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 3drk_1_A DATA FIRST_RESID 14 DATA SEQUENCE LKAGNFDVAY QNPDKAIKGG NLKVAYQSDS PMKAQWLSGL SNDATFATMS DATA SEQUENCE GPGGGQDGLF FTDSGFKFIK GGAADVALDK ESKTATITLR KDLKWSDGSE DATA SEQUENCE VTAKDYEFTY ETIANPAYGS DRWTDSLANI VGLSDYHTGK AKTISGITFP DATA SEQUENCE DGENGKVIKV QFKEMKPGMT QSGNGYFLET VAPYQYLKDV APKDLASSPK DATA SEQUENCE TTTKPLVTGP FKPENVVAGE SIKYVPNPYY WGEKPKLNSI TYEVVSTAKS DATA SEQUENCE VAALSSSKYD IINGMVSSQY KQVKNLKGYK VLGQQAMYIS LMYYNLGHYD DATA SEQUENCE AKNSINVQDR KTPLQDQNVR QAIGYARNVA EVDNKFSNGL STPANSLIPP DATA SEQUENCE IFKQFTSSSV KGYEKQDLDK ANKLLDEDGW KLNKSTGYRE KDGKELSLVY DATA SEQUENCE AARVGDANAE TIAQNYIQQW KKIGVKVSLY NGKLMEFNSW VDHMTTPPGA DATA SEQUENCE NDWDITDGSW SLASEPSQQD LFSAAAPYNF GHFNDSEITK DLNDIDSAKS DATA SEQUENCE ENPTYRKAAF VKYQEDMNKK AYVIPTNFML NYTPVNKRVV GMTLDYGAMN DATA SEQUENCE TWSEIGVSS 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 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.870 176.870 -0.000 0.000 1.165 14 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 14 L CB 0.000 42.037 42.059 -0.037 0.000 0.961 15 K N 2.044 122.448 120.400 0.007 0.000 2.340 15 K HA 0.905 4.675 4.320 -0.917 0.000 0.244 15 K C -0.895 175.726 176.600 0.034 0.000 0.973 15 K CA -0.809 55.498 56.287 0.032 0.000 0.828 15 K CB 2.876 35.397 32.500 0.035 0.000 1.226 15 K HN 0.584 nan 8.250 nan 0.000 0.437 16 A N 0.935 123.799 122.820 0.073 0.000 2.375 16 A HA 0.632 4.402 4.320 -0.917 0.000 0.291 16 A C 0.533 178.210 177.584 0.155 0.000 1.160 16 A CA 0.141 52.218 52.037 0.068 0.000 0.747 16 A CB 0.650 19.656 19.000 0.010 0.000 1.170 16 A HN 0.822 nan 8.150 nan 0.000 0.458 17 G N 2.547 111.422 108.800 0.125 0.000 2.634 17 G HA2 -0.346 3.064 3.960 -0.917 0.000 0.309 17 G HA3 -0.346 3.064 3.960 -0.917 0.000 0.309 17 G C 0.607 175.575 174.900 0.113 0.000 1.265 17 G CA 0.560 45.746 45.100 0.144 0.000 0.998 17 G HN 0.834 nan 8.290 nan 0.000 0.551 18 N N 0.585 119.331 118.700 0.077 0.000 2.383 18 N HA 0.170 4.360 4.740 -0.917 0.000 0.192 18 N C 0.192 175.636 175.510 -0.110 0.000 1.141 18 N CA 0.387 53.406 53.050 -0.051 0.000 0.851 18 N CB 0.037 38.437 38.487 -0.144 0.000 0.976 18 N HN 0.305 nan 8.380 nan 0.000 0.465 19 F N 1.228 121.172 119.950 -0.009 0.000 2.379 19 F HA 0.189 4.168 4.527 -0.914 0.000 0.332 19 F C 0.955 176.752 175.800 -0.006 0.000 1.096 19 F CA -0.694 57.302 58.000 -0.006 0.000 1.105 19 F CB 0.874 39.862 39.000 -0.020 0.000 1.189 19 F HN -0.213 nan 8.300 nan 0.000 0.515 20 D N 1.615 122.128 120.400 0.188 0.000 2.302 20 D HA 0.161 4.251 4.640 -0.917 0.000 0.248 20 D C 0.862 177.224 176.300 0.104 0.000 1.094 20 D CA -0.036 54.032 54.000 0.114 0.000 0.897 20 D CB 2.032 42.887 40.800 0.092 0.000 1.200 20 D HN 0.223 nan 8.370 nan 0.000 0.429 21 V N 0.801 120.739 119.914 0.040 0.000 2.725 21 V HA 0.073 3.643 4.120 -0.917 0.000 0.247 21 V C 0.821 176.903 176.094 -0.020 0.000 1.058 21 V CA 1.037 63.326 62.300 -0.018 0.000 1.080 21 V CB -0.070 31.716 31.823 -0.062 0.000 0.713 21 V HN 0.625 nan 8.190 nan 0.000 0.465 22 A N -1.230 121.596 122.820 0.010 0.000 2.355 22 A HA 0.656 4.426 4.320 -0.917 0.000 0.324 22 A C -1.328 176.322 177.584 0.110 0.000 1.117 22 A CA -0.428 51.623 52.037 0.023 0.000 0.785 22 A CB 0.939 19.930 19.000 -0.014 0.000 1.254 22 A HN 0.220 nan 8.150 nan 0.000 0.453 23 Y N 1.639 121.923 120.300 -0.027 0.000 2.518 23 Y HA 0.386 4.384 4.550 -0.920 0.000 0.344 23 Y C -0.001 175.884 175.900 -0.025 0.000 0.982 23 Y CA -0.751 57.339 58.100 -0.015 0.000 1.234 23 Y CB 0.541 38.995 38.460 -0.011 0.000 1.114 23 Y HN 0.670 nan 8.280 nan 0.000 0.515 24 Q N 5.347 125.078 119.800 -0.114 0.000 2.452 24 Q HA 0.097 3.886 4.340 -0.917 0.000 0.230 24 Q C -0.198 175.519 176.000 -0.471 0.000 1.180 24 Q CA -0.224 55.432 55.803 -0.244 0.000 0.914 24 Q CB 0.109 28.790 28.738 -0.094 0.000 1.408 24 Q HN 0.536 nan 8.270 nan 0.000 0.520 25 N N 3.409 121.640 118.700 -0.781 0.000 2.497 25 N HA 0.053 4.243 4.740 -0.917 0.000 0.268 25 N C -1.625 173.715 175.510 -0.283 0.000 1.171 25 N CA -1.259 51.372 53.050 -0.699 0.000 0.948 25 N CB 1.077 39.186 38.487 -0.631 0.000 1.069 25 N HN 0.354 nan 8.380 nan 0.000 0.460 26 P HA 0.153 nan 4.420 nan 0.000 0.251 26 P C -0.757 176.499 177.300 -0.072 0.000 1.223 26 P CA 0.318 63.364 63.100 -0.091 0.000 0.796 26 P CB 0.556 32.228 31.700 -0.047 0.000 1.068 27 D N 0.791 121.145 120.400 -0.077 0.000 2.175 27 D HA 0.232 4.322 4.640 -0.917 0.000 0.248 27 D C 0.315 176.581 176.300 -0.056 0.000 1.047 27 D CA -0.260 53.710 54.000 -0.050 0.000 0.883 27 D CB 1.290 42.072 40.800 -0.031 0.000 1.180 27 D HN -0.245 nan 8.370 nan 0.000 0.438 28 K N 0.394 120.770 120.400 -0.039 0.000 2.202 28 K HA 0.493 4.263 4.320 -0.917 0.000 0.264 28 K C -0.142 176.441 176.600 -0.029 0.000 1.010 28 K CA -0.537 55.729 56.287 -0.036 0.000 0.940 28 K CB 0.639 33.124 32.500 -0.025 0.000 0.983 28 K HN 0.468 nan 8.250 nan 0.000 0.475 29 A N 3.178 125.982 122.820 -0.026 0.000 2.425 29 A HA 0.323 4.093 4.320 -0.917 0.000 0.249 29 A C 0.510 178.091 177.584 -0.005 0.000 1.084 29 A CA -0.500 51.529 52.037 -0.013 0.000 0.781 29 A CB -0.486 18.509 19.000 -0.010 0.000 1.019 29 A HN 0.776 nan 8.150 nan 0.000 0.490 30 I N -1.051 119.521 120.570 0.003 0.000 3.079 30 I HA 0.354 3.973 4.170 -0.917 0.000 0.295 30 I C 0.022 176.146 176.117 0.012 0.000 1.094 30 I CA -0.668 60.636 61.300 0.007 0.000 1.295 30 I CB 0.527 38.533 38.000 0.009 0.000 1.443 30 I HN 0.524 nan 8.210 nan 0.000 0.607 31 K N 3.299 123.705 120.400 0.011 0.000 2.339 31 K HA 0.513 4.283 4.320 -0.917 0.000 0.286 31 K C 0.362 176.974 176.600 0.021 0.000 1.050 31 K CA 0.630 56.925 56.287 0.014 0.000 0.956 31 K CB 0.695 33.200 32.500 0.008 0.000 0.990 31 K HN 1.006 nan 8.250 nan 0.000 0.475 32 G N 1.663 110.481 108.800 0.031 0.000 2.568 32 G HA2 0.190 3.600 3.960 -0.917 0.000 0.222 32 G HA3 0.190 3.600 3.960 -0.917 0.000 0.222 32 G C 0.042 174.975 174.900 0.054 0.000 1.321 32 G CA -0.539 44.587 45.100 0.043 0.000 0.893 32 G HN 1.184 nan 8.290 nan 0.000 0.569 33 G N -1.224 107.610 108.800 0.057 0.000 2.555 33 G HA2 0.445 3.855 3.960 -0.917 0.000 0.686 33 G HA3 0.445 3.855 3.960 -0.917 0.000 0.686 33 G C -0.796 174.148 174.900 0.073 0.000 1.275 33 G CA 0.492 45.625 45.100 0.056 0.000 0.871 33 G HN 2.386 nan 8.290 nan 0.000 0.603 34 N N -1.058 117.680 118.700 0.063 0.000 2.314 34 N HA 0.690 4.880 4.740 -0.917 0.000 0.294 34 N C -0.810 174.735 175.510 0.057 0.000 1.029 34 N CA -0.747 52.344 53.050 0.068 0.000 0.845 34 N CB 1.764 40.288 38.487 0.061 0.000 1.321 34 N HN 0.894 nan 8.380 nan 0.000 0.481 35 L N 2.495 123.748 121.223 0.051 0.000 2.317 35 L HA 0.582 4.372 4.340 -0.917 0.000 0.281 35 L C -0.883 176.009 176.870 0.037 0.000 1.024 35 L CA -0.386 54.479 54.840 0.042 0.000 0.810 35 L CB 0.957 43.041 42.059 0.041 0.000 1.240 35 L HN 0.549 nan 8.230 nan 0.000 0.427 36 K N 5.171 125.608 120.400 0.061 0.000 2.449 36 K HA 0.593 4.363 4.320 -0.917 0.000 0.257 36 K C -1.398 175.260 176.600 0.097 0.000 0.989 36 K CA -0.687 55.668 56.287 0.113 0.000 0.916 36 K CB 1.811 34.414 32.500 0.173 0.000 1.136 36 K HN 0.334 nan 8.250 nan 0.000 0.439 37 V N 1.451 121.320 119.914 -0.075 0.000 2.715 37 V HA 0.775 4.345 4.120 -0.917 0.000 0.310 37 V C -0.300 175.550 176.094 -0.406 0.000 1.054 37 V CA -0.932 61.172 62.300 -0.326 0.000 0.928 37 V CB 1.673 33.031 31.823 -0.775 0.000 1.007 37 V HN 0.893 nan 8.190 nan 0.000 0.437 38 A N 2.677 125.230 122.820 -0.444 0.000 2.423 38 A HA 0.824 4.593 4.320 -0.917 0.000 0.304 38 A C -1.838 175.769 177.584 0.038 0.000 1.104 38 A CA -0.590 51.228 52.037 -0.365 0.000 0.757 38 A CB 1.496 19.881 19.000 -1.025 0.000 1.313 38 A HN 0.801 nan 8.150 nan 0.000 0.423 39 Y N 0.724 121.074 120.300 0.083 0.000 2.335 39 Y HA 0.443 4.468 4.550 -0.876 0.000 0.338 39 Y C 0.522 176.402 175.900 -0.033 0.000 0.977 39 Y CA -0.079 58.054 58.100 0.055 0.000 1.114 39 Y CB 1.504 39.991 38.460 0.046 0.000 1.182 39 Y HN 0.763 nan 8.280 nan 0.000 0.463 40 Q N 4.278 123.864 119.800 -0.357 0.000 2.281 40 Q HA 0.336 4.125 4.340 -0.917 0.000 0.267 40 Q C -1.098 174.886 176.000 -0.026 0.000 1.053 40 Q CA 0.225 55.917 55.803 -0.185 0.000 0.905 40 Q CB 0.420 29.014 28.738 -0.239 0.000 1.195 40 Q HN 0.633 nan 8.270 nan 0.000 0.398 41 S N 3.163 118.906 115.700 0.071 0.000 2.543 41 S HA 0.203 4.123 4.470 -0.917 0.000 0.273 41 S C -0.828 173.805 174.600 0.054 0.000 1.152 41 S CA -0.782 57.480 58.200 0.102 0.000 0.910 41 S CB 1.213 64.518 63.200 0.176 0.000 1.105 41 S HN 0.755 nan 8.310 nan 0.000 0.465 42 D N 1.999 122.421 120.400 0.035 0.000 2.328 42 D HA 0.142 4.231 4.640 -0.917 0.000 0.221 42 D C 0.198 176.512 176.300 0.024 0.000 1.072 42 D CA 0.311 54.326 54.000 0.025 0.000 0.850 42 D CB 0.722 41.530 40.800 0.013 0.000 0.922 42 D HN 0.325 nan 8.370 nan 0.000 0.516 43 S N 0.967 116.685 115.700 0.029 0.000 2.536 43 S HA 0.521 4.440 4.470 -0.917 0.000 0.298 43 S C -2.723 171.891 174.600 0.022 0.000 1.083 43 S CA -1.540 56.673 58.200 0.022 0.000 0.995 43 S CB 1.877 65.086 63.200 0.015 0.000 1.058 43 S HN -0.295 nan 8.310 nan 0.000 0.488 44 P HA 0.099 nan 4.420 nan 0.000 0.267 44 P C -0.036 177.262 177.300 -0.003 0.000 1.200 44 P CA -0.183 62.923 63.100 0.010 0.000 0.772 44 P CB 0.191 31.892 31.700 0.002 0.000 0.855 45 M N 1.818 121.416 119.600 -0.003 0.000 2.252 45 M HA 0.144 4.074 4.480 -0.917 0.000 0.333 45 M C -0.166 176.103 176.300 -0.053 0.000 1.111 45 M CA 0.437 55.728 55.300 -0.016 0.000 1.140 45 M CB 0.389 32.996 32.600 0.011 0.000 1.538 45 M HN -0.029 nan 8.290 nan 0.000 0.448 46 K N 3.812 124.154 120.400 -0.096 0.000 2.521 46 K HA 0.562 4.332 4.320 -0.917 0.000 0.248 46 K C -1.318 174.974 176.600 -0.513 0.000 0.978 46 K CA -0.198 55.967 56.287 -0.204 0.000 0.947 46 K CB 1.200 33.609 32.500 -0.150 0.000 1.165 46 K HN 0.751 nan 8.250 nan 0.000 0.445 47 A N 3.714 126.140 122.820 -0.658 0.000 2.491 47 A HA 0.387 4.157 4.320 -0.917 0.000 0.261 47 A C -0.563 176.415 177.584 -1.011 0.000 1.101 47 A CA 0.178 51.405 52.037 -1.350 0.000 0.772 47 A CB 0.137 18.745 19.000 -0.654 0.000 1.043 47 A HN 0.610 nan 8.150 nan 0.000 0.501 48 Q N 2.507 121.496 119.800 -1.352 0.000 2.371 48 Q HA 0.346 4.136 4.340 -0.917 0.000 0.244 48 Q C -1.127 174.678 176.000 -0.326 0.000 0.882 48 Q CA -0.306 55.184 55.803 -0.522 0.000 0.866 48 Q CB 0.253 28.823 28.738 -0.280 0.000 1.399 48 Q HN 0.700 nan 8.270 nan 0.000 0.432 49 W N 3.188 124.513 121.300 0.041 0.000 3.003 49 W HA 0.312 4.515 4.660 -0.763 0.000 0.257 49 W C 0.134 176.759 176.519 0.176 0.000 1.308 49 W CA -0.088 57.384 57.345 0.211 0.000 1.529 49 W CB 0.666 30.245 29.460 0.198 0.000 1.115 49 W HN 0.371 nan 8.180 nan 0.000 0.659 50 L N 1.090 122.463 121.223 0.251 0.000 2.260 50 L HA 0.132 3.922 4.340 -0.917 0.000 0.289 50 L C 1.805 178.736 176.870 0.101 0.000 1.057 50 L CA -0.232 54.708 54.840 0.165 0.000 0.811 50 L CB 1.333 43.445 42.059 0.088 0.000 1.184 50 L HN -0.169 nan 8.230 nan 0.000 0.429 51 S N 3.329 119.092 115.700 0.105 0.000 2.365 51 S HA -0.168 3.752 4.470 -0.917 0.000 0.225 51 S C 1.882 176.495 174.600 0.021 0.000 1.039 51 S CA 2.001 60.241 58.200 0.067 0.000 1.033 51 S CB -0.141 63.099 63.200 0.066 0.000 0.887 51 S HN 0.953 nan 8.310 nan 0.000 0.447 52 G N 0.858 109.650 108.800 -0.013 0.000 2.462 52 G HA2 -0.083 3.327 3.960 -0.917 0.000 0.220 52 G HA3 -0.083 3.327 3.960 -0.917 0.000 0.220 52 G C 1.242 176.138 174.900 -0.007 0.000 1.121 52 G CA 0.804 45.884 45.100 -0.033 0.000 0.758 52 G HN 0.555 nan 8.290 nan 0.000 0.559 53 L N 0.418 121.639 121.223 -0.003 0.000 2.585 53 L HA 0.229 4.019 4.340 -0.917 0.000 0.226 53 L C 1.183 178.055 176.870 0.002 0.000 1.113 53 L CA -0.115 54.732 54.840 0.011 0.000 0.876 53 L CB 0.329 42.398 42.059 0.017 0.000 1.072 53 L HN 0.185 nan 8.230 nan 0.000 0.468 54 S N 0.365 116.066 115.700 0.002 0.000 2.457 54 S HA 0.255 4.175 4.470 -0.917 0.000 0.289 54 S C 0.474 175.075 174.600 0.001 0.000 1.163 54 S CA -0.473 57.721 58.200 -0.011 0.000 1.078 54 S CB 0.560 63.768 63.200 0.013 0.000 0.987 54 S HN 0.332 nan 8.310 nan 0.000 0.482 55 N N 2.899 121.593 118.700 -0.009 0.000 2.171 55 N HA 0.144 4.334 4.740 -0.917 0.000 0.212 55 N C -1.231 174.277 175.510 -0.003 0.000 1.184 55 N CA -0.225 52.826 53.050 0.002 0.000 0.888 55 N CB 0.558 39.050 38.487 0.009 0.000 1.038 55 N HN 0.563 nan 8.380 nan 0.000 0.517 56 D N 0.424 120.816 120.400 -0.013 0.000 2.329 56 D HA 0.383 4.473 4.640 -0.917 0.000 0.232 56 D C 0.741 177.019 176.300 -0.036 0.000 1.088 56 D CA -0.519 53.468 54.000 -0.022 0.000 0.835 56 D CB 1.292 42.073 40.800 -0.032 0.000 1.078 56 D HN 0.116 nan 8.370 nan 0.000 0.495 57 A N 3.010 125.798 122.820 -0.053 0.000 1.933 57 A HA -0.127 3.643 4.320 -0.917 0.000 0.218 57 A C 2.031 179.465 177.584 -0.249 0.000 1.175 57 A CA 1.627 53.607 52.037 -0.096 0.000 0.628 57 A CB -0.660 18.315 19.000 -0.041 0.000 0.814 57 A HN 0.643 nan 8.150 nan 0.000 0.444 58 T N -0.686 113.697 114.554 -0.286 0.000 2.622 58 T HA -0.184 3.616 4.350 -0.917 0.000 0.266 58 T C 1.629 175.999 174.700 -0.551 0.000 1.047 58 T CA 1.783 63.532 62.100 -0.585 0.000 1.159 58 T CB -0.447 68.242 68.868 -0.298 0.000 0.863 58 T HN 0.509 nan 8.240 nan 0.000 0.422 59 F N 2.095 121.803 119.950 -0.403 0.000 2.171 59 F HA 0.014 4.392 4.527 -0.249 0.000 0.300 59 F C 2.418 177.978 175.800 -0.400 0.000 1.090 59 F CA 0.843 58.599 58.000 -0.407 0.000 1.293 59 F CB -0.681 38.102 39.000 -0.362 0.000 1.013 59 F HN 0.147 nan 8.300 nan 0.000 0.486 60 A N -0.333 122.294 122.820 -0.321 0.000 1.892 60 A HA -0.253 3.517 4.320 -0.917 0.000 0.218 60 A C 2.221 179.572 177.584 -0.389 0.000 1.188 60 A CA 2.582 54.435 52.037 -0.307 0.000 0.631 60 A CB -1.499 17.424 19.000 -0.129 0.000 0.822 60 A HN 0.452 nan 8.150 nan 0.000 0.447 61 T N -0.033 114.278 114.554 -0.406 0.000 2.737 61 T HA -0.095 3.704 4.350 -0.917 0.000 0.265 61 T C 1.905 176.342 174.700 -0.438 0.000 1.038 61 T CA 1.679 63.601 62.100 -0.297 0.000 1.144 61 T CB -0.314 68.391 68.868 -0.271 0.000 0.866 61 T HN 0.463 nan 8.240 nan 0.000 0.434 62 M N 1.807 120.926 119.600 -0.801 0.000 2.267 62 M HA -0.082 3.848 4.480 -0.917 0.000 0.263 62 M C 2.436 178.265 176.300 -0.785 0.000 1.063 62 M CA 1.247 55.855 55.300 -1.153 0.000 1.090 62 M CB -0.583 31.376 32.600 -1.070 0.000 1.392 62 M HN 0.316 nan 8.290 nan 0.000 0.422 63 S N 0.065 115.244 115.700 -0.867 0.000 2.555 63 S HA 0.005 3.925 4.470 -0.917 0.000 0.230 63 S C 1.866 176.359 174.600 -0.178 0.000 0.978 63 S CA 0.619 58.501 58.200 -0.529 0.000 0.934 63 S CB -0.910 61.874 63.200 -0.694 0.000 0.766 63 S HN 0.534 nan 8.310 nan 0.000 0.533 64 G N 3.238 111.907 108.800 -0.219 0.000 2.553 64 G HA2 -0.194 3.216 3.960 -0.917 0.000 0.218 64 G HA3 -0.194 3.216 3.960 -0.917 0.000 0.218 64 G C -0.605 173.973 174.900 -0.536 0.000 1.195 64 G CA 1.150 46.188 45.100 -0.103 0.000 0.779 64 G HN 0.575 nan 8.290 nan 0.000 0.577 65 P HA 0.006 nan 4.420 nan 0.000 0.221 65 P C 1.728 178.561 177.300 -0.779 0.000 1.145 65 P CA 1.557 63.648 63.100 -1.682 0.000 0.795 65 P CB -0.383 29.958 31.700 -2.266 0.000 0.775 66 G N -1.564 106.987 108.800 -0.416 0.000 3.026 66 G HA2 0.283 3.692 3.960 -0.917 0.000 0.208 66 G HA3 0.283 3.692 3.960 -0.917 0.000 0.208 66 G C 1.048 176.050 174.900 0.170 0.000 1.169 66 G CA 0.379 45.555 45.100 0.126 0.000 0.788 66 G HN 0.415 nan 8.290 nan 0.000 0.533 67 G N -1.446 107.411 108.800 0.096 0.000 2.184 67 G HA2 0.236 3.646 3.960 -0.917 0.000 0.206 67 G HA3 0.236 3.646 3.960 -0.917 0.000 0.206 67 G C 0.978 176.002 174.900 0.208 0.000 0.995 67 G CA 0.584 45.797 45.100 0.189 0.000 0.651 67 G HN 1.805 nan 8.290 nan 0.000 0.511 68 G N -0.097 108.800 108.800 0.162 0.000 2.295 68 G HA2 0.024 3.434 3.960 -0.917 0.000 0.287 68 G HA3 0.024 3.434 3.960 -0.917 0.000 0.287 68 G C 0.502 175.494 174.900 0.154 0.000 1.055 68 G CA 1.109 46.284 45.100 0.124 0.000 0.922 68 G HN 1.909 nan 8.290 nan 0.000 0.503 69 Q N -1.161 118.776 119.800 0.229 0.000 2.493 69 Q HA -0.168 3.622 4.340 -0.917 0.000 0.278 69 Q C 0.376 176.538 176.000 0.269 0.000 1.216 69 Q CA 0.786 56.755 55.803 0.277 0.000 0.875 69 Q CB -1.145 27.701 28.738 0.181 0.000 1.262 69 Q HN 0.877 nan 8.270 nan 0.000 0.468 70 D N -2.384 118.185 120.400 0.282 0.000 2.716 70 D HA -0.140 3.949 4.640 -0.917 0.000 0.239 70 D C 0.478 176.883 176.300 0.175 0.000 1.125 70 D CA 1.485 55.633 54.000 0.248 0.000 0.681 70 D CB -1.416 39.576 40.800 0.321 0.000 1.070 70 D HN 0.604 nan 8.370 nan 0.000 0.432 71 G N -0.352 108.551 108.800 0.171 0.000 2.441 71 G HA2 0.369 3.778 3.960 -0.917 0.000 0.243 71 G HA3 0.369 3.778 3.960 -0.917 0.000 0.243 71 G C 1.317 176.248 174.900 0.052 0.000 1.281 71 G CA -0.496 44.680 45.100 0.125 0.000 0.854 71 G HN 0.275 nan 8.290 nan 0.000 0.560 72 L N 0.661 121.765 121.223 -0.198 0.000 2.357 72 L HA 0.279 4.068 4.340 -0.917 0.000 0.211 72 L C 0.059 176.690 176.870 -0.398 0.000 1.075 72 L CA 0.190 54.738 54.840 -0.486 0.000 0.830 72 L CB -0.051 41.408 42.059 -0.999 0.000 0.996 72 L HN 0.317 nan 8.230 nan 0.000 0.467 73 F N -0.792 119.300 119.950 0.236 0.000 2.443 73 F HA 0.424 4.404 4.527 -0.912 0.000 0.335 73 F C 0.245 176.375 175.800 0.550 0.000 1.104 73 F CA -1.321 56.839 58.000 0.267 0.000 1.013 73 F CB 0.623 39.718 39.000 0.159 0.000 1.136 73 F HN -0.294 nan 8.300 nan 0.000 0.470 74 F N 0.920 121.117 119.950 0.412 0.000 2.403 74 F HA 0.523 4.498 4.527 -0.920 0.000 0.320 74 F C 0.835 176.866 175.800 0.385 0.000 1.176 74 F CA -0.933 57.275 58.000 0.345 0.000 1.206 74 F CB 1.041 40.199 39.000 0.263 0.000 1.235 74 F HN 0.498 nan 8.300 nan 0.000 0.565 75 T N -1.940 112.860 114.554 0.411 0.000 2.841 75 T HA 0.529 4.328 4.350 -0.917 0.000 0.296 75 T C -0.775 173.997 174.700 0.121 0.000 1.166 75 T CA -0.999 61.262 62.100 0.269 0.000 1.007 75 T CB 2.052 71.046 68.868 0.209 0.000 1.253 75 T HN 0.413 nan 8.240 nan 0.000 0.511 76 D N 0.324 120.750 120.400 0.043 0.000 2.376 76 D HA 0.223 4.313 4.640 -0.917 0.000 0.268 76 D C 1.656 177.854 176.300 -0.172 0.000 1.252 76 D CA 0.046 54.022 54.000 -0.040 0.000 1.041 76 D CB -0.163 40.612 40.800 -0.042 0.000 1.109 76 D HN 0.618 nan 8.370 nan 0.000 0.552 77 S N -2.581 112.993 115.700 -0.210 0.000 2.515 77 S HA 0.092 4.011 4.470 -0.917 0.000 0.231 77 S C 1.682 175.898 174.600 -0.640 0.000 0.987 77 S CA 0.280 58.287 58.200 -0.321 0.000 0.936 77 S CB -0.668 62.416 63.200 -0.195 0.000 0.766 77 S HN 0.698 nan 8.310 nan 0.000 0.528 78 G N -0.411 108.054 108.800 -0.558 0.000 3.393 78 G HA2 0.453 3.862 3.960 -0.917 0.000 0.255 78 G HA3 0.453 3.862 3.960 -0.917 0.000 0.255 78 G C 0.110 174.777 174.900 -0.389 0.000 1.097 78 G CA -0.630 44.120 45.100 -0.584 0.000 0.780 78 G HN 0.414 nan 8.290 nan 0.000 0.540 79 F N -1.175 118.703 119.950 -0.120 0.000 2.884 79 F HA -0.158 3.817 4.527 -0.920 0.000 0.294 79 F C 0.878 176.580 175.800 -0.163 0.000 0.723 79 F CA 0.447 58.379 58.000 -0.113 0.000 1.294 79 F CB -1.805 37.126 39.000 -0.114 0.000 1.551 79 F HN 0.213 nan 8.300 nan 0.000 0.363 80 K N 1.193 121.579 120.400 -0.024 0.000 2.276 80 K HA 0.425 4.194 4.320 -0.917 0.000 0.283 80 K C 0.219 176.831 176.600 0.020 0.000 1.044 80 K CA -0.585 55.672 56.287 -0.051 0.000 0.944 80 K CB 0.417 32.908 32.500 -0.014 0.000 1.012 80 K HN -0.093 nan 8.250 nan 0.000 0.472 81 F N 5.066 125.099 119.950 0.140 0.000 2.607 81 F HA 0.038 4.011 4.527 -0.922 0.000 0.374 81 F C 0.857 176.723 175.800 0.111 0.000 1.104 81 F CA -0.036 58.043 58.000 0.132 0.000 1.296 81 F CB -0.033 39.001 39.000 0.057 0.000 1.085 81 F HN 0.349 nan 8.300 nan 0.000 0.584 82 I N 0.011 120.797 120.570 0.360 0.000 3.206 82 I HA 0.600 4.220 4.170 -0.917 0.000 0.313 82 I C -0.623 175.614 176.117 0.200 0.000 1.103 82 I CA -1.467 59.975 61.300 0.236 0.000 0.985 82 I CB 1.769 39.896 38.000 0.212 0.000 1.240 82 I HN 0.149 nan 8.210 nan 0.000 0.464 83 K N 1.018 121.490 120.400 0.121 0.000 2.090 83 K HA 0.530 4.299 4.320 -0.917 0.000 0.250 83 K C 0.599 177.212 176.600 0.021 0.000 1.004 83 K CA 0.130 56.444 56.287 0.046 0.000 0.919 83 K CB 0.947 33.453 32.500 0.011 0.000 1.045 83 K HN 1.132 nan 8.250 nan 0.000 0.471 84 G N -0.173 108.551 108.800 -0.126 0.000 2.231 84 G HA2 -0.189 3.221 3.960 -0.917 0.000 0.206 84 G HA3 -0.189 3.221 3.960 -0.917 0.000 0.206 84 G C 0.570 175.048 174.900 -0.702 0.000 0.996 84 G CA -0.055 44.905 45.100 -0.235 0.000 0.645 84 G HN 0.833 nan 8.290 nan 0.000 0.498 85 G N -0.134 108.084 108.800 -0.970 0.000 2.489 85 G HA2 0.610 4.020 3.960 -0.917 0.000 0.271 85 G HA3 0.610 4.020 3.960 -0.917 0.000 0.271 85 G C 1.571 175.874 174.900 -0.995 0.000 1.427 85 G CA 1.153 45.379 45.100 -1.456 0.000 1.057 85 G HN 1.248 nan 8.290 nan 0.000 0.532 86 A N -1.101 121.360 122.820 -0.598 0.000 1.986 86 A HA 0.366 4.136 4.320 -0.917 0.000 0.220 86 A C 1.453 178.684 177.584 -0.589 0.000 1.171 86 A CA 2.429 54.057 52.037 -0.682 0.000 0.640 86 A CB -0.597 18.287 19.000 -0.193 0.000 0.811 86 A HN 1.790 nan 8.150 nan 0.000 0.451 87 A N -1.398 121.184 122.820 -0.397 0.000 2.569 87 A HA 0.632 4.401 4.320 -0.917 0.000 0.290 87 A C -1.799 175.778 177.584 -0.013 0.000 1.136 87 A CA -0.699 51.196 52.037 -0.236 0.000 0.710 87 A CB 0.908 19.782 19.000 -0.211 0.000 1.303 87 A HN 0.104 nan 8.150 nan 0.000 0.413 88 D N -0.182 120.220 120.400 0.003 0.000 2.269 88 D HA 0.539 4.629 4.640 -0.917 0.000 0.244 88 D C -1.150 175.112 176.300 -0.063 0.000 0.992 88 D CA -0.116 53.882 54.000 -0.003 0.000 0.894 88 D CB 2.116 42.870 40.800 -0.077 0.000 1.248 88 D HN 0.402 nan 8.370 nan 0.000 0.468 89 V N 0.283 120.016 119.914 -0.302 0.000 2.656 89 V HA 0.799 4.369 4.120 -0.917 0.000 0.307 89 V C -1.321 174.606 176.094 -0.278 0.000 1.051 89 V CA -0.447 61.588 62.300 -0.441 0.000 0.893 89 V CB 1.511 32.757 31.823 -0.962 0.000 0.999 89 V HN 0.709 nan 8.190 nan 0.000 0.426 90 A N 6.744 129.439 122.820 -0.209 0.000 2.374 90 A HA 0.928 4.698 4.320 -0.917 0.000 0.317 90 A C -1.388 176.132 177.584 -0.107 0.000 1.094 90 A CA -0.712 51.254 52.037 -0.119 0.000 0.765 90 A CB 1.553 20.501 19.000 -0.086 0.000 1.268 90 A HN 0.875 nan 8.150 nan 0.000 0.438 91 L N 1.410 122.604 121.223 -0.049 0.000 2.346 91 L HA 0.516 4.305 4.340 -0.917 0.000 0.276 91 L C -1.036 175.830 176.870 -0.006 0.000 1.006 91 L CA -0.699 54.131 54.840 -0.018 0.000 0.817 91 L CB 2.081 44.150 42.059 0.017 0.000 1.272 91 L HN 0.678 nan 8.230 nan 0.000 0.421 92 D N 1.923 122.324 120.400 0.001 0.000 2.469 92 D HA 0.160 4.250 4.640 -0.917 0.000 0.251 92 D C 0.643 176.949 176.300 0.010 0.000 1.173 92 D CA -0.515 53.484 54.000 -0.001 0.000 0.882 92 D CB 1.512 42.304 40.800 -0.013 0.000 1.129 92 D HN 0.586 nan 8.370 nan 0.000 0.549 93 K N 2.319 122.721 120.400 0.004 0.000 2.097 93 K HA -0.065 3.705 4.320 -0.917 0.000 0.205 93 K C 1.120 177.720 176.600 -0.000 0.000 1.050 93 K CA 0.983 57.271 56.287 0.001 0.000 0.938 93 K CB 0.179 32.672 32.500 -0.012 0.000 0.718 93 K HN 0.238 nan 8.250 nan 0.000 0.442 94 E N 0.839 121.036 120.200 -0.005 0.000 2.338 94 E HA -0.086 3.714 4.350 -0.917 0.000 0.197 94 E C 1.396 177.993 176.600 -0.006 0.000 1.007 94 E CA 1.254 57.650 56.400 -0.008 0.000 0.849 94 E CB 0.209 29.903 29.700 -0.011 0.000 0.774 94 E HN 0.573 nan 8.360 nan 0.000 0.506 95 S N -0.336 115.362 115.700 -0.004 0.000 2.539 95 S HA 0.131 4.051 4.470 -0.917 0.000 0.221 95 S C 0.255 174.858 174.600 0.004 0.000 0.987 95 S CA -0.423 57.772 58.200 -0.008 0.000 0.929 95 S CB 0.120 63.309 63.200 -0.020 0.000 0.832 95 S HN 0.082 nan 8.310 nan 0.000 0.492 96 K N 1.776 122.196 120.400 0.032 0.000 3.257 96 K HA -0.134 3.636 4.320 -0.917 0.000 0.270 96 K C -0.446 176.225 176.600 0.118 0.000 0.984 96 K CA 0.992 57.335 56.287 0.093 0.000 0.739 96 K CB -2.630 29.919 32.500 0.081 0.000 1.351 96 K HN 0.795 nan 8.250 nan 0.000 0.463 97 T N -2.853 111.752 114.554 0.086 0.000 2.909 97 T HA 0.719 4.519 4.350 -0.917 0.000 0.299 97 T C -0.430 174.300 174.700 0.051 0.000 1.073 97 T CA -0.550 61.549 62.100 -0.003 0.000 0.999 97 T CB 2.294 71.112 68.868 -0.084 0.000 1.098 97 T HN 0.301 nan 8.240 nan 0.000 0.477 98 A N 2.072 124.889 122.820 -0.005 0.000 2.274 98 A HA 0.676 4.446 4.320 -0.917 0.000 0.309 98 A C 0.234 177.713 177.584 -0.175 0.000 1.226 98 A CA -0.713 51.256 52.037 -0.114 0.000 0.853 98 A CB 0.373 19.228 19.000 -0.241 0.000 1.146 98 A HN 0.864 nan 8.150 nan 0.000 0.518 99 T N 3.479 117.934 114.554 -0.166 0.000 2.788 99 T HA 0.466 4.265 4.350 -0.917 0.000 0.296 99 T C -0.408 174.197 174.700 -0.157 0.000 1.009 99 T CA 0.079 62.096 62.100 -0.138 0.000 0.949 99 T CB 0.074 68.882 68.868 -0.100 0.000 0.946 99 T HN 0.381 nan 8.240 nan 0.000 0.453 100 I N 3.418 123.900 120.570 -0.147 0.000 2.315 100 I HA 0.278 3.898 4.170 -0.917 0.000 0.291 100 I C 0.606 176.654 176.117 -0.115 0.000 1.006 100 I CA -0.079 61.130 61.300 -0.150 0.000 1.265 100 I CB 1.363 39.190 38.000 -0.290 0.000 1.387 100 I HN 0.497 nan 8.210 nan 0.000 0.475 101 T N 7.453 121.950 114.554 -0.095 0.000 2.821 101 T HA 0.537 4.337 4.350 -0.917 0.000 0.307 101 T C 0.071 174.693 174.700 -0.130 0.000 1.034 101 T CA -0.556 61.485 62.100 -0.098 0.000 0.953 101 T CB 0.195 69.008 68.868 -0.092 0.000 0.968 101 T HN 0.224 nan 8.240 nan 0.000 0.462 102 L N 2.898 124.038 121.223 -0.139 0.000 2.426 102 L HA 0.397 4.187 4.340 -0.917 0.000 0.271 102 L C 1.215 177.960 176.870 -0.210 0.000 1.169 102 L CA -0.756 53.972 54.840 -0.187 0.000 0.836 102 L CB 0.357 42.322 42.059 -0.157 0.000 1.112 102 L HN 0.382 nan 8.230 nan 0.000 0.465 103 R N 1.793 122.110 120.500 -0.306 0.000 2.537 103 R HA -0.091 3.698 4.340 -0.917 0.000 0.281 103 R C 1.335 177.510 176.300 -0.207 0.000 0.988 103 R CA 0.169 56.077 56.100 -0.319 0.000 1.077 103 R CB 0.420 30.396 30.300 -0.540 0.000 0.932 103 R HN 0.551 nan 8.270 nan 0.000 0.409 104 K N 2.188 122.496 120.400 -0.153 0.000 2.089 104 K HA -0.217 3.552 4.320 -0.917 0.000 0.210 104 K C 0.480 177.031 176.600 -0.080 0.000 1.048 104 K CA 2.301 58.530 56.287 -0.097 0.000 0.926 104 K CB 0.103 32.560 32.500 -0.071 0.000 0.714 104 K HN 0.654 nan 8.250 nan 0.000 0.448 105 D N 0.473 120.824 120.400 -0.082 0.000 2.525 105 D HA 0.022 4.112 4.640 -0.917 0.000 0.229 105 D C -0.164 176.128 176.300 -0.014 0.000 1.202 105 D CA -0.427 53.557 54.000 -0.026 0.000 0.828 105 D CB -0.178 40.636 40.800 0.022 0.000 1.008 105 D HN 0.096 nan 8.370 nan 0.000 0.493 106 L N 0.860 122.017 121.223 -0.109 0.000 2.361 106 L HA 0.318 4.108 4.340 -0.917 0.000 0.278 106 L C -0.346 176.452 176.870 -0.120 0.000 1.113 106 L CA 0.340 55.114 54.840 -0.109 0.000 0.849 106 L CB 0.192 42.096 42.059 -0.258 0.000 1.155 106 L HN -0.114 nan 8.230 nan 0.000 0.452 107 K N 3.695 124.050 120.400 -0.075 0.000 2.395 107 K HA 0.438 4.208 4.320 -0.917 0.000 0.247 107 K C -1.234 175.253 176.600 -0.190 0.000 0.973 107 K CA -0.586 55.632 56.287 -0.114 0.000 0.828 107 K CB 1.202 33.695 32.500 -0.011 0.000 1.272 107 K HN 0.445 nan 8.250 nan 0.000 0.439 108 W N 0.575 121.869 121.300 -0.010 0.000 2.049 108 W HA -0.005 4.095 4.660 -0.933 0.000 0.356 108 W C 1.623 178.110 176.519 -0.054 0.000 1.323 108 W CA -0.068 57.261 57.345 -0.026 0.000 1.336 108 W CB 0.411 29.820 29.460 -0.085 0.000 1.176 108 W HN 0.730 nan 8.180 nan 0.000 0.623 109 S N -0.329 115.529 115.700 0.264 0.000 2.500 109 S HA -0.230 3.689 4.470 -0.917 0.000 0.239 109 S C 0.862 175.532 174.600 0.116 0.000 0.989 109 S CA 1.416 59.730 58.200 0.190 0.000 0.951 109 S CB -0.466 62.804 63.200 0.117 0.000 0.759 109 S HN 0.628 nan 8.310 nan 0.000 0.523 110 D N -0.403 119.976 120.400 -0.036 0.000 2.363 110 D HA 0.291 4.381 4.640 -0.917 0.000 0.214 110 D C 1.325 177.394 176.300 -0.386 0.000 1.093 110 D CA 0.422 54.352 54.000 -0.117 0.000 0.837 110 D CB -0.277 40.440 40.800 -0.138 0.000 0.948 110 D HN 0.487 nan 8.370 nan 0.000 0.507 111 G N 0.561 108.879 108.800 -0.805 0.000 2.213 111 G HA2 -0.288 3.122 3.960 -0.917 0.000 0.236 111 G HA3 -0.288 3.122 3.960 -0.917 0.000 0.236 111 G C 0.445 175.099 174.900 -0.410 0.000 0.991 111 G CA 0.271 44.651 45.100 -1.200 0.000 0.629 111 G HN 0.746 nan 8.290 nan 0.000 0.517 112 S N 0.787 116.398 115.700 -0.149 0.000 2.585 112 S HA 0.575 4.495 4.470 -0.917 0.000 0.273 112 S C 0.192 174.858 174.600 0.110 0.000 1.339 112 S CA -0.493 57.721 58.200 0.024 0.000 1.028 112 S CB 1.807 65.066 63.200 0.098 0.000 0.906 112 S HN 0.334 nan 8.310 nan 0.000 0.528 113 E N 0.743 121.000 120.200 0.096 0.000 2.383 113 E HA 0.213 4.013 4.350 -0.917 0.000 0.264 113 E C -0.481 176.181 176.600 0.103 0.000 1.050 113 E CA -0.263 56.168 56.400 0.053 0.000 0.896 113 E CB 1.053 30.773 29.700 0.033 0.000 0.982 113 E HN 0.492 nan 8.360 nan 0.000 0.424 114 V N 3.087 122.934 119.914 -0.112 0.000 2.406 114 V HA 0.209 3.779 4.120 -0.917 0.000 0.272 114 V C 0.684 176.774 176.094 -0.007 0.000 1.043 114 V CA -0.237 61.979 62.300 -0.140 0.000 0.915 114 V CB 1.000 32.544 31.823 -0.464 0.000 0.988 114 V HN 0.789 nan 8.190 nan 0.000 0.466 115 T N 1.819 116.435 114.554 0.105 0.000 2.910 115 T HA 0.681 4.481 4.350 -0.917 0.000 0.287 115 T C 1.188 175.923 174.700 0.059 0.000 1.050 115 T CA -0.049 62.081 62.100 0.051 0.000 1.011 115 T CB 1.969 70.855 68.868 0.031 0.000 1.195 115 T HN 0.598 nan 8.240 nan 0.000 0.540 116 A N 0.682 123.490 122.820 -0.020 0.000 1.948 116 A HA -0.086 3.684 4.320 -0.917 0.000 0.220 116 A C 2.196 179.769 177.584 -0.018 0.000 1.177 116 A CA 2.319 54.362 52.037 0.009 0.000 0.636 116 A CB -1.049 17.904 19.000 -0.079 0.000 0.815 116 A HN 0.856 nan 8.150 nan 0.000 0.449 117 K N 0.478 120.750 120.400 -0.213 0.000 2.097 117 K HA -0.147 3.623 4.320 -0.917 0.000 0.206 117 K C 1.216 177.884 176.600 0.115 0.000 1.049 117 K CA 1.881 58.059 56.287 -0.182 0.000 0.933 117 K CB -0.403 31.946 32.500 -0.252 0.000 0.717 117 K HN 0.435 nan 8.250 nan 0.000 0.442 118 D N -0.861 119.684 120.400 0.242 0.000 2.218 118 D HA -0.168 3.922 4.640 -0.917 0.000 0.204 118 D C 1.568 178.147 176.300 0.465 0.000 0.976 118 D CA 0.894 55.151 54.000 0.428 0.000 0.853 118 D CB -0.152 40.989 40.800 0.568 0.000 0.939 118 D HN 0.291 nan 8.370 nan 0.000 0.481 119 Y N 1.665 122.137 120.300 0.287 0.000 2.206 119 Y HA -0.075 3.922 4.550 -0.921 0.000 0.292 119 Y C 2.205 178.352 175.900 0.411 0.000 1.123 119 Y CA 1.183 59.469 58.100 0.310 0.000 1.142 119 Y CB -0.085 38.541 38.460 0.276 0.000 1.006 119 Y HN -0.193 nan 8.280 nan 0.000 0.518 120 E N -0.133 120.286 120.200 0.366 0.000 2.097 120 E HA -0.269 3.531 4.350 -0.917 0.000 0.196 120 E C 2.156 178.922 176.600 0.278 0.000 1.000 120 E CA 1.494 58.061 56.400 0.278 0.000 0.804 120 E CB -0.629 29.302 29.700 0.385 0.000 0.740 120 E HN 0.481 nan 8.360 nan 0.000 0.454 121 F N 1.867 121.874 119.950 0.096 0.000 2.161 121 F HA -0.178 3.798 4.527 -0.917 0.000 0.300 121 F C 2.351 178.175 175.800 0.039 0.000 1.089 121 F CA 1.792 59.829 58.000 0.061 0.000 1.282 121 F CB -0.846 38.222 39.000 0.113 0.000 1.010 121 F HN -0.026 nan 8.300 nan 0.000 0.485 122 T N -0.131 114.431 114.554 0.014 0.000 2.624 122 T HA -0.318 3.482 4.350 -0.917 0.000 0.268 122 T C 1.753 176.307 174.700 -0.243 0.000 1.041 122 T CA 2.310 64.303 62.100 -0.179 0.000 1.159 122 T CB -0.898 67.874 68.868 -0.160 0.000 0.863 122 T HN 0.348 nan 8.240 nan 0.000 0.434 123 Y N 1.617 121.821 120.300 -0.161 0.000 2.151 123 Y HA -0.150 3.853 4.550 -0.911 0.000 0.284 123 Y C 2.621 178.499 175.900 -0.037 0.000 1.166 123 Y CA 1.324 59.368 58.100 -0.092 0.000 1.163 123 Y CB -0.362 38.030 38.460 -0.114 0.000 0.974 123 Y HN 0.381 nan 8.280 nan 0.000 0.511 124 E N -0.651 119.587 120.200 0.064 0.000 2.110 124 E HA -0.195 3.605 4.350 -0.917 0.000 0.193 124 E C 2.273 178.815 176.600 -0.097 0.000 0.988 124 E CA 1.797 58.278 56.400 0.136 0.000 0.804 124 E CB -0.399 29.453 29.700 0.253 0.000 0.745 124 E HN 0.603 nan 8.360 nan 0.000 0.458 125 T N -0.358 113.857 114.554 -0.564 0.000 2.803 125 T HA -0.131 3.669 4.350 -0.917 0.000 0.269 125 T C 1.916 176.483 174.700 -0.221 0.000 1.052 125 T CA 0.983 62.605 62.100 -0.797 0.000 1.136 125 T CB -0.242 68.174 68.868 -0.754 0.000 0.864 125 T HN 0.089 nan 8.240 nan 0.000 0.467 126 I N 0.719 121.256 120.570 -0.055 0.000 2.731 126 I HA 0.249 3.869 4.170 -0.917 0.000 0.260 126 I C 3.032 179.300 176.117 0.252 0.000 1.138 126 I CA 0.727 62.084 61.300 0.094 0.000 1.461 126 I CB -0.289 37.745 38.000 0.058 0.000 1.128 126 I HN 0.325 nan 8.210 nan 0.000 0.438 127 A N 0.241 123.256 122.820 0.325 0.000 1.984 127 A HA -0.016 3.754 4.320 -0.917 0.000 0.214 127 A C 1.203 179.014 177.584 0.379 0.000 1.173 127 A CA 0.482 52.759 52.037 0.400 0.000 0.673 127 A CB -0.305 19.036 19.000 0.568 0.000 0.830 127 A HN 0.366 nan 8.150 nan 0.000 0.453 128 N N 0.591 119.534 118.700 0.405 0.000 2.406 128 N HA 0.225 4.415 4.740 -0.917 0.000 0.251 128 N C -2.256 173.385 175.510 0.219 0.000 1.069 128 N CA -2.176 51.014 53.050 0.235 0.000 0.947 128 N CB 1.256 39.989 38.487 0.410 0.000 1.111 128 N HN -0.091 nan 8.380 nan 0.000 0.497 129 P HA -0.108 nan 4.420 nan 0.000 0.220 129 P C 0.786 178.093 177.300 0.011 0.000 1.144 129 P CA 0.996 64.113 63.100 0.029 0.000 0.800 129 P CB 0.177 31.826 31.700 -0.085 0.000 0.772 130 A N -1.388 121.398 122.820 -0.056 0.000 1.978 130 A HA -0.212 3.557 4.320 -0.917 0.000 0.220 130 A C 1.724 179.200 177.584 -0.179 0.000 1.170 130 A CA 1.358 53.298 52.037 -0.161 0.000 0.636 130 A CB -1.757 17.080 19.000 -0.272 0.000 0.810 130 A HN 0.208 nan 8.150 nan 0.000 0.448 131 Y N -0.795 119.525 120.300 0.034 0.000 2.516 131 Y HA 0.259 4.260 4.550 -0.915 0.000 0.291 131 Y C 1.976 177.891 175.900 0.025 0.000 1.131 131 Y CA 0.463 58.582 58.100 0.032 0.000 1.281 131 Y CB -0.343 38.135 38.460 0.029 0.000 1.013 131 Y HN 0.442 nan 8.280 nan 0.000 0.554 132 G N 0.525 109.412 108.800 0.145 0.000 2.160 132 G HA2 -0.325 3.085 3.960 -0.917 0.000 0.251 132 G HA3 -0.325 3.085 3.960 -0.917 0.000 0.251 132 G C 0.370 175.332 174.900 0.104 0.000 1.008 132 G CA 0.369 45.528 45.100 0.098 0.000 0.724 132 G HN 0.410 nan 8.290 nan 0.000 0.514 133 S N -0.645 115.134 115.700 0.133 0.000 2.573 133 S HA 0.375 4.295 4.470 -0.917 0.000 0.277 133 S C 0.914 175.581 174.600 0.111 0.000 1.346 133 S CA 0.580 58.845 58.200 0.109 0.000 1.034 133 S CB 0.467 63.736 63.200 0.116 0.000 0.879 133 S HN 0.237 nan 8.310 nan 0.000 0.528 134 D N 2.625 123.081 120.400 0.093 0.000 2.402 134 D HA 0.202 4.292 4.640 -0.917 0.000 0.216 134 D C 0.894 177.257 176.300 0.106 0.000 1.128 134 D CA 0.046 54.107 54.000 0.101 0.000 0.833 134 D CB 0.170 41.015 40.800 0.076 0.000 0.971 134 D HN 0.475 nan 8.370 nan 0.000 0.503 135 R N -0.282 120.282 120.500 0.106 0.000 2.362 135 R HA 0.085 3.875 4.340 -0.917 0.000 0.227 135 R C 0.502 176.850 176.300 0.080 0.000 0.905 135 R CA -0.469 55.670 56.100 0.066 0.000 1.067 135 R CB 0.661 30.974 30.300 0.023 0.000 1.078 135 R HN 0.208 nan 8.270 nan 0.000 0.516 136 W N 3.132 124.411 121.300 -0.036 0.000 2.193 136 W HA -0.006 4.102 4.660 -0.919 0.000 0.338 136 W C -0.369 176.109 176.519 -0.068 0.000 1.310 136 W CA 1.063 58.355 57.345 -0.087 0.000 1.243 136 W CB 0.669 30.035 29.460 -0.157 0.000 1.165 136 W HN -0.039 nan 8.180 nan 0.000 0.566 137 T N 1.546 115.559 114.554 -0.900 0.000 2.906 137 T HA 0.206 4.005 4.350 -0.917 0.000 0.295 137 T C 0.221 174.334 174.700 -0.979 0.000 1.075 137 T CA -0.612 61.067 62.100 -0.701 0.000 1.005 137 T CB 1.866 70.489 68.868 -0.408 0.000 1.136 137 T HN 0.384 nan 8.240 nan 0.000 0.498 138 D N 0.708 120.854 120.400 -0.423 0.000 2.218 138 D HA -0.028 4.061 4.640 -0.917 0.000 0.204 138 D C 2.003 178.179 176.300 -0.208 0.000 0.976 138 D CA 1.162 55.038 54.000 -0.206 0.000 0.853 138 D CB -0.021 40.759 40.800 -0.033 0.000 0.939 138 D HN 0.488 nan 8.370 nan 0.000 0.481 139 S N -0.090 115.458 115.700 -0.253 0.000 2.402 139 S HA -0.130 3.789 4.470 -0.917 0.000 0.233 139 S C 1.829 176.388 174.600 -0.068 0.000 1.030 139 S CA 0.636 58.752 58.200 -0.139 0.000 1.003 139 S CB -0.153 62.814 63.200 -0.389 0.000 0.813 139 S HN 0.318 nan 8.310 nan 0.000 0.477 140 L N 0.694 121.719 121.223 -0.331 0.000 2.291 140 L HA -0.004 3.786 4.340 -0.917 0.000 0.214 140 L C 2.487 179.323 176.870 -0.057 0.000 1.120 140 L CA 0.680 55.361 54.840 -0.266 0.000 0.799 140 L CB -0.529 41.112 42.059 -0.696 0.000 0.925 140 L HN 0.300 nan 8.230 nan 0.000 0.446 141 A N 0.142 122.946 122.820 -0.026 0.000 2.172 141 A HA -0.217 3.553 4.320 -0.917 0.000 0.216 141 A C 1.918 179.614 177.584 0.185 0.000 1.154 141 A CA 1.623 53.787 52.037 0.211 0.000 0.701 141 A CB -0.676 18.481 19.000 0.262 0.000 0.789 141 A HN 0.480 nan 8.150 nan 0.000 0.465 142 N N -0.290 118.518 118.700 0.181 0.000 2.459 142 N HA 0.025 4.214 4.740 -0.917 0.000 0.181 142 N C 0.245 175.929 175.510 0.289 0.000 1.046 142 N CA 0.276 53.452 53.050 0.210 0.000 0.904 142 N CB -0.291 38.317 38.487 0.201 0.000 0.964 142 N HN 0.496 nan 8.380 nan 0.000 0.444 143 I N 1.126 121.863 120.570 0.278 0.000 2.441 143 I HA 0.055 3.675 4.170 -0.917 0.000 0.287 143 I C 0.021 176.180 176.117 0.071 0.000 1.049 143 I CA -0.738 60.655 61.300 0.155 0.000 1.381 143 I CB 1.376 39.433 38.000 0.095 0.000 1.409 143 I HN -0.203 nan 8.210 nan 0.000 0.523 144 V N 6.484 126.388 119.914 -0.017 0.000 2.540 144 V HA 0.151 3.720 4.120 -0.917 0.000 0.297 144 V C 1.208 177.299 176.094 -0.004 0.000 1.024 144 V CA 1.487 63.784 62.300 -0.005 0.000 1.105 144 V CB 0.376 32.170 31.823 -0.047 0.000 0.938 144 V HN 1.186 nan 8.190 nan 0.000 0.482 145 G N 4.028 112.856 108.800 0.047 0.000 2.217 145 G HA2 -0.255 3.155 3.960 -0.917 0.000 0.246 145 G HA3 -0.255 3.155 3.960 -0.917 0.000 0.246 145 G C 0.539 175.521 174.900 0.137 0.000 0.990 145 G CA 0.423 45.561 45.100 0.064 0.000 0.627 145 G HN 0.693 nan 8.290 nan 0.000 0.522 146 L N 1.483 122.811 121.223 0.175 0.000 2.127 146 L HA 0.386 4.176 4.340 -0.917 0.000 0.203 146 L C 2.662 179.771 176.870 0.399 0.000 1.080 146 L CA 2.862 57.874 54.840 0.287 0.000 0.768 146 L CB -0.797 41.439 42.059 0.295 0.000 0.924 146 L HN 0.206 nan 8.230 nan 0.000 0.444 147 S N 0.047 115.974 115.700 0.378 0.000 2.374 147 S HA -0.222 3.698 4.470 -0.917 0.000 0.227 147 S C 1.565 176.287 174.600 0.202 0.000 1.037 147 S CA 1.682 60.089 58.200 0.345 0.000 1.024 147 S CB -0.431 62.943 63.200 0.291 0.000 0.861 147 S HN 0.526 nan 8.310 nan 0.000 0.456 148 D N -0.527 119.976 120.400 0.171 0.000 2.219 148 D HA -0.052 4.038 4.640 -0.917 0.000 0.205 148 D C 1.504 177.870 176.300 0.109 0.000 0.970 148 D CA 0.659 54.723 54.000 0.107 0.000 0.851 148 D CB -0.200 40.659 40.800 0.098 0.000 0.943 148 D HN 0.519 nan 8.370 nan 0.000 0.488 149 Y N 0.082 120.426 120.300 0.073 0.000 2.263 149 Y HA -0.158 3.841 4.550 -0.918 0.000 0.292 149 Y C 2.300 178.232 175.900 0.053 0.000 1.130 149 Y CA 1.554 59.696 58.100 0.070 0.000 1.179 149 Y CB -0.341 38.181 38.460 0.104 0.000 0.998 149 Y HN 0.037 nan 8.280 nan 0.000 0.532 150 H N -0.281 118.740 119.070 -0.081 0.000 2.389 150 H HA -0.076 3.930 4.556 -0.917 0.000 0.299 150 H C 1.970 177.096 175.328 -0.336 0.000 1.081 150 H CA 2.200 58.058 56.048 -0.316 0.000 1.345 150 H CB -0.475 28.889 29.762 -0.664 0.000 1.393 150 H HN 0.373 nan 8.280 nan 0.000 0.520 151 T N -3.647 110.702 114.554 -0.342 0.000 3.107 151 T HA 0.249 4.049 4.350 -0.917 0.000 0.249 151 T C 1.589 176.141 174.700 -0.246 0.000 1.096 151 T CA 0.450 62.337 62.100 -0.355 0.000 1.012 151 T CB -0.183 68.558 68.868 -0.213 0.000 0.977 151 T HN 0.580 nan 8.240 nan 0.000 0.527 152 G N 1.794 110.453 108.800 -0.235 0.000 2.141 152 G HA2 -0.295 3.114 3.960 -0.917 0.000 0.242 152 G HA3 -0.295 3.114 3.960 -0.917 0.000 0.242 152 G C 0.611 175.444 174.900 -0.112 0.000 0.982 152 G CA 0.453 45.434 45.100 -0.200 0.000 0.662 152 G HN 0.614 nan 8.290 nan 0.000 0.527 153 K N 0.095 120.451 120.400 -0.073 0.000 2.228 153 K HA 0.509 4.278 4.320 -0.917 0.000 0.202 153 K C 1.267 177.870 176.600 0.006 0.000 1.051 153 K CA 1.252 57.523 56.287 -0.027 0.000 0.960 153 K CB -0.044 32.449 32.500 -0.011 0.000 0.743 153 K HN 0.847 nan 8.250 nan 0.000 0.458 154 A N 0.445 123.285 122.820 0.033 0.000 2.380 154 A HA 0.379 4.149 4.320 -0.917 0.000 0.315 154 A C -0.097 177.568 177.584 0.134 0.000 1.101 154 A CA -0.769 51.320 52.037 0.086 0.000 0.771 154 A CB 1.365 20.438 19.000 0.121 0.000 1.287 154 A HN 0.026 nan 8.150 nan 0.000 0.436 155 K N 0.268 120.754 120.400 0.145 0.000 2.361 155 K HA 0.078 3.848 4.320 -0.917 0.000 0.196 155 K C 0.612 177.406 176.600 0.324 0.000 1.039 155 K CA 1.416 57.814 56.287 0.185 0.000 1.001 155 K CB 0.071 32.640 32.500 0.114 0.000 0.795 155 K HN 0.934 nan 8.250 nan 0.000 0.495 156 T N -2.699 112.014 114.554 0.266 0.000 2.841 156 T HA 0.584 4.384 4.350 -0.917 0.000 0.296 156 T C -0.269 174.457 174.700 0.044 0.000 1.166 156 T CA -0.852 61.323 62.100 0.125 0.000 1.007 156 T CB 1.529 70.425 68.868 0.048 0.000 1.253 156 T HN -0.072 nan 8.240 nan 0.000 0.511 157 I N 3.147 123.626 120.570 -0.152 0.000 2.310 157 I HA 0.210 3.830 4.170 -0.917 0.000 0.287 157 I C 1.751 177.779 176.117 -0.149 0.000 1.073 157 I CA -0.657 60.543 61.300 -0.166 0.000 1.216 157 I CB 1.206 39.020 38.000 -0.310 0.000 1.415 157 I HN 0.932 nan 8.210 nan 0.000 0.480 158 S N 3.786 119.437 115.700 -0.081 0.000 2.368 158 S HA -0.136 3.784 4.470 -0.917 0.000 0.225 158 S C 1.931 176.442 174.600 -0.147 0.000 1.030 158 S CA 1.086 59.231 58.200 -0.092 0.000 0.999 158 S CB -0.515 62.660 63.200 -0.043 0.000 0.844 158 S HN 0.724 nan 8.310 nan 0.000 0.459 159 G N 0.718 109.424 108.800 -0.156 0.000 2.776 159 G HA2 0.258 3.668 3.960 -0.917 0.000 0.209 159 G HA3 0.258 3.668 3.960 -0.917 0.000 0.209 159 G C 0.394 175.109 174.900 -0.308 0.000 1.145 159 G CA -0.025 44.948 45.100 -0.211 0.000 0.791 159 G HN 0.573 nan 8.290 nan 0.000 0.530 160 I N 2.048 122.407 120.570 -0.352 0.000 2.359 160 I HA 0.289 3.909 4.170 -0.917 0.000 0.284 160 I C 0.114 175.863 176.117 -0.613 0.000 1.018 160 I CA -0.475 60.547 61.300 -0.463 0.000 1.173 160 I CB 1.681 39.376 38.000 -0.509 0.000 1.326 160 I HN 0.023 nan 8.210 nan 0.000 0.462 161 T N 2.051 116.247 114.554 -0.597 0.000 2.930 161 T HA 0.654 4.454 4.350 -0.917 0.000 0.290 161 T C -0.700 173.605 174.700 -0.659 0.000 1.052 161 T CA -0.631 61.083 62.100 -0.644 0.000 1.017 161 T CB 1.775 70.460 68.868 -0.305 0.000 1.137 161 T HN 0.104 nan 8.240 nan 0.000 0.511 162 F N 1.215 121.143 119.950 -0.035 0.000 2.434 162 F HA 0.444 4.420 4.527 -0.919 0.000 0.367 162 F C -1.895 173.890 175.800 -0.025 0.000 1.093 162 F CA -2.518 55.469 58.000 -0.023 0.000 1.085 162 F CB 1.228 40.220 39.000 -0.013 0.000 1.322 162 F HN 0.394 nan 8.300 nan 0.000 0.452 163 P HA -0.159 nan 4.420 nan 0.000 0.217 163 P C 0.191 177.527 177.300 0.061 0.000 1.148 163 P CA 1.560 64.693 63.100 0.055 0.000 0.834 163 P CB 0.277 31.990 31.700 0.022 0.000 0.783 164 D N -1.467 118.978 120.400 0.075 0.000 2.696 164 D HA 0.329 4.418 4.640 -0.917 0.000 0.269 164 D C 0.938 177.261 176.300 0.038 0.000 1.319 164 D CA 0.226 54.251 54.000 0.041 0.000 0.826 164 D CB 0.118 40.928 40.800 0.018 0.000 1.086 164 D HN 0.050 nan 8.370 nan 0.000 0.481 165 G N 1.299 110.148 108.800 0.082 0.000 2.877 165 G HA2 -0.319 3.090 3.960 -0.917 0.000 0.279 165 G HA3 -0.319 3.090 3.960 -0.917 0.000 0.279 165 G C 0.824 175.626 174.900 -0.163 0.000 1.431 165 G CA -0.376 44.745 45.100 0.034 0.000 0.883 165 G HN 0.212 nan 8.290 nan 0.000 0.547 166 E N 0.073 120.083 120.200 -0.315 0.000 2.118 166 E HA -0.165 3.635 4.350 -0.917 0.000 0.195 166 E C 2.046 178.456 176.600 -0.316 0.000 0.992 166 E CA 1.666 57.732 56.400 -0.556 0.000 0.804 166 E CB -0.064 29.398 29.700 -0.396 0.000 0.741 166 E HN 0.487 nan 8.360 nan 0.000 0.458 167 N N -0.158 118.448 118.700 -0.157 0.000 2.270 167 N HA 0.061 4.251 4.740 -0.917 0.000 0.198 167 N C 0.222 175.697 175.510 -0.057 0.000 1.117 167 N CA 0.011 53.013 53.050 -0.079 0.000 0.845 167 N CB 0.951 39.415 38.487 -0.038 0.000 0.980 167 N HN 0.033 nan 8.380 nan 0.000 0.486 168 G N -0.008 108.750 108.800 -0.069 0.000 0.000 168 G HA2 0.092 3.502 3.960 -0.917 0.000 0.000 168 G HA3 0.092 3.502 3.960 -0.917 0.000 0.000 168 G C 0.633 175.515 174.900 -0.030 0.000 0.000 168 G CA -0.287 44.792 45.100 -0.035 0.000 0.000 168 G HN 0.064 nan 8.290 nan 0.000 0.000 169 K N -0.965 119.423 120.400 -0.020 0.000 2.374 169 K HA 0.225 3.995 4.320 -0.917 0.000 0.202 169 K C -0.134 176.454 176.600 -0.020 0.000 1.040 169 K CA 0.080 56.348 56.287 -0.032 0.000 1.085 169 K CB 1.152 33.617 32.500 -0.058 0.000 0.873 169 K HN 0.183 nan 8.250 nan 0.000 0.539 170 V N 2.145 122.071 119.914 0.020 0.000 2.555 170 V HA 0.472 4.041 4.120 -0.917 0.000 0.302 170 V C -0.459 175.710 176.094 0.126 0.000 1.038 170 V CA -1.049 61.270 62.300 0.032 0.000 0.887 170 V CB 1.745 33.575 31.823 0.012 0.000 0.991 170 V HN -0.040 nan 8.190 nan 0.000 0.434 171 I N 3.756 124.380 120.570 0.091 0.000 2.545 171 I HA 0.530 4.149 4.170 -0.917 0.000 0.292 171 I C -0.160 175.952 176.117 -0.007 0.000 1.040 171 I CA -0.519 60.863 61.300 0.136 0.000 1.068 171 I CB 1.934 40.100 38.000 0.277 0.000 1.251 171 I HN 0.414 nan 8.210 nan 0.000 0.424 172 K N 4.615 124.963 120.400 -0.086 0.000 2.244 172 K HA 0.762 4.531 4.320 -0.917 0.000 0.260 172 K C -1.326 175.142 176.600 -0.220 0.000 0.951 172 K CA -0.821 55.380 56.287 -0.142 0.000 0.826 172 K CB 2.610 35.027 32.500 -0.138 0.000 1.108 172 K HN 0.328 nan 8.250 nan 0.000 0.433 173 V N 3.042 122.794 119.914 -0.271 0.000 2.409 173 V HA 0.190 3.760 4.120 -0.917 0.000 0.291 173 V C -0.465 175.217 176.094 -0.685 0.000 1.020 173 V CA -0.842 61.193 62.300 -0.443 0.000 0.848 173 V CB 1.452 33.041 31.823 -0.390 0.000 0.990 173 V HN 0.673 nan 8.190 nan 0.000 0.430 174 Q N 3.847 123.287 119.800 -0.601 0.000 2.290 174 Q HA 0.630 4.420 4.340 -0.917 0.000 0.259 174 Q C -1.448 174.243 176.000 -0.514 0.000 0.941 174 Q CA -0.131 55.372 55.803 -0.501 0.000 0.912 174 Q CB 1.141 29.726 28.738 -0.255 0.000 1.244 174 Q HN 0.543 nan 8.270 nan 0.000 0.441 175 F N 1.773 121.707 119.950 -0.026 0.000 2.440 175 F HA 0.435 4.411 4.527 -0.919 0.000 0.328 175 F C 1.140 176.930 175.800 -0.018 0.000 1.070 175 F CA -0.792 57.202 58.000 -0.010 0.000 1.011 175 F CB 1.259 40.249 39.000 -0.017 0.000 1.226 175 F HN 0.569 nan 8.300 nan 0.000 0.491 176 K N -0.074 120.442 120.400 0.192 0.000 2.167 176 K HA 0.054 3.823 4.320 -0.917 0.000 0.203 176 K C -0.278 176.361 176.600 0.066 0.000 1.052 176 K CA 1.017 57.362 56.287 0.097 0.000 0.956 176 K CB 0.155 32.702 32.500 0.079 0.000 0.735 176 K HN 0.435 nan 8.250 nan 0.000 0.451 177 E N 0.260 120.493 120.200 0.055 0.000 2.321 177 E HA 0.209 4.008 4.350 -0.917 0.000 0.278 177 E C -0.797 175.731 176.600 -0.119 0.000 0.902 177 E CA -0.476 55.905 56.400 -0.031 0.000 0.758 177 E CB 1.663 31.324 29.700 -0.066 0.000 1.213 177 E HN -0.083 nan 8.360 nan 0.000 0.426 178 M N 1.462 120.988 119.600 -0.123 0.000 2.241 178 M HA 0.305 4.235 4.480 -0.917 0.000 0.335 178 M C 0.087 176.213 176.300 -0.291 0.000 1.122 178 M CA -0.012 55.158 55.300 -0.216 0.000 1.164 178 M CB 0.036 32.570 32.600 -0.109 0.000 1.459 178 M HN 0.145 nan 8.290 nan 0.000 0.461 179 K N 2.799 122.967 120.400 -0.388 0.000 2.427 179 K HA 0.385 4.155 4.320 -0.917 0.000 0.252 179 K C -2.010 174.486 176.600 -0.175 0.000 0.931 179 K CA -1.552 54.521 56.287 -0.356 0.000 0.793 179 K CB 2.000 34.069 32.500 -0.718 0.000 1.211 179 K HN 0.240 nan 8.250 nan 0.000 0.426 180 P HA -0.116 nan 4.420 nan 0.000 0.222 180 P C 1.092 178.430 177.300 0.064 0.000 1.147 180 P CA 0.898 63.998 63.100 0.001 0.000 0.790 180 P CB 0.242 31.949 31.700 0.011 0.000 0.780 181 G N -0.140 108.698 108.800 0.062 0.000 2.625 181 G HA2 -0.157 3.253 3.960 -0.917 0.000 0.214 181 G HA3 -0.157 3.253 3.960 -0.917 0.000 0.214 181 G C 1.427 176.431 174.900 0.173 0.000 1.132 181 G CA 0.081 45.254 45.100 0.122 0.000 0.782 181 G HN 0.215 nan 8.290 nan 0.000 0.538 182 M N 1.282 120.987 119.600 0.175 0.000 2.539 182 M HA -0.045 3.885 4.480 -0.917 0.000 0.261 182 M C 2.516 179.063 176.300 0.411 0.000 1.069 182 M CA 1.460 56.942 55.300 0.304 0.000 1.081 182 M CB -0.132 32.593 32.600 0.208 0.000 1.412 182 M HN 0.321 nan 8.290 nan 0.000 0.482 183 T N -2.955 111.764 114.554 0.274 0.000 3.129 183 T HA 0.083 3.883 4.350 -0.917 0.000 0.251 183 T C 0.734 175.431 174.700 -0.004 0.000 1.117 183 T CA 0.075 62.340 62.100 0.276 0.000 1.034 183 T CB 0.104 69.094 68.868 0.203 0.000 0.968 183 T HN 0.158 nan 8.240 nan 0.000 0.526 184 Q N 1.912 121.661 119.800 -0.085 0.000 2.271 184 Q HA 0.463 4.253 4.340 -0.917 0.000 0.258 184 Q C -0.219 175.439 176.000 -0.571 0.000 0.936 184 Q CA -0.230 55.421 55.803 -0.253 0.000 0.909 184 Q CB 1.940 30.707 28.738 0.048 0.000 1.253 184 Q HN 0.339 nan 8.270 nan 0.000 0.440 185 S N 0.558 115.796 115.700 -0.771 0.000 2.568 185 S HA 0.296 4.216 4.470 -0.917 0.000 0.282 185 S C 1.073 175.593 174.600 -0.134 0.000 1.338 185 S CA 1.167 59.133 58.200 -0.391 0.000 1.045 185 S CB 0.069 63.237 63.200 -0.053 0.000 0.873 185 S HN 0.897 nan 8.310 nan 0.000 0.516 186 G N 3.745 112.519 108.800 -0.043 0.000 2.148 186 G HA2 -0.348 3.062 3.960 -0.917 0.000 0.254 186 G HA3 -0.348 3.062 3.960 -0.917 0.000 0.254 186 G C 0.507 175.322 174.900 -0.142 0.000 0.981 186 G CA 0.938 45.986 45.100 -0.087 0.000 0.670 186 G HN 1.048 nan 8.290 nan 0.000 0.528 187 N N -0.238 118.367 118.700 -0.157 0.000 2.289 187 N HA 0.259 4.448 4.740 -0.917 0.000 0.184 187 N C 2.051 177.316 175.510 -0.409 0.000 1.016 187 N CA 2.099 55.029 53.050 -0.200 0.000 0.872 187 N CB -0.451 38.008 38.487 -0.048 0.000 0.973 187 N HN 1.684 nan 8.380 nan 0.000 0.433 188 G N -1.351 107.236 108.800 -0.355 0.000 2.212 188 G HA2 -0.362 3.048 3.960 -0.917 0.000 0.266 188 G HA3 -0.362 3.048 3.960 -0.917 0.000 0.266 188 G C 0.579 175.257 174.900 -0.369 0.000 0.978 188 G CA 0.692 45.565 45.100 -0.379 0.000 0.632 188 G HN 0.422 nan 8.290 nan 0.000 0.537 189 Y N 0.096 120.337 120.300 -0.099 0.000 2.337 189 Y HA 0.374 4.375 4.550 -0.915 0.000 0.293 189 Y C 1.586 177.705 175.900 0.365 0.000 1.123 189 Y CA 1.039 59.162 58.100 0.038 0.000 1.201 189 Y CB -0.244 38.173 38.460 -0.073 0.000 1.011 189 Y HN 0.557 nan 8.280 nan 0.000 0.545 190 F N -2.403 117.786 119.950 0.399 0.000 2.640 190 F HA 0.715 4.693 4.527 -0.916 0.000 0.324 190 F C -1.135 174.872 175.800 0.345 0.000 1.077 190 F CA -2.169 56.127 58.000 0.493 0.000 0.965 190 F CB 0.878 40.263 39.000 0.642 0.000 1.351 190 F HN -0.417 nan 8.300 nan 0.000 0.487 191 L N 0.813 122.303 121.223 0.445 0.000 2.387 191 L HA 0.486 4.276 4.340 -0.917 0.000 0.266 191 L C 0.182 177.362 176.870 0.516 0.000 1.059 191 L CA -0.526 54.398 54.840 0.141 0.000 0.801 191 L CB 1.598 43.417 42.059 -0.401 0.000 1.223 191 L HN 0.811 nan 8.230 nan 0.000 0.456 192 E N -0.202 120.206 120.200 0.346 0.000 2.660 192 E HA 0.104 3.904 4.350 -0.917 0.000 0.216 192 E C -0.531 176.158 176.600 0.149 0.000 0.986 192 E CA -0.050 56.571 56.400 0.368 0.000 1.037 192 E CB 1.108 31.048 29.700 0.400 0.000 1.041 192 E HN 0.756 nan 8.360 nan 0.000 0.480 193 T N -1.677 112.996 114.554 0.199 0.000 2.916 193 T HA 0.624 4.423 4.350 -0.917 0.000 0.292 193 T C -0.050 174.809 174.700 0.265 0.000 1.064 193 T CA -0.902 61.301 62.100 0.170 0.000 1.011 193 T CB 1.975 70.927 68.868 0.140 0.000 1.152 193 T HN -0.057 nan 8.240 nan 0.000 0.510 194 V N -1.276 118.806 119.914 0.280 0.000 2.769 194 V HA 0.994 4.564 4.120 -0.917 0.000 0.312 194 V C -0.084 176.328 176.094 0.530 0.000 1.058 194 V CA -1.250 61.290 62.300 0.400 0.000 0.952 194 V CB 0.853 32.887 31.823 0.351 0.000 1.019 194 V HN 1.457 nan 8.190 nan 0.000 0.445 195 A N 3.798 126.944 122.820 0.543 0.000 2.374 195 A HA 0.935 4.705 4.320 -0.917 0.000 0.317 195 A C -2.831 175.010 177.584 0.429 0.000 1.094 195 A CA -2.077 50.240 52.037 0.467 0.000 0.765 195 A CB 1.905 21.075 19.000 0.283 0.000 1.268 195 A HN 0.756 nan 8.150 nan 0.000 0.438 196 P HA 0.062 nan 4.420 nan 0.000 0.260 196 P C -0.047 177.202 177.300 -0.085 0.000 1.651 196 P CA 0.126 62.862 63.100 -0.606 0.000 1.139 196 P CB -0.059 30.898 31.700 -1.238 0.000 1.756 197 Y N 4.185 124.447 120.300 -0.064 0.000 2.128 197 Y HA -0.265 3.733 4.550 -0.919 0.000 0.284 197 Y C 2.158 177.921 175.900 -0.229 0.000 1.154 197 Y CA 1.931 59.834 58.100 -0.329 0.000 1.149 197 Y CB -0.382 37.833 38.460 -0.409 0.000 0.976 197 Y HN 0.183 nan 8.280 nan 0.000 0.505 198 Q N -1.267 118.396 119.800 -0.228 0.000 2.226 198 Q HA -0.236 3.554 4.340 -0.917 0.000 0.204 198 Q C 2.037 177.914 176.000 -0.206 0.000 0.975 198 Q CA 1.644 57.291 55.803 -0.259 0.000 0.866 198 Q CB -0.744 27.947 28.738 -0.078 0.000 0.915 198 Q HN 0.685 nan 8.270 nan 0.000 0.440 199 Y N 0.230 120.337 120.300 -0.322 0.000 2.395 199 Y HA -0.015 3.984 4.550 -0.920 0.000 0.293 199 Y C 1.573 177.345 175.900 -0.213 0.000 1.123 199 Y CA 0.878 58.820 58.100 -0.263 0.000 1.227 199 Y CB 0.238 38.512 38.460 -0.310 0.000 1.012 199 Y HN -0.019 nan 8.280 nan 0.000 0.552 200 L N -0.008 121.092 121.223 -0.206 0.000 2.858 200 L HA 0.096 3.886 4.340 -0.917 0.000 0.251 200 L C 2.000 178.755 176.870 -0.192 0.000 1.149 200 L CA 0.068 54.814 54.840 -0.157 0.000 0.955 200 L CB -0.058 42.064 42.059 0.105 0.000 1.289 200 L HN -0.014 nan 8.230 nan 0.000 0.542 201 K N -0.453 119.662 120.400 -0.474 0.000 2.209 201 K HA -0.139 3.631 4.320 -0.917 0.000 0.204 201 K C 0.443 176.918 176.600 -0.207 0.000 1.048 201 K CA 1.459 57.408 56.287 -0.564 0.000 0.940 201 K CB -0.093 31.731 32.500 -1.126 0.000 0.729 201 K HN 0.177 nan 8.250 nan 0.000 0.451 202 D N 1.303 121.595 120.400 -0.180 0.000 2.328 202 D HA 0.066 4.156 4.640 -0.917 0.000 0.221 202 D C -0.294 175.968 176.300 -0.063 0.000 1.072 202 D CA 0.094 54.032 54.000 -0.103 0.000 0.850 202 D CB 0.534 41.266 40.800 -0.113 0.000 0.922 202 D HN -0.025 nan 8.370 nan 0.000 0.516 203 V N 1.736 121.625 119.914 -0.042 0.000 2.432 203 V HA 0.358 3.927 4.120 -0.917 0.000 0.271 203 V C 0.732 176.851 176.094 0.042 0.000 1.046 203 V CA -1.145 61.152 62.300 -0.005 0.000 0.945 203 V CB 0.911 32.738 31.823 0.006 0.000 0.992 203 V HN 0.102 nan 8.190 nan 0.000 0.471 204 A N 7.505 130.330 122.820 0.010 0.000 2.546 204 A HA 0.307 4.077 4.320 -0.917 0.000 0.243 204 A C -0.953 176.621 177.584 -0.016 0.000 1.063 204 A CA -0.684 51.349 52.037 -0.006 0.000 0.757 204 A CB -0.137 18.846 19.000 -0.027 0.000 0.991 204 A HN 0.731 nan 8.150 nan 0.000 0.503 205 P HA -0.270 nan 4.420 nan 0.000 0.217 205 P C 1.476 178.670 177.300 -0.178 0.000 1.158 205 P CA 2.011 64.892 63.100 -0.365 0.000 0.887 205 P CB 0.058 31.188 31.700 -0.951 0.000 0.792 206 K N -0.556 119.756 120.400 -0.146 0.000 2.442 206 K HA -0.145 3.625 4.320 -0.917 0.000 0.198 206 K C 0.445 177.037 176.600 -0.013 0.000 1.042 206 K CA 1.603 57.851 56.287 -0.066 0.000 0.958 206 K CB -0.575 31.886 32.500 -0.065 0.000 0.766 206 K HN 0.149 nan 8.250 nan 0.000 0.474 207 D N 0.644 121.044 120.400 0.000 0.000 2.398 207 D HA -0.007 4.082 4.640 -0.917 0.000 0.210 207 D C 1.596 177.922 176.300 0.043 0.000 1.094 207 D CA -0.067 53.941 54.000 0.014 0.000 0.839 207 D CB 0.262 41.062 40.800 0.001 0.000 0.963 207 D HN 0.086 nan 8.370 nan 0.000 0.506 208 L N 1.831 123.108 121.223 0.091 0.000 2.012 208 L HA -0.093 3.697 4.340 -0.917 0.000 0.210 208 L C 2.189 179.115 176.870 0.093 0.000 1.073 208 L CA 1.682 56.600 54.840 0.130 0.000 0.748 208 L CB -0.739 41.478 42.059 0.262 0.000 0.891 208 L HN -0.039 nan 8.230 nan 0.000 0.431 209 A N -1.507 121.364 122.820 0.085 0.000 2.070 209 A HA -0.141 3.629 4.320 -0.917 0.000 0.220 209 A C 2.260 179.859 177.584 0.025 0.000 1.159 209 A CA 1.694 53.762 52.037 0.052 0.000 0.656 209 A CB -0.729 18.298 19.000 0.044 0.000 0.800 209 A HN 0.640 nan 8.150 nan 0.000 0.453 210 S N -1.329 114.385 115.700 0.023 0.000 2.524 210 S HA 0.200 4.120 4.470 -0.917 0.000 0.215 210 S C 0.868 175.473 174.600 0.009 0.000 0.986 210 S CA 0.427 58.632 58.200 0.007 0.000 0.911 210 S CB -0.443 62.759 63.200 0.002 0.000 0.805 210 S HN 0.423 nan 8.310 nan 0.000 0.501 211 S N 2.956 118.666 115.700 0.016 0.000 2.562 211 S HA 0.255 4.175 4.470 -0.917 0.000 0.281 211 S C -1.523 173.087 174.600 0.017 0.000 1.333 211 S CA -1.129 57.075 58.200 0.005 0.000 1.052 211 S CB 0.671 63.867 63.200 -0.005 0.000 0.884 211 S HN 0.038 nan 8.310 nan 0.000 0.506 212 P HA -0.181 nan 4.420 nan 0.000 0.217 212 P C 0.843 178.171 177.300 0.047 0.000 1.158 212 P CA 1.751 64.865 63.100 0.023 0.000 0.887 212 P CB 0.041 31.743 31.700 0.003 0.000 0.792 213 K N -1.286 119.116 120.400 0.003 0.000 2.442 213 K HA -0.065 3.704 4.320 -0.917 0.000 0.198 213 K C 1.431 178.122 176.600 0.152 0.000 1.044 213 K CA 1.703 58.004 56.287 0.024 0.000 0.948 213 K CB -0.615 31.710 32.500 -0.291 0.000 0.762 213 K HN 0.376 nan 8.250 nan 0.000 0.472 214 T N -3.961 110.677 114.554 0.141 0.000 3.043 214 T HA 0.078 3.878 4.350 -0.917 0.000 0.272 214 T C 1.370 176.263 174.700 0.321 0.000 0.990 214 T CA 0.280 62.512 62.100 0.220 0.000 0.897 214 T CB 0.431 69.391 68.868 0.153 0.000 1.111 214 T HN 0.157 nan 8.240 nan 0.000 0.529 215 T N -0.436 114.270 114.554 0.254 0.000 3.393 215 T HA 0.134 3.933 4.350 -0.917 0.000 0.231 215 T C 1.948 176.822 174.700 0.289 0.000 0.983 215 T CA 0.905 63.131 62.100 0.209 0.000 1.272 215 T CB -0.154 68.748 68.868 0.056 0.000 1.214 215 T HN 0.279 nan 8.240 nan 0.000 0.368 216 T N -0.533 114.114 114.554 0.155 0.000 3.014 216 T HA 0.377 4.176 4.350 -0.917 0.000 0.250 216 T C 0.740 175.475 174.700 0.059 0.000 1.060 216 T CA -0.199 61.974 62.100 0.121 0.000 1.040 216 T CB 0.037 68.946 68.868 0.068 0.000 0.971 216 T HN 0.210 nan 8.240 nan 0.000 0.497 217 K N 2.446 122.875 120.400 0.049 0.000 3.146 217 K HA 0.328 4.098 4.320 -0.917 0.000 0.168 217 K C -3.015 173.611 176.600 0.044 0.000 1.075 217 K CA -1.325 54.975 56.287 0.023 0.000 0.843 217 K CB 1.956 34.495 32.500 0.065 0.000 1.002 217 K HN 0.339 nan 8.250 nan 0.000 0.597 218 P HA 0.358 nan 4.420 nan 0.000 0.281 218 P C -0.277 176.860 177.300 -0.273 0.000 1.281 218 P CA -0.637 62.381 63.100 -0.136 0.000 0.811 218 P CB 1.367 32.765 31.700 -0.503 0.000 1.154 219 L N 0.443 121.474 121.223 -0.320 0.000 2.317 219 L HA 0.555 4.344 4.340 -0.917 0.000 0.281 219 L C 0.588 177.488 176.870 0.051 0.000 1.024 219 L CA -0.954 53.708 54.840 -0.298 0.000 0.810 219 L CB 1.683 43.390 42.059 -0.587 0.000 1.240 219 L HN 0.224 nan 8.230 nan 0.000 0.427 220 V N -0.761 119.269 119.914 0.194 0.000 3.155 220 V HA 0.657 4.226 4.120 -0.917 0.000 0.313 220 V C 0.372 176.678 176.094 0.353 0.000 1.162 220 V CA -0.039 62.452 62.300 0.318 0.000 1.048 220 V CB 1.826 33.724 31.823 0.124 0.000 1.092 220 V HN 0.835 nan 8.190 nan 0.000 0.447 221 T N -2.394 112.307 114.554 0.245 0.000 3.043 221 T HA 0.472 4.272 4.350 -0.917 0.000 0.272 221 T C 0.760 175.627 174.700 0.278 0.000 0.990 221 T CA 0.486 62.671 62.100 0.142 0.000 0.897 221 T CB -0.117 68.735 68.868 -0.027 0.000 1.111 221 T HN 1.378 nan 8.240 nan 0.000 0.529 222 G N 2.184 111.108 108.800 0.207 0.000 2.532 222 G HA2 0.532 3.941 3.960 -0.917 0.000 0.291 222 G HA3 0.532 3.941 3.960 -0.917 0.000 0.291 222 G C -1.557 173.148 174.900 -0.325 0.000 1.349 222 G CA -1.562 43.583 45.100 0.074 0.000 1.038 222 G HN -0.021 nan 8.290 nan 0.000 0.518 223 P HA -0.014 nan 4.420 nan 0.000 0.218 223 P C -0.000 176.958 177.300 -0.569 0.000 1.149 223 P CA 1.049 63.524 63.100 -1.042 0.000 0.817 223 P CB 0.113 31.348 31.700 -0.774 0.000 0.785 224 F N 0.175 119.951 119.950 -0.290 0.000 2.541 224 F HA 0.452 4.432 4.527 -0.912 0.000 0.331 224 F C 1.010 176.825 175.800 0.025 0.000 1.057 224 F CA -1.037 56.886 58.000 -0.128 0.000 0.975 224 F CB 1.675 40.551 39.000 -0.206 0.000 1.246 224 F HN -0.347 nan 8.300 nan 0.000 0.484 225 K N 0.897 121.486 120.400 0.315 0.000 2.426 225 K HA 0.543 4.313 4.320 -0.917 0.000 0.251 225 K C -3.247 173.461 176.600 0.180 0.000 0.941 225 K CA -2.117 54.290 56.287 0.200 0.000 0.808 225 K CB 2.263 34.806 32.500 0.071 0.000 1.265 225 K HN 0.121 nan 8.250 nan 0.000 0.432 226 P HA 0.025 nan 4.420 nan 0.000 0.277 226 P C -0.195 177.028 177.300 -0.128 0.000 1.354 226 P CA 0.091 63.040 63.100 -0.250 0.000 0.891 226 P CB 1.281 32.746 31.700 -0.391 0.000 1.058 227 E N 3.279 123.445 120.200 -0.056 0.000 2.152 227 E HA -0.102 3.698 4.350 -0.917 0.000 0.192 227 E C -0.170 176.419 176.600 -0.019 0.000 0.983 227 E CA 0.961 57.351 56.400 -0.017 0.000 0.818 227 E CB 0.338 30.052 29.700 0.023 0.000 0.758 227 E HN 0.349 nan 8.360 nan 0.000 0.467 228 N N -0.991 117.693 118.700 -0.026 0.000 2.264 228 N HA 0.247 4.437 4.740 -0.917 0.000 0.288 228 N C -1.931 173.582 175.510 0.005 0.000 1.094 228 N CA -0.510 52.539 53.050 -0.002 0.000 0.817 228 N CB 2.300 40.795 38.487 0.012 0.000 1.604 228 N HN -0.251 nan 8.380 nan 0.000 0.473 229 V N 2.429 122.367 119.914 0.039 0.000 2.483 229 V HA 0.455 4.025 4.120 -0.917 0.000 0.297 229 V C -0.585 175.543 176.094 0.057 0.000 1.027 229 V CA -0.803 61.541 62.300 0.075 0.000 0.855 229 V CB 1.745 33.658 31.823 0.151 0.000 0.995 229 V HN 0.454 nan 8.190 nan 0.000 0.424 230 V N 4.263 124.208 119.914 0.052 0.000 2.333 230 V HA 0.560 4.130 4.120 -0.917 0.000 0.274 230 V C 0.856 176.971 176.094 0.034 0.000 1.028 230 V CA -0.655 61.670 62.300 0.041 0.000 0.851 230 V CB 1.361 33.209 31.823 0.042 0.000 1.000 230 V HN 1.013 nan 8.190 nan 0.000 0.456 231 A N 4.236 127.069 122.820 0.022 0.000 2.580 231 A HA 0.444 4.214 4.320 -0.917 0.000 0.244 231 A C 1.649 179.235 177.584 0.003 0.000 1.045 231 A CA 0.884 52.922 52.037 0.003 0.000 0.761 231 A CB -0.616 18.382 19.000 -0.003 0.000 0.962 231 A HN 2.179 nan 8.150 nan 0.000 0.512 232 G N 1.808 110.602 108.800 -0.010 0.000 2.234 232 G HA2 -0.279 3.131 3.960 -0.917 0.000 0.260 232 G HA3 -0.279 3.131 3.960 -0.917 0.000 0.260 232 G C 0.536 175.447 174.900 0.020 0.000 0.987 232 G CA 0.979 46.078 45.100 -0.002 0.000 0.625 232 G HN 0.791 nan 8.290 nan 0.000 0.532 233 E N -0.898 119.322 120.200 0.034 0.000 2.905 233 E HA 0.331 4.131 4.350 -0.917 0.000 0.197 233 E C 0.895 177.536 176.600 0.069 0.000 1.016 233 E CA 0.699 57.131 56.400 0.053 0.000 1.307 233 E CB 0.751 30.484 29.700 0.055 0.000 1.255 233 E HN 0.765 nan 8.360 nan 0.000 0.527 234 S N 0.275 116.017 115.700 0.070 0.000 2.607 234 S HA 0.697 4.617 4.470 -0.917 0.000 0.273 234 S C -1.014 173.626 174.600 0.067 0.000 1.148 234 S CA -0.914 57.336 58.200 0.083 0.000 0.833 234 S CB 1.634 64.890 63.200 0.095 0.000 1.130 234 S HN 0.132 nan 8.310 nan 0.000 0.470 235 I N 0.664 121.263 120.570 0.049 0.000 2.647 235 I HA 0.559 4.179 4.170 -0.917 0.000 0.295 235 I C -0.887 175.186 176.117 -0.074 0.000 1.078 235 I CA -0.725 60.539 61.300 -0.059 0.000 1.048 235 I CB 2.382 40.236 38.000 -0.244 0.000 1.239 235 I HN 0.730 nan 8.210 nan 0.000 0.421 236 K N 5.247 125.586 120.400 -0.101 0.000 2.316 236 K HA 0.451 4.220 4.320 -0.917 0.000 0.267 236 K C -1.812 174.753 176.600 -0.058 0.000 1.025 236 K CA -0.221 56.050 56.287 -0.027 0.000 0.896 236 K CB 0.479 32.991 32.500 0.020 0.000 1.124 236 K HN 0.410 nan 8.250 nan 0.000 0.451 237 Y N 3.127 123.463 120.300 0.059 0.000 2.323 237 Y HA 0.409 4.339 4.550 -1.034 0.000 0.331 237 Y C 0.264 176.284 175.900 0.200 0.000 1.092 237 Y CA -0.641 57.511 58.100 0.088 0.000 1.150 237 Y CB 1.658 40.084 38.460 -0.057 0.000 1.200 237 Y HN 0.392 nan 8.280 nan 0.000 0.472 238 V N 0.878 121.044 119.914 0.420 0.000 3.040 238 V HA 0.716 4.285 4.120 -0.917 0.000 0.312 238 V C -3.037 173.173 176.094 0.192 0.000 1.115 238 V CA -3.452 59.038 62.300 0.317 0.000 0.998 238 V CB 2.047 33.959 31.823 0.149 0.000 1.042 238 V HN 0.442 nan 8.190 nan 0.000 0.433 239 P HA 0.157 nan 4.420 nan 0.000 0.266 239 P C -0.920 176.280 177.300 -0.166 0.000 1.195 239 P CA 0.340 63.233 63.100 -0.345 0.000 0.768 239 P CB 0.163 31.684 31.700 -0.298 0.000 0.838 240 N N 4.279 122.862 118.700 -0.196 0.000 2.500 240 N HA 0.179 4.369 4.740 -0.917 0.000 0.236 240 N C -1.804 173.668 175.510 -0.064 0.000 1.022 240 N CA -2.517 50.502 53.050 -0.052 0.000 0.935 240 N CB 0.199 38.693 38.487 0.011 0.000 1.147 240 N HN 0.103 nan 8.380 nan 0.000 0.512 241 P HA -0.125 nan 4.420 nan 0.000 0.218 241 P C 0.110 177.204 177.300 -0.342 0.000 1.146 241 P CA 1.392 64.306 63.100 -0.311 0.000 0.813 241 P CB -0.014 31.368 31.700 -0.529 0.000 0.778 242 Y N -3.862 116.463 120.300 0.043 0.000 2.457 242 Y HA 0.149 4.147 4.550 -0.921 0.000 0.263 242 Y C 0.956 176.909 175.900 0.088 0.000 1.164 242 Y CA -0.884 57.251 58.100 0.058 0.000 1.274 242 Y CB -1.029 37.468 38.460 0.063 0.000 1.097 242 Y HN -0.096 nan 8.280 nan 0.000 0.523 243 Y N 1.845 122.161 120.300 0.028 0.000 2.620 243 Y HA -0.155 3.850 4.550 -0.907 0.000 0.330 243 Y C 1.396 177.245 175.900 -0.085 0.000 1.186 243 Y CA -0.886 57.169 58.100 -0.075 0.000 1.467 243 Y CB 0.449 38.784 38.460 -0.209 0.000 1.262 243 Y HN 0.376 nan 8.280 nan 0.000 0.550 244 W N 4.750 125.729 121.300 -0.536 0.000 2.436 244 W HA 0.133 4.240 4.660 -0.922 0.000 0.284 244 W C 0.534 176.751 176.519 -0.504 0.000 1.225 244 W CA 0.551 57.635 57.345 -0.436 0.000 1.271 244 W CB -1.142 28.098 29.460 -0.366 0.000 1.114 244 W HN 0.691 nan 8.180 nan 0.000 0.559 245 G N 1.336 109.029 108.800 -1.844 0.000 2.582 245 G HA2 0.138 3.547 3.960 -0.917 0.000 0.232 245 G HA3 0.138 3.547 3.960 -0.917 0.000 0.232 245 G C -0.658 174.013 174.900 -0.382 0.000 1.458 245 G CA -0.534 43.838 45.100 -1.214 0.000 1.062 245 G HN -0.145 nan 8.290 nan 0.000 0.566 246 E N 0.639 120.772 120.200 -0.112 0.000 2.259 246 E HA 0.173 3.972 4.350 -0.917 0.000 0.281 246 E C 0.246 176.874 176.600 0.047 0.000 1.037 246 E CA -0.247 56.151 56.400 -0.002 0.000 0.854 246 E CB 1.134 30.843 29.700 0.016 0.000 1.051 246 E HN 0.301 nan 8.360 nan 0.000 0.409 247 K N 4.481 124.882 120.400 0.003 0.000 2.530 247 K HA -0.029 3.741 4.320 -0.917 0.000 0.280 247 K C -2.102 174.459 176.600 -0.066 0.000 1.004 247 K CA -0.881 55.379 56.287 -0.044 0.000 1.071 247 K CB 0.101 32.570 32.500 -0.052 0.000 0.876 247 K HN 0.223 nan 8.250 nan 0.000 0.487 248 P HA 0.006 nan 4.420 nan 0.000 0.270 248 P C -0.111 177.176 177.300 -0.021 0.000 1.223 248 P CA -0.093 62.948 63.100 -0.098 0.000 0.785 248 P CB 0.603 32.105 31.700 -0.330 0.000 0.923 249 K N 0.240 120.671 120.400 0.052 0.000 2.116 249 K HA 0.054 3.824 4.320 -0.917 0.000 0.203 249 K C 0.732 177.379 176.600 0.078 0.000 1.052 249 K CA 0.626 56.943 56.287 0.051 0.000 0.952 249 K CB -0.276 32.257 32.500 0.054 0.000 0.729 249 K HN 0.345 nan 8.250 nan 0.000 0.446 250 L N 1.976 123.295 121.223 0.160 0.000 2.436 250 L HA 0.021 3.811 4.340 -0.917 0.000 0.265 250 L C 1.187 178.176 176.870 0.198 0.000 1.168 250 L CA -0.450 54.511 54.840 0.201 0.000 0.815 250 L CB 0.381 42.614 42.059 0.290 0.000 1.109 250 L HN 0.073 nan 8.230 nan 0.000 0.462 251 N N -0.046 118.750 118.700 0.159 0.000 2.333 251 N HA -0.026 4.163 4.740 -0.917 0.000 0.178 251 N C 0.086 175.723 175.510 0.212 0.000 1.018 251 N CA 0.658 53.788 53.050 0.134 0.000 0.882 251 N CB 0.249 38.788 38.487 0.087 0.000 0.984 251 N HN 0.741 nan 8.380 nan 0.000 0.434 252 S N -1.000 114.850 115.700 0.250 0.000 2.587 252 S HA 0.636 4.556 4.470 -0.917 0.000 0.269 252 S C -1.296 173.375 174.600 0.118 0.000 1.154 252 S CA -0.973 57.374 58.200 0.246 0.000 0.824 252 S CB 1.323 64.619 63.200 0.159 0.000 1.118 252 S HN -0.025 nan 8.310 nan 0.000 0.462 253 I N 1.773 122.361 120.570 0.031 0.000 2.569 253 I HA 0.481 4.100 4.170 -0.917 0.000 0.290 253 I C -0.457 175.704 176.117 0.073 0.000 1.088 253 I CA -0.627 60.638 61.300 -0.059 0.000 1.047 253 I CB 2.733 40.512 38.000 -0.369 0.000 1.237 253 I HN 0.913 nan 8.210 nan 0.000 0.421 254 T N 1.887 116.487 114.554 0.076 0.000 2.824 254 T HA 0.531 4.331 4.350 -0.917 0.000 0.280 254 T C -0.995 173.792 174.700 0.145 0.000 0.995 254 T CA -0.670 61.504 62.100 0.123 0.000 1.009 254 T CB 1.494 70.433 68.868 0.117 0.000 0.955 254 T HN 0.504 nan 8.240 nan 0.000 0.452 255 Y N 1.097 121.445 120.300 0.081 0.000 2.327 255 Y HA 0.432 4.511 4.550 -0.784 0.000 0.325 255 Y C -0.261 175.663 175.900 0.040 0.000 0.999 255 Y CA -0.776 57.361 58.100 0.061 0.000 1.195 255 Y CB 1.268 39.782 38.460 0.090 0.000 1.132 255 Y HN 0.787 nan 8.280 nan 0.000 0.455 256 E N 3.360 123.758 120.200 0.330 0.000 2.336 256 E HA 0.452 4.252 4.350 -0.917 0.000 0.267 256 E C -1.320 175.354 176.600 0.122 0.000 0.906 256 E CA -1.192 55.318 56.400 0.182 0.000 0.781 256 E CB 3.029 32.837 29.700 0.180 0.000 1.261 256 E HN 0.274 nan 8.360 nan 0.000 0.436 257 V N 1.922 121.896 119.914 0.100 0.000 2.583 257 V HA 0.241 3.811 4.120 -0.917 0.000 0.287 257 V C -0.184 175.947 176.094 0.061 0.000 1.051 257 V CA -0.304 62.049 62.300 0.088 0.000 1.010 257 V CB 1.374 33.245 31.823 0.080 0.000 0.988 257 V HN 0.362 nan 8.190 nan 0.000 0.478 258 V N 4.985 124.918 119.914 0.031 0.000 2.789 258 V HA 0.647 4.217 4.120 -0.917 0.000 0.311 258 V C 0.240 176.359 176.094 0.041 0.000 1.073 258 V CA -0.240 62.092 62.300 0.053 0.000 0.921 258 V CB 2.735 34.587 31.823 0.049 0.000 1.009 258 V HN 1.073 nan 8.190 nan 0.000 0.426 259 S N 3.197 118.928 115.700 0.052 0.000 2.600 259 S HA 0.158 4.078 4.470 -0.917 0.000 0.265 259 S C 1.419 176.030 174.600 0.019 0.000 1.325 259 S CA 0.325 58.545 58.200 0.033 0.000 1.002 259 S CB 1.227 64.448 63.200 0.034 0.000 0.921 259 S HN 1.279 nan 8.310 nan 0.000 0.554 260 T N -0.676 113.882 114.554 0.007 0.000 2.746 260 T HA -0.100 3.700 4.350 -0.917 0.000 0.267 260 T C 1.998 176.701 174.700 0.006 0.000 1.039 260 T CA 1.104 63.202 62.100 -0.003 0.000 1.142 260 T CB -1.156 67.707 68.868 -0.009 0.000 0.866 260 T HN 0.936 nan 8.240 nan 0.000 0.444 261 A N 1.826 124.652 122.820 0.010 0.000 2.019 261 A HA -0.017 3.753 4.320 -0.917 0.000 0.219 261 A C 2.319 179.914 177.584 0.019 0.000 1.164 261 A CA 1.474 53.518 52.037 0.012 0.000 0.644 261 A CB -0.487 18.520 19.000 0.011 0.000 0.805 261 A HN 0.623 nan 8.150 nan 0.000 0.449 262 K N -0.740 119.679 120.400 0.031 0.000 2.354 262 K HA 0.139 3.909 4.320 -0.917 0.000 0.194 262 K C 2.002 178.636 176.600 0.057 0.000 1.045 262 K CA 0.537 56.850 56.287 0.044 0.000 1.026 262 K CB 0.230 32.766 32.500 0.061 0.000 0.866 262 K HN 0.354 nan 8.250 nan 0.000 0.530 263 S N 1.087 116.815 115.700 0.048 0.000 2.369 263 S HA -0.185 3.735 4.470 -0.917 0.000 0.225 263 S C 2.021 176.637 174.600 0.026 0.000 1.043 263 S CA 1.671 59.899 58.200 0.046 0.000 1.074 263 S CB -0.325 62.879 63.200 0.005 0.000 0.962 263 S HN 0.044 nan 8.310 nan 0.000 0.433 264 V N 2.038 121.954 119.914 0.002 0.000 2.332 264 V HA -0.233 3.336 4.120 -0.917 0.000 0.248 264 V C 2.617 178.697 176.094 -0.022 0.000 1.055 264 V CA 1.690 63.976 62.300 -0.023 0.000 1.038 264 V CB -1.338 30.471 31.823 -0.023 0.000 0.651 264 V HN 0.565 nan 8.190 nan 0.000 0.450 265 A N 0.155 122.973 122.820 -0.003 0.000 1.908 265 A HA -0.166 3.603 4.320 -0.917 0.000 0.218 265 A C 2.444 180.027 177.584 -0.002 0.000 1.181 265 A CA 2.199 54.235 52.037 -0.002 0.000 0.627 265 A CB -0.842 18.161 19.000 0.005 0.000 0.818 265 A HN 0.600 nan 8.150 nan 0.000 0.445 266 A N -0.543 122.288 122.820 0.019 0.000 1.978 266 A HA -0.029 3.741 4.320 -0.917 0.000 0.220 266 A C 2.152 179.744 177.584 0.014 0.000 1.170 266 A CA 1.534 53.575 52.037 0.007 0.000 0.636 266 A CB -0.510 18.577 19.000 0.144 0.000 0.810 266 A HN 0.492 nan 8.150 nan 0.000 0.448 267 L N -1.000 120.212 121.223 -0.018 0.000 2.095 267 L HA -0.087 3.703 4.340 -0.917 0.000 0.204 267 L C 2.803 179.681 176.870 0.014 0.000 1.080 267 L CA 1.172 55.942 54.840 -0.116 0.000 0.759 267 L CB -0.422 41.398 42.059 -0.400 0.000 0.914 267 L HN 0.288 nan 8.230 nan 0.000 0.439 268 S N 0.023 115.721 115.700 -0.004 0.000 2.383 268 S HA -0.163 3.756 4.470 -0.917 0.000 0.229 268 S C 1.966 176.594 174.600 0.048 0.000 1.030 268 S CA 1.717 59.935 58.200 0.031 0.000 1.002 268 S CB -0.240 62.961 63.200 0.002 0.000 0.829 268 S HN 0.589 nan 8.310 nan 0.000 0.467 269 S N 0.539 116.254 115.700 0.025 0.000 2.593 269 S HA 0.208 4.128 4.470 -0.917 0.000 0.217 269 S C 0.626 175.237 174.600 0.019 0.000 0.966 269 S CA 0.289 58.495 58.200 0.010 0.000 0.914 269 S CB -0.189 62.999 63.200 -0.021 0.000 0.776 269 S HN 0.230 nan 8.310 nan 0.000 0.523 270 S N 1.100 116.849 115.700 0.082 0.000 3.581 270 S HA -0.201 3.718 4.470 -0.917 0.000 0.354 270 S C 0.961 175.560 174.600 -0.002 0.000 1.059 270 S CA 0.982 59.246 58.200 0.106 0.000 1.060 270 S CB -1.649 61.583 63.200 0.053 0.000 0.908 270 S HN 0.750 nan 8.310 nan 0.000 0.475 271 K N -0.517 119.817 120.400 -0.111 0.000 2.211 271 K HA -0.060 3.709 4.320 -0.917 0.000 0.203 271 K C -0.318 176.013 176.600 -0.448 0.000 1.050 271 K CA 1.166 57.249 56.287 -0.340 0.000 0.945 271 K CB 0.109 32.270 32.500 -0.564 0.000 0.732 271 K HN 0.539 nan 8.250 nan 0.000 0.451 272 Y N -0.201 120.149 120.300 0.084 0.000 2.477 272 Y HA 0.176 4.182 4.550 -0.906 0.000 0.347 272 Y C 0.419 176.392 175.900 0.122 0.000 0.981 272 Y CA -1.402 56.741 58.100 0.072 0.000 1.033 272 Y CB 1.877 40.365 38.460 0.047 0.000 1.245 272 Y HN -0.110 nan 8.280 nan 0.000 0.455 273 D N 1.694 122.236 120.400 0.237 0.000 2.162 273 D HA 0.076 4.165 4.640 -0.917 0.000 0.203 273 D C 0.062 176.489 176.300 0.211 0.000 0.967 273 D CA 1.630 55.732 54.000 0.171 0.000 0.840 273 D CB 0.744 41.594 40.800 0.084 0.000 0.972 273 D HN 0.369 nan 8.370 nan 0.000 0.482 274 I N 1.248 121.903 120.570 0.142 0.000 2.499 274 I HA 0.296 3.915 4.170 -0.917 0.000 0.288 274 I C -0.660 175.453 176.117 -0.008 0.000 1.048 274 I CA -0.542 60.799 61.300 0.068 0.000 1.062 274 I CB 2.774 40.774 38.000 0.000 0.000 1.238 274 I HN -0.308 nan 8.210 nan 0.000 0.426 275 I N 5.629 126.183 120.570 -0.026 0.000 2.382 275 I HA 0.360 3.979 4.170 -0.917 0.000 0.286 275 I C -0.559 175.463 176.117 -0.158 0.000 1.002 275 I CA -0.634 60.597 61.300 -0.115 0.000 1.135 275 I CB 1.272 39.206 38.000 -0.109 0.000 1.288 275 I HN 0.516 nan 8.210 nan 0.000 0.448 276 N N 4.009 122.603 118.700 -0.177 0.000 2.492 276 N HA 0.433 4.623 4.740 -0.917 0.000 0.289 276 N C 0.840 175.982 175.510 -0.613 0.000 1.133 276 N CA 0.186 53.087 53.050 -0.250 0.000 0.961 276 N CB 1.961 40.451 38.487 0.004 0.000 1.186 276 N HN 0.918 nan 8.380 nan 0.000 0.493 277 G N 0.462 108.912 108.800 -0.583 0.000 2.132 277 G HA2 -0.254 3.156 3.960 -0.917 0.000 0.234 277 G HA3 -0.254 3.156 3.960 -0.917 0.000 0.234 277 G C 0.121 174.738 174.900 -0.472 0.000 0.989 277 G CA -0.235 44.465 45.100 -0.667 0.000 0.676 277 G HN 0.458 nan 8.290 nan 0.000 0.522 278 M N 0.879 120.197 119.600 -0.469 0.000 2.245 278 M HA 0.381 4.310 4.480 -0.917 0.000 0.344 278 M C 1.222 177.342 176.300 -0.300 0.000 1.170 278 M CA -0.026 55.053 55.300 -0.367 0.000 1.135 278 M CB 1.061 33.421 32.600 -0.401 0.000 1.574 278 M HN 0.341 nan 8.290 nan 0.000 0.452 279 V N 0.795 120.655 119.914 -0.088 0.000 2.743 279 V HA 0.276 3.846 4.120 -0.917 0.000 0.301 279 V C 0.969 177.158 176.094 0.158 0.000 1.057 279 V CA -0.591 61.703 62.300 -0.011 0.000 1.006 279 V CB 1.196 33.003 31.823 -0.025 0.000 1.024 279 V HN 0.977 nan 8.190 nan 0.000 0.473 280 S N 2.289 118.067 115.700 0.130 0.000 2.387 280 S HA -0.217 3.703 4.470 -0.917 0.000 0.230 280 S C 2.039 176.730 174.600 0.152 0.000 1.035 280 S CA 1.978 60.285 58.200 0.178 0.000 1.014 280 S CB -0.538 62.696 63.200 0.057 0.000 0.836 280 S HN 1.257 nan 8.310 nan 0.000 0.466 281 S N 1.320 117.077 115.700 0.095 0.000 2.442 281 S HA -0.097 3.823 4.470 -0.917 0.000 0.236 281 S C 1.588 176.236 174.600 0.081 0.000 1.007 281 S CA 0.773 59.016 58.200 0.072 0.000 0.965 281 S CB -0.382 62.838 63.200 0.033 0.000 0.773 281 S HN 0.553 nan 8.310 nan 0.000 0.504 282 Q N -0.958 118.913 119.800 0.118 0.000 2.425 282 Q HA 0.121 3.910 4.340 -0.917 0.000 0.204 282 Q C 1.331 177.379 176.000 0.080 0.000 0.933 282 Q CA 0.296 56.160 55.803 0.101 0.000 0.939 282 Q CB -0.203 28.613 28.738 0.131 0.000 1.044 282 Q HN 0.763 nan 8.270 nan 0.000 0.513 283 Y N 2.472 122.723 120.300 -0.081 0.000 2.165 283 Y HA -0.313 3.686 4.550 -0.918 0.000 0.286 283 Y C 1.923 177.712 175.900 -0.186 0.000 1.155 283 Y CA 2.082 59.992 58.100 -0.316 0.000 1.164 283 Y CB 0.018 38.207 38.460 -0.453 0.000 0.978 283 Y HN 0.028 nan 8.280 nan 0.000 0.513 284 K N -0.437 119.810 120.400 -0.255 0.000 2.147 284 K HA -0.212 3.557 4.320 -0.917 0.000 0.205 284 K C 1.832 178.280 176.600 -0.254 0.000 1.049 284 K CA 1.935 58.048 56.287 -0.290 0.000 0.936 284 K CB -0.485 31.945 32.500 -0.116 0.000 0.722 284 K HN 0.388 nan 8.250 nan 0.000 0.446 285 Q N 0.730 120.424 119.800 -0.176 0.000 2.230 285 Q HA -0.018 3.772 4.340 -0.917 0.000 0.202 285 Q C 1.977 177.883 176.000 -0.157 0.000 0.963 285 Q CA 1.103 56.827 55.803 -0.131 0.000 0.866 285 Q CB 0.246 28.942 28.738 -0.070 0.000 0.931 285 Q HN 0.170 nan 8.270 nan 0.000 0.452 286 V N 1.304 121.092 119.914 -0.210 0.000 2.599 286 V HA -0.183 3.387 4.120 -0.917 0.000 0.245 286 V C 2.038 177.989 176.094 -0.239 0.000 1.046 286 V CA 1.517 63.709 62.300 -0.181 0.000 1.065 286 V CB -0.392 31.396 31.823 -0.059 0.000 0.703 286 V HN 0.405 nan 8.190 nan 0.000 0.464 287 K N 2.617 122.745 120.400 -0.452 0.000 2.113 287 K HA -0.238 3.532 4.320 -0.917 0.000 0.208 287 K C 1.339 177.809 176.600 -0.216 0.000 1.047 287 K CA 2.214 58.238 56.287 -0.439 0.000 0.928 287 K CB -0.561 31.507 32.500 -0.719 0.000 0.716 287 K HN 0.628 nan 8.250 nan 0.000 0.446 288 N N 1.154 119.748 118.700 -0.177 0.000 2.280 288 N HA 0.040 4.230 4.740 -0.917 0.000 0.192 288 N C 0.016 175.491 175.510 -0.059 0.000 1.109 288 N CA -0.076 52.910 53.050 -0.107 0.000 0.855 288 N CB -0.024 38.402 38.487 -0.102 0.000 0.974 288 N HN 0.176 nan 8.380 nan 0.000 0.482 289 L N 1.565 122.758 121.223 -0.051 0.000 2.500 289 L HA 0.083 3.873 4.340 -0.917 0.000 0.272 289 L C 0.612 177.523 176.870 0.067 0.000 1.149 289 L CA 0.137 54.980 54.840 0.005 0.000 0.897 289 L CB 0.300 42.341 42.059 -0.030 0.000 1.178 289 L HN -0.072 nan 8.230 nan 0.000 0.473 290 K N 2.214 122.647 120.400 0.055 0.000 2.258 290 K HA 0.322 4.092 4.320 -0.917 0.000 0.264 290 K C 1.022 177.681 176.600 0.097 0.000 1.007 290 K CA 0.537 56.854 56.287 0.050 0.000 0.941 290 K CB 0.788 33.299 32.500 0.018 0.000 0.966 290 K HN 0.835 nan 8.250 nan 0.000 0.480 291 G N 0.935 109.746 108.800 0.019 0.000 2.213 291 G HA2 -0.248 3.162 3.960 -0.917 0.000 0.226 291 G HA3 -0.248 3.162 3.960 -0.917 0.000 0.226 291 G C -0.685 174.020 174.900 -0.326 0.000 0.992 291 G CA -0.322 44.716 45.100 -0.103 0.000 0.632 291 G HN 0.520 nan 8.290 nan 0.000 0.511 292 Y N -0.206 120.046 120.300 -0.082 0.000 2.499 292 Y HA 0.699 4.697 4.550 -0.920 0.000 0.347 292 Y C 0.123 175.924 175.900 -0.165 0.000 0.987 292 Y CA -1.056 56.977 58.100 -0.112 0.000 1.044 292 Y CB 2.121 40.547 38.460 -0.055 0.000 1.245 292 Y HN 0.091 nan 8.280 nan 0.000 0.461 293 K N 1.419 121.750 120.400 -0.115 0.000 2.274 293 K HA 0.638 4.408 4.320 -0.917 0.000 0.262 293 K C -1.916 174.687 176.600 0.006 0.000 0.961 293 K CA -0.464 55.720 56.287 -0.172 0.000 0.833 293 K CB 1.177 33.337 32.500 -0.565 0.000 1.102 293 K HN 0.454 nan 8.250 nan 0.000 0.436 294 V N 6.815 126.789 119.914 0.099 0.000 2.334 294 V HA 0.298 3.868 4.120 -0.917 0.000 0.267 294 V C 0.017 176.275 176.094 0.274 0.000 1.040 294 V CA -0.709 61.725 62.300 0.224 0.000 0.866 294 V CB 0.358 32.377 31.823 0.327 0.000 1.019 294 V HN 0.694 nan 8.190 nan 0.000 0.468 295 L N 4.167 125.508 121.223 0.197 0.000 2.439 295 L HA 0.802 4.592 4.340 -0.917 0.000 0.261 295 L C 0.843 177.753 176.870 0.066 0.000 1.153 295 L CA -0.045 54.890 54.840 0.160 0.000 0.808 295 L CB 0.945 43.039 42.059 0.059 0.000 1.126 295 L HN 0.699 nan 8.230 nan 0.000 0.460 296 G N 0.600 109.385 108.800 -0.025 0.000 2.619 296 G HA2 0.597 4.006 3.960 -0.917 0.000 0.296 296 G HA3 0.597 4.006 3.960 -0.917 0.000 0.296 296 G C -1.879 172.885 174.900 -0.227 0.000 1.334 296 G CA -0.223 44.641 45.100 -0.394 0.000 0.934 296 G HN 0.431 nan 8.290 nan 0.000 0.476 297 Q N -0.410 119.234 119.800 -0.260 0.000 2.391 297 Q HA 0.373 4.162 4.340 -0.917 0.000 0.279 297 Q C -1.064 174.871 176.000 -0.108 0.000 1.028 297 Q CA -0.573 55.116 55.803 -0.191 0.000 0.836 297 Q CB 1.585 30.147 28.738 -0.294 0.000 1.414 297 Q HN 0.575 nan 8.270 nan 0.000 0.397 298 Q N 1.467 121.249 119.800 -0.029 0.000 2.289 298 Q HA 0.548 4.337 4.340 -0.917 0.000 0.273 298 Q C -0.528 175.553 176.000 0.135 0.000 1.029 298 Q CA 0.237 56.061 55.803 0.036 0.000 0.896 298 Q CB 1.013 29.763 28.738 0.020 0.000 1.182 298 Q HN 0.647 nan 8.270 nan 0.000 0.385 299 A N 3.545 126.427 122.820 0.104 0.000 2.287 299 A HA 0.360 4.130 4.320 -0.917 0.000 0.273 299 A C 0.129 177.810 177.584 0.162 0.000 1.091 299 A CA -0.570 51.555 52.037 0.147 0.000 0.817 299 A CB 0.434 19.489 19.000 0.092 0.000 1.069 299 A HN 0.733 nan 8.150 nan 0.000 0.492 300 M N 2.090 121.780 119.600 0.151 0.000 3.422 300 M HA 0.239 4.169 4.480 -0.917 0.000 0.248 300 M C -0.978 175.504 176.300 0.305 0.000 1.433 300 M CA 0.552 55.943 55.300 0.151 0.000 1.592 300 M CB -1.692 30.935 32.600 0.045 0.000 1.078 300 M HN 0.620 nan 8.290 nan 0.000 0.578 301 Y N 1.508 121.931 120.300 0.204 0.000 2.513 301 Y HA 0.677 4.676 4.550 -0.919 0.000 0.340 301 Y C -2.079 174.019 175.900 0.330 0.000 1.055 301 Y CA -1.512 56.733 58.100 0.242 0.000 1.020 301 Y CB 1.623 40.195 38.460 0.186 0.000 1.301 301 Y HN 0.372 nan 8.280 nan 0.000 0.453 302 I N 4.918 125.384 120.570 -0.173 0.000 2.607 302 I HA 0.576 4.196 4.170 -0.917 0.000 0.290 302 I C -1.435 174.481 176.117 -0.334 0.000 1.129 302 I CA -0.297 60.984 61.300 -0.031 0.000 1.042 302 I CB 2.077 40.214 38.000 0.228 0.000 1.242 302 I HN 0.630 nan 8.210 nan 0.000 0.421 303 S N 7.798 123.394 115.700 -0.172 0.000 2.537 303 S HA 0.979 4.899 4.470 -0.917 0.000 0.301 303 S C -0.689 173.940 174.600 0.048 0.000 1.092 303 S CA -0.633 57.535 58.200 -0.053 0.000 1.048 303 S CB 1.564 64.806 63.200 0.070 0.000 1.053 303 S HN 0.893 nan 8.310 nan 0.000 0.501 304 L N -0.721 120.558 121.223 0.092 0.000 2.600 304 L HA 0.696 4.486 4.340 -0.917 0.000 0.257 304 L C -0.937 175.962 176.870 0.047 0.000 1.048 304 L CA -1.235 53.617 54.840 0.020 0.000 0.869 304 L CB 2.001 44.036 42.059 -0.041 0.000 1.482 304 L HN 0.754 nan 8.230 nan 0.000 0.408 305 M N 1.511 121.059 119.600 -0.087 0.000 2.157 305 M HA 0.519 4.448 4.480 -0.917 0.000 0.354 305 M C -1.718 174.456 176.300 -0.211 0.000 1.170 305 M CA -0.302 54.955 55.300 -0.072 0.000 1.060 305 M CB 0.949 33.423 32.600 -0.209 0.000 1.615 305 M HN 0.597 nan 8.290 nan 0.000 0.460 306 Y N 3.072 123.392 120.300 0.035 0.000 2.387 306 Y HA 0.470 4.469 4.550 -0.918 0.000 0.330 306 Y C -1.078 174.894 175.900 0.121 0.000 1.133 306 Y CA -0.531 57.647 58.100 0.131 0.000 1.152 306 Y CB 1.208 39.925 38.460 0.428 0.000 1.215 306 Y HN 0.452 nan 8.280 nan 0.000 0.466 307 Y N 0.817 121.371 120.300 0.423 0.000 2.429 307 Y HA 0.262 4.262 4.550 -0.916 0.000 0.342 307 Y C -0.150 175.846 175.900 0.160 0.000 1.004 307 Y CA -1.882 56.365 58.100 0.245 0.000 1.075 307 Y CB 1.282 39.799 38.460 0.095 0.000 1.214 307 Y HN 0.511 nan 8.280 nan 0.000 0.455 308 N N 3.011 121.699 118.700 -0.021 0.000 2.414 308 N HA 0.304 4.494 4.740 -0.917 0.000 0.256 308 N C -0.441 174.991 175.510 -0.130 0.000 1.029 308 N CA 0.170 52.969 53.050 -0.418 0.000 0.948 308 N CB 0.389 38.024 38.487 -1.420 0.000 1.102 308 N HN 0.771 nan 8.380 nan 0.000 0.496 309 L N 1.713 122.954 121.223 0.029 0.000 3.217 309 L HA 0.482 4.272 4.340 -0.917 0.000 0.288 309 L C 0.969 177.902 176.870 0.105 0.000 1.202 309 L CA -0.183 54.706 54.840 0.082 0.000 1.027 309 L CB 0.409 42.555 42.059 0.145 0.000 1.427 309 L HN 0.667 nan 8.230 nan 0.000 0.600 310 G N -0.815 108.081 108.800 0.160 0.000 2.485 310 G HA2 0.243 3.653 3.960 -0.917 0.000 0.182 310 G HA3 0.243 3.653 3.960 -0.917 0.000 0.182 310 G C -1.767 173.218 174.900 0.143 0.000 1.172 310 G CA -0.278 44.914 45.100 0.153 0.000 0.996 310 G HN 0.102 nan 8.290 nan 0.000 0.496 311 H N -1.384 117.576 119.070 -0.183 0.000 3.008 311 H HA 0.631 4.636 4.556 -0.917 0.000 0.354 311 H C -2.246 172.778 175.328 -0.506 0.000 1.252 311 H CA -0.808 54.938 56.048 -0.504 0.000 1.117 311 H CB 1.783 31.417 29.762 -0.213 0.000 1.857 311 H HN 0.593 nan 8.280 nan 0.000 0.547 312 Y N 1.677 121.615 120.300 -0.602 0.000 2.331 312 Y HA 0.218 4.218 4.550 -0.916 0.000 0.338 312 Y C -0.527 175.323 175.900 -0.083 0.000 0.992 312 Y CA -0.780 57.132 58.100 -0.313 0.000 1.121 312 Y CB 1.300 39.693 38.460 -0.112 0.000 1.184 312 Y HN 0.707 nan 8.280 nan 0.000 0.469 313 D N 5.059 125.100 120.400 -0.597 0.000 2.441 313 D HA 0.295 4.384 4.640 -0.917 0.000 0.221 313 D C 0.608 176.505 176.300 -0.672 0.000 1.156 313 D CA 0.306 54.058 54.000 -0.414 0.000 0.896 313 D CB 1.180 41.830 40.800 -0.250 0.000 1.028 313 D HN 0.776 nan 8.370 nan 0.000 0.509 314 A N 5.050 127.620 122.820 -0.417 0.000 1.877 314 A HA -0.175 3.595 4.320 -0.917 0.000 0.216 314 A C 2.032 179.524 177.584 -0.154 0.000 1.186 314 A CA 1.371 53.259 52.037 -0.249 0.000 0.620 314 A CB -0.376 18.632 19.000 0.014 0.000 0.822 314 A HN 0.607 nan 8.150 nan 0.000 0.443 315 K N -0.437 119.897 120.400 -0.111 0.000 2.074 315 K HA -0.195 3.574 4.320 -0.917 0.000 0.209 315 K C 0.814 177.366 176.600 -0.080 0.000 1.048 315 K CA 1.815 58.060 56.287 -0.069 0.000 0.926 315 K CB -0.190 32.279 32.500 -0.051 0.000 0.713 315 K HN 0.456 nan 8.250 nan 0.000 0.444 316 N N 0.372 118.998 118.700 -0.123 0.000 2.270 316 N HA 0.019 4.209 4.740 -0.917 0.000 0.198 316 N C -0.701 174.723 175.510 -0.144 0.000 1.117 316 N CA 0.301 53.285 53.050 -0.111 0.000 0.845 316 N CB 0.856 39.282 38.487 -0.102 0.000 0.980 316 N HN 0.027 nan 8.380 nan 0.000 0.486 317 S N 0.872 116.442 115.700 -0.216 0.000 3.550 317 S HA -0.210 3.710 4.470 -0.917 0.000 0.372 317 S C -0.318 174.189 174.600 -0.154 0.000 0.966 317 S CA 0.383 58.481 58.200 -0.169 0.000 1.229 317 S CB -1.214 61.980 63.200 -0.010 0.000 0.917 317 S HN 0.473 nan 8.310 nan 0.000 0.496 318 I N 0.964 121.324 120.570 -0.351 0.000 2.775 318 I HA 0.373 3.993 4.170 -0.917 0.000 0.295 318 I C -0.898 175.091 176.117 -0.214 0.000 1.287 318 I CA -0.573 60.624 61.300 -0.170 0.000 1.029 318 I CB 1.595 39.514 38.000 -0.134 0.000 1.282 318 I HN 0.159 nan 8.210 nan 0.000 0.426 319 N N 5.374 124.063 118.700 -0.019 0.000 2.488 319 N HA 0.431 4.620 4.740 -0.917 0.000 0.274 319 N C -1.218 174.190 175.510 -0.170 0.000 1.111 319 N CA -0.173 52.860 53.050 -0.027 0.000 0.974 319 N CB 1.902 40.428 38.487 0.065 0.000 1.089 319 N HN 0.279 nan 8.380 nan 0.000 0.465 320 V N 2.520 122.232 119.914 -0.337 0.000 2.378 320 V HA 0.176 3.746 4.120 -0.917 0.000 0.288 320 V C 0.513 176.510 176.094 -0.162 0.000 1.016 320 V CA -0.709 61.417 62.300 -0.289 0.000 0.840 320 V CB 1.557 33.136 31.823 -0.406 0.000 0.994 320 V HN 0.596 nan 8.190 nan 0.000 0.431 321 Q N 3.546 123.317 119.800 -0.048 0.000 3.181 321 Q HA 0.097 3.886 4.340 -0.917 0.000 0.293 321 Q C 0.059 176.082 176.000 0.039 0.000 1.406 321 Q CA -0.159 55.654 55.803 0.017 0.000 1.026 321 Q CB 0.161 28.906 28.738 0.011 0.000 1.630 321 Q HN 0.949 nan 8.270 nan 0.000 0.553 322 D N 0.418 120.858 120.400 0.067 0.000 2.501 322 D HA 0.035 4.125 4.640 -0.917 0.000 0.224 322 D C 0.008 176.352 176.300 0.074 0.000 1.202 322 D CA -0.395 53.653 54.000 0.081 0.000 0.829 322 D CB 0.093 40.961 40.800 0.112 0.000 1.023 322 D HN 0.191 nan 8.370 nan 0.000 0.499 323 R N 1.211 121.749 120.500 0.064 0.000 2.340 323 R HA 0.216 4.006 4.340 -0.917 0.000 0.300 323 R C -0.171 176.140 176.300 0.019 0.000 1.069 323 R CA -0.522 55.598 56.100 0.034 0.000 0.984 323 R CB 0.705 31.014 30.300 0.015 0.000 1.003 323 R HN -0.171 nan 8.270 nan 0.000 0.459 324 K N 2.902 123.308 120.400 0.011 0.000 2.378 324 K HA 0.082 3.851 4.320 -0.917 0.000 0.288 324 K C -0.525 176.076 176.600 0.001 0.000 1.057 324 K CA 0.385 56.679 56.287 0.012 0.000 0.971 324 K CB 1.159 33.667 32.500 0.014 0.000 0.975 324 K HN 0.618 nan 8.250 nan 0.000 0.475 325 T N 2.426 116.984 114.554 0.006 0.000 3.128 325 T HA 0.189 3.989 4.350 -0.917 0.000 0.363 325 T C -2.440 172.255 174.700 -0.007 0.000 1.610 325 T CA -1.255 60.836 62.100 -0.015 0.000 1.126 325 T CB 1.189 70.023 68.868 -0.057 0.000 1.416 325 T HN 0.172 nan 8.240 nan 0.000 0.480 326 P HA 0.061 nan 4.420 nan 0.000 0.220 326 P C 1.532 178.757 177.300 -0.125 0.000 1.144 326 P CA 0.804 63.888 63.100 -0.027 0.000 0.800 326 P CB 0.003 31.581 31.700 -0.203 0.000 0.772 327 L N -0.880 120.234 121.223 -0.182 0.000 2.549 327 L HA -0.123 3.667 4.340 -0.917 0.000 0.229 327 L C 2.225 179.021 176.870 -0.124 0.000 1.158 327 L CA 0.793 55.479 54.840 -0.256 0.000 0.842 327 L CB -0.728 41.145 42.059 -0.310 0.000 0.952 327 L HN 0.007 nan 8.230 nan 0.000 0.452 328 Q N -0.220 119.558 119.800 -0.035 0.000 2.369 328 Q HA -0.029 3.761 4.340 -0.917 0.000 0.206 328 Q C -0.056 175.965 176.000 0.035 0.000 0.963 328 Q CA 0.713 56.535 55.803 0.031 0.000 0.894 328 Q CB -0.112 28.654 28.738 0.048 0.000 0.965 328 Q HN 0.464 nan 8.270 nan 0.000 0.475 329 D N 1.022 121.424 120.400 0.004 0.000 2.316 329 D HA -0.000 4.090 4.640 -0.917 0.000 0.245 329 D C 0.963 177.245 176.300 -0.031 0.000 1.171 329 D CA 0.023 54.036 54.000 0.021 0.000 0.856 329 D CB 1.219 42.064 40.800 0.074 0.000 1.090 329 D HN 0.104 nan 8.370 nan 0.000 0.476 330 Q N 2.844 122.636 119.800 -0.014 0.000 2.112 330 Q HA -0.261 3.529 4.340 -0.917 0.000 0.206 330 Q C 0.908 176.884 176.000 -0.040 0.000 0.987 330 Q CA 1.564 57.337 55.803 -0.050 0.000 0.858 330 Q CB 0.171 28.881 28.738 -0.045 0.000 0.905 330 Q HN 0.304 nan 8.270 nan 0.000 0.420 331 N N -0.518 118.182 118.700 0.000 0.000 2.149 331 N HA -0.146 4.044 4.740 -0.917 0.000 0.188 331 N C 1.615 177.113 175.510 -0.020 0.000 1.019 331 N CA 1.439 54.505 53.050 0.025 0.000 0.857 331 N CB -0.203 38.322 38.487 0.063 0.000 0.997 331 N HN 0.086 nan 8.380 nan 0.000 0.426 332 V N 0.803 120.661 119.914 -0.094 0.000 2.358 332 V HA -0.137 3.433 4.120 -0.917 0.000 0.246 332 V C 2.169 178.086 176.094 -0.294 0.000 1.047 332 V CA 1.390 63.556 62.300 -0.224 0.000 1.035 332 V CB -0.347 31.276 31.823 -0.333 0.000 0.658 332 V HN 0.278 nan 8.190 nan 0.000 0.452 333 R N -0.283 120.026 120.500 -0.318 0.000 2.081 333 R HA -0.186 3.603 4.340 -0.917 0.000 0.235 333 R C 2.423 178.612 176.300 -0.185 0.000 1.131 333 R CA 1.635 57.478 56.100 -0.429 0.000 0.960 333 R CB -0.308 29.806 30.300 -0.310 0.000 0.856 333 R HN 0.594 nan 8.270 nan 0.000 0.436 334 Q N -0.040 119.710 119.800 -0.084 0.000 2.046 334 Q HA -0.072 3.717 4.340 -0.917 0.000 0.200 334 Q C 2.242 178.314 176.000 0.119 0.000 0.975 334 Q CA 1.436 57.257 55.803 0.029 0.000 0.836 334 Q CB -0.099 28.770 28.738 0.218 0.000 0.896 334 Q HN 0.355 nan 8.270 nan 0.000 0.428 335 A N 0.796 123.694 122.820 0.131 0.000 1.902 335 A HA -0.185 3.585 4.320 -0.917 0.000 0.217 335 A C 1.994 179.670 177.584 0.154 0.000 1.181 335 A CA 1.234 53.381 52.037 0.183 0.000 0.623 335 A CB -0.611 18.436 19.000 0.078 0.000 0.818 335 A HN 0.321 nan 8.150 nan 0.000 0.443 336 I N -0.368 120.215 120.570 0.022 0.000 2.394 336 I HA -0.147 3.473 4.170 -0.917 0.000 0.251 336 I C 2.578 178.848 176.117 0.255 0.000 1.136 336 I CA 0.880 62.229 61.300 0.082 0.000 1.425 336 I CB -0.339 37.521 38.000 -0.234 0.000 1.079 336 I HN 0.393 nan 8.210 nan 0.000 0.425 337 G N 0.014 108.806 108.800 -0.014 0.000 2.414 337 G HA2 -0.265 3.144 3.960 -0.917 0.000 0.215 337 G HA3 -0.265 3.144 3.960 -0.917 0.000 0.215 337 G C 1.399 176.302 174.900 0.005 0.000 1.188 337 G CA 0.512 45.462 45.100 -0.251 0.000 0.783 337 G HN 0.256 nan 8.290 nan 0.000 0.537 338 Y N 1.419 121.876 120.300 0.262 0.000 2.384 338 Y HA 0.048 4.048 4.550 -0.917 0.000 0.289 338 Y C 2.971 178.955 175.900 0.140 0.000 1.152 338 Y CA 0.411 58.654 58.100 0.238 0.000 1.258 338 Y CB -0.295 38.282 38.460 0.195 0.000 0.979 338 Y HN 0.279 nan 8.280 nan 0.000 0.549 339 A N -0.090 122.899 122.820 0.283 0.000 2.016 339 A HA -0.011 3.759 4.320 -0.917 0.000 0.217 339 A C 1.384 178.978 177.584 0.016 0.000 1.162 339 A CA 0.015 52.167 52.037 0.191 0.000 0.662 339 A CB -0.262 18.928 19.000 0.317 0.000 0.812 339 A HN 0.193 nan 8.150 nan 0.000 0.450 340 R N 1.312 121.778 120.500 -0.057 0.000 2.694 340 R HA 0.086 3.876 4.340 -0.917 0.000 0.268 340 R C -0.549 175.743 176.300 -0.013 0.000 1.061 340 R CA 0.319 56.287 56.100 -0.220 0.000 1.133 340 R CB 0.147 30.152 30.300 -0.492 0.000 1.020 340 R HN 0.568 nan 8.270 nan 0.000 0.475 341 N N 1.804 120.561 118.700 0.095 0.000 2.908 341 N HA 0.028 4.217 4.740 -0.917 0.000 0.316 341 N C 0.497 176.123 175.510 0.193 0.000 1.619 341 N CA -0.201 52.923 53.050 0.124 0.000 1.045 341 N CB 0.699 39.238 38.487 0.087 0.000 1.357 341 N HN 0.221 nan 8.380 nan 0.000 0.501 342 V N 0.537 120.554 119.914 0.172 0.000 2.332 342 V HA -0.248 3.321 4.120 -0.917 0.000 0.248 342 V C 2.563 178.733 176.094 0.127 0.000 1.055 342 V CA 2.348 64.762 62.300 0.191 0.000 1.038 342 V CB -0.838 31.044 31.823 0.099 0.000 0.651 342 V HN 0.611 nan 8.190 nan 0.000 0.450 343 A N -0.582 122.289 122.820 0.084 0.000 1.898 343 A HA -0.257 3.513 4.320 -0.917 0.000 0.216 343 A C 2.303 179.915 177.584 0.046 0.000 1.181 343 A CA 1.930 54.002 52.037 0.058 0.000 0.620 343 A CB -0.469 18.558 19.000 0.045 0.000 0.819 343 A HN 0.619 nan 8.150 nan 0.000 0.442 344 E N -0.209 120.017 120.200 0.044 0.000 2.047 344 E HA -0.125 3.675 4.350 -0.917 0.000 0.191 344 E C 1.921 178.517 176.600 -0.007 0.000 0.987 344 E CA 1.367 57.772 56.400 0.009 0.000 0.799 344 E CB -0.126 29.581 29.700 0.012 0.000 0.752 344 E HN 0.298 nan 8.360 nan 0.000 0.449 345 V N 1.968 121.918 119.914 0.060 0.000 2.287 345 V HA -0.284 3.286 4.120 -0.917 0.000 0.248 345 V C 1.875 178.057 176.094 0.148 0.000 1.053 345 V CA 2.233 64.611 62.300 0.130 0.000 1.027 345 V CB -0.522 31.382 31.823 0.135 0.000 0.646 345 V HN 0.310 nan 8.190 nan 0.000 0.447 346 D N -0.036 120.431 120.400 0.112 0.000 2.117 346 D HA -0.123 3.967 4.640 -0.917 0.000 0.198 346 D C 2.054 178.376 176.300 0.037 0.000 0.982 346 D CA 1.058 55.118 54.000 0.101 0.000 0.828 346 D CB -0.470 40.383 40.800 0.087 0.000 0.967 346 D HN 0.369 nan 8.370 nan 0.000 0.464 347 N N 0.811 119.505 118.700 -0.009 0.000 2.223 347 N HA -0.099 4.091 4.740 -0.917 0.000 0.185 347 N C 1.578 177.005 175.510 -0.137 0.000 1.016 347 N CA 0.698 53.719 53.050 -0.049 0.000 0.863 347 N CB 0.006 38.464 38.487 -0.048 0.000 0.983 347 N HN 0.323 nan 8.380 nan 0.000 0.429 348 K N -0.703 119.528 120.400 -0.282 0.000 2.062 348 K HA 0.014 3.783 4.320 -0.917 0.000 0.205 348 K C 1.018 177.293 176.600 -0.541 0.000 1.051 348 K CA 0.964 56.894 56.287 -0.595 0.000 0.941 348 K CB -0.030 31.731 32.500 -1.231 0.000 0.719 348 K HN 0.162 nan 8.250 nan 0.000 0.440 349 F N -0.219 119.727 119.950 -0.008 0.000 2.680 349 F HA 0.061 4.038 4.527 -0.918 0.000 0.290 349 F C 2.348 178.152 175.800 0.007 0.000 1.114 349 F CA 0.219 58.214 58.000 -0.008 0.000 1.333 349 F CB -0.009 38.977 39.000 -0.024 0.000 1.091 349 F HN -0.065 nan 8.300 nan 0.000 0.606 350 S N -0.612 115.184 115.700 0.159 0.000 2.524 350 S HA 0.012 3.931 4.470 -0.917 0.000 0.216 350 S C 0.773 175.425 174.600 0.087 0.000 0.987 350 S CA 0.299 58.568 58.200 0.115 0.000 0.909 350 S CB -0.489 62.769 63.200 0.096 0.000 0.781 350 S HN 0.405 nan 8.310 nan 0.000 0.521 351 N N 0.929 119.684 118.700 0.092 0.000 2.800 351 N HA -0.187 4.002 4.740 -0.917 0.000 0.250 351 N C 0.866 176.431 175.510 0.092 0.000 1.078 351 N CA 1.022 54.150 53.050 0.130 0.000 0.804 351 N CB -1.823 36.808 38.487 0.241 0.000 1.135 351 N HN 1.085 nan 8.380 nan 0.000 0.565 352 G N -0.604 108.235 108.800 0.066 0.000 2.175 352 G HA2 -0.312 3.098 3.960 -0.917 0.000 0.244 352 G HA3 -0.312 3.098 3.960 -0.917 0.000 0.244 352 G C 0.681 175.627 174.900 0.076 0.000 0.982 352 G CA 0.454 45.601 45.100 0.079 0.000 0.641 352 G HN 0.389 nan 8.290 nan 0.000 0.527 353 L N 0.568 121.798 121.223 0.012 0.000 2.567 353 L HA 0.342 4.132 4.340 -0.917 0.000 0.225 353 L C 0.776 177.643 176.870 -0.006 0.000 1.119 353 L CA 0.549 55.366 54.840 -0.038 0.000 0.871 353 L CB 0.427 42.422 42.059 -0.106 0.000 1.036 353 L HN 0.187 nan 8.230 nan 0.000 0.459 354 S N -0.482 115.242 115.700 0.039 0.000 2.519 354 S HA 0.520 4.439 4.470 -0.917 0.000 0.309 354 S C -0.257 174.402 174.600 0.099 0.000 1.100 354 S CA -0.361 57.883 58.200 0.073 0.000 1.059 354 S CB 2.495 65.740 63.200 0.076 0.000 1.008 354 S HN 0.067 nan 8.310 nan 0.000 0.478 355 T N 3.375 118.008 114.554 0.131 0.000 2.893 355 T HA 0.577 4.377 4.350 -0.917 0.000 0.293 355 T C -3.058 171.685 174.700 0.072 0.000 1.027 355 T CA -2.371 59.804 62.100 0.125 0.000 0.988 355 T CB 1.202 70.174 68.868 0.174 0.000 1.043 355 T HN 0.140 nan 8.240 nan 0.000 0.461 356 P HA 0.305 nan 4.420 nan 0.000 0.267 356 P C -1.096 176.040 177.300 -0.273 0.000 1.205 356 P CA -0.182 62.874 63.100 -0.072 0.000 0.765 356 P CB 0.321 32.013 31.700 -0.013 0.000 0.828 357 A N 3.634 126.131 122.820 -0.539 0.000 2.401 357 A HA 0.159 3.928 4.320 -0.917 0.000 0.259 357 A C 1.315 178.657 177.584 -0.403 0.000 1.103 357 A CA -0.394 50.983 52.037 -1.099 0.000 0.789 357 A CB -0.031 18.322 19.000 -1.079 0.000 1.035 357 A HN 0.660 nan 8.150 nan 0.000 0.491 358 N N 0.643 119.238 118.700 -0.175 0.000 2.373 358 N HA 0.010 4.200 4.740 -0.917 0.000 0.181 358 N C 0.119 175.645 175.510 0.025 0.000 1.082 358 N CA 0.832 53.880 53.050 -0.005 0.000 0.885 358 N CB 0.078 38.616 38.487 0.085 0.000 0.977 358 N HN 0.776 nan 8.380 nan 0.000 0.462 359 S N -1.299 114.447 115.700 0.077 0.000 2.636 359 S HA 0.401 4.320 4.470 -0.917 0.000 0.268 359 S C 0.162 174.866 174.600 0.174 0.000 1.159 359 S CA -0.885 57.380 58.200 0.109 0.000 0.815 359 S CB 0.424 63.713 63.200 0.148 0.000 1.130 359 S HN -0.043 nan 8.310 nan 0.000 0.471 360 L N 0.314 121.604 121.223 0.112 0.000 2.418 360 L HA 0.328 4.118 4.340 -0.917 0.000 0.218 360 L C -0.039 176.992 176.870 0.268 0.000 1.125 360 L CA 0.519 55.449 54.840 0.150 0.000 0.835 360 L CB -0.125 41.949 42.059 0.024 0.000 0.953 360 L HN 0.534 nan 8.230 nan 0.000 0.454 361 I N 0.904 121.633 120.570 0.264 0.000 2.321 361 I HA 0.300 3.920 4.170 -0.917 0.000 0.291 361 I C -2.219 174.033 176.117 0.225 0.000 0.998 361 I CA -2.450 58.973 61.300 0.206 0.000 1.227 361 I CB 0.972 39.020 38.000 0.079 0.000 1.368 361 I HN -0.288 nan 8.210 nan 0.000 0.466 362 P HA 0.129 nan 4.420 nan 0.000 0.269 362 P C -1.895 175.287 177.300 -0.197 0.000 1.209 362 P CA -1.080 61.913 63.100 -0.177 0.000 0.776 362 P CB 0.042 31.801 31.700 0.097 0.000 0.876 363 P HA -0.093 nan 4.420 nan 0.000 0.230 363 P C 1.282 178.490 177.300 -0.153 0.000 1.158 363 P CA 0.579 63.520 63.100 -0.265 0.000 0.769 363 P CB -0.114 31.401 31.700 -0.308 0.000 0.807 364 I N -0.786 119.674 120.570 -0.183 0.000 2.493 364 I HA -0.079 3.540 4.170 -0.917 0.000 0.254 364 I C 0.647 176.589 176.117 -0.291 0.000 1.160 364 I CA 0.612 61.784 61.300 -0.213 0.000 1.445 364 I CB -0.789 37.082 38.000 -0.215 0.000 1.086 364 I HN -0.298 nan 8.210 nan 0.000 0.433 365 F N 2.304 122.219 119.950 -0.057 0.000 2.679 365 F HA 0.155 4.132 4.527 -0.918 0.000 0.351 365 F C 1.507 177.207 175.800 -0.168 0.000 1.279 365 F CA -0.200 57.747 58.000 -0.088 0.000 1.227 365 F CB -0.412 38.592 39.000 0.007 0.000 1.623 365 F HN -0.081 nan 8.300 nan 0.000 0.666 366 K N 1.027 121.374 120.400 -0.090 0.000 2.211 366 K HA -0.153 3.616 4.320 -0.917 0.000 0.203 366 K C 1.924 178.456 176.600 -0.113 0.000 1.050 366 K CA 0.749 56.984 56.287 -0.086 0.000 0.945 366 K CB -0.160 32.281 32.500 -0.098 0.000 0.732 366 K HN 0.570 nan 8.250 nan 0.000 0.451 367 Q N -0.570 119.067 119.800 -0.271 0.000 2.451 367 Q HA -0.003 3.787 4.340 -0.917 0.000 0.206 367 Q C 0.470 176.306 176.000 -0.274 0.000 0.947 367 Q CA 0.781 56.369 55.803 -0.359 0.000 0.937 367 Q CB 0.154 28.535 28.738 -0.596 0.000 1.025 367 Q HN 0.214 nan 8.270 nan 0.000 0.511 368 F N 0.013 119.933 119.950 -0.051 0.000 2.746 368 F HA 0.412 4.388 4.527 -0.919 0.000 0.320 368 F C 0.626 176.350 175.800 -0.128 0.000 1.097 368 F CA -0.391 57.467 58.000 -0.237 0.000 1.195 368 F CB 0.906 39.434 39.000 -0.785 0.000 1.056 368 F HN -0.025 nan 8.300 nan 0.000 0.562 369 T N -1.572 113.055 114.554 0.121 0.000 2.645 369 T HA 0.663 4.463 4.350 -0.917 0.000 0.300 369 T C -1.520 173.234 174.700 0.089 0.000 1.210 369 T CA -0.400 61.772 62.100 0.119 0.000 1.034 369 T CB 1.512 70.449 68.868 0.116 0.000 1.537 369 T HN -0.118 nan 8.240 nan 0.000 0.492 370 S N -0.535 115.219 115.700 0.089 0.000 2.542 370 S HA 0.435 4.355 4.470 -0.917 0.000 0.276 370 S C 0.753 175.401 174.600 0.080 0.000 1.148 370 S CA 0.257 58.499 58.200 0.070 0.000 0.886 370 S CB 1.187 64.426 63.200 0.064 0.000 1.109 370 S HN 1.084 nan 8.310 nan 0.000 0.458 371 S N 2.233 117.975 115.700 0.070 0.000 2.555 371 S HA -0.045 3.875 4.470 -0.917 0.000 0.230 371 S C 1.793 176.432 174.600 0.064 0.000 0.978 371 S CA 1.099 59.349 58.200 0.083 0.000 0.934 371 S CB -0.494 62.749 63.200 0.073 0.000 0.766 371 S HN 1.083 nan 8.310 nan 0.000 0.533 372 S N 0.952 116.682 115.700 0.051 0.000 2.453 372 S HA 0.072 3.992 4.470 -0.917 0.000 0.231 372 S C 0.656 175.274 174.600 0.030 0.000 1.005 372 S CA 0.058 58.279 58.200 0.036 0.000 0.949 372 S CB -0.801 62.417 63.200 0.030 0.000 0.774 372 S HN 0.334 nan 8.310 nan 0.000 0.510 373 V N 3.227 123.166 119.914 0.041 0.000 2.521 373 V HA 0.279 3.849 4.120 -0.917 0.000 0.286 373 V C 0.100 176.200 176.094 0.011 0.000 1.034 373 V CA -0.194 62.121 62.300 0.026 0.000 1.045 373 V CB 0.541 32.389 31.823 0.043 0.000 0.974 373 V HN 0.278 nan 8.190 nan 0.000 0.480 374 K N 4.034 124.419 120.400 -0.025 0.000 2.213 374 K HA 0.643 4.413 4.320 -0.917 0.000 0.270 374 K C 0.416 176.938 176.600 -0.130 0.000 1.002 374 K CA -0.072 56.181 56.287 -0.056 0.000 0.868 374 K CB 1.864 34.331 32.500 -0.054 0.000 1.093 374 K HN 0.813 nan 8.250 nan 0.000 0.454 375 G N 0.794 109.498 108.800 -0.161 0.000 3.286 375 G HA2 0.245 3.654 3.960 -0.917 0.000 0.166 375 G HA3 0.245 3.654 3.960 -0.917 0.000 0.166 375 G C -0.569 173.996 174.900 -0.559 0.000 1.155 375 G CA -0.249 44.679 45.100 -0.287 0.000 0.871 375 G HN 0.506 nan 8.290 nan 0.000 0.637 376 Y N 1.343 121.551 120.300 -0.155 0.000 2.708 376 Y HA 0.212 4.212 4.550 -0.918 0.000 0.287 376 Y C 2.204 178.063 175.900 -0.068 0.000 1.145 376 Y CA -0.094 57.904 58.100 -0.171 0.000 1.249 376 Y CB 0.582 38.856 38.460 -0.310 0.000 1.152 376 Y HN 0.482 nan 8.280 nan 0.000 0.532 377 E N 1.021 121.234 120.200 0.021 0.000 2.347 377 E HA -0.126 3.674 4.350 -0.917 0.000 0.196 377 E C 0.228 176.854 176.600 0.044 0.000 1.008 377 E CA 0.639 57.049 56.400 0.017 0.000 0.852 377 E CB 0.210 29.907 29.700 -0.005 0.000 0.783 377 E HN 0.319 nan 8.360 nan 0.000 0.505 378 K N 1.510 121.950 120.400 0.067 0.000 2.358 378 K HA 0.118 3.888 4.320 -0.917 0.000 0.260 378 K C -0.605 176.073 176.600 0.130 0.000 0.956 378 K CA -0.524 55.810 56.287 0.079 0.000 0.834 378 K CB 1.500 34.035 32.500 0.059 0.000 1.102 378 K HN -0.065 nan 8.250 nan 0.000 0.431 379 Q N 2.535 122.400 119.800 0.108 0.000 2.330 379 Q HA -0.066 3.723 4.340 -0.917 0.000 0.279 379 Q C -0.990 175.081 176.000 0.118 0.000 1.024 379 Q CA 0.742 56.622 55.803 0.128 0.000 0.900 379 Q CB 0.623 29.412 28.738 0.084 0.000 1.221 379 Q HN 0.463 nan 8.270 nan 0.000 0.396 380 D N 4.676 125.166 120.400 0.150 0.000 2.517 380 D HA 0.147 4.237 4.640 -0.917 0.000 0.263 380 D C 0.464 176.793 176.300 0.049 0.000 1.233 380 D CA -0.149 53.876 54.000 0.041 0.000 0.849 380 D CB 0.341 41.083 40.800 -0.098 0.000 1.261 380 D HN 0.672 nan 8.370 nan 0.000 0.516 381 L N 0.895 122.152 121.223 0.057 0.000 2.046 381 L HA -0.130 3.660 4.340 -0.917 0.000 0.208 381 L C 1.551 178.444 176.870 0.038 0.000 1.077 381 L CA 0.958 55.837 54.840 0.066 0.000 0.747 381 L CB -0.059 42.035 42.059 0.057 0.000 0.896 381 L HN 0.217 nan 8.230 nan 0.000 0.432 382 D N 0.158 120.562 120.400 0.007 0.000 2.116 382 D HA -0.238 3.852 4.640 -0.917 0.000 0.193 382 D C 2.135 178.418 176.300 -0.029 0.000 0.998 382 D CA 1.360 55.354 54.000 -0.010 0.000 0.836 382 D CB -0.083 40.702 40.800 -0.026 0.000 0.951 382 D HN 0.205 nan 8.370 nan 0.000 0.449 383 K N 0.178 120.528 120.400 -0.084 0.000 2.025 383 K HA -0.046 3.724 4.320 -0.917 0.000 0.207 383 K C 2.070 178.636 176.600 -0.056 0.000 1.049 383 K CA 1.064 57.263 56.287 -0.147 0.000 0.933 383 K CB -0.086 32.173 32.500 -0.402 0.000 0.714 383 K HN 0.052 nan 8.250 nan 0.000 0.438 384 A N 2.030 124.861 122.820 0.018 0.000 1.873 384 A HA -0.244 3.525 4.320 -0.917 0.000 0.218 384 A C 1.871 179.508 177.584 0.088 0.000 1.193 384 A CA 2.010 54.122 52.037 0.124 0.000 0.629 384 A CB -0.818 18.296 19.000 0.191 0.000 0.826 384 A HN 0.394 nan 8.150 nan 0.000 0.447 385 N N -0.455 118.286 118.700 0.068 0.000 2.166 385 N HA -0.160 4.030 4.740 -0.917 0.000 0.186 385 N C 1.762 177.305 175.510 0.057 0.000 1.019 385 N CA 1.582 54.671 53.050 0.064 0.000 0.856 385 N CB -0.299 38.219 38.487 0.052 0.000 0.993 385 N HN 0.703 nan 8.380 nan 0.000 0.426 386 K N 1.158 121.580 120.400 0.036 0.000 2.025 386 K HA -0.035 3.735 4.320 -0.917 0.000 0.207 386 K C 2.133 178.760 176.600 0.046 0.000 1.049 386 K CA 0.669 56.973 56.287 0.030 0.000 0.933 386 K CB -0.098 32.403 32.500 0.002 0.000 0.714 386 K HN 0.056 nan 8.250 nan 0.000 0.438 387 L N 1.061 122.315 121.223 0.051 0.000 2.079 387 L HA -0.207 3.583 4.340 -0.917 0.000 0.210 387 L C 2.404 179.330 176.870 0.093 0.000 1.081 387 L CA 1.083 55.964 54.840 0.069 0.000 0.752 387 L CB -0.299 41.813 42.059 0.089 0.000 0.896 387 L HN 0.228 nan 8.230 nan 0.000 0.433 388 L N -1.102 120.182 121.223 0.101 0.000 2.072 388 L HA -0.173 3.617 4.340 -0.917 0.000 0.205 388 L C 2.250 179.239 176.870 0.198 0.000 1.079 388 L CA 0.765 55.697 54.840 0.153 0.000 0.752 388 L CB -0.602 41.526 42.059 0.115 0.000 0.906 388 L HN 0.224 nan 8.230 nan 0.000 0.436 389 D N 0.633 121.112 120.400 0.132 0.000 2.160 389 D HA -0.278 3.812 4.640 -0.917 0.000 0.189 389 D C 1.847 178.199 176.300 0.086 0.000 1.003 389 D CA 1.892 55.953 54.000 0.101 0.000 0.846 389 D CB -0.145 40.695 40.800 0.066 0.000 0.949 389 D HN 0.499 nan 8.370 nan 0.000 0.446 390 E N 0.127 120.371 120.200 0.075 0.000 2.512 390 E HA -0.115 3.685 4.350 -0.917 0.000 0.195 390 E C 0.172 176.812 176.600 0.067 0.000 1.083 390 E CA 0.430 56.863 56.400 0.055 0.000 0.873 390 E CB 0.081 29.805 29.700 0.040 0.000 0.897 390 E HN 0.053 nan 8.360 nan 0.000 0.514 391 D N -0.608 119.861 120.400 0.115 0.000 2.501 391 D HA 0.191 4.281 4.640 -0.917 0.000 0.224 391 D C 0.842 177.181 176.300 0.064 0.000 1.202 391 D CA 0.644 54.726 54.000 0.137 0.000 0.829 391 D CB 0.409 41.354 40.800 0.242 0.000 1.023 391 D HN 0.307 nan 8.370 nan 0.000 0.499 392 G N 0.238 109.036 108.800 -0.003 0.000 2.162 392 G HA2 -0.289 3.120 3.960 -0.917 0.000 0.260 392 G HA3 -0.289 3.120 3.960 -0.917 0.000 0.260 392 G C -0.050 174.687 174.900 -0.272 0.000 0.976 392 G CA -0.084 44.927 45.100 -0.148 0.000 0.655 392 G HN 0.283 nan 8.290 nan 0.000 0.533 393 W N 2.124 123.431 121.300 0.011 0.000 2.072 393 W HA 0.615 4.725 4.660 -0.917 0.000 0.413 393 W C 0.452 176.986 176.519 0.024 0.000 0.865 393 W CA -0.809 56.546 57.345 0.017 0.000 1.579 393 W CB 0.636 30.106 29.460 0.016 0.000 1.720 393 W HN -0.180 nan 8.180 nan 0.000 0.301 394 K N 2.561 123.022 120.400 0.101 0.000 2.276 394 K HA 0.207 3.977 4.320 -0.917 0.000 0.283 394 K C -0.192 176.476 176.600 0.113 0.000 1.044 394 K CA -1.096 55.242 56.287 0.085 0.000 0.944 394 K CB 1.048 33.562 32.500 0.022 0.000 1.012 394 K HN 0.296 nan 8.250 nan 0.000 0.472 395 L N 2.648 123.933 121.223 0.104 0.000 2.525 395 L HA -0.055 3.735 4.340 -0.917 0.000 0.278 395 L C 0.721 177.636 176.870 0.074 0.000 1.218 395 L CA 0.895 55.792 54.840 0.095 0.000 0.878 395 L CB 0.034 42.131 42.059 0.063 0.000 1.127 395 L HN 0.672 nan 8.230 nan 0.000 0.492 396 N N 3.607 122.357 118.700 0.083 0.000 2.920 396 N HA 0.005 4.194 4.740 -0.917 0.000 0.310 396 N C 1.214 176.750 175.510 0.043 0.000 1.384 396 N CA -0.027 53.064 53.050 0.068 0.000 1.083 396 N CB -0.103 38.441 38.487 0.096 0.000 1.389 396 N HN 0.733 nan 8.380 nan 0.000 0.521 397 K N 0.026 120.441 120.400 0.027 0.000 2.805 397 K HA -0.420 3.350 4.320 -0.917 0.000 0.196 397 K C 1.605 178.211 176.600 0.010 0.000 0.828 397 K CA 2.779 59.073 56.287 0.011 0.000 0.918 397 K CB -0.820 31.687 32.500 0.013 0.000 1.449 397 K HN 0.513 nan 8.250 nan 0.000 0.571 398 S N -0.436 115.278 115.700 0.023 0.000 2.354 398 S HA -0.213 3.706 4.470 -0.917 0.000 0.219 398 S C 2.159 176.774 174.600 0.024 0.000 1.035 398 S CA 2.495 60.709 58.200 0.024 0.000 1.037 398 S CB -1.525 61.694 63.200 0.031 0.000 0.956 398 S HN 0.686 nan 8.310 nan 0.000 0.428 399 T N -1.385 113.199 114.554 0.051 0.000 2.881 399 T HA 0.246 4.046 4.350 -0.917 0.000 0.270 399 T C 1.756 176.431 174.700 -0.042 0.000 1.068 399 T CA 1.390 63.540 62.100 0.083 0.000 1.131 399 T CB -1.242 67.740 68.868 0.190 0.000 0.871 399 T HN 1.589 nan 8.240 nan 0.000 0.479 400 G N 0.226 108.952 108.800 -0.123 0.000 2.143 400 G HA2 -0.197 3.212 3.960 -0.917 0.000 0.248 400 G HA3 -0.197 3.212 3.960 -0.917 0.000 0.248 400 G C -0.242 174.336 174.900 -0.538 0.000 0.991 400 G CA 0.312 45.220 45.100 -0.319 0.000 0.689 400 G HN 0.670 nan 8.290 nan 0.000 0.522 401 Y N -0.841 119.502 120.300 0.070 0.000 2.553 401 Y HA 0.693 4.692 4.550 -0.917 0.000 0.347 401 Y C 0.724 176.688 175.900 0.106 0.000 1.019 401 Y CA -1.379 56.770 58.100 0.081 0.000 1.032 401 Y CB 1.277 39.782 38.460 0.075 0.000 1.284 401 Y HN 0.148 nan 8.280 nan 0.000 0.466 402 R N 1.562 122.247 120.500 0.308 0.000 2.459 402 R HA 0.492 4.281 4.340 -0.917 0.000 0.281 402 R C -0.886 175.654 176.300 0.399 0.000 1.050 402 R CA -0.650 55.633 56.100 0.306 0.000 1.055 402 R CB 1.001 31.503 30.300 0.335 0.000 1.045 402 R HN 0.687 nan 8.270 nan 0.000 0.495 403 E N 1.326 121.708 120.200 0.302 0.000 2.336 403 E HA 0.398 4.198 4.350 -0.917 0.000 0.267 403 E C -1.180 175.331 176.600 -0.148 0.000 0.906 403 E CA -1.091 55.425 56.400 0.193 0.000 0.781 403 E CB 2.757 32.514 29.700 0.096 0.000 1.261 403 E HN 0.283 nan 8.360 nan 0.000 0.436 404 K N 1.585 121.708 120.400 -0.461 0.000 2.565 404 K HA 0.146 3.916 4.320 -0.917 0.000 0.251 404 K C -1.297 175.049 176.600 -0.423 0.000 0.956 404 K CA -0.451 55.400 56.287 -0.726 0.000 0.809 404 K CB 1.044 32.547 32.500 -1.661 0.000 1.267 404 K HN 0.471 nan 8.250 nan 0.000 0.438 405 D N 3.481 123.718 120.400 -0.271 0.000 2.708 405 D HA -0.203 3.887 4.640 -0.917 0.000 0.236 405 D C 0.687 176.927 176.300 -0.100 0.000 1.146 405 D CA 2.099 56.006 54.000 -0.155 0.000 0.662 405 D CB -1.079 39.639 40.800 -0.137 0.000 1.059 405 D HN 1.133 nan 8.370 nan 0.000 0.428 406 G N -0.772 107.978 108.800 -0.083 0.000 2.179 406 G HA2 -0.361 3.048 3.960 -0.917 0.000 0.260 406 G HA3 -0.361 3.048 3.960 -0.917 0.000 0.260 406 G C 0.258 175.159 174.900 0.002 0.000 0.977 406 G CA 0.719 45.800 45.100 -0.032 0.000 0.641 406 G HN 0.479 nan 8.290 nan 0.000 0.533 407 K N 0.743 121.150 120.400 0.012 0.000 2.244 407 K HA 0.512 4.281 4.320 -0.917 0.000 0.260 407 K C 0.100 176.806 176.600 0.176 0.000 0.951 407 K CA -0.661 55.673 56.287 0.078 0.000 0.826 407 K CB 2.038 34.590 32.500 0.088 0.000 1.108 407 K HN 0.306 nan 8.250 nan 0.000 0.433 408 E N 2.070 122.363 120.200 0.155 0.000 2.415 408 E HA -0.022 3.778 4.350 -0.917 0.000 0.262 408 E C -0.842 175.876 176.600 0.197 0.000 1.038 408 E CA -0.448 56.062 56.400 0.183 0.000 0.921 408 E CB 0.548 30.300 29.700 0.087 0.000 0.950 408 E HN 0.235 nan 8.360 nan 0.000 0.438 409 L N 4.119 125.439 121.223 0.161 0.000 2.328 409 L HA 0.236 4.026 4.340 -0.917 0.000 0.280 409 L C -0.873 175.909 176.870 -0.147 0.000 1.111 409 L CA 0.481 55.252 54.840 -0.115 0.000 0.909 409 L CB 0.412 42.216 42.059 -0.425 0.000 1.277 409 L HN 0.285 nan 8.230 nan 0.000 0.433 410 S N 5.233 120.853 115.700 -0.133 0.000 2.594 410 S HA 0.846 4.766 4.470 -0.917 0.000 0.296 410 S C -0.945 173.589 174.600 -0.111 0.000 1.124 410 S CA -0.585 57.532 58.200 -0.139 0.000 1.011 410 S CB 0.699 63.832 63.200 -0.112 0.000 1.016 410 S HN 0.486 nan 8.310 nan 0.000 0.485 411 L N 3.357 124.520 121.223 -0.101 0.000 2.376 411 L HA 0.716 4.506 4.340 -0.917 0.000 0.258 411 L C -1.010 175.881 176.870 0.034 0.000 1.013 411 L CA -1.196 53.607 54.840 -0.061 0.000 0.822 411 L CB 2.247 44.221 42.059 -0.142 0.000 1.388 411 L HN 0.359 nan 8.230 nan 0.000 0.413 412 V N 0.935 120.918 119.914 0.115 0.000 2.398 412 V HA 0.286 3.855 4.120 -0.917 0.000 0.286 412 V C -1.181 175.140 176.094 0.377 0.000 1.026 412 V CA -0.541 61.896 62.300 0.228 0.000 0.868 412 V CB 1.435 33.410 31.823 0.253 0.000 0.982 412 V HN 0.472 nan 8.190 nan 0.000 0.443 413 Y N 4.774 125.212 120.300 0.229 0.000 2.417 413 Y HA 0.654 4.654 4.550 -0.918 0.000 0.336 413 Y C 0.414 176.472 175.900 0.263 0.000 0.961 413 Y CA -2.075 56.181 58.100 0.259 0.000 1.215 413 Y CB 1.053 39.678 38.460 0.276 0.000 1.120 413 Y HN 0.676 nan 8.280 nan 0.000 0.499 414 A N 6.224 129.240 122.820 0.326 0.000 3.037 414 A HA 0.620 4.390 4.320 -0.917 0.000 0.272 414 A C 0.565 178.050 177.584 -0.163 0.000 1.723 414 A CA 0.110 52.170 52.037 0.037 0.000 1.413 414 A CB -1.383 17.536 19.000 -0.135 0.000 1.112 414 A HN 0.883 nan 8.150 nan 0.000 0.606 415 A N 2.443 124.947 122.820 -0.526 0.000 2.386 415 A HA 0.594 4.364 4.320 -0.917 0.000 0.248 415 A C 0.756 178.159 177.584 -0.301 0.000 1.082 415 A CA -0.341 51.347 52.037 -0.582 0.000 0.789 415 A CB 0.229 18.770 19.000 -0.766 0.000 1.025 415 A HN 0.963 nan 8.150 nan 0.000 0.490 416 R N 1.290 121.618 120.500 -0.287 0.000 2.807 416 R HA 0.651 4.440 4.340 -0.917 0.000 0.276 416 R C -1.193 174.990 176.300 -0.194 0.000 0.979 416 R CA -0.716 55.228 56.100 -0.260 0.000 0.928 416 R CB 0.812 30.837 30.300 -0.458 0.000 1.191 416 R HN 0.355 nan 8.270 nan 0.000 0.471 417 V N 1.140 120.974 119.914 -0.134 0.000 3.332 417 V HA 0.241 3.811 4.120 -0.917 0.000 0.305 417 V C 1.439 177.467 176.094 -0.111 0.000 1.114 417 V CA 1.854 64.092 62.300 -0.103 0.000 1.194 417 V CB 0.947 32.733 31.823 -0.061 0.000 1.027 417 V HN 1.161 nan 8.190 nan 0.000 0.492 418 G N 1.711 110.449 108.800 -0.103 0.000 3.330 418 G HA2 -0.149 3.261 3.960 -0.917 0.000 0.197 418 G HA3 -0.149 3.261 3.960 -0.917 0.000 0.197 418 G C 0.038 174.875 174.900 -0.105 0.000 1.284 418 G CA 0.135 45.166 45.100 -0.116 0.000 0.921 418 G HN 0.758 nan 8.290 nan 0.000 0.466 419 D N 2.108 122.445 120.400 -0.105 0.000 2.348 419 D HA 0.609 4.699 4.640 -0.917 0.000 0.253 419 D C 1.718 177.957 176.300 -0.101 0.000 1.161 419 D CA 0.798 54.742 54.000 -0.094 0.000 0.876 419 D CB 1.156 41.903 40.800 -0.090 0.000 1.160 419 D HN 0.754 nan 8.370 nan 0.000 0.459 420 A N 4.739 127.510 122.820 -0.082 0.000 2.001 420 A HA -0.310 3.460 4.320 -0.917 0.000 0.224 420 A C 1.449 178.961 177.584 -0.118 0.000 1.203 420 A CA 2.047 54.037 52.037 -0.078 0.000 0.667 420 A CB -0.579 18.392 19.000 -0.048 0.000 0.823 420 A HN 0.787 nan 8.150 nan 0.000 0.473 421 N N -1.516 117.076 118.700 -0.180 0.000 2.401 421 N HA 0.509 4.699 4.740 -0.917 0.000 0.264 421 N C 1.078 176.408 175.510 -0.301 0.000 1.238 421 N CA 0.408 53.275 53.050 -0.305 0.000 0.889 421 N CB 0.498 38.642 38.487 -0.571 0.000 1.196 421 N HN 0.437 nan 8.380 nan 0.000 0.511 422 A N 1.031 123.734 122.820 -0.195 0.000 1.884 422 A HA -0.233 3.537 4.320 -0.917 0.000 0.219 422 A C 2.086 179.574 177.584 -0.161 0.000 1.197 422 A CA 1.430 53.369 52.037 -0.162 0.000 0.637 422 A CB -0.204 18.718 19.000 -0.130 0.000 0.827 422 A HN 0.262 nan 8.150 nan 0.000 0.450 423 E N -0.714 119.399 120.200 -0.145 0.000 2.058 423 E HA -0.144 3.656 4.350 -0.917 0.000 0.194 423 E C 2.220 178.740 176.600 -0.133 0.000 0.997 423 E CA 1.845 58.176 56.400 -0.116 0.000 0.801 423 E CB -0.762 28.885 29.700 -0.089 0.000 0.746 423 E HN 0.651 nan 8.360 nan 0.000 0.450 424 T N 1.528 115.962 114.554 -0.199 0.000 2.777 424 T HA -0.062 3.738 4.350 -0.917 0.000 0.266 424 T C 2.157 176.699 174.700 -0.263 0.000 1.040 424 T CA 0.795 62.762 62.100 -0.222 0.000 1.141 424 T CB -0.174 68.501 68.868 -0.320 0.000 0.868 424 T HN 0.078 nan 8.240 nan 0.000 0.444 425 I N 1.365 121.718 120.570 -0.361 0.000 2.226 425 I HA -0.150 3.470 4.170 -0.917 0.000 0.245 425 I C 2.846 178.732 176.117 -0.386 0.000 1.100 425 I CA 1.051 62.100 61.300 -0.419 0.000 1.374 425 I CB -0.390 37.385 38.000 -0.376 0.000 1.057 425 I HN 0.184 nan 8.210 nan 0.000 0.413 426 A N -0.116 122.623 122.820 -0.136 0.000 1.898 426 A HA -0.209 3.561 4.320 -0.917 0.000 0.216 426 A C 2.283 179.934 177.584 0.112 0.000 1.181 426 A CA 1.240 53.340 52.037 0.104 0.000 0.620 426 A CB -0.437 18.592 19.000 0.048 0.000 0.819 426 A HN 0.348 nan 8.150 nan 0.000 0.442 427 Q N 0.029 119.834 119.800 0.008 0.000 2.096 427 Q HA -0.176 3.613 4.340 -0.917 0.000 0.204 427 Q C 1.995 177.993 176.000 -0.003 0.000 0.982 427 Q CA 1.404 57.224 55.803 0.028 0.000 0.850 427 Q CB -0.605 28.134 28.738 0.003 0.000 0.901 427 Q HN 0.692 nan 8.270 nan 0.000 0.422 428 N N -0.055 118.583 118.700 -0.104 0.000 2.061 428 N HA -0.177 4.013 4.740 -0.917 0.000 0.193 428 N C 1.765 177.200 175.510 -0.125 0.000 1.030 428 N CA 1.277 54.246 53.050 -0.135 0.000 0.856 428 N CB -0.140 38.201 38.487 -0.244 0.000 1.023 428 N HN 0.246 nan 8.380 nan 0.000 0.424 429 Y N 1.482 121.659 120.300 -0.206 0.000 2.145 429 Y HA -0.036 3.964 4.550 -0.918 0.000 0.286 429 Y C 2.496 178.080 175.900 -0.527 0.000 1.145 429 Y CA 0.317 58.051 58.100 -0.609 0.000 1.148 429 Y CB -0.889 37.114 38.460 -0.761 0.000 0.981 429 Y HN 0.059 nan 8.280 nan 0.000 0.507 430 I N -0.237 120.412 120.570 0.131 0.000 2.248 430 I HA -0.346 3.274 4.170 -0.917 0.000 0.248 430 I C 2.260 178.515 176.117 0.229 0.000 1.107 430 I CA 1.341 62.845 61.300 0.339 0.000 1.373 430 I CB -0.322 37.871 38.000 0.322 0.000 1.055 430 I HN 0.246 nan 8.210 nan 0.000 0.418 431 Q N 0.094 119.960 119.800 0.110 0.000 2.123 431 Q HA -0.151 3.639 4.340 -0.917 0.000 0.199 431 Q C 2.220 178.264 176.000 0.074 0.000 0.966 431 Q CA 1.101 56.962 55.803 0.096 0.000 0.845 431 Q CB -0.326 28.446 28.738 0.057 0.000 0.907 431 Q HN 0.495 nan 8.270 nan 0.000 0.439 432 Q N -0.856 118.936 119.800 -0.013 0.000 2.124 432 Q HA -0.122 3.668 4.340 -0.917 0.000 0.202 432 Q C 1.813 177.849 176.000 0.060 0.000 0.977 432 Q CA 0.906 56.681 55.803 -0.047 0.000 0.850 432 Q CB -0.302 28.323 28.738 -0.190 0.000 0.901 432 Q HN 0.467 nan 8.270 nan 0.000 0.429 433 W N 1.185 122.550 121.300 0.109 0.000 2.409 433 W HA 0.003 4.112 4.660 -0.918 0.000 0.299 433 W C 2.194 178.784 176.519 0.118 0.000 1.203 433 W CA 0.578 57.976 57.345 0.088 0.000 1.298 433 W CB -0.703 28.797 29.460 0.066 0.000 1.127 433 W HN 0.220 nan 8.180 nan 0.000 0.528 434 K N 1.215 121.826 120.400 0.353 0.000 2.059 434 K HA -0.252 3.518 4.320 -0.917 0.000 0.212 434 K C 1.953 178.644 176.600 0.152 0.000 1.050 434 K CA 2.354 58.808 56.287 0.280 0.000 0.927 434 K CB -0.243 32.393 32.500 0.227 0.000 0.714 434 K HN -0.063 nan 8.250 nan 0.000 0.447 435 K N 0.329 120.804 120.400 0.124 0.000 2.173 435 K HA -0.177 3.593 4.320 -0.917 0.000 0.207 435 K C 1.864 178.519 176.600 0.090 0.000 1.046 435 K CA 1.916 58.253 56.287 0.082 0.000 0.929 435 K CB -0.405 32.138 32.500 0.072 0.000 0.720 435 K HN 0.524 nan 8.250 nan 0.000 0.453 436 I N -3.537 117.117 120.570 0.140 0.000 3.861 436 I HA 0.308 3.928 4.170 -0.917 0.000 0.329 436 I C 0.553 176.746 176.117 0.126 0.000 1.321 436 I CA 0.092 61.469 61.300 0.129 0.000 1.126 436 I CB 0.328 38.420 38.000 0.153 0.000 1.018 436 I HN 0.156 nan 8.210 nan 0.000 0.407 437 G N 1.411 110.294 108.800 0.139 0.000 2.149 437 G HA2 -0.182 3.227 3.960 -0.917 0.000 0.235 437 G HA3 -0.182 3.227 3.960 -0.917 0.000 0.235 437 G C -0.127 174.960 174.900 0.311 0.000 1.018 437 G CA 0.071 45.276 45.100 0.176 0.000 0.728 437 G HN 0.327 nan 8.290 nan 0.000 0.508 438 V N 0.440 120.532 119.914 0.296 0.000 2.417 438 V HA 0.534 4.104 4.120 -0.917 0.000 0.291 438 V C 0.501 176.719 176.094 0.206 0.000 1.024 438 V CA -0.920 61.480 62.300 0.166 0.000 0.861 438 V CB 1.895 33.710 31.823 -0.012 0.000 0.985 438 V HN 0.338 nan 8.190 nan 0.000 0.436 439 K N 3.911 124.264 120.400 -0.078 0.000 2.253 439 K HA 0.669 4.439 4.320 -0.917 0.000 0.277 439 K C -1.403 175.147 176.600 -0.084 0.000 1.053 439 K CA -0.287 55.845 56.287 -0.258 0.000 0.892 439 K CB 1.339 33.395 32.500 -0.740 0.000 1.102 439 K HN 0.518 nan 8.250 nan 0.000 0.469 440 V N 2.969 122.921 119.914 0.063 0.000 2.588 440 V HA 0.364 3.934 4.120 -0.917 0.000 0.304 440 V C -0.805 175.397 176.094 0.179 0.000 1.042 440 V CA -0.749 61.627 62.300 0.127 0.000 0.877 440 V CB 2.061 34.033 31.823 0.249 0.000 0.996 440 V HN 0.818 nan 8.190 nan 0.000 0.425 441 S N 4.172 119.970 115.700 0.165 0.000 2.568 441 S HA 0.715 4.635 4.470 -0.917 0.000 0.293 441 S C -0.534 174.179 174.600 0.189 0.000 1.089 441 S CA -0.692 57.598 58.200 0.151 0.000 0.945 441 S CB 1.803 65.048 63.200 0.076 0.000 1.077 441 S HN 0.538 nan 8.310 nan 0.000 0.485 442 L N 2.153 123.462 121.223 0.144 0.000 2.456 442 L HA 0.215 4.005 4.340 -0.917 0.000 0.272 442 L C -0.032 176.901 176.870 0.106 0.000 1.189 442 L CA -0.409 54.497 54.840 0.109 0.000 0.846 442 L CB 0.074 42.160 42.059 0.044 0.000 1.111 442 L HN 0.697 nan 8.230 nan 0.000 0.475 443 Y N 4.742 125.053 120.300 0.018 0.000 2.745 443 Y HA -0.144 3.857 4.550 -0.916 0.000 0.335 443 Y C 1.006 176.893 175.900 -0.021 0.000 1.212 443 Y CA 0.189 58.295 58.100 0.010 0.000 1.535 443 Y CB -0.179 38.261 38.460 -0.033 0.000 1.220 443 Y HN 0.653 nan 8.280 nan 0.000 0.531 444 N N 4.070 122.525 118.700 -0.407 0.000 2.696 444 N HA -0.228 3.961 4.740 -0.917 0.000 0.249 444 N C 0.995 176.457 175.510 -0.079 0.000 1.090 444 N CA 1.504 54.414 53.050 -0.234 0.000 0.716 444 N CB -1.389 36.974 38.487 -0.207 0.000 1.020 444 N HN 1.217 nan 8.380 nan 0.000 0.548 445 G N -0.917 107.859 108.800 -0.040 0.000 2.175 445 G HA2 -0.381 3.029 3.960 -0.917 0.000 0.265 445 G HA3 -0.381 3.029 3.960 -0.917 0.000 0.265 445 G C 0.047 174.947 174.900 0.000 0.000 0.979 445 G CA 1.433 46.528 45.100 -0.009 0.000 0.663 445 G HN 0.895 nan 8.290 nan 0.000 0.533 446 K N -0.908 119.495 120.400 0.005 0.000 2.495 446 K HA 0.773 4.542 4.320 -0.917 0.000 0.268 446 K C -0.128 176.468 176.600 -0.008 0.000 1.008 446 K CA -1.391 54.895 56.287 -0.002 0.000 0.882 446 K CB 1.343 33.841 32.500 -0.002 0.000 1.443 446 K HN 0.088 nan 8.250 nan 0.000 0.447 447 L N 1.696 122.896 121.223 -0.038 0.000 2.439 447 L HA 0.241 4.030 4.340 -0.917 0.000 0.269 447 L C 0.433 177.274 176.870 -0.048 0.000 1.179 447 L CA -0.355 54.443 54.840 -0.070 0.000 0.828 447 L CB 0.386 42.391 42.059 -0.089 0.000 1.106 447 L HN 0.512 nan 8.230 nan 0.000 0.467 448 M N 1.987 121.545 119.600 -0.070 0.000 2.274 448 M HA 0.189 4.119 4.480 -0.917 0.000 0.344 448 M C 0.105 176.379 176.300 -0.043 0.000 1.161 448 M CA -0.486 54.782 55.300 -0.055 0.000 1.126 448 M CB 0.970 33.521 32.600 -0.081 0.000 1.522 448 M HN 0.457 nan 8.290 nan 0.000 0.461 449 E N 1.203 121.393 120.200 -0.017 0.000 2.390 449 E HA -0.005 3.795 4.350 -0.917 0.000 0.261 449 E C 0.407 177.038 176.600 0.053 0.000 1.076 449 E CA 0.039 56.449 56.400 0.017 0.000 0.905 449 E CB 0.652 30.363 29.700 0.019 0.000 0.984 449 E HN 0.582 nan 8.360 nan 0.000 0.427 450 F N 3.489 123.411 119.950 -0.048 0.000 2.043 450 F HA -0.288 3.690 4.527 -0.915 0.000 0.297 450 F C 1.575 177.410 175.800 0.059 0.000 1.121 450 F CA 1.953 59.940 58.000 -0.022 0.000 1.199 450 F CB -0.118 38.844 39.000 -0.062 0.000 0.968 450 F HN 0.375 nan 8.300 nan 0.000 0.478 451 N N -0.213 118.465 118.700 -0.037 0.000 2.223 451 N HA -0.177 4.013 4.740 -0.917 0.000 0.185 451 N C 2.139 177.551 175.510 -0.163 0.000 1.016 451 N CA 1.327 54.297 53.050 -0.134 0.000 0.863 451 N CB -0.798 37.696 38.487 0.011 0.000 0.983 451 N HN 0.385 nan 8.380 nan 0.000 0.429 452 S N -0.547 115.091 115.700 -0.104 0.000 2.371 452 S HA -0.119 3.801 4.470 -0.917 0.000 0.224 452 S C 1.760 176.248 174.600 -0.188 0.000 1.029 452 S CA 0.791 58.922 58.200 -0.115 0.000 0.978 452 S CB -0.344 62.808 63.200 -0.080 0.000 0.833 452 S HN 0.553 nan 8.310 nan 0.000 0.466 453 W N 1.800 122.863 121.300 -0.396 0.000 2.355 453 W HA -0.108 4.000 4.660 -0.918 0.000 0.309 453 W C 1.981 178.153 176.519 -0.578 0.000 1.206 453 W CA 1.636 58.682 57.345 -0.497 0.000 1.284 453 W CB -0.713 28.454 29.460 -0.489 0.000 1.145 453 W HN 0.095 nan 8.180 nan 0.000 0.502 454 V N 1.401 120.956 119.914 -0.597 0.000 2.255 454 V HA -0.367 3.203 4.120 -0.917 0.000 0.247 454 V C 2.123 177.846 176.094 -0.618 0.000 1.051 454 V CA 2.502 64.343 62.300 -0.764 0.000 1.018 454 V CB -1.109 30.374 31.823 -0.565 0.000 0.641 454 V HN 0.090 nan 8.190 nan 0.000 0.445 455 D N -1.043 119.123 120.400 -0.390 0.000 2.133 455 D HA -0.230 3.859 4.640 -0.917 0.000 0.192 455 D C 2.100 178.221 176.300 -0.298 0.000 1.001 455 D CA 1.938 55.780 54.000 -0.263 0.000 0.844 455 D CB -0.424 40.285 40.800 -0.151 0.000 0.944 455 D HN 0.585 nan 8.370 nan 0.000 0.447 456 H N -0.676 118.105 119.070 -0.481 0.000 2.353 456 H HA -0.022 3.984 4.556 -0.918 0.000 0.300 456 H C 1.876 176.882 175.328 -0.537 0.000 1.090 456 H CA 1.337 57.099 56.048 -0.477 0.000 1.327 456 H CB 0.089 29.493 29.762 -0.595 0.000 1.383 456 H HN 0.008 nan 8.280 nan 0.000 0.508 457 M N -0.812 118.278 119.600 -0.850 0.000 2.334 457 M HA -0.005 3.924 4.480 -0.917 0.000 0.266 457 M C 1.932 177.899 176.300 -0.554 0.000 1.082 457 M CA 1.495 56.193 55.300 -1.004 0.000 1.141 457 M CB -0.770 30.565 32.600 -2.108 0.000 1.380 457 M HN 0.462 nan 8.290 nan 0.000 0.440 458 T N -3.676 110.615 114.554 -0.438 0.000 3.022 458 T HA 0.107 3.906 4.350 -0.917 0.000 0.250 458 T C 0.662 175.329 174.700 -0.055 0.000 1.060 458 T CA -0.023 61.984 62.100 -0.154 0.000 1.013 458 T CB -0.408 68.385 68.868 -0.126 0.000 0.982 458 T HN 0.116 nan 8.240 nan 0.000 0.508 459 T N 5.117 119.611 114.554 -0.100 0.000 2.727 459 T HA 0.383 4.182 4.350 -0.917 0.000 0.295 459 T C -2.568 172.145 174.700 0.022 0.000 0.915 459 T CA -0.964 61.114 62.100 -0.037 0.000 1.066 459 T CB 0.779 69.605 68.868 -0.070 0.000 0.891 459 T HN 0.225 nan 8.240 nan 0.000 0.516 460 P HA 0.162 nan 4.420 nan 0.000 0.269 460 P C -1.684 175.656 177.300 0.066 0.000 1.209 460 P CA -1.241 61.944 63.100 0.141 0.000 0.776 460 P CB 0.183 32.023 31.700 0.234 0.000 0.876 461 P HA 0.172 nan 4.420 nan 0.000 0.255 461 P C 0.174 177.508 177.300 0.056 0.000 1.248 461 P CA 0.367 63.516 63.100 0.081 0.000 0.807 461 P CB 0.049 31.774 31.700 0.041 0.000 1.150 462 G N -0.088 108.753 108.800 0.068 0.000 2.617 462 G HA2 0.233 3.643 3.960 -0.917 0.000 0.686 462 G HA3 0.233 3.643 3.960 -0.917 0.000 0.686 462 G C -0.620 174.317 174.900 0.062 0.000 1.214 462 G CA -0.566 44.615 45.100 0.134 0.000 0.796 462 G HN 0.337 nan 8.290 nan 0.000 0.654 463 A N 0.136 122.995 122.820 0.065 0.000 2.271 463 A HA 0.775 4.545 4.320 -0.917 0.000 0.288 463 A C 0.946 178.565 177.584 0.058 0.000 1.094 463 A CA 0.379 52.442 52.037 0.043 0.000 0.828 463 A CB 1.182 20.141 19.000 -0.068 0.000 1.091 463 A HN 1.569 nan 8.150 nan 0.000 0.493 464 N N -0.782 117.954 118.700 0.060 0.000 2.204 464 N HA 0.044 4.234 4.740 -0.917 0.000 0.219 464 N C -0.134 175.403 175.510 0.044 0.000 1.151 464 N CA 0.581 53.629 53.050 -0.004 0.000 0.867 464 N CB 0.429 38.918 38.487 0.003 0.000 1.043 464 N HN 0.622 nan 8.380 nan 0.000 0.516 465 D N -0.833 119.693 120.400 0.211 0.000 2.462 465 D HA 0.039 4.129 4.640 -0.917 0.000 0.221 465 D C -0.190 176.423 176.300 0.522 0.000 1.173 465 D CA -0.549 53.641 54.000 0.316 0.000 0.831 465 D CB -0.534 40.496 40.800 0.383 0.000 1.001 465 D HN 0.264 nan 8.370 nan 0.000 0.499 466 W N 0.194 121.664 121.300 0.283 0.000 2.962 466 W HA 0.565 4.675 4.660 -0.916 0.000 0.341 466 W C -0.789 175.842 176.519 0.187 0.000 1.155 466 W CA -0.690 56.812 57.345 0.263 0.000 1.165 466 W CB 0.913 30.524 29.460 0.253 0.000 1.435 466 W HN -0.346 nan 8.180 nan 0.000 0.546 467 D N 0.848 121.423 120.400 0.292 0.000 2.766 467 D HA 0.230 4.320 4.640 -0.917 0.000 0.284 467 D C 0.308 176.828 176.300 0.366 0.000 1.050 467 D CA 0.724 54.778 54.000 0.091 0.000 0.945 467 D CB 1.547 42.377 40.800 0.052 0.000 1.272 467 D HN 0.167 nan 8.370 nan 0.000 0.482 468 I N 0.579 121.497 120.570 0.580 0.000 2.474 468 I HA 0.296 3.916 4.170 -0.917 0.000 0.294 468 I C -0.029 176.521 176.117 0.723 0.000 1.005 468 I CA -0.177 61.470 61.300 0.580 0.000 1.113 468 I CB 2.460 40.569 38.000 0.181 0.000 1.289 468 I HN -0.210 nan 8.210 nan 0.000 0.436 469 T N 3.331 118.237 114.554 0.586 0.000 2.812 469 T HA 0.394 4.194 4.350 -0.917 0.000 0.294 469 T C -1.808 173.153 174.700 0.435 0.000 1.159 469 T CA -0.618 61.715 62.100 0.390 0.000 1.008 469 T CB 1.674 70.492 68.868 -0.083 0.000 1.289 469 T HN 0.487 nan 8.240 nan 0.000 0.514 470 D N 0.415 121.019 120.400 0.340 0.000 2.350 470 D HA 0.617 4.707 4.640 -0.917 0.000 0.245 470 D C -0.231 176.182 176.300 0.188 0.000 1.036 470 D CA -0.205 53.955 54.000 0.267 0.000 0.848 470 D CB 1.894 42.785 40.800 0.152 0.000 1.307 470 D HN 0.748 nan 8.370 nan 0.000 0.469 471 G N -0.465 108.534 108.800 0.333 0.000 2.619 471 G HA2 0.611 4.021 3.960 -0.917 0.000 0.296 471 G HA3 0.611 4.021 3.960 -0.917 0.000 0.296 471 G C -1.171 173.734 174.900 0.008 0.000 1.334 471 G CA -0.736 44.509 45.100 0.243 0.000 0.934 471 G HN 0.419 nan 8.290 nan 0.000 0.476 472 S N -0.766 114.742 115.700 -0.320 0.000 2.546 472 S HA 0.714 4.633 4.470 -0.917 0.000 0.272 472 S C -1.776 172.507 174.600 -0.529 0.000 1.140 472 S CA -0.918 57.069 58.200 -0.355 0.000 0.920 472 S CB 1.324 64.399 63.200 -0.208 0.000 1.083 472 S HN 0.664 nan 8.310 nan 0.000 0.476 473 W N 1.112 122.339 121.300 -0.122 0.000 2.785 473 W HA 0.582 4.689 4.660 -0.921 0.000 0.333 473 W C -0.436 176.078 176.519 -0.008 0.000 1.062 473 W CA -0.722 56.618 57.345 -0.008 0.000 1.233 473 W CB 2.164 31.643 29.460 0.031 0.000 1.413 473 W HN 0.678 nan 8.180 nan 0.000 0.489 474 S N 3.517 119.418 115.700 0.334 0.000 2.399 474 S HA 0.472 4.392 4.470 -0.917 0.000 0.301 474 S C -0.309 174.436 174.600 0.243 0.000 1.093 474 S CA -0.700 57.670 58.200 0.283 0.000 1.077 474 S CB -0.035 63.297 63.200 0.219 0.000 0.980 474 S HN 0.289 nan 8.310 nan 0.000 0.494 475 L N 2.731 124.081 121.223 0.212 0.000 2.371 475 L HA 0.525 4.314 4.340 -0.917 0.000 0.272 475 L C 0.876 177.790 176.870 0.074 0.000 1.124 475 L CA -0.667 54.257 54.840 0.140 0.000 0.816 475 L CB 0.468 42.631 42.059 0.174 0.000 1.129 475 L HN 0.690 nan 8.230 nan 0.000 0.448 476 A N 1.460 124.284 122.820 0.008 0.000 2.313 476 A HA 0.280 4.050 4.320 -0.917 0.000 0.261 476 A C 1.090 178.643 177.584 -0.052 0.000 1.090 476 A CA 0.038 52.042 52.037 -0.056 0.000 0.807 476 A CB 0.393 19.343 19.000 -0.083 0.000 1.055 476 A HN 0.861 nan 8.150 nan 0.000 0.492 477 S N -0.648 114.948 115.700 -0.173 0.000 2.603 477 S HA 0.016 3.936 4.470 -0.917 0.000 0.229 477 S C 0.366 175.017 174.600 0.084 0.000 0.972 477 S CA 0.897 58.976 58.200 -0.201 0.000 0.935 477 S CB -0.235 62.485 63.200 -0.800 0.000 0.769 477 S HN 0.740 nan 8.310 nan 0.000 0.536 478 E N 3.020 123.203 120.200 -0.028 0.000 2.063 478 E HA 0.310 4.110 4.350 -0.917 0.000 0.265 478 E C -2.681 173.806 176.600 -0.189 0.000 0.919 478 E CA -2.715 53.648 56.400 -0.062 0.000 0.756 478 E CB 1.118 30.775 29.700 -0.072 0.000 1.120 478 E HN 0.061 nan 8.360 nan 0.000 0.414 479 P HA 0.058 nan 4.420 nan 0.000 0.225 479 P C -0.404 176.757 177.300 -0.232 0.000 1.768 479 P CA -0.251 62.581 63.100 -0.448 0.000 0.943 479 P CB -0.025 31.084 31.700 -0.984 0.000 1.936 480 S N 1.386 116.980 115.700 -0.177 0.000 2.525 480 S HA 0.002 3.921 4.470 -0.917 0.000 0.285 480 S C 1.321 175.835 174.600 -0.143 0.000 1.283 480 S CA -0.121 57.991 58.200 -0.146 0.000 1.072 480 S CB 0.222 63.326 63.200 -0.160 0.000 0.867 480 S HN 0.186 nan 8.310 nan 0.000 0.492 481 Q N 3.151 122.875 119.800 -0.126 0.000 2.408 481 Q HA 0.054 3.844 4.340 -0.917 0.000 0.205 481 Q C 1.820 177.764 176.000 -0.093 0.000 0.919 481 Q CA 0.343 56.117 55.803 -0.049 0.000 0.932 481 Q CB -0.037 28.668 28.738 -0.055 0.000 1.058 481 Q HN 0.737 nan 8.270 nan 0.000 0.517 482 Q N 1.338 121.046 119.800 -0.153 0.000 2.061 482 Q HA -0.161 3.629 4.340 -0.917 0.000 0.204 482 Q C 1.469 177.362 176.000 -0.179 0.000 0.984 482 Q CA 1.646 57.367 55.803 -0.136 0.000 0.846 482 Q CB -0.170 28.492 28.738 -0.126 0.000 0.902 482 Q HN 0.620 nan 8.270 nan 0.000 0.421 483 D N -0.467 119.788 120.400 -0.241 0.000 2.363 483 D HA -0.090 4.000 4.640 -0.917 0.000 0.220 483 D C 1.700 177.747 176.300 -0.422 0.000 0.994 483 D CA 0.446 54.260 54.000 -0.310 0.000 0.890 483 D CB -0.011 40.599 40.800 -0.316 0.000 0.906 483 D HN 0.266 nan 8.370 nan 0.000 0.530 484 L N -1.646 119.258 121.223 -0.532 0.000 2.467 484 L HA 0.177 3.967 4.340 -0.917 0.000 0.213 484 L C 1.125 177.455 176.870 -0.901 0.000 1.053 484 L CA 0.274 54.563 54.840 -0.917 0.000 0.847 484 L CB 0.108 41.309 42.059 -1.429 0.000 1.075 484 L HN -0.137 nan 8.230 nan 0.000 0.479 485 F N -0.733 119.174 119.950 -0.071 0.000 2.798 485 F HA 0.193 4.170 4.527 -0.917 0.000 0.328 485 F C 1.437 177.180 175.800 -0.095 0.000 1.098 485 F CA -0.789 57.225 58.000 0.023 0.000 1.172 485 F CB -0.058 39.111 39.000 0.281 0.000 1.072 485 F HN -0.128 nan 8.300 nan 0.000 0.555 486 S N 0.546 116.238 115.700 -0.014 0.000 2.624 486 S HA 0.522 4.442 4.470 -0.917 0.000 0.263 486 S C 1.582 176.105 174.600 -0.127 0.000 1.287 486 S CA -0.062 58.108 58.200 -0.051 0.000 0.990 486 S CB 1.496 64.663 63.200 -0.056 0.000 0.950 486 S HN 0.176 nan 8.310 nan 0.000 0.561 487 A N 1.124 123.885 122.820 -0.097 0.000 2.019 487 A HA 0.237 4.007 4.320 -0.917 0.000 0.219 487 A C 2.122 179.695 177.584 -0.018 0.000 1.164 487 A CA 1.464 53.443 52.037 -0.096 0.000 0.644 487 A CB -1.318 17.647 19.000 -0.059 0.000 0.805 487 A HN 1.375 nan 8.150 nan 0.000 0.449 488 A N -1.099 121.720 122.820 -0.002 0.000 2.308 488 A HA 0.638 4.408 4.320 -0.917 0.000 0.217 488 A C 1.146 178.790 177.584 0.099 0.000 1.216 488 A CA 0.588 52.667 52.037 0.070 0.000 0.864 488 A CB -0.511 18.505 19.000 0.026 0.000 0.902 488 A HN 0.851 nan 8.150 nan 0.000 0.499 489 A N 0.723 123.527 122.820 -0.026 0.000 2.366 489 A HA 0.571 4.341 4.320 -0.917 0.000 0.272 489 A C -1.436 175.965 177.584 -0.304 0.000 1.135 489 A CA -1.286 50.660 52.037 -0.153 0.000 0.804 489 A CB 0.345 19.222 19.000 -0.206 0.000 1.064 489 A HN 0.123 nan 8.150 nan 0.000 0.499 490 P HA -0.116 nan 4.420 nan 0.000 0.222 490 P C 0.440 177.678 177.300 -0.103 0.000 1.147 490 P CA 1.189 63.894 63.100 -0.659 0.000 0.790 490 P CB 0.065 31.538 31.700 -0.379 0.000 0.780 491 Y N -1.268 118.832 120.300 -0.334 0.000 2.490 491 Y HA 0.113 4.112 4.550 -0.919 0.000 0.281 491 Y C 1.108 176.574 175.900 -0.723 0.000 1.174 491 Y CA -0.666 57.167 58.100 -0.444 0.000 1.295 491 Y CB -1.249 36.971 38.460 -0.401 0.000 1.062 491 Y HN -0.040 nan 8.280 nan 0.000 0.522 492 N N 1.186 119.723 118.700 -0.270 0.000 2.744 492 N HA -0.075 4.114 4.740 -0.917 0.000 0.290 492 N C 0.543 175.966 175.510 -0.145 0.000 1.206 492 N CA 0.155 53.103 53.050 -0.170 0.000 1.119 492 N CB -0.647 37.748 38.487 -0.153 0.000 1.449 492 N HN -0.046 nan 8.380 nan 0.000 0.514 493 F N 0.484 120.351 119.950 -0.139 0.000 2.202 493 F HA -0.002 3.974 4.527 -0.918 0.000 0.301 493 F C 2.357 177.903 175.800 -0.423 0.000 1.082 493 F CA 1.155 58.941 58.000 -0.357 0.000 1.313 493 F CB -0.898 37.771 39.000 -0.552 0.000 1.024 493 F HN 0.479 nan 8.300 nan 0.000 0.495 494 G N -2.630 106.250 108.800 0.134 0.000 2.777 494 G HA2 -0.058 3.352 3.960 -0.917 0.000 0.211 494 G HA3 -0.058 3.352 3.960 -0.917 0.000 0.211 494 G C -0.017 174.926 174.900 0.072 0.000 1.149 494 G CA 0.368 45.580 45.100 0.187 0.000 0.785 494 G HN 0.535 nan 8.290 nan 0.000 0.536 495 H N -1.146 118.061 119.070 0.228 0.000 2.880 495 H HA -0.168 3.837 4.556 -0.917 0.000 0.304 495 H C 0.267 175.599 175.328 0.007 0.000 1.259 495 H CA 0.778 56.867 56.048 0.067 0.000 1.153 495 H CB -2.626 27.177 29.762 0.069 0.000 1.395 495 H HN 0.599 nan 8.280 nan 0.000 0.420 496 F N 0.317 120.287 119.950 0.033 0.000 2.406 496 F HA 0.556 4.533 4.527 -0.918 0.000 0.327 496 F C 0.383 176.094 175.800 -0.149 0.000 1.153 496 F CA -0.856 57.026 58.000 -0.196 0.000 1.218 496 F CB 0.864 39.540 39.000 -0.541 0.000 1.215 496 F HN 0.079 nan 8.300 nan 0.000 0.570 497 N N 2.092 120.755 118.700 -0.062 0.000 2.599 497 N HA 0.166 4.356 4.740 -0.917 0.000 0.283 497 N C -2.565 172.980 175.510 0.059 0.000 1.160 497 N CA -0.411 52.608 53.050 -0.053 0.000 0.869 497 N CB 1.175 39.622 38.487 -0.067 0.000 1.448 497 N HN 0.905 nan 8.380 nan 0.000 0.535 498 D N 1.952 122.448 120.400 0.159 0.000 2.788 498 D HA 0.277 4.367 4.640 -0.917 0.000 0.247 498 D C 0.167 176.569 176.300 0.170 0.000 1.236 498 D CA -0.251 53.875 54.000 0.211 0.000 0.898 498 D CB 1.794 42.825 40.800 0.386 0.000 1.401 498 D HN 0.346 nan 8.370 nan 0.000 0.549 499 S N 2.615 118.388 115.700 0.121 0.000 2.382 499 S HA -0.174 3.745 4.470 -0.917 0.000 0.228 499 S C 1.566 176.224 174.600 0.097 0.000 1.027 499 S CA 1.007 59.261 58.200 0.089 0.000 0.991 499 S CB 0.089 63.328 63.200 0.065 0.000 0.823 499 S HN 0.703 nan 8.310 nan 0.000 0.469 500 E N 0.804 121.071 120.200 0.112 0.000 2.072 500 E HA -0.127 3.673 4.350 -0.917 0.000 0.191 500 E C 1.777 178.454 176.600 0.128 0.000 0.985 500 E CA 0.946 57.407 56.400 0.100 0.000 0.801 500 E CB -0.033 29.719 29.700 0.086 0.000 0.750 500 E HN 0.303 nan 8.360 nan 0.000 0.452 501 I N 1.415 122.099 120.570 0.190 0.000 2.226 501 I HA -0.197 3.423 4.170 -0.917 0.000 0.245 501 I C 2.364 178.609 176.117 0.213 0.000 1.100 501 I CA 1.288 62.741 61.300 0.255 0.000 1.374 501 I CB -1.591 36.653 38.000 0.408 0.000 1.057 501 I HN 0.173 nan 8.210 nan 0.000 0.413 502 T N 0.919 115.569 114.554 0.160 0.000 2.720 502 T HA -0.222 3.577 4.350 -0.917 0.000 0.268 502 T C 2.002 176.734 174.700 0.053 0.000 1.037 502 T CA 1.470 63.624 62.100 0.091 0.000 1.144 502 T CB -0.134 68.770 68.868 0.060 0.000 0.864 502 T HN 0.301 nan 8.240 nan 0.000 0.444 503 K N 0.707 121.142 120.400 0.058 0.000 2.032 503 K HA -0.191 3.579 4.320 -0.917 0.000 0.209 503 K C 1.808 178.422 176.600 0.023 0.000 1.048 503 K CA 1.821 58.130 56.287 0.037 0.000 0.927 503 K CB -0.186 32.341 32.500 0.045 0.000 0.712 503 K HN 0.201 nan 8.250 nan 0.000 0.441 504 D N 0.923 121.354 120.400 0.051 0.000 2.097 504 D HA -0.154 3.936 4.640 -0.917 0.000 0.195 504 D C 2.059 178.319 176.300 -0.067 0.000 0.989 504 D CA 1.031 55.055 54.000 0.040 0.000 0.827 504 D CB -0.263 40.637 40.800 0.166 0.000 0.966 504 D HN 0.209 nan 8.370 nan 0.000 0.456 505 L N 0.795 121.978 121.223 -0.067 0.000 2.042 505 L HA -0.181 3.609 4.340 -0.917 0.000 0.210 505 L C 2.071 178.833 176.870 -0.180 0.000 1.076 505 L CA 0.900 55.611 54.840 -0.215 0.000 0.749 505 L CB -0.433 41.547 42.059 -0.131 0.000 0.893 505 L HN 0.002 nan 8.230 nan 0.000 0.432 506 N N -0.160 118.484 118.700 -0.092 0.000 2.120 506 N HA -0.212 3.978 4.740 -0.917 0.000 0.188 506 N C 1.554 177.018 175.510 -0.077 0.000 1.024 506 N CA 1.442 54.447 53.050 -0.075 0.000 0.852 506 N CB -0.442 38.024 38.487 -0.035 0.000 1.003 506 N HN 0.280 nan 8.380 nan 0.000 0.424 507 D N 0.811 121.174 120.400 -0.061 0.000 2.149 507 D HA -0.038 4.052 4.640 -0.917 0.000 0.198 507 D C 1.950 178.216 176.300 -0.057 0.000 0.990 507 D CA 0.534 54.527 54.000 -0.011 0.000 0.839 507 D CB -0.152 40.645 40.800 -0.005 0.000 0.948 507 D HN 0.234 nan 8.370 nan 0.000 0.460 508 I N 0.207 120.641 120.570 -0.226 0.000 2.361 508 I HA -0.191 3.429 4.170 -0.917 0.000 0.251 508 I C 0.961 176.915 176.117 -0.272 0.000 1.133 508 I CA 1.082 62.136 61.300 -0.409 0.000 1.413 508 I CB -0.002 37.513 38.000 -0.809 0.000 1.073 508 I HN -0.075 nan 8.210 nan 0.000 0.424 509 D N 0.173 120.455 120.400 -0.196 0.000 2.388 509 D HA 0.087 4.177 4.640 -0.917 0.000 0.221 509 D C 0.741 176.987 176.300 -0.090 0.000 1.133 509 D CA 0.143 54.061 54.000 -0.137 0.000 0.831 509 D CB 0.176 40.898 40.800 -0.130 0.000 0.962 509 D HN 0.230 nan 8.370 nan 0.000 0.502 510 S N -0.610 115.056 115.700 -0.056 0.000 2.632 510 S HA 0.483 4.403 4.470 -0.917 0.000 0.267 510 S C 1.626 176.189 174.600 -0.062 0.000 1.276 510 S CA -0.195 57.978 58.200 -0.045 0.000 0.998 510 S CB 2.084 65.279 63.200 -0.008 0.000 0.953 510 S HN 0.020 nan 8.310 nan 0.000 0.547 511 A N 1.519 124.291 122.820 -0.081 0.000 1.978 511 A HA -0.108 3.662 4.320 -0.917 0.000 0.220 511 A C 2.148 179.648 177.584 -0.140 0.000 1.170 511 A CA 1.658 53.639 52.037 -0.094 0.000 0.636 511 A CB -0.899 18.049 19.000 -0.086 0.000 0.810 511 A HN 0.920 nan 8.150 nan 0.000 0.448 512 K N -0.148 120.114 120.400 -0.230 0.000 2.152 512 K HA -0.071 3.699 4.320 -0.917 0.000 0.206 512 K C 1.810 178.169 176.600 -0.402 0.000 1.048 512 K CA 1.391 57.373 56.287 -0.509 0.000 0.933 512 K CB -0.170 31.721 32.500 -1.016 0.000 0.721 512 K HN 0.380 nan 8.250 nan 0.000 0.447 513 S N 1.173 116.830 115.700 -0.071 0.000 2.603 513 S HA -0.037 3.883 4.470 -0.917 0.000 0.229 513 S C 1.024 175.681 174.600 0.094 0.000 0.972 513 S CA 0.504 58.807 58.200 0.171 0.000 0.935 513 S CB -0.135 63.163 63.200 0.163 0.000 0.769 513 S HN 0.293 nan 8.310 nan 0.000 0.536 514 E N 1.697 121.905 120.200 0.013 0.000 2.265 514 E HA -0.062 3.738 4.350 -0.917 0.000 0.196 514 E C 0.870 177.506 176.600 0.060 0.000 0.996 514 E CA 0.344 56.761 56.400 0.028 0.000 0.832 514 E CB 0.053 29.747 29.700 -0.010 0.000 0.756 514 E HN 0.346 nan 8.360 nan 0.000 0.491 515 N N 0.696 119.433 118.700 0.062 0.000 2.422 515 N HA 0.025 4.215 4.740 -0.917 0.000 0.264 515 N C -2.107 173.509 175.510 0.176 0.000 1.063 515 N CA -1.700 51.410 53.050 0.099 0.000 0.959 515 N CB 1.293 39.827 38.487 0.078 0.000 1.087 515 N HN -0.222 nan 8.380 nan 0.000 0.483 516 P HA -0.072 nan 4.420 nan 0.000 0.216 516 P C 1.057 178.476 177.300 0.198 0.000 1.150 516 P CA 1.382 64.597 63.100 0.190 0.000 0.837 516 P CB 0.291 32.067 31.700 0.126 0.000 0.786 517 T N -1.588 113.064 114.554 0.163 0.000 2.701 517 T HA -0.191 3.608 4.350 -0.917 0.000 0.263 517 T C 1.642 176.446 174.700 0.173 0.000 1.040 517 T CA 1.158 63.345 62.100 0.145 0.000 1.147 517 T CB -1.179 67.758 68.868 0.114 0.000 0.865 517 T HN 0.068 nan 8.240 nan 0.000 0.426 518 Y N 1.963 122.311 120.300 0.080 0.000 2.081 518 Y HA -0.211 3.789 4.550 -0.918 0.000 0.280 518 Y C 2.768 178.720 175.900 0.086 0.000 1.163 518 Y CA 1.692 59.832 58.100 0.067 0.000 1.135 518 Y CB -0.166 38.319 38.460 0.043 0.000 0.970 518 Y HN -0.034 nan 8.280 nan 0.000 0.498 519 R N 0.464 121.144 120.500 0.300 0.000 2.091 519 R HA -0.240 3.550 4.340 -0.917 0.000 0.238 519 R C 2.454 178.932 176.300 0.297 0.000 1.136 519 R CA 2.056 58.304 56.100 0.245 0.000 0.959 519 R CB -0.304 30.190 30.300 0.323 0.000 0.856 519 R HN 0.327 nan 8.270 nan 0.000 0.437 520 K N -0.282 120.320 120.400 0.336 0.000 2.044 520 K HA -0.174 3.595 4.320 -0.917 0.000 0.210 520 K C 1.881 178.605 176.600 0.208 0.000 1.049 520 K CA 1.749 58.238 56.287 0.337 0.000 0.927 520 K CB -0.192 32.438 32.500 0.218 0.000 0.713 520 K HN 0.259 nan 8.250 nan 0.000 0.443 521 A N 0.641 123.501 122.820 0.067 0.000 1.930 521 A HA -0.054 3.715 4.320 -0.917 0.000 0.217 521 A C 2.281 179.830 177.584 -0.058 0.000 1.175 521 A CA 1.721 53.748 52.037 -0.016 0.000 0.627 521 A CB -0.742 18.198 19.000 -0.101 0.000 0.815 521 A HN 0.487 nan 8.150 nan 0.000 0.443 522 A N -1.076 121.654 122.820 -0.150 0.000 1.902 522 A HA -0.008 3.761 4.320 -0.917 0.000 0.217 522 A C 1.939 179.480 177.584 -0.072 0.000 1.181 522 A CA 1.514 53.439 52.037 -0.186 0.000 0.623 522 A CB -0.731 18.096 19.000 -0.287 0.000 0.818 522 A HN 0.434 nan 8.150 nan 0.000 0.443 523 F N -0.014 119.935 119.950 -0.002 0.000 2.102 523 F HA -0.164 3.813 4.527 -0.917 0.000 0.298 523 F C 2.518 178.401 175.800 0.139 0.000 1.105 523 F CA 1.619 59.658 58.000 0.064 0.000 1.239 523 F CB -0.588 38.444 39.000 0.054 0.000 0.991 523 F HN 0.029 nan 8.300 nan 0.000 0.474 524 V N 0.184 120.265 119.914 0.277 0.000 2.255 524 V HA -0.351 3.219 4.120 -0.917 0.000 0.247 524 V C 2.440 178.595 176.094 0.103 0.000 1.051 524 V CA 2.273 64.673 62.300 0.167 0.000 1.018 524 V CB -0.711 31.181 31.823 0.115 0.000 0.641 524 V HN 0.280 nan 8.190 nan 0.000 0.445 525 K N -0.644 119.799 120.400 0.072 0.000 2.032 525 K HA -0.276 3.493 4.320 -0.917 0.000 0.209 525 K C 2.295 178.929 176.600 0.057 0.000 1.048 525 K CA 2.212 58.521 56.287 0.037 0.000 0.927 525 K CB -0.491 32.012 32.500 0.005 0.000 0.712 525 K HN 0.517 nan 8.250 nan 0.000 0.441 526 Y N 1.844 122.128 120.300 -0.027 0.000 2.069 526 Y HA -0.329 3.670 4.550 -0.917 0.000 0.278 526 Y C 2.117 178.008 175.900 -0.015 0.000 1.175 526 Y CA 2.330 60.414 58.100 -0.027 0.000 1.134 526 Y CB -0.472 37.958 38.460 -0.051 0.000 0.965 526 Y HN 0.247 nan 8.280 nan 0.000 0.498 527 Q N 0.004 119.717 119.800 -0.143 0.000 2.096 527 Q HA -0.224 3.566 4.340 -0.917 0.000 0.204 527 Q C 2.178 178.064 176.000 -0.190 0.000 0.982 527 Q CA 2.055 57.720 55.803 -0.230 0.000 0.850 527 Q CB -0.210 28.536 28.738 0.013 0.000 0.901 527 Q HN 0.660 nan 8.270 nan 0.000 0.422 528 E N 0.592 120.733 120.200 -0.099 0.000 2.031 528 E HA -0.197 3.602 4.350 -0.917 0.000 0.193 528 E C 1.689 178.215 176.600 -0.124 0.000 0.994 528 E CA 1.289 57.637 56.400 -0.086 0.000 0.800 528 E CB 0.009 29.684 29.700 -0.042 0.000 0.752 528 E HN 0.316 nan 8.360 nan 0.000 0.447 529 D N 0.294 120.616 120.400 -0.131 0.000 2.104 529 D HA -0.165 3.924 4.640 -0.917 0.000 0.194 529 D C 1.967 178.130 176.300 -0.228 0.000 0.994 529 D CA 1.074 54.992 54.000 -0.136 0.000 0.830 529 D CB -0.158 40.597 40.800 -0.075 0.000 0.959 529 D HN 0.130 nan 8.370 nan 0.000 0.452 530 M N 0.597 119.990 119.600 -0.345 0.000 2.108 530 M HA -0.141 3.788 4.480 -0.917 0.000 0.261 530 M C 1.669 177.778 176.300 -0.318 0.000 1.066 530 M CA 1.106 56.153 55.300 -0.421 0.000 1.107 530 M CB -0.956 31.267 32.600 -0.628 0.000 1.356 530 M HN 0.006 nan 8.290 nan 0.000 0.406 531 N N 0.513 119.083 118.700 -0.217 0.000 2.188 531 N HA -0.123 4.067 4.740 -0.917 0.000 0.184 531 N C 1.654 177.139 175.510 -0.041 0.000 1.018 531 N CA 0.997 54.005 53.050 -0.071 0.000 0.858 531 N CB -0.353 38.096 38.487 -0.063 0.000 0.989 531 N HN 0.410 nan 8.380 nan 0.000 0.426 532 K N 1.143 121.477 120.400 -0.110 0.000 2.002 532 K HA -0.078 3.692 4.320 -0.917 0.000 0.209 532 K C 1.459 177.963 176.600 -0.160 0.000 1.048 532 K CA 1.048 57.280 56.287 -0.092 0.000 0.930 532 K CB 0.140 32.585 32.500 -0.092 0.000 0.714 532 K HN -0.050 nan 8.250 nan 0.000 0.438 533 K N -0.130 120.084 120.400 -0.310 0.000 2.148 533 K HA -0.061 3.709 4.320 -0.917 0.000 0.204 533 K C 1.013 177.208 176.600 -0.675 0.000 1.050 533 K CA 1.007 56.942 56.287 -0.587 0.000 0.942 533 K CB -0.282 31.681 32.500 -0.895 0.000 0.724 533 K HN 0.403 nan 8.250 nan 0.000 0.446 534 A N 0.641 123.171 122.820 -0.484 0.000 2.869 534 A HA -0.215 3.555 4.320 -0.917 0.000 0.280 534 A C 0.613 178.085 177.584 -0.188 0.000 1.458 534 A CA 1.034 52.890 52.037 -0.302 0.000 0.776 534 A CB -2.522 16.369 19.000 -0.182 0.000 1.028 534 A HN 0.314 nan 8.150 nan 0.000 0.547 535 Y N -0.986 119.182 120.300 -0.220 0.000 2.242 535 Y HA 0.172 4.172 4.550 -0.918 0.000 0.291 535 Y C 1.617 177.444 175.900 -0.123 0.000 1.137 535 Y CA 1.637 59.623 58.100 -0.189 0.000 1.181 535 Y CB -0.442 37.597 38.460 -0.702 0.000 0.989 535 Y HN 0.986 nan 8.280 nan 0.000 0.527 536 V N -2.483 117.323 119.914 -0.180 0.000 3.102 536 V HA 0.619 4.189 4.120 -0.917 0.000 0.312 536 V C -0.733 175.127 176.094 -0.389 0.000 1.135 536 V CA -1.421 60.682 62.300 -0.328 0.000 1.022 536 V CB 2.988 34.589 31.823 -0.371 0.000 1.056 536 V HN -0.122 nan 8.190 nan 0.000 0.436 537 I N 1.847 122.159 120.570 -0.430 0.000 2.478 537 I HA 0.512 4.132 4.170 -0.917 0.000 0.287 537 I C -2.815 173.156 176.117 -0.245 0.000 1.042 537 I CA -2.059 59.011 61.300 -0.383 0.000 1.067 537 I CB 1.944 39.629 38.000 -0.526 0.000 1.233 537 I HN 0.509 nan 8.210 nan 0.000 0.431 538 P HA 0.232 nan 4.420 nan 0.000 0.271 538 P C 0.288 177.517 177.300 -0.118 0.000 1.216 538 P CA 0.181 63.212 63.100 -0.115 0.000 0.771 538 P CB 1.122 32.765 31.700 -0.096 0.000 0.864 539 T N 1.094 115.591 114.554 -0.096 0.000 3.348 539 T HA 0.124 3.924 4.350 -0.917 0.000 0.233 539 T C 0.249 174.900 174.700 -0.081 0.000 0.960 539 T CA 0.536 62.598 62.100 -0.063 0.000 1.343 539 T CB -0.261 68.611 68.868 0.007 0.000 1.068 539 T HN 0.392 nan 8.240 nan 0.000 0.410 540 N N -0.207 118.476 118.700 -0.029 0.000 2.229 540 N HA 0.575 4.765 4.740 -0.917 0.000 0.298 540 N C -1.714 173.861 175.510 0.107 0.000 1.114 540 N CA -0.621 52.440 53.050 0.018 0.000 0.776 540 N CB 1.846 40.440 38.487 0.178 0.000 1.501 540 N HN 0.027 nan 8.380 nan 0.000 0.474 541 F N 1.479 121.570 119.950 0.234 0.000 2.408 541 F HA 0.573 4.549 4.527 -0.917 0.000 0.325 541 F C 0.574 176.501 175.800 0.211 0.000 1.082 541 F CA -0.952 57.209 58.000 0.269 0.000 1.032 541 F CB 0.945 40.052 39.000 0.179 0.000 1.259 541 F HN 0.297 nan 8.300 nan 0.000 0.503 542 M N 1.501 121.316 119.600 0.358 0.000 2.658 542 M HA 0.734 4.664 4.480 -0.917 0.000 0.295 542 M C -2.229 174.084 176.300 0.022 0.000 1.248 542 M CA -0.706 54.625 55.300 0.051 0.000 0.843 542 M CB 2.694 35.099 32.600 -0.326 0.000 1.749 542 M HN 0.405 nan 8.290 nan 0.000 0.464 543 L N 2.511 123.701 121.223 -0.055 0.000 2.329 543 L HA 0.544 4.334 4.340 -0.917 0.000 0.279 543 L C -0.571 176.195 176.870 -0.174 0.000 1.014 543 L CA -0.982 53.785 54.840 -0.122 0.000 0.814 543 L CB 1.687 43.630 42.059 -0.193 0.000 1.257 543 L HN 0.743 nan 8.230 nan 0.000 0.424 544 N N 1.751 120.345 118.700 -0.178 0.000 2.508 544 N HA 0.404 4.593 4.740 -0.917 0.000 0.285 544 N C -1.023 174.326 175.510 -0.267 0.000 1.144 544 N CA -0.313 52.616 53.050 -0.202 0.000 0.978 544 N CB 1.745 40.137 38.487 -0.159 0.000 1.180 544 N HN 0.461 nan 8.380 nan 0.000 0.484 545 Y N -2.137 117.964 120.300 -0.332 0.000 2.570 545 Y HA 0.733 4.738 4.550 -0.910 0.000 0.345 545 Y C -0.870 174.935 175.900 -0.158 0.000 1.014 545 Y CA -0.871 57.032 58.100 -0.328 0.000 1.063 545 Y CB 1.533 39.775 38.460 -0.362 0.000 1.272 545 Y HN 0.240 nan 8.280 nan 0.000 0.477 546 T N 4.093 118.643 114.554 -0.006 0.000 3.170 546 T HA 0.338 4.138 4.350 -0.917 0.000 0.315 546 T C -3.173 171.586 174.700 0.099 0.000 0.967 546 T CA -1.306 60.766 62.100 -0.046 0.000 1.024 546 T CB 1.591 70.410 68.868 -0.083 0.000 1.018 546 T HN 0.455 nan 8.240 nan 0.000 0.449 547 P HA 0.409 nan 4.420 nan 0.000 0.276 547 P C -0.902 176.510 177.300 0.188 0.000 1.235 547 P CA -0.380 62.805 63.100 0.141 0.000 0.772 547 P CB 0.843 32.547 31.700 0.006 0.000 0.871 548 V N 3.724 123.777 119.914 0.232 0.000 2.531 548 V HA 0.279 3.848 4.120 -0.917 0.000 0.301 548 V C 0.547 176.656 176.094 0.026 0.000 1.034 548 V CA -0.947 61.440 62.300 0.145 0.000 0.865 548 V CB 1.666 33.507 31.823 0.029 0.000 0.995 548 V HN 0.587 nan 8.190 nan 0.000 0.424 549 N N 3.623 122.254 118.700 -0.116 0.000 2.458 549 N HA 0.065 4.255 4.740 -0.917 0.000 0.258 549 N C 1.003 176.344 175.510 -0.281 0.000 1.219 549 N CA 0.059 52.786 53.050 -0.539 0.000 0.902 549 N CB 0.953 39.211 38.487 -0.381 0.000 1.076 549 N HN 0.628 nan 8.380 nan 0.000 0.455 550 K N 2.241 122.443 120.400 -0.329 0.000 2.442 550 K HA -0.169 3.600 4.320 -0.917 0.000 0.199 550 K C 1.619 178.299 176.600 0.133 0.000 1.044 550 K CA 1.023 57.240 56.287 -0.117 0.000 0.941 550 K CB 0.055 32.490 32.500 -0.108 0.000 0.759 550 K HN 0.630 nan 8.250 nan 0.000 0.472 551 R N 0.119 120.634 120.500 0.026 0.000 2.275 551 R HA 0.048 3.838 4.340 -0.917 0.000 0.199 551 R C 0.217 176.563 176.300 0.077 0.000 0.989 551 R CA 0.076 56.203 56.100 0.045 0.000 1.016 551 R CB -0.081 30.216 30.300 -0.005 0.000 0.918 551 R HN -0.176 nan 8.270 nan 0.000 0.473 552 V N 2.170 122.163 119.914 0.133 0.000 2.637 552 V HA 0.136 3.705 4.120 -0.917 0.000 0.296 552 V C 0.105 176.244 176.094 0.076 0.000 1.046 552 V CA -0.358 62.011 62.300 0.114 0.000 1.066 552 V CB 1.529 33.426 31.823 0.123 0.000 0.968 552 V HN 0.015 nan 8.190 nan 0.000 0.483 553 V N 3.485 123.396 119.914 -0.006 0.000 2.540 553 V HA 0.765 4.335 4.120 -0.917 0.000 0.302 553 V C 0.910 176.961 176.094 -0.071 0.000 1.035 553 V CA 0.355 62.605 62.300 -0.082 0.000 0.873 553 V CB 0.906 32.687 31.823 -0.069 0.000 0.992 553 V HN 1.171 nan 8.190 nan 0.000 0.428 554 G N 4.092 112.827 108.800 -0.109 0.000 2.143 554 G HA2 -0.250 3.160 3.960 -0.917 0.000 0.249 554 G HA3 -0.250 3.160 3.960 -0.917 0.000 0.249 554 G C -0.060 174.783 174.900 -0.095 0.000 0.981 554 G CA 0.348 45.392 45.100 -0.094 0.000 0.665 554 G HN 0.702 nan 8.290 nan 0.000 0.528 555 M N 1.470 121.032 119.600 -0.063 0.000 2.233 555 M HA 0.687 4.617 4.480 -0.917 0.000 0.350 555 M C 0.321 176.585 176.300 -0.061 0.000 1.176 555 M CA 0.324 55.582 55.300 -0.071 0.000 1.150 555 M CB 1.117 33.718 32.600 0.002 0.000 1.530 555 M HN 0.543 nan 8.290 nan 0.000 0.459 556 T N 4.468 118.952 114.554 -0.116 0.000 2.957 556 T HA 0.438 4.237 4.350 -0.917 0.000 0.336 556 T C -0.014 174.588 174.700 -0.164 0.000 1.462 556 T CA -0.768 61.265 62.100 -0.112 0.000 1.073 556 T CB 0.576 69.377 68.868 -0.112 0.000 1.319 556 T HN 0.675 nan 8.240 nan 0.000 0.485 557 L N 1.792 122.911 121.223 -0.173 0.000 2.592 557 L HA 0.274 4.063 4.340 -0.917 0.000 0.227 557 L C 0.750 177.399 176.870 -0.368 0.000 1.127 557 L CA -0.101 54.584 54.840 -0.258 0.000 0.884 557 L CB -0.138 41.767 42.059 -0.256 0.000 1.065 557 L HN 0.661 nan 8.230 nan 0.000 0.457 558 D N -0.196 120.047 120.400 -0.261 0.000 2.520 558 D HA -0.163 3.926 4.640 -0.917 0.000 0.243 558 D C 0.811 176.978 176.300 -0.221 0.000 1.160 558 D CA 0.472 54.328 54.000 -0.240 0.000 0.877 558 D CB 0.588 41.299 40.800 -0.149 0.000 1.150 558 D HN 0.045 nan 8.370 nan 0.000 0.494 559 Y N 1.935 122.144 120.300 -0.151 0.000 2.497 559 Y HA 0.092 4.087 4.550 -0.924 0.000 0.292 559 Y C 2.428 178.212 175.900 -0.193 0.000 1.137 559 Y CA 0.964 58.965 58.100 -0.164 0.000 1.285 559 Y CB 0.064 38.351 38.460 -0.288 0.000 0.991 559 Y HN 0.565 nan 8.280 nan 0.000 0.556 560 G N -0.553 108.206 108.800 -0.069 0.000 2.985 560 G HA2 0.259 3.668 3.960 -0.917 0.000 0.209 560 G HA3 0.259 3.668 3.960 -0.917 0.000 0.209 560 G C 0.368 175.216 174.900 -0.086 0.000 1.165 560 G CA 0.224 45.275 45.100 -0.081 0.000 0.776 560 G HN 0.314 nan 8.290 nan 0.000 0.541 561 A N 0.876 123.635 122.820 -0.101 0.000 2.376 561 A HA 0.602 4.371 4.320 -0.917 0.000 0.298 561 A C 1.194 178.673 177.584 -0.175 0.000 1.271 561 A CA -0.301 51.660 52.037 -0.126 0.000 0.926 561 A CB 0.253 19.171 19.000 -0.138 0.000 1.141 561 A HN 0.153 nan 8.150 nan 0.000 0.539 562 M N 1.248 120.701 119.600 -0.244 0.000 2.509 562 M HA 0.089 4.019 4.480 -0.917 0.000 0.250 562 M C 0.318 176.433 176.300 -0.307 0.000 1.132 562 M CA 0.643 55.641 55.300 -0.504 0.000 1.080 562 M CB -0.376 31.511 32.600 -1.188 0.000 1.408 562 M HN 0.683 nan 8.290 nan 0.000 0.484 563 N N -0.116 118.508 118.700 -0.127 0.000 2.351 563 N HA 0.136 4.326 4.740 -0.917 0.000 0.254 563 N C 0.810 176.291 175.510 -0.048 0.000 1.241 563 N CA 0.128 53.176 53.050 -0.004 0.000 0.883 563 N CB 0.558 39.087 38.487 0.070 0.000 1.202 563 N HN 0.123 nan 8.380 nan 0.000 0.512 564 T N -0.478 113.971 114.554 -0.174 0.000 2.720 564 T HA -0.143 3.657 4.350 -0.917 0.000 0.268 564 T C 1.453 176.008 174.700 -0.241 0.000 1.037 564 T CA 1.279 63.206 62.100 -0.288 0.000 1.144 564 T CB -0.173 68.410 68.868 -0.474 0.000 0.864 564 T HN 0.454 nan 8.240 nan 0.000 0.444 565 W N 1.280 122.576 121.300 -0.006 0.000 2.392 565 W HA -0.019 4.123 4.660 -0.862 0.000 0.279 565 W C 2.838 179.434 176.519 0.128 0.000 1.225 565 W CA 0.194 57.558 57.345 0.031 0.000 1.233 565 W CB -0.318 29.149 29.460 0.011 0.000 1.122 565 W HN 0.151 nan 8.180 nan 0.000 0.561 566 S N -0.100 115.729 115.700 0.214 0.000 2.406 566 S HA -0.100 3.820 4.470 -0.917 0.000 0.224 566 S C 1.427 176.077 174.600 0.083 0.000 1.030 566 S CA 0.992 59.262 58.200 0.116 0.000 0.958 566 S CB -0.095 63.140 63.200 0.059 0.000 0.811 566 S HN 0.300 nan 8.310 nan 0.000 0.489 567 E N 0.592 120.819 120.200 0.045 0.000 2.158 567 E HA 0.124 3.924 4.350 -0.917 0.000 0.191 567 E C 0.618 177.223 176.600 0.008 0.000 0.982 567 E CA 0.068 56.474 56.400 0.011 0.000 0.823 567 E CB 0.131 29.817 29.700 -0.024 0.000 0.766 567 E HN 0.411 nan 8.360 nan 0.000 0.468 568 I N 0.991 121.568 120.570 0.011 0.000 2.752 568 I HA 0.092 3.711 4.170 -0.917 0.000 0.287 568 I C 0.378 176.525 176.117 0.051 0.000 1.188 568 I CA 0.251 61.553 61.300 0.003 0.000 1.427 568 I CB 0.464 38.441 38.000 -0.039 0.000 1.365 568 I HN 0.013 nan 8.210 nan 0.000 0.585 569 G N 5.855 114.671 108.800 0.028 0.000 2.827 569 G HA2 0.632 4.042 3.960 -0.917 0.000 0.296 569 G HA3 0.632 4.042 3.960 -0.917 0.000 0.296 569 G C -1.285 173.632 174.900 0.028 0.000 1.362 569 G CA -0.184 44.939 45.100 0.037 0.000 0.809 569 G HN 0.719 nan 8.290 nan 0.000 0.522 570 V N -2.384 117.545 119.914 0.026 0.000 2.962 570 V HA 0.755 4.325 4.120 -0.917 0.000 0.313 570 V C 0.766 176.866 176.094 0.010 0.000 1.099 570 V CA 0.269 62.582 62.300 0.021 0.000 0.971 570 V CB 1.583 33.422 31.823 0.027 0.000 1.028 570 V HN 1.278 nan 8.190 nan 0.000 0.430 571 S N 0.944 116.647 115.700 0.005 0.000 2.558 571 S HA 0.353 4.272 4.470 -0.917 0.000 0.217 571 S C 0.723 175.323 174.600 0.001 0.000 0.975 571 S CA 0.413 58.612 58.200 -0.002 0.000 0.912 571 S CB -0.618 62.578 63.200 -0.007 0.000 0.776 571 S HN 1.994 nan 8.310 nan 0.000 0.526 572 S N 0.000 115.703 115.700 0.005 0.000 2.498 572 S HA 0.000 3.920 4.470 -0.917 0.000 0.327 572 S CA 0.000 58.202 58.200 0.004 0.000 1.107 572 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517