan 0.000 0.577 229 P HA 0.075 nan 4.420 nan 0.000 0.237 229 P C 0.164 177.451 177.300 -0.022 0.000 1.178 229 P CA 0.671 63.758 63.100 -0.021 0.000 0.766 229 P CB 0.216 31.906 31.700 -0.016 0.000 0.876 230 N N -1.898 116.791 118.700 -0.018 0.000 2.353 230 N HA 0.023 4.766 4.740 0.004 0.000 0.185 230 N C -0.048 175.446 175.510 -0.026 0.000 1.098 230 N CA 0.452 53.492 53.050 -0.017 0.000 0.872 230 N CB 0.039 38.523 38.487 -0.006 0.000 0.970 230 N HN -0.034 nan 8.380 nan 0.000 0.467 231 T N 0.464 114.999 114.554 -0.032 0.000 2.794 231 T HA 0.150 4.502 4.350 0.004 0.000 0.280 231 T C -0.434 174.235 174.700 -0.051 0.000 0.987 231 T CA -0.617 61.459 62.100 -0.040 0.000 0.993 231 T CB 2.026 70.872 68.868 -0.037 0.000 0.939 231 T HN 0.056 nan 8.240 nan 0.000 0.449 232 E N 3.208 123.368 120.200 -0.067 0.000 2.360 232 E HA 0.125 4.477 4.350 0.004 0.000 0.269 232 E C 0.391 176.936 176.600 -0.092 0.000 1.022 232 E CA -0.738 55.605 56.400 -0.096 0.000 0.887 232 E CB 0.561 30.178 29.700 -0.139 0.000 0.990 232 E HN 0.520 nan 8.360 nan 0.000 0.426 233 K N 3.851 124.195 120.400 -0.093 0.000 2.336 233 K HA 0.028 4.350 4.320 0.004 0.000 0.262 233 K C -0.021 176.526 176.600 -0.089 0.000 0.992 233 K CA -0.486 55.755 56.287 -0.076 0.000 0.927 233 K CB 0.530 32.987 32.500 -0.070 0.000 0.956 233 K HN 0.386 nan 8.250 nan 0.000 0.495 234 Q N 0.028 119.808 119.800 -0.033 0.000 2.443 234 Q HA 0.329 4.672 4.340 0.004 0.000 0.232 234 Q C 0.145 176.143 176.000 -0.002 0.000 1.026 234 Q CA 0.172 55.990 55.803 0.026 0.000 0.924 234 Q CB 1.429 30.204 28.738 0.061 0.000 1.256 234 Q HN 0.902 nan 8.270 nan 0.000 0.519 235 G N 0.081 108.938 108.800 0.094 0.000 2.718 235 G HA2 0.249 4.212 3.960 0.004 0.000 0.295 235 G HA3 0.249 4.212 3.960 0.004 0.000 0.295 235 G C -0.061 174.942 174.900 0.172 0.000 1.421 235 G CA -0.433 44.704 45.100 0.061 0.000 0.902 235 G HN 0.460 nan 8.290 nan 0.000 0.501 236 E N -0.407 119.848 120.200 0.092 0.000 2.208 236 E HA 0.020 4.373 4.350 0.004 0.000 0.193 236 E C 0.745 177.417 176.600 0.120 0.000 0.988 236 E CA 0.789 57.242 56.400 0.087 0.000 0.828 236 E CB 0.145 29.868 29.700 0.040 0.000 0.763 236 E HN 0.244 nan 8.360 nan 0.000 0.478 237 V N 1.327 121.328 119.914 0.146 0.000 2.531 237 V HA 0.266 4.388 4.120 0.004 0.000 0.301 237 V C -0.930 175.328 176.094 0.273 0.000 1.034 237 V CA -0.816 61.586 62.300 0.170 0.000 0.865 237 V CB 1.385 33.252 31.823 0.074 0.000 0.995 237 V HN -0.061 nan 8.190 nan 0.000 0.424 238 F N 4.608 124.546 119.950 -0.021 0.000 2.404 238 F HA 0.353 4.882 4.527 0.004 0.000 0.359 238 F C 0.208 176.007 175.800 -0.000 0.000 1.134 238 F CA -1.031 56.961 58.000 -0.014 0.000 1.160 238 F CB 0.306 39.287 39.000 -0.031 0.000 1.186 238 F HN 0.585 nan 8.300 nan 0.000 0.526 239 Y N 5.038 125.314 120.300 -0.040 0.000 2.610 239 Y HA 0.400 4.953 4.550 0.004 0.000 0.332 239 Y C -0.389 175.454 175.900 -0.095 0.000 1.201 239 Y CA -0.616 57.425 58.100 -0.098 0.000 1.465 239 Y CB 0.526 38.881 38.460 -0.175 0.000 1.283 239 Y HN 0.350 nan 8.280 nan 0.000 0.563 240 V N 3.757 123.189 119.914 -0.803 0.000 2.864 240 V HA 0.641 4.763 4.120 0.004 0.000 0.314 240 V C -2.789 172.401 176.094 -1.506 0.000 1.073 240 V CA -3.257 58.438 62.300 -1.009 0.000 0.956 240 V CB 1.490 33.055 31.823 -0.429 0.000 1.023 240 V HN 0.709 nan 8.190 nan 0.000 0.435 241 P HA 0.072 nan 4.420 nan 0.000 0.263 241 P C 0.456 177.524 177.300 -0.386 0.000 1.175 241 P CA 0.278 62.913 63.100 -0.774 0.000 0.761 241 P CB 0.460 31.508 31.700 -1.086 0.000 0.794 242 R N 3.493 123.906 120.500 -0.146 0.000 2.091 242 R HA -0.168 4.174 4.340 0.004 0.000 0.238 242 R C 1.013 177.387 176.300 0.124 0.000 1.136 242 R CA 1.998 58.092 56.100 -0.010 0.000 0.959 242 R CB -0.954 29.420 30.300 0.124 0.000 0.856 242 R HN 0.411 nan 8.270 nan 0.000 0.437 243 D N 0.216 120.742 120.400 0.209 0.000 2.349 243 D HA -0.054 4.588 4.640 0.004 0.000 0.224 243 D C 0.930 177.353 176.300 0.205 0.000 1.029 243 D CA 0.405 54.602 54.000 0.328 0.000 0.879 243 D CB 0.175 41.202 40.800 0.379 0.000 0.906 243 D HN 0.313 nan 8.370 nan 0.000 0.528 244 E N 0.422 120.667 120.200 0.076 0.000 2.285 244 E HA -0.064 4.288 4.350 0.004 0.000 0.194 244 E C 0.736 177.345 176.600 0.015 0.000 0.997 244 E CA 0.195 56.616 56.400 0.035 0.000 0.845 244 E CB -0.187 29.477 29.700 -0.059 0.000 0.782 244 E HN 0.105 nan 8.360 nan 0.000 0.491 245 N N 1.621 120.318 118.700 -0.004 0.000 2.555 245 N HA 0.058 4.800 4.740 0.004 0.000 0.244 245 N C -0.727 174.788 175.510 0.009 0.000 1.114 245 N CA -0.022 53.016 53.050 -0.020 0.000 0.963 245 N CB -0.062 38.383 38.487 -0.070 0.000 1.276 245 N HN -0.037 nan 8.380 nan 0.000 0.510 246 L N 1.843 123.058 121.223 -0.013 0.000 2.367 246 L HA 0.361 4.703 4.340 0.004 0.000 0.275 246 L C 1.474 178.207 176.870 -0.228 0.000 1.129 246 L CA -0.747 54.026 54.840 -0.111 0.000 0.839 246 L CB 0.587 42.540 42.059 -0.177 0.000 1.133 246 L HN 0.400 nan 8.230 nan 0.000 0.453 247 G N 2.012 110.691 108.800 -0.202 0.000 2.504 247 G HA2 0.407 4.369 3.960 0.004 0.000 0.288 247 G HA3 0.407 4.369 3.960 0.004 0.000 0.288 247 G C -0.636 174.003 174.900 -0.435 0.000 1.182 247 G CA -0.364 44.631 45.100 -0.174 0.000 0.894 247 G HN 0.638 nan 8.290 nan 0.000 0.521 248 H N 0.811 119.902 119.070 0.035 0.000 2.679 248 H HA 0.230 4.788 4.556 0.004 0.000 0.360 248 H C 0.778 176.128 175.328 0.037 0.000 1.105 248 H CA -0.579 55.487 56.048 0.030 0.000 1.196 248 H CB 2.386 32.168 29.762 0.033 0.000 1.636 248 H HN 0.263 nan 8.280 nan 0.000 0.531 249 L N 0.898 122.205 121.223 0.140 0.000 2.141 249 L HA -0.059 4.283 4.340 0.004 0.000 0.209 249 L C 0.428 177.358 176.870 0.099 0.000 1.094 249 L CA 1.483 56.384 54.840 0.101 0.000 0.763 249 L CB -0.097 42.009 42.059 0.078 0.000 0.908 249 L HN 0.216 nan 8.230 nan 0.000 0.437 250 K N -0.573 119.892 120.400 0.108 0.000 2.274 250 K HA 0.173 4.495 4.320 0.004 0.000 0.262 250 K C 1.078 177.712 176.600 0.056 0.000 0.961 250 K CA 0.015 56.344 56.287 0.069 0.000 0.833 250 K CB 1.799 34.330 32.500 0.051 0.000 1.102 250 K HN -0.086 nan 8.250 nan 0.000 0.436 251 S N 3.011 118.735 115.700 0.040 0.000 2.419 251 S HA -0.236 4.236 4.470 0.004 0.000 0.233 251 S C 1.668 176.256 174.600 -0.022 0.000 1.016 251 S CA 1.199 59.412 58.200 0.022 0.000 0.974 251 S CB -0.289 62.924 63.200 0.021 0.000 0.786 251 S HN 0.733 nan 8.310 nan 0.000 0.492 252 K N 1.115 121.502 120.400 -0.022 0.000 2.211 252 K HA -0.100 4.222 4.320 0.004 0.000 0.204 252 K C 0.807 177.359 176.600 -0.080 0.000 1.047 252 K CA 1.628 57.891 56.287 -0.041 0.000 0.935 252 K CB -0.386 32.100 32.500 -0.023 0.000 0.728 252 K HN 0.195 nan 8.250 nan 0.000 0.452 253 D N 1.157 121.488 120.400 -0.116 0.000 2.349 253 D HA 0.043 4.685 4.640 0.004 0.000 0.224 253 D C 0.441 176.393 176.300 -0.580 0.000 1.029 253 D CA 0.557 54.409 54.000 -0.247 0.000 0.879 253 D CB 0.369 41.073 40.800 -0.160 0.000 0.906 253 D HN 0.406 nan 8.370 nan 0.000 0.528 254 A N 0.743 123.333 122.820 -0.384 0.000 2.916 254 A HA 0.163 4.485 4.320 0.004 0.000 0.254 254 A C 1.718 179.222 177.584 -0.133 0.000 1.544 254 A CA -0.185 51.675 52.037 -0.295 0.000 1.224 254 A CB -0.948 18.029 19.000 -0.039 0.000 1.012 254 A HN 0.178 nan 8.150 nan 0.000 0.636 255 L N 0.074 121.210 121.223 -0.145 0.000 2.079 255 L HA -0.222 4.120 4.340 0.004 0.000 0.210 255 L C 2.857 179.731 176.870 0.006 0.000 1.081 255 L CA 1.715 56.529 54.840 -0.044 0.000 0.752 255 L CB -0.371 41.683 42.059 -0.008 0.000 0.896 255 L HN 0.741 nan 8.230 nan 0.000 0.433 256 E N 0.919 121.138 120.200 0.033 0.000 2.150 256 E HA -0.215 4.137 4.350 0.004 0.000 0.193 256 E C 2.016 178.637 176.600 0.034 0.000 0.985 256 E CA 1.451 57.888 56.400 0.062 0.000 0.814 256 E CB -0.459 29.301 29.700 0.102 0.000 0.752 256 E HN 0.582 nan 8.360 nan 0.000 0.466 257 I N 1.609 122.195 120.570 0.026 0.000 2.676 257 I HA -0.038 4.134 4.170 0.004 0.000 0.259 257 I C 2.490 178.606 176.117 -0.002 0.000 1.194 257 I CA 0.762 62.069 61.300 0.011 0.000 1.473 257 I CB -0.407 37.604 38.000 0.019 0.000 1.096 257 I HN 0.165 nan 8.210 nan 0.000 0.443 258 G N 1.112 109.910 108.800 -0.004 0.000 2.450 258 G HA2 -0.297 3.665 3.960 0.004 0.000 0.220 258 G HA3 -0.297 3.665 3.960 0.004 0.000 0.220 258 G C 1.803 176.705 174.900 0.003 0.000 1.130 258 G CA 1.499 46.595 45.100 -0.007 0.000 0.760 258 G HN 0.461 nan 8.290 nan 0.000 0.557 259 T N -1.026 113.531 114.554 0.006 0.000 2.788 259 T HA -0.057 4.295 4.350 0.004 0.000 0.268 259 T C 2.133 176.820 174.700 -0.021 0.000 1.044 259 T CA 1.731 63.832 62.100 0.001 0.000 1.139 259 T CB -0.179 68.687 68.868 -0.003 0.000 0.867 259 T HN 0.375 nan 8.240 nan 0.000 0.454 260 K N 0.766 121.146 120.400 -0.033 0.000 2.062 260 K HA -0.018 4.304 4.320 0.004 0.000 0.205 260 K C 2.571 179.153 176.600 -0.030 0.000 1.051 260 K CA 1.303 57.560 56.287 -0.050 0.000 0.941 260 K CB -0.230 32.237 32.500 -0.056 0.000 0.719 260 K HN 0.381 nan 8.250 nan 0.000 0.440 261 S N 1.553 117.244 115.700 -0.015 0.000 2.382 261 S HA -0.147 4.325 4.470 0.004 0.000 0.228 261 S C 1.732 176.335 174.600 0.005 0.000 1.027 261 S CA 0.981 59.176 58.200 -0.008 0.000 0.991 261 S CB -0.292 62.903 63.200 -0.008 0.000 0.823 261 S HN 0.259 nan 8.310 nan 0.000 0.469 262 L N 2.020 123.256 121.223 0.022 0.000 1.990 262 L HA -0.117 4.225 4.340 0.004 0.000 0.213 262 L C 2.488 179.385 176.870 0.045 0.000 1.072 262 L CA 2.200 57.075 54.840 0.057 0.000 0.755 262 L CB -1.177 40.931 42.059 0.080 0.000 0.889 262 L HN 0.323 nan 8.230 nan 0.000 0.432 263 S N -1.382 114.326 115.700 0.013 0.000 2.356 263 S HA -0.245 4.227 4.470 0.004 0.000 0.223 263 S C 1.938 176.535 174.600 -0.005 0.000 1.032 263 S CA 1.764 59.962 58.200 -0.004 0.000 1.005 263 S CB -0.253 62.923 63.200 -0.040 0.000 0.867 263 S HN 0.708 nan 8.310 nan 0.000 0.449 264 Q N -0.805 118.987 119.800 -0.013 0.000 2.302 264 Q HA 0.255 4.598 4.340 0.004 0.000 0.202 264 Q C 1.699 177.693 176.000 -0.010 0.000 0.936 264 Q CA 1.044 56.838 55.803 -0.015 0.000 0.886 264 Q CB 0.185 28.910 28.738 -0.022 0.000 0.986 264 Q HN 0.590 nan 8.270 nan 0.000 0.487 265 I N -1.908 118.656 120.570 -0.009 0.000 3.739 265 I HA -0.063 4.109 4.170 0.004 0.000 0.272 265 I C 1.725 177.824 176.117 -0.030 0.000 1.167 265 I CA 0.193 61.482 61.300 -0.019 0.000 1.386 265 I CB 0.394 38.381 38.000 -0.023 0.000 1.490 265 I HN -0.138 nan 8.210 nan 0.000 0.452 266 V N 0.887 120.789 119.914 -0.021 0.000 2.407 266 V HA -0.222 3.900 4.120 0.004 0.000 0.245 266 V C 2.382 178.468 176.094 -0.015 0.000 1.041 266 V CA 1.961 64.219 62.300 -0.070 0.000 1.040 266 V CB -0.614 31.201 31.823 -0.013 0.000 0.671 266 V HN 0.456 nan 8.190 nan 0.000 0.455 267 Q N 0.503 120.365 119.800 0.103 0.000 2.030 267 Q HA -0.211 4.131 4.340 0.004 0.000 0.204 267 Q C -0.180 175.896 176.000 0.126 0.000 0.986 267 Q CA 2.536 58.446 55.803 0.177 0.000 0.843 267 Q CB -1.032 27.778 28.738 0.120 0.000 0.904 267 Q HN 0.467 nan 8.270 nan 0.000 0.420 268 P HA -0.121 nan 4.420 nan 0.000 0.218 268 P C 0.591 177.919 177.300 0.047 0.000 1.148 268 P CA 1.937 65.063 63.100 0.045 0.000 0.822 268 P CB -0.169 31.541 31.700 0.017 0.000 0.784 269 A N -1.402 121.416 122.820 -0.002 0.000 1.898 269 A HA -0.163 4.159 4.320 0.004 0.000 0.216 269 A C 1.915 179.518 177.584 0.032 0.000 1.181 269 A CA 1.275 53.284 52.037 -0.046 0.000 0.620 269 A CB -1.700 17.203 19.000 -0.161 0.000 0.819 269 A HN 0.028 nan 8.150 nan 0.000 0.442 270 F N 0.350 120.352 119.950 0.087 0.000 2.102 270 F HA -0.131 4.399 4.527 0.004 0.000 0.298 270 F C 2.377 178.308 175.800 0.219 0.000 1.105 270 F CA 1.640 59.732 58.000 0.154 0.000 1.239 270 F CB -0.858 38.219 39.000 0.129 0.000 0.991 270 F HN 0.321 nan 8.300 nan 0.000 0.474 271 E N -0.285 120.097 120.200 0.304 0.000 2.130 271 E HA -0.234 4.118 4.350 0.004 0.000 0.196 271 E C 2.337 179.075 176.600 0.231 0.000 0.998 271 E CA 1.713 58.230 56.400 0.195 0.000 0.806 271 E CB -0.264 29.489 29.700 0.088 0.000 0.738 271 E HN 0.412 nan 8.360 nan 0.000 0.459 272 S N 0.364 116.171 115.700 0.178 0.000 2.406 272 S HA -0.033 4.439 4.470 0.004 0.000 0.228 272 S C 2.171 176.847 174.600 0.126 0.000 1.020 272 S CA 0.749 59.021 58.200 0.120 0.000 0.965 272 S CB -0.008 63.233 63.200 0.068 0.000 0.798 272 S HN 0.270 nan 8.310 nan 0.000 0.488 273 A N 0.506 123.427 122.820 0.168 0.000 2.019 273 A HA 0.173 4.495 4.320 0.004 0.000 0.219 273 A C 1.776 179.341 177.584 -0.031 0.000 1.164 273 A CA 1.120 53.194 52.037 0.062 0.000 0.644 273 A CB -0.831 18.204 19.000 0.059 0.000 0.805 273 A HN 0.575 nan 8.150 nan 0.000 0.449 274 F N 0.133 120.102 119.950 0.032 0.000 2.262 274 F HA 0.000 4.529 4.527 0.004 0.000 0.292 274 F C 1.928 177.729 175.800 0.003 0.000 1.081 274 F CA 1.065 59.068 58.000 0.004 0.000 1.355 274 F CB -0.272 38.720 39.000 -0.014 0.000 1.069 274 F HN 0.136 nan 8.300 nan 0.000 0.506 275 D N 0.340 120.856 120.400 0.193 0.000 2.182 275 D HA -0.112 4.531 4.640 0.004 0.000 0.201 275 D C 1.918 178.254 176.300 0.060 0.000 0.986 275 D CA 1.241 55.303 54.000 0.103 0.000 0.847 275 D CB -0.278 40.569 40.800 0.079 0.000 0.942 275 D HN 0.255 nan 8.370 nan 0.000 0.467 276 L N 0.158 121.408 121.223 0.045 0.000 2.629 276 L HA 0.138 4.481 4.340 0.004 0.000 0.230 276 L C 0.204 177.068 176.870 -0.010 0.000 1.151 276 L CA -0.078 54.771 54.840 0.015 0.000 0.924 276 L CB -0.120 41.947 42.059 0.013 0.000 1.137 276 L HN -0.094 nan 8.230 nan 0.000 0.457 277 K N -0.584 119.805 120.400 -0.019 0.000 3.077 277 K HA -0.191 4.131 4.320 0.004 0.000 0.264 277 K C 0.835 177.386 176.600 -0.082 0.000 1.008 277 K CA 0.553 56.811 56.287 -0.049 0.000 0.740 277 K CB -2.006 30.482 32.500 -0.021 0.000 1.273 277 K HN 0.280 nan 8.250 nan 0.000 0.477 278 S N -0.528 115.101 115.700 -0.118 0.000 2.524 278 S HA 0.005 4.477 4.470 0.004 0.000 0.216 278 S C 0.665 175.168 174.600 -0.162 0.000 0.987 278 S CA 0.393 58.526 58.200 -0.112 0.000 0.909 278 S CB 0.833 63.986 63.200 -0.077 0.000 0.781 278 S HN 0.496 nan 8.310 nan 0.000 0.521 279 T N 2.389 116.778 114.554 -0.274 0.000 2.916 279 T HA 0.467 4.819 4.350 0.004 0.000 0.305 279 T C -3.137 171.372 174.700 -0.320 0.000 1.119 279 T CA -1.989 59.923 62.100 -0.314 0.000 1.008 279 T CB 1.251 69.852 68.868 -0.445 0.000 1.129 279 T HN -0.235 nan 8.240 nan 0.000 0.480 280 P HA 0.196 nan 4.420 nan 0.000 0.266 280 P C 0.859 178.115 177.300 -0.073 0.000 1.195 280 P CA -0.356 62.712 63.100 -0.053 0.000 0.768 280 P CB 0.377 32.118 31.700 0.069 0.000 0.838 281 I N 0.125 120.718 120.570 0.039 0.000 2.617 281 I HA -0.006 4.166 4.170 0.004 0.000 0.256 281 I C 1.002 177.139 176.117 0.034 0.000 1.167 281 I CA 1.518 62.911 61.300 0.155 0.000 1.469 281 I CB -0.616 37.465 38.000 0.135 0.000 1.098 281 I HN 0.379 nan 8.210 nan 0.000 0.436 282 E N 0.266 120.405 120.200 -0.102 0.000 2.244 282 E HA 0.354 4.706 4.350 0.004 0.000 0.266 282 E C -1.024 175.271 176.600 -0.509 0.000 0.914 282 E CA -0.897 55.294 56.400 -0.350 0.000 0.794 282 E CB 2.048 31.521 29.700 -0.378 0.000 1.210 282 E HN -0.166 nan 8.360 nan 0.000 0.414 283 F N 1.573 121.345 119.950 -0.295 0.000 2.484 283 F HA 0.074 4.603 4.527 0.004 0.000 0.360 283 F C 1.878 177.421 175.800 -0.429 0.000 1.101 283 F CA 0.263 58.117 58.000 -0.243 0.000 1.251 283 F CB 0.397 39.325 39.000 -0.119 0.000 1.132 283 F HN 0.427 nan 8.300 nan 0.000 0.570 284 H N -0.094 119.097 119.070 0.202 0.000 2.740 284 H HA 0.210 4.768 4.556 0.004 0.000 0.265 284 H C 0.306 175.666 175.328 0.052 0.000 0.978 284 H CA 0.619 56.725 56.048 0.096 0.000 1.198 284 H CB 0.741 30.535 29.762 0.053 0.000 1.467 284 H HN 0.518 nan 8.280 nan 0.000 0.511 285 S N -1.024 114.758 115.700 0.135 0.000 2.596 285 S HA 0.213 4.685 4.470 0.004 0.000 0.270 285 S C 0.115 174.786 174.600 0.117 0.000 1.155 285 S CA -0.746 57.480 58.200 0.043 0.000 0.827 285 S CB 0.745 63.963 63.200 0.029 0.000 1.130 285 S HN -0.173 nan 8.310 nan 0.000 0.467 286 F N 1.207 121.103 119.950 -0.090 0.000 2.216 286 F HA 0.045 4.574 4.527 0.004 0.000 0.300 286 F C 2.677 178.351 175.800 -0.210 0.000 1.085 286 F CA 1.317 59.204 58.000 -0.189 0.000 1.326 286 F CB -1.124 37.851 39.000 -0.042 0.000 1.027 286 F HN 0.723 nan 8.300 nan 0.000 0.497 287 Q N 0.886 120.804 119.800 0.197 0.000 2.226 287 Q HA -0.164 4.178 4.340 0.004 0.000 0.204 287 Q C 1.484 177.498 176.000 0.024 0.000 0.975 287 Q CA 1.618 57.527 55.803 0.177 0.000 0.866 287 Q CB -0.485 28.336 28.738 0.138 0.000 0.915 287 Q HN 0.233 nan 8.270 nan 0.000 0.440 288 D N -1.065 119.337 120.400 0.003 0.000 2.178 288 D HA -0.113 4.529 4.640 0.004 0.000 0.201 288 D C 1.683 177.889 176.300 -0.157 0.000 0.980 288 D CA 1.127 55.143 54.000 0.027 0.000 0.842 288 D CB 0.089 41.009 40.800 0.200 0.000 0.948 288 D HN 0.191 nan 8.370 nan 0.000 0.472 289 V N 1.013 120.619 119.914 -0.513 0.000 2.407 289 V HA -0.163 3.960 4.120 0.004 0.000 0.245 289 V C 2.154 177.943 176.094 -0.509 0.000 1.041 289 V CA 1.209 63.030 62.300 -0.799 0.000 1.040 289 V CB -0.500 30.686 31.823 -1.063 0.000 0.671 289 V HN 0.281 nan 8.190 nan 0.000 0.455 290 H N -0.003 118.867 119.070 -0.333 0.000 2.456 290 H HA -0.122 4.436 4.556 0.004 0.000 0.296 290 H C 2.056 176.958 175.328 -0.711 0.000 1.079 290 H CA 1.459 57.183 56.048 -0.540 0.000 1.322 290 H CB -0.245 29.348 29.762 -0.281 0.000 1.388 290 H HN 0.429 nan 8.280 nan 0.000 0.538 291 D N 0.746 121.004 120.400 -0.236 0.000 2.218 291 D HA -0.093 4.549 4.640 0.004 0.000 0.204 291 D C 2.362 178.587 176.300 -0.126 0.000 0.976 291 D CA 0.261 54.174 54.000 -0.145 0.000 0.853 291 D CB -0.183 40.599 40.800 -0.030 0.000 0.939 291 D HN 0.329 nan 8.370 nan 0.000 0.481 292 L N 0.040 121.189 121.223 -0.122 0.000 2.127 292 L HA -0.197 4.146 4.340 0.004 0.000 0.211 292 L C 1.823 178.830 176.870 0.229 0.000 1.089 292 L CA 1.122 56.017 54.840 0.092 0.000 0.757 292 L CB -0.462 41.622 42.059 0.041 0.000 0.899 292 L HN 0.254 nan 8.230 nan 0.000 0.434 293 Y N -3.106 117.305 120.300 0.185 0.000 2.531 293 Y HA 0.391 4.943 4.550 0.004 0.000 0.249 293 Y C 1.369 177.350 175.900 0.135 0.000 1.168 293 Y CA -0.732 57.488 58.100 0.200 0.000 1.226 293 Y CB -0.417 38.155 38.460 0.186 0.000 1.177 293 Y HN 0.054 nan 8.280 nan 0.000 0.527 294 E N 0.851 121.036 120.200 -0.026 0.000 2.933 294 E HA 0.253 4.605 4.350 0.004 0.000 0.301 294 E C 1.881 178.509 176.600 0.046 0.000 0.836 294 E CA 0.248 56.653 56.400 0.009 0.000 1.213 294 E CB -0.402 29.238 29.700 -0.099 0.000 2.349 294 E HN 0.298 nan 8.360 nan 0.000 0.558 295 G N 0.065 108.877 108.800 0.020 0.000 2.551 295 G HA2 0.325 4.288 3.960 0.004 0.000 0.216 295 G HA3 0.325 4.288 3.960 0.004 0.000 0.216 295 G C 0.639 175.573 174.900 0.057 0.000 1.137 295 G CA 0.602 45.724 45.100 0.038 0.000 0.798 295 G HN 0.588 nan 8.290 nan 0.000 0.536 296 G N -0.827 108.015 108.800 0.070 0.000 2.483 296 G HA2 -0.047 3.915 3.960 0.004 0.000 0.521 296 G HA3 -0.047 3.915 3.960 0.004 0.000 0.521 296 G C -0.882 174.081 174.900 0.106 0.000 1.278 296 G CA -0.288 44.878 45.100 0.110 0.000 0.965 296 G HN 0.727 nan 8.290 nan 0.000 0.504 297 I N 0.479 121.126 120.570 0.128 0.000 2.404 297 I HA 0.516 4.689 4.170 0.004 0.000 0.293 297 I C 0.256 176.422 176.117 0.082 0.000 0.992 297 I CA -1.107 60.260 61.300 0.111 0.000 1.149 297 I CB 1.024 39.119 38.000 0.157 0.000 1.315 297 I HN 0.481 nan 8.210 nan 0.000 0.446 298 K N 8.226 128.658 120.400 0.052 0.000 2.312 298 K HA 0.480 4.803 4.320 0.004 0.000 0.287 298 K C -1.122 175.502 176.600 0.040 0.000 1.062 298 K CA -0.260 56.054 56.287 0.045 0.000 0.934 298 K CB 1.040 33.535 32.500 -0.010 0.000 1.027 298 K HN 0.527 nan 8.250 nan 0.000 0.478 299 L N 3.826 125.102 121.223 0.087 0.000 2.309 299 L HA 0.482 4.824 4.340 0.004 0.000 0.261 299 L C -2.406 174.553 176.870 0.147 0.000 1.021 299 L CA -2.810 52.078 54.840 0.080 0.000 0.823 299 L CB 1.872 43.981 42.059 0.084 0.000 1.366 299 L HN 0.333 nan 8.230 nan 0.000 0.423 300 P HA 0.119 nan 4.420 nan 0.000 0.267 300 P C -0.011 177.341 177.300 0.087 0.000 1.200 300 P CA -0.079 63.102 63.100 0.133 0.000 0.772 300 P CB 0.522 32.254 31.700 0.053 0.000 0.855 301 R N 2.024 122.549 120.500 0.042 0.000 2.117 301 R HA -0.180 4.162 4.340 0.004 0.000 0.243 301 R C 1.536 177.782 176.300 -0.091 0.000 1.143 301 R CA 1.945 57.950 56.100 -0.159 0.000 0.968 301 R CB -0.604 29.581 30.300 -0.191 0.000 0.863 301 R HN 0.650 nan 8.270 nan 0.000 0.444 302 D N 0.160 120.535 120.400 -0.042 0.000 2.277 302 D HA -0.071 4.571 4.640 0.004 0.000 0.208 302 D C 1.765 178.036 176.300 -0.049 0.000 0.962 302 D CA 0.593 54.568 54.000 -0.041 0.000 0.865 302 D CB -0.239 40.547 40.800 -0.024 0.000 0.939 302 D HN 0.071 nan 8.370 nan 0.000 0.510 303 V N 1.400 121.287 119.914 -0.045 0.000 2.270 303 V HA -0.207 3.915 4.120 0.004 0.000 0.245 303 V C 2.707 178.731 176.094 -0.116 0.000 1.043 303 V CA 0.958 63.212 62.300 -0.076 0.000 1.014 303 V CB -0.345 31.450 31.823 -0.046 0.000 0.645 303 V HN 0.140 nan 8.190 nan 0.000 0.447 304 I N 0.539 121.052 120.570 -0.095 0.000 2.151 304 I HA -0.235 3.938 4.170 0.004 0.000 0.243 304 I C 2.490 178.554 176.117 -0.090 0.000 1.080 304 I CA 1.964 63.203 61.300 -0.102 0.000 1.339 304 I CB -1.463 36.479 38.000 -0.096 0.000 1.039 304 I HN 0.306 nan 8.210 nan 0.000 0.409 305 S N -0.035 115.616 115.700 -0.082 0.000 2.453 305 S HA -0.084 4.388 4.470 0.004 0.000 0.231 305 S C 1.942 176.508 174.600 -0.057 0.000 1.005 305 S CA 1.161 59.322 58.200 -0.066 0.000 0.949 305 S CB -0.202 62.959 63.200 -0.064 0.000 0.774 305 S HN 0.498 nan 8.310 nan 0.000 0.510 306 T N 2.181 116.694 114.554 -0.068 0.000 2.857 306 T HA 0.155 4.507 4.350 0.004 0.000 0.266 306 T C 1.665 176.324 174.700 -0.070 0.000 1.048 306 T CA 0.828 62.889 62.100 -0.066 0.000 1.139 306 T CB -0.164 68.658 68.868 -0.077 0.000 0.874 306 T HN 0.321 nan 8.240 nan 0.000 0.455 307 I N 0.385 120.900 120.570 -0.091 0.000 2.429 307 I HA 0.092 4.265 4.170 0.004 0.000 0.247 307 I C 2.273 178.384 176.117 -0.010 0.000 1.099 307 I CA 0.515 61.772 61.300 -0.071 0.000 1.422 307 I CB -0.204 37.710 38.000 -0.143 0.000 1.112 307 I HN 0.136 nan 8.210 nan 0.000 0.430 308 I N 2.583 123.145 120.570 -0.014 0.000 2.248 308 I HA -0.207 3.965 4.170 0.004 0.000 0.248 308 I C -0.644 175.473 176.117 0.000 0.000 1.107 308 I CA 1.771 63.076 61.300 0.009 0.000 1.373 308 I CB -0.705 37.287 38.000 -0.012 0.000 1.055 308 I HN 0.152 nan 8.210 nan 0.000 0.418 309 P HA 0.123 nan 4.420 nan 0.000 0.261 309 P C 0.154 177.447 177.300 -0.011 0.000 1.268 309 P CA 0.222 63.316 63.100 -0.011 0.000 0.833 309 P CB -0.012 31.680 31.700 -0.014 0.000 1.231 310 L N 2.936 124.151 121.223 -0.013 0.000 2.380 310 L HA 0.270 4.612 4.340 0.004 0.000 0.273 310 L C -1.769 175.089 176.870 -0.021 0.000 1.138 310 L CA -2.119 52.712 54.840 -0.015 0.000 0.832 310 L CB -0.024 42.025 42.059 -0.016 0.000 1.124 310 L HN -0.105 nan 8.230 nan 0.000 0.454 311 P HA 0.048 nan 4.420 nan 0.000 0.269 311 P C 0.744 178.019 177.300 -0.042 0.000 1.215 311 P CA -0.028 63.057 63.100 -0.025 0.000 0.780 311 P CB 1.438 33.129 31.700 -0.014 0.000 0.898 312 V N 0.791 120.671 119.914 -0.057 0.000 0.542 312 V HA -0.350 3.772 4.120 0.004 0.000 0.092 312 V C 2.143 178.159 176.094 -0.131 0.000 2.107 312 V CA 2.311 64.561 62.300 -0.083 0.000 3.514 312 V CB -2.126 29.655 31.823 -0.070 0.000 0.805 312 V HN 0.583 nan 8.190 nan 0.000 0.840 313 I N 1.360 121.858 120.570 -0.120 0.000 2.830 313 I HA -0.141 4.031 4.170 0.004 0.000 0.263 313 I C 2.329 178.368 176.117 -0.131 0.000 1.230 313 I CA 2.305 63.496 61.300 -0.182 0.000 1.480 313 I CB -1.012 36.950 38.000 -0.063 0.000 1.095 313 I HN 0.818 nan 8.210 nan 0.000 0.455 314 K N 1.892 122.249 120.400 -0.071 0.000 2.217 314 K HA -0.105 4.217 4.320 0.004 0.000 0.202 314 K C 1.461 178.024 176.600 -0.061 0.000 1.051 314 K CA 1.264 57.529 56.287 -0.038 0.000 0.952 314 K CB -0.001 32.487 32.500 -0.020 0.000 0.736 314 K HN 0.181 nan 8.250 nan 0.000 0.453 315 E N 0.837 120.978 120.200 -0.098 0.000 2.340 315 E HA 0.110 4.463 4.350 0.004 0.000 0.194 315 E C 1.764 178.260 176.600 -0.172 0.000 0.996 315 E CA 0.227 56.567 56.400 -0.101 0.000 0.869 315 E CB 0.091 29.744 29.700 -0.078 0.000 0.835 315 E HN 0.170 nan 8.360 nan 0.000 0.493 316 L N -0.032 121.001 121.223 -0.315 0.000 2.046 316 L HA -0.083 4.259 4.340 0.004 0.000 0.208 316 L C 0.028 176.592 176.870 -0.510 0.000 1.077 316 L CA 1.088 55.614 54.840 -0.524 0.000 0.747 316 L CB -0.014 41.459 42.059 -0.977 0.000 0.896 316 L HN 0.168 nan 8.230 nan 0.000 0.432 317 Y N -1.073 119.141 120.300 -0.144 0.000 2.468 317 Y HA 0.442 4.994 4.550 0.004 0.000 0.342 317 Y C 0.155 176.003 175.900 -0.088 0.000 1.021 317 Y CA -1.386 56.610 58.100 -0.173 0.000 1.079 317 Y CB 0.811 39.139 38.460 -0.219 0.000 1.226 317 Y HN -0.145 nan 8.280 nan 0.000 0.460 318 R N 0.725 121.292 120.500 0.112 0.000 2.410 318 R HA 0.592 4.934 4.340 0.004 0.000 0.288 318 R C -0.299 176.044 176.300 0.071 0.000 1.051 318 R CA -0.359 55.786 56.100 0.075 0.000 1.021 318 R CB 1.380 31.721 30.300 0.069 0.000 1.032 318 R HN 0.743 nan 8.270 nan 0.000 0.481 319 T N -0.472 114.112 114.554 0.049 0.000 2.883 319 T HA 0.094 4.446 4.350 0.004 0.000 0.301 319 T C -0.205 174.509 174.700 0.024 0.000 1.158 319 T CA -0.832 61.287 62.100 0.032 0.000 1.007 319 T CB 1.311 70.192 68.868 0.021 0.000 1.186 319 T HN 0.706 nan 8.240 nan 0.000 0.499 320 D N 0.558 120.970 120.400 0.020 0.000 2.339 320 D HA 0.222 4.864 4.640 0.004 0.000 0.217 320 D C 1.491 177.790 176.300 -0.002 0.000 1.050 320 D CA 0.882 54.893 54.000 0.017 0.000 0.856 320 D CB -0.319 40.499 40.800 0.031 0.000 0.922 320 D HN 1.120 nan 8.370 nan 0.000 0.518 321 G N 0.016 108.806 108.800 -0.015 0.000 2.205 321 G HA2 -0.334 3.628 3.960 0.004 0.000 0.261 321 G HA3 -0.334 3.628 3.960 0.004 0.000 0.261 321 G C 1.020 175.873 174.900 -0.079 0.000 0.980 321 G CA 0.616 45.694 45.100 -0.036 0.000 0.632 321 G HN 0.418 nan 8.290 nan 0.000 0.533 322 Q N -1.782 117.959 119.800 -0.097 0.000 2.642 322 Q HA 0.262 4.604 4.340 0.004 0.000 0.202 322 Q C 1.630 177.390 176.000 -0.400 0.000 0.845 322 Q CA 1.101 56.763 55.803 -0.235 0.000 0.873 322 Q CB 0.369 29.029 28.738 -0.131 0.000 1.190 322 Q HN 0.693 nan 8.270 nan 0.000 0.642 323 H N -1.196 117.868 119.070 -0.010 0.000 3.622 323 H HA 0.392 4.950 4.556 0.004 0.000 0.259 323 H C -0.054 175.268 175.328 -0.009 0.000 1.145 323 H CA -0.143 55.898 56.048 -0.012 0.000 1.178 323 H CB 1.643 31.400 29.762 -0.008 0.000 1.542 323 H HN -0.000 nan 8.280 nan 0.000 0.586 324 I N 2.344 122.973 120.570 0.099 0.000 2.353 324 I HA 0.223 4.395 4.170 0.004 0.000 0.293 324 I C -0.804 175.325 176.117 0.020 0.000 0.992 324 I CA -0.400 60.940 61.300 0.067 0.000 1.268 324 I CB 1.749 39.788 38.000 0.066 0.000 1.387 324 I HN -0.028 nan 8.210 nan 0.000 0.478 325 L N 6.801 128.025 121.223 0.002 0.000 2.362 325 L HA 0.533 4.875 4.340 0.004 0.000 0.275 325 L C -0.650 176.221 176.870 0.001 0.000 0.998 325 L CA -0.796 53.994 54.840 -0.083 0.000 0.820 325 L CB 1.897 43.775 42.059 -0.301 0.000 1.270 325 L HN 0.523 nan 8.230 nan 0.000 0.415 326 K N 2.996 123.419 120.400 0.037 0.000 2.397 326 K HA 0.541 4.863 4.320 0.004 0.000 0.253 326 K C -1.244 175.473 176.600 0.194 0.000 0.932 326 K CA -0.586 55.800 56.287 0.165 0.000 0.795 326 K CB 2.406 34.998 32.500 0.153 0.000 1.159 326 K HN 0.161 nan 8.250 nan 0.000 0.424 327 F N 3.262 123.380 119.950 0.280 0.000 2.370 327 F HA 0.293 4.822 4.527 0.004 0.000 0.324 327 F C -1.572 174.393 175.800 0.275 0.000 1.116 327 F CA -1.917 56.281 58.000 0.330 0.000 1.123 327 F CB 0.493 39.728 39.000 0.391 0.000 1.238 327 F HN 0.354 nan 8.300 nan 0.000 0.536 328 P HA -0.032 nan 4.420 nan 0.000 0.272 328 P C -1.217 176.247 177.300 0.273 0.000 1.223 328 P CA -0.492 62.741 63.100 0.221 0.000 0.784 328 P CB 0.564 32.286 31.700 0.037 0.000 0.923 329 Q N 2.689 122.534 119.800 0.074 0.000 2.281 329 Q HA 0.163 4.505 4.340 0.004 0.000 0.267 329 Q C -2.092 173.755 176.000 -0.255 0.000 1.053 329 Q CA -1.643 53.992 55.803 -0.280 0.000 0.905 329 Q CB -0.096 28.510 28.738 -0.220 0.000 1.195 329 Q HN 0.278 nan 8.270 nan 0.000 0.398 330 P HA -0.011 nan 4.420 nan 0.000 0.268 330 P C -0.400 176.735 177.300 -0.275 0.000 1.205 330 P CA 0.090 63.032 63.100 -0.263 0.000 0.771 330 P CB 0.626 32.044 31.700 -0.470 0.000 0.858 331 H N 0.896 119.791 119.070 -0.292 0.000 2.394 331 H HA -0.147 4.411 4.556 0.004 0.000 0.297 331 H C 1.762 176.870 175.328 -0.367 0.000 1.113 331 H CA 1.580 57.404 56.048 -0.373 0.000 1.277 331 H CB -0.608 28.776 29.762 -0.631 0.000 1.370 331 H HN 0.148 nan 8.280 nan 0.000 0.506 332 V N 1.040 120.799 119.914 -0.260 0.000 2.759 332 V HA -0.109 4.014 4.120 0.004 0.000 0.256 332 V C 1.671 177.725 176.094 -0.068 0.000 1.080 332 V CA 1.538 63.732 62.300 -0.177 0.000 1.101 332 V CB -0.290 31.467 31.823 -0.110 0.000 0.698 332 V HN 0.470 nan 8.190 nan 0.000 0.477 333 V N -3.172 116.670 119.914 -0.120 0.000 3.483 333 V HA 0.209 4.331 4.120 0.004 0.000 0.301 333 V C 1.757 177.803 176.094 -0.080 0.000 1.389 333 V CA 0.572 62.839 62.300 -0.056 0.000 1.101 333 V CB -0.040 31.753 31.823 -0.049 0.000 0.971 333 V HN 0.487 nan 8.190 nan 0.000 0.434 334 Q N 0.314 120.043 119.800 -0.117 0.000 2.291 334 Q HA -0.015 4.327 4.340 0.004 0.000 0.205 334 Q C 2.009 177.978 176.000 -0.051 0.000 0.970 334 Q CA 1.763 57.502 55.803 -0.107 0.000 0.876 334 Q CB 0.284 28.930 28.738 -0.153 0.000 0.935 334 Q HN 0.688 nan 8.270 nan 0.000 0.455 335 V N -1.254 118.643 119.914 -0.029 0.000 2.806 335 V HA 0.063 4.185 4.120 0.004 0.000 0.239 335 V C 0.571 176.667 176.094 0.004 0.000 1.113 335 V CA 0.472 62.768 62.300 -0.007 0.000 1.137 335 V CB 1.375 33.199 31.823 0.002 0.000 0.865 335 V HN -0.001 nan 8.190 nan 0.000 0.482 336 S N -0.617 115.092 115.700 0.015 0.000 2.707 336 S HA 0.276 4.748 4.470 0.004 0.000 0.303 336 S C 0.422 175.057 174.600 0.058 0.000 1.132 336 S CA -0.467 57.748 58.200 0.025 0.000 1.046 336 S CB 1.726 64.941 63.200 0.025 0.000 1.004 336 S HN 0.365 nan 8.310 nan 0.000 0.483 337 Q N 3.187 123.015 119.800 0.048 0.000 2.291 337 Q HA -0.086 4.256 4.340 0.004 0.000 0.206 337 Q C 1.362 177.497 176.000 0.225 0.000 0.976 337 Q CA 1.921 57.778 55.803 0.090 0.000 0.875 337 Q CB -0.015 28.681 28.738 -0.070 0.000 0.927 337 Q HN 0.824 nan 8.270 nan 0.000 0.450 338 S N -2.215 113.536 115.700 0.084 0.000 2.526 338 S HA 0.299 4.771 4.470 0.004 0.000 0.220 338 S C 1.786 176.222 174.600 -0.273 0.000 1.017 338 S CA 0.143 58.296 58.200 -0.078 0.000 0.930 338 S CB 0.498 63.654 63.200 -0.073 0.000 0.856 338 S HN 0.365 nan 8.310 nan 0.000 0.497 339 A N 2.609 125.386 122.820 -0.073 0.000 2.070 339 A HA -0.002 4.321 4.320 0.004 0.000 0.220 339 A C 1.967 179.527 177.584 -0.041 0.000 1.159 339 A CA 1.180 53.184 52.037 -0.056 0.000 0.656 339 A CB -1.386 17.632 19.000 0.029 0.000 0.800 339 A HN 0.945 nan 8.150 nan 0.000 0.453 340 W N -0.713 120.600 121.300 0.021 0.000 2.364 340 W HA -0.155 4.507 4.660 0.004 0.000 0.281 340 W C 1.361 177.891 176.519 0.018 0.000 1.219 340 W CA 1.163 58.522 57.345 0.023 0.000 1.220 340 W CB -0.989 28.463 29.460 -0.013 0.000 1.127 340 W HN 0.287 nan 8.180 nan 0.000 0.556 341 M N 1.635 120.671 119.600 -0.941 0.000 2.562 341 M HA -0.019 4.463 4.480 0.004 0.000 0.257 341 M C 1.029 177.131 176.300 -0.331 0.000 1.099 341 M CA 1.293 56.048 55.300 -0.909 0.000 1.099 341 M CB -0.617 31.317 32.600 -1.110 0.000 1.427 341 M HN -0.111 nan 8.290 nan 0.000 0.489 342 T N -2.354 112.097 114.554 -0.171 0.000 2.913 342 T HA 0.102 4.454 4.350 0.004 0.000 0.297 342 T C 0.512 175.262 174.700 0.084 0.000 1.029 342 T CA -0.692 61.386 62.100 -0.037 0.000 1.104 342 T CB 1.276 70.137 68.868 -0.012 0.000 0.964 342 T HN 0.021 nan 8.240 nan 0.000 0.532 343 D N 1.399 121.882 120.400 0.138 0.000 2.178 343 D HA -0.042 4.600 4.640 0.004 0.000 0.201 343 D C 1.899 178.351 176.300 0.253 0.000 0.980 343 D CA 1.072 55.231 54.000 0.266 0.000 0.842 343 D CB -0.087 40.880 40.800 0.279 0.000 0.948 343 D HN 0.757 nan 8.370 nan 0.000 0.472 344 E N 0.393 120.682 120.200 0.149 0.000 2.085 344 E HA -0.194 4.159 4.350 0.004 0.000 0.194 344 E C 1.895 178.561 176.600 0.110 0.000 0.994 344 E CA 1.147 57.613 56.400 0.109 0.000 0.801 344 E CB -0.064 29.677 29.700 0.068 0.000 0.743 344 E HN 0.173 nan 8.360 nan 0.000 0.453 345 E N -0.209 120.069 120.200 0.130 0.000 2.076 345 E HA -0.111 4.241 4.350 0.004 0.000 0.190 345 E C 1.631 178.322 176.600 0.151 0.000 0.979 345 E CA 0.518 56.996 56.400 0.130 0.000 0.807 345 E CB -0.344 29.448 29.700 0.153 0.000 0.761 345 E HN 0.250 nan 8.360 nan 0.000 0.454 346 F N 1.089 121.069 119.950 0.050 0.000 2.043 346 F HA -0.275 4.254 4.527 0.004 0.000 0.297 346 F C 2.034 177.840 175.800 0.009 0.000 1.118 346 F CA 2.390 60.412 58.000 0.037 0.000 1.202 346 F CB -0.941 38.089 39.000 0.049 0.000 0.965 346 F HN 0.101 nan 8.300 nan 0.000 0.482 347 A N 0.374 123.164 122.820 -0.050 0.000 1.873 347 A HA -0.178 4.145 4.320 0.004 0.000 0.215 347 A C 2.424 179.899 177.584 -0.181 0.000 1.186 347 A CA 1.586 53.513 52.037 -0.184 0.000 0.616 347 A CB -0.952 18.030 19.000 -0.030 0.000 0.823 347 A HN 0.490 nan 8.150 nan 0.000 0.442 348 R N -0.011 120.435 120.500 -0.091 0.000 2.117 348 R HA -0.182 4.160 4.340 0.004 0.000 0.243 348 R C 1.744 177.956 176.300 -0.147 0.000 1.143 348 R CA 1.839 57.878 56.100 -0.103 0.000 0.968 348 R CB -0.269 30.019 30.300 -0.019 0.000 0.863 348 R HN 0.680 nan 8.270 nan 0.000 0.444 349 E N -0.240 119.861 120.200 -0.165 0.000 2.472 349 E HA -0.144 4.208 4.350 0.004 0.000 0.200 349 E C 1.721 178.162 176.600 -0.266 0.000 1.046 349 E CA 0.721 56.968 56.400 -0.255 0.000 0.871 349 E CB 0.034 29.549 29.700 -0.309 0.000 0.806 349 E HN 0.467 nan 8.360 nan 0.000 0.533 350 M N 0.101 119.537 119.600 -0.274 0.000 2.476 350 M HA -0.023 4.460 4.480 0.004 0.000 0.262 350 M C 2.097 178.242 176.300 -0.258 0.000 1.079 350 M CA 1.116 56.259 55.300 -0.262 0.000 1.104 350 M CB -0.005 32.413 32.600 -0.303 0.000 1.409 350 M HN 0.209 nan 8.290 nan 0.000 0.467 351 I N -4.764 115.634 120.570 -0.287 0.000 4.227 351 I HA 0.439 4.612 4.170 0.004 0.000 0.334 351 I C 1.074 177.135 176.117 -0.094 0.000 1.341 351 I CA -0.064 61.053 61.300 -0.305 0.000 1.123 351 I CB 0.400 37.994 38.000 -0.676 0.000 1.097 351 I HN -0.019 nan 8.210 nan 0.000 0.399 352 A N 1.121 123.851 122.820 -0.150 0.000 2.538 352 A HA 0.725 5.047 4.320 0.004 0.000 0.276 352 A C 0.659 178.268 177.584 0.040 0.000 0.908 352 A CA 0.120 52.042 52.037 -0.192 0.000 1.042 352 A CB -0.434 18.442 19.000 -0.207 0.000 1.218 352 A HN 0.396 nan 8.150 nan 0.000 0.517 353 G N -1.149 107.558 108.800 -0.156 0.000 2.736 353 G HA2 0.409 4.371 3.960 0.004 0.000 0.229 353 G HA3 0.409 4.371 3.960 0.004 0.000 0.229 353 G C 0.995 175.766 174.900 -0.216 0.000 1.380 353 G CA 0.491 45.281 45.100 -0.517 0.000 1.040 353 G HN 0.482 nan 8.290 nan 0.000 0.568 354 V N -0.198 119.515 119.914 -0.334 0.000 2.626 354 V HA 0.006 4.128 4.120 0.004 0.000 0.252 354 V C 0.860 176.838 176.094 -0.193 0.000 1.067 354 V CA 2.016 64.224 62.300 -0.153 0.000 1.081 354 V CB -0.327 31.334 31.823 -0.269 0.000 0.686 354 V HN 0.548 nan 8.190 nan 0.000 0.468 355 N N 0.080 118.676 118.700 -0.174 0.000 2.765 355 N HA 0.338 5.080 4.740 0.004 0.000 0.277 355 N C -2.183 173.303 175.510 -0.040 0.000 1.750 355 N CA -1.408 51.639 53.050 -0.006 0.000 0.827 355 N CB 1.405 39.947 38.487 0.093 0.000 1.200 355 N HN 0.274 nan 8.380 nan 0.000 0.494 356 P HA 0.192 nan 4.420 nan 0.000 0.261 356 P C -0.008 177.275 177.300 -0.029 0.000 1.352 356 P CA -0.015 63.021 63.100 -0.106 0.000 0.891 356 P CB -0.386 31.227 31.700 -0.144 0.000 1.383 357 C N -2.945 116.334 119.300 -0.036 0.000 2.859 357 C HA 0.510 4.972 4.460 0.004 0.000 0.256 357 C C 1.350 176.407 174.990 0.112 0.000 1.660 357 C CA -0.482 58.578 59.018 0.069 0.000 1.755 357 C CB -1.114 26.625 27.740 -0.002 0.000 3.127 357 C HN 0.014 nan 8.230 nan 0.000 0.494 358 V N 0.488 120.441 119.914 0.065 0.000 3.359 358 V HA 0.232 4.354 4.120 0.004 0.000 0.245 358 V C 1.165 177.220 176.094 -0.065 0.000 1.247 358 V CA 0.192 62.492 62.300 -0.001 0.000 1.145 358 V CB -0.043 31.753 31.823 -0.044 0.000 0.906 358 V HN 0.660 nan 8.190 nan 0.000 0.464 359 I N 1.896 122.432 120.570 -0.057 0.000 2.880 359 I HA 0.010 4.182 4.170 0.004 0.000 0.296 359 I C 0.438 176.570 176.117 0.025 0.000 1.220 359 I CA 0.766 62.029 61.300 -0.061 0.000 1.435 359 I CB 0.206 38.123 38.000 -0.138 0.000 1.339 359 I HN 0.226 nan 8.210 nan 0.000 0.583 360 R N 4.571 125.107 120.500 0.061 0.000 2.807 360 R HA 0.465 4.807 4.340 0.004 0.000 0.276 360 R C -0.326 176.084 176.300 0.184 0.000 0.979 360 R CA -0.779 55.381 56.100 0.100 0.000 0.928 360 R CB 1.785 32.091 30.300 0.010 0.000 1.191 360 R HN 0.815 nan 8.270 nan 0.000 0.471 361 G N 1.240 110.120 108.800 0.134 0.000 2.491 361 G HA2 0.271 4.234 3.960 0.004 0.000 0.238 361 G HA3 0.271 4.234 3.960 0.004 0.000 0.238 361 G C -1.024 173.770 174.900 -0.177 0.000 1.277 361 G CA -0.183 44.808 45.100 -0.181 0.000 0.851 361 G HN 0.266 nan 8.290 nan 0.000 0.573 362 L N 0.763 121.819 121.223 -0.277 0.000 2.342 362 L HA 0.462 4.804 4.340 0.004 0.000 0.276 362 L C 0.627 177.425 176.870 -0.119 0.000 0.997 362 L CA -0.285 54.480 54.840 -0.125 0.000 0.838 362 L CB 1.468 43.505 42.059 -0.037 0.000 1.224 362 L HN 0.720 nan 8.230 nan 0.000 0.416 363 E N 3.252 123.408 120.200 -0.073 0.000 2.498 363 E HA 0.104 4.456 4.350 0.004 0.000 0.203 363 E C -0.481 176.114 176.600 -0.008 0.000 1.013 363 E CA 0.099 56.467 56.400 -0.053 0.000 0.927 363 E CB 0.869 30.537 29.700 -0.055 0.000 1.012 363 E HN 0.778 nan 8.360 nan 0.000 0.482 364 E N -0.268 119.940 120.200 0.012 0.000 2.410 364 E HA 0.517 4.869 4.350 0.004 0.000 0.269 364 E C -1.219 175.450 176.600 0.116 0.000 0.937 364 E CA -0.906 55.521 56.400 0.045 0.000 0.793 364 E CB 1.758 31.459 29.700 0.002 0.000 1.314 364 E HN -0.147 nan 8.360 nan 0.000 0.447 365 F N 1.336 121.270 119.950 -0.027 0.000 2.578 365 F HA 0.454 4.984 4.527 0.004 0.000 0.311 365 F C -2.348 173.441 175.800 -0.019 0.000 1.094 365 F CA -1.777 56.209 58.000 -0.023 0.000 0.923 365 F CB 1.712 40.702 39.000 -0.016 0.000 1.230 365 F HN 0.442 nan 8.300 nan 0.000 0.450 366 P HA 0.313 nan 4.420 nan 0.000 0.273 366 P C -2.902 174.007 177.300 -0.652 0.000 1.250 366 P CA -1.139 61.206 63.100 -1.258 0.000 0.793 366 P CB -0.080 31.171 31.700 -0.749 0.000 1.011 367 P HA 0.268 nan 4.420 nan 0.000 0.274 367 P C -0.442 176.701 177.300 -0.261 0.000 1.231 367 P CA -0.040 62.877 63.100 -0.306 0.000 0.790 367 P CB 0.717 32.280 31.700 -0.228 0.000 0.951 368 K N 0.460 120.748 120.400 -0.186 0.000 2.166 368 K HA 0.596 4.918 4.320 0.004 0.000 0.245 368 K C -0.029 176.481 176.600 -0.149 0.000 0.967 368 K CA -0.692 55.504 56.287 -0.152 0.000 0.863 368 K CB 1.378 33.820 32.500 -0.097 0.000 1.107 368 K HN 0.320 nan 8.250 nan 0.000 0.436 369 S N 0.462 116.090 115.700 -0.120 0.000 2.532 369 S HA 0.282 4.755 4.470 0.004 0.000 0.301 369 S C -0.077 174.529 174.600 0.011 0.000 1.083 369 S CA -0.766 57.402 58.200 -0.053 0.000 1.025 369 S CB 0.724 63.909 63.200 -0.025 0.000 1.056 369 S HN 0.549 nan 8.310 nan 0.000 0.494 370 N N 2.543 121.267 118.700 0.041 0.000 2.336 370 N HA 0.247 4.989 4.740 0.004 0.000 0.189 370 N C -0.231 175.326 175.510 0.079 0.000 1.113 370 N CA 0.185 53.265 53.050 0.050 0.000 0.858 370 N CB -0.144 38.371 38.487 0.047 0.000 0.970 370 N HN 0.527 nan 8.380 nan 0.000 0.471 371 L N 0.184 121.469 121.223 0.104 0.000 2.421 371 L HA 0.227 4.569 4.340 0.004 0.000 0.263 371 L C 0.535 177.526 176.870 0.201 0.000 1.122 371 L CA -0.834 54.094 54.840 0.147 0.000 0.804 371 L CB 0.665 42.765 42.059 0.067 0.000 1.150 371 L HN -0.117 nan 8.230 nan 0.000 0.457 372 D N 3.118 123.682 120.400 0.272 0.000 2.346 372 D HA 0.074 4.717 4.640 0.004 0.000 0.260 372 D C -1.551 174.858 176.300 0.182 0.000 1.252 372 D CA -1.790 52.317 54.000 0.177 0.000 0.895 372 D CB 1.274 42.131 40.800 0.095 0.000 1.097 372 D HN 0.196 nan 8.370 nan 0.000 0.489 373 P HA -0.089 nan 4.420 nan 0.000 0.225 373 P C 0.883 178.220 177.300 0.062 0.000 1.148 373 P CA 0.588 63.759 63.100 0.118 0.000 0.779 373 P CB 0.215 31.967 31.700 0.086 0.000 0.780 374 A N -0.439 122.394 122.820 0.021 0.000 2.014 374 A HA -0.067 4.255 4.320 0.004 0.000 0.218 374 A C 2.206 179.743 177.584 -0.077 0.000 1.163 374 A CA 1.014 53.039 52.037 -0.019 0.000 0.652 374 A CB -1.190 17.797 19.000 -0.022 0.000 0.808 374 A HN 0.152 nan 8.150 nan 0.000 0.449 375 I N -2.867 117.604 120.570 -0.164 0.000 2.494 375 I HA -0.075 4.098 4.170 0.004 0.000 0.250 375 I C 1.623 177.479 176.117 -0.434 0.000 1.112 375 I CA 0.950 62.010 61.300 -0.400 0.000 1.438 375 I CB -0.042 37.501 38.000 -0.761 0.000 1.111 375 I HN 0.342 nan 8.210 nan 0.000 0.431 376 Y N 0.998 121.308 120.300 0.017 0.000 2.444 376 Y HA 0.459 5.011 4.550 0.004 0.000 0.249 376 Y C 1.217 177.152 175.900 0.059 0.000 1.134 376 Y CA 0.067 58.178 58.100 0.018 0.000 1.261 376 Y CB 0.002 38.470 38.460 0.013 0.000 1.143 376 Y HN 0.174 nan 8.280 nan 0.000 0.523 377 G N 0.710 109.611 108.800 0.169 0.000 2.756 377 G HA2 -0.241 3.721 3.960 0.004 0.000 0.678 377 G HA3 -0.241 3.721 3.960 0.004 0.000 0.678 377 G C -1.000 173.997 174.900 0.161 0.000 1.349 377 G CA -0.640 44.555 45.100 0.159 0.000 0.847 377 G HN 0.168 nan 8.290 nan 0.000 0.548 378 D N 0.039 120.514 120.400 0.125 0.000 2.531 378 D HA 0.171 4.814 4.640 0.004 0.000 0.239 378 D C 1.374 177.750 176.300 0.128 0.000 1.144 378 D CA 0.317 54.378 54.000 0.101 0.000 0.869 378 D CB 0.677 41.521 40.800 0.073 0.000 1.160 378 D HN 0.353 nan 8.370 nan 0.000 0.484 379 Q N 1.824 121.690 119.800 0.110 0.000 2.247 379 Q HA 0.108 4.450 4.340 0.004 0.000 0.204 379 Q C -0.006 176.006 176.000 0.020 0.000 0.872 379 Q CA -0.086 55.788 55.803 0.119 0.000 0.951 379 Q CB 0.226 29.049 28.738 0.141 0.000 1.099 379 Q HN 0.333 nan 8.270 nan 0.000 0.501 380 S N 1.034 116.742 115.700 0.014 0.000 2.549 380 S HA 0.058 4.530 4.470 0.004 0.000 0.286 380 S C 0.335 174.907 174.600 -0.046 0.000 1.314 380 S CA 0.032 58.213 58.200 -0.032 0.000 1.062 380 S CB 0.851 64.044 63.200 -0.012 0.000 0.865 380 S HN 0.193 nan 8.310 nan 0.000 0.498 381 S N 1.606 117.241 115.700 -0.109 0.000 2.562 381 S HA 0.074 4.546 4.470 0.004 0.000 0.281 381 S C 0.974 175.548 174.600 -0.045 0.000 1.333 381 S CA -0.487 57.650 58.200 -0.106 0.000 1.052 381 S CB 0.459 63.535 63.200 -0.205 0.000 0.884 381 S HN 0.563 nan 8.310 nan 0.000 0.506 382 K N 3.572 123.974 120.400 0.003 0.000 2.374 382 K HA 0.298 4.620 4.320 0.004 0.000 0.196 382 K C 0.228 176.861 176.600 0.055 0.000 1.023 382 K CA -0.060 56.246 56.287 0.031 0.000 1.103 382 K CB -0.456 32.073 32.500 0.048 0.000 0.848 382 K HN 0.698 nan 8.250 nan 0.000 0.528 383 I N 2.780 123.388 120.570 0.063 0.000 2.452 383 I HA 0.061 4.233 4.170 0.004 0.000 0.287 383 I C 0.875 177.129 176.117 0.228 0.000 1.079 383 I CA -0.069 61.323 61.300 0.153 0.000 1.387 383 I CB 0.835 38.975 38.000 0.233 0.000 1.404 383 I HN 0.154 nan 8.210 nan 0.000 0.522 384 T N 2.573 117.244 114.554 0.195 0.000 2.875 384 T HA 0.521 4.873 4.350 0.004 0.000 0.284 384 T C 0.993 175.788 174.700 0.159 0.000 0.995 384 T CA -0.426 61.793 62.100 0.199 0.000 1.060 384 T CB 2.008 70.934 68.868 0.097 0.000 0.967 384 T HN 0.631 nan 8.240 nan 0.000 0.476 385 A N 2.117 125.007 122.820 0.117 0.000 1.902 385 A HA -0.056 4.266 4.320 0.004 0.000 0.217 385 A C 1.954 179.460 177.584 -0.130 0.000 1.181 385 A CA 1.550 53.481 52.037 -0.176 0.000 0.623 385 A CB -0.923 17.980 19.000 -0.162 0.000 0.818 385 A HN 0.876 nan 8.150 nan 0.000 0.443 386 D N -0.205 120.163 120.400 -0.052 0.000 2.264 386 D HA -0.091 4.552 4.640 0.004 0.000 0.208 386 D C 2.252 178.517 176.300 -0.058 0.000 0.966 386 D CA 1.427 55.395 54.000 -0.054 0.000 0.864 386 D CB -0.143 40.641 40.800 -0.026 0.000 0.933 386 D HN 0.593 nan 8.370 nan 0.000 0.499 387 S N -0.649 115.025 115.700 -0.043 0.000 2.522 387 S HA 0.018 4.490 4.470 0.004 0.000 0.227 387 S C 0.903 175.459 174.600 -0.073 0.000 0.986 387 S CA -0.122 58.052 58.200 -0.043 0.000 0.929 387 S CB -0.157 63.037 63.200 -0.010 0.000 0.769 387 S HN 0.092 nan 8.310 nan 0.000 0.529 388 L N 2.035 123.194 121.223 -0.107 0.000 2.334 388 L HA 0.480 4.822 4.340 0.004 0.000 0.277 388 L C -0.212 176.560 176.870 -0.163 0.000 1.075 388 L CA -0.694 54.065 54.840 -0.135 0.000 0.804 388 L CB 0.799 42.751 42.059 -0.178 0.000 1.174 388 L HN 0.075 nan 8.230 nan 0.000 0.438 389 D N 3.809 124.111 120.400 -0.164 0.000 2.428 389 D HA 0.222 4.865 4.640 0.004 0.000 0.221 389 D C 0.021 176.155 176.300 -0.278 0.000 1.123 389 D CA -0.169 53.722 54.000 -0.180 0.000 0.869 389 D CB 0.877 41.595 40.800 -0.138 0.000 1.032 389 D HN 0.387 nan 8.370 nan 0.000 0.506 390 L N 2.985 123.957 121.223 -0.419 0.000 2.978 390 L HA 0.179 4.521 4.340 0.004 0.000 0.239 390 L C 0.039 176.481 176.870 -0.712 0.000 1.293 390 L CA -0.400 53.870 54.840 -0.950 0.000 1.085 390 L CB -0.191 41.315 42.059 -0.921 0.000 1.432 390 L HN 0.226 nan 8.230 nan 0.000 0.512 391 D N 1.578 121.810 120.400 -0.279 0.000 2.751 391 D HA -0.212 4.430 4.640 0.004 0.000 0.233 391 D C 1.351 177.701 176.300 0.082 0.000 1.149 391 D CA 1.352 55.344 54.000 -0.015 0.000 0.682 391 D CB -1.029 39.869 40.800 0.163 0.000 1.068 391 D HN 0.763 nan 8.370 nan 0.000 0.429 392 G N -1.874 106.921 108.800 -0.009 0.000 2.195 392 G HA2 -0.375 3.587 3.960 0.004 0.000 0.246 392 G HA3 -0.375 3.587 3.960 0.004 0.000 0.246 392 G C 0.219 175.090 174.900 -0.050 0.000 0.984 392 G CA 0.173 45.258 45.100 -0.026 0.000 0.633 392 G HN 0.419 nan 8.290 nan 0.000 0.525 393 Y N 2.393 122.601 120.300 -0.153 0.000 2.397 393 Y HA 0.459 5.010 4.550 0.002 0.000 0.335 393 Y C 1.703 177.514 175.900 -0.147 0.000 1.213 393 Y CA 0.513 58.542 58.100 -0.118 0.000 1.391 393 Y CB 0.750 39.145 38.460 -0.109 0.000 1.293 393 Y HN 0.309 nan 8.280 nan 0.000 0.557 394 T N -0.505 114.062 114.554 0.020 0.000 2.816 394 T HA 0.151 4.504 4.350 0.004 0.000 0.282 394 T C 1.119 175.814 174.700 -0.008 0.000 0.993 394 T CA -0.812 61.276 62.100 -0.021 0.000 0.994 394 T CB 0.774 69.626 68.868 -0.028 0.000 1.025 394 T HN 0.729 nan 8.240 nan 0.000 0.529 395 M N 0.913 120.471 119.600 -0.069 0.000 2.067 395 M HA -0.045 4.437 4.480 0.004 0.000 0.260 395 M C 1.532 177.820 176.300 -0.020 0.000 1.069 395 M CA 1.786 57.026 55.300 -0.101 0.000 1.117 395 M CB -1.377 31.114 32.600 -0.181 0.000 1.334 395 M HN 0.729 nan 8.290 nan 0.000 0.407 396 D N 0.248 120.648 120.400 -0.000 0.000 2.149 396 D HA -0.203 4.439 4.640 0.004 0.000 0.194 396 D C 1.969 178.300 176.300 0.051 0.000 1.001 396 D CA 1.774 55.788 54.000 0.023 0.000 0.849 396 D CB -0.293 40.516 40.800 0.015 0.000 0.939 396 D HN 0.596 nan 8.370 nan 0.000 0.449 397 E N 0.197 120.446 120.200 0.082 0.000 2.072 397 E HA -0.086 4.267 4.350 0.004 0.000 0.191 397 E C 2.125 178.876 176.600 0.251 0.000 0.985 397 E CA 0.959 57.457 56.400 0.164 0.000 0.801 397 E CB -0.041 29.770 29.700 0.183 0.000 0.750 397 E HN 0.216 nan 8.360 nan 0.000 0.452 398 A N 1.188 124.152 122.820 0.239 0.000 1.858 398 A HA -0.178 4.144 4.320 0.004 0.000 0.216 398 A C 2.204 179.831 177.584 0.073 0.000 1.190 398 A CA 1.129 53.276 52.037 0.183 0.000 0.617 398 A CB -0.781 18.311 19.000 0.153 0.000 0.827 398 A HN 0.132 nan 8.150 nan 0.000 0.443 399 L N -0.712 120.534 121.223 0.037 0.000 1.989 399 L HA -0.181 4.162 4.340 0.004 0.000 0.211 399 L C 2.849 179.715 176.870 -0.006 0.000 1.071 399 L CA 1.372 56.211 54.840 -0.002 0.000 0.749 399 L CB -0.885 41.183 42.059 0.015 0.000 0.890 399 L HN 0.514 nan 8.230 nan 0.000 0.431 400 G N -0.686 108.130 108.800 0.026 0.000 2.422 400 G HA2 -0.232 3.730 3.960 0.004 0.000 0.218 400 G HA3 -0.232 3.730 3.960 0.004 0.000 0.218 400 G C 1.607 176.524 174.900 0.030 0.000 1.140 400 G CA 0.854 45.969 45.100 0.025 0.000 0.775 400 G HN 0.511 nan 8.290 nan 0.000 0.545 401 S N 0.007 115.742 115.700 0.057 0.000 2.607 401 S HA 0.120 4.593 4.470 0.004 0.000 0.224 401 S C 1.036 175.640 174.600 0.007 0.000 0.969 401 S CA 0.083 58.318 58.200 0.060 0.000 0.927 401 S CB 0.056 63.337 63.200 0.136 0.000 0.772 401 S HN 0.273 nan 8.310 nan 0.000 0.533 402 R N 0.594 121.070 120.500 -0.040 0.000 3.333 402 R HA -0.140 4.203 4.340 0.004 0.000 0.256 402 R C -0.037 176.184 176.300 -0.132 0.000 1.010 402 R CA 0.612 56.641 56.100 -0.119 0.000 0.680 402 R CB -2.499 27.767 30.300 -0.056 0.000 1.102 402 R HN 0.636 nan 8.270 nan 0.000 0.440 403 R N -0.463 119.951 120.500 -0.143 0.000 2.437 403 R HA 0.220 4.562 4.340 0.004 0.000 0.257 403 R C 0.298 176.526 176.300 -0.120 0.000 0.927 403 R CA -0.344 55.673 56.100 -0.137 0.000 1.078 403 R CB 0.493 30.593 30.300 -0.334 0.000 1.161 403 R HN -0.048 nan 8.270 nan 0.000 0.529 404 L N 0.988 122.033 121.223 -0.297 0.000 2.307 404 L HA 0.477 4.819 4.340 0.004 0.000 0.284 404 L C -1.033 175.473 176.870 -0.608 0.000 1.023 404 L CA -0.250 54.469 54.840 -0.200 0.000 0.810 404 L CB 0.812 42.840 42.059 -0.051 0.000 1.231 404 L HN -0.184 nan 8.230 nan 0.000 0.423 405 F N 4.110 124.065 119.950 0.009 0.000 2.664 405 F HA 0.735 5.264 4.527 0.002 0.000 0.329 405 F C -0.124 175.678 175.800 0.003 0.000 1.090 405 F CA -0.747 57.241 58.000 -0.020 0.000 0.978 405 F CB 1.849 40.803 39.000 -0.075 0.000 1.378 405 F HN 0.314 nan 8.300 nan 0.000 0.495 406 M N 1.900 121.597 119.600 0.161 0.000 2.414 406 M HA 0.484 4.966 4.480 0.004 0.000 0.287 406 M C -2.337 173.957 176.300 -0.010 0.000 1.181 406 M CA -0.861 54.481 55.300 0.071 0.000 0.933 406 M CB 2.083 34.707 32.600 0.039 0.000 1.732 406 M HN 0.583 nan 8.290 nan 0.000 0.486 407 L N 4.322 125.515 121.223 -0.050 0.000 2.287 407 L HA 0.456 4.798 4.340 0.004 0.000 0.280 407 L C -1.138 175.590 176.870 -0.237 0.000 1.055 407 L CA 0.297 55.035 54.840 -0.172 0.000 0.863 407 L CB 0.562 42.542 42.059 -0.131 0.000 1.245 407 L HN 0.576 nan 8.230 nan 0.000 0.432 408 D N 3.252 123.448 120.400 -0.341 0.000 2.467 408 D HA 0.151 4.794 4.640 0.004 0.000 0.220 408 D C -0.352 175.753 176.300 -0.326 0.000 1.103 408 D CA -0.029 53.831 54.000 -0.233 0.000 0.886 408 D CB 0.402 41.127 40.800 -0.126 0.000 1.025 408 D HN 0.412 nan 8.370 nan 0.000 0.514 409 Y N 1.986 122.332 120.300 0.076 0.000 2.607 409 Y HA 0.083 4.636 4.550 0.004 0.000 0.266 409 Y C 1.905 177.937 175.900 0.221 0.000 1.178 409 Y CA -0.346 57.844 58.100 0.150 0.000 1.226 409 Y CB -0.141 38.397 38.460 0.129 0.000 1.144 409 Y HN 0.597 nan 8.280 nan 0.000 0.528 410 H N 0.639 119.810 119.070 0.167 0.000 2.276 410 H HA -0.130 4.428 4.556 0.004 0.000 0.301 410 H C 0.754 176.143 175.328 0.101 0.000 1.073 410 H CA 2.292 58.412 56.048 0.119 0.000 1.311 410 H CB 0.138 29.929 29.762 0.048 0.000 1.379 410 H HN 0.237 nan 8.280 nan 0.000 0.494 411 D N 0.260 120.824 120.400 0.274 0.000 2.224 411 D HA -0.031 4.611 4.640 0.004 0.000 0.205 411 D C 2.518 178.881 176.300 0.104 0.000 0.965 411 D CA 0.522 54.609 54.000 0.146 0.000 0.852 411 D CB -0.087 40.805 40.800 0.152 0.000 0.947 411 D HN 0.431 nan 8.370 nan 0.000 0.494 412 I N -0.513 120.172 120.570 0.192 0.000 2.202 412 I HA -0.239 3.933 4.170 0.004 0.000 0.242 412 I C 1.676 177.862 176.117 0.115 0.000 1.091 412 I CA 0.964 62.385 61.300 0.203 0.000 1.368 412 I CB -0.060 38.146 38.000 0.344 0.000 1.058 412 I HN -0.073 nan 8.210 nan 0.000 0.410 413 F N -0.656 119.363 119.950 0.116 0.000 2.446 413 F HA -0.041 4.488 4.527 0.004 0.000 0.292 413 F C 2.308 178.114 175.800 0.010 0.000 1.096 413 F CA 0.567 58.622 58.000 0.092 0.000 1.438 413 F CB -0.256 38.791 39.000 0.078 0.000 1.107 413 F HN -0.024 nan 8.300 nan 0.000 0.546 414 M N 1.542 121.138 119.600 -0.006 0.000 2.106 414 M HA -0.125 4.357 4.480 0.004 0.000 0.259 414 M C -1.165 175.006 176.300 -0.215 0.000 1.068 414 M CA 2.199 57.358 55.300 -0.234 0.000 1.100 414 M CB -1.657 30.596 32.600 -0.579 0.000 1.351 414 M HN -0.195 nan 8.290 nan 0.000 0.404 415 P HA -0.102 nan 4.420 nan 0.000 0.228 415 P C 0.346 177.558 177.300 -0.146 0.000 1.151 415 P CA 1.380 64.436 63.100 -0.072 0.000 0.770 415 P CB -0.268 31.406 31.700 -0.043 0.000 0.786 416 Y N -2.451 117.816 120.300 -0.054 0.000 2.467 416 Y HA 0.070 4.622 4.550 0.004 0.000 0.250 416 Y C 2.102 177.968 175.900 -0.057 0.000 1.155 416 Y CA -0.020 58.026 58.100 -0.091 0.000 1.249 416 Y CB -0.162 38.226 38.460 -0.120 0.000 1.146 416 Y HN -0.294 nan 8.280 nan 0.000 0.524 417 V N 0.347 120.323 119.914 0.102 0.000 2.343 417 V HA -0.315 3.808 4.120 0.004 0.000 0.247 417 V C 2.509 178.608 176.094 0.008 0.000 1.051 417 V CA 2.242 64.582 62.300 0.066 0.000 1.036 417 V CB -0.404 31.429 31.823 0.017 0.000 0.654 417 V HN 0.334 nan 8.190 nan 0.000 0.451 418 R N 0.402 120.894 120.500 -0.012 0.000 2.073 418 R HA -0.224 4.118 4.340 0.004 0.000 0.234 418 R C 2.506 178.783 176.300 -0.038 0.000 1.134 418 R CA 2.044 58.128 56.100 -0.027 0.000 0.952 418 R CB -0.272 30.014 30.300 -0.023 0.000 0.850 418 R HN 0.789 nan 8.270 nan 0.000 0.433 419 Q N -0.125 119.616 119.800 -0.098 0.000 2.119 419 Q HA -0.146 4.197 4.340 0.004 0.000 0.201 419 Q C 2.102 178.087 176.000 -0.024 0.000 0.972 419 Q CA 1.403 57.111 55.803 -0.158 0.000 0.847 419 Q CB -0.291 28.146 28.738 -0.502 0.000 0.903 419 Q HN 0.429 nan 8.270 nan 0.000 0.433 420 I N 1.873 122.453 120.570 0.017 0.000 2.202 420 I HA -0.226 3.946 4.170 0.004 0.000 0.242 420 I C 1.514 177.694 176.117 0.106 0.000 1.091 420 I CA 1.020 62.409 61.300 0.150 0.000 1.368 420 I CB -0.293 37.806 38.000 0.166 0.000 1.058 420 I HN 0.202 nan 8.210 nan 0.000 0.410 421 N N 0.507 119.233 118.700 0.044 0.000 2.520 421 N HA -0.130 4.612 4.740 0.004 0.000 0.185 421 N C 1.590 177.116 175.510 0.026 0.000 1.068 421 N CA 0.675 53.733 53.050 0.013 0.000 0.911 421 N CB -0.163 38.301 38.487 -0.038 0.000 0.961 421 N HN 0.388 nan 8.380 nan 0.000 0.446 422 Q N 0.071 119.899 119.800 0.047 0.000 2.435 422 Q HA 0.079 4.421 4.340 0.004 0.000 0.207 422 Q C 0.404 176.446 176.000 0.070 0.000 0.956 422 Q CA 0.219 56.054 55.803 0.053 0.000 0.917 422 Q CB 0.197 28.972 28.738 0.062 0.000 0.997 422 Q HN 0.433 nan 8.270 nan 0.000 0.497 423 L N 1.340 122.618 121.223 0.092 0.000 2.452 423 L HA 0.031 4.373 4.340 0.004 0.000 0.267 423 L C 1.553 178.450 176.870 0.045 0.000 1.188 423 L CA -0.547 54.341 54.840 0.080 0.000 0.821 423 L CB 0.211 42.331 42.059 0.100 0.000 1.102 423 L HN -0.036 nan 8.230 nan 0.000 0.470 424 N N 0.149 118.867 118.700 0.029 0.000 2.043 424 N HA -0.157 4.585 4.740 0.004 0.000 0.193 424 N C 1.081 176.598 175.510 0.011 0.000 1.037 424 N CA 1.387 54.447 53.050 0.016 0.000 0.851 424 N CB -0.014 38.478 38.487 0.007 0.000 1.027 424 N HN 0.500 nan 8.380 nan 0.000 0.422 425 S N -0.660 115.044 115.700 0.007 0.000 2.581 425 S HA 0.624 5.096 4.470 0.004 0.000 0.245 425 S C -0.847 173.755 174.600 0.004 0.000 1.115 425 S CA -0.567 57.632 58.200 -0.002 0.000 1.093 425 S CB -0.298 62.890 63.200 -0.019 0.000 0.853 425 S HN 0.382 nan 8.310 nan 0.000 0.479 426 A N 1.902 124.734 122.820 0.020 0.000 2.398 426 A HA 0.835 5.157 4.320 0.004 0.000 0.301 426 A C -1.056 176.543 177.584 0.025 0.000 1.041 426 A CA -0.676 51.380 52.037 0.032 0.000 0.711 426 A CB 1.175 20.212 19.000 0.062 0.000 1.240 426 A HN 0.195 nan 8.150 nan 0.000 0.420 427 K N 1.170 121.581 120.400 0.019 0.000 2.553 427 K HA 0.666 4.988 4.320 0.004 0.000 0.250 427 K C -1.107 175.477 176.600 -0.027 0.000 0.953 427 K CA -0.314 55.956 56.287 -0.028 0.000 0.800 427 K CB 2.002 34.475 32.500 -0.045 0.000 1.243 427 K HN 0.758 nan 8.250 nan 0.000 0.435 428 T N 1.027 115.511 114.554 -0.116 0.000 2.865 428 T HA 0.724 5.076 4.350 0.004 0.000 0.294 428 T C -1.281 173.197 174.700 -0.370 0.000 1.119 428 T CA -0.416 61.620 62.100 -0.106 0.000 1.007 428 T CB 0.738 69.622 68.868 0.027 0.000 1.225 428 T HN 0.327 nan 8.240 nan 0.000 0.515 429 Y N 0.173 120.393 120.300 -0.133 0.000 2.602 429 Y HA 0.703 5.255 4.550 0.004 0.000 0.330 429 Y C 0.536 176.379 175.900 -0.095 0.000 1.114 429 Y CA -1.130 56.888 58.100 -0.137 0.000 1.182 429 Y CB 1.439 39.780 38.460 -0.200 0.000 1.305 429 Y HN 0.738 nan 8.280 nan 0.000 0.502 430 A N 1.295 124.189 122.820 0.124 0.000 2.279 430 A HA 0.505 4.827 4.320 0.004 0.000 0.306 430 A C -0.069 177.587 177.584 0.119 0.000 1.300 430 A CA -0.445 51.647 52.037 0.092 0.000 0.925 430 A CB -0.726 18.257 19.000 -0.029 0.000 1.152 430 A HN 0.682 nan 8.150 nan 0.000 0.544 431 T N 0.759 115.385 114.554 0.119 0.000 2.902 431 T HA 0.690 5.043 4.350 0.004 0.000 0.283 431 T C -0.144 174.671 174.700 0.191 0.000 1.009 431 T CA -0.707 61.477 62.100 0.140 0.000 1.051 431 T CB 1.299 70.238 68.868 0.118 0.000 0.999 431 T HN 0.664 nan 8.240 nan 0.000 0.474 432 R N 0.912 121.504 120.500 0.154 0.000 2.670 432 R HA 0.603 4.945 4.340 0.004 0.000 0.289 432 R C -1.076 175.305 176.300 0.136 0.000 0.965 432 R CA -0.636 55.538 56.100 0.123 0.000 0.899 432 R CB 2.096 32.452 30.300 0.093 0.000 1.173 432 R HN 0.828 nan 8.270 nan 0.000 0.456 433 T N 4.348 118.980 114.554 0.129 0.000 2.824 433 T HA 0.440 4.792 4.350 0.004 0.000 0.282 433 T C -0.465 174.336 174.700 0.168 0.000 0.993 433 T CA -0.631 61.582 62.100 0.188 0.000 0.967 433 T CB 1.055 70.055 68.868 0.219 0.000 0.960 433 T HN 0.253 nan 8.240 nan 0.000 0.441 434 I N 4.172 124.871 120.570 0.216 0.000 2.353 434 I HA 0.470 4.642 4.170 0.004 0.000 0.293 434 I C -0.213 176.037 176.117 0.223 0.000 0.992 434 I CA -0.932 60.493 61.300 0.209 0.000 1.268 434 I CB 0.843 38.983 38.000 0.233 0.000 1.387 434 I HN 0.515 nan 8.210 nan 0.000 0.478 435 L N 6.078 127.427 121.223 0.210 0.000 2.341 435 L HA 0.547 4.889 4.340 0.004 0.000 0.267 435 L C -0.774 176.262 176.870 0.277 0.000 1.009 435 L CA -0.670 54.300 54.840 0.217 0.000 0.819 435 L CB 2.188 44.329 42.059 0.137 0.000 1.323 435 L HN 0.334 nan 8.230 nan 0.000 0.425 436 F N 2.433 122.433 119.950 0.084 0.000 2.493 436 F HA 0.549 5.078 4.527 0.003 0.000 0.329 436 F C -0.803 175.017 175.800 0.034 0.000 1.126 436 F CA -1.026 57.001 58.000 0.045 0.000 0.937 436 F CB 1.584 40.568 39.000 -0.027 0.000 1.146 436 F HN 0.259 nan 8.300 nan 0.000 0.442 437 L N 7.721 128.522 121.223 -0.704 0.000 2.363 437 L HA 0.385 4.727 4.340 0.004 0.000 0.286 437 L C 0.115 176.383 176.870 -1.003 0.000 1.106 437 L CA 0.188 54.656 54.840 -0.619 0.000 0.859 437 L CB -0.289 41.593 42.059 -0.295 0.000 1.223 437 L HN 0.611 nan 8.230 nan 0.000 0.446 438 R N 3.238 123.402 120.500 -0.561 0.000 2.774 438 R HA 0.073 4.415 4.340 0.004 0.000 0.269 438 R C 0.894 177.083 176.300 -0.185 0.000 1.068 438 R CA -0.297 55.642 56.100 -0.268 0.000 1.180 438 R CB 0.449 30.742 30.300 -0.012 0.000 1.077 438 R HN 0.608 nan 8.270 nan 0.000 0.513 439 E N 0.983 121.169 120.200 -0.023 0.000 2.204 439 E HA -0.188 4.164 4.350 0.004 0.000 0.195 439 E C 0.962 177.562 176.600 0.001 0.000 0.990 439 E CA 1.331 57.739 56.400 0.015 0.000 0.821 439 E CB -0.006 29.762 29.700 0.114 0.000 0.750 439 E HN 0.587 nan 8.360 nan 0.000 0.477 440 D N -0.569 119.832 120.400 0.003 0.000 2.378 440 D HA -0.038 4.604 4.640 0.004 0.000 0.227 440 D C 1.284 177.569 176.300 -0.024 0.000 1.012 440 D CA 0.901 54.901 54.000 0.000 0.000 0.905 440 D CB 0.131 40.938 40.800 0.013 0.000 0.895 440 D HN 0.220 nan 8.370 nan 0.000 0.532 441 G N -0.319 108.445 108.800 -0.060 0.000 2.176 441 G HA2 -0.242 3.721 3.960 0.004 0.000 0.232 441 G HA3 -0.242 3.721 3.960 0.004 0.000 0.232 441 G C 0.448 175.286 174.900 -0.104 0.000 0.986 441 G CA 0.446 45.499 45.100 -0.079 0.000 0.643 441 G HN 0.827 nan 8.290 nan 0.000 0.522 442 T N -0.562 113.938 114.554 -0.091 0.000 2.934 442 T HA 0.744 5.097 4.350 0.004 0.000 0.283 442 T C 0.398 175.024 174.700 -0.124 0.000 1.005 442 T CA -0.835 61.209 62.100 -0.093 0.000 1.041 442 T CB 2.111 70.955 68.868 -0.041 0.000 1.042 442 T HN 0.502 nan 8.240 nan 0.000 0.505 443 L N 2.160 123.304 121.223 -0.131 0.000 2.350 443 L HA 0.529 4.871 4.340 0.004 0.000 0.275 443 L C 0.466 177.333 176.870 -0.004 0.000 1.099 443 L CA -0.791 53.980 54.840 -0.115 0.000 0.808 443 L CB 0.945 42.901 42.059 -0.172 0.000 1.149 443 L HN 0.819 nan 8.230 nan 0.000 0.442 444 K N 3.076 123.517 120.400 0.068 0.000 2.371 444 K HA 0.637 4.959 4.320 0.004 0.000 0.251 444 K C -2.891 173.834 176.600 0.208 0.000 0.934 444 K CA -1.943 54.432 56.287 0.147 0.000 0.798 444 K CB 2.213 34.808 32.500 0.158 0.000 1.204 444 K HN 0.146 nan 8.250 nan 0.000 0.427 445 P HA 0.007 nan 4.420 nan 0.000 0.286 445 P C 0.399 177.880 177.300 0.302 0.000 1.269 445 P CA -0.589 62.749 63.100 0.397 0.000 0.787 445 P CB 1.488 33.609 31.700 0.702 0.000 0.920 446 V N -0.063 120.000 119.914 0.248 0.000 3.604 446 V HA 0.728 4.850 4.120 0.004 0.000 0.277 446 V C 0.329 176.477 176.094 0.091 0.000 1.399 446 V CA 0.217 62.571 62.300 0.090 0.000 1.034 446 V CB -0.173 31.676 31.823 0.042 0.000 0.824 446 V HN 0.679 nan 8.190 nan 0.000 0.439 447 A N -0.019 122.961 122.820 0.266 0.000 2.599 447 A HA 0.811 5.134 4.320 0.004 0.000 0.294 447 A C -1.560 176.257 177.584 0.389 0.000 1.055 447 A CA -0.421 51.795 52.037 0.298 0.000 0.683 447 A CB 1.306 20.422 19.000 0.194 0.000 1.278 447 A HN 0.276 nan 8.150 nan 0.000 0.412 448 I N 1.116 121.915 120.570 0.382 0.000 2.499 448 I HA 0.387 4.560 4.170 0.004 0.000 0.288 448 I C -0.335 175.872 176.117 0.149 0.000 1.048 448 I CA -0.192 61.253 61.300 0.242 0.000 1.062 448 I CB 2.111 40.196 38.000 0.143 0.000 1.238 448 I HN 0.837 nan 8.210 nan 0.000 0.426 449 E N 7.432 127.697 120.200 0.108 0.000 2.151 449 E HA 0.505 4.857 4.350 0.004 0.000 0.275 449 E C -1.518 175.088 176.600 0.010 0.000 0.936 449 E CA -0.619 55.819 56.400 0.064 0.000 0.777 449 E CB 1.327 31.077 29.700 0.083 0.000 1.108 449 E HN 0.527 nan 8.360 nan 0.000 0.401 450 L N 3.845 125.000 121.223 -0.114 0.000 2.277 450 L HA 0.363 4.705 4.340 0.004 0.000 0.284 450 L C -0.447 176.354 176.870 -0.116 0.000 1.028 450 L CA -0.525 54.108 54.840 -0.344 0.000 0.835 450 L CB 1.495 42.958 42.059 -0.993 0.000 1.215 450 L HN 0.440 nan 8.230 nan 0.000 0.425 451 S N 3.959 119.724 115.700 0.108 0.000 2.549 451 S HA 0.759 5.231 4.470 0.004 0.000 0.297 451 S C -0.338 174.355 174.600 0.154 0.000 1.115 451 S CA -0.524 57.773 58.200 0.162 0.000 1.059 451 S CB 1.828 65.127 63.200 0.166 0.000 1.046 451 S HN 0.354 nan 8.310 nan 0.000 0.506 452 L N 3.445 124.683 121.223 0.025 0.000 2.381 452 L HA 0.546 4.888 4.340 0.004 0.000 0.268 452 L C -2.454 174.144 176.870 -0.453 0.000 0.997 452 L CA -2.488 52.237 54.840 -0.191 0.000 0.818 452 L CB 2.326 44.263 42.059 -0.203 0.000 1.310 452 L HN 0.386 nan 8.230 nan 0.000 0.416 453 P HA 0.197 nan 4.420 nan 0.000 0.275 453 P C -1.371 175.750 177.300 -0.299 0.000 1.228 453 P CA -0.166 62.850 63.100 -0.140 0.000 0.786 453 P CB 0.473 32.223 31.700 0.084 0.000 0.927 454 H N -0.612 118.523 119.070 0.108 0.000 3.108 454 H HA 0.347 4.906 4.556 0.004 0.000 0.301 454 H C -0.556 174.798 175.328 0.045 0.000 1.139 454 H CA -0.367 55.720 56.048 0.066 0.000 1.552 454 H CB 0.919 30.720 29.762 0.065 0.000 1.663 454 H HN 0.217 nan 8.280 nan 0.000 0.517 455 S N 1.638 117.411 115.700 0.122 0.000 2.525 455 S HA 0.611 5.083 4.470 0.004 0.000 0.290 455 S C 0.234 174.865 174.600 0.052 0.000 1.152 455 S CA -0.733 57.501 58.200 0.056 0.000 1.072 455 S CB 1.273 64.473 63.200 0.000 0.000 1.027 455 S HN 0.740 nan 8.310 nan 0.000 0.500 456 A N 1.527 124.366 122.820 0.032 0.000 2.531 456 A HA 0.484 4.806 4.320 0.004 0.000 0.236 456 A C 1.196 178.790 177.584 0.016 0.000 1.062 456 A CA 0.420 52.470 52.037 0.022 0.000 0.760 456 A CB -0.920 18.087 19.000 0.012 0.000 0.995 456 A HN 1.902 nan 8.150 nan 0.000 0.501 457 G N 2.147 110.958 108.800 0.017 0.000 2.385 457 G HA2 -0.095 3.868 3.960 0.004 0.000 0.294 457 G HA3 -0.095 3.868 3.960 0.004 0.000 0.294 457 G C -0.571 174.341 174.900 0.020 0.000 1.070 457 G CA 0.231 45.340 45.100 0.014 0.000 1.172 457 G HN 0.893 nan 8.290 nan 0.000 0.516 458 D N -0.134 120.286 120.400 0.033 0.000 2.256 458 D HA 0.464 5.106 4.640 0.004 0.000 0.246 458 D C 1.848 178.169 176.300 0.035 0.000 1.042 458 D CA -0.758 53.267 54.000 0.042 0.000 0.841 458 D CB 1.415 42.261 40.800 0.077 0.000 1.223 458 D HN 0.120 nan 8.370 nan 0.000 0.470 459 L N 0.428 121.668 121.223 0.028 0.000 2.240 459 L HA 0.008 4.350 4.340 0.004 0.000 0.211 459 L C 1.343 178.231 176.870 0.030 0.000 1.106 459 L CA 0.596 55.451 54.840 0.025 0.000 0.793 459 L CB -0.169 41.902 42.059 0.019 0.000 0.927 459 L HN 0.198 nan 8.230 nan 0.000 0.446 460 S N -0.033 115.690 115.700 0.038 0.000 2.548 460 S HA 0.402 4.874 4.470 0.004 0.000 0.277 460 S C 0.850 175.487 174.600 0.061 0.000 1.315 460 S CA 0.008 58.234 58.200 0.044 0.000 1.050 460 S CB 1.752 64.976 63.200 0.040 0.000 0.918 460 S HN 0.255 nan 8.310 nan 0.000 0.497 461 A N 4.040 126.892 122.820 0.053 0.000 2.308 461 A HA 0.609 4.932 4.320 0.004 0.000 0.217 461 A C 1.042 178.670 177.584 0.074 0.000 1.216 461 A CA 0.323 52.392 52.037 0.053 0.000 0.864 461 A CB -0.582 18.438 19.000 0.034 0.000 0.902 461 A HN 1.155 nan 8.150 nan 0.000 0.499 462 A N 0.389 123.264 122.820 0.091 0.000 2.531 462 A HA 0.450 4.773 4.320 0.004 0.000 0.236 462 A C 0.464 178.183 177.584 0.225 0.000 1.062 462 A CA 0.701 52.812 52.037 0.123 0.000 0.760 462 A CB -0.294 18.753 19.000 0.078 0.000 0.995 462 A HN 1.347 nan 8.150 nan 0.000 0.501 463 V N -0.039 120.012 119.914 0.229 0.000 3.074 463 V HA 0.756 4.878 4.120 0.004 0.000 0.314 463 V C 0.263 176.543 176.094 0.310 0.000 1.117 463 V CA -0.780 61.694 62.300 0.290 0.000 1.014 463 V CB 1.351 33.226 31.823 0.087 0.000 1.057 463 V HN 0.852 nan 8.190 nan 0.000 0.438 464 S N 2.291 118.215 115.700 0.373 0.000 2.573 464 S HA 0.472 4.944 4.470 0.004 0.000 0.277 464 S C -0.195 174.479 174.600 0.123 0.000 1.346 464 S CA -0.379 57.972 58.200 0.251 0.000 1.034 464 S CB 0.162 63.525 63.200 0.271 0.000 0.879 464 S HN 0.999 nan 8.310 nan 0.000 0.528 465 Q N -0.619 119.197 119.800 0.026 0.000 2.575 465 Q HA 0.660 5.003 4.340 0.004 0.000 0.290 465 Q C -2.001 173.998 176.000 -0.003 0.000 0.963 465 Q CA -1.056 54.756 55.803 0.015 0.000 0.783 465 Q CB 1.174 29.922 28.738 0.016 0.000 1.467 465 Q HN 0.364 nan 8.270 nan 0.000 0.402 466 V N 1.085 121.022 119.914 0.038 0.000 2.459 466 V HA 0.585 4.707 4.120 0.004 0.000 0.295 466 V C -0.557 175.591 176.094 0.090 0.000 1.029 466 V CA -0.631 61.708 62.300 0.065 0.000 0.874 466 V CB 1.636 33.506 31.823 0.078 0.000 0.985 466 V HN 0.606 nan 8.190 nan 0.000 0.438 467 V N 6.056 126.058 119.914 0.147 0.000 2.588 467 V HA 0.563 4.685 4.120 0.004 0.000 0.304 467 V C -0.336 175.943 176.094 0.308 0.000 1.042 467 V CA -0.508 61.926 62.300 0.224 0.000 0.877 467 V CB 1.831 33.817 31.823 0.272 0.000 0.996 467 V HN 0.646 nan 8.190 nan 0.000 0.425 468 L N 4.804 126.102 121.223 0.126 0.000 2.319 468 L HA 0.615 4.957 4.340 0.004 0.000 0.267 468 L C -2.503 173.992 176.870 -0.626 0.000 1.011 468 L CA -2.125 52.619 54.840 -0.161 0.000 0.818 468 L CB 2.389 44.365 42.059 -0.139 0.000 1.316 468 L HN 0.388 nan 8.230 nan 0.000 0.432 469 P HA 0.219 nan 4.420 nan 0.000 0.267 469 P C -1.233 175.559 177.300 -0.847 0.000 1.200 469 P CA -0.020 61.963 63.100 -1.861 0.000 0.772 469 P CB 0.810 31.772 31.700 -1.230 0.000 0.855 470 A N 2.314 124.746 122.820 -0.648 0.000 2.589 470 A HA 0.440 4.762 4.320 0.004 0.000 0.296 470 A C 0.091 177.592 177.584 -0.138 0.000 1.062 470 A CA -0.534 51.347 52.037 -0.260 0.000 0.686 470 A CB 1.346 20.265 19.000 -0.135 0.000 1.282 470 A HN 0.424 nan 8.150 nan 0.000 0.404 471 K N 0.200 120.537 120.400 -0.105 0.000 2.391 471 K HA 0.194 4.516 4.320 0.004 0.000 0.197 471 K C 0.002 176.560 176.600 -0.070 0.000 1.087 471 K CA 0.562 56.806 56.287 -0.072 0.000 1.012 471 K CB 0.688 33.145 32.500 -0.073 0.000 0.925 471 K HN 0.779 nan 8.250 nan 0.000 0.547 472 E N 0.048 120.208 120.200 -0.067 0.000 2.281 472 E HA 0.468 4.820 4.350 0.004 0.000 0.262 472 E C -0.025 176.541 176.600 -0.058 0.000 0.933 472 E CA -0.685 55.676 56.400 -0.065 0.000 0.809 472 E CB 1.827 31.496 29.700 -0.052 0.000 1.242 472 E HN 0.157 nan 8.360 nan 0.000 0.418 473 G N -0.090 108.673 108.800 -0.062 0.000 2.750 473 G HA2 -0.293 3.669 3.960 0.004 0.000 0.228 473 G HA3 -0.293 3.669 3.960 0.004 0.000 0.228 473 G C 0.622 175.490 174.900 -0.054 0.000 1.367 473 G CA -0.228 44.844 45.100 -0.046 0.000 0.871 473 G HN 0.492 nan 8.290 nan 0.000 0.560 474 V N 0.396 120.286 119.914 -0.039 0.000 2.594 474 V HA -0.083 4.040 4.120 0.004 0.000 0.253 474 V C 2.658 178.736 176.094 -0.025 0.000 1.069 474 V CA 3.294 65.557 62.300 -0.063 0.000 1.082 474 V CB -0.558 31.203 31.823 -0.103 0.000 0.680 474 V HN 0.739 nan 8.190 nan 0.000 0.469 475 E N 0.599 120.803 120.200 0.007 0.000 2.072 475 E HA -0.160 4.193 4.350 0.004 0.000 0.191 475 E C 2.415 179.055 176.600 0.066 0.000 0.985 475 E CA 1.521 57.944 56.400 0.040 0.000 0.801 475 E CB -0.478 29.232 29.700 0.017 0.000 0.750 475 E HN 0.819 nan 8.360 nan 0.000 0.452 476 S N -0.254 115.461 115.700 0.024 0.000 2.370 476 S HA -0.217 4.255 4.470 0.004 0.000 0.226 476 S C 2.060 176.704 174.600 0.074 0.000 1.033 476 S CA 1.769 59.998 58.200 0.049 0.000 1.011 476 S CB -0.811 62.366 63.200 -0.039 0.000 0.852 476 S HN 0.193 nan 8.310 nan 0.000 0.457 477 T N 2.442 117.005 114.554 0.014 0.000 2.812 477 T HA 0.203 4.555 4.350 0.004 0.000 0.264 477 T C 1.754 176.510 174.700 0.094 0.000 1.042 477 T CA 1.321 63.444 62.100 0.039 0.000 1.140 477 T CB -0.425 68.453 68.868 0.017 0.000 0.870 477 T HN 0.415 nan 8.240 nan 0.000 0.445 478 I N 0.246 120.871 120.570 0.092 0.000 2.226 478 I HA -0.169 4.003 4.170 0.004 0.000 0.245 478 I C 2.460 178.682 176.117 0.175 0.000 1.100 478 I CA 1.238 62.613 61.300 0.125 0.000 1.374 478 I CB -0.310 37.762 38.000 0.120 0.000 1.057 478 I HN 0.467 nan 8.210 nan 0.000 0.413 479 W N 1.602 122.903 121.300 0.001 0.000 2.388 479 W HA -0.228 4.435 4.660 0.004 0.000 0.294 479 W C 2.261 178.758 176.519 -0.036 0.000 1.212 479 W CA 0.934 58.264 57.345 -0.025 0.000 1.271 479 W CB -0.102 29.327 29.460 -0.052 0.000 1.126 479 W HN 0.138 nan 8.180 nan 0.000 0.535 480 L N 1.442 122.630 121.223 -0.059 0.000 2.083 480 L HA -0.156 4.186 4.340 0.004 0.000 0.209 480 L C 2.449 179.306 176.870 -0.022 0.000 1.083 480 L CA 1.797 56.561 54.840 -0.127 0.000 0.752 480 L CB -1.093 40.994 42.059 0.046 0.000 0.899 480 L HN -0.047 nan 8.230 nan 0.000 0.433 481 L N -0.846 120.408 121.223 0.051 0.000 2.083 481 L HA -0.171 4.171 4.340 0.004 0.000 0.209 481 L C 2.641 179.463 176.870 -0.080 0.000 1.083 481 L CA 1.068 55.898 54.840 -0.016 0.000 0.752 481 L CB -0.819 41.287 42.059 0.079 0.000 0.899 481 L HN 0.379 nan 8.230 nan 0.000 0.433 482 A N 0.165 122.964 122.820 -0.035 0.000 1.902 482 A HA -0.224 4.099 4.320 0.004 0.000 0.217 482 A C 2.310 179.754 177.584 -0.233 0.000 1.181 482 A CA 1.646 53.656 52.037 -0.046 0.000 0.623 482 A CB -0.324 18.594 19.000 -0.137 0.000 0.818 482 A HN 0.319 nan 8.150 nan 0.000 0.443 483 K N -0.290 119.773 120.400 -0.562 0.000 2.057 483 K HA -0.082 4.240 4.320 0.004 0.000 0.207 483 K C 2.328 178.825 176.600 -0.173 0.000 1.049 483 K CA 1.103 57.031 56.287 -0.599 0.000 0.931 483 K CB -0.362 31.485 32.500 -1.090 0.000 0.714 483 K HN 0.447 nan 8.250 nan 0.000 0.440 484 A N 0.949 123.674 122.820 -0.158 0.000 1.883 484 A HA -0.194 4.128 4.320 0.004 0.000 0.217 484 A C 1.927 179.388 177.584 -0.206 0.000 1.186 484 A CA 1.431 53.357 52.037 -0.186 0.000 0.624 484 A CB -0.857 17.900 19.000 -0.406 0.000 0.822 484 A HN 0.274 nan 8.150 nan 0.000 0.444 485 Y N -0.209 120.055 120.300 -0.060 0.000 2.224 485 Y HA -0.162 4.391 4.550 0.004 0.000 0.289 485 Y C 2.602 178.473 175.900 -0.048 0.000 1.146 485 Y CA 1.211 59.295 58.100 -0.027 0.000 1.182 485 Y CB -0.829 37.667 38.460 0.059 0.000 0.983 485 Y HN 0.093 nan 8.280 nan 0.000 0.524 486 V N -0.088 119.902 119.914 0.127 0.000 2.287 486 V HA -0.297 3.825 4.120 0.004 0.000 0.248 486 V C 2.185 178.333 176.094 0.090 0.000 1.053 486 V CA 1.546 63.930 62.300 0.139 0.000 1.027 486 V CB -0.565 31.419 31.823 0.270 0.000 0.646 486 V HN 0.331 nan 8.190 nan 0.000 0.447 487 I N -0.316 120.317 120.570 0.105 0.000 2.546 487 I HA -0.122 4.051 4.170 0.004 0.000 0.255 487 I C 2.435 178.543 176.117 -0.014 0.000 1.163 487 I CA 1.119 62.458 61.300 0.066 0.000 1.457 487 I CB -1.192 36.868 38.000 0.099 0.000 1.092 487 I HN 0.163 nan 8.210 nan 0.000 0.434 488 V N 1.424 121.306 119.914 -0.054 0.000 2.255 488 V HA -0.320 3.803 4.120 0.004 0.000 0.247 488 V C 2.227 178.251 176.094 -0.118 0.000 1.051 488 V CA 2.105 64.365 62.300 -0.067 0.000 1.018 488 V CB -0.982 30.801 31.823 -0.066 0.000 0.641 488 V HN 0.469 nan 8.190 nan 0.000 0.445 489 N N -0.246 118.266 118.700 -0.314 0.000 2.037 489 N HA -0.276 4.466 4.740 0.004 0.000 0.196 489 N C 1.848 177.031 175.510 -0.544 0.000 1.034 489 N CA 1.745 54.334 53.050 -0.768 0.000 0.861 489 N CB -0.252 37.682 38.487 -0.921 0.000 1.039 489 N HN 0.559 nan 8.380 nan 0.000 0.427 490 D N 0.239 120.437 120.400 -0.337 0.000 2.144 490 D HA -0.077 4.565 4.640 0.004 0.000 0.199 490 D C 1.616 177.998 176.300 0.136 0.000 0.984 490 D CA 0.862 54.819 54.000 -0.071 0.000 0.834 490 D CB 0.198 41.073 40.800 0.124 0.000 0.955 490 D HN 0.131 nan 8.370 nan 0.000 0.465 491 S N -0.444 115.341 115.700 0.142 0.000 2.371 491 S HA -0.122 4.350 4.470 0.004 0.000 0.224 491 S C 2.311 177.156 174.600 0.407 0.000 1.029 491 S CA 0.562 58.934 58.200 0.287 0.000 0.978 491 S CB -0.277 63.071 63.200 0.246 0.000 0.833 491 S HN 0.437 nan 8.310 nan 0.000 0.466 492 C N 0.407 119.924 119.300 0.362 0.000 2.436 492 C HA -0.087 4.375 4.460 0.004 0.000 0.277 492 C C 2.336 177.450 174.990 0.206 0.000 1.241 492 C CA 0.537 59.740 59.018 0.308 0.000 1.721 492 C CB -1.330 26.663 27.740 0.421 0.000 2.043 492 C HN 0.662 nan 8.230 nan 0.000 0.472 493 Y N 0.506 120.905 120.300 0.165 0.000 2.165 493 Y HA -0.235 4.317 4.550 0.004 0.000 0.286 493 Y C 2.846 178.849 175.900 0.172 0.000 1.155 493 Y CA 2.288 60.486 58.100 0.163 0.000 1.164 493 Y CB -0.789 37.802 38.460 0.218 0.000 0.978 493 Y HN 0.509 nan 8.280 nan 0.000 0.513 494 H N -0.493 118.739 119.070 0.270 0.000 2.319 494 H HA -0.224 4.334 4.556 0.004 0.000 0.299 494 H C 2.067 177.457 175.328 0.103 0.000 1.092 494 H CA 2.087 58.245 56.048 0.183 0.000 1.302 494 H CB -0.067 29.790 29.762 0.159 0.000 1.373 494 H HN 0.386 nan 8.280 nan 0.000 0.497 495 Q N 0.623 120.388 119.800 -0.059 0.000 2.123 495 Q HA -0.007 4.335 4.340 0.004 0.000 0.199 495 Q C 2.506 178.412 176.000 -0.157 0.000 0.966 495 Q CA 1.318 57.016 55.803 -0.175 0.000 0.845 495 Q CB -0.119 28.373 28.738 -0.409 0.000 0.907 495 Q HN 0.549 nan 8.270 nan 0.000 0.439 496 L N -1.166 119.951 121.223 -0.176 0.000 2.298 496 L HA 0.038 4.380 4.340 0.004 0.000 0.209 496 L C 1.767 178.602 176.870 -0.059 0.000 1.084 496 L CA 0.299 55.074 54.840 -0.108 0.000 0.816 496 L CB -0.132 41.828 42.059 -0.165 0.000 0.967 496 L HN 0.244 nan 8.230 nan 0.000 0.460 497 M N -1.559 117.898 119.600 -0.238 0.000 2.755 497 M HA 0.127 4.609 4.480 0.004 0.000 0.247 497 M C 2.410 178.626 176.300 -0.139 0.000 1.275 497 M CA 0.924 56.047 55.300 -0.295 0.000 1.252 497 M CB -1.165 30.935 32.600 -0.834 0.000 1.215 497 M HN -0.101 nan 8.290 nan 0.000 0.527 498 S N 0.015 115.643 115.700 -0.121 0.000 2.382 498 S HA -0.151 4.321 4.470 0.004 0.000 0.228 498 S C 1.904 176.536 174.600 0.053 0.000 1.027 498 S CA 1.428 59.653 58.200 0.042 0.000 0.991 498 S CB -0.415 62.874 63.200 0.148 0.000 0.823 498 S HN 0.515 nan 8.310 nan 0.000 0.469 499 H N -1.221 117.733 119.070 -0.193 0.000 2.292 499 H HA -0.000 4.558 4.556 0.004 0.000 0.325 499 H C 2.172 177.551 175.328 0.085 0.000 1.119 499 H CA 0.518 56.507 56.048 -0.099 0.000 1.617 499 H CB -0.386 29.196 29.762 -0.301 0.000 1.502 499 H HN 0.479 nan 8.280 nan 0.000 0.615 500 W N 1.637 122.805 121.300 -0.220 0.000 2.332 500 W HA -0.240 4.422 4.660 0.004 0.000 0.321 500 W C 2.082 178.533 176.519 -0.114 0.000 1.219 500 W CA 1.405 58.591 57.345 -0.265 0.000 1.277 500 W CB -0.587 28.701 29.460 -0.287 0.000 1.161 500 W HN 0.354 nan 8.180 nan 0.000 0.476 501 L N 2.264 123.325 121.223 -0.270 0.000 2.005 501 L HA -0.189 4.153 4.340 0.004 0.000 0.207 501 L C 1.940 178.619 176.870 -0.318 0.000 1.072 501 L CA 2.300 56.896 54.840 -0.406 0.000 0.744 501 L CB -1.392 40.574 42.059 -0.156 0.000 0.895 501 L HN -0.125 nan 8.230 nan 0.000 0.433 502 N N -1.184 117.470 118.700 -0.077 0.000 2.457 502 N HA -0.063 4.679 4.740 0.004 0.000 0.180 502 N C 1.470 177.049 175.510 0.116 0.000 1.050 502 N CA 1.309 54.429 53.050 0.118 0.000 0.906 502 N CB -0.131 38.491 38.487 0.225 0.000 0.968 502 N HN 0.703 nan 8.380 nan 0.000 0.445 503 T N -2.700 111.862 114.554 0.012 0.000 3.499 503 T HA 0.088 4.440 4.350 0.004 0.000 0.227 503 T C 1.621 176.221 174.700 -0.166 0.000 0.946 503 T CA 0.101 62.213 62.100 0.019 0.000 1.368 503 T CB -0.339 68.623 68.868 0.157 0.000 1.227 503 T HN 0.007 nan 8.240 nan 0.000 0.398 504 H N 1.738 120.598 119.070 -0.350 0.000 2.265 504 H HA -0.040 4.518 4.556 0.004 0.000 0.293 504 H C 2.687 177.598 175.328 -0.694 0.000 1.089 504 H CA 2.142 57.867 56.048 -0.538 0.000 1.244 504 H CB -0.585 28.686 29.762 -0.818 0.000 1.355 504 H HN 0.579 nan 8.280 nan 0.000 0.485 505 A N 0.946 123.199 122.820 -0.944 0.000 1.897 505 A HA 0.026 4.349 4.320 0.004 0.000 0.215 505 A C 2.642 179.925 177.584 -0.501 0.000 1.181 505 A CA 1.439 52.968 52.037 -0.848 0.000 0.620 505 A CB -0.693 17.613 19.000 -1.157 0.000 0.821 505 A HN 0.445 nan 8.150 nan 0.000 0.443 506 A N -1.447 121.147 122.820 -0.376 0.000 2.015 506 A HA -0.008 4.315 4.320 0.004 0.000 0.219 506 A C 2.059 179.750 177.584 0.177 0.000 1.163 506 A CA 1.973 53.939 52.037 -0.119 0.000 0.646 506 A CB -0.379 18.622 19.000 0.002 0.000 0.806 506 A HN 0.490 nan 8.150 nan 0.000 0.448 507 M N -0.371 119.303 119.600 0.124 0.000 2.388 507 M HA 0.079 4.562 4.480 0.004 0.000 0.265 507 M C 1.657 178.013 176.300 0.093 0.000 1.088 507 M CA 1.452 56.921 55.300 0.282 0.000 1.134 507 M CB -0.409 32.299 32.600 0.181 0.000 1.384 507 M HN 0.545 nan 8.290 nan 0.000 0.447 508 E N -0.119 120.043 120.200 -0.063 0.000 2.110 508 E HA -0.162 4.190 4.350 0.004 0.000 0.193 508 E C -0.996 175.546 176.600 -0.097 0.000 0.988 508 E CA 1.175 57.527 56.400 -0.081 0.000 0.804 508 E CB -0.777 28.885 29.700 -0.063 0.000 0.745 508 E HN 0.337 nan 8.360 nan 0.000 0.458 509 P HA -0.157 nan 4.420 nan 0.000 0.216 509 P C 0.686 177.902 177.300 -0.139 0.000 1.150 509 P CA 1.253 64.235 63.100 -0.198 0.000 0.837 509 P CB -0.116 31.215 31.700 -0.614 0.000 0.786 510 F N -1.064 118.952 119.950 0.110 0.000 2.186 510 F HA -0.121 4.408 4.527 0.004 0.000 0.299 510 F C 2.350 178.136 175.800 -0.023 0.000 1.090 510 F CA 0.794 58.893 58.000 0.165 0.000 1.307 510 F CB -1.848 37.345 39.000 0.321 0.000 1.019 510 F HN -0.264 nan 8.300 nan 0.000 0.489 511 V N 0.667 120.438 119.914 -0.238 0.000 2.255 511 V HA -0.313 3.809 4.120 0.004 0.000 0.247 511 V C 2.358 178.475 176.094 0.039 0.000 1.051 511 V CA 1.959 63.967 62.300 -0.486 0.000 1.018 511 V CB -0.728 30.883 31.823 -0.352 0.000 0.641 511 V HN 0.283 nan 8.190 nan 0.000 0.445 512 I N 0.441 121.059 120.570 0.080 0.000 2.142 512 I HA -0.240 3.933 4.170 0.004 0.000 0.240 512 I C 2.741 178.945 176.117 0.146 0.000 1.078 512 I CA 1.553 62.909 61.300 0.094 0.000 1.343 512 I CB -0.717 37.157 38.000 -0.209 0.000 1.046 512 I HN 0.282 nan 8.210 nan 0.000 0.405 513 A N 0.547 123.533 122.820 0.276 0.000 1.892 513 A HA -0.265 4.057 4.320 0.004 0.000 0.218 513 A C 2.386 180.344 177.584 0.623 0.000 1.188 513 A CA 2.758 55.081 52.037 0.476 0.000 0.631 513 A CB -1.319 17.908 19.000 0.379 0.000 0.822 513 A HN 0.435 nan 8.150 nan 0.000 0.447 514 T N -0.786 114.115 114.554 0.578 0.000 2.699 514 T HA -0.182 4.170 4.350 0.004 0.000 0.268 514 T C 1.800 176.522 174.700 0.036 0.000 1.036 514 T CA 1.673 63.936 62.100 0.271 0.000 1.147 514 T CB -0.496 68.501 68.868 0.215 0.000 0.862 514 T HN 0.633 nan 8.240 nan 0.000 0.446 515 H N 0.664 119.737 119.070 0.004 0.000 2.436 515 H HA 0.168 4.726 4.556 0.004 0.000 0.294 515 H C 2.524 177.751 175.328 -0.168 0.000 1.048 515 H CA 0.801 56.712 56.048 -0.229 0.000 1.353 515 H CB 0.069 29.161 29.762 -1.117 0.000 1.414 515 H HN 0.315 nan 8.280 nan 0.000 0.536 516 R N -0.394 120.121 120.500 0.026 0.000 2.115 516 R HA -0.058 4.284 4.340 0.004 0.000 0.226 516 R C 1.230 177.366 176.300 -0.275 0.000 1.100 516 R CA 0.963 57.010 56.100 -0.088 0.000 0.980 516 R CB 0.208 30.489 30.300 -0.032 0.000 0.875 516 R HN 0.437 nan 8.270 nan 0.000 0.445 517 H N -1.532 117.635 119.070 0.162 0.000 3.400 517 H HA 0.255 4.813 4.556 0.004 0.000 0.251 517 H C 0.002 175.373 175.328 0.072 0.000 1.040 517 H CA 0.008 56.152 56.048 0.160 0.000 1.175 517 H CB 0.907 30.848 29.762 0.298 0.000 1.487 517 H HN -0.035 nan 8.280 nan 0.000 0.505 518 L N 1.928 123.197 121.223 0.076 0.000 2.282 518 L HA 0.270 4.613 4.340 0.004 0.000 0.288 518 L C 0.739 177.576 176.870 -0.054 0.000 1.033 518 L CA -0.510 54.267 54.840 -0.104 0.000 0.807 518 L CB 1.909 43.773 42.059 -0.325 0.000 1.209 518 L HN -0.013 nan 8.230 nan 0.000 0.423 519 S N 1.470 117.122 115.700 -0.080 0.000 2.585 519 S HA 0.111 4.584 4.470 0.004 0.000 0.273 519 S C 1.359 175.638 174.600 -0.534 0.000 1.339 519 S CA -0.591 57.471 58.200 -0.230 0.000 1.028 519 S CB 1.509 64.591 63.200 -0.195 0.000 0.906 519 S HN 0.470 nan 8.310 nan 0.000 0.528 520 V N 3.575 123.022 119.914 -0.777 0.000 2.660 520 V HA -0.134 3.988 4.120 0.004 0.000 0.257 520 V C 1.847 177.649 176.094 -0.488 0.000 1.088 520 V CA 1.789 63.452 62.300 -1.062 0.000 1.106 520 V CB -1.251 30.279 31.823 -0.489 0.000 0.686 520 V HN 0.812 nan 8.190 nan 0.000 0.481 521 L N -0.719 120.288 121.223 -0.359 0.000 2.478 521 L HA 0.119 4.462 4.340 0.004 0.000 0.223 521 L C 1.544 178.348 176.870 -0.110 0.000 1.140 521 L CA 0.373 55.087 54.840 -0.209 0.000 0.842 521 L CB -0.566 41.352 42.059 -0.235 0.000 0.953 521 L HN 0.430 nan 8.230 nan 0.000 0.452 522 H N 1.953 120.925 119.070 -0.163 0.000 2.683 522 H HA 0.080 4.638 4.556 0.004 0.000 0.339 522 H C -1.599 173.680 175.328 -0.082 0.000 1.081 522 H CA -1.883 54.107 56.048 -0.097 0.000 1.432 522 H CB 1.733 31.458 29.762 -0.061 0.000 1.462 522 H HN -0.122 nan 8.280 nan 0.000 0.557 523 P HA -0.152 nan 4.420 nan 0.000 0.219 523 P C 1.354 178.774 177.300 0.200 0.000 1.146 523 P CA 0.876 63.843 63.100 -0.221 0.000 0.808 523 P CB 0.610 31.749 31.700 -0.935 0.000 0.779 524 I N -2.212 118.563 120.570 0.342 0.000 2.703 524 I HA -0.090 4.082 4.170 0.004 0.000 0.259 524 I C 2.516 178.563 176.117 -0.117 0.000 1.151 524 I CA 0.098 61.433 61.300 0.057 0.000 1.470 524 I CB -1.706 36.218 38.000 -0.127 0.000 1.112 524 I HN -0.123 nan 8.210 nan 0.000 0.437 525 Y N 2.732 122.926 120.300 -0.176 0.000 2.081 525 Y HA -0.314 4.239 4.550 0.004 0.000 0.280 525 Y C 2.563 178.376 175.900 -0.145 0.000 1.163 525 Y CA 2.139 60.122 58.100 -0.195 0.000 1.135 525 Y CB -0.132 38.249 38.460 -0.132 0.000 0.970 525 Y HN 0.046 nan 8.280 nan 0.000 0.498 526 K N -0.607 119.919 120.400 0.210 0.000 2.147 526 K HA -0.171 4.151 4.320 0.004 0.000 0.205 526 K C 1.923 178.435 176.600 -0.148 0.000 1.049 526 K CA 1.308 57.677 56.287 0.137 0.000 0.936 526 K CB -0.396 32.323 32.500 0.365 0.000 0.722 526 K HN 0.290 nan 8.250 nan 0.000 0.446 527 L N 1.069 122.166 121.223 -0.210 0.000 2.027 527 L HA -0.131 4.211 4.340 0.004 0.000 0.206 527 L C 1.758 178.475 176.870 -0.254 0.000 1.074 527 L CA 1.682 56.280 54.840 -0.404 0.000 0.745 527 L CB -0.155 41.602 42.059 -0.503 0.000 0.898 527 L HN 0.117 nan 8.230 nan 0.000 0.433 528 L N -1.417 119.620 121.223 -0.310 0.000 2.298 528 L HA -0.030 4.312 4.340 0.004 0.000 0.209 528 L C 2.353 178.748 176.870 -0.792 0.000 1.084 528 L CA 1.082 55.685 54.840 -0.395 0.000 0.816 528 L CB -0.854 40.995 42.059 -0.352 0.000 0.967 528 L HN 0.405 nan 8.230 nan 0.000 0.460 529 T N -2.669 111.418 114.554 -0.778 0.000 2.915 529 T HA -0.031 4.321 4.350 0.004 0.000 0.269 529 T C -0.651 173.745 174.700 -0.506 0.000 1.071 529 T CA 0.387 62.008 62.100 -0.799 0.000 1.132 529 T CB -1.455 66.969 68.868 -0.740 0.000 0.878 529 T HN 0.144 nan 8.240 nan 0.000 0.479 530 P HA -0.073 nan 4.420 nan 0.000 0.222 530 P C 1.061 178.076 177.300 -0.475 0.000 1.147 530 P CA 0.959 63.783 63.100 -0.459 0.000 0.790 530 P CB -0.207 31.124 31.700 -0.616 0.000 0.780 531 H N -2.778 116.143 119.070 -0.249 0.000 2.543 531 H HA 0.109 4.668 4.556 0.004 0.000 0.269 531 H C 0.456 175.843 175.328 0.098 0.000 1.005 531 H CA 0.689 56.678 56.048 -0.099 0.000 1.146 531 H CB 0.029 29.733 29.762 -0.097 0.000 1.353 531 H HN 0.277 nan 8.280 nan 0.000 0.595 532 Y N 0.050 120.392 120.300 0.070 0.000 2.481 532 Y HA 0.165 4.717 4.550 0.004 0.000 0.247 532 Y C 1.372 177.309 175.900 0.061 0.000 1.151 532 Y CA -0.929 57.222 58.100 0.085 0.000 1.238 532 Y CB -0.003 38.529 38.460 0.120 0.000 1.179 532 Y HN -0.046 nan 8.280 nan 0.000 0.524 533 R N 2.240 122.835 120.500 0.157 0.000 2.504 533 R HA -0.136 4.206 4.340 0.004 0.000 0.291 533 R C 0.562 176.925 176.300 0.105 0.000 0.974 533 R CA 0.907 57.072 56.100 0.110 0.000 1.077 533 R CB -0.090 30.235 30.300 0.042 0.000 0.926 533 R HN 0.358 nan 8.270 nan 0.000 0.407 534 N N 1.557 120.321 118.700 0.106 0.000 2.900 534 N HA -0.286 4.456 4.740 0.004 0.000 0.240 534 N C 0.423 175.986 175.510 0.088 0.000 0.953 534 N CA 1.490 54.599 53.050 0.098 0.000 0.950 534 N CB -1.212 37.345 38.487 0.117 0.000 1.102 534 N HN 0.796 nan 8.380 nan 0.000 0.593 535 N N 0.094 118.843 118.700 0.081 0.000 2.106 535 N HA 0.020 4.762 4.740 0.004 0.000 0.188 535 N C 1.631 177.180 175.510 0.065 0.000 1.029 535 N CA 1.733 54.810 53.050 0.045 0.000 0.848 535 N CB -0.260 38.246 38.487 0.033 0.000 1.007 535 N HN 0.507 nan 8.380 nan 0.000 0.423 536 M N 0.102 119.734 119.600 0.054 0.000 2.159 536 M HA -0.145 4.337 4.480 0.004 0.000 0.263 536 M C 1.804 178.122 176.300 0.030 0.000 1.063 536 M CA 1.180 56.496 55.300 0.027 0.000 1.110 536 M CB -0.372 32.215 32.600 -0.021 0.000 1.374 536 M HN 0.152 nan 8.290 nan 0.000 0.411 537 N N 1.218 119.938 118.700 0.034 0.000 2.058 537 N HA -0.153 4.589 4.740 0.004 0.000 0.191 537 N C 1.458 177.012 175.510 0.073 0.000 1.037 537 N CA 1.339 54.409 53.050 0.034 0.000 0.848 537 N CB -0.214 38.299 38.487 0.043 0.000 1.021 537 N HN 0.204 nan 8.380 nan 0.000 0.422 538 I N 1.004 121.643 120.570 0.115 0.000 2.286 538 I HA -0.188 3.985 4.170 0.004 0.000 0.248 538 I C 1.411 177.640 176.117 0.187 0.000 1.115 538 I CA 1.310 62.703 61.300 0.154 0.000 1.392 538 I CB -0.613 37.518 38.000 0.218 0.000 1.065 538 I HN 0.153 nan 8.210 nan 0.000 0.418 539 N N 0.991 119.834 118.700 0.238 0.000 2.166 539 N HA -0.092 4.650 4.740 0.004 0.000 0.186 539 N C 1.864 177.505 175.510 0.218 0.000 1.019 539 N CA 1.600 54.852 53.050 0.336 0.000 0.856 539 N CB -0.556 38.105 38.487 0.292 0.000 0.993 539 N HN 0.523 nan 8.380 nan 0.000 0.426 540 A N 0.484 123.380 122.820 0.128 0.000 1.929 540 A HA 0.017 4.339 4.320 0.004 0.000 0.216 540 A C 2.261 179.833 177.584 -0.020 0.000 1.176 540 A CA 0.761 52.868 52.037 0.117 0.000 0.628 540 A CB -0.638 18.429 19.000 0.111 0.000 0.816 540 A HN 0.210 nan 8.150 nan 0.000 0.444 541 L N -0.653 120.547 121.223 -0.038 0.000 2.083 541 L HA -0.182 4.161 4.340 0.004 0.000 0.209 541 L C 3.075 179.840 176.870 -0.176 0.000 1.083 541 L CA 0.972 55.736 54.840 -0.128 0.000 0.752 541 L CB -0.496 41.533 42.059 -0.049 0.000 0.899 541 L HN 0.430 nan 8.230 nan 0.000 0.433 542 A N 0.197 122.961 122.820 -0.094 0.000 1.883 542 A HA -0.219 4.103 4.320 0.004 0.000 0.217 542 A C 2.379 179.815 177.584 -0.247 0.000 1.186 542 A CA 1.546 53.479 52.037 -0.175 0.000 0.624 542 A CB -0.502 18.414 19.000 -0.139 0.000 0.822 542 A HN 0.327 nan 8.150 nan 0.000 0.444 543 R N -0.857 119.558 120.500 -0.141 0.000 2.127 543 R HA -0.181 4.162 4.340 0.004 0.000 0.238 543 R C 2.436 178.570 176.300 -0.276 0.000 1.134 543 R CA 1.588 57.637 56.100 -0.085 0.000 0.975 543 R CB -0.259 30.131 30.300 0.151 0.000 0.865 543 R HN 0.816 nan 8.270 nan 0.000 0.447 544 Q N -0.413 118.998 119.800 -0.649 0.000 2.163 544 Q HA -0.015 4.328 4.340 0.004 0.000 0.198 544 Q C 0.921 176.669 176.000 -0.420 0.000 0.954 544 Q CA 1.312 56.566 55.803 -0.915 0.000 0.851 544 Q CB 0.461 28.394 28.738 -1.341 0.000 0.928 544 Q HN 0.131 nan 8.270 nan 0.000 0.459 545 S N -1.213 114.299 115.700 -0.313 0.000 2.651 545 S HA 0.248 4.721 4.470 0.004 0.000 0.259 545 S C 1.247 175.746 174.600 -0.169 0.000 1.073 545 S CA -0.376 57.704 58.200 -0.200 0.000 1.090 545 S CB 0.576 63.680 63.200 -0.159 0.000 1.042 545 S HN 0.220 nan 8.310 nan 0.000 0.581 546 L N 1.042 122.138 121.223 -0.212 0.000 2.347 546 L HA 0.412 4.755 4.340 0.004 0.000 0.196 546 L C 1.414 178.116 176.870 -0.281 0.000 1.072 546 L CA 0.761 55.470 54.840 -0.218 0.000 0.817 546 L CB -0.051 41.861 42.059 -0.246 0.000 1.029 546 L HN 0.291 nan 8.230 nan 0.000 0.478 547 I N -1.907 118.442 120.570 -0.370 0.000 3.914 547 I HA 0.185 4.357 4.170 0.004 0.000 0.333 547 I C 0.315 176.271 176.117 -0.268 0.000 1.449 547 I CA -0.675 60.382 61.300 -0.405 0.000 1.135 547 I CB -0.378 37.217 38.000 -0.674 0.000 1.073 547 I HN 0.159 nan 8.210 nan 0.000 0.401 548 N N 2.385 120.963 118.700 -0.204 0.000 2.424 548 N HA 0.212 4.954 4.740 0.004 0.000 0.257 548 N C 0.155 175.589 175.510 -0.127 0.000 1.250 548 N CA -0.171 52.795 53.050 -0.139 0.000 0.946 548 N CB 0.954 39.366 38.487 -0.124 0.000 1.175 548 N HN 0.192 nan 8.380 nan 0.000 0.477 549 A N 0.890 123.649 122.820 -0.101 0.000 2.545 549 A HA 0.049 4.371 4.320 0.004 0.000 0.253 549 A C 0.784 178.317 177.584 -0.085 0.000 1.074 549 A CA 0.177 52.155 52.037 -0.098 0.000 0.760 549 A CB -1.178 17.773 19.000 -0.082 0.000 1.005 549 A HN 0.920 nan 8.150 nan 0.000 0.506 550 N N 0.222 118.870 118.700 -0.088 0.000 2.782 550 N HA -0.150 4.592 4.740 0.004 0.000 0.251 550 N C 0.548 176.017 175.510 -0.067 0.000 1.101 550 N CA 1.615 54.622 53.050 -0.071 0.000 0.764 550 N CB -1.381 37.071 38.487 -0.059 0.000 1.122 550 N HN 1.190 nan 8.380 nan 0.000 0.561 551 G N -0.298 108.451 108.800 -0.084 0.000 2.516 551 G HA2 0.423 4.385 3.960 0.004 0.000 0.276 551 G HA3 0.423 4.385 3.960 0.004 0.000 0.276 551 G C 1.469 176.333 174.900 -0.060 0.000 1.390 551 G CA -0.017 45.032 45.100 -0.086 0.000 1.050 551 G HN 0.197 nan 8.290 nan 0.000 0.519 552 I N -0.491 120.047 120.570 -0.054 0.000 2.179 552 I HA -0.142 4.030 4.170 0.004 0.000 0.242 552 I C 2.651 178.790 176.117 0.036 0.000 1.088 552 I CA 1.019 62.317 61.300 -0.003 0.000 1.357 552 I CB -0.189 37.815 38.000 0.008 0.000 1.051 552 I HN 0.361 nan 8.210 nan 0.000 0.409 553 I N 0.472 121.034 120.570 -0.012 0.000 2.202 553 I HA -0.272 3.900 4.170 0.004 0.000 0.242 553 I C 2.423 178.580 176.117 0.066 0.000 1.091 553 I CA 1.508 62.824 61.300 0.027 0.000 1.368 553 I CB -0.391 37.485 38.000 -0.207 0.000 1.058 553 I HN 0.226 nan 8.210 nan 0.000 0.410 554 E N 0.050 120.230 120.200 -0.033 0.000 2.209 554 E HA -0.216 4.137 4.350 0.004 0.000 0.196 554 E C 1.846 178.447 176.600 0.000 0.000 0.993 554 E CA 1.851 58.232 56.400 -0.031 0.000 0.819 554 E CB -0.129 29.520 29.700 -0.085 0.000 0.745 554 E HN 0.601 nan 8.360 nan 0.000 0.477 555 T N -2.666 111.890 114.554 0.003 0.000 3.086 555 T HA 0.042 4.394 4.350 0.004 0.000 0.250 555 T C 1.649 176.341 174.700 -0.013 0.000 1.074 555 T CA 0.777 62.868 62.100 -0.015 0.000 0.988 555 T CB 0.282 69.132 68.868 -0.031 0.000 0.988 555 T HN 0.133 nan 8.240 nan 0.000 0.530 556 T N -2.136 112.445 114.554 0.045 0.000 2.955 556 T HA 0.431 4.784 4.350 0.004 0.000 0.251 556 T C -0.023 174.609 174.700 -0.113 0.000 1.002 556 T CA -0.478 61.606 62.100 -0.026 0.000 0.970 556 T CB -0.145 68.719 68.868 -0.007 0.000 1.091 556 T HN 0.232 nan 8.240 nan 0.000 0.495 557 F N 0.816 120.745 119.950 -0.036 0.000 2.470 557 F HA 0.587 5.116 4.527 0.003 0.000 0.329 557 F C 1.166 176.965 175.800 -0.001 0.000 1.072 557 F CA -1.805 56.187 58.000 -0.015 0.000 0.989 557 F CB 1.635 40.632 39.000 -0.006 0.000 1.193 557 F HN -0.126 nan 8.300 nan 0.000 0.481 558 L N 4.017 125.360 121.223 0.200 0.000 2.010 558 L HA -0.159 4.183 4.340 0.004 0.000 0.219 558 L C -1.113 175.854 176.870 0.162 0.000 1.077 558 L CA 2.383 57.311 54.840 0.146 0.000 0.773 558 L CB -1.260 40.904 42.059 0.176 0.000 0.892 558 L HN 0.449 nan 8.230 nan 0.000 0.436 559 P HA 0.019 nan 4.420 nan 0.000 0.245 559 P C 0.787 178.169 177.300 0.135 0.000 1.212 559 P CA 0.790 64.000 63.100 0.182 0.000 0.774 559 P CB 0.255 32.024 31.700 0.115 0.000 0.999 560 S N 1.108 116.848 115.700 0.067 0.000 3.736 560 S HA -0.294 4.178 4.470 0.004 0.000 0.627 560 S C 1.532 176.063 174.600 -0.116 0.000 2.426 560 S CA 2.116 60.304 58.200 -0.020 0.000 4.022 560 S CB -1.503 61.681 63.200 -0.027 0.000 0.237 560 S HN 0.408 nan 8.310 nan 0.000 0.967 561 K N 0.522 120.766 120.400 -0.260 0.000 2.520 561 K HA -0.089 4.233 4.320 0.004 0.000 0.197 561 K C 1.313 177.667 176.600 -0.411 0.000 1.043 561 K CA 2.081 58.150 56.287 -0.364 0.000 0.944 561 K CB -0.432 31.808 32.500 -0.433 0.000 0.770 561 K HN 0.637 nan 8.250 nan 0.000 0.480 562 Y N 1.219 121.508 120.300 -0.019 0.000 2.482 562 Y HA 0.177 4.729 4.550 0.004 0.000 0.270 562 Y C 2.156 177.972 175.900 -0.140 0.000 1.152 562 Y CA -0.216 57.872 58.100 -0.020 0.000 1.292 562 Y CB 0.319 38.821 38.460 0.071 0.000 1.070 562 Y HN 0.072 nan 8.280 nan 0.000 0.528 563 S N -0.052 115.617 115.700 -0.051 0.000 2.351 563 S HA -0.171 4.301 4.470 0.004 0.000 0.220 563 S C 2.188 176.684 174.600 -0.173 0.000 1.035 563 S CA 1.850 59.974 58.200 -0.126 0.000 1.031 563 S CB -0.718 62.398 63.200 -0.139 0.000 0.928 563 S HN 0.258 nan 8.310 nan 0.000 0.433 564 V N 2.946 122.741 119.914 -0.197 0.000 2.358 564 V HA -0.189 3.933 4.120 0.004 0.000 0.246 564 V C 2.561 178.530 176.094 -0.208 0.000 1.047 564 V CA 1.976 64.134 62.300 -0.236 0.000 1.035 564 V CB -1.126 30.507 31.823 -0.316 0.000 0.658 564 V HN 0.699 nan 8.190 nan 0.000 0.452 565 E N 0.553 120.650 120.200 -0.172 0.000 2.118 565 E HA -0.279 4.073 4.350 0.004 0.000 0.195 565 E C 2.133 178.765 176.600 0.053 0.000 0.992 565 E CA 1.824 58.192 56.400 -0.054 0.000 0.804 565 E CB -0.496 29.228 29.700 0.040 0.000 0.741 565 E HN 0.520 nan 8.360 nan 0.000 0.458 566 M N 1.603 121.113 119.600 -0.149 0.000 2.149 566 M HA -0.165 4.318 4.480 0.004 0.000 0.261 566 M C 2.599 178.854 176.300 -0.075 0.000 1.064 566 M CA 2.053 57.163 55.300 -0.316 0.000 1.102 566 M CB -0.378 31.863 32.600 -0.599 0.000 1.369 566 M HN 0.342 nan 8.290 nan 0.000 0.408 567 S N -1.135 114.553 115.700 -0.020 0.000 2.423 567 S HA -0.101 4.371 4.470 0.004 0.000 0.231 567 S C 1.918 176.696 174.600 0.297 0.000 1.014 567 S CA 1.400 59.665 58.200 0.108 0.000 0.965 567 S CB -0.427 62.878 63.200 0.174 0.000 0.785 567 S HN 0.429 nan 8.310 nan 0.000 0.495 568 S N 1.861 117.744 115.700 0.305 0.000 2.368 568 S HA 0.048 4.520 4.470 0.004 0.000 0.224 568 S C 2.147 176.990 174.600 0.404 0.000 1.029 568 S CA 1.127 59.597 58.200 0.451 0.000 0.988 568 S CB -0.887 62.528 63.200 0.358 0.000 0.838 568 S HN 0.783 nan 8.310 nan 0.000 0.462 569 A N 0.742 123.750 122.820 0.314 0.000 1.902 569 A HA -0.008 4.314 4.320 0.004 0.000 0.217 569 A C 2.297 180.027 177.584 0.244 0.000 1.181 569 A CA 1.730 53.930 52.037 0.273 0.000 0.623 569 A CB -0.982 18.197 19.000 0.298 0.000 0.818 569 A HN 0.447 nan 8.150 nan 0.000 0.443 570 V N -1.419 118.631 119.914 0.225 0.000 2.407 570 V HA -0.264 3.859 4.120 0.004 0.000 0.248 570 V C 2.346 178.610 176.094 0.282 0.000 1.055 570 V CA 1.977 64.413 62.300 0.226 0.000 1.049 570 V CB -1.015 30.906 31.823 0.163 0.000 0.662 570 V HN 0.726 nan 8.190 nan 0.000 0.455 571 Y N 1.368 121.771 120.300 0.173 0.000 2.403 571 Y HA -0.194 4.359 4.550 0.004 0.000 0.291 571 Y C 2.312 178.363 175.900 0.252 0.000 1.143 571 Y CA 1.296 59.500 58.100 0.173 0.000 1.257 571 Y CB -0.330 38.172 38.460 0.069 0.000 0.984 571 Y HN 0.229 nan 8.280 nan 0.000 0.550 572 K N -0.085 120.427 120.400 0.187 0.000 2.160 572 K HA -0.227 4.095 4.320 0.004 0.000 0.206 572 K C 0.957 177.604 176.600 0.078 0.000 1.047 572 K CA 1.899 58.250 56.287 0.106 0.000 0.930 572 K CB -0.311 32.274 32.500 0.141 0.000 0.720 572 K HN 0.450 nan 8.250 nan 0.000 0.450 573 N N -0.797 117.969 118.700 0.109 0.000 2.235 573 N HA 0.017 4.759 4.740 0.004 0.000 0.209 573 N C -0.801 174.731 175.510 0.036 0.000 1.122 573 N CA -0.409 52.687 53.050 0.077 0.000 0.845 573 N CB 0.274 38.811 38.487 0.084 0.000 1.004 573 N HN 0.193 nan 8.380 nan 0.000 0.499 574 W N 1.666 122.867 121.300 -0.165 0.000 2.266 574 W HA 0.393 5.056 4.660 0.004 0.000 0.317 574 W C -0.886 175.375 176.519 -0.430 0.000 1.310 574 W CA -0.295 56.925 57.345 -0.208 0.000 1.207 574 W CB 0.548 29.934 29.460 -0.122 0.000 1.199 574 W HN -0.342 nan 8.180 nan 0.000 0.544 575 V N 9.621 128.764 119.914 -1.286 0.000 2.443 575 V HA 0.084 4.206 4.120 0.004 0.000 0.293 575 V C 0.568 175.466 176.094 -1.993 0.000 1.021 575 V CA -0.851 60.247 62.300 -2.003 0.000 0.848 575 V CB 0.870 31.754 31.823 -1.566 0.000 0.998 575 V HN 0.720 nan 8.190 nan 0.000 0.424 576 F N 4.338 122.972 119.950 -2.193 0.000 2.087 576 F HA -0.252 4.277 4.527 0.004 0.000 0.299 576 F C 2.419 177.815 175.800 -0.674 0.000 1.100 576 F CA 2.841 60.102 58.000 -1.232 0.000 1.226 576 F CB -0.052 38.633 39.000 -0.524 0.000 0.983 576 F HN 0.627 nan 8.300 nan 0.000 0.479 577 T N -3.439 110.742 114.554 -0.622 0.000 3.088 577 T HA -0.038 4.314 4.350 0.004 0.000 0.259 577 T C 1.266 175.688 174.700 -0.463 0.000 1.122 577 T CA 0.904 62.759 62.100 -0.409 0.000 1.095 577 T CB -0.370 68.420 68.868 -0.131 0.000 0.930 577 T HN 0.160 nan 8.240 nan 0.000 0.508 578 D N 1.215 121.252 120.400 -0.605 0.000 2.340 578 D HA 0.049 4.691 4.640 0.004 0.000 0.220 578 D C 1.864 177.912 176.300 -0.420 0.000 1.039 578 D CA 0.237 53.947 54.000 -0.484 0.000 0.866 578 D CB 0.082 40.583 40.800 -0.498 0.000 0.913 578 D HN 0.353 nan 8.370 nan 0.000 0.523 579 Q N 0.261 119.783 119.800 -0.464 0.000 2.389 579 Q HA 0.142 4.484 4.340 0.004 0.000 0.204 579 Q C 0.734 176.621 176.000 -0.187 0.000 0.944 579 Q CA 0.060 55.720 55.803 -0.238 0.000 0.908 579 Q CB -0.149 28.478 28.738 -0.184 0.000 1.002 579 Q HN 0.143 nan 8.270 nan 0.000 0.493 580 A N 1.420 124.029 122.820 -0.352 0.000 2.540 580 A HA 0.047 4.370 4.320 0.004 0.000 0.239 580 A C 1.227 178.237 177.584 -0.956 0.000 1.061 580 A CA -0.178 51.496 52.037 -0.605 0.000 0.758 580 A CB 0.138 18.906 19.000 -0.386 0.000 0.991 580 A HN 0.273 nan 8.150 nan 0.000 0.502 581 L N 4.280 124.455 121.223 -1.748 0.000 2.017 581 L HA -0.021 4.321 4.340 0.004 0.000 0.208 581 L C -0.803 175.503 176.870 -0.940 0.000 1.073 581 L CA 2.427 56.495 54.840 -1.288 0.000 0.745 581 L CB -1.261 39.809 42.059 -1.649 0.000 0.894 581 L HN 0.524 nan 8.230 nan 0.000 0.432 582 P HA -0.119 nan 4.420 nan 0.000 0.216 582 P C 1.587 178.646 177.300 -0.401 0.000 1.153 582 P CA 1.947 64.696 63.100 -0.585 0.000 0.848 582 P CB -0.207 31.210 31.700 -0.470 0.000 0.787 583 A N 0.011 122.586 122.820 -0.408 0.000 1.908 583 A HA -0.271 4.052 4.320 0.004 0.000 0.218 583 A C 2.207 179.640 177.584 -0.251 0.000 1.181 583 A CA 2.325 54.190 52.037 -0.287 0.000 0.627 583 A CB -1.730 17.096 19.000 -0.290 0.000 0.818 583 A HN 0.195 nan 8.150 nan 0.000 0.445 584 D N -0.172 120.060 120.400 -0.280 0.000 2.104 584 D HA -0.147 4.495 4.640 0.004 0.000 0.194 584 D C 1.802 178.028 176.300 -0.122 0.000 0.994 584 D CA 1.532 55.427 54.000 -0.175 0.000 0.830 584 D CB -0.232 40.492 40.800 -0.126 0.000 0.959 584 D HN 0.425 nan 8.370 nan 0.000 0.452 585 L N -0.082 121.043 121.223 -0.164 0.000 2.093 585 L HA -0.078 4.264 4.340 0.004 0.000 0.208 585 L C 2.570 179.401 176.870 -0.064 0.000 1.085 585 L CA 0.625 55.404 54.840 -0.103 0.000 0.755 585 L CB -0.326 41.624 42.059 -0.182 0.000 0.904 585 L HN 0.181 nan 8.230 nan 0.000 0.435 586 I N -0.195 120.313 120.570 -0.103 0.000 2.286 586 I HA -0.270 3.902 4.170 0.004 0.000 0.245 586 I C 2.705 178.785 176.117 -0.061 0.000 1.104 586 I CA 1.176 62.431 61.300 -0.075 0.000 1.397 586 I CB -0.247 37.696 38.000 -0.095 0.000 1.072 586 I HN 0.223 nan 8.210 nan 0.000 0.417 587 K N 1.359 121.710 120.400 -0.081 0.000 2.097 587 K HA -0.129 4.193 4.320 0.004 0.000 0.205 587 K C 2.066 178.641 176.600 -0.040 0.000 1.050 587 K CA 1.270 57.514 56.287 -0.073 0.000 0.938 587 K CB 0.024 32.460 32.500 -0.106 0.000 0.718 587 K HN 0.222 nan 8.250 nan 0.000 0.442 588 R N -0.563 119.926 120.500 -0.019 0.000 2.323 588 R HA 0.013 4.356 4.340 0.004 0.000 0.198 588 R C 0.746 177.072 176.300 0.043 0.000 0.988 588 R CA 0.592 56.702 56.100 0.018 0.000 1.041 588 R CB 0.122 30.452 30.300 0.051 0.000 0.926 588 R HN 0.512 nan 8.270 nan 0.000 0.476 589 G N 1.093 109.910 108.800 0.029 0.000 2.198 589 G HA2 -0.267 3.695 3.960 0.004 0.000 0.260 589 G HA3 -0.267 3.695 3.960 0.004 0.000 0.260 589 G C 0.600 175.578 174.900 0.129 0.000 1.025 589 G CA 0.490 45.614 45.100 0.041 0.000 0.769 589 G HN 0.338 nan 8.290 nan 0.000 0.507 590 V N -4.344 115.665 119.914 0.159 0.000 3.578 590 V HA 0.815 4.937 4.120 0.004 0.000 0.290 590 V C 0.877 177.068 176.094 0.163 0.000 1.376 590 V CA 0.926 63.379 62.300 0.255 0.000 1.083 590 V CB 0.095 32.096 31.823 0.298 0.000 0.911 590 V HN 1.907 nan 8.190 nan 0.000 0.433 591 A N 1.056 123.922 122.820 0.076 0.000 2.609 591 A HA 0.896 5.218 4.320 0.004 0.000 0.291 591 A C -1.023 176.563 177.584 0.003 0.000 1.096 591 A CA -0.591 51.461 52.037 0.025 0.000 0.684 591 A CB 1.937 20.916 19.000 -0.036 0.000 1.282 591 A HN 0.834 nan 8.150 nan 0.000 0.412 592 I N -1.743 118.824 120.570 -0.005 0.000 2.689 592 I HA 0.611 4.784 4.170 0.004 0.000 0.299 592 I C -0.165 175.938 176.117 -0.023 0.000 1.059 592 I CA -0.919 60.373 61.300 -0.014 0.000 1.055 592 I CB 1.937 39.934 38.000 -0.004 0.000 1.243 592 I HN 0.644 nan 8.210 nan 0.000 0.425 593 K N 2.527 122.910 120.400 -0.029 0.000 2.489 593 K HA 0.046 4.368 4.320 0.004 0.000 0.278 593 K C -0.943 175.647 176.600 -0.016 0.000 1.000 593 K CA 0.634 56.905 56.287 -0.028 0.000 1.012 593 K CB 0.321 32.804 32.500 -0.028 0.000 0.903 593 K HN 0.796 nan 8.250 nan 0.000 0.485 594 D N 5.110 125.502 120.400 -0.013 0.000 2.362 594 D HA 0.178 4.821 4.640 0.004 0.000 0.228 594 D C -2.330 173.966 176.300 -0.007 0.000 1.326 594 D CA -1.422 52.573 54.000 -0.008 0.000 0.927 594 D CB 1.318 42.115 40.800 -0.005 0.000 1.501 594 D HN 0.165 nan 8.370 nan 0.000 0.519 595 P HA -0.133 nan 4.420 nan 0.000 0.220 595 P C 1.317 178.610 177.300 -0.012 0.000 1.144 595 P CA 1.061 64.156 63.100 -0.008 0.000 0.800 595 P CB 0.198 31.894 31.700 -0.007 0.000 0.772 596 S N -2.060 113.633 115.700 -0.011 0.000 2.507 596 S HA -0.051 4.421 4.470 0.004 0.000 0.235 596 S C 1.015 175.603 174.600 -0.020 0.000 0.988 596 S CA 0.690 58.883 58.200 -0.013 0.000 0.944 596 S CB -1.578 61.617 63.200 -0.009 0.000 0.762 596 S HN 0.270 nan 8.310 nan 0.000 0.526 597 T N -1.077 113.464 114.554 -0.021 0.000 2.918 597 T HA 0.508 4.860 4.350 0.004 0.000 0.283 597 T C -1.818 172.841 174.700 -0.069 0.000 1.001 597 T CA -1.838 60.242 62.100 -0.033 0.000 1.041 597 T CB 1.032 69.894 68.868 -0.011 0.000 1.028 597 T HN -0.099 nan 8.240 nan 0.000 0.511 598 P HA -0.127 nan 4.420 nan 0.000 0.216 598 P C 1.058 178.175 177.300 -0.305 0.000 1.153 598 P CA 1.382 64.323 63.100 -0.264 0.000 0.858 598 P CB -0.057 31.389 31.700 -0.424 0.000 0.789 599 H N -2.299 116.770 119.070 -0.002 0.000 2.551 599 H HA 0.308 4.867 4.556 0.004 0.000 0.271 599 H C 1.452 176.770 175.328 -0.017 0.000 0.984 599 H CA 0.861 56.910 56.048 0.001 0.000 1.164 599 H CB -0.058 29.689 29.762 -0.025 0.000 1.437 599 H HN 0.203 nan 8.280 nan 0.000 0.550 600 G N 1.173 110.002 108.800 0.047 0.000 2.162 600 G HA2 -0.286 3.677 3.960 0.004 0.000 0.260 600 G HA3 -0.286 3.677 3.960 0.004 0.000 0.260 600 G C 0.361 175.262 174.900 0.002 0.000 0.976 600 G CA 0.584 45.696 45.100 0.019 0.000 0.655 600 G HN 0.501 nan 8.290 nan 0.000 0.533 601 V N -3.715 116.206 119.914 0.011 0.000 3.087 601 V HA 0.870 4.992 4.120 0.004 0.000 0.306 601 V C -0.318 175.775 176.094 -0.002 0.000 1.187 601 V CA -1.175 61.114 62.300 -0.018 0.000 0.999 601 V CB 1.959 33.742 31.823 -0.067 0.000 1.049 601 V HN 0.555 nan 8.190 nan 0.000 0.431 602 R N 2.827 123.324 120.500 -0.006 0.000 2.295 602 R HA 0.681 5.024 4.340 0.004 0.000 0.324 602 R C -0.906 175.397 176.300 0.005 0.000 0.968 602 R CA -0.780 55.322 56.100 0.005 0.000 0.837 602 R CB 1.336 31.642 30.300 0.009 0.000 1.133 602 R HN 0.911 nan 8.270 nan 0.000 0.450 603 L N 5.974 127.200 121.223 0.006 0.000 2.453 603 L HA 0.045 4.387 4.340 0.004 0.000 0.272 603 L C 1.208 178.110 176.870 0.053 0.000 1.182 603 L CA -0.027 54.826 54.840 0.023 0.000 0.858 603 L CB 0.748 42.815 42.059 0.013 0.000 1.120 603 L HN 0.720 nan 8.230 nan 0.000 0.474 604 L N 4.217 125.497 121.223 0.095 0.000 2.509 604 L HA 0.163 4.505 4.340 0.004 0.000 0.222 604 L C 0.475 177.404 176.870 0.099 0.000 1.123 604 L CA 0.561 55.480 54.840 0.132 0.000 0.856 604 L CB 0.074 42.273 42.059 0.233 0.000 0.985 604 L HN 0.529 nan 8.230 nan 0.000 0.456 605 I N 0.407 120.993 120.570 0.027 0.000 2.428 605 I HA 0.028 4.200 4.170 0.004 0.000 0.279 605 I C 1.215 177.334 176.117 0.003 0.000 1.040 605 I CA -0.173 61.072 61.300 -0.091 0.000 1.171 605 I CB 1.470 39.284 38.000 -0.310 0.000 1.312 605 I HN 0.138 nan 8.210 nan 0.000 0.470 606 E N 3.027 123.224 120.200 -0.006 0.000 2.106 606 E HA -0.212 4.140 4.350 0.004 0.000 0.192 606 E C 0.536 177.151 176.600 0.025 0.000 0.984 606 E CA 0.985 57.394 56.400 0.016 0.000 0.806 606 E CB 0.140 29.846 29.700 0.010 0.000 0.750 606 E HN 0.448 nan 8.360 nan 0.000 0.458 607 D N 0.336 120.742 120.400 0.010 0.000 2.767 607 D HA -0.013 4.630 4.640 0.004 0.000 0.241 607 D C -1.530 174.793 176.300 0.039 0.000 1.187 607 D CA -0.521 53.490 54.000 0.020 0.000 0.999 607 D CB -0.397 40.403 40.800 0.000 0.000 1.042 607 D HN 0.165 nan 8.370 nan 0.000 0.510 608 Y N 2.432 122.670 120.300 -0.103 0.000 2.595 608 Y HA 0.374 4.926 4.550 0.003 0.000 0.336 608 Y C -1.930 173.895 175.900 -0.126 0.000 0.996 608 Y CA -3.060 54.964 58.100 -0.128 0.000 1.260 608 Y CB 1.163 39.547 38.460 -0.126 0.000 1.108 608 Y HN 0.105 nan 8.280 nan 0.000 0.509 609 P HA -0.249 nan 4.420 nan 0.000 0.215 609 P C 1.387 178.616 177.300 -0.119 0.000 1.157 609 P CA 1.706 64.742 63.100 -0.106 0.000 0.868 609 P CB -0.111 31.361 31.700 -0.380 0.000 0.788 610 Y N 0.854 121.010 120.300 -0.241 0.000 2.128 610 Y HA -0.204 4.349 4.550 0.004 0.000 0.284 610 Y C 2.302 178.125 175.900 -0.128 0.000 1.154 610 Y CA 1.731 59.801 58.100 -0.050 0.000 1.149 610 Y CB -1.188 37.301 38.460 0.049 0.000 0.976 610 Y HN -0.112 nan 8.280 nan 0.000 0.505 611 A N 0.739 123.085 122.820 -0.789 0.000 1.873 611 A HA -0.004 4.318 4.320 0.004 0.000 0.215 611 A C 2.470 179.733 177.584 -0.536 0.000 1.186 611 A CA 1.845 53.307 52.037 -0.957 0.000 0.616 611 A CB -1.538 16.694 19.000 -1.281 0.000 0.823 611 A HN 0.644 nan 8.150 nan 0.000 0.442 612 A N 0.297 122.923 122.820 -0.322 0.000 1.877 612 A HA -0.194 4.129 4.320 0.004 0.000 0.216 612 A C 1.748 179.261 177.584 -0.118 0.000 1.186 612 A CA 2.020 53.958 52.037 -0.165 0.000 0.620 612 A CB -0.669 18.301 19.000 -0.049 0.000 0.822 612 A HN 0.446 nan 8.150 nan 0.000 0.443 613 D N -0.472 119.904 120.400 -0.040 0.000 2.144 613 D HA -0.022 4.621 4.640 0.004 0.000 0.200 613 D C 2.035 178.351 176.300 0.027 0.000 0.978 613 D CA 1.327 55.362 54.000 0.058 0.000 0.833 613 D CB -0.690 40.242 40.800 0.221 0.000 0.961 613 D HN 0.436 nan 8.370 nan 0.000 0.470 614 G N 0.535 109.281 108.800 -0.090 0.000 2.408 614 G HA2 -0.171 3.792 3.960 0.004 0.000 0.217 614 G HA3 -0.171 3.792 3.960 0.004 0.000 0.217 614 G C 1.710 176.572 174.900 -0.064 0.000 1.150 614 G CA 0.165 45.277 45.100 0.019 0.000 0.776 614 G HN 0.242 nan 8.290 nan 0.000 0.542 615 L N 0.291 121.332 121.223 -0.304 0.000 2.083 615 L HA -0.061 4.281 4.340 0.004 0.000 0.209 615 L C 2.928 179.614 176.870 -0.306 0.000 1.083 615 L CA 0.928 55.487 54.840 -0.469 0.000 0.752 615 L CB -0.216 41.338 42.059 -0.841 0.000 0.899 615 L HN 0.131 nan 8.230 nan 0.000 0.433 616 E N 0.182 120.301 120.200 -0.134 0.000 2.051 616 E HA -0.205 4.147 4.350 0.004 0.000 0.192 616 E C 2.275 178.962 176.600 0.145 0.000 0.991 616 E CA 1.227 57.666 56.400 0.066 0.000 0.799 616 E CB -0.202 29.546 29.700 0.080 0.000 0.748 616 E HN 0.391 nan 8.360 nan 0.000 0.449 617 I N 0.618 121.305 120.570 0.195 0.000 2.226 617 I HA -0.247 3.925 4.170 0.004 0.000 0.245 617 I C 2.426 178.757 176.117 0.356 0.000 1.100 617 I CA 0.925 62.405 61.300 0.300 0.000 1.374 617 I CB -1.356 36.884 38.000 0.400 0.000 1.057 617 I HN 0.325 nan 8.210 nan 0.000 0.413 618 W N 2.611 123.972 121.300 0.102 0.000 2.338 618 W HA -0.262 4.400 4.660 0.003 0.000 0.304 618 W C 2.498 179.019 176.519 0.004 0.000 1.212 618 W CA 2.418 59.719 57.345 -0.072 0.000 1.264 618 W CB -0.181 28.970 29.460 -0.516 0.000 1.142 618 W HN 0.154 nan 8.180 nan 0.000 0.512 619 A N 1.021 123.911 122.820 0.117 0.000 1.902 619 A HA -0.059 4.263 4.320 0.004 0.000 0.217 619 A C 2.223 179.848 177.584 0.067 0.000 1.181 619 A CA 2.741 54.837 52.037 0.099 0.000 0.623 619 A CB -1.356 17.813 19.000 0.282 0.000 0.818 619 A HN 0.338 nan 8.150 nan 0.000 0.443 620 A N -0.028 122.884 122.820 0.154 0.000 1.902 620 A HA -0.098 4.225 4.320 0.004 0.000 0.217 620 A C 2.116 179.880 177.584 0.300 0.000 1.181 620 A CA 1.602 53.791 52.037 0.253 0.000 0.623 620 A CB -0.617 18.555 19.000 0.286 0.000 0.818 620 A HN 0.513 nan 8.150 nan 0.000 0.443 621 I N -0.803 119.887 120.570 0.199 0.000 2.202 621 I HA -0.240 3.933 4.170 0.004 0.000 0.242 621 I C 2.484 178.499 176.117 -0.171 0.000 1.091 621 I CA 1.714 63.023 61.300 0.015 0.000 1.368 621 I CB -0.303 37.704 38.000 0.011 0.000 1.058 621 I HN 0.335 nan 8.210 nan 0.000 0.410 622 K N 0.764 120.971 120.400 -0.323 0.000 2.034 622 K HA -0.234 4.088 4.320 0.004 0.000 0.214 622 K C 2.110 178.624 176.600 -0.144 0.000 1.051 622 K CA 2.409 58.502 56.287 -0.324 0.000 0.931 622 K CB -0.207 32.070 32.500 -0.371 0.000 0.715 622 K HN 0.228 nan 8.250 nan 0.000 0.446 623 T N 0.626 115.160 114.554 -0.034 0.000 2.699 623 T HA -0.215 4.137 4.350 0.004 0.000 0.268 623 T C 1.197 175.943 174.700 0.078 0.000 1.036 623 T CA 1.526 63.650 62.100 0.041 0.000 1.147 623 T CB -0.388 68.544 68.868 0.107 0.000 0.862 623 T HN 0.537 nan 8.240 nan 0.000 0.446 624 W N 1.599 122.808 121.300 -0.152 0.000 2.378 624 W HA -0.167 4.495 4.660 0.003 0.000 0.313 624 W C 1.765 178.200 176.519 -0.140 0.000 1.197 624 W CA 0.629 57.835 57.345 -0.232 0.000 1.304 624 W CB -0.526 28.437 29.460 -0.828 0.000 1.148 624 W HN 0.040 nan 8.180 nan 0.000 0.494 625 V N 1.812 121.412 119.914 -0.523 0.000 2.295 625 V HA -0.343 3.779 4.120 0.004 0.000 0.246 625 V C 2.491 178.425 176.094 -0.266 0.000 1.049 625 V CA 2.373 64.341 62.300 -0.553 0.000 1.024 625 V CB -1.184 30.401 31.823 -0.396 0.000 0.648 625 V HN 0.257 nan 8.190 nan 0.000 0.447 626 Q N -0.636 119.067 119.800 -0.163 0.000 2.234 626 Q HA -0.261 4.082 4.340 0.004 0.000 0.206 626 Q C 2.295 178.271 176.000 -0.040 0.000 0.980 626 Q CA 1.807 57.561 55.803 -0.082 0.000 0.869 626 Q CB -0.055 28.649 28.738 -0.056 0.000 0.912 626 Q HN 0.744 nan 8.270 nan 0.000 0.436 627 E N -0.637 119.550 120.200 -0.022 0.000 2.140 627 E HA -0.150 4.202 4.350 0.004 0.000 0.191 627 E C 1.560 178.174 176.600 0.023 0.000 0.973 627 E CA 0.239 56.659 56.400 0.034 0.000 0.829 627 E CB 0.017 29.794 29.700 0.128 0.000 0.781 627 E HN 0.342 nan 8.360 nan 0.000 0.466 628 Y N 0.710 120.877 120.300 -0.222 0.000 2.163 628 Y HA -0.206 4.346 4.550 0.004 0.000 0.288 628 Y C 2.053 177.941 175.900 -0.021 0.000 1.136 628 Y CA 1.551 59.525 58.100 -0.210 0.000 1.147 628 Y CB -0.225 37.837 38.460 -0.663 0.000 0.987 628 Y HN -0.109 nan 8.280 nan 0.000 0.509 629 V N 1.198 121.165 119.914 0.088 0.000 2.255 629 V HA -0.267 3.855 4.120 0.004 0.000 0.247 629 V C -0.415 175.758 176.094 0.130 0.000 1.051 629 V CA 2.445 64.832 62.300 0.146 0.000 1.018 629 V CB -1.947 29.909 31.823 0.055 0.000 0.641 629 V HN 0.296 nan 8.190 nan 0.000 0.445 630 P HA -0.170 nan 4.420 nan 0.000 0.217 630 P C 1.813 179.047 177.300 -0.110 0.000 1.148 630 P CA 1.418 64.514 63.100 -0.007 0.000 0.834 630 P CB -0.176 31.507 31.700 -0.028 0.000 0.783 631 L N -3.401 117.684 121.223 -0.231 0.000 2.261 631 L HA -0.181 4.162 4.340 0.004 0.000 0.216 631 L C 1.653 178.034 176.870 -0.815 0.000 1.114 631 L CA 1.623 56.133 54.840 -0.551 0.000 0.777 631 L CB -0.701 40.898 42.059 -0.766 0.000 0.910 631 L HN 0.087 nan 8.230 nan 0.000 0.440 632 Y N -3.290 116.866 120.300 -0.240 0.000 2.432 632 Y HA 0.210 4.763 4.550 0.004 0.000 0.252 632 Y C -0.355 175.198 175.900 -0.578 0.000 1.097 632 Y CA -0.738 57.123 58.100 -0.399 0.000 1.250 632 Y CB 0.593 38.784 38.460 -0.448 0.000 1.245 632 Y HN -0.097 nan 8.280 nan 0.000 0.522 633 Y N -0.971 119.328 120.300 -0.002 0.000 2.322 633 Y HA 0.592 5.144 4.550 0.004 0.000 0.324 633 Y C 0.604 176.485 175.900 -0.032 0.000 1.027 633 Y CA -1.173 56.925 58.100 -0.004 0.000 1.179 633 Y CB 1.492 39.963 38.460 0.018 0.000 1.136 633 Y HN -0.046 nan 8.280 nan 0.000 0.449 634 A N 3.184 126.046 122.820 0.070 0.000 1.975 634 A HA 0.217 4.539 4.320 0.004 0.000 0.215 634 A C 0.947 178.557 177.584 0.043 0.000 1.170 634 A CA 0.874 52.927 52.037 0.026 0.000 0.656 634 A CB 0.229 19.223 19.000 -0.010 0.000 0.821 634 A HN 0.544 nan 8.150 nan 0.000 0.449 635 R N -1.273 119.269 120.500 0.070 0.000 2.799 635 R HA 0.285 4.627 4.340 0.004 0.000 0.270 635 R C -0.778 175.563 176.300 0.069 0.000 1.010 635 R CA -0.598 55.534 56.100 0.053 0.000 0.916 635 R CB 0.325 30.649 30.300 0.039 0.000 1.228 635 R HN 0.040 nan 8.270 nan 0.000 0.469 636 D N 0.955 121.379 120.400 0.039 0.000 2.123 636 D HA -0.154 4.488 4.640 0.004 0.000 0.196 636 D C 0.896 177.222 176.300 0.044 0.000 0.992 636 D CA 1.502 55.518 54.000 0.028 0.000 0.833 636 D CB 0.106 40.915 40.800 0.014 0.000 0.954 636 D HN 0.440 nan 8.370 nan 0.000 0.455 637 D N 0.973 121.402 120.400 0.048 0.000 2.158 637 D HA -0.143 4.500 4.640 0.004 0.000 0.197 637 D C 1.388 177.742 176.300 0.089 0.000 0.995 637 D CA 0.906 54.940 54.000 0.056 0.000 0.846 637 D CB -0.221 40.605 40.800 0.044 0.000 0.941 637 D HN 0.262 nan 8.370 nan 0.000 0.456 638 D N 0.020 120.494 120.400 0.124 0.000 2.219 638 D HA -0.076 4.566 4.640 0.004 0.000 0.205 638 D C 2.222 178.733 176.300 0.351 0.000 0.970 638 D CA 0.234 54.355 54.000 0.201 0.000 0.851 638 D CB 0.077 41.004 40.800 0.212 0.000 0.943 638 D HN 0.138 nan 8.370 nan 0.000 0.488 639 V N 0.788 120.841 119.914 0.233 0.000 2.346 639 V HA -0.181 3.941 4.120 0.004 0.000 0.244 639 V C 2.509 178.656 176.094 0.088 0.000 1.037 639 V CA 1.480 63.824 62.300 0.074 0.000 1.029 639 V CB -0.337 31.416 31.823 -0.116 0.000 0.663 639 V HN 0.135 nan 8.190 nan 0.000 0.454 640 K N 0.469 120.911 120.400 0.070 0.000 2.147 640 K HA -0.133 4.189 4.320 0.004 0.000 0.205 640 K C 1.507 178.155 176.600 0.080 0.000 1.049 640 K CA 1.777 58.100 56.287 0.060 0.000 0.936 640 K CB -0.658 31.869 32.500 0.044 0.000 0.722 640 K HN 0.666 nan 8.250 nan 0.000 0.446 641 N N 1.099 119.861 118.700 0.103 0.000 2.270 641 N HA 0.032 4.775 4.740 0.004 0.000 0.198 641 N C -0.421 175.172 175.510 0.138 0.000 1.117 641 N CA 0.183 53.293 53.050 0.101 0.000 0.845 641 N CB 0.150 38.686 38.487 0.082 0.000 0.980 641 N HN 0.441 nan 8.380 nan 0.000 0.486 642 D N 0.473 120.990 120.400 0.195 0.000 2.393 642 D HA 0.061 4.703 4.640 0.004 0.000 0.232 642 D C 0.957 177.399 176.300 0.237 0.000 1.192 642 D CA 0.039 54.191 54.000 0.254 0.000 0.882 642 D CB 0.968 42.017 40.800 0.415 0.000 1.038 642 D HN -0.091 nan 8.370 nan 0.000 0.499 643 S N 3.425 119.259 115.700 0.224 0.000 2.402 643 S HA -0.129 4.343 4.470 0.004 0.000 0.229 643 S C 1.457 176.308 174.600 0.417 0.000 1.021 643 S CA 1.065 59.428 58.200 0.272 0.000 0.974 643 S CB 0.081 63.455 63.200 0.290 0.000 0.800 643 S HN 0.548 nan 8.310 nan 0.000 0.484 644 E N 0.195 120.607 120.200 0.354 0.000 2.047 644 E HA -0.104 4.248 4.350 0.004 0.000 0.191 644 E C 2.037 178.831 176.600 0.325 0.000 0.987 644 E CA 1.148 57.753 56.400 0.341 0.000 0.799 644 E CB -0.255 29.609 29.700 0.272 0.000 0.752 644 E HN 0.369 nan 8.360 nan 0.000 0.449 645 L N 1.342 122.748 121.223 0.304 0.000 2.042 645 L HA -0.239 4.103 4.340 0.004 0.000 0.210 645 L C 2.245 179.357 176.870 0.403 0.000 1.076 645 L CA 1.678 56.716 54.840 0.330 0.000 0.749 645 L CB -0.199 42.043 42.059 0.306 0.000 0.893 645 L HN 0.064 nan 8.230 nan 0.000 0.432 646 Q N -1.217 118.732 119.800 0.248 0.000 2.079 646 Q HA -0.201 4.141 4.340 0.004 0.000 0.200 646 Q C 2.235 178.246 176.000 0.019 0.000 0.974 646 Q CA 1.876 57.751 55.803 0.120 0.000 0.840 646 Q CB -0.516 28.216 28.738 -0.010 0.000 0.898 646 Q HN 0.663 nan 8.270 nan 0.000 0.430 647 H N -0.959 118.156 119.070 0.076 0.000 2.389 647 H HA -0.149 4.409 4.556 0.004 0.000 0.299 647 H C 1.588 176.765 175.328 -0.252 0.000 1.081 647 H CA 1.540 57.499 56.048 -0.148 0.000 1.345 647 H CB -0.226 29.423 29.762 -0.189 0.000 1.393 647 H HN 0.341 nan 8.280 nan 0.000 0.520 648 W N 0.801 122.087 121.300 -0.023 0.000 2.332 648 W HA -0.271 4.391 4.660 0.003 0.000 0.321 648 W C 2.330 178.938 176.519 0.148 0.000 1.219 648 W CA 1.538 58.945 57.345 0.103 0.000 1.277 648 W CB -0.842 28.732 29.460 0.189 0.000 1.161 648 W HN 0.343 nan 8.180 nan 0.000 0.476 649 W N 1.861 123.019 121.300 -0.238 0.000 2.358 649 W HA -0.225 4.438 4.660 0.004 0.000 0.303 649 W C 2.278 178.543 176.519 -0.423 0.000 1.208 649 W CA 1.896 58.894 57.345 -0.579 0.000 1.274 649 W CB -0.511 28.763 29.460 -0.309 0.000 1.138 649 W HN -0.034 nan 8.180 nan 0.000 0.515 650 K N 0.694 120.938 120.400 -0.260 0.000 2.097 650 K HA -0.264 4.058 4.320 0.004 0.000 0.206 650 K C 2.027 178.368 176.600 -0.432 0.000 1.049 650 K CA 1.908 57.980 56.287 -0.358 0.000 0.933 650 K CB -0.399 31.973 32.500 -0.214 0.000 0.717 650 K HN 0.141 nan 8.250 nan 0.000 0.442 651 E N -0.499 119.496 120.200 -0.342 0.000 2.112 651 E HA -0.093 4.260 4.350 0.004 0.000 0.190 651 E C 1.791 178.148 176.600 -0.406 0.000 0.979 651 E CA 0.656 56.890 56.400 -0.276 0.000 0.814 651 E CB -0.016 29.656 29.700 -0.047 0.000 0.762 651 E HN 0.403 nan 8.360 nan 0.000 0.460 652 A N 0.567 123.094 122.820 -0.489 0.000 1.908 652 A HA -0.167 4.155 4.320 0.004 0.000 0.218 652 A C 2.326 179.440 177.584 -0.783 0.000 1.181 652 A CA 1.602 53.300 52.037 -0.564 0.000 0.627 652 A CB -0.627 18.021 19.000 -0.588 0.000 0.818 652 A HN 0.206 nan 8.150 nan 0.000 0.445 653 V N -0.095 119.156 119.914 -1.104 0.000 2.255 653 V HA -0.195 3.927 4.120 0.004 0.000 0.243 653 V C 2.292 177.909 176.094 -0.795 0.000 1.038 653 V CA 2.089 63.604 62.300 -1.309 0.000 1.008 653 V CB -0.871 29.871 31.823 -1.802 0.000 0.645 653 V HN 0.640 nan 8.190 nan 0.000 0.449 654 E N -0.419 119.403 120.200 -0.630 0.000 2.285 654 E HA -0.107 4.245 4.350 0.004 0.000 0.194 654 E C 1.905 178.290 176.600 -0.358 0.000 0.997 654 E CA 0.555 56.703 56.400 -0.420 0.000 0.845 654 E CB 0.122 29.626 29.700 -0.327 0.000 0.782 654 E HN 0.333 nan 8.360 nan 0.000 0.491 655 K N -0.090 120.035 120.400 -0.458 0.000 2.266 655 K HA 0.125 4.447 4.320 0.004 0.000 0.209 655 K C 1.923 178.083 176.600 -0.734 0.000 1.065 655 K CA 0.894 56.843 56.287 -0.563 0.000 0.946 655 K CB -0.845 31.242 32.500 -0.688 0.000 1.069 655 K HN 0.112 nan 8.250 nan 0.000 0.472 656 G N 0.718 109.005 108.800 -0.856 0.000 2.421 656 G HA2 -0.188 3.775 3.960 0.004 0.000 0.216 656 G HA3 -0.188 3.775 3.960 0.004 0.000 0.216 656 G C 0.752 175.313 174.900 -0.564 0.000 1.171 656 G CA 0.807 45.485 45.100 -0.703 0.000 0.775 656 G HN 0.315 nan 8.290 nan 0.000 0.543 657 H N 0.571 119.418 119.070 -0.371 0.000 2.507 657 H HA 0.272 4.830 4.556 0.004 0.000 0.271 657 H C 1.967 177.271 175.328 -0.041 0.000 1.224 657 H CA 0.198 56.193 56.048 -0.088 0.000 1.000 657 H CB 0.436 30.298 29.762 0.167 0.000 1.663 657 H HN 0.321 nan 8.280 nan 0.000 0.548 658 G N 0.195 108.946 108.800 -0.080 0.000 2.471 658 G HA2 -0.196 3.767 3.960 0.004 0.000 0.219 658 G HA3 -0.196 3.767 3.960 0.004 0.000 0.219 658 G C 1.175 176.090 174.900 0.025 0.000 1.125 658 G CA 0.233 45.275 45.100 -0.096 0.000 0.775 658 G HN 0.331 nan 8.290 nan 0.000 0.548 659 D N 0.230 120.714 120.400 0.139 0.000 2.317 659 D HA 0.022 4.664 4.640 0.004 0.000 0.211 659 D C 1.944 178.367 176.300 0.204 0.000 0.966 659 D CA 0.393 54.506 54.000 0.187 0.000 0.876 659 D CB 0.230 41.195 40.800 0.276 0.000 0.927 659 D HN 0.330 nan 8.370 nan 0.000 0.519 660 L N 0.739 122.125 121.223 0.271 0.000 2.818 660 L HA 0.157 4.499 4.340 0.004 0.000 0.243 660 L C 2.003 179.026 176.870 0.256 0.000 1.185 660 L CA -0.136 54.873 54.840 0.283 0.000 0.988 660 L CB 0.211 42.548 42.059 0.463 0.000 1.292 660 L HN -0.046 nan 8.230 nan 0.000 0.519 661 K N 0.060 120.512 120.400 0.087 0.000 2.147 661 K HA -0.204 4.119 4.320 0.004 0.000 0.205 661 K C 1.295 177.849 176.600 -0.077 0.000 1.049 661 K CA 1.731 57.959 56.287 -0.099 0.000 0.936 661 K CB -0.302 32.088 32.500 -0.182 0.000 0.722 661 K HN 0.296 nan 8.250 nan 0.000 0.446 662 D N 1.562 121.940 120.400 -0.038 0.000 2.178 662 D HA -0.143 4.499 4.640 0.004 0.000 0.201 662 D C 0.150 176.390 176.300 -0.100 0.000 0.980 662 D CA 0.906 54.873 54.000 -0.056 0.000 0.842 662 D CB -0.287 40.493 40.800 -0.033 0.000 0.948 662 D HN 0.052 nan 8.370 nan 0.000 0.472 663 K N 1.799 122.086 120.400 -0.189 0.000 2.485 663 K HA 0.019 4.341 4.320 0.004 0.000 0.277 663 K C -1.389 174.871 176.600 -0.567 0.000 0.990 663 K CA -0.828 55.143 56.287 -0.525 0.000 0.994 663 K CB 0.425 32.224 32.500 -1.168 0.000 0.906 663 K HN 0.123 nan 8.250 nan 0.000 0.488 664 P HA -0.096 nan 4.420 nan 0.000 0.233 664 P C 0.727 177.980 177.300 -0.078 0.000 1.167 664 P CA 1.078 64.077 63.100 -0.168 0.000 0.770 664 P CB 0.001 31.673 31.700 -0.046 0.000 0.837 665 W N -2.452 118.843 121.300 -0.007 0.000 3.197 665 W HA 0.198 4.861 4.660 0.004 0.000 0.274 665 W C -0.240 176.288 176.519 0.015 0.000 1.297 665 W CA -1.019 56.296 57.345 -0.051 0.000 1.662 665 W CB -1.332 28.029 29.460 -0.165 0.000 1.106 665 W HN -0.211 nan 8.180 nan 0.000 0.663 666 W N 4.284 125.685 121.300 0.168 0.000 2.322 666 W HA 0.189 4.851 4.660 0.004 0.000 0.328 666 W C -1.776 174.934 176.519 0.318 0.000 1.395 666 W CA -1.418 56.105 57.345 0.296 0.000 1.267 666 W CB -0.162 29.309 29.460 0.019 0.000 1.259 666 W HN -0.393 nan 8.180 nan 0.000 0.560 667 P HA -0.087 nan 4.420 nan 0.000 0.267 667 P C 0.545 178.083 177.300 0.398 0.000 1.200 667 P CA 0.149 63.488 63.100 0.398 0.000 0.772 667 P CB 0.759 32.616 31.700 0.262 0.000 0.855 668 K N 1.741 122.270 120.400 0.215 0.000 2.365 668 K HA 0.069 4.391 4.320 0.004 0.000 0.197 668 K C 0.587 177.239 176.600 0.087 0.000 1.042 668 K CA 0.015 56.412 56.287 0.184 0.000 0.987 668 K CB -0.355 32.213 32.500 0.114 0.000 0.779 668 K HN 0.296 nan 8.250 nan 0.000 0.484 669 L N 1.545 122.734 121.223 -0.058 0.000 3.598 669 L HA -0.195 4.147 4.340 0.004 0.000 0.422 669 L C 0.086 176.917 176.870 -0.065 0.000 1.262 669 L CA 0.564 55.300 54.840 -0.173 0.000 0.889 669 L CB -0.837 40.996 42.059 -0.378 0.000 1.857 669 L HN 0.172 nan 8.230 nan 0.000 0.858 670 Q N -1.058 118.722 119.800 -0.032 0.000 2.171 670 Q HA 0.396 4.738 4.340 0.004 0.000 0.218 670 Q C 0.757 176.746 176.000 -0.018 0.000 0.822 670 Q CA 0.893 56.690 55.803 -0.010 0.000 0.987 670 Q CB 1.038 29.783 28.738 0.012 0.000 1.144 670 Q HN 0.736 nan 8.270 nan 0.000 0.494 671 T N -3.919 110.609 114.554 -0.043 0.000 2.896 671 T HA 0.519 4.871 4.350 0.004 0.000 0.297 671 T C 1.018 175.673 174.700 -0.075 0.000 1.108 671 T CA -0.705 61.372 62.100 -0.039 0.000 1.004 671 T CB 0.999 69.853 68.868 -0.023 0.000 1.159 671 T HN -0.062 nan 8.240 nan 0.000 0.499 672 L N 0.547 121.733 121.223 -0.061 0.000 2.081 672 L HA -0.083 4.259 4.340 0.004 0.000 0.212 672 L C 2.904 179.728 176.870 -0.078 0.000 1.080 672 L CA 1.948 56.740 54.840 -0.080 0.000 0.754 672 L CB -0.478 41.562 42.059 -0.033 0.000 0.893 672 L HN 0.914 nan 8.230 nan 0.000 0.433 673 E N 0.245 120.413 120.200 -0.052 0.000 2.051 673 E HA -0.254 4.098 4.350 0.004 0.000 0.192 673 E C 1.657 178.226 176.600 -0.052 0.000 0.991 673 E CA 1.697 58.073 56.400 -0.041 0.000 0.799 673 E CB 0.112 29.800 29.700 -0.020 0.000 0.748 673 E HN 0.408 nan 8.360 nan 0.000 0.449 674 D N 0.238 120.601 120.400 -0.062 0.000 2.084 674 D HA -0.153 4.490 4.640 0.004 0.000 0.196 674 D C 1.928 178.140 176.300 -0.145 0.000 0.985 674 D CA 0.662 54.612 54.000 -0.083 0.000 0.826 674 D CB -0.356 40.391 40.800 -0.087 0.000 0.978 674 D HN 0.135 nan 8.370 nan 0.000 0.456 675 L N 0.493 121.611 121.223 -0.174 0.000 2.013 675 L HA -0.192 4.151 4.340 0.004 0.000 0.212 675 L C 2.249 179.036 176.870 -0.138 0.000 1.073 675 L CA 1.466 56.192 54.840 -0.191 0.000 0.753 675 L CB -0.594 41.309 42.059 -0.260 0.000 0.890 675 L HN -0.057 nan 8.230 nan 0.000 0.432 676 V N -0.310 119.531 119.914 -0.121 0.000 2.295 676 V HA -0.332 3.790 4.120 0.004 0.000 0.246 676 V C 2.566 178.599 176.094 -0.102 0.000 1.049 676 V CA 2.015 64.246 62.300 -0.115 0.000 1.024 676 V CB -0.633 31.128 31.823 -0.104 0.000 0.648 676 V HN 0.653 nan 8.190 nan 0.000 0.447 677 E N 0.413 120.573 120.200 -0.066 0.000 2.038 677 E HA -0.240 4.112 4.350 0.004 0.000 0.195 677 E C 2.232 178.851 176.600 0.032 0.000 1.000 677 E CA 2.453 58.844 56.400 -0.015 0.000 0.803 677 E CB -0.181 29.534 29.700 0.025 0.000 0.750 677 E HN 0.520 nan 8.360 nan 0.000 0.448 678 V N -0.114 119.819 119.914 0.031 0.000 2.287 678 V HA -0.299 3.823 4.120 0.004 0.000 0.248 678 V C 2.413 178.588 176.094 0.136 0.000 1.053 678 V CA 1.942 64.319 62.300 0.128 0.000 1.027 678 V CB -1.196 30.466 31.823 -0.268 0.000 0.646 678 V HN 0.489 nan 8.190 nan 0.000 0.447 679 C N 0.208 119.527 119.300 0.032 0.000 2.425 679 C HA -0.007 4.455 4.460 0.004 0.000 0.277 679 C C 2.662 177.623 174.990 -0.048 0.000 1.280 679 C CA 1.253 60.273 59.018 0.003 0.000 1.744 679 C CB -1.298 26.389 27.740 -0.088 0.000 1.989 679 C HN 0.748 nan 8.230 nan 0.000 0.491 680 L N 1.078 122.237 121.223 -0.108 0.000 2.046 680 L HA -0.054 4.288 4.340 0.004 0.000 0.208 680 L C 2.181 179.001 176.870 -0.083 0.000 1.077 680 L CA 1.928 56.638 54.840 -0.218 0.000 0.747 680 L CB -0.656 41.172 42.059 -0.385 0.000 0.896 680 L HN 0.324 nan 8.230 nan 0.000 0.432 681 I N -0.829 119.764 120.570 0.039 0.000 2.202 681 I HA -0.287 3.885 4.170 0.004 0.000 0.242 681 I C 2.463 178.706 176.117 0.210 0.000 1.091 681 I CA 1.473 62.860 61.300 0.145 0.000 1.368 681 I CB -0.299 37.602 38.000 -0.164 0.000 1.058 681 I HN 0.220 nan 8.210 nan 0.000 0.410 682 I N 0.891 121.585 120.570 0.206 0.000 2.151 682 I HA -0.334 3.838 4.170 0.004 0.000 0.243 682 I C 2.478 178.704 176.117 0.181 0.000 1.080 682 I CA 1.813 63.250 61.300 0.229 0.000 1.339 682 I CB -0.240 37.885 38.000 0.208 0.000 1.039 682 I HN 0.168 nan 8.210 nan 0.000 0.409 683 I N -0.444 120.158 120.570 0.053 0.000 2.252 683 I HA -0.320 3.852 4.170 0.004 0.000 0.245 683 I C 2.432 178.577 176.117 0.047 0.000 1.102 683 I CA 1.284 62.499 61.300 -0.142 0.000 1.385 683 I CB -0.469 37.325 38.000 -0.343 0.000 1.064 683 I HN 0.517 nan 8.210 nan 0.000 0.414 684 W N 2.185 123.504 121.300 0.032 0.000 2.333 684 W HA -0.255 4.407 4.660 0.004 0.000 0.316 684 W C 2.296 178.943 176.519 0.214 0.000 1.215 684 W CA 1.765 59.216 57.345 0.177 0.000 1.278 684 W CB -0.355 29.320 29.460 0.358 0.000 1.154 684 W HN 0.066 nan 8.180 nan 0.000 0.486 685 I N 1.421 122.090 120.570 0.165 0.000 2.163 685 I HA -0.325 3.847 4.170 0.004 0.000 0.243 685 I C 2.716 178.870 176.117 0.061 0.000 1.085 685 I CA 1.973 63.333 61.300 0.101 0.000 1.347 685 I CB -1.009 37.161 38.000 0.283 0.000 1.044 685 I HN -0.010 nan 8.210 nan 0.000 0.408 686 A N -0.060 122.834 122.820 0.122 0.000 2.014 686 A HA -0.111 4.211 4.320 0.004 0.000 0.218 686 A C 2.267 179.938 177.584 0.145 0.000 1.163 686 A CA 1.771 53.894 52.037 0.144 0.000 0.652 686 A CB -0.362 18.781 19.000 0.240 0.000 0.808 686 A HN 0.552 nan 8.150 nan 0.000 0.449 687 S N -1.084 114.677 115.700 0.102 0.000 2.885 687 S HA 0.488 4.960 4.470 0.004 0.000 0.172 687 S C 2.129 176.759 174.600 0.050 0.000 0.703 687 S CA 0.685 58.969 58.200 0.141 0.000 0.820 687 S CB -0.794 62.514 63.200 0.182 0.000 0.766 687 S HN 0.734 nan 8.310 nan 0.000 0.605 688 A N 1.272 124.005 122.820 -0.145 0.000 1.898 688 A HA 0.150 4.473 4.320 0.004 0.000 0.216 688 A C 2.284 179.602 177.584 -0.444 0.000 1.181 688 A CA 1.553 53.414 52.037 -0.293 0.000 0.620 688 A CB -1.100 17.676 19.000 -0.373 0.000 0.819 688 A HN 0.548 nan 8.150 nan 0.000 0.442 689 L N -0.556 120.180 121.223 -0.812 0.000 1.994 689 L HA -0.205 4.137 4.340 0.004 0.000 0.208 689 L C 2.460 179.297 176.870 -0.056 0.000 1.071 689 L CA 2.746 57.343 54.840 -0.404 0.000 0.745 689 L CB -0.813 41.006 42.059 -0.399 0.000 0.892 689 L HN 0.652 nan 8.230 nan 0.000 0.431 690 H N -0.469 118.568 119.070 -0.054 0.000 2.421 690 H HA -0.122 4.436 4.556 0.004 0.000 0.298 690 H C 1.841 177.233 175.328 0.106 0.000 1.087 690 H CA 1.455 57.538 56.048 0.058 0.000 1.330 690 H CB 0.241 30.032 29.762 0.050 0.000 1.388 690 H HN 0.498 nan 8.280 nan 0.000 0.526 691 A N 1.340 124.218 122.820 0.096 0.000 1.858 691 A HA -0.061 4.261 4.320 0.004 0.000 0.216 691 A C 2.766 180.431 177.584 0.135 0.000 1.190 691 A CA 1.861 54.067 52.037 0.281 0.000 0.617 691 A CB -1.219 17.972 19.000 0.318 0.000 0.827 691 A HN 0.553 nan 8.150 nan 0.000 0.443 692 A N -0.242 122.630 122.820 0.087 0.000 1.978 692 A HA -0.022 4.300 4.320 0.004 0.000 0.220 692 A C 2.204 179.808 177.584 0.034 0.000 1.170 692 A CA 2.293 54.394 52.037 0.107 0.000 0.636 692 A CB -1.023 18.129 19.000 0.254 0.000 0.810 692 A HN 1.224 nan 8.150 nan 0.000 0.448 693 V N -3.458 116.441 119.914 -0.025 0.000 3.354 693 V HA 0.320 4.442 4.120 0.004 0.000 0.258 693 V C 1.887 177.921 176.094 -0.101 0.000 1.159 693 V CA 1.373 63.684 62.300 0.018 0.000 1.125 693 V CB -0.470 31.400 31.823 0.079 0.000 0.774 693 V HN 0.333 nan 8.190 nan 0.000 0.464 694 G N -0.293 108.280 108.800 -0.377 0.000 2.556 694 G HA2 0.066 4.029 3.960 0.004 0.000 0.209 694 G HA3 0.066 4.029 3.960 0.004 0.000 0.209 694 G C 0.989 175.563 174.900 -0.543 0.000 1.159 694 G CA 0.373 45.054 45.100 -0.700 0.000 0.828 694 G HN 0.492 nan 8.290 nan 0.000 0.553 695 F N 1.694 121.585 119.950 -0.098 0.000 2.773 695 F HA 0.292 4.821 4.527 0.003 0.000 0.304 695 F C 2.317 178.146 175.800 0.049 0.000 1.129 695 F CA 0.175 58.138 58.000 -0.061 0.000 1.378 695 F CB 0.614 39.539 39.000 -0.125 0.000 1.095 695 F HN 0.184 nan 8.300 nan 0.000 0.565 696 G N -1.013 107.895 108.800 0.180 0.000 2.939 696 G HA2 -0.035 3.928 3.960 0.004 0.000 0.210 696 G HA3 -0.035 3.928 3.960 0.004 0.000 0.210 696 G C 1.382 176.441 174.900 0.265 0.000 1.160 696 G CA -0.002 45.321 45.100 0.371 0.000 0.770 696 G HN 0.274 nan 8.290 nan 0.000 0.543 697 Q N -0.575 119.305 119.800 0.133 0.000 1.993 697 Q HA -0.137 4.205 4.340 0.004 0.000 0.202 697 Q C 2.067 178.145 176.000 0.130 0.000 0.984 697 Q CA 1.402 57.264 55.803 0.098 0.000 0.837 697 Q CB -0.254 28.535 28.738 0.084 0.000 0.902 697 Q HN 0.578 nan 8.270 nan 0.000 0.423 698 Y N 1.107 121.445 120.300 0.063 0.000 2.220 698 Y HA -0.081 4.471 4.550 0.004 0.000 0.291 698 Y C -0.928 174.973 175.900 0.003 0.000 1.129 698 Y CA 1.063 59.192 58.100 0.047 0.000 1.161 698 Y CB -0.727 37.776 38.460 0.073 0.000 0.997 698 Y HN 0.073 nan 8.280 nan 0.000 0.522 699 P HA -0.212 nan 4.420 nan 0.000 0.217 699 P C 0.666 177.720 177.300 -0.411 0.000 1.151 699 P CA 2.054 65.037 63.100 -0.194 0.000 0.849 699 P CB -0.150 31.263 31.700 -0.479 0.000 0.787 700 Y N -2.133 118.089 120.300 -0.131 0.000 2.500 700 Y HA 0.286 4.838 4.550 0.003 0.000 0.284 700 Y C 2.545 178.319 175.900 -0.210 0.000 1.118 700 Y CA 1.079 59.092 58.100 -0.145 0.000 1.241 700 Y CB -0.887 37.535 38.460 -0.063 0.000 1.171 700 Y HN -0.114 nan 8.280 nan 0.000 0.540 701 G N -1.083 107.676 108.800 -0.069 0.000 2.939 701 G HA2 0.065 4.027 3.960 0.004 0.000 0.210 701 G HA3 0.065 4.027 3.960 0.004 0.000 0.210 701 G C 1.774 176.472 174.900 -0.337 0.000 1.160 701 G CA 0.533 45.537 45.100 -0.158 0.000 0.770 701 G HN 0.443 nan 8.290 nan 0.000 0.543 702 G N 0.205 108.636 108.800 -0.614 0.000 2.559 702 G HA2 0.097 4.059 3.960 0.004 0.000 0.216 702 G HA3 0.097 4.059 3.960 0.004 0.000 0.216 702 G C 0.461 175.002 174.900 -0.598 0.000 1.126 702 G CA 0.041 44.541 45.100 -0.999 0.000 0.778 702 G HN 0.360 nan 8.290 nan 0.000 0.543 703 L N 1.006 121.943 121.223 -0.476 0.000 2.264 703 L HA 0.475 4.818 4.340 0.004 0.000 0.287 703 L C 1.274 177.842 176.870 -0.503 0.000 1.039 703 L CA -0.700 53.864 54.840 -0.460 0.000 0.829 703 L CB 1.142 42.904 42.059 -0.495 0.000 1.211 703 L HN -0.015 nan 8.230 nan 0.000 0.427 704 I N 4.235 124.525 120.570 -0.467 0.000 2.335 704 I HA -0.264 3.909 4.170 0.004 0.000 0.251 704 I C 1.835 177.691 176.117 -0.436 0.000 1.129 704 I CA 1.745 62.811 61.300 -0.390 0.000 1.402 704 I CB 0.055 37.874 38.000 -0.302 0.000 1.069 704 I HN 0.797 nan 8.210 nan 0.000 0.424 705 M N -0.188 119.024 119.600 -0.647 0.000 2.213 705 M HA -0.174 4.308 4.480 0.004 0.000 0.263 705 M C 1.973 177.799 176.300 -0.789 0.000 1.062 705 M CA 1.607 56.470 55.300 -0.728 0.000 1.105 705 M CB -0.787 30.938 32.600 -1.458 0.000 1.385 705 M HN 0.269 nan 8.290 nan 0.000 0.417 706 N N 0.235 118.435 118.700 -0.833 0.000 2.250 706 N HA -0.035 4.707 4.740 0.004 0.000 0.181 706 N C -0.058 175.357 175.510 -0.159 0.000 1.017 706 N CA 0.884 53.688 53.050 -0.410 0.000 0.866 706 N CB 0.427 38.722 38.487 -0.319 0.000 0.985 706 N HN 0.002 nan 8.380 nan 0.000 0.429 707 R N 0.535 120.911 120.500 -0.206 0.000 2.653 707 R HA 0.331 4.673 4.340 0.004 0.000 0.269 707 R C -2.701 173.500 176.300 -0.166 0.000 1.603 707 R CA -1.734 54.289 56.100 -0.128 0.000 1.671 707 R CB 0.911 31.150 30.300 -0.102 0.000 1.300 707 R HN 0.252 nan 8.270 nan 0.000 0.668 708 P HA 0.005 nan 4.420 nan 0.000 0.268 708 P C 0.891 178.062 177.300 -0.215 0.000 1.204 708 P CA 0.276 63.248 63.100 -0.213 0.000 0.768 708 P CB 0.810 32.373 31.700 -0.228 0.000 0.842 709 T N -0.451 113.907 114.554 -0.327 0.000 3.065 709 T HA 0.442 4.795 4.350 0.004 0.000 0.252 709 T C 0.564 175.078 174.700 -0.309 0.000 1.099 709 T CA 0.261 62.046 62.100 -0.524 0.000 1.063 709 T CB 0.052 68.252 68.868 -1.113 0.000 0.948 709 T HN 0.625 nan 8.240 nan 0.000 0.506 710 A N 0.840 123.536 122.820 -0.207 0.000 2.608 710 A HA 0.702 5.024 4.320 0.004 0.000 0.292 710 A C -0.771 176.744 177.584 -0.115 0.000 1.066 710 A CA -0.716 51.255 52.037 -0.110 0.000 0.676 710 A CB 1.234 20.168 19.000 -0.111 0.000 1.277 710 A HN 0.647 nan 8.150 nan 0.000 0.413 711 S N 0.052 115.721 115.700 -0.051 0.000 2.542 711 S HA 0.740 5.212 4.470 0.004 0.000 0.293 711 S C -0.095 174.508 174.600 0.005 0.000 1.089 711 S CA -0.849 57.323 58.200 -0.047 0.000 0.961 711 S CB 1.972 65.190 63.200 0.030 0.000 1.062 711 S HN 0.719 nan 8.310 nan 0.000 0.483 712 R N 0.087 120.586 120.500 -0.002 0.000 2.476 712 R HA 0.342 4.684 4.340 0.004 0.000 0.276 712 R C -0.148 176.170 176.300 0.029 0.000 0.941 712 R CA -0.015 56.087 56.100 0.004 0.000 1.088 712 R CB 0.541 30.826 30.300 -0.024 0.000 1.216 712 R HN 0.584 nan 8.270 nan 0.000 0.533 713 R N 0.098 120.643 120.500 0.074 0.000 2.680 713 R HA 0.392 4.734 4.340 0.004 0.000 0.269 713 R C -0.980 175.424 176.300 0.173 0.000 1.026 713 R CA -0.705 55.450 56.100 0.092 0.000 0.889 713 R CB 1.773 32.130 30.300 0.094 0.000 1.241 713 R HN -0.132 nan 8.270 nan 0.000 0.463 714 L N 1.649 122.923 121.223 0.085 0.000 2.488 714 L HA 0.469 4.811 4.340 0.004 0.000 0.249 714 L C 0.291 177.305 176.870 0.240 0.000 1.151 714 L CA -1.004 53.865 54.840 0.049 0.000 0.806 714 L CB 0.391 42.378 42.059 -0.119 0.000 1.261 714 L HN 0.344 nan 8.230 nan 0.000 0.484 715 L N 1.874 123.274 121.223 0.295 0.000 2.485 715 L HA 0.118 4.460 4.340 0.004 0.000 0.275 715 L C -1.852 175.150 176.870 0.221 0.000 1.207 715 L CA -1.430 53.578 54.840 0.280 0.000 0.855 715 L CB 0.012 42.216 42.059 0.240 0.000 1.114 715 L HN 0.377 nan 8.230 nan 0.000 0.485 716 P HA 0.129 nan 4.420 nan 0.000 0.277 716 P C -0.870 176.593 177.300 0.272 0.000 1.240 716 P CA -0.568 62.670 63.100 0.230 0.000 0.798 716 P CB 0.708 32.557 31.700 0.248 0.000 0.979 717 E N 1.716 122.019 120.200 0.173 0.000 2.373 717 E HA 0.026 4.378 4.350 0.004 0.000 0.267 717 E C 1.199 177.768 176.600 -0.052 0.000 1.032 717 E CA -0.166 56.279 56.400 0.076 0.000 0.889 717 E CB 0.617 30.337 29.700 0.034 0.000 0.984 717 E HN 0.374 nan 8.360 nan 0.000 0.425 718 K N 1.233 121.431 120.400 -0.337 0.000 2.362 718 K HA -0.132 4.190 4.320 0.004 0.000 0.202 718 K C 1.420 177.732 176.600 -0.480 0.000 1.045 718 K CA 1.220 56.955 56.287 -0.919 0.000 0.936 718 K CB -0.028 32.073 32.500 -0.666 0.000 0.747 718 K HN 0.508 nan 8.250 nan 0.000 0.467 719 G N 1.767 110.449 108.800 -0.197 0.000 3.141 719 G HA2 -0.045 3.917 3.960 0.004 0.000 0.218 719 G HA3 -0.045 3.917 3.960 0.004 0.000 0.218 719 G C 0.398 175.288 174.900 -0.017 0.000 1.170 719 G CA 0.080 45.125 45.100 -0.093 0.000 0.769 719 G HN 0.337 nan 8.290 nan 0.000 0.546 720 T N -3.832 110.742 114.554 0.034 0.000 2.930 720 T HA 0.561 4.913 4.350 0.004 0.000 0.290 720 T C -2.075 172.695 174.700 0.117 0.000 1.052 720 T CA -1.728 60.419 62.100 0.078 0.000 1.017 720 T CB 2.672 71.594 68.868 0.089 0.000 1.137 720 T HN -0.205 nan 8.240 nan 0.000 0.511 721 P HA -0.025 nan 4.420 nan 0.000 0.216 721 P C 1.072 178.435 177.300 0.105 0.000 1.150 721 P CA 0.998 64.151 63.100 0.087 0.000 0.837 721 P CB 0.077 31.815 31.700 0.063 0.000 0.786 722 E N -1.666 118.602 120.200 0.114 0.000 2.077 722 E HA -0.204 4.148 4.350 0.004 0.000 0.193 722 E C 1.940 178.624 176.600 0.140 0.000 0.989 722 E CA 1.033 57.500 56.400 0.113 0.000 0.800 722 E CB -1.178 28.590 29.700 0.112 0.000 0.746 722 E HN 0.331 nan 8.360 nan 0.000 0.452 723 Y N 1.608 121.943 120.300 0.059 0.000 2.181 723 Y HA -0.207 4.345 4.550 0.004 0.000 0.288 723 Y C 1.897 177.831 175.900 0.056 0.000 1.146 723 Y CA 1.447 59.583 58.100 0.061 0.000 1.164 723 Y CB 0.268 38.761 38.460 0.055 0.000 0.982 723 Y HN -0.038 nan 8.280 nan 0.000 0.515 724 E N 0.241 120.572 120.200 0.219 0.000 2.150 724 E HA -0.231 4.121 4.350 0.004 0.000 0.193 724 E C 2.015 178.647 176.600 0.054 0.000 0.985 724 E CA 1.199 57.678 56.400 0.131 0.000 0.814 724 E CB -0.311 29.460 29.700 0.117 0.000 0.752 724 E HN 0.685 nan 8.360 nan 0.000 0.466 725 E N 0.462 120.692 120.200 0.049 0.000 2.110 725 E HA -0.147 4.206 4.350 0.004 0.000 0.193 725 E C 2.017 178.622 176.600 0.008 0.000 0.988 725 E CA 0.747 57.165 56.400 0.031 0.000 0.804 725 E CB 0.006 29.732 29.700 0.043 0.000 0.745 725 E HN 0.203 nan 8.360 nan 0.000 0.458 726 M N 0.117 119.695 119.600 -0.036 0.000 2.213 726 M HA -0.162 4.320 4.480 0.004 0.000 0.263 726 M C 2.142 178.414 176.300 -0.048 0.000 1.062 726 M CA 1.230 56.493 55.300 -0.062 0.000 1.105 726 M CB -0.158 32.323 32.600 -0.198 0.000 1.385 726 M HN 0.217 nan 8.290 nan 0.000 0.417 727 I N -0.173 120.357 120.570 -0.067 0.000 2.277 727 I HA -0.219 3.954 4.170 0.004 0.000 0.243 727 I C 1.954 178.081 176.117 0.016 0.000 1.094 727 I CA 0.883 62.166 61.300 -0.029 0.000 1.393 727 I CB -0.399 37.597 38.000 -0.007 0.000 1.078 727 I HN 0.302 nan 8.210 nan 0.000 0.417 728 N N 0.280 118.993 118.700 0.021 0.000 2.395 728 N HA -0.026 4.716 4.740 0.004 0.000 0.175 728 N C 0.446 175.968 175.510 0.021 0.000 1.029 728 N CA 0.708 53.773 53.050 0.025 0.000 0.897 728 N CB 0.034 38.534 38.487 0.023 0.000 0.991 728 N HN 0.182 nan 8.380 nan 0.000 0.441 729 N N 0.596 119.304 118.700 0.014 0.000 2.722 729 N HA -0.004 4.738 4.740 0.004 0.000 0.242 729 N C 0.621 176.091 175.510 -0.067 0.000 1.398 729 N CA -0.180 52.844 53.050 -0.042 0.000 0.755 729 N CB -0.029 38.436 38.487 -0.037 0.000 1.268 729 N HN 0.232 nan 8.380 nan 0.000 0.522 730 H N 0.341 119.362 119.070 -0.080 0.000 2.457 730 H HA 0.059 4.618 4.556 0.004 0.000 0.294 730 H C 0.356 175.622 175.328 -0.103 0.000 1.064 730 H CA 1.085 57.091 56.048 -0.070 0.000 1.330 730 H CB 0.441 30.158 29.762 -0.074 0.000 1.395 730 H HN 0.451 nan 8.280 nan 0.000 0.541 731 E N 0.709 120.385 120.200 -0.874 0.000 2.072 731 E HA -0.126 4.227 4.350 0.004 0.000 0.191 731 E C 2.196 178.661 176.600 -0.226 0.000 0.985 731 E CA 0.850 56.737 56.400 -0.855 0.000 0.801 731 E CB 0.139 29.108 29.700 -1.219 0.000 0.750 731 E HN 0.216 nan 8.360 nan 0.000 0.452 732 K N 1.389 121.702 120.400 -0.145 0.000 2.057 732 K HA -0.063 4.259 4.320 0.004 0.000 0.206 732 K C 1.839 178.470 176.600 0.052 0.000 1.050 732 K CA 1.360 57.648 56.287 0.002 0.000 0.935 732 K CB -0.450 32.063 32.500 0.023 0.000 0.715 732 K HN 0.085 nan 8.250 nan 0.000 0.439 733 A N -0.340 122.509 122.820 0.048 0.000 1.908 733 A HA -0.196 4.127 4.320 0.004 0.000 0.218 733 A C 2.254 179.903 177.584 0.109 0.000 1.181 733 A CA 1.734 53.817 52.037 0.077 0.000 0.627 733 A CB -1.065 17.983 19.000 0.080 0.000 0.818 733 A HN 0.504 nan 8.150 nan 0.000 0.445 734 Y N 0.432 120.761 120.300 0.049 0.000 2.097 734 Y HA -0.195 4.357 4.550 0.004 0.000 0.282 734 Y C 2.079 178.025 175.900 0.076 0.000 1.152 734 Y CA 2.101 60.259 58.100 0.096 0.000 1.136 734 Y CB -0.294 38.329 38.460 0.271 0.000 0.975 734 Y HN 0.222 nan 8.280 nan 0.000 0.498 735 L N -0.285 121.101 121.223 0.272 0.000 2.131 735 L HA -0.232 4.110 4.340 0.004 0.000 0.210 735 L C 2.517 179.403 176.870 0.026 0.000 1.092 735 L CA 1.342 56.275 54.840 0.156 0.000 0.759 735 L CB -0.506 41.676 42.059 0.205 0.000 0.903 735 L HN 0.160 nan 8.230 nan 0.000 0.435 736 R N -0.880 119.631 120.500 0.018 0.000 2.189 736 R HA -0.090 4.253 4.340 0.004 0.000 0.223 736 R C 2.118 178.392 176.300 -0.044 0.000 1.092 736 R CA 1.472 57.568 56.100 -0.007 0.000 0.989 736 R CB -0.205 30.107 30.300 0.020 0.000 0.876 736 R HN 0.340 nan 8.270 nan 0.000 0.457 737 T N 1.147 115.642 114.554 -0.099 0.000 2.939 737 T HA 0.083 4.436 4.350 0.004 0.000 0.254 737 T C 1.185 175.751 174.700 -0.222 0.000 1.041 737 T CA 0.501 62.508 62.100 -0.156 0.000 1.142 737 T CB 0.027 68.746 68.868 -0.248 0.000 0.874 737 T HN 0.219 nan 8.240 nan 0.000 0.452 738 I N 0.299 120.692 120.570 -0.296 0.000 3.244 738 I HA 0.363 4.535 4.170 0.004 0.000 0.314 738 I C -0.007 176.008 176.117 -0.171 0.000 1.043 738 I CA -1.040 60.093 61.300 -0.279 0.000 1.099 738 I CB -0.016 37.760 38.000 -0.374 0.000 1.449 738 I HN -0.145 nan 8.210 nan 0.000 0.625 739 T N 2.402 116.851 114.554 -0.176 0.000 2.777 739 T HA -0.077 4.275 4.350 0.004 0.000 0.273 739 T C 0.393 175.026 174.700 -0.111 0.000 1.016 739 T CA 0.255 62.261 62.100 -0.157 0.000 1.156 739 T CB -0.221 68.528 68.868 -0.200 0.000 1.019 739 T HN 0.668 nan 8.240 nan 0.000 0.503 740 S N 1.230 116.845 115.700 -0.141 0.000 2.580 740 S HA 0.075 4.547 4.470 0.004 0.000 0.266 740 S C 1.704 176.140 174.600 -0.273 0.000 1.354 740 S CA -0.588 57.503 58.200 -0.182 0.000 1.008 740 S CB 0.559 63.641 63.200 -0.197 0.000 0.898 740 S HN 0.840 nan 8.310 nan 0.000 0.555 741 K N 1.235 121.344 120.400 -0.486 0.000 2.044 741 K HA -0.174 4.149 4.320 0.004 0.000 0.210 741 K C 1.976 178.266 176.600 -0.517 0.000 1.049 741 K CA 1.854 57.667 56.287 -0.789 0.000 0.927 741 K CB -0.385 31.522 32.500 -0.988 0.000 0.713 741 K HN 0.554 nan 8.250 nan 0.000 0.443 742 L N 1.477 122.295 121.223 -0.674 0.000 1.976 742 L HA -0.066 4.276 4.340 0.004 0.000 0.209 742 L C -1.304 175.281 176.870 -0.475 0.000 1.071 742 L CA 1.665 55.973 54.840 -0.886 0.000 0.746 742 L CB -1.104 40.142 42.059 -1.356 0.000 0.890 742 L HN 0.147 nan 8.230 nan 0.000 0.432 743 P HA -0.146 nan 4.420 nan 0.000 0.217 743 P C 1.577 178.754 177.300 -0.204 0.000 1.148 743 P CA 1.893 64.856 63.100 -0.229 0.000 0.828 743 P CB -0.363 31.215 31.700 -0.203 0.000 0.783 744 T N 0.526 114.955 114.554 -0.209 0.000 2.708 744 T HA -0.098 4.254 4.350 0.004 0.000 0.266 744 T C 1.903 176.500 174.700 -0.171 0.000 1.037 744 T CA 1.115 63.124 62.100 -0.151 0.000 1.146 744 T CB -0.842 68.021 68.868 -0.008 0.000 0.865 744 T HN 0.078 nan 8.240 nan 0.000 0.435 745 L N 0.047 121.127 121.223 -0.238 0.000 2.083 745 L HA -0.072 4.270 4.340 0.004 0.000 0.209 745 L C 2.387 179.189 176.870 -0.113 0.000 1.083 745 L CA 1.217 55.886 54.840 -0.286 0.000 0.752 745 L CB -0.562 41.117 42.059 -0.634 0.000 0.899 745 L HN 0.289 nan 8.230 nan 0.000 0.433 746 I N -0.581 119.926 120.570 -0.104 0.000 2.233 746 I HA -0.247 3.925 4.170 0.004 0.000 0.243 746 I C 2.766 178.947 176.117 0.106 0.000 1.093 746 I CA 1.461 62.801 61.300 0.068 0.000 1.380 746 I CB -0.289 37.733 38.000 0.036 0.000 1.067 746 I HN 0.280 nan 8.210 nan 0.000 0.413 747 S N 1.310 117.029 115.700 0.030 0.000 2.383 747 S HA -0.101 4.371 4.470 0.004 0.000 0.227 747 S C 2.024 176.690 174.600 0.109 0.000 1.026 747 S CA 0.833 59.066 58.200 0.055 0.000 0.981 747 S CB -0.971 62.184 63.200 -0.075 0.000 0.818 747 S HN 0.374 nan 8.310 nan 0.000 0.472 748 L N 1.520 122.790 121.223 0.079 0.000 2.042 748 L HA -0.108 4.234 4.340 0.004 0.000 0.210 748 L C 2.928 180.047 176.870 0.415 0.000 1.076 748 L CA 1.505 56.461 54.840 0.192 0.000 0.749 748 L CB -0.958 41.083 42.059 -0.029 0.000 0.893 748 L HN 0.349 nan 8.230 nan 0.000 0.432 749 S N -0.653 115.322 115.700 0.458 0.000 2.368 749 S HA -0.162 4.310 4.470 0.004 0.000 0.224 749 S C 1.949 176.697 174.600 0.246 0.000 1.029 749 S CA 1.238 59.706 58.200 0.446 0.000 0.988 749 S CB -0.235 63.287 63.200 0.537 0.000 0.838 749 S HN 0.257 nan 8.310 nan 0.000 0.462 750 V N 3.327 123.371 119.914 0.217 0.000 2.323 750 V HA -0.086 4.036 4.120 0.004 0.000 0.244 750 V C 2.021 178.216 176.094 0.168 0.000 1.041 750 V CA 1.653 64.049 62.300 0.161 0.000 1.025 750 V CB -0.482 31.428 31.823 0.145 0.000 0.656 750 V HN 0.661 nan 8.190 nan 0.000 0.451 751 I N -1.837 118.861 120.570 0.213 0.000 2.493 751 I HA -0.161 4.012 4.170 0.004 0.000 0.254 751 I C 2.276 178.536 176.117 0.238 0.000 1.160 751 I CA 2.094 63.528 61.300 0.224 0.000 1.445 751 I CB -0.733 37.409 38.000 0.236 0.000 1.086 751 I HN 0.423 nan 8.210 nan 0.000 0.433 752 E N 2.038 122.379 120.200 0.235 0.000 2.051 752 E HA -0.205 4.147 4.350 0.004 0.000 0.192 752 E C 2.300 178.891 176.600 -0.014 0.000 0.991 752 E CA 1.717 58.111 56.400 -0.010 0.000 0.799 752 E CB -0.096 29.489 29.700 -0.193 0.000 0.748 752 E HN 0.648 nan 8.360 nan 0.000 0.449 753 I N 1.010 121.594 120.570 0.022 0.000 2.163 753 I HA -0.315 3.858 4.170 0.004 0.000 0.243 753 I C 2.287 178.444 176.117 0.067 0.000 1.085 753 I CA 1.106 62.421 61.300 0.025 0.000 1.347 753 I CB -0.255 37.765 38.000 0.033 0.000 1.044 753 I HN 0.208 nan 8.210 nan 0.000 0.408 754 L N -0.305 120.970 121.223 0.087 0.000 2.465 754 L HA -0.050 4.293 4.340 0.004 0.000 0.224 754 L C 1.866 178.735 176.870 -0.003 0.000 1.145 754 L CA 0.539 55.427 54.840 0.080 0.000 0.834 754 L CB -0.434 41.692 42.059 0.111 0.000 0.944 754 L HN 0.122 nan 8.230 nan 0.000 0.451 755 S N -1.598 114.141 115.700 0.066 0.000 2.540 755 S HA 0.079 4.551 4.470 0.004 0.000 0.218 755 S C 0.718 175.446 174.600 0.213 0.000 0.977 755 S CA -0.081 58.199 58.200 0.132 0.000 0.918 755 S CB 0.233 63.542 63.200 0.181 0.000 0.806 755 S HN 0.258 nan 8.310 nan 0.000 0.496 756 T N 2.801 117.446 114.554 0.152 0.000 2.799 756 T HA 0.277 4.629 4.350 0.004 0.000 0.286 756 T C -0.552 174.238 174.700 0.151 0.000 0.973 756 T CA -0.372 61.791 62.100 0.105 0.000 1.035 756 T CB 0.542 69.442 68.868 0.053 0.000 0.932 756 T HN 0.184 nan 8.240 nan 0.000 0.469 757 H N 1.911 121.079 119.070 0.163 0.000 2.723 757 H HA 0.454 5.012 4.556 0.004 0.000 0.294 757 H C 0.522 175.894 175.328 0.073 0.000 1.079 757 H CA -0.557 55.546 56.048 0.092 0.000 1.411 757 H CB 0.616 30.399 29.762 0.035 0.000 1.439 757 H HN 0.810 nan 8.280 nan 0.000 0.474 758 A N 2.687 125.614 122.820 0.178 0.000 2.520 758 A HA 0.031 4.353 4.320 0.004 0.000 0.235 758 A C 1.542 179.186 177.584 0.101 0.000 1.065 758 A CA 0.331 52.422 52.037 0.090 0.000 0.764 758 A CB 0.165 19.188 19.000 0.038 0.000 1.002 758 A HN 0.855 nan 8.150 nan 0.000 0.502 759 S N 0.314 116.062 115.700 0.081 0.000 2.474 759 S HA -0.126 4.346 4.470 0.004 0.000 0.235 759 S C 0.688 175.343 174.600 0.091 0.000 0.997 759 S CA 1.217 59.470 58.200 0.087 0.000 0.949 759 S CB -0.279 62.961 63.200 0.066 0.000 0.766 759 S HN 0.828 nan 8.310 nan 0.000 0.517 760 D N 0.239 120.695 120.400 0.094 0.000 2.427 760 D HA 0.232 4.875 4.640 0.004 0.000 0.224 760 D C 0.194 176.528 176.300 0.056 0.000 1.157 760 D CA -0.459 53.598 54.000 0.095 0.000 0.828 760 D CB -0.291 40.594 40.800 0.142 0.000 0.974 760 D HN 0.362 nan 8.370 nan 0.000 0.498 761 E N 0.208 120.404 120.200 -0.006 0.000 2.404 761 E HA 0.233 4.585 4.350 0.004 0.000 0.261 761 E C -0.835 175.626 176.600 -0.232 0.000 1.074 761 E CA -0.423 55.869 56.400 -0.180 0.000 0.917 761 E CB 1.123 30.552 29.700 -0.452 0.000 0.965 761 E HN -0.039 nan 8.360 nan 0.000 0.433 762 V N 5.320 125.080 119.914 -0.255 0.000 2.357 762 V HA 0.287 4.410 4.120 0.004 0.000 0.284 762 V C -0.666 175.285 176.094 -0.238 0.000 1.018 762 V CA -0.652 61.553 62.300 -0.159 0.000 0.841 762 V CB 0.212 31.985 31.823 -0.083 0.000 0.991 762 V HN 0.600 nan 8.190 nan 0.000 0.437 763 Y N 2.921 123.186 120.300 -0.059 0.000 2.408 763 Y HA 0.535 5.087 4.550 0.004 0.000 0.324 763 Y C 0.301 176.175 175.900 -0.042 0.000 1.302 763 Y CA -0.910 57.148 58.100 -0.070 0.000 1.384 763 Y CB 0.955 39.337 38.460 -0.129 0.000 1.367 763 Y HN 0.473 nan 8.280 nan 0.000 0.525 764 L N 1.683 123.003 121.223 0.161 0.000 2.499 764 L HA 0.302 4.644 4.340 0.004 0.000 0.273 764 L C 0.993 177.795 176.870 -0.114 0.000 1.195 764 L CA 1.389 56.293 54.840 0.107 0.000 0.882 764 L CB -0.166 41.974 42.059 0.135 0.000 1.133 764 L HN 0.863 nan 8.230 nan 0.000 0.483 765 G N 2.591 111.278 108.800 -0.189 0.000 2.176 765 G HA2 -0.225 3.737 3.960 0.004 0.000 0.253 765 G HA3 -0.225 3.737 3.960 0.004 0.000 0.253 765 G C 0.229 174.997 174.900 -0.219 0.000 0.979 765 G CA 0.287 45.054 45.100 -0.555 0.000 0.641 765 G HN 0.627 nan 8.290 nan 0.000 0.530 766 Q N -0.459 119.390 119.800 0.081 0.000 2.348 766 Q HA 0.791 5.133 4.340 0.004 0.000 0.271 766 Q C 0.101 176.197 176.000 0.161 0.000 1.067 766 Q CA -0.815 55.084 55.803 0.161 0.000 0.839 766 Q CB 1.833 30.623 28.738 0.086 0.000 1.354 766 Q HN 0.323 nan 8.270 nan 0.000 0.447 767 R N 0.508 121.044 120.500 0.061 0.000 2.837 767 R HA 0.130 4.472 4.340 0.004 0.000 0.271 767 R C -0.144 176.124 176.300 -0.053 0.000 0.993 767 R CA -0.498 55.507 56.100 -0.158 0.000 0.931 767 R CB 1.154 31.157 30.300 -0.495 0.000 1.206 767 R HN 0.779 nan 8.270 nan 0.000 0.474 768 D N -0.580 119.784 120.400 -0.060 0.000 2.317 768 D HA -0.089 4.554 4.640 0.004 0.000 0.211 768 D C -0.011 176.316 176.300 0.046 0.000 0.966 768 D CA 0.862 54.867 54.000 0.009 0.000 0.876 768 D CB 0.237 41.051 40.800 0.024 0.000 0.927 768 D HN 0.189 nan 8.370 nan 0.000 0.519 769 N N -0.269 118.467 118.700 0.061 0.000 2.371 769 N HA 0.174 4.916 4.740 0.004 0.000 0.291 769 N C -2.341 173.261 175.510 0.153 0.000 1.053 769 N CA -1.544 51.569 53.050 0.105 0.000 0.870 769 N CB 2.542 41.115 38.487 0.144 0.000 1.503 769 N HN -0.249 nan 8.380 nan 0.000 0.485 770 P HA 0.001 nan 4.420 nan 0.000 0.234 770 P C -0.080 177.050 177.300 -0.284 0.000 1.167 770 P CA 0.977 64.008 63.100 -0.115 0.000 0.763 770 P CB 0.202 31.717 31.700 -0.309 0.000 0.835 771 H N -1.223 117.896 119.070 0.083 0.000 2.475 771 H HA 0.092 4.650 4.556 0.004 0.000 0.276 771 H C 1.503 176.795 175.328 -0.059 0.000 1.126 771 H CA -0.489 55.529 56.048 -0.050 0.000 1.023 771 H CB -0.521 29.223 29.762 -0.030 0.000 1.669 771 H HN 0.379 nan 8.280 nan 0.000 0.573 772 W N 0.818 122.139 121.300 0.035 0.000 2.364 772 W HA -0.021 4.641 4.660 0.004 0.000 0.281 772 W C -0.241 176.292 176.519 0.023 0.000 1.219 772 W CA 0.774 58.128 57.345 0.015 0.000 1.220 772 W CB -0.466 28.967 29.460 -0.045 0.000 1.127 772 W HN 0.038 nan 8.180 nan 0.000 0.556 773 T N 0.086 114.271 114.554 -0.614 0.000 2.900 773 T HA 0.284 4.637 4.350 0.004 0.000 0.303 773 T C 0.840 175.314 174.700 -0.377 0.000 1.142 773 T CA 0.125 61.942 62.100 -0.472 0.000 1.007 773 T CB 1.716 70.206 68.868 -0.630 0.000 1.156 773 T HN -0.012 nan 8.240 nan 0.000 0.490 774 S N 1.264 116.840 115.700 -0.205 0.000 2.558 774 S HA 0.145 4.618 4.470 0.004 0.000 0.217 774 S C 0.077 174.616 174.600 -0.102 0.000 0.975 774 S CA -0.141 57.994 58.200 -0.109 0.000 0.912 774 S CB -0.105 63.112 63.200 0.028 0.000 0.776 774 S HN 0.681 nan 8.310 nan 0.000 0.526 775 D N 3.511 123.827 120.400 -0.140 0.000 2.367 775 D HA 0.213 4.855 4.640 0.004 0.000 0.255 775 D C 1.215 177.451 176.300 -0.107 0.000 1.300 775 D CA 0.179 54.111 54.000 -0.115 0.000 0.959 775 D CB 1.171 41.919 40.800 -0.086 0.000 1.064 775 D HN 0.411 nan 8.370 nan 0.000 0.509 776 S N 1.803 117.460 115.700 -0.072 0.000 2.407 776 S HA -0.317 4.155 4.470 0.004 0.000 0.235 776 S C 2.089 176.694 174.600 0.008 0.000 1.036 776 S CA 1.575 59.757 58.200 -0.031 0.000 1.013 776 S CB -0.403 62.785 63.200 -0.020 0.000 0.820 776 S HN 0.567 nan 8.310 nan 0.000 0.476 777 K N 1.616 122.007 120.400 -0.015 0.000 2.025 777 K HA 0.341 4.663 4.320 0.004 0.000 0.207 777 K C 2.532 179.195 176.600 0.106 0.000 1.049 777 K CA 1.525 57.818 56.287 0.011 0.000 0.933 777 K CB -1.609 30.847 32.500 -0.073 0.000 0.714 777 K HN 0.654 nan 8.250 nan 0.000 0.438 778 A N 0.911 123.795 122.820 0.107 0.000 1.902 778 A HA 0.045 4.368 4.320 0.004 0.000 0.217 778 A C 2.474 180.343 177.584 0.475 0.000 1.181 778 A CA 1.506 53.753 52.037 0.351 0.000 0.623 778 A CB -0.362 18.837 19.000 0.332 0.000 0.818 778 A HN 0.427 nan 8.150 nan 0.000 0.443 779 L N 0.061 121.401 121.223 0.196 0.000 2.131 779 L HA -0.253 4.089 4.340 0.004 0.000 0.210 779 L C 2.977 180.049 176.870 0.336 0.000 1.092 779 L CA 1.617 56.610 54.840 0.256 0.000 0.759 779 L CB -0.545 41.538 42.059 0.041 0.000 0.903 779 L HN 0.705 nan 8.230 nan 0.000 0.435 780 Q N -0.042 119.907 119.800 0.249 0.000 2.212 780 Q HA -0.077 4.265 4.340 0.004 0.000 0.199 780 Q C 2.257 178.419 176.000 0.269 0.000 0.950 780 Q CA 1.141 57.068 55.803 0.207 0.000 0.863 780 Q CB -0.294 28.520 28.738 0.126 0.000 0.944 780 Q HN 0.360 nan 8.270 nan 0.000 0.465 781 A N 1.210 124.257 122.820 0.379 0.000 1.908 781 A HA -0.176 4.146 4.320 0.004 0.000 0.218 781 A C 1.873 179.793 177.584 0.561 0.000 1.181 781 A CA 1.373 53.713 52.037 0.505 0.000 0.627 781 A CB -0.925 18.466 19.000 0.652 0.000 0.818 781 A HN 0.505 nan 8.150 nan 0.000 0.445 782 F N 0.349 120.552 119.950 0.422 0.000 2.234 782 F HA -0.113 4.416 4.527 0.004 0.000 0.299 782 F C 2.313 178.121 175.800 0.013 0.000 1.087 782 F CA 1.987 59.968 58.000 -0.031 0.000 1.340 782 F CB -0.244 38.854 39.000 0.162 0.000 1.031 782 F HN 0.352 nan 8.300 nan 0.000 0.500 783 Q N 0.467 120.301 119.800 0.055 0.000 2.187 783 Q HA -0.099 4.243 4.340 0.004 0.000 0.199 783 Q C 2.069 178.015 176.000 -0.091 0.000 0.957 783 Q CA 1.391 57.157 55.803 -0.060 0.000 0.857 783 Q CB -0.110 28.666 28.738 0.065 0.000 0.929 783 Q HN 0.306 nan 8.270 nan 0.000 0.453 784 K N -0.530 119.877 120.400 0.012 0.000 2.097 784 K HA -0.129 4.193 4.320 0.004 0.000 0.205 784 K C 1.856 178.463 176.600 0.012 0.000 1.050 784 K CA 1.185 57.494 56.287 0.036 0.000 0.938 784 K CB -0.273 32.300 32.500 0.121 0.000 0.718 784 K HN 0.229 nan 8.250 nan 0.000 0.442 785 F N 1.604 121.434 119.950 -0.200 0.000 2.102 785 F HA -0.103 4.426 4.527 0.003 0.000 0.298 785 F C 2.054 177.633 175.800 -0.368 0.000 1.105 785 F CA 1.757 59.578 58.000 -0.298 0.000 1.239 785 F CB -0.884 37.788 39.000 -0.546 0.000 0.991 785 F HN -0.023 nan 8.300 nan 0.000 0.474 786 G N 0.271 108.642 108.800 -0.715 0.000 2.422 786 G HA2 -0.295 3.667 3.960 0.004 0.000 0.218 786 G HA3 -0.295 3.667 3.960 0.004 0.000 0.218 786 G C 1.562 176.227 174.900 -0.393 0.000 1.146 786 G CA 0.869 45.569 45.100 -0.666 0.000 0.769 786 G HN 0.358 nan 8.290 nan 0.000 0.547 787 N N 0.696 119.241 118.700 -0.259 0.000 2.166 787 N HA -0.087 4.655 4.740 0.004 0.000 0.186 787 N C 2.030 177.454 175.510 -0.143 0.000 1.019 787 N CA 1.283 54.236 53.050 -0.162 0.000 0.856 787 N CB -0.247 38.183 38.487 -0.095 0.000 0.993 787 N HN 0.271 nan 8.380 nan 0.000 0.426 788 K N 1.267 121.587 120.400 -0.133 0.000 2.057 788 K HA 0.047 4.369 4.320 0.004 0.000 0.207 788 K C 2.002 178.521 176.600 -0.134 0.000 1.049 788 K CA 0.799 57.035 56.287 -0.085 0.000 0.931 788 K CB -0.397 32.102 32.500 -0.001 0.000 0.714 788 K HN 0.102 nan 8.250 nan 0.000 0.440 789 L N 0.460 121.530 121.223 -0.255 0.000 2.046 789 L HA -0.193 4.149 4.340 0.004 0.000 0.208 789 L C 2.312 179.058 176.870 -0.207 0.000 1.077 789 L CA 1.502 56.185 54.840 -0.261 0.000 0.747 789 L CB -0.355 41.443 42.059 -0.434 0.000 0.896 789 L HN 0.171 nan 8.230 nan 0.000 0.432 790 K N -0.150 120.123 120.400 -0.212 0.000 2.063 790 K HA -0.260 4.063 4.320 0.004 0.000 0.208 790 K C 2.058 178.574 176.600 -0.141 0.000 1.048 790 K CA 1.693 57.877 56.287 -0.173 0.000 0.928 790 K CB -0.146 32.259 32.500 -0.158 0.000 0.713 790 K HN 0.300 nan 8.250 nan 0.000 0.442 791 E N 0.978 121.109 120.200 -0.115 0.000 2.051 791 E HA -0.199 4.153 4.350 0.004 0.000 0.192 791 E C 1.976 178.526 176.600 -0.083 0.000 0.991 791 E CA 1.173 57.523 56.400 -0.083 0.000 0.799 791 E CB -0.030 29.635 29.700 -0.058 0.000 0.748 791 E HN 0.235 nan 8.360 nan 0.000 0.449 792 I N 0.939 121.461 120.570 -0.081 0.000 2.264 792 I HA -0.263 3.909 4.170 0.004 0.000 0.248 792 I C 2.584 178.630 176.117 -0.119 0.000 1.111 792 I CA 1.246 62.508 61.300 -0.063 0.000 1.382 792 I CB -0.261 37.720 38.000 -0.030 0.000 1.060 792 I HN 0.245 nan 8.210 nan 0.000 0.418 793 E N 1.031 121.120 120.200 -0.184 0.000 2.077 793 E HA -0.262 4.090 4.350 0.004 0.000 0.193 793 E C 2.019 178.415 176.600 -0.341 0.000 0.989 793 E CA 1.428 57.632 56.400 -0.327 0.000 0.800 793 E CB 0.060 29.561 29.700 -0.332 0.000 0.746 793 E HN 0.505 nan 8.360 nan 0.000 0.452 794 E N 0.438 120.513 120.200 -0.209 0.000 2.118 794 E HA -0.225 4.127 4.350 0.004 0.000 0.195 794 E C 2.086 178.617 176.600 -0.116 0.000 0.992 794 E CA 1.022 57.330 56.400 -0.153 0.000 0.804 794 E CB -0.084 29.557 29.700 -0.099 0.000 0.741 794 E HN 0.137 nan 8.360 nan 0.000 0.458 795 K N 1.162 121.507 120.400 -0.092 0.000 2.057 795 K HA -0.130 4.192 4.320 0.004 0.000 0.206 795 K C 2.099 178.684 176.600 -0.025 0.000 1.050 795 K CA 0.886 57.148 56.287 -0.041 0.000 0.935 795 K CB 0.002 32.492 32.500 -0.017 0.000 0.715 795 K HN 0.102 nan 8.250 nan 0.000 0.439 796 L N 0.730 121.917 121.223 -0.061 0.000 2.093 796 L HA -0.143 4.200 4.340 0.004 0.000 0.208 796 L C 2.402 179.306 176.870 0.057 0.000 1.085 796 L CA 0.639 55.492 54.840 0.021 0.000 0.755 796 L CB -0.434 41.633 42.059 0.013 0.000 0.904 796 L HN 0.031 nan 8.230 nan 0.000 0.435 797 V N 0.075 119.923 119.914 -0.110 0.000 2.287 797 V HA -0.287 3.835 4.120 0.004 0.000 0.248 797 V C 2.668 178.801 176.094 0.065 0.000 1.053 797 V CA 1.759 64.069 62.300 0.017 0.000 1.027 797 V CB -0.612 31.169 31.823 -0.070 0.000 0.646 797 V HN 0.424 nan 8.190 nan 0.000 0.447 798 R N -0.429 120.085 120.500 0.022 0.000 2.096 798 R HA -0.133 4.209 4.340 0.004 0.000 0.235 798 R C 2.547 178.882 176.300 0.060 0.000 1.127 798 R CA 1.442 57.562 56.100 0.035 0.000 0.968 798 R CB -0.321 29.988 30.300 0.015 0.000 0.861 798 R HN 0.505 nan 8.270 nan 0.000 0.440 799 R N 0.207 120.753 120.500 0.076 0.000 2.081 799 R HA -0.058 4.284 4.340 0.004 0.000 0.235 799 R C 1.902 178.273 176.300 0.118 0.000 1.131 799 R CA 1.213 57.371 56.100 0.095 0.000 0.960 799 R CB -0.269 30.099 30.300 0.113 0.000 0.856 799 R HN 0.223 nan 8.270 nan 0.000 0.436 800 N N 0.611 119.405 118.700 0.157 0.000 2.309 800 N HA -0.093 4.649 4.740 0.004 0.000 0.182 800 N C 0.990 176.572 175.510 0.120 0.000 1.018 800 N CA 0.921 54.069 53.050 0.163 0.000 0.876 800 N CB -0.185 38.432 38.487 0.216 0.000 0.972 800 N HN 0.233 nan 8.380 nan 0.000 0.434 801 N N 0.848 119.608 118.700 0.100 0.000 2.412 801 N HA -0.070 4.673 4.740 0.004 0.000 0.184 801 N C -0.270 175.276 175.510 0.060 0.000 1.101 801 N CA 0.206 53.300 53.050 0.074 0.000 0.881 801 N CB 0.030 38.555 38.487 0.063 0.000 0.969 801 N HN 0.192 nan 8.380 nan 0.000 0.459 802 D N 1.490 121.927 120.400 0.062 0.000 2.338 802 D HA 0.102 4.745 4.640 0.004 0.000 0.255 802 D C -1.647 174.682 176.300 0.048 0.000 1.237 802 D CA -1.919 52.111 54.000 0.050 0.000 0.883 802 D CB 1.501 42.330 40.800 0.049 0.000 1.087 802 D HN 0.029 nan 8.370 nan 0.000 0.485 803 P HA -0.109 nan 4.420 nan 0.000 0.222 803 P C 1.151 178.472 177.300 0.035 0.000 1.147 803 P CA 0.805 63.928 63.100 0.038 0.000 0.790 803 P CB 0.140 31.858 31.700 0.032 0.000 0.780 804 S N -1.312 114.408 115.700 0.032 0.000 2.561 804 S HA 0.032 4.504 4.470 0.004 0.000 0.225 804 S C 1.409 176.027 174.600 0.030 0.000 0.977 804 S CA 0.452 58.668 58.200 0.028 0.000 0.926 804 S CB -1.115 62.100 63.200 0.025 0.000 0.769 804 S HN 0.117 nan 8.310 nan 0.000 0.533 805 L N 0.875 122.121 121.223 0.039 0.000 2.700 805 L HA 0.276 4.619 4.340 0.004 0.000 0.234 805 L C 2.587 179.487 176.870 0.050 0.000 1.156 805 L CA -0.076 54.790 54.840 0.043 0.000 0.946 805 L CB -0.176 41.916 42.059 0.055 0.000 1.216 805 L HN 0.322 nan 8.230 nan 0.000 0.493 806 Q N 1.262 121.090 119.800 0.047 0.000 2.119 806 Q HA -0.139 4.203 4.340 0.004 0.000 0.201 806 Q C 1.967 177.998 176.000 0.051 0.000 0.972 806 Q CA 1.912 57.748 55.803 0.055 0.000 0.847 806 Q CB 0.027 28.794 28.738 0.048 0.000 0.903 806 Q HN 0.510 nan 8.270 nan 0.000 0.433 807 G N 0.765 109.586 108.800 0.036 0.000 2.422 807 G HA2 -0.248 3.714 3.960 0.004 0.000 0.218 807 G HA3 -0.248 3.714 3.960 0.004 0.000 0.218 807 G C 1.304 176.218 174.900 0.024 0.000 1.146 807 G CA 0.867 45.984 45.100 0.028 0.000 0.769 807 G HN 0.349 nan 8.290 nan 0.000 0.547 808 N N -0.288 118.422 118.700 0.016 0.000 2.432 808 N HA 0.086 4.828 4.740 0.004 0.000 0.174 808 N C 2.191 177.721 175.510 0.033 0.000 1.037 808 N CA 0.164 53.214 53.050 -0.001 0.000 0.892 808 N CB -0.025 38.440 38.487 -0.037 0.000 1.049 808 N HN 0.265 nan 8.380 nan 0.000 0.442 809 R N -0.356 120.186 120.500 0.071 0.000 2.210 809 R HA 0.210 4.552 4.340 0.004 0.000 0.203 809 R C 0.795 177.204 176.300 0.182 0.000 1.010 809 R CA 0.580 56.760 56.100 0.132 0.000 1.008 809 R CB 0.328 30.716 30.300 0.146 0.000 0.923 809 R HN 0.083 nan 8.270 nan 0.000 0.469 810 L N -1.620 119.686 121.223 0.137 0.000 2.641 810 L HA 0.322 4.664 4.340 0.004 0.000 0.207 810 L C 0.920 177.864 176.870 0.123 0.000 1.049 810 L CA 0.978 55.902 54.840 0.139 0.000 0.866 810 L CB 0.191 42.313 42.059 0.105 0.000 1.264 810 L HN 0.292 nan 8.230 nan 0.000 0.483 811 G N 0.361 109.218 108.800 0.094 0.000 2.796 811 G HA2 -0.213 3.750 3.960 0.004 0.000 0.226 811 G HA3 -0.213 3.750 3.960 0.004 0.000 0.226 811 G C -2.052 172.891 174.900 0.071 0.000 1.381 811 G CA -0.134 45.015 45.100 0.082 0.000 0.867 811 G HN 0.106 nan 8.290 nan 0.000 0.552 812 P HA -0.001 nan 4.420 nan 0.000 0.229 812 P C 1.912 179.245 177.300 0.055 0.000 1.160 812 P CA 1.919 65.049 63.100 0.050 0.000 0.777 812 P CB -0.274 31.448 31.700 0.037 0.000 0.814 813 V N -4.087 115.873 119.914 0.078 0.000 3.305 813 V HA -0.036 4.086 4.120 0.004 0.000 0.269 813 V C 0.742 176.866 176.094 0.050 0.000 1.157 813 V CA 0.478 62.822 62.300 0.073 0.000 1.157 813 V CB -1.489 30.397 31.823 0.104 0.000 0.772 813 V HN 0.016 nan 8.190 nan 0.000 0.498 814 Q N -0.223 119.612 119.800 0.059 0.000 2.439 814 Q HA -0.205 4.137 4.340 0.004 0.000 0.325 814 Q C -0.419 175.613 176.000 0.053 0.000 1.372 814 Q CA 0.926 56.762 55.803 0.055 0.000 0.909 814 Q CB -1.552 27.209 28.738 0.039 0.000 1.167 814 Q HN 0.683 nan 8.270 nan 0.000 0.418 815 L N 0.702 121.970 121.223 0.074 0.000 2.366 815 L HA 0.482 4.824 4.340 0.004 0.000 0.266 815 L C -2.458 174.511 176.870 0.166 0.000 1.010 815 L CA -1.909 52.963 54.840 0.052 0.000 0.879 815 L CB 1.424 43.441 42.059 -0.070 0.000 1.228 815 L HN -0.177 nan 8.230 nan 0.000 0.439 816 P HA -0.020 nan 4.420 nan 0.000 0.264 816 P C -1.273 176.191 177.300 0.273 0.000 1.193 816 P CA 0.265 63.480 63.100 0.192 0.000 0.763 816 P CB 0.002 31.776 31.700 0.123 0.000 0.810 817 Y N 3.718 124.114 120.300 0.160 0.000 2.674 817 Y HA 0.106 4.658 4.550 0.004 0.000 0.354 817 Y C 1.139 176.961 175.900 -0.130 0.000 1.089 817 Y CA 0.748 58.908 58.100 0.100 0.000 1.444 817 Y CB -0.188 38.354 38.460 0.136 0.000 1.187 817 Y HN 0.361 nan 8.280 nan 0.000 0.523 818 T N 1.468 115.566 114.554 -0.759 0.000 3.132 818 T HA 0.130 4.482 4.350 0.004 0.000 0.274 818 T C 1.354 175.477 174.700 -0.962 0.000 1.011 818 T CA -0.132 61.323 62.100 -1.076 0.000 0.899 818 T CB -0.310 67.874 68.868 -1.140 0.000 1.089 818 T HN 0.630 nan 8.240 nan 0.000 0.543 819 L N 0.212 120.687 121.223 -1.247 0.000 2.265 819 L HA 0.207 4.549 4.340 0.004 0.000 0.215 819 L C 1.685 178.350 176.870 -0.340 0.000 1.117 819 L CA 1.178 55.509 54.840 -0.849 0.000 0.782 819 L CB -0.203 41.350 42.059 -0.843 0.000 0.914 819 L HN 0.347 nan 8.230 nan 0.000 0.441 820 L N -1.473 119.616 121.223 -0.223 0.000 2.910 820 L HA 0.152 4.494 4.340 0.004 0.000 0.252 820 L C -0.332 176.628 176.870 0.150 0.000 1.195 820 L CA -0.589 54.279 54.840 0.048 0.000 1.003 820 L CB 0.134 42.295 42.059 0.171 0.000 1.328 820 L HN 0.002 nan 8.230 nan 0.000 0.540 821 Y N 1.085 121.313 120.300 -0.120 0.000 2.632 821 Y HA 0.064 4.616 4.550 0.003 0.000 0.329 821 Y C -1.247 174.589 175.900 -0.107 0.000 1.174 821 Y CA -2.552 55.486 58.100 -0.102 0.000 1.469 821 Y CB 0.123 38.510 38.460 -0.122 0.000 1.242 821 Y HN -0.014 nan 8.280 nan 0.000 0.540 822 P HA -0.109 nan 4.420 nan 0.000 0.218 822 P C -0.020 177.193 177.300 -0.145 0.000 1.149 822 P CA 1.392 64.462 63.100 -0.050 0.000 0.817 822 P CB 0.272 31.903 31.700 -0.115 0.000 0.785 823 S N -2.183 113.387 115.700 -0.216 0.000 2.593 823 S HA 0.686 5.159 4.470 0.004 0.000 0.297 823 S C -0.272 174.065 174.600 -0.438 0.000 1.112 823 S CA -0.520 57.416 58.200 -0.439 0.000 1.043 823 S CB 1.716 64.718 63.200 -0.330 0.000 1.054 823 S HN -0.061 nan 8.310 nan 0.000 0.516 824 S N 0.403 115.653 115.700 -0.750 0.000 2.547 824 S HA 0.422 4.894 4.470 0.004 0.000 0.270 824 S C -1.273 173.100 174.600 -0.378 0.000 1.150 824 S CA -0.688 57.244 58.200 -0.447 0.000 0.850 824 S CB 1.268 64.244 63.200 -0.374 0.000 1.118 824 S HN 0.782 nan 8.310 nan 0.000 0.461 825 E N 1.908 122.023 120.200 -0.141 0.000 2.376 825 E HA 0.173 4.525 4.350 0.004 0.000 0.254 825 E C 0.363 176.989 176.600 0.043 0.000 1.213 825 E CA -0.390 55.982 56.400 -0.045 0.000 0.945 825 E CB 0.279 29.975 29.700 -0.006 0.000 1.057 825 E HN 0.811 nan 8.360 nan 0.000 0.479 826 E N -0.296 119.954 120.200 0.082 0.000 2.438 826 E HA 0.275 4.627 4.350 0.004 0.000 0.261 826 E C 0.576 177.257 176.600 0.134 0.000 1.103 826 E CA 0.051 56.529 56.400 0.130 0.000 0.959 826 E CB 0.304 30.060 29.700 0.094 0.000 0.958 826 E HN 0.620 nan 8.360 nan 0.000 0.447 827 G N 0.880 109.772 108.800 0.154 0.000 2.548 827 G HA2 -0.209 3.753 3.960 0.004 0.000 0.208 827 G HA3 -0.209 3.753 3.960 0.004 0.000 0.208 827 G C -0.886 174.090 174.900 0.128 0.000 1.308 827 G CA -0.329 44.840 45.100 0.115 0.000 0.924 827 G HN 0.698 nan 8.290 nan 0.000 0.540 828 L N 2.165 123.449 121.223 0.103 0.000 2.397 828 L HA 0.532 4.875 4.340 0.004 0.000 0.263 828 L C 1.796 178.800 176.870 0.223 0.000 1.136 828 L CA 0.474 55.392 54.840 0.130 0.000 1.019 828 L CB 0.263 42.364 42.059 0.069 0.000 1.352 828 L HN 1.010 nan 8.230 nan 0.000 0.420 829 T N -0.577 114.101 114.554 0.207 0.000 2.985 829 T HA 0.065 4.417 4.350 0.004 0.000 0.254 829 T C 0.809 175.615 174.700 0.176 0.000 1.021 829 T CA -0.196 62.032 62.100 0.214 0.000 0.957 829 T CB -0.036 68.937 68.868 0.175 0.000 1.047 829 T HN 0.387 nan 8.240 nan 0.000 0.511 830 F N 2.612 122.489 119.950 -0.123 0.000 3.057 830 F HA -0.245 4.284 4.527 0.003 0.000 0.287 830 F C 0.159 175.829 175.800 -0.217 0.000 0.834 830 F CA 0.899 58.733 58.000 -0.277 0.000 1.147 830 F CB -1.321 37.255 39.000 -0.707 0.000 1.245 830 F HN 0.737 nan 8.300 nan 0.000 0.509 831 R N -0.453 119.966 120.500 -0.135 0.000 2.728 831 R HA 0.709 5.051 4.340 0.004 0.000 0.274 831 R C 0.031 176.320 176.300 -0.018 0.000 1.030 831 R CA -0.852 55.134 56.100 -0.190 0.000 0.876 831 R CB 1.185 31.357 30.300 -0.214 0.000 1.259 831 R HN 1.326 nan 8.270 nan 0.000 0.468 832 G N 0.774 109.543 108.800 -0.051 0.000 3.209 832 G HA2 0.005 3.968 3.960 0.004 0.000 0.686 832 G HA3 0.005 3.968 3.960 0.004 0.000 0.686 832 G C -0.874 174.056 174.900 0.051 0.000 1.065 832 G CA -0.550 44.502 45.100 -0.082 0.000 0.812 832 G HN 0.545 nan 8.290 nan 0.000 0.573 833 I N 4.365 125.026 120.570 0.151 0.000 2.428 833 I HA 0.260 4.432 4.170 0.004 0.000 0.279 833 I C -2.090 174.167 176.117 0.234 0.000 1.040 833 I CA -2.202 59.213 61.300 0.190 0.000 1.171 833 I CB 2.051 40.138 38.000 0.145 0.000 1.312 833 I HN 0.197 nan 8.210 nan 0.000 0.470 834 P HA 0.148 nan 4.420 nan 0.000 0.272 834 P C 0.310 177.678 177.300 0.112 0.000 1.240 834 P CA -0.267 62.817 63.100 -0.026 0.000 0.791 834 P CB 0.754 32.477 31.700 0.037 0.000 0.978 835 N N -0.911 117.819 118.700 0.050 0.000 2.309 835 N HA -0.047 4.696 4.740 0.004 0.000 0.182 835 N C 0.585 176.245 175.510 0.250 0.000 1.018 835 N CA 0.989 54.122 53.050 0.137 0.000 0.876 835 N CB -0.115 38.286 38.487 -0.143 0.000 0.972 835 N HN 0.522 nan 8.380 nan 0.000 0.434 836 S N -1.050 114.731 115.700 0.136 0.000 2.704 836 S HA 0.534 5.006 4.470 0.004 0.000 0.296 836 S C -0.241 174.372 174.600 0.022 0.000 1.138 836 S CA -0.864 57.405 58.200 0.115 0.000 0.875 836 S CB 1.355 64.604 63.200 0.082 0.000 1.151 836 S HN 0.012 nan 8.310 nan 0.000 0.500 837 I N 3.009 123.490 120.570 -0.148 0.000 2.349 837 I HA 0.137 4.309 4.170 0.004 0.000 0.302 837 I C 1.049 177.007 176.117 -0.265 0.000 1.180 837 I CA -0.137 60.819 61.300 -0.574 0.000 1.405 837 I CB 0.126 37.683 38.000 -0.737 0.000 1.474 837 I HN 0.829 nan 8.210 nan 0.000 0.632 838 S N 4.666 120.327 115.700 -0.066 0.000 2.559 838 S HA 0.360 4.832 4.470 0.004 0.000 0.226 838 S C 0.147 174.853 174.600 0.178 0.000 1.000 838 S CA -0.255 58.001 58.200 0.093 0.000 0.948 838 S CB 0.416 63.697 63.200 0.135 0.000 0.870 838 S HN 0.440 nan 8.310 nan 0.000 0.497 839 I N 0.000 120.708 120.570 0.231 0.000 2.984 839 I HA 0.000 4.172 4.170 0.004 0.000 0.288 839 I CA 0.000 61.473 61.300 0.288 0.000 1.566 839 I CB 0.000 38.166 38.000 0.277 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494