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 3drj_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 TWSEIGVSSA 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 0.000 176.868 176.870 -0.003 0.000 1.165 14 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 14 L CB 0.000 42.034 42.059 -0.042 0.000 0.961 15 K N 1.806 122.210 120.400 0.006 0.000 2.328 15 K HA 0.902 4.654 4.320 -0.947 0.000 0.246 15 K C -0.903 175.720 176.600 0.038 0.000 0.955 15 K CA -0.759 55.547 56.287 0.031 0.000 0.817 15 K CB 2.656 35.174 32.500 0.029 0.000 1.208 15 K HN 0.651 nan 8.250 nan 0.000 0.432 16 A N 1.310 124.180 122.820 0.083 0.000 2.409 16 A HA 0.618 4.370 4.320 -0.947 0.000 0.300 16 A C 0.518 178.211 177.584 0.182 0.000 1.273 16 A CA 0.176 52.269 52.037 0.094 0.000 0.774 16 A CB 0.290 19.319 19.000 0.048 0.000 1.144 16 A HN 0.817 nan 8.150 nan 0.000 0.472 17 G N 2.639 111.519 108.800 0.132 0.000 2.550 17 G HA2 -0.340 3.052 3.960 -0.947 0.000 0.277 17 G HA3 -0.340 3.052 3.960 -0.947 0.000 0.277 17 G C 0.652 175.590 174.900 0.064 0.000 1.190 17 G CA 0.696 45.872 45.100 0.127 0.000 0.971 17 G HN 0.770 nan 8.290 nan 0.000 0.559 18 N N 0.459 119.140 118.700 -0.032 0.000 2.461 18 N HA 0.261 4.433 4.740 -0.947 0.000 0.188 18 N C 0.432 175.810 175.510 -0.221 0.000 1.134 18 N CA 0.373 53.317 53.050 -0.175 0.000 0.878 18 N CB -0.094 38.209 38.487 -0.306 0.000 0.972 18 N HN 0.331 nan 8.380 nan 0.000 0.456 19 F N 0.793 120.744 119.950 0.001 0.000 2.375 19 F HA 0.227 4.188 4.527 -0.942 0.000 0.333 19 F C 0.818 176.621 175.800 0.005 0.000 1.104 19 F CA -0.869 57.138 58.000 0.011 0.000 1.149 19 F CB 0.625 39.633 39.000 0.014 0.000 1.190 19 F HN -0.155 nan 8.300 nan 0.000 0.533 20 D N 1.454 121.976 120.400 0.203 0.000 2.302 20 D HA 0.137 4.209 4.640 -0.947 0.000 0.248 20 D C 0.968 177.334 176.300 0.110 0.000 1.094 20 D CA -0.036 54.038 54.000 0.123 0.000 0.897 20 D CB 1.891 42.754 40.800 0.104 0.000 1.200 20 D HN 0.229 nan 8.370 nan 0.000 0.429 21 V N 0.931 120.871 119.914 0.042 0.000 2.591 21 V HA 0.031 3.582 4.120 -0.947 0.000 0.249 21 V C 0.861 176.941 176.094 -0.024 0.000 1.053 21 V CA 1.254 63.541 62.300 -0.021 0.000 1.068 21 V CB -0.197 31.586 31.823 -0.066 0.000 0.689 21 V HN 0.643 nan 8.190 nan 0.000 0.462 22 A N -1.348 121.477 122.820 0.008 0.000 2.374 22 A HA 0.657 4.409 4.320 -0.947 0.000 0.317 22 A C -1.367 176.280 177.584 0.105 0.000 1.094 22 A CA -0.460 51.588 52.037 0.018 0.000 0.765 22 A CB 1.021 20.005 19.000 -0.025 0.000 1.268 22 A HN 0.211 nan 8.150 nan 0.000 0.438 23 Y N 1.724 122.006 120.300 -0.029 0.000 2.454 23 Y HA 0.363 4.343 4.550 -0.950 0.000 0.345 23 Y C 0.030 175.915 175.900 -0.026 0.000 0.970 23 Y CA -0.654 57.437 58.100 -0.016 0.000 1.204 23 Y CB 0.570 39.023 38.460 -0.010 0.000 1.122 23 Y HN 0.656 nan 8.280 nan 0.000 0.514 24 Q N 5.582 125.299 119.800 -0.138 0.000 2.452 24 Q HA 0.076 3.848 4.340 -0.947 0.000 0.230 24 Q C -0.255 175.473 176.000 -0.454 0.000 1.180 24 Q CA -0.240 55.413 55.803 -0.250 0.000 0.914 24 Q CB 0.164 28.847 28.738 -0.092 0.000 1.408 24 Q HN 0.560 nan 8.270 nan 0.000 0.520 25 N N 3.782 122.053 118.700 -0.714 0.000 2.475 25 N HA 0.047 4.219 4.740 -0.947 0.000 0.267 25 N C -1.491 173.868 175.510 -0.252 0.000 1.169 25 N CA -1.317 51.362 53.050 -0.618 0.000 0.947 25 N CB 1.135 39.288 38.487 -0.557 0.000 1.061 25 N HN 0.351 nan 8.380 nan 0.000 0.466 26 P HA 0.037 nan 4.420 nan 0.000 0.225 26 P C -0.567 176.693 177.300 -0.065 0.000 1.156 26 P CA 0.718 63.773 63.100 -0.075 0.000 0.787 26 P CB 0.395 32.076 31.700 -0.031 0.000 0.802 27 D N 0.819 121.178 120.400 -0.069 0.000 2.225 27 D HA 0.172 4.244 4.640 -0.947 0.000 0.249 27 D C 0.605 176.870 176.300 -0.058 0.000 1.052 27 D CA -0.232 53.738 54.000 -0.048 0.000 0.909 27 D CB 1.019 41.801 40.800 -0.030 0.000 1.186 27 D HN -0.108 nan 8.370 nan 0.000 0.431 28 K N 0.452 120.828 120.400 -0.041 0.000 2.258 28 K HA 0.468 4.219 4.320 -0.947 0.000 0.264 28 K C -0.111 176.470 176.600 -0.031 0.000 1.007 28 K CA -0.502 55.763 56.287 -0.037 0.000 0.941 28 K CB 0.818 33.302 32.500 -0.026 0.000 0.966 28 K HN 0.453 nan 8.250 nan 0.000 0.480 29 A N 3.056 125.859 122.820 -0.029 0.000 2.388 29 A HA 0.306 4.058 4.320 -0.947 0.000 0.257 29 A C 0.706 178.286 177.584 -0.006 0.000 1.095 29 A CA -0.615 51.412 52.037 -0.016 0.000 0.791 29 A CB -0.276 18.717 19.000 -0.012 0.000 1.029 29 A HN 0.782 nan 8.150 nan 0.000 0.489 30 I N -0.795 119.775 120.570 0.001 0.000 3.138 30 I HA 0.326 3.928 4.170 -0.947 0.000 0.288 30 I C 0.007 176.130 176.117 0.011 0.000 1.148 30 I CA -0.590 60.713 61.300 0.005 0.000 1.315 30 I CB 0.525 38.529 38.000 0.008 0.000 1.426 30 I HN 0.514 nan 8.210 nan 0.000 0.615 31 K N 2.969 123.376 120.400 0.011 0.000 2.276 31 K HA 0.554 4.306 4.320 -0.947 0.000 0.285 31 K C 0.221 176.834 176.600 0.022 0.000 1.062 31 K CA 0.288 56.584 56.287 0.015 0.000 0.918 31 K CB 0.986 33.491 32.500 0.009 0.000 1.055 31 K HN 1.029 nan 8.250 nan 0.000 0.477 32 G N 1.659 110.479 108.800 0.034 0.000 2.512 32 G HA2 0.206 3.598 3.960 -0.947 0.000 0.210 32 G HA3 0.206 3.598 3.960 -0.947 0.000 0.210 32 G C -0.066 174.867 174.900 0.055 0.000 1.295 32 G CA -0.507 44.621 45.100 0.045 0.000 0.934 32 G HN 1.126 nan 8.290 nan 0.000 0.554 33 G N -1.204 107.629 108.800 0.055 0.000 2.619 33 G HA2 0.409 3.801 3.960 -0.947 0.000 0.686 33 G HA3 0.409 3.801 3.960 -0.947 0.000 0.686 33 G C -0.761 174.181 174.900 0.070 0.000 1.256 33 G CA 0.501 45.633 45.100 0.054 0.000 0.826 33 G HN 2.285 nan 8.290 nan 0.000 0.619 34 N N -0.767 117.968 118.700 0.058 0.000 2.372 34 N HA 0.658 4.830 4.740 -0.947 0.000 0.285 34 N C -0.637 174.903 175.510 0.050 0.000 1.008 34 N CA -0.748 52.338 53.050 0.061 0.000 0.880 34 N CB 1.581 40.101 38.487 0.055 0.000 1.239 34 N HN 0.810 nan 8.380 nan 0.000 0.484 35 L N 2.749 123.998 121.223 0.043 0.000 2.309 35 L HA 0.553 4.325 4.340 -0.947 0.000 0.282 35 L C -0.787 176.108 176.870 0.041 0.000 1.036 35 L CA -0.240 54.623 54.840 0.038 0.000 0.806 35 L CB 0.837 42.915 42.059 0.031 0.000 1.220 35 L HN 0.526 nan 8.230 nan 0.000 0.429 36 K N 4.559 125.003 120.400 0.072 0.000 2.394 36 K HA 0.637 4.388 4.320 -0.947 0.000 0.260 36 K C -1.372 175.307 176.600 0.133 0.000 0.967 36 K CA -0.613 55.755 56.287 0.136 0.000 0.855 36 K CB 1.879 34.495 32.500 0.193 0.000 1.101 36 K HN 0.368 nan 8.250 nan 0.000 0.433 37 V N 1.482 121.378 119.914 -0.029 0.000 2.715 37 V HA 0.811 4.362 4.120 -0.947 0.000 0.310 37 V C -0.414 175.474 176.094 -0.343 0.000 1.054 37 V CA -0.966 61.167 62.300 -0.278 0.000 0.928 37 V CB 1.721 33.092 31.823 -0.755 0.000 1.007 37 V HN 0.881 nan 8.190 nan 0.000 0.437 38 A N 2.587 125.175 122.820 -0.388 0.000 2.469 38 A HA 0.845 4.597 4.320 -0.947 0.000 0.299 38 A C -1.914 175.709 177.584 0.065 0.000 1.098 38 A CA -0.586 51.229 52.037 -0.369 0.000 0.737 38 A CB 1.639 19.912 19.000 -1.212 0.000 1.312 38 A HN 0.857 nan 8.150 nan 0.000 0.414 39 Y N 0.716 121.046 120.300 0.050 0.000 2.350 39 Y HA 0.489 4.510 4.550 -0.882 0.000 0.338 39 Y C 0.257 176.130 175.900 -0.045 0.000 0.961 39 Y CA -0.254 57.870 58.100 0.041 0.000 1.100 39 Y CB 1.685 40.158 38.460 0.022 0.000 1.179 39 Y HN 0.777 nan 8.280 nan 0.000 0.454 40 Q N 4.322 123.850 119.800 -0.454 0.000 2.293 40 Q HA 0.444 4.216 4.340 -0.947 0.000 0.263 40 Q C -1.168 174.736 176.000 -0.159 0.000 1.002 40 Q CA 0.131 55.775 55.803 -0.266 0.000 0.910 40 Q CB 0.585 29.149 28.738 -0.290 0.000 1.185 40 Q HN 0.649 nan 8.270 nan 0.000 0.401 41 S N 3.193 118.895 115.700 0.004 0.000 2.548 41 S HA 0.178 4.080 4.470 -0.947 0.000 0.278 41 S C -1.058 173.566 174.600 0.039 0.000 1.150 41 S CA -0.767 57.473 58.200 0.068 0.000 0.907 41 S CB 1.134 64.443 63.200 0.182 0.000 1.108 41 S HN 0.763 nan 8.310 nan 0.000 0.459 42 D N 2.187 122.600 120.400 0.023 0.000 2.325 42 D HA 0.159 4.231 4.640 -0.947 0.000 0.225 42 D C 0.187 176.500 176.300 0.022 0.000 1.096 42 D CA 0.345 54.355 54.000 0.017 0.000 0.844 42 D CB 0.655 41.458 40.800 0.005 0.000 0.925 42 D HN 0.392 nan 8.370 nan 0.000 0.513 43 S N 0.937 116.656 115.700 0.031 0.000 2.538 43 S HA 0.569 4.471 4.470 -0.947 0.000 0.288 43 S C -2.886 171.731 174.600 0.028 0.000 1.108 43 S CA -1.395 56.821 58.200 0.025 0.000 0.971 43 S CB 2.405 65.618 63.200 0.022 0.000 1.041 43 S HN -0.306 nan 8.310 nan 0.000 0.483 44 P HA 0.188 nan 4.420 nan 0.000 0.269 44 P C 0.000 177.303 177.300 0.004 0.000 1.215 44 P CA -0.406 62.703 63.100 0.015 0.000 0.780 44 P CB 0.209 31.913 31.700 0.006 0.000 0.898 45 M N 0.594 120.196 119.600 0.003 0.000 2.240 45 M HA 0.332 4.244 4.480 -0.947 0.000 0.333 45 M C -0.123 176.145 176.300 -0.053 0.000 1.110 45 M CA 0.148 55.444 55.300 -0.007 0.000 1.173 45 M CB 0.571 33.186 32.600 0.025 0.000 1.458 45 M HN -0.028 nan 8.290 nan 0.000 0.458 46 K N 3.189 123.530 120.400 -0.098 0.000 2.449 46 K HA 0.597 4.349 4.320 -0.947 0.000 0.257 46 K C -1.292 175.001 176.600 -0.512 0.000 0.989 46 K CA -0.217 55.949 56.287 -0.203 0.000 0.916 46 K CB 1.292 33.708 32.500 -0.139 0.000 1.136 46 K HN 0.801 nan 8.250 nan 0.000 0.439 47 A N 3.933 126.341 122.820 -0.686 0.000 2.444 47 A HA 0.326 4.077 4.320 -0.947 0.000 0.273 47 A C -0.616 176.335 177.584 -1.055 0.000 1.136 47 A CA 0.087 51.256 52.037 -1.447 0.000 0.799 47 A CB 0.148 18.726 19.000 -0.705 0.000 1.081 47 A HN 0.616 nan 8.150 nan 0.000 0.509 48 Q N 2.733 121.731 119.800 -1.338 0.000 2.374 48 Q HA 0.376 4.148 4.340 -0.947 0.000 0.250 48 Q C -0.942 174.888 176.000 -0.283 0.000 0.918 48 Q CA -0.367 55.144 55.803 -0.485 0.000 0.778 48 Q CB 0.404 28.997 28.738 -0.241 0.000 1.328 48 Q HN 0.708 nan 8.270 nan 0.000 0.445 49 W N 3.164 124.495 121.300 0.051 0.000 2.905 49 W HA 0.256 4.420 4.660 -0.827 0.000 0.251 49 W C 0.127 176.766 176.519 0.200 0.000 1.305 49 W CA -0.086 57.400 57.345 0.234 0.000 1.465 49 W CB 0.532 30.124 29.460 0.220 0.000 1.122 49 W HN 0.366 nan 8.180 nan 0.000 0.659 50 L N 1.103 122.493 121.223 0.277 0.000 2.281 50 L HA 0.125 3.897 4.340 -0.947 0.000 0.285 50 L C 1.840 178.781 176.870 0.119 0.000 1.074 50 L CA -0.232 54.717 54.840 0.182 0.000 0.817 50 L CB 1.301 43.417 42.059 0.096 0.000 1.168 50 L HN -0.174 nan 8.230 nan 0.000 0.434 51 S N 3.194 118.964 115.700 0.116 0.000 2.370 51 S HA -0.148 3.754 4.470 -0.947 0.000 0.226 51 S C 1.844 176.462 174.600 0.030 0.000 1.033 51 S CA 1.865 60.111 58.200 0.078 0.000 1.011 51 S CB -0.113 63.132 63.200 0.076 0.000 0.852 51 S HN 0.942 nan 8.310 nan 0.000 0.457 52 G N 0.742 109.540 108.800 -0.004 0.000 2.443 52 G HA2 -0.007 3.385 3.960 -0.947 0.000 0.219 52 G HA3 -0.007 3.385 3.960 -0.947 0.000 0.219 52 G C 1.217 176.117 174.900 -0.000 0.000 1.131 52 G CA 0.636 45.719 45.100 -0.028 0.000 0.775 52 G HN 0.557 nan 8.290 nan 0.000 0.547 53 L N 0.482 121.709 121.223 0.007 0.000 2.607 53 L HA 0.256 4.028 4.340 -0.947 0.000 0.228 53 L C 1.093 177.972 176.870 0.015 0.000 1.123 53 L CA -0.162 54.691 54.840 0.022 0.000 0.890 53 L CB 0.425 42.502 42.059 0.030 0.000 1.103 53 L HN 0.156 nan 8.230 nan 0.000 0.468 54 S N 0.242 115.951 115.700 0.015 0.000 2.462 54 S HA 0.301 4.203 4.470 -0.947 0.000 0.294 54 S C 0.438 175.046 174.600 0.013 0.000 1.144 54 S CA -0.492 57.711 58.200 0.005 0.000 1.088 54 S CB 0.768 63.992 63.200 0.039 0.000 1.009 54 S HN 0.332 nan 8.310 nan 0.000 0.484 55 N N 2.596 121.298 118.700 0.003 0.000 2.159 55 N HA 0.141 4.313 4.740 -0.947 0.000 0.217 55 N C -1.220 174.294 175.510 0.006 0.000 1.223 55 N CA -0.255 52.801 53.050 0.010 0.000 0.896 55 N CB 0.525 39.020 38.487 0.014 0.000 1.064 55 N HN 0.541 nan 8.380 nan 0.000 0.518 56 D N 0.678 121.078 120.400 0.001 0.000 2.347 56 D HA 0.344 4.416 4.640 -0.947 0.000 0.235 56 D C 0.822 177.109 176.300 -0.021 0.000 1.149 56 D CA -0.399 53.598 54.000 -0.006 0.000 0.850 56 D CB 1.175 41.969 40.800 -0.010 0.000 1.061 56 D HN 0.166 nan 8.370 nan 0.000 0.487 57 A N 3.059 125.855 122.820 -0.042 0.000 1.972 57 A HA -0.132 3.620 4.320 -0.947 0.000 0.219 57 A C 2.028 179.477 177.584 -0.226 0.000 1.169 57 A CA 1.579 53.564 52.037 -0.086 0.000 0.635 57 A CB -0.510 18.468 19.000 -0.037 0.000 0.810 57 A HN 0.631 nan 8.150 nan 0.000 0.446 58 T N -0.823 113.585 114.554 -0.242 0.000 2.674 58 T HA -0.122 3.660 4.350 -0.947 0.000 0.265 58 T C 1.633 176.040 174.700 -0.490 0.000 1.039 58 T CA 1.567 63.368 62.100 -0.499 0.000 1.150 58 T CB -0.421 68.299 68.868 -0.247 0.000 0.864 58 T HN 0.488 nan 8.240 nan 0.000 0.427 59 F N 2.348 122.074 119.950 -0.373 0.000 2.126 59 F HA -0.030 4.316 4.527 -0.301 0.000 0.299 59 F C 2.448 178.014 175.800 -0.390 0.000 1.096 59 F CA 0.896 58.660 58.000 -0.393 0.000 1.255 59 F CB -0.773 38.014 39.000 -0.355 0.000 0.997 59 F HN 0.145 nan 8.300 nan 0.000 0.479 60 A N -0.346 122.255 122.820 -0.365 0.000 1.892 60 A HA -0.260 3.492 4.320 -0.947 0.000 0.218 60 A C 2.223 179.554 177.584 -0.422 0.000 1.188 60 A CA 2.623 54.448 52.037 -0.353 0.000 0.631 60 A CB -1.523 17.391 19.000 -0.143 0.000 0.822 60 A HN 0.463 nan 8.150 nan 0.000 0.447 61 T N 0.061 114.354 114.554 -0.435 0.000 2.737 61 T HA -0.119 3.663 4.350 -0.947 0.000 0.265 61 T C 1.870 176.271 174.700 -0.499 0.000 1.038 61 T CA 1.764 63.651 62.100 -0.356 0.000 1.144 61 T CB -0.320 68.311 68.868 -0.395 0.000 0.866 61 T HN 0.470 nan 8.240 nan 0.000 0.434 62 M N 1.799 120.885 119.600 -0.857 0.000 2.460 62 M HA -0.037 3.874 4.480 -0.947 0.000 0.263 62 M C 2.388 178.247 176.300 -0.735 0.000 1.071 62 M CA 0.959 55.569 55.300 -1.150 0.000 1.096 62 M CB -0.490 31.491 32.600 -1.032 0.000 1.408 62 M HN 0.305 nan 8.290 nan 0.000 0.463 63 S N 0.004 115.181 115.700 -0.871 0.000 2.555 63 S HA 0.004 3.905 4.470 -0.947 0.000 0.230 63 S C 1.876 176.364 174.600 -0.187 0.000 0.978 63 S CA 0.636 58.498 58.200 -0.562 0.000 0.934 63 S CB -0.877 61.844 63.200 -0.799 0.000 0.766 63 S HN 0.532 nan 8.310 nan 0.000 0.533 64 G N 3.052 111.719 108.800 -0.221 0.000 2.491 64 G HA2 -0.163 3.228 3.960 -0.947 0.000 0.218 64 G HA3 -0.163 3.228 3.960 -0.947 0.000 0.218 64 G C -0.672 173.900 174.900 -0.547 0.000 1.180 64 G CA 1.008 46.048 45.100 -0.100 0.000 0.774 64 G HN 0.548 nan 8.290 nan 0.000 0.562 65 P HA 0.020 nan 4.420 nan 0.000 0.220 65 P C 1.763 178.620 177.300 -0.738 0.000 1.148 65 P CA 1.563 63.668 63.100 -1.658 0.000 0.803 65 P CB -0.275 30.023 31.700 -2.337 0.000 0.782 66 G N -1.882 106.687 108.800 -0.385 0.000 2.985 66 G HA2 0.302 3.694 3.960 -0.947 0.000 0.209 66 G HA3 0.302 3.694 3.960 -0.947 0.000 0.209 66 G C 1.005 176.002 174.900 0.163 0.000 1.165 66 G CA 0.406 45.586 45.100 0.133 0.000 0.776 66 G HN 0.384 nan 8.290 nan 0.000 0.541 67 G N -1.501 107.352 108.800 0.088 0.000 2.192 67 G HA2 0.271 3.663 3.960 -0.947 0.000 0.193 67 G HA3 0.271 3.663 3.960 -0.947 0.000 0.193 67 G C 0.928 175.948 174.900 0.200 0.000 0.999 67 G CA 0.575 45.781 45.100 0.178 0.000 0.659 67 G HN 1.776 nan 8.290 nan 0.000 0.503 68 G N 0.067 108.958 108.800 0.153 0.000 2.298 68 G HA2 0.031 3.422 3.960 -0.947 0.000 0.287 68 G HA3 0.031 3.422 3.960 -0.947 0.000 0.287 68 G C 0.498 175.482 174.900 0.140 0.000 1.075 68 G CA 1.023 46.192 45.100 0.114 0.000 0.960 68 G HN 1.889 nan 8.290 nan 0.000 0.502 69 Q N -1.029 118.894 119.800 0.205 0.000 2.468 69 Q HA -0.178 3.593 4.340 -0.947 0.000 0.289 69 Q C 0.457 176.616 176.000 0.265 0.000 1.299 69 Q CA 0.823 56.790 55.803 0.274 0.000 0.838 69 Q CB -1.071 27.781 28.738 0.191 0.000 1.195 69 Q HN 0.869 nan 8.270 nan 0.000 0.456 70 D N -2.773 117.790 120.400 0.271 0.000 2.746 70 D HA -0.142 3.930 4.640 -0.947 0.000 0.236 70 D C 0.524 176.920 176.300 0.159 0.000 1.129 70 D CA 1.474 55.608 54.000 0.224 0.000 0.691 70 D CB -1.459 39.511 40.800 0.284 0.000 1.077 70 D HN 0.641 nan 8.370 nan 0.000 0.432 71 G N -0.352 108.547 108.800 0.165 0.000 2.432 71 G HA2 0.327 3.718 3.960 -0.947 0.000 0.239 71 G HA3 0.327 3.718 3.960 -0.947 0.000 0.239 71 G C 1.307 176.234 174.900 0.045 0.000 1.291 71 G CA -0.434 44.743 45.100 0.128 0.000 0.863 71 G HN 0.293 nan 8.290 nan 0.000 0.560 72 L N 0.609 121.715 121.223 -0.194 0.000 2.425 72 L HA 0.299 4.070 4.340 -0.947 0.000 0.215 72 L C -0.037 176.581 176.870 -0.420 0.000 1.065 72 L CA 0.197 54.741 54.840 -0.493 0.000 0.842 72 L CB 0.033 41.434 42.059 -1.096 0.000 1.033 72 L HN 0.322 nan 8.230 nan 0.000 0.474 73 F N -0.836 119.255 119.950 0.234 0.000 2.469 73 F HA 0.444 4.405 4.527 -0.943 0.000 0.332 73 F C 0.149 176.262 175.800 0.521 0.000 1.103 73 F CA -1.254 56.907 58.000 0.268 0.000 0.979 73 F CB 0.877 40.032 39.000 0.258 0.000 1.137 73 F HN -0.297 nan 8.300 nan 0.000 0.463 74 F N 1.039 121.248 119.950 0.431 0.000 2.380 74 F HA 0.551 4.506 4.527 -0.952 0.000 0.325 74 F C 0.796 176.815 175.800 0.366 0.000 1.136 74 F CA -0.998 57.206 58.000 0.340 0.000 1.171 74 F CB 1.324 40.478 39.000 0.257 0.000 1.230 74 F HN 0.496 nan 8.300 nan 0.000 0.554 75 T N -1.673 113.118 114.554 0.395 0.000 2.865 75 T HA 0.533 4.315 4.350 -0.947 0.000 0.294 75 T C -0.778 173.967 174.700 0.075 0.000 1.119 75 T CA -0.989 61.251 62.100 0.233 0.000 1.007 75 T CB 2.104 71.068 68.868 0.161 0.000 1.225 75 T HN 0.420 nan 8.240 nan 0.000 0.515 76 D N 0.136 120.544 120.400 0.014 0.000 2.414 76 D HA 0.224 4.296 4.640 -0.947 0.000 0.259 76 D C 1.605 177.782 176.300 -0.205 0.000 1.269 76 D CA -0.012 53.948 54.000 -0.066 0.000 1.028 76 D CB 0.084 40.857 40.800 -0.044 0.000 1.093 76 D HN 0.617 nan 8.370 nan 0.000 0.545 77 S N -2.301 113.270 115.700 -0.214 0.000 2.555 77 S HA 0.071 3.973 4.470 -0.947 0.000 0.230 77 S C 1.658 175.972 174.600 -0.476 0.000 0.978 77 S CA 0.289 58.305 58.200 -0.307 0.000 0.934 77 S CB -0.733 62.360 63.200 -0.179 0.000 0.766 77 S HN 0.695 nan 8.310 nan 0.000 0.533 78 G N -0.582 107.995 108.800 -0.371 0.000 3.337 78 G HA2 0.449 3.840 3.960 -0.947 0.000 0.246 78 G HA3 0.449 3.840 3.960 -0.947 0.000 0.246 78 G C 0.145 174.988 174.900 -0.095 0.000 1.131 78 G CA -0.623 44.298 45.100 -0.299 0.000 0.773 78 G HN 0.412 nan 8.290 nan 0.000 0.544 79 F N -1.114 118.775 119.950 -0.101 0.000 2.840 79 F HA -0.166 3.789 4.527 -0.954 0.000 0.310 79 F C 1.029 176.750 175.800 -0.132 0.000 0.688 79 F CA 0.714 58.662 58.000 -0.088 0.000 1.286 79 F CB -1.589 37.368 39.000 -0.071 0.000 1.612 79 F HN 0.210 nan 8.300 nan 0.000 0.335 80 K N 1.072 121.477 120.400 0.009 0.000 2.249 80 K HA 0.412 4.163 4.320 -0.947 0.000 0.280 80 K C 0.187 176.806 176.600 0.031 0.000 1.033 80 K CA -0.518 55.756 56.287 -0.022 0.000 0.946 80 K CB 0.426 32.934 32.500 0.013 0.000 1.005 80 K HN -0.093 nan 8.250 nan 0.000 0.469 81 F N 4.896 124.936 119.950 0.151 0.000 2.563 81 F HA 0.113 4.069 4.527 -0.952 0.000 0.363 81 F C 0.828 176.700 175.800 0.120 0.000 1.123 81 F CA -0.136 57.951 58.000 0.146 0.000 1.307 81 F CB 0.125 39.171 39.000 0.076 0.000 1.115 81 F HN 0.356 nan 8.300 nan 0.000 0.592 82 I N -0.930 119.862 120.570 0.369 0.000 3.108 82 I HA 0.584 4.186 4.170 -0.947 0.000 0.312 82 I C -0.877 175.377 176.117 0.227 0.000 1.095 82 I CA -1.403 60.046 61.300 0.248 0.000 1.000 82 I CB 2.179 40.309 38.000 0.217 0.000 1.229 82 I HN 0.326 nan 8.210 nan 0.000 0.454 83 K N 0.956 121.442 120.400 0.143 0.000 2.126 83 K HA 0.563 4.315 4.320 -0.947 0.000 0.257 83 K C 0.571 177.216 176.600 0.076 0.000 1.007 83 K CA 0.345 56.675 56.287 0.072 0.000 0.928 83 K CB 1.023 33.541 32.500 0.029 0.000 1.013 83 K HN 1.071 nan 8.250 nan 0.000 0.473 84 G N 0.328 109.083 108.800 -0.076 0.000 2.229 84 G HA2 -0.164 3.228 3.960 -0.947 0.000 0.189 84 G HA3 -0.164 3.228 3.960 -0.947 0.000 0.189 84 G C 0.464 174.995 174.900 -0.615 0.000 1.000 84 G CA -0.277 44.727 45.100 -0.160 0.000 0.663 84 G HN 0.837 nan 8.290 nan 0.000 0.493 85 G N -0.091 108.154 108.800 -0.925 0.000 2.504 85 G HA2 0.622 4.014 3.960 -0.947 0.000 0.257 85 G HA3 0.622 4.014 3.960 -0.947 0.000 0.257 85 G C 1.558 175.849 174.900 -1.015 0.000 1.451 85 G CA 1.053 45.250 45.100 -1.505 0.000 1.059 85 G HN 1.209 nan 8.290 nan 0.000 0.550 86 A N -1.197 121.240 122.820 -0.638 0.000 1.978 86 A HA 0.419 4.171 4.320 -0.947 0.000 0.220 86 A C 1.392 178.634 177.584 -0.569 0.000 1.170 86 A CA 2.311 53.951 52.037 -0.662 0.000 0.636 86 A CB -0.559 18.336 19.000 -0.176 0.000 0.810 86 A HN 1.774 nan 8.150 nan 0.000 0.448 87 A N -1.208 121.369 122.820 -0.405 0.000 2.594 87 A HA 0.624 4.376 4.320 -0.947 0.000 0.291 87 A C -1.873 175.704 177.584 -0.012 0.000 1.105 87 A CA -0.713 51.182 52.037 -0.236 0.000 0.694 87 A CB 0.960 19.821 19.000 -0.232 0.000 1.291 87 A HN 0.088 nan 8.150 nan 0.000 0.410 88 D N -0.003 120.403 120.400 0.010 0.000 2.252 88 D HA 0.525 4.597 4.640 -0.947 0.000 0.245 88 D C -1.126 175.145 176.300 -0.048 0.000 1.009 88 D CA -0.119 53.888 54.000 0.013 0.000 0.870 88 D CB 2.158 42.919 40.800 -0.066 0.000 1.251 88 D HN 0.373 nan 8.370 nan 0.000 0.460 89 V N 0.479 120.213 119.914 -0.300 0.000 2.540 89 V HA 0.793 4.345 4.120 -0.947 0.000 0.302 89 V C -1.269 174.642 176.094 -0.305 0.000 1.035 89 V CA -0.452 61.562 62.300 -0.476 0.000 0.873 89 V CB 1.433 32.600 31.823 -1.092 0.000 0.992 89 V HN 0.695 nan 8.190 nan 0.000 0.428 90 A N 7.047 129.732 122.820 -0.226 0.000 2.371 90 A HA 0.862 4.613 4.320 -0.947 0.000 0.311 90 A C -1.188 176.323 177.584 -0.121 0.000 1.068 90 A CA -0.682 51.275 52.037 -0.133 0.000 0.744 90 A CB 1.333 20.279 19.000 -0.090 0.000 1.239 90 A HN 0.863 nan 8.150 nan 0.000 0.435 91 L N 1.527 122.710 121.223 -0.066 0.000 2.322 91 L HA 0.528 4.299 4.340 -0.947 0.000 0.279 91 L C -0.709 176.152 176.870 -0.015 0.000 1.036 91 L CA -0.678 54.143 54.840 -0.031 0.000 0.807 91 L CB 1.665 43.727 42.059 0.004 0.000 1.226 91 L HN 0.697 nan 8.230 nan 0.000 0.433 92 D N 1.722 122.120 120.400 -0.002 0.000 2.473 92 D HA 0.131 4.202 4.640 -0.947 0.000 0.253 92 D C 0.505 176.811 176.300 0.011 0.000 1.233 92 D CA -0.484 53.514 54.000 -0.002 0.000 0.908 92 D CB 1.650 42.441 40.800 -0.014 0.000 1.170 92 D HN 0.465 nan 8.370 nan 0.000 0.558 93 K N 2.554 122.957 120.400 0.004 0.000 2.063 93 K HA -0.139 3.613 4.320 -0.947 0.000 0.208 93 K C 1.046 177.647 176.600 0.002 0.000 1.048 93 K CA 1.448 57.735 56.287 0.001 0.000 0.928 93 K CB 0.287 32.781 32.500 -0.011 0.000 0.713 93 K HN 0.429 nan 8.250 nan 0.000 0.442 94 E N -0.350 119.849 120.200 -0.002 0.000 2.216 94 E HA -0.038 3.743 4.350 -0.947 0.000 0.192 94 E C 1.810 178.409 176.600 -0.003 0.000 0.988 94 E CA 0.712 57.110 56.400 -0.005 0.000 0.834 94 E CB 0.272 29.966 29.700 -0.008 0.000 0.772 94 E HN 0.211 nan 8.360 nan 0.000 0.479 95 S N 0.462 116.160 115.700 -0.002 0.000 2.489 95 S HA -0.020 3.882 4.470 -0.947 0.000 0.228 95 S C 0.334 174.938 174.600 0.007 0.000 0.995 95 S CA 0.235 58.431 58.200 -0.008 0.000 0.934 95 S CB 0.029 63.219 63.200 -0.018 0.000 0.771 95 S HN 0.195 nan 8.310 nan 0.000 0.522 96 K N 1.947 122.369 120.400 0.036 0.000 3.156 96 K HA -0.156 3.596 4.320 -0.947 0.000 0.266 96 K C -0.310 176.383 176.600 0.156 0.000 0.966 96 K CA 0.857 57.206 56.287 0.103 0.000 0.719 96 K CB -2.236 30.321 32.500 0.096 0.000 1.333 96 K HN 0.610 nan 8.250 nan 0.000 0.468 97 T N -2.795 111.821 114.554 0.103 0.000 2.908 97 T HA 0.747 4.529 4.350 -0.947 0.000 0.290 97 T C -0.274 174.487 174.700 0.102 0.000 1.034 97 T CA -0.600 61.519 62.100 0.033 0.000 1.010 97 T CB 2.355 71.180 68.868 -0.072 0.000 1.068 97 T HN 0.285 nan 8.240 nan 0.000 0.481 98 A N 1.681 124.526 122.820 0.042 0.000 2.304 98 A HA 0.698 4.450 4.320 -0.947 0.000 0.323 98 A C 0.117 177.588 177.584 -0.189 0.000 1.195 98 A CA -0.754 51.206 52.037 -0.129 0.000 0.826 98 A CB 0.648 19.418 19.000 -0.384 0.000 1.184 98 A HN 0.854 nan 8.150 nan 0.000 0.496 99 T N 2.904 117.350 114.554 -0.181 0.000 2.770 99 T HA 0.513 4.295 4.350 -0.947 0.000 0.283 99 T C -0.528 174.072 174.700 -0.167 0.000 0.988 99 T CA 0.065 62.078 62.100 -0.145 0.000 0.957 99 T CB 0.415 69.222 68.868 -0.103 0.000 0.930 99 T HN 0.381 nan 8.240 nan 0.000 0.443 100 I N 3.238 123.720 120.570 -0.147 0.000 2.339 100 I HA 0.303 3.904 4.170 -0.947 0.000 0.290 100 I C 0.439 176.488 176.117 -0.114 0.000 0.994 100 I CA -0.142 61.068 61.300 -0.151 0.000 1.191 100 I CB 1.579 39.397 38.000 -0.304 0.000 1.343 100 I HN 0.525 nan 8.210 nan 0.000 0.458 101 T N 7.278 121.775 114.554 -0.094 0.000 2.821 101 T HA 0.528 4.310 4.350 -0.947 0.000 0.307 101 T C 0.103 174.728 174.700 -0.126 0.000 1.034 101 T CA -0.550 61.493 62.100 -0.095 0.000 0.953 101 T CB 0.268 69.083 68.868 -0.088 0.000 0.968 101 T HN 0.233 nan 8.240 nan 0.000 0.462 102 L N 3.068 124.209 121.223 -0.137 0.000 2.439 102 L HA 0.367 4.139 4.340 -0.947 0.000 0.269 102 L C 1.254 177.999 176.870 -0.209 0.000 1.179 102 L CA -0.653 54.076 54.840 -0.185 0.000 0.828 102 L CB 0.412 42.383 42.059 -0.147 0.000 1.106 102 L HN 0.402 nan 8.230 nan 0.000 0.467 103 R N 1.553 121.869 120.500 -0.307 0.000 2.679 103 R HA -0.042 3.730 4.340 -0.947 0.000 0.268 103 R C 1.270 177.445 176.300 -0.208 0.000 1.044 103 R CA -0.057 55.856 56.100 -0.313 0.000 1.105 103 R CB 0.499 30.489 30.300 -0.515 0.000 0.989 103 R HN 0.529 nan 8.270 nan 0.000 0.447 104 K N 1.442 121.750 120.400 -0.153 0.000 2.113 104 K HA -0.209 3.543 4.320 -0.947 0.000 0.208 104 K C 0.135 176.689 176.600 -0.077 0.000 1.047 104 K CA 1.929 58.158 56.287 -0.096 0.000 0.928 104 K CB 0.178 32.636 32.500 -0.071 0.000 0.716 104 K HN 0.483 nan 8.250 nan 0.000 0.446 105 D N 0.510 120.858 120.400 -0.086 0.000 2.340 105 D HA 0.020 4.092 4.640 -0.947 0.000 0.217 105 D C -0.416 175.883 176.300 -0.002 0.000 1.081 105 D CA -0.043 53.945 54.000 -0.020 0.000 0.842 105 D CB 0.148 40.962 40.800 0.024 0.000 0.934 105 D HN 0.098 nan 8.370 nan 0.000 0.511 106 L N 1.372 122.538 121.223 -0.095 0.000 2.369 106 L HA 0.199 3.971 4.340 -0.947 0.000 0.279 106 L C -0.049 176.759 176.870 -0.105 0.000 1.108 106 L CA 0.342 55.121 54.840 -0.102 0.000 0.852 106 L CB -0.009 41.910 42.059 -0.234 0.000 1.169 106 L HN -0.267 nan 8.230 nan 0.000 0.452 107 K N 3.574 123.940 120.400 -0.057 0.000 2.395 107 K HA 0.413 4.165 4.320 -0.947 0.000 0.247 107 K C -1.159 175.343 176.600 -0.163 0.000 0.973 107 K CA -0.671 55.566 56.287 -0.083 0.000 0.828 107 K CB 1.401 33.915 32.500 0.023 0.000 1.272 107 K HN 0.424 nan 8.250 nan 0.000 0.439 108 W N 0.286 121.580 121.300 -0.010 0.000 2.086 108 W HA 0.022 4.106 4.660 -0.960 0.000 0.355 108 W C 1.589 178.071 176.519 -0.062 0.000 1.313 108 W CA -0.121 57.206 57.345 -0.029 0.000 1.358 108 W CB 0.521 29.926 29.460 -0.093 0.000 1.166 108 W HN 0.676 nan 8.180 nan 0.000 0.630 109 S N -0.548 115.304 115.700 0.254 0.000 2.555 109 S HA -0.181 3.721 4.470 -0.947 0.000 0.230 109 S C 0.877 175.551 174.600 0.124 0.000 0.978 109 S CA 1.106 59.430 58.200 0.207 0.000 0.934 109 S CB -0.470 62.817 63.200 0.145 0.000 0.766 109 S HN 0.605 nan 8.310 nan 0.000 0.533 110 D N 0.143 120.499 120.400 -0.073 0.000 2.339 110 D HA 0.249 4.321 4.640 -0.947 0.000 0.217 110 D C 1.410 177.365 176.300 -0.574 0.000 1.050 110 D CA 0.569 54.460 54.000 -0.183 0.000 0.856 110 D CB -0.507 40.199 40.800 -0.157 0.000 0.922 110 D HN 0.509 nan 8.370 nan 0.000 0.518 111 G N 0.418 108.599 108.800 -1.031 0.000 2.175 111 G HA2 -0.280 3.111 3.960 -0.947 0.000 0.244 111 G HA3 -0.280 3.111 3.960 -0.947 0.000 0.244 111 G C 0.392 175.058 174.900 -0.390 0.000 0.982 111 G CA 0.286 44.618 45.100 -1.281 0.000 0.641 111 G HN 0.772 nan 8.290 nan 0.000 0.527 112 S N 0.066 115.670 115.700 -0.160 0.000 2.572 112 S HA 0.523 4.425 4.470 -0.947 0.000 0.279 112 S C 0.145 174.830 174.600 0.142 0.000 1.341 112 S CA 0.116 58.334 58.200 0.030 0.000 1.043 112 S CB 2.155 65.402 63.200 0.079 0.000 0.887 112 S HN 0.516 nan 8.310 nan 0.000 0.516 113 E N 0.990 121.261 120.200 0.120 0.000 2.373 113 E HA 0.305 4.086 4.350 -0.947 0.000 0.267 113 E C -0.950 175.752 176.600 0.170 0.000 1.032 113 E CA -0.341 56.111 56.400 0.087 0.000 0.889 113 E CB 0.779 30.508 29.700 0.048 0.000 0.984 113 E HN 0.511 nan 8.360 nan 0.000 0.425 114 V N 5.076 124.973 119.914 -0.027 0.000 2.432 114 V HA 0.295 3.846 4.120 -0.947 0.000 0.271 114 V C 0.497 176.613 176.094 0.037 0.000 1.046 114 V CA 0.044 62.312 62.300 -0.052 0.000 0.945 114 V CB 0.556 32.137 31.823 -0.404 0.000 0.992 114 V HN 0.883 nan 8.190 nan 0.000 0.471 115 T N 1.995 116.631 114.554 0.137 0.000 2.910 115 T HA 0.684 4.466 4.350 -0.947 0.000 0.287 115 T C 1.235 175.983 174.700 0.081 0.000 1.050 115 T CA -0.052 62.087 62.100 0.065 0.000 1.011 115 T CB 1.952 70.839 68.868 0.032 0.000 1.195 115 T HN 0.572 nan 8.240 nan 0.000 0.540 116 A N 0.724 123.548 122.820 0.007 0.000 1.948 116 A HA -0.097 3.654 4.320 -0.947 0.000 0.220 116 A C 2.198 179.804 177.584 0.036 0.000 1.177 116 A CA 2.391 54.461 52.037 0.055 0.000 0.636 116 A CB -1.118 17.870 19.000 -0.020 0.000 0.815 116 A HN 0.867 nan 8.150 nan 0.000 0.449 117 K N 0.458 120.740 120.400 -0.197 0.000 2.103 117 K HA -0.169 3.583 4.320 -0.947 0.000 0.207 117 K C 1.228 177.909 176.600 0.135 0.000 1.048 117 K CA 1.970 58.166 56.287 -0.151 0.000 0.930 117 K CB -0.430 31.914 32.500 -0.259 0.000 0.716 117 K HN 0.462 nan 8.250 nan 0.000 0.444 118 D N -0.976 119.581 120.400 0.261 0.000 2.178 118 D HA -0.163 3.909 4.640 -0.947 0.000 0.201 118 D C 1.633 178.220 176.300 0.480 0.000 0.980 118 D CA 0.927 55.200 54.000 0.456 0.000 0.842 118 D CB -0.208 40.953 40.800 0.601 0.000 0.948 118 D HN 0.289 nan 8.370 nan 0.000 0.472 119 Y N 1.735 122.215 120.300 0.300 0.000 2.184 119 Y HA -0.102 3.877 4.550 -0.951 0.000 0.290 119 Y C 2.206 178.353 175.900 0.412 0.000 1.129 119 Y CA 1.293 59.581 58.100 0.314 0.000 1.144 119 Y CB -0.052 38.567 38.460 0.265 0.000 0.995 119 Y HN -0.178 nan 8.280 nan 0.000 0.513 120 E N -0.166 120.222 120.200 0.313 0.000 2.118 120 E HA -0.263 3.519 4.350 -0.947 0.000 0.195 120 E C 2.136 178.888 176.600 0.253 0.000 0.992 120 E CA 1.375 57.913 56.400 0.231 0.000 0.804 120 E CB -0.637 29.277 29.700 0.357 0.000 0.741 120 E HN 0.498 nan 8.360 nan 0.000 0.458 121 F N 1.857 121.861 119.950 0.090 0.000 2.216 121 F HA -0.152 3.807 4.527 -0.947 0.000 0.300 121 F C 2.262 178.089 175.800 0.047 0.000 1.085 121 F CA 1.779 59.816 58.000 0.061 0.000 1.326 121 F CB -0.720 38.348 39.000 0.112 0.000 1.027 121 F HN -0.045 nan 8.300 nan 0.000 0.497 122 T N -0.213 114.322 114.554 -0.032 0.000 2.665 122 T HA -0.286 3.496 4.350 -0.947 0.000 0.268 122 T C 1.730 176.280 174.700 -0.249 0.000 1.035 122 T CA 2.176 64.149 62.100 -0.211 0.000 1.151 122 T CB -0.781 67.980 68.868 -0.178 0.000 0.862 122 T HN 0.366 nan 8.240 nan 0.000 0.438 123 Y N 1.628 121.828 120.300 -0.167 0.000 2.181 123 Y HA -0.121 3.864 4.550 -0.942 0.000 0.288 123 Y C 2.613 178.503 175.900 -0.016 0.000 1.146 123 Y CA 1.136 59.185 58.100 -0.085 0.000 1.164 123 Y CB -0.339 38.058 38.460 -0.104 0.000 0.982 123 Y HN 0.346 nan 8.280 nan 0.000 0.515 124 E N -0.506 119.749 120.200 0.091 0.000 2.085 124 E HA -0.218 3.564 4.350 -0.947 0.000 0.194 124 E C 2.229 178.799 176.600 -0.051 0.000 0.994 124 E CA 1.916 58.422 56.400 0.176 0.000 0.801 124 E CB -0.441 29.426 29.700 0.278 0.000 0.743 124 E HN 0.594 nan 8.360 nan 0.000 0.453 125 T N -0.650 113.582 114.554 -0.536 0.000 2.881 125 T HA -0.094 3.687 4.350 -0.947 0.000 0.270 125 T C 1.890 176.483 174.700 -0.178 0.000 1.068 125 T CA 0.834 62.482 62.100 -0.754 0.000 1.131 125 T CB -0.174 68.227 68.868 -0.779 0.000 0.871 125 T HN 0.085 nan 8.240 nan 0.000 0.479 126 I N 0.549 121.106 120.570 -0.021 0.000 2.731 126 I HA 0.265 3.867 4.170 -0.947 0.000 0.260 126 I C 2.946 179.248 176.117 0.308 0.000 1.138 126 I CA 0.715 62.090 61.300 0.125 0.000 1.461 126 I CB -0.183 37.855 38.000 0.062 0.000 1.128 126 I HN 0.322 nan 8.210 nan 0.000 0.438 127 A N 0.031 123.087 122.820 0.394 0.000 2.044 127 A HA 0.019 3.771 4.320 -0.947 0.000 0.213 127 A C 1.147 178.989 177.584 0.431 0.000 1.169 127 A CA 0.333 52.671 52.037 0.501 0.000 0.724 127 A CB -0.246 19.154 19.000 0.667 0.000 0.840 127 A HN 0.341 nan 8.150 nan 0.000 0.463 128 N N 0.754 119.715 118.700 0.436 0.000 2.401 128 N HA 0.222 4.393 4.740 -0.947 0.000 0.255 128 N C -2.305 173.324 175.510 0.198 0.000 1.110 128 N CA -2.090 51.092 53.050 0.220 0.000 0.949 128 N CB 1.264 39.990 38.487 0.398 0.000 1.110 128 N HN -0.070 nan 8.380 nan 0.000 0.490 129 P HA -0.016 nan 4.420 nan 0.000 0.228 129 P C 0.692 177.992 177.300 0.000 0.000 1.151 129 P CA 0.630 63.740 63.100 0.017 0.000 0.770 129 P CB 0.168 31.804 31.700 -0.105 0.000 0.786 130 A N -1.432 121.343 122.820 -0.075 0.000 2.070 130 A HA -0.190 3.562 4.320 -0.947 0.000 0.220 130 A C 1.524 178.993 177.584 -0.191 0.000 1.159 130 A CA 1.213 53.146 52.037 -0.173 0.000 0.656 130 A CB -1.595 17.238 19.000 -0.278 0.000 0.800 130 A HN 0.199 nan 8.150 nan 0.000 0.453 131 Y N -0.987 119.338 120.300 0.042 0.000 2.544 131 Y HA 0.290 4.273 4.550 -0.945 0.000 0.286 131 Y C 1.955 177.876 175.900 0.035 0.000 1.141 131 Y CA 0.418 58.545 58.100 0.044 0.000 1.299 131 Y CB -0.136 38.351 38.460 0.045 0.000 1.030 131 Y HN 0.433 nan 8.280 nan 0.000 0.543 132 G N 0.293 109.185 108.800 0.155 0.000 2.143 132 G HA2 -0.316 3.076 3.960 -0.947 0.000 0.248 132 G HA3 -0.316 3.076 3.960 -0.947 0.000 0.248 132 G C 0.366 175.333 174.900 0.112 0.000 0.991 132 G CA 0.345 45.508 45.100 0.104 0.000 0.689 132 G HN 0.373 nan 8.290 nan 0.000 0.522 133 S N -0.385 115.402 115.700 0.145 0.000 2.568 133 S HA 0.360 4.262 4.470 -0.947 0.000 0.282 133 S C 0.992 175.666 174.600 0.123 0.000 1.338 133 S CA 0.447 58.720 58.200 0.122 0.000 1.045 133 S CB 0.481 63.761 63.200 0.132 0.000 0.873 133 S HN 0.232 nan 8.310 nan 0.000 0.516 134 D N 3.092 123.551 120.400 0.099 0.000 2.363 134 D HA 0.149 4.221 4.640 -0.947 0.000 0.214 134 D C 0.937 177.300 176.300 0.106 0.000 1.093 134 D CA 0.163 54.223 54.000 0.100 0.000 0.837 134 D CB 0.220 41.062 40.800 0.071 0.000 0.948 134 D HN 0.516 nan 8.370 nan 0.000 0.507 135 R N -0.195 120.369 120.500 0.108 0.000 2.393 135 R HA 0.074 3.846 4.340 -0.947 0.000 0.244 135 R C 0.610 176.955 176.300 0.075 0.000 0.920 135 R CA -0.472 55.666 56.100 0.064 0.000 1.076 135 R CB 0.651 30.963 30.300 0.020 0.000 1.119 135 R HN 0.170 nan 8.270 nan 0.000 0.524 136 W N 3.226 124.509 121.300 -0.028 0.000 2.223 136 W HA -0.002 4.089 4.660 -0.948 0.000 0.334 136 W C -0.412 176.063 176.519 -0.072 0.000 1.334 136 W CA 1.028 58.322 57.345 -0.085 0.000 1.246 136 W CB 0.656 30.026 29.460 -0.151 0.000 1.184 136 W HN -0.029 nan 8.180 nan 0.000 0.563 137 T N 1.966 115.973 114.554 -0.911 0.000 2.906 137 T HA 0.166 3.948 4.350 -0.947 0.000 0.295 137 T C 0.553 174.709 174.700 -0.907 0.000 1.075 137 T CA -0.720 60.986 62.100 -0.657 0.000 1.005 137 T CB 1.891 70.503 68.868 -0.426 0.000 1.136 137 T HN 0.379 nan 8.240 nan 0.000 0.498 138 D N 1.095 121.270 120.400 -0.374 0.000 2.182 138 D HA -0.071 4.001 4.640 -0.947 0.000 0.201 138 D C 2.153 178.331 176.300 -0.202 0.000 0.986 138 D CA 1.237 55.133 54.000 -0.172 0.000 0.847 138 D CB -0.373 40.404 40.800 -0.038 0.000 0.942 138 D HN 0.558 nan 8.370 nan 0.000 0.467 139 S N 0.335 115.873 115.700 -0.270 0.000 2.387 139 S HA -0.129 3.773 4.470 -0.947 0.000 0.230 139 S C 2.070 176.598 174.600 -0.120 0.000 1.035 139 S CA 0.589 58.669 58.200 -0.200 0.000 1.014 139 S CB -0.195 62.692 63.200 -0.521 0.000 0.836 139 S HN 0.317 nan 8.310 nan 0.000 0.466 140 L N 0.768 121.750 121.223 -0.402 0.000 2.291 140 L HA -0.005 3.767 4.340 -0.947 0.000 0.214 140 L C 2.535 179.329 176.870 -0.127 0.000 1.120 140 L CA 0.704 55.330 54.840 -0.357 0.000 0.799 140 L CB -0.558 40.992 42.059 -0.849 0.000 0.925 140 L HN 0.307 nan 8.230 nan 0.000 0.446 141 A N 0.229 123.003 122.820 -0.077 0.000 2.125 141 A HA -0.221 3.531 4.320 -0.947 0.000 0.219 141 A C 1.913 179.611 177.584 0.190 0.000 1.156 141 A CA 1.677 53.842 52.037 0.214 0.000 0.671 141 A CB -0.696 18.461 19.000 0.262 0.000 0.794 141 A HN 0.491 nan 8.150 nan 0.000 0.459 142 N N -0.394 118.417 118.700 0.185 0.000 2.515 142 N HA 0.049 4.220 4.740 -0.947 0.000 0.185 142 N C 0.085 175.775 175.510 0.300 0.000 1.109 142 N CA 0.150 53.338 53.050 0.230 0.000 0.903 142 N CB -0.340 38.290 38.487 0.239 0.000 0.969 142 N HN 0.487 nan 8.380 nan 0.000 0.450 143 I N 1.157 121.883 120.570 0.260 0.000 2.371 143 I HA 0.073 3.675 4.170 -0.947 0.000 0.290 143 I C 0.088 176.245 176.117 0.066 0.000 1.028 143 I CA -0.851 60.526 61.300 0.129 0.000 1.345 143 I CB 1.392 39.439 38.000 0.078 0.000 1.407 143 I HN -0.198 nan 8.210 nan 0.000 0.501 144 V N 6.940 126.846 119.914 -0.014 0.000 2.625 144 V HA -0.033 3.519 4.120 -0.947 0.000 0.305 144 V C 1.405 177.500 176.094 0.002 0.000 1.055 144 V CA 1.680 63.977 62.300 -0.006 0.000 1.209 144 V CB 0.040 31.833 31.823 -0.051 0.000 0.877 144 V HN 1.196 nan 8.190 nan 0.000 0.489 145 G N 3.879 112.710 108.800 0.052 0.000 2.212 145 G HA2 -0.309 3.083 3.960 -0.947 0.000 0.266 145 G HA3 -0.309 3.083 3.960 -0.947 0.000 0.266 145 G C 0.616 175.602 174.900 0.143 0.000 0.978 145 G CA 0.573 45.717 45.100 0.073 0.000 0.632 145 G HN 0.763 nan 8.290 nan 0.000 0.537 146 L N 1.303 122.632 121.223 0.178 0.000 2.109 146 L HA 0.290 4.061 4.340 -0.947 0.000 0.207 146 L C 2.686 179.812 176.870 0.425 0.000 1.086 146 L CA 2.869 57.892 54.840 0.305 0.000 0.760 146 L CB -0.625 41.624 42.059 0.318 0.000 0.910 146 L HN 0.212 nan 8.230 nan 0.000 0.437 147 S N -0.166 115.770 115.700 0.393 0.000 2.383 147 S HA -0.181 3.721 4.470 -0.947 0.000 0.229 147 S C 1.527 176.246 174.600 0.198 0.000 1.030 147 S CA 1.467 59.875 58.200 0.346 0.000 1.002 147 S CB -0.392 62.992 63.200 0.307 0.000 0.829 147 S HN 0.526 nan 8.310 nan 0.000 0.467 148 D N -0.198 120.307 120.400 0.175 0.000 2.183 148 D HA -0.043 4.029 4.640 -0.947 0.000 0.203 148 D C 1.549 177.919 176.300 0.118 0.000 0.969 148 D CA 0.701 54.767 54.000 0.111 0.000 0.842 148 D CB -0.287 40.572 40.800 0.098 0.000 0.957 148 D HN 0.489 nan 8.370 nan 0.000 0.484 149 Y N 0.628 120.972 120.300 0.072 0.000 2.200 149 Y HA -0.241 3.740 4.550 -0.948 0.000 0.290 149 Y C 2.415 178.347 175.900 0.052 0.000 1.137 149 Y CA 1.833 59.975 58.100 0.071 0.000 1.163 149 Y CB -0.402 38.121 38.460 0.104 0.000 0.988 149 Y HN 0.043 nan 8.280 nan 0.000 0.518 150 H N -0.235 118.796 119.070 -0.065 0.000 2.387 150 H HA -0.142 3.846 4.556 -0.947 0.000 0.299 150 H C 2.012 177.134 175.328 -0.344 0.000 1.099 150 H CA 2.343 58.191 56.048 -0.334 0.000 1.315 150 H CB -0.476 28.843 29.762 -0.739 0.000 1.380 150 H HN 0.432 nan 8.280 nan 0.000 0.513 151 T N -3.963 110.404 114.554 -0.312 0.000 3.107 151 T HA 0.266 4.048 4.350 -0.947 0.000 0.249 151 T C 1.674 176.236 174.700 -0.230 0.000 1.096 151 T CA 0.507 62.414 62.100 -0.321 0.000 1.012 151 T CB -0.069 68.689 68.868 -0.185 0.000 0.977 151 T HN 0.581 nan 8.240 nan 0.000 0.527 152 G N 1.849 110.515 108.800 -0.225 0.000 2.176 152 G HA2 -0.334 3.058 3.960 -0.947 0.000 0.253 152 G HA3 -0.334 3.058 3.960 -0.947 0.000 0.253 152 G C 0.708 175.550 174.900 -0.096 0.000 0.979 152 G CA 0.547 45.538 45.100 -0.182 0.000 0.641 152 G HN 0.631 nan 8.290 nan 0.000 0.530 153 K N 0.426 120.788 120.400 -0.063 0.000 2.211 153 K HA 0.420 4.172 4.320 -0.947 0.000 0.203 153 K C 1.234 177.840 176.600 0.011 0.000 1.050 153 K CA 1.508 57.783 56.287 -0.020 0.000 0.945 153 K CB -0.126 32.371 32.500 -0.004 0.000 0.732 153 K HN 0.955 nan 8.250 nan 0.000 0.451 154 A N 0.065 122.907 122.820 0.036 0.000 2.401 154 A HA 0.397 4.148 4.320 -0.947 0.000 0.310 154 A C -0.258 177.409 177.584 0.138 0.000 1.075 154 A CA -0.806 51.284 52.037 0.088 0.000 0.746 154 A CB 1.460 20.535 19.000 0.125 0.000 1.277 154 A HN 0.011 nan 8.150 nan 0.000 0.425 155 K N 0.345 120.834 120.400 0.149 0.000 2.379 155 K HA 0.101 3.852 4.320 -0.947 0.000 0.194 155 K C 0.726 177.526 176.600 0.333 0.000 1.031 155 K CA 1.332 57.738 56.287 0.198 0.000 1.037 155 K CB 0.220 32.790 32.500 0.117 0.000 0.824 155 K HN 0.931 nan 8.250 nan 0.000 0.516 156 T N -2.635 112.072 114.554 0.256 0.000 2.888 156 T HA 0.615 4.396 4.350 -0.947 0.000 0.288 156 T C -0.039 174.678 174.700 0.028 0.000 1.063 156 T CA -0.825 61.343 62.100 0.113 0.000 1.010 156 T CB 1.566 70.459 68.868 0.040 0.000 1.214 156 T HN -0.086 nan 8.240 nan 0.000 0.533 157 I N 2.903 123.365 120.570 -0.179 0.000 2.307 157 I HA 0.205 3.807 4.170 -0.947 0.000 0.287 157 I C 1.652 177.675 176.117 -0.156 0.000 1.054 157 I CA -0.650 60.539 61.300 -0.186 0.000 1.218 157 I CB 1.421 39.221 38.000 -0.332 0.000 1.398 157 I HN 0.935 nan 8.210 nan 0.000 0.475 158 S N 3.483 119.132 115.700 -0.084 0.000 2.419 158 S HA -0.117 3.785 4.470 -0.947 0.000 0.233 158 S C 1.878 176.388 174.600 -0.150 0.000 1.016 158 S CA 0.983 59.126 58.200 -0.095 0.000 0.974 158 S CB -0.341 62.833 63.200 -0.043 0.000 0.786 158 S HN 0.749 nan 8.310 nan 0.000 0.492 159 G N 0.690 109.390 108.800 -0.167 0.000 2.744 159 G HA2 0.285 3.677 3.960 -0.947 0.000 0.211 159 G HA3 0.285 3.677 3.960 -0.947 0.000 0.211 159 G C 0.426 175.132 174.900 -0.323 0.000 1.143 159 G CA -0.073 44.893 45.100 -0.224 0.000 0.788 159 G HN 0.565 nan 8.290 nan 0.000 0.534 160 I N 1.999 122.348 120.570 -0.369 0.000 2.355 160 I HA 0.339 3.941 4.170 -0.947 0.000 0.288 160 I C 0.034 175.776 176.117 -0.626 0.000 0.999 160 I CA -0.506 60.503 61.300 -0.485 0.000 1.163 160 I CB 1.899 39.582 38.000 -0.528 0.000 1.316 160 I HN 0.013 nan 8.210 nan 0.000 0.454 161 T N 1.982 116.163 114.554 -0.623 0.000 2.907 161 T HA 0.668 4.449 4.350 -0.947 0.000 0.290 161 T C -0.775 173.539 174.700 -0.643 0.000 1.066 161 T CA -0.656 61.054 62.100 -0.650 0.000 1.012 161 T CB 1.849 70.534 68.868 -0.305 0.000 1.184 161 T HN 0.134 nan 8.240 nan 0.000 0.522 162 F N 0.973 120.901 119.950 -0.037 0.000 2.552 162 F HA 0.448 4.406 4.527 -0.949 0.000 0.369 162 F C -2.023 173.762 175.800 -0.025 0.000 1.112 162 F CA -2.505 55.481 58.000 -0.023 0.000 1.129 162 F CB 1.148 40.139 39.000 -0.014 0.000 1.360 162 F HN 0.383 nan 8.300 nan 0.000 0.473 163 P HA -0.155 nan 4.420 nan 0.000 0.216 163 P C 0.337 177.672 177.300 0.059 0.000 1.150 163 P CA 1.575 64.705 63.100 0.050 0.000 0.843 163 P CB 0.314 32.026 31.700 0.021 0.000 0.787 164 D N -1.432 119.013 120.400 0.075 0.000 2.593 164 D HA 0.332 4.404 4.640 -0.947 0.000 0.241 164 D C 0.868 177.193 176.300 0.041 0.000 1.257 164 D CA 0.272 54.298 54.000 0.044 0.000 0.828 164 D CB 0.398 41.211 40.800 0.021 0.000 1.049 164 D HN 0.100 nan 8.370 nan 0.000 0.490 165 G N 1.376 110.226 108.800 0.083 0.000 2.746 165 G HA2 -0.248 3.143 3.960 -0.947 0.000 0.685 165 G HA3 -0.248 3.143 3.960 -0.947 0.000 0.685 165 G C 0.559 175.380 174.900 -0.133 0.000 1.350 165 G CA -0.662 44.456 45.100 0.031 0.000 0.837 165 G HN 0.111 nan 8.290 nan 0.000 0.564 166 E N 0.077 120.074 120.200 -0.337 0.000 2.204 166 E HA -0.126 3.656 4.350 -0.947 0.000 0.195 166 E C 1.908 178.286 176.600 -0.370 0.000 0.990 166 E CA 1.444 57.417 56.400 -0.711 0.000 0.821 166 E CB -0.025 29.358 29.700 -0.529 0.000 0.750 166 E HN 0.538 nan 8.360 nan 0.000 0.477 167 N N -0.062 118.528 118.700 -0.183 0.000 2.270 167 N HA 0.063 4.235 4.740 -0.947 0.000 0.198 167 N C 0.451 175.925 175.510 -0.060 0.000 1.117 167 N CA -0.297 52.697 53.050 -0.093 0.000 0.845 167 N CB 0.966 39.422 38.487 -0.052 0.000 0.980 167 N HN -0.004 nan 8.380 nan 0.000 0.486 168 G N 0.307 109.067 108.800 -0.067 0.000 2.509 168 G HA2 0.139 3.531 3.960 -0.947 0.000 0.269 168 G HA3 0.139 3.531 3.960 -0.947 0.000 0.269 168 G C 0.633 175.518 174.900 -0.025 0.000 1.416 168 G CA -0.212 44.869 45.100 -0.031 0.000 1.052 168 G HN 0.017 nan 8.290 nan 0.000 0.542 169 K N -1.047 119.345 120.400 -0.013 0.000 2.402 169 K HA 0.275 4.026 4.320 -0.947 0.000 0.204 169 K C -0.299 176.295 176.600 -0.010 0.000 1.056 169 K CA 0.060 56.333 56.287 -0.023 0.000 1.069 169 K CB 1.358 33.828 32.500 -0.050 0.000 0.888 169 K HN 0.153 nan 8.250 nan 0.000 0.546 170 V N 2.280 122.212 119.914 0.030 0.000 2.495 170 V HA 0.477 4.029 4.120 -0.947 0.000 0.298 170 V C -0.520 175.649 176.094 0.124 0.000 1.031 170 V CA -0.979 61.343 62.300 0.037 0.000 0.871 170 V CB 1.747 33.580 31.823 0.016 0.000 0.988 170 V HN -0.028 nan 8.190 nan 0.000 0.432 171 I N 3.993 124.617 120.570 0.090 0.000 2.498 171 I HA 0.517 4.119 4.170 -0.947 0.000 0.290 171 I C -0.191 175.927 176.117 0.002 0.000 1.032 171 I CA -0.492 60.893 61.300 0.142 0.000 1.073 171 I CB 1.940 40.133 38.000 0.321 0.000 1.251 171 I HN 0.400 nan 8.210 nan 0.000 0.426 172 K N 4.430 124.780 120.400 -0.084 0.000 2.244 172 K HA 0.764 4.515 4.320 -0.947 0.000 0.260 172 K C -1.331 175.133 176.600 -0.227 0.000 0.951 172 K CA -0.764 55.436 56.287 -0.145 0.000 0.826 172 K CB 2.320 34.735 32.500 -0.142 0.000 1.108 172 K HN 0.341 nan 8.250 nan 0.000 0.433 173 V N 3.416 123.162 119.914 -0.279 0.000 2.378 173 V HA 0.179 3.731 4.120 -0.947 0.000 0.288 173 V C -0.449 175.233 176.094 -0.685 0.000 1.016 173 V CA -0.846 61.179 62.300 -0.459 0.000 0.840 173 V CB 1.401 32.975 31.823 -0.416 0.000 0.994 173 V HN 0.674 nan 8.190 nan 0.000 0.431 174 Q N 3.715 123.160 119.800 -0.591 0.000 2.257 174 Q HA 0.623 4.394 4.340 -0.947 0.000 0.255 174 Q C -1.380 174.277 176.000 -0.573 0.000 0.920 174 Q CA -0.054 55.459 55.803 -0.485 0.000 0.927 174 Q CB 1.095 29.680 28.738 -0.255 0.000 1.229 174 Q HN 0.544 nan 8.270 nan 0.000 0.433 175 F N 1.647 121.586 119.950 -0.019 0.000 2.483 175 F HA 0.431 4.389 4.527 -0.949 0.000 0.329 175 F C 1.154 176.951 175.800 -0.006 0.000 1.064 175 F CA -0.805 57.196 58.000 0.002 0.000 0.986 175 F CB 1.273 40.274 39.000 0.001 0.000 1.218 175 F HN 0.565 nan 8.300 nan 0.000 0.484 176 K N -0.078 120.443 120.400 0.201 0.000 2.155 176 K HA 0.023 3.774 4.320 -0.947 0.000 0.203 176 K C -0.232 176.418 176.600 0.083 0.000 1.052 176 K CA 1.092 57.444 56.287 0.109 0.000 0.948 176 K CB 0.121 32.677 32.500 0.092 0.000 0.728 176 K HN 0.431 nan 8.250 nan 0.000 0.448 177 E N 0.158 120.407 120.200 0.082 0.000 2.321 177 E HA 0.216 3.998 4.350 -0.947 0.000 0.278 177 E C -0.615 175.928 176.600 -0.096 0.000 0.902 177 E CA -0.469 55.924 56.400 -0.012 0.000 0.758 177 E CB 1.601 31.268 29.700 -0.056 0.000 1.213 177 E HN -0.071 nan 8.360 nan 0.000 0.426 178 M N 1.388 120.919 119.600 -0.114 0.000 2.226 178 M HA 0.287 4.199 4.480 -0.947 0.000 0.324 178 M C 0.165 176.280 176.300 -0.308 0.000 1.112 178 M CA 0.124 55.283 55.300 -0.234 0.000 1.176 178 M CB -0.028 32.495 32.600 -0.129 0.000 1.430 178 M HN 0.152 nan 8.290 nan 0.000 0.462 179 K N 1.980 122.143 120.400 -0.396 0.000 2.468 179 K HA 0.384 4.136 4.320 -0.947 0.000 0.252 179 K C -2.080 174.393 176.600 -0.212 0.000 0.932 179 K CA -1.591 54.454 56.287 -0.403 0.000 0.794 179 K CB 1.804 33.792 32.500 -0.853 0.000 1.241 179 K HN 0.186 nan 8.250 nan 0.000 0.428 180 P HA -0.117 nan 4.420 nan 0.000 0.220 180 P C 1.128 178.451 177.300 0.040 0.000 1.148 180 P CA 0.989 64.075 63.100 -0.025 0.000 0.803 180 P CB 0.185 31.876 31.700 -0.015 0.000 0.782 181 G N -0.578 108.238 108.800 0.027 0.000 2.776 181 G HA2 -0.138 3.253 3.960 -0.947 0.000 0.209 181 G HA3 -0.138 3.253 3.960 -0.947 0.000 0.209 181 G C 1.343 176.330 174.900 0.144 0.000 1.145 181 G CA 0.031 45.188 45.100 0.096 0.000 0.791 181 G HN 0.213 nan 8.290 nan 0.000 0.530 182 M N 1.204 120.887 119.600 0.137 0.000 2.549 182 M HA -0.033 3.879 4.480 -0.947 0.000 0.260 182 M C 2.395 178.959 176.300 0.440 0.000 1.076 182 M CA 1.394 56.867 55.300 0.288 0.000 1.090 182 M CB -0.053 32.677 32.600 0.216 0.000 1.418 182 M HN 0.296 nan 8.290 nan 0.000 0.486 183 T N -3.033 111.704 114.554 0.305 0.000 3.107 183 T HA 0.122 3.904 4.350 -0.947 0.000 0.249 183 T C 0.653 175.402 174.700 0.082 0.000 1.096 183 T CA -0.066 62.242 62.100 0.346 0.000 1.012 183 T CB 0.125 69.138 68.868 0.242 0.000 0.977 183 T HN 0.133 nan 8.240 nan 0.000 0.527 184 Q N 1.851 121.631 119.800 -0.032 0.000 2.271 184 Q HA 0.465 4.236 4.340 -0.947 0.000 0.258 184 Q C -0.234 175.433 176.000 -0.555 0.000 0.936 184 Q CA -0.230 55.435 55.803 -0.229 0.000 0.909 184 Q CB 1.957 30.724 28.738 0.048 0.000 1.253 184 Q HN 0.312 nan 8.270 nan 0.000 0.440 185 S N 0.535 115.746 115.700 -0.814 0.000 2.563 185 S HA 0.290 4.192 4.470 -0.947 0.000 0.284 185 S C 1.094 175.606 174.600 -0.146 0.000 1.331 185 S CA 1.276 59.223 58.200 -0.422 0.000 1.047 185 S CB 0.066 63.203 63.200 -0.105 0.000 0.859 185 S HN 0.893 nan 8.310 nan 0.000 0.514 186 G N 3.683 112.453 108.800 -0.051 0.000 2.159 186 G HA2 -0.336 3.055 3.960 -0.947 0.000 0.256 186 G HA3 -0.336 3.055 3.960 -0.947 0.000 0.256 186 G C 0.495 175.315 174.900 -0.134 0.000 0.977 186 G CA 0.886 45.930 45.100 -0.093 0.000 0.652 186 G HN 0.980 nan 8.290 nan 0.000 0.531 187 N N -0.268 118.347 118.700 -0.142 0.000 2.309 187 N HA 0.300 4.472 4.740 -0.947 0.000 0.182 187 N C 2.005 177.329 175.510 -0.310 0.000 1.018 187 N CA 1.961 54.923 53.050 -0.148 0.000 0.876 187 N CB -0.371 38.110 38.487 -0.010 0.000 0.972 187 N HN 1.655 nan 8.380 nan 0.000 0.434 188 G N -1.286 107.337 108.800 -0.295 0.000 2.205 188 G HA2 -0.347 3.044 3.960 -0.947 0.000 0.261 188 G HA3 -0.347 3.044 3.960 -0.947 0.000 0.261 188 G C 0.534 175.229 174.900 -0.342 0.000 0.980 188 G CA 0.589 45.489 45.100 -0.335 0.000 0.632 188 G HN 0.425 nan 8.290 nan 0.000 0.533 189 Y N 0.015 120.253 120.300 -0.102 0.000 2.475 189 Y HA 0.421 4.404 4.550 -0.945 0.000 0.289 189 Y C 1.394 177.514 175.900 0.367 0.000 1.121 189 Y CA 1.042 59.170 58.100 0.046 0.000 1.257 189 Y CB -0.050 38.383 38.460 -0.046 0.000 1.026 189 Y HN 0.563 nan 8.280 nan 0.000 0.555 190 F N -2.623 117.566 119.950 0.398 0.000 2.643 190 F HA 0.703 4.663 4.527 -0.946 0.000 0.314 190 F C -1.424 174.580 175.800 0.341 0.000 1.096 190 F CA -2.260 56.033 58.000 0.490 0.000 0.953 190 F CB 0.836 40.220 39.000 0.639 0.000 1.345 190 F HN -0.418 nan 8.300 nan 0.000 0.468 191 L N 0.879 122.393 121.223 0.484 0.000 2.358 191 L HA 0.527 4.299 4.340 -0.947 0.000 0.268 191 L C 0.134 177.333 176.870 0.549 0.000 1.032 191 L CA -0.585 54.368 54.840 0.189 0.000 0.805 191 L CB 1.668 43.510 42.059 -0.360 0.000 1.253 191 L HN 0.808 nan 8.230 nan 0.000 0.452 192 E N -0.072 120.353 120.200 0.375 0.000 2.693 192 E HA 0.118 3.900 4.350 -0.947 0.000 0.214 192 E C -0.609 176.092 176.600 0.168 0.000 0.990 192 E CA -0.057 56.592 56.400 0.415 0.000 1.047 192 E CB 1.079 31.060 29.700 0.468 0.000 1.039 192 E HN 0.748 nan 8.360 nan 0.000 0.475 193 T N -1.876 112.810 114.554 0.219 0.000 2.906 193 T HA 0.615 4.397 4.350 -0.947 0.000 0.295 193 T C -0.063 174.795 174.700 0.265 0.000 1.075 193 T CA -0.901 61.305 62.100 0.176 0.000 1.005 193 T CB 1.945 70.902 68.868 0.147 0.000 1.136 193 T HN -0.051 nan 8.240 nan 0.000 0.498 194 V N -1.183 118.898 119.914 0.278 0.000 2.881 194 V HA 1.012 4.564 4.120 -0.947 0.000 0.316 194 V C -0.036 176.378 176.094 0.533 0.000 1.070 194 V CA -1.222 61.318 62.300 0.399 0.000 0.976 194 V CB 0.871 32.891 31.823 0.328 0.000 1.038 194 V HN 1.488 nan 8.190 nan 0.000 0.446 195 A N 3.163 126.334 122.820 0.584 0.000 2.401 195 A HA 0.930 4.681 4.320 -0.947 0.000 0.310 195 A C -2.925 174.941 177.584 0.470 0.000 1.075 195 A CA -1.956 50.384 52.037 0.504 0.000 0.746 195 A CB 2.096 21.261 19.000 0.274 0.000 1.277 195 A HN 0.752 nan 8.150 nan 0.000 0.425 196 P HA 0.104 nan 4.420 nan 0.000 0.251 196 P C -0.135 177.069 177.300 -0.160 0.000 1.718 196 P CA 0.030 62.707 63.100 -0.706 0.000 1.119 196 P CB 0.128 30.893 31.700 -1.559 0.000 1.762 197 Y N 4.256 124.477 120.300 -0.131 0.000 2.128 197 Y HA -0.267 3.713 4.550 -0.949 0.000 0.284 197 Y C 2.195 177.923 175.900 -0.288 0.000 1.154 197 Y CA 1.986 59.837 58.100 -0.415 0.000 1.149 197 Y CB -0.368 37.829 38.460 -0.439 0.000 0.976 197 Y HN 0.184 nan 8.280 nan 0.000 0.505 198 Q N -1.191 118.453 119.800 -0.261 0.000 2.170 198 Q HA -0.236 3.536 4.340 -0.947 0.000 0.203 198 Q C 2.096 177.960 176.000 -0.228 0.000 0.976 198 Q CA 1.655 57.293 55.803 -0.275 0.000 0.858 198 Q CB -0.921 27.756 28.738 -0.101 0.000 0.907 198 Q HN 0.687 nan 8.270 nan 0.000 0.433 199 Y N 0.281 120.371 120.300 -0.350 0.000 2.314 199 Y HA -0.059 3.921 4.550 -0.949 0.000 0.293 199 Y C 1.644 177.402 175.900 -0.237 0.000 1.129 199 Y CA 1.022 58.953 58.100 -0.282 0.000 1.201 199 Y CB 0.187 38.453 38.460 -0.323 0.000 0.999 199 Y HN 0.000 nan 8.280 nan 0.000 0.541 200 L N -0.178 120.903 121.223 -0.236 0.000 2.817 200 L HA 0.071 3.843 4.340 -0.947 0.000 0.248 200 L C 2.002 178.736 176.870 -0.227 0.000 1.133 200 L CA 0.129 54.861 54.840 -0.180 0.000 0.935 200 L CB -0.047 42.066 42.059 0.091 0.000 1.266 200 L HN 0.018 nan 8.230 nan 0.000 0.535 201 K N -0.581 119.515 120.400 -0.506 0.000 2.280 201 K HA -0.137 3.615 4.320 -0.947 0.000 0.202 201 K C 0.483 176.938 176.600 -0.241 0.000 1.047 201 K CA 1.429 57.353 56.287 -0.604 0.000 0.942 201 K CB -0.059 31.784 32.500 -1.095 0.000 0.739 201 K HN 0.165 nan 8.250 nan 0.000 0.457 202 D N 1.167 121.449 120.400 -0.197 0.000 2.349 202 D HA 0.072 4.144 4.640 -0.947 0.000 0.214 202 D C -0.231 176.027 176.300 -0.071 0.000 1.063 202 D CA 0.039 53.971 54.000 -0.113 0.000 0.847 202 D CB 0.554 41.281 40.800 -0.122 0.000 0.933 202 D HN -0.027 nan 8.370 nan 0.000 0.513 203 V N 1.660 121.542 119.914 -0.053 0.000 2.530 203 V HA 0.361 3.912 4.120 -0.947 0.000 0.282 203 V C 0.796 176.910 176.094 0.033 0.000 1.048 203 V CA -1.108 61.185 62.300 -0.012 0.000 0.997 203 V CB 1.070 32.895 31.823 0.003 0.000 0.987 203 V HN 0.097 nan 8.190 nan 0.000 0.477 204 A N 6.974 129.798 122.820 0.006 0.000 2.511 204 A HA 0.346 4.098 4.320 -0.947 0.000 0.242 204 A C -1.069 176.502 177.584 -0.021 0.000 1.069 204 A CA -0.790 51.239 52.037 -0.012 0.000 0.763 204 A CB -0.119 18.863 19.000 -0.030 0.000 1.001 204 A HN 0.734 nan 8.150 nan 0.000 0.498 205 P HA -0.256 nan 4.420 nan 0.000 0.216 205 P C 1.286 178.486 177.300 -0.167 0.000 1.154 205 P CA 2.166 65.037 63.100 -0.382 0.000 0.865 205 P CB 0.034 31.118 31.700 -1.028 0.000 0.789 206 K N -1.104 119.217 120.400 -0.132 0.000 2.362 206 K HA -0.109 3.643 4.320 -0.947 0.000 0.200 206 K C 0.604 177.201 176.600 -0.005 0.000 1.046 206 K CA 1.484 57.738 56.287 -0.056 0.000 0.952 206 K CB -0.512 31.953 32.500 -0.058 0.000 0.753 206 K HN 0.110 nan 8.250 nan 0.000 0.466 207 D N 0.659 121.062 120.400 0.006 0.000 2.369 207 D HA 0.002 4.073 4.640 -0.947 0.000 0.211 207 D C 1.523 177.853 176.300 0.051 0.000 1.077 207 D CA 0.008 54.020 54.000 0.020 0.000 0.842 207 D CB 0.311 41.114 40.800 0.004 0.000 0.947 207 D HN 0.100 nan 8.370 nan 0.000 0.509 208 L N 1.556 122.841 121.223 0.103 0.000 2.027 208 L HA -0.023 3.748 4.340 -0.947 0.000 0.206 208 L C 2.141 179.076 176.870 0.109 0.000 1.074 208 L CA 1.532 56.459 54.840 0.146 0.000 0.745 208 L CB -0.682 41.556 42.059 0.297 0.000 0.898 208 L HN -0.028 nan 8.230 nan 0.000 0.433 209 A N -1.277 121.604 122.820 0.101 0.000 2.019 209 A HA -0.156 3.595 4.320 -0.947 0.000 0.219 209 A C 2.238 179.844 177.584 0.036 0.000 1.164 209 A CA 1.728 53.805 52.037 0.066 0.000 0.644 209 A CB -0.802 18.232 19.000 0.057 0.000 0.805 209 A HN 0.635 nan 8.150 nan 0.000 0.449 210 S N -1.266 114.453 115.700 0.032 0.000 2.540 210 S HA 0.240 4.141 4.470 -0.947 0.000 0.218 210 S C 0.734 175.344 174.600 0.016 0.000 0.977 210 S CA 0.396 58.606 58.200 0.016 0.000 0.918 210 S CB -0.438 62.767 63.200 0.009 0.000 0.806 210 S HN 0.393 nan 8.310 nan 0.000 0.496 211 S N 2.757 118.472 115.700 0.025 0.000 2.562 211 S HA 0.272 4.174 4.470 -0.947 0.000 0.281 211 S C -1.555 173.058 174.600 0.021 0.000 1.333 211 S CA -1.142 57.064 58.200 0.011 0.000 1.052 211 S CB 0.693 63.895 63.200 0.004 0.000 0.884 211 S HN 0.077 nan 8.310 nan 0.000 0.506 212 P HA -0.124 nan 4.420 nan 0.000 0.217 212 P C 0.795 178.124 177.300 0.049 0.000 1.151 212 P CA 1.477 64.592 63.100 0.025 0.000 0.849 212 P CB 0.076 31.779 31.700 0.005 0.000 0.787 213 K N -1.158 119.248 120.400 0.009 0.000 2.442 213 K HA -0.056 3.695 4.320 -0.947 0.000 0.198 213 K C 1.374 178.072 176.600 0.164 0.000 1.044 213 K CA 1.670 57.980 56.287 0.038 0.000 0.948 213 K CB -0.530 31.814 32.500 -0.259 0.000 0.762 213 K HN 0.342 nan 8.250 nan 0.000 0.472 214 T N -3.694 110.950 114.554 0.151 0.000 3.084 214 T HA 0.094 3.876 4.350 -0.947 0.000 0.270 214 T C 1.218 176.112 174.700 0.324 0.000 1.008 214 T CA 0.272 62.511 62.100 0.231 0.000 0.900 214 T CB 0.444 69.413 68.868 0.168 0.000 1.084 214 T HN 0.158 nan 8.240 nan 0.000 0.538 215 T N -0.930 113.786 114.554 0.270 0.000 3.425 215 T HA 0.115 3.896 4.350 -0.947 0.000 0.225 215 T C 1.978 176.853 174.700 0.292 0.000 0.992 215 T CA 0.843 63.079 62.100 0.226 0.000 1.174 215 T CB -0.118 68.787 68.868 0.062 0.000 1.240 215 T HN 0.257 nan 8.240 nan 0.000 0.350 216 T N 0.005 114.651 114.554 0.153 0.000 3.044 216 T HA 0.357 4.139 4.350 -0.947 0.000 0.255 216 T C 0.832 175.565 174.700 0.055 0.000 1.073 216 T CA 0.056 62.224 62.100 0.114 0.000 1.125 216 T CB -0.211 68.695 68.868 0.064 0.000 0.908 216 T HN 0.356 nan 8.240 nan 0.000 0.480 217 K N 2.578 123.004 120.400 0.043 0.000 2.954 217 K HA 0.340 4.092 4.320 -0.947 0.000 0.171 217 K C -2.926 173.704 176.600 0.049 0.000 1.079 217 K CA -1.658 54.641 56.287 0.020 0.000 0.908 217 K CB 1.859 34.400 32.500 0.068 0.000 1.142 217 K HN 0.325 nan 8.250 nan 0.000 0.613 218 P HA 0.274 nan 4.420 nan 0.000 0.280 218 P C -0.441 176.698 177.300 -0.267 0.000 1.272 218 P CA -0.606 62.413 63.100 -0.135 0.000 0.819 218 P CB 1.328 32.748 31.700 -0.467 0.000 1.122 219 L N 0.633 121.656 121.223 -0.333 0.000 2.325 219 L HA 0.575 4.346 4.340 -0.947 0.000 0.279 219 L C 0.686 177.614 176.870 0.097 0.000 1.054 219 L CA -0.854 53.821 54.840 -0.276 0.000 0.804 219 L CB 1.474 43.202 42.059 -0.552 0.000 1.200 219 L HN 0.253 nan 8.230 nan 0.000 0.436 220 V N -1.129 118.930 119.914 0.243 0.000 3.167 220 V HA 0.601 4.152 4.120 -0.947 0.000 0.310 220 V C 0.290 176.573 176.094 0.315 0.000 1.207 220 V CA -0.095 62.408 62.300 0.339 0.000 1.059 220 V CB 1.800 33.713 31.823 0.149 0.000 1.079 220 V HN 0.824 nan 8.190 nan 0.000 0.446 221 T N -2.399 112.269 114.554 0.189 0.000 3.040 221 T HA 0.452 4.233 4.350 -0.947 0.000 0.266 221 T C 0.832 175.656 174.700 0.208 0.000 1.005 221 T CA 0.519 62.672 62.100 0.088 0.000 0.906 221 T CB -0.119 68.698 68.868 -0.085 0.000 1.082 221 T HN 1.423 nan 8.240 nan 0.000 0.531 222 G N 2.326 111.212 108.800 0.143 0.000 2.563 222 G HA2 0.487 3.879 3.960 -0.947 0.000 0.283 222 G HA3 0.487 3.879 3.960 -0.947 0.000 0.283 222 G C -1.388 173.315 174.900 -0.328 0.000 1.309 222 G CA -1.397 43.705 45.100 0.003 0.000 1.022 222 G HN 0.028 nan 8.290 nan 0.000 0.501 223 P HA 0.024 nan 4.420 nan 0.000 0.221 223 P C -0.131 176.801 177.300 -0.613 0.000 1.150 223 P CA 0.961 63.421 63.100 -1.066 0.000 0.800 223 P CB 0.167 31.347 31.700 -0.867 0.000 0.787 224 F N 0.421 120.192 119.950 -0.299 0.000 2.579 224 F HA 0.433 4.397 4.527 -0.939 0.000 0.324 224 F C 0.913 176.719 175.800 0.010 0.000 1.058 224 F CA -1.109 56.811 58.000 -0.133 0.000 0.944 224 F CB 1.902 40.776 39.000 -0.211 0.000 1.245 224 F HN -0.362 nan 8.300 nan 0.000 0.477 225 K N 1.203 121.776 120.400 0.290 0.000 2.328 225 K HA 0.589 4.340 4.320 -0.947 0.000 0.246 225 K C -3.182 173.541 176.600 0.205 0.000 0.955 225 K CA -2.114 54.288 56.287 0.191 0.000 0.817 225 K CB 2.138 34.679 32.500 0.070 0.000 1.208 225 K HN 0.142 nan 8.250 nan 0.000 0.432 226 P HA 0.015 nan 4.420 nan 0.000 0.279 226 P C -0.268 176.970 177.300 -0.104 0.000 1.318 226 P CA 0.098 63.081 63.100 -0.195 0.000 0.819 226 P CB 1.381 32.870 31.700 -0.351 0.000 0.927 227 E N 3.562 123.736 120.200 -0.043 0.000 2.158 227 E HA -0.091 3.690 4.350 -0.947 0.000 0.191 227 E C -0.219 176.374 176.600 -0.013 0.000 0.982 227 E CA 0.932 57.327 56.400 -0.007 0.000 0.823 227 E CB 0.323 30.041 29.700 0.030 0.000 0.766 227 E HN 0.394 nan 8.360 nan 0.000 0.468 228 N N -0.939 117.748 118.700 -0.022 0.000 2.324 228 N HA 0.213 4.385 4.740 -0.947 0.000 0.285 228 N C -1.963 173.552 175.510 0.009 0.000 1.076 228 N CA -0.470 52.580 53.050 0.001 0.000 0.864 228 N CB 2.242 40.737 38.487 0.013 0.000 1.632 228 N HN -0.242 nan 8.380 nan 0.000 0.478 229 V N 2.641 122.582 119.914 0.045 0.000 2.409 229 V HA 0.478 4.030 4.120 -0.947 0.000 0.291 229 V C -0.470 175.658 176.094 0.057 0.000 1.020 229 V CA -0.780 61.569 62.300 0.082 0.000 0.848 229 V CB 1.646 33.565 31.823 0.160 0.000 0.990 229 V HN 0.467 nan 8.190 nan 0.000 0.430 230 V N 4.561 124.505 119.914 0.051 0.000 2.333 230 V HA 0.546 4.097 4.120 -0.947 0.000 0.274 230 V C 0.813 176.927 176.094 0.033 0.000 1.028 230 V CA -0.649 61.675 62.300 0.040 0.000 0.851 230 V CB 1.369 33.218 31.823 0.043 0.000 1.000 230 V HN 1.005 nan 8.190 nan 0.000 0.456 231 A N 4.196 127.028 122.820 0.020 0.000 2.567 231 A HA 0.470 4.222 4.320 -0.947 0.000 0.240 231 A C 1.627 179.212 177.584 0.002 0.000 1.053 231 A CA 0.845 52.882 52.037 0.000 0.000 0.755 231 A CB -0.482 18.514 19.000 -0.006 0.000 0.978 231 A HN 2.130 nan 8.150 nan 0.000 0.507 232 G N 1.766 110.560 108.800 -0.010 0.000 2.234 232 G HA2 -0.283 3.108 3.960 -0.947 0.000 0.260 232 G HA3 -0.283 3.108 3.960 -0.947 0.000 0.260 232 G C 0.567 175.480 174.900 0.022 0.000 0.987 232 G CA 1.008 46.108 45.100 -0.000 0.000 0.625 232 G HN 0.781 nan 8.290 nan 0.000 0.532 233 E N -0.867 119.353 120.200 0.035 0.000 2.629 233 E HA 0.368 4.149 4.350 -0.947 0.000 0.197 233 E C 0.827 177.470 176.600 0.072 0.000 0.955 233 E CA 0.720 57.154 56.400 0.055 0.000 1.191 233 E CB 0.844 30.579 29.700 0.058 0.000 1.175 233 E HN 0.818 nan 8.360 nan 0.000 0.501 234 S N 0.085 115.828 115.700 0.072 0.000 2.588 234 S HA 0.617 4.519 4.470 -0.947 0.000 0.269 234 S C -1.241 173.401 174.600 0.069 0.000 1.157 234 S CA -0.921 57.332 58.200 0.088 0.000 0.824 234 S CB 1.385 64.646 63.200 0.102 0.000 1.126 234 S HN 0.120 nan 8.310 nan 0.000 0.464 235 I N 1.064 121.664 120.570 0.050 0.000 2.499 235 I HA 0.506 4.108 4.170 -0.947 0.000 0.288 235 I C -0.822 175.234 176.117 -0.102 0.000 1.048 235 I CA -0.677 60.579 61.300 -0.074 0.000 1.062 235 I CB 2.293 40.143 38.000 -0.250 0.000 1.238 235 I HN 0.698 nan 8.210 nan 0.000 0.426 236 K N 6.039 126.378 120.400 -0.102 0.000 2.253 236 K HA 0.409 4.161 4.320 -0.947 0.000 0.277 236 K C -1.738 174.807 176.600 -0.090 0.000 1.053 236 K CA -0.054 56.212 56.287 -0.036 0.000 0.892 236 K CB 0.418 32.930 32.500 0.020 0.000 1.102 236 K HN 0.363 nan 8.250 nan 0.000 0.469 237 Y N 3.483 123.814 120.300 0.052 0.000 2.342 237 Y HA 0.411 4.323 4.550 -1.063 0.000 0.334 237 Y C 0.168 176.182 175.900 0.191 0.000 1.067 237 Y CA -0.770 57.375 58.100 0.076 0.000 1.128 237 Y CB 1.661 40.061 38.460 -0.099 0.000 1.200 237 Y HN 0.406 nan 8.280 nan 0.000 0.464 238 V N 1.012 121.192 119.914 0.443 0.000 3.074 238 V HA 0.711 4.262 4.120 -0.947 0.000 0.314 238 V C -3.043 173.196 176.094 0.241 0.000 1.117 238 V CA -3.534 58.978 62.300 0.355 0.000 1.014 238 V CB 2.016 33.937 31.823 0.164 0.000 1.057 238 V HN 0.452 nan 8.190 nan 0.000 0.438 239 P HA 0.144 nan 4.420 nan 0.000 0.265 239 P C -0.882 176.304 177.300 -0.191 0.000 1.193 239 P CA 0.349 63.220 63.100 -0.380 0.000 0.765 239 P CB 0.146 31.663 31.700 -0.306 0.000 0.823 240 N N 4.991 123.558 118.700 -0.221 0.000 2.415 240 N HA 0.143 4.314 4.740 -0.947 0.000 0.246 240 N C -1.695 173.764 175.510 -0.085 0.000 1.078 240 N CA -2.360 50.651 53.050 -0.065 0.000 0.942 240 N CB 0.176 38.661 38.487 -0.003 0.000 1.140 240 N HN 0.131 nan 8.380 nan 0.000 0.501 241 P HA -0.141 nan 4.420 nan 0.000 0.217 241 P C 0.089 177.168 177.300 -0.367 0.000 1.148 241 P CA 1.508 64.394 63.100 -0.357 0.000 0.834 241 P CB -0.029 31.293 31.700 -0.632 0.000 0.783 242 Y N -4.039 116.283 120.300 0.037 0.000 2.468 242 Y HA 0.159 4.138 4.550 -0.951 0.000 0.268 242 Y C 0.982 176.929 175.900 0.078 0.000 1.177 242 Y CA -0.960 57.171 58.100 0.051 0.000 1.265 242 Y CB -1.095 37.400 38.460 0.059 0.000 1.103 242 Y HN -0.102 nan 8.280 nan 0.000 0.522 243 Y N 1.956 122.265 120.300 0.015 0.000 2.712 243 Y HA -0.180 3.809 4.550 -0.936 0.000 0.333 243 Y C 1.386 177.238 175.900 -0.080 0.000 1.225 243 Y CA -0.807 57.238 58.100 -0.092 0.000 1.499 243 Y CB 0.476 38.797 38.460 -0.232 0.000 1.288 243 Y HN 0.394 nan 8.280 nan 0.000 0.575 244 W N 4.663 125.598 121.300 -0.607 0.000 2.519 244 W HA 0.171 4.261 4.660 -0.950 0.000 0.266 244 W C 0.482 176.674 176.519 -0.546 0.000 1.253 244 W CA 0.398 57.453 57.345 -0.483 0.000 1.274 244 W CB -1.122 28.112 29.460 -0.376 0.000 1.114 244 W HN 0.706 nan 8.180 nan 0.000 0.596 245 G N 1.668 109.444 108.800 -1.708 0.000 2.508 245 G HA2 0.168 3.559 3.960 -0.947 0.000 0.278 245 G HA3 0.168 3.559 3.960 -0.947 0.000 0.278 245 G C -0.195 174.527 174.900 -0.297 0.000 1.389 245 G CA -0.633 43.893 45.100 -0.956 0.000 1.050 245 G HN -0.090 nan 8.290 nan 0.000 0.522 246 E N 0.261 120.410 120.200 -0.086 0.000 2.392 246 E HA 0.132 3.914 4.350 -0.947 0.000 0.259 246 E C 0.106 176.720 176.600 0.024 0.000 1.108 246 E CA -0.084 56.309 56.400 -0.013 0.000 0.916 246 E CB 0.866 30.571 29.700 0.009 0.000 0.989 246 E HN 0.284 nan 8.360 nan 0.000 0.432 247 K N 2.279 122.672 120.400 -0.012 0.000 2.485 247 K HA 0.092 3.844 4.320 -0.947 0.000 0.277 247 K C -2.060 174.508 176.600 -0.055 0.000 0.990 247 K CA -1.027 55.230 56.287 -0.050 0.000 0.994 247 K CB -0.346 32.118 32.500 -0.061 0.000 0.906 247 K HN 0.251 nan 8.250 nan 0.000 0.488 248 P HA 0.056 nan 4.420 nan 0.000 0.272 248 P C -0.067 177.235 177.300 0.004 0.000 1.240 248 P CA -0.303 62.756 63.100 -0.067 0.000 0.791 248 P CB 0.666 32.223 31.700 -0.238 0.000 0.978 249 K N 0.039 120.481 120.400 0.070 0.000 2.062 249 K HA 0.025 3.776 4.320 -0.947 0.000 0.205 249 K C 0.782 177.439 176.600 0.094 0.000 1.051 249 K CA 0.812 57.138 56.287 0.065 0.000 0.941 249 K CB -0.347 32.191 32.500 0.062 0.000 0.719 249 K HN 0.351 nan 8.250 nan 0.000 0.440 250 L N 1.941 123.274 121.223 0.184 0.000 2.436 250 L HA 0.030 3.802 4.340 -0.947 0.000 0.265 250 L C 1.177 178.178 176.870 0.218 0.000 1.168 250 L CA -0.467 54.500 54.840 0.211 0.000 0.815 250 L CB 0.471 42.695 42.059 0.274 0.000 1.109 250 L HN 0.088 nan 8.230 nan 0.000 0.462 251 N N -0.001 118.798 118.700 0.164 0.000 2.376 251 N HA -0.026 4.145 4.740 -0.947 0.000 0.177 251 N C -0.047 175.598 175.510 0.225 0.000 1.024 251 N CA 0.538 53.676 53.050 0.148 0.000 0.893 251 N CB 0.233 38.774 38.487 0.091 0.000 0.980 251 N HN 0.721 nan 8.380 nan 0.000 0.439 252 S N -0.948 114.898 115.700 0.242 0.000 2.567 252 S HA 0.628 4.530 4.470 -0.947 0.000 0.270 252 S C -1.125 173.524 174.600 0.082 0.000 1.152 252 S CA -0.975 57.359 58.200 0.223 0.000 0.835 252 S CB 1.503 64.793 63.200 0.149 0.000 1.115 252 S HN -0.019 nan 8.310 nan 0.000 0.459 253 I N 1.791 122.349 120.570 -0.020 0.000 2.533 253 I HA 0.509 4.111 4.170 -0.947 0.000 0.290 253 I C -0.359 175.799 176.117 0.069 0.000 1.056 253 I CA -0.625 60.619 61.300 -0.094 0.000 1.057 253 I CB 2.703 40.447 38.000 -0.426 0.000 1.240 253 I HN 0.915 nan 8.210 nan 0.000 0.423 254 T N 1.929 116.531 114.554 0.080 0.000 2.824 254 T HA 0.522 4.303 4.350 -0.947 0.000 0.280 254 T C -1.003 173.795 174.700 0.162 0.000 0.995 254 T CA -0.656 61.526 62.100 0.135 0.000 1.009 254 T CB 1.392 70.338 68.868 0.130 0.000 0.955 254 T HN 0.478 nan 8.240 nan 0.000 0.452 255 Y N 1.010 121.372 120.300 0.103 0.000 2.338 255 Y HA 0.472 4.572 4.550 -0.751 0.000 0.333 255 Y C -0.119 175.814 175.900 0.055 0.000 0.968 255 Y CA -0.793 57.355 58.100 0.080 0.000 1.123 255 Y CB 1.370 39.896 38.460 0.111 0.000 1.165 255 Y HN 0.754 nan 8.280 nan 0.000 0.452 256 E N 3.598 124.000 120.200 0.336 0.000 2.317 256 E HA 0.348 4.130 4.350 -0.947 0.000 0.270 256 E C -1.320 175.350 176.600 0.116 0.000 0.885 256 E CA -0.992 55.519 56.400 0.184 0.000 0.760 256 E CB 2.903 32.729 29.700 0.209 0.000 1.227 256 E HN 0.352 nan 8.360 nan 0.000 0.434 257 V N 2.366 122.340 119.914 0.099 0.000 2.637 257 V HA 0.138 3.690 4.120 -0.947 0.000 0.296 257 V C 0.057 176.186 176.094 0.059 0.000 1.046 257 V CA -0.042 62.309 62.300 0.085 0.000 1.066 257 V CB 1.238 33.109 31.823 0.079 0.000 0.968 257 V HN 0.363 nan 8.190 nan 0.000 0.483 258 V N 5.232 125.159 119.914 0.021 0.000 2.735 258 V HA 0.636 4.188 4.120 -0.947 0.000 0.310 258 V C 0.247 176.354 176.094 0.023 0.000 1.061 258 V CA -0.244 62.078 62.300 0.038 0.000 0.913 258 V CB 2.706 34.540 31.823 0.019 0.000 1.005 258 V HN 1.077 nan 8.190 nan 0.000 0.428 259 S N 3.218 118.940 115.700 0.037 0.000 2.593 259 S HA 0.134 4.036 4.470 -0.947 0.000 0.269 259 S C 1.473 176.073 174.600 -0.001 0.000 1.334 259 S CA 0.340 58.551 58.200 0.018 0.000 1.015 259 S CB 1.214 64.429 63.200 0.024 0.000 0.912 259 S HN 1.332 nan 8.310 nan 0.000 0.541 260 T N -0.363 114.182 114.554 -0.015 0.000 2.720 260 T HA -0.163 3.619 4.350 -0.947 0.000 0.268 260 T C 1.925 176.619 174.700 -0.010 0.000 1.037 260 T CA 1.263 63.348 62.100 -0.026 0.000 1.144 260 T CB -1.124 67.727 68.868 -0.029 0.000 0.864 260 T HN 0.958 nan 8.240 nan 0.000 0.444 261 A N 1.624 124.443 122.820 -0.001 0.000 2.067 261 A HA 0.070 3.821 4.320 -0.947 0.000 0.219 261 A C 2.264 179.854 177.584 0.011 0.000 1.158 261 A CA 1.145 53.184 52.037 0.003 0.000 0.661 261 A CB -0.373 18.630 19.000 0.005 0.000 0.801 261 A HN 0.625 nan 8.150 nan 0.000 0.452 262 K N -0.779 119.634 120.400 0.021 0.000 2.355 262 K HA 0.181 3.932 4.320 -0.947 0.000 0.198 262 K C 1.770 178.400 176.600 0.050 0.000 1.039 262 K CA 0.444 56.753 56.287 0.037 0.000 1.075 262 K CB 0.376 32.909 32.500 0.055 0.000 0.870 262 K HN 0.319 nan 8.250 nan 0.000 0.540 263 S N 1.063 116.782 115.700 0.032 0.000 2.353 263 S HA -0.146 3.756 4.470 -0.947 0.000 0.222 263 S C 2.033 176.642 174.600 0.015 0.000 1.035 263 S CA 1.421 59.639 58.200 0.030 0.000 1.025 263 S CB -0.169 63.018 63.200 -0.022 0.000 0.902 263 S HN 0.037 nan 8.310 nan 0.000 0.440 264 V N 2.050 121.958 119.914 -0.009 0.000 2.343 264 V HA -0.217 3.335 4.120 -0.947 0.000 0.247 264 V C 2.631 178.708 176.094 -0.029 0.000 1.051 264 V CA 1.734 64.013 62.300 -0.034 0.000 1.036 264 V CB -1.286 30.518 31.823 -0.031 0.000 0.654 264 V HN 0.550 nan 8.190 nan 0.000 0.451 265 A N 0.053 122.869 122.820 -0.007 0.000 1.933 265 A HA -0.128 3.623 4.320 -0.947 0.000 0.218 265 A C 2.439 180.024 177.584 0.002 0.000 1.175 265 A CA 2.086 54.121 52.037 -0.003 0.000 0.628 265 A CB -0.794 18.207 19.000 0.003 0.000 0.814 265 A HN 0.590 nan 8.150 nan 0.000 0.444 266 A N -0.243 122.593 122.820 0.026 0.000 1.940 266 A HA -0.075 3.676 4.320 -0.947 0.000 0.219 266 A C 2.165 179.767 177.584 0.030 0.000 1.176 266 A CA 1.552 53.607 52.037 0.030 0.000 0.631 266 A CB -0.574 18.536 19.000 0.182 0.000 0.814 266 A HN 0.493 nan 8.150 nan 0.000 0.446 267 L N -0.701 120.521 121.223 -0.001 0.000 2.056 267 L HA -0.149 3.623 4.340 -0.947 0.000 0.207 267 L C 2.863 179.741 176.870 0.014 0.000 1.078 267 L CA 1.449 56.228 54.840 -0.101 0.000 0.749 267 L CB -0.522 41.313 42.059 -0.374 0.000 0.901 267 L HN 0.321 nan 8.230 nan 0.000 0.433 268 S N -0.116 115.581 115.700 -0.005 0.000 2.370 268 S HA -0.160 3.741 4.470 -0.947 0.000 0.226 268 S C 1.955 176.583 174.600 0.047 0.000 1.033 268 S CA 1.676 59.893 58.200 0.028 0.000 1.011 268 S CB -0.241 62.959 63.200 0.001 0.000 0.852 268 S HN 0.606 nan 8.310 nan 0.000 0.457 269 S N 0.463 116.178 115.700 0.025 0.000 2.593 269 S HA 0.215 4.117 4.470 -0.947 0.000 0.217 269 S C 0.632 175.238 174.600 0.010 0.000 0.966 269 S CA 0.326 58.530 58.200 0.007 0.000 0.914 269 S CB -0.205 62.981 63.200 -0.023 0.000 0.776 269 S HN 0.215 nan 8.310 nan 0.000 0.523 270 S N 0.935 116.677 115.700 0.070 0.000 3.533 270 S HA -0.229 3.673 4.470 -0.947 0.000 0.347 270 S C 0.988 175.579 174.600 -0.015 0.000 1.101 270 S CA 1.097 59.351 58.200 0.089 0.000 1.009 270 S CB -1.738 61.486 63.200 0.040 0.000 0.916 270 S HN 0.818 nan 8.310 nan 0.000 0.496 271 K N -0.312 120.013 120.400 -0.125 0.000 2.097 271 K HA -0.075 3.677 4.320 -0.947 0.000 0.206 271 K C -0.047 176.259 176.600 -0.490 0.000 1.049 271 K CA 1.272 57.329 56.287 -0.384 0.000 0.933 271 K CB 0.093 32.221 32.500 -0.619 0.000 0.717 271 K HN 0.517 nan 8.250 nan 0.000 0.442 272 Y N 0.202 120.553 120.300 0.084 0.000 2.485 272 Y HA 0.188 4.177 4.550 -0.934 0.000 0.345 272 Y C 0.482 176.462 175.900 0.134 0.000 0.998 272 Y CA -1.291 56.857 58.100 0.080 0.000 1.059 272 Y CB 1.806 40.300 38.460 0.057 0.000 1.234 272 Y HN -0.065 nan 8.280 nan 0.000 0.461 273 D N 1.483 122.035 120.400 0.253 0.000 2.213 273 D HA 0.100 4.172 4.640 -0.947 0.000 0.205 273 D C 0.026 176.452 176.300 0.210 0.000 0.961 273 D CA 1.544 55.650 54.000 0.177 0.000 0.853 273 D CB 0.748 41.602 40.800 0.090 0.000 0.967 273 D HN 0.372 nan 8.370 nan 0.000 0.496 274 I N 0.991 121.657 120.570 0.161 0.000 2.607 274 I HA 0.299 3.901 4.170 -0.947 0.000 0.290 274 I C -0.846 175.280 176.117 0.014 0.000 1.129 274 I CA -0.562 60.787 61.300 0.082 0.000 1.042 274 I CB 2.933 40.939 38.000 0.010 0.000 1.242 274 I HN -0.323 nan 8.210 nan 0.000 0.421 275 I N 5.474 126.034 120.570 -0.017 0.000 2.418 275 I HA 0.391 3.993 4.170 -0.947 0.000 0.287 275 I C -0.579 175.455 176.117 -0.139 0.000 1.008 275 I CA -0.655 60.582 61.300 -0.106 0.000 1.104 275 I CB 1.579 39.510 38.000 -0.115 0.000 1.264 275 I HN 0.511 nan 8.210 nan 0.000 0.438 276 N N 3.401 122.019 118.700 -0.137 0.000 2.477 276 N HA 0.423 4.595 4.740 -0.947 0.000 0.284 276 N C 0.865 176.091 175.510 -0.475 0.000 1.182 276 N CA 0.268 53.215 53.050 -0.172 0.000 0.949 276 N CB 1.891 40.436 38.487 0.097 0.000 1.204 276 N HN 0.904 nan 8.380 nan 0.000 0.526 277 G N 0.155 108.678 108.800 -0.461 0.000 2.155 277 G HA2 -0.286 3.106 3.960 -0.947 0.000 0.257 277 G HA3 -0.286 3.106 3.960 -0.947 0.000 0.257 277 G C 0.153 174.763 174.900 -0.485 0.000 0.983 277 G CA 0.093 44.844 45.100 -0.581 0.000 0.676 277 G HN 0.468 nan 8.290 nan 0.000 0.528 278 M N 0.848 120.145 119.600 -0.506 0.000 2.248 278 M HA 0.346 4.258 4.480 -0.947 0.000 0.345 278 M C 1.387 177.414 176.300 -0.456 0.000 1.243 278 M CA 0.120 55.132 55.300 -0.481 0.000 1.090 278 M CB 0.900 33.169 32.600 -0.551 0.000 1.683 278 M HN 0.425 nan 8.290 nan 0.000 0.450 279 V N 1.082 120.873 119.914 -0.204 0.000 3.133 279 V HA 0.211 3.763 4.120 -0.947 0.000 0.305 279 V C 1.126 177.281 176.094 0.102 0.000 1.084 279 V CA -0.024 62.224 62.300 -0.086 0.000 1.089 279 V CB 1.131 32.923 31.823 -0.053 0.000 1.073 279 V HN 1.031 nan 8.190 nan 0.000 0.477 280 S N 1.229 116.984 115.700 0.092 0.000 2.419 280 S HA -0.168 3.734 4.470 -0.947 0.000 0.235 280 S C 1.781 176.470 174.600 0.149 0.000 1.019 280 S CA 1.385 59.679 58.200 0.158 0.000 0.982 280 S CB -0.816 62.394 63.200 0.016 0.000 0.789 280 S HN 0.915 nan 8.310 nan 0.000 0.490 281 S N 2.550 118.310 115.700 0.100 0.000 2.349 281 S HA -0.181 3.721 4.470 -0.947 0.000 0.216 281 S C 1.866 176.537 174.600 0.119 0.000 1.033 281 S CA 1.237 59.483 58.200 0.076 0.000 1.021 281 S CB -0.733 62.486 63.200 0.033 0.000 0.968 281 S HN 0.562 nan 8.310 nan 0.000 0.426 282 Q N -0.244 119.637 119.800 0.136 0.000 2.592 282 Q HA -0.196 3.576 4.340 -0.947 0.000 0.219 282 Q C 1.506 177.577 176.000 0.120 0.000 0.984 282 Q CA 0.856 56.734 55.803 0.125 0.000 0.911 282 Q CB -0.394 28.425 28.738 0.136 0.000 0.962 282 Q HN 0.662 nan 8.270 nan 0.000 0.532 283 Y N 1.725 122.002 120.300 -0.038 0.000 2.181 283 Y HA -0.289 3.692 4.550 -0.949 0.000 0.288 283 Y C 2.041 177.840 175.900 -0.169 0.000 1.146 283 Y CA 2.044 59.992 58.100 -0.254 0.000 1.164 283 Y CB 0.042 38.266 38.460 -0.393 0.000 0.982 283 Y HN 0.068 nan 8.280 nan 0.000 0.515 284 K N -0.628 119.700 120.400 -0.120 0.000 2.288 284 K HA -0.135 3.616 4.320 -0.947 0.000 0.201 284 K C 1.654 178.139 176.600 -0.192 0.000 1.048 284 K CA 1.401 57.570 56.287 -0.197 0.000 0.956 284 K CB -0.256 32.225 32.500 -0.032 0.000 0.746 284 K HN 0.311 nan 8.250 nan 0.000 0.461 285 Q N 1.096 120.818 119.800 -0.131 0.000 2.119 285 Q HA -0.050 3.722 4.340 -0.947 0.000 0.201 285 Q C 2.085 177.992 176.000 -0.154 0.000 0.972 285 Q CA 1.462 57.200 55.803 -0.108 0.000 0.847 285 Q CB -0.053 28.649 28.738 -0.060 0.000 0.903 285 Q HN 0.136 nan 8.270 nan 0.000 0.433 286 V N 1.465 121.251 119.914 -0.212 0.000 2.488 286 V HA -0.210 3.342 4.120 -0.947 0.000 0.246 286 V C 2.098 178.000 176.094 -0.319 0.000 1.046 286 V CA 1.860 64.019 62.300 -0.235 0.000 1.053 286 V CB -0.572 31.163 31.823 -0.146 0.000 0.679 286 V HN 0.470 nan 8.190 nan 0.000 0.458 287 K N 2.093 122.167 120.400 -0.543 0.000 2.280 287 K HA -0.188 3.564 4.320 -0.947 0.000 0.202 287 K C 1.536 177.983 176.600 -0.256 0.000 1.047 287 K CA 1.851 57.818 56.287 -0.535 0.000 0.942 287 K CB -0.450 31.529 32.500 -0.868 0.000 0.739 287 K HN 0.628 nan 8.250 nan 0.000 0.457 288 N N 1.545 120.125 118.700 -0.200 0.000 2.392 288 N HA -0.035 4.136 4.740 -0.947 0.000 0.177 288 N C 0.519 175.988 175.510 -0.068 0.000 1.066 288 N CA 0.019 53.001 53.050 -0.114 0.000 0.895 288 N CB -0.319 38.110 38.487 -0.096 0.000 0.988 288 N HN 0.160 nan 8.380 nan 0.000 0.457 289 L N 1.892 123.073 121.223 -0.070 0.000 2.615 289 L HA 0.014 3.785 4.340 -0.947 0.000 0.271 289 L C 0.839 177.748 176.870 0.064 0.000 1.183 289 L CA 0.334 55.169 54.840 -0.007 0.000 0.933 289 L CB 0.123 42.156 42.059 -0.043 0.000 1.199 289 L HN 0.023 nan 8.230 nan 0.000 0.487 290 K N 2.094 122.528 120.400 0.056 0.000 2.219 290 K HA 0.242 3.994 4.320 -0.947 0.000 0.258 290 K C 1.128 177.778 176.600 0.084 0.000 1.008 290 K CA 0.578 56.892 56.287 0.046 0.000 0.928 290 K CB 0.634 33.142 32.500 0.013 0.000 0.983 290 K HN 0.819 nan 8.250 nan 0.000 0.484 291 G N 0.625 109.418 108.800 -0.011 0.000 2.179 291 G HA2 -0.274 3.118 3.960 -0.947 0.000 0.260 291 G HA3 -0.274 3.118 3.960 -0.947 0.000 0.260 291 G C -0.594 174.092 174.900 -0.356 0.000 0.977 291 G CA 0.129 45.141 45.100 -0.147 0.000 0.641 291 G HN 0.520 nan 8.290 nan 0.000 0.533 292 Y N -0.374 119.871 120.300 -0.092 0.000 2.485 292 Y HA 0.667 4.647 4.550 -0.950 0.000 0.345 292 Y C 0.268 176.060 175.900 -0.181 0.000 0.998 292 Y CA -1.074 56.951 58.100 -0.125 0.000 1.059 292 Y CB 1.951 40.367 38.460 -0.073 0.000 1.234 292 Y HN 0.081 nan 8.280 nan 0.000 0.461 293 K N 1.580 121.887 120.400 -0.155 0.000 2.235 293 K HA 0.601 4.352 4.320 -0.947 0.000 0.266 293 K C -1.784 174.801 176.600 -0.026 0.000 0.980 293 K CA -0.437 55.726 56.287 -0.208 0.000 0.849 293 K CB 1.041 33.160 32.500 -0.635 0.000 1.098 293 K HN 0.470 nan 8.250 nan 0.000 0.445 294 V N 6.702 126.659 119.914 0.072 0.000 2.364 294 V HA 0.318 3.870 4.120 -0.947 0.000 0.272 294 V C 0.022 176.263 176.094 0.245 0.000 1.036 294 V CA -0.673 61.737 62.300 0.183 0.000 0.880 294 V CB 0.480 32.455 31.823 0.254 0.000 0.991 294 V HN 0.691 nan 8.190 nan 0.000 0.460 295 L N 4.115 125.434 121.223 0.161 0.000 2.375 295 L HA 0.904 4.675 4.340 -0.947 0.000 0.268 295 L C 0.727 177.589 176.870 -0.015 0.000 1.058 295 L CA -0.259 54.654 54.840 0.121 0.000 0.803 295 L CB 1.536 43.624 42.059 0.048 0.000 1.212 295 L HN 0.727 nan 8.230 nan 0.000 0.451 296 G N 0.471 109.228 108.800 -0.072 0.000 2.660 296 G HA2 0.602 3.994 3.960 -0.947 0.000 0.294 296 G HA3 0.602 3.994 3.960 -0.947 0.000 0.294 296 G C -1.970 172.821 174.900 -0.182 0.000 1.369 296 G CA -0.203 44.685 45.100 -0.354 0.000 0.912 296 G HN 0.399 nan 8.290 nan 0.000 0.479 297 Q N -0.389 119.285 119.800 -0.210 0.000 2.426 297 Q HA 0.403 4.175 4.340 -0.947 0.000 0.278 297 Q C -0.941 175.005 176.000 -0.091 0.000 1.007 297 Q CA -0.660 55.039 55.803 -0.173 0.000 0.850 297 Q CB 1.861 30.421 28.738 -0.297 0.000 1.427 297 Q HN 0.672 nan 8.270 nan 0.000 0.391 298 Q N 1.716 121.503 119.800 -0.021 0.000 2.313 298 Q HA 0.634 4.405 4.340 -0.947 0.000 0.266 298 Q C -0.851 175.238 176.000 0.148 0.000 0.989 298 Q CA 0.110 55.946 55.803 0.055 0.000 0.890 298 Q CB 0.862 29.627 28.738 0.044 0.000 1.200 298 Q HN 0.736 nan 8.270 nan 0.000 0.396 299 A N 4.443 127.343 122.820 0.133 0.000 2.304 299 A HA 0.346 4.097 4.320 -0.947 0.000 0.271 299 A C -0.124 177.596 177.584 0.227 0.000 1.091 299 A CA -0.547 51.597 52.037 0.178 0.000 0.812 299 A CB 0.504 19.556 19.000 0.087 0.000 1.056 299 A HN 0.845 nan 8.150 nan 0.000 0.489 300 M N 2.287 122.016 119.600 0.214 0.000 3.237 300 M HA 0.221 4.133 4.480 -0.947 0.000 0.266 300 M C -0.976 175.517 176.300 0.321 0.000 1.456 300 M CA 0.754 56.170 55.300 0.193 0.000 1.593 300 M CB -1.707 30.940 32.600 0.079 0.000 1.129 300 M HN 0.629 nan 8.290 nan 0.000 0.547 301 Y N 1.972 122.398 120.300 0.209 0.000 2.521 301 Y HA 0.615 4.595 4.550 -0.949 0.000 0.332 301 Y C -2.186 173.923 175.900 0.349 0.000 1.121 301 Y CA -1.423 56.827 58.100 0.251 0.000 1.037 301 Y CB 1.431 40.008 38.460 0.194 0.000 1.330 301 Y HN 0.418 nan 8.280 nan 0.000 0.452 302 I N 4.966 125.448 120.570 -0.146 0.000 2.656 302 I HA 0.665 4.266 4.170 -0.947 0.000 0.292 302 I C -1.438 174.445 176.117 -0.389 0.000 1.144 302 I CA -0.206 61.096 61.300 0.004 0.000 1.038 302 I CB 2.212 40.375 38.000 0.272 0.000 1.244 302 I HN 0.624 nan 8.210 nan 0.000 0.420 303 S N 7.669 123.266 115.700 -0.171 0.000 2.532 303 S HA 0.975 4.877 4.470 -0.947 0.000 0.301 303 S C -0.786 173.835 174.600 0.035 0.000 1.083 303 S CA -0.633 57.528 58.200 -0.065 0.000 1.025 303 S CB 1.580 64.820 63.200 0.065 0.000 1.056 303 S HN 0.944 nan 8.310 nan 0.000 0.494 304 L N -0.718 120.552 121.223 0.078 0.000 2.568 304 L HA 0.687 4.458 4.340 -0.947 0.000 0.257 304 L C -0.976 175.905 176.870 0.018 0.000 1.024 304 L CA -1.189 53.653 54.840 0.004 0.000 0.854 304 L CB 2.051 44.083 42.059 -0.046 0.000 1.460 304 L HN 0.807 nan 8.230 nan 0.000 0.409 305 M N 1.682 121.209 119.600 -0.122 0.000 2.238 305 M HA 0.536 4.448 4.480 -0.947 0.000 0.350 305 M C -1.842 174.304 176.300 -0.256 0.000 1.138 305 M CA -0.276 54.963 55.300 -0.101 0.000 1.040 305 M CB 1.044 33.514 32.600 -0.216 0.000 1.639 305 M HN 0.634 nan 8.290 nan 0.000 0.451 306 Y N 3.301 123.601 120.300 -0.001 0.000 2.387 306 Y HA 0.475 4.456 4.550 -0.948 0.000 0.336 306 Y C -1.169 174.784 175.900 0.088 0.000 1.067 306 Y CA -0.441 57.728 58.100 0.116 0.000 1.114 306 Y CB 1.310 40.036 38.460 0.443 0.000 1.208 306 Y HN 0.476 nan 8.280 nan 0.000 0.458 307 Y N 1.063 121.625 120.300 0.436 0.000 2.360 307 Y HA 0.251 4.234 4.550 -0.946 0.000 0.337 307 Y C 0.012 176.017 175.900 0.175 0.000 1.039 307 Y CA -1.784 56.470 58.100 0.256 0.000 1.109 307 Y CB 1.048 39.570 38.460 0.104 0.000 1.201 307 Y HN 0.506 nan 8.280 nan 0.000 0.458 308 N N 3.341 122.023 118.700 -0.028 0.000 2.415 308 N HA 0.244 4.416 4.740 -0.947 0.000 0.246 308 N C -0.458 174.977 175.510 -0.125 0.000 1.078 308 N CA 0.187 52.980 53.050 -0.430 0.000 0.942 308 N CB 0.271 37.892 38.487 -1.443 0.000 1.140 308 N HN 0.765 nan 8.380 nan 0.000 0.501 309 L N 1.760 123.018 121.223 0.058 0.000 3.016 309 L HA 0.497 4.269 4.340 -0.947 0.000 0.267 309 L C 1.022 177.967 176.870 0.126 0.000 1.182 309 L CA -0.262 54.639 54.840 0.100 0.000 0.997 309 L CB 0.295 42.452 42.059 0.162 0.000 1.354 309 L HN 0.634 nan 8.230 nan 0.000 0.569 310 G N -0.893 108.021 108.800 0.191 0.000 2.435 310 G HA2 0.241 3.632 3.960 -0.947 0.000 0.228 310 G HA3 0.241 3.632 3.960 -0.947 0.000 0.228 310 G C -1.763 173.222 174.900 0.142 0.000 1.198 310 G CA -0.360 44.845 45.100 0.175 0.000 0.948 310 G HN 0.105 nan 8.290 nan 0.000 0.487 311 H N -1.432 117.520 119.070 -0.197 0.000 2.977 311 H HA 0.661 4.648 4.556 -0.947 0.000 0.350 311 H C -2.143 172.877 175.328 -0.514 0.000 1.238 311 H CA -0.853 54.874 56.048 -0.534 0.000 1.124 311 H CB 1.844 31.470 29.762 -0.227 0.000 1.866 311 H HN 0.572 nan 8.280 nan 0.000 0.550 312 Y N 1.514 121.469 120.300 -0.574 0.000 2.331 312 Y HA 0.204 4.186 4.550 -0.946 0.000 0.338 312 Y C -0.536 175.310 175.900 -0.091 0.000 0.992 312 Y CA -0.772 57.151 58.100 -0.296 0.000 1.121 312 Y CB 1.263 39.664 38.460 -0.099 0.000 1.184 312 Y HN 0.704 nan 8.280 nan 0.000 0.469 313 D N 4.974 125.001 120.400 -0.621 0.000 2.411 313 D HA 0.281 4.353 4.640 -0.947 0.000 0.225 313 D C 0.550 176.510 176.300 -0.567 0.000 1.156 313 D CA 0.271 54.049 54.000 -0.370 0.000 0.874 313 D CB 1.279 41.917 40.800 -0.269 0.000 1.034 313 D HN 0.759 nan 8.370 nan 0.000 0.502 314 A N 5.014 127.681 122.820 -0.255 0.000 1.898 314 A HA -0.149 3.603 4.320 -0.947 0.000 0.216 314 A C 2.019 179.548 177.584 -0.091 0.000 1.181 314 A CA 1.218 53.199 52.037 -0.093 0.000 0.620 314 A CB -0.335 18.719 19.000 0.090 0.000 0.819 314 A HN 0.601 nan 8.150 nan 0.000 0.442 315 K N -0.305 120.046 120.400 -0.080 0.000 2.063 315 K HA -0.147 3.605 4.320 -0.947 0.000 0.208 315 K C 0.762 177.315 176.600 -0.077 0.000 1.048 315 K CA 1.625 57.878 56.287 -0.056 0.000 0.928 315 K CB -0.143 32.331 32.500 -0.043 0.000 0.713 315 K HN 0.443 nan 8.250 nan 0.000 0.442 316 N N 0.515 119.139 118.700 -0.128 0.000 2.270 316 N HA 0.015 4.186 4.740 -0.947 0.000 0.198 316 N C -0.709 174.703 175.510 -0.164 0.000 1.117 316 N CA 0.258 53.233 53.050 -0.125 0.000 0.845 316 N CB 0.868 39.284 38.487 -0.117 0.000 0.980 316 N HN -0.004 nan 8.380 nan 0.000 0.486 317 S N 0.932 116.498 115.700 -0.223 0.000 3.550 317 S HA -0.211 3.691 4.470 -0.947 0.000 0.372 317 S C -0.268 174.188 174.600 -0.240 0.000 0.966 317 S CA 0.407 58.492 58.200 -0.192 0.000 1.229 317 S CB -1.185 62.009 63.200 -0.011 0.000 0.917 317 S HN 0.466 nan 8.310 nan 0.000 0.496 318 I N 1.046 121.295 120.570 -0.535 0.000 2.775 318 I HA 0.353 3.955 4.170 -0.947 0.000 0.295 318 I C -0.775 175.106 176.117 -0.393 0.000 1.287 318 I CA -0.527 60.585 61.300 -0.313 0.000 1.029 318 I CB 1.547 39.427 38.000 -0.199 0.000 1.282 318 I HN 0.145 nan 8.210 nan 0.000 0.426 319 N N 5.383 124.018 118.700 -0.108 0.000 2.497 319 N HA 0.398 4.570 4.740 -0.947 0.000 0.271 319 N C -1.178 174.216 175.510 -0.194 0.000 1.142 319 N CA -0.138 52.869 53.050 -0.072 0.000 0.965 319 N CB 1.840 40.368 38.487 0.067 0.000 1.077 319 N HN 0.254 nan 8.380 nan 0.000 0.462 320 V N 2.339 122.050 119.914 -0.338 0.000 2.409 320 V HA 0.176 3.728 4.120 -0.947 0.000 0.291 320 V C 0.486 176.498 176.094 -0.136 0.000 1.020 320 V CA -0.691 61.442 62.300 -0.278 0.000 0.848 320 V CB 1.692 33.263 31.823 -0.420 0.000 0.990 320 V HN 0.604 nan 8.190 nan 0.000 0.430 321 Q N 3.247 123.029 119.800 -0.031 0.000 3.207 321 Q HA 0.115 3.887 4.340 -0.947 0.000 0.335 321 Q C 0.025 176.057 176.000 0.054 0.000 1.374 321 Q CA -0.207 55.617 55.803 0.034 0.000 1.023 321 Q CB 0.142 28.895 28.738 0.024 0.000 1.576 321 Q HN 0.942 nan 8.270 nan 0.000 0.515 322 D N -0.125 120.323 120.400 0.081 0.000 2.559 322 D HA 0.039 4.111 4.640 -0.947 0.000 0.234 322 D C -0.028 176.319 176.300 0.079 0.000 1.226 322 D CA -0.395 53.657 54.000 0.088 0.000 0.830 322 D CB 0.062 40.932 40.800 0.117 0.000 1.028 322 D HN 0.174 nan 8.370 nan 0.000 0.492 323 R N 1.084 121.626 120.500 0.070 0.000 2.357 323 R HA 0.232 4.004 4.340 -0.947 0.000 0.296 323 R C -0.194 176.120 176.300 0.024 0.000 1.052 323 R CA -0.566 55.556 56.100 0.037 0.000 0.988 323 R CB 0.756 31.067 30.300 0.018 0.000 1.025 323 R HN -0.151 nan 8.270 nan 0.000 0.469 324 K N 2.707 123.115 120.400 0.015 0.000 2.378 324 K HA 0.080 3.832 4.320 -0.947 0.000 0.288 324 K C -0.437 176.168 176.600 0.008 0.000 1.057 324 K CA 0.354 56.652 56.287 0.018 0.000 0.971 324 K CB 1.124 33.634 32.500 0.017 0.000 0.975 324 K HN 0.594 nan 8.250 nan 0.000 0.475 325 T N 2.156 116.719 114.554 0.015 0.000 3.003 325 T HA 0.206 3.988 4.350 -0.947 0.000 0.354 325 T C -2.467 172.240 174.700 0.013 0.000 1.651 325 T CA -1.307 60.789 62.100 -0.006 0.000 1.103 325 T CB 1.261 70.097 68.868 -0.053 0.000 1.450 325 T HN 0.165 nan 8.240 nan 0.000 0.484 326 P HA 0.110 nan 4.420 nan 0.000 0.223 326 P C 1.477 178.722 177.300 -0.091 0.000 1.144 326 P CA 0.691 63.807 63.100 0.027 0.000 0.783 326 P CB 0.023 31.624 31.700 -0.165 0.000 0.771 327 L N -0.891 120.233 121.223 -0.165 0.000 2.549 327 L HA -0.128 3.644 4.340 -0.947 0.000 0.229 327 L C 2.157 178.964 176.870 -0.106 0.000 1.158 327 L CA 0.755 55.451 54.840 -0.240 0.000 0.842 327 L CB -0.707 41.166 42.059 -0.311 0.000 0.952 327 L HN -0.003 nan 8.230 nan 0.000 0.452 328 Q N -0.083 119.707 119.800 -0.016 0.000 2.364 328 Q HA -0.046 3.726 4.340 -0.947 0.000 0.207 328 Q C -0.038 175.991 176.000 0.048 0.000 0.970 328 Q CA 0.801 56.632 55.803 0.046 0.000 0.888 328 Q CB -0.216 28.559 28.738 0.061 0.000 0.951 328 Q HN 0.488 nan 8.270 nan 0.000 0.469 329 D N 0.641 121.053 120.400 0.021 0.000 2.280 329 D HA 0.009 4.081 4.640 -0.947 0.000 0.243 329 D C 0.920 177.204 176.300 -0.027 0.000 1.129 329 D CA -0.066 53.953 54.000 0.032 0.000 0.848 329 D CB 1.305 42.162 40.800 0.095 0.000 1.107 329 D HN 0.087 nan 8.370 nan 0.000 0.471 330 Q N 2.675 122.463 119.800 -0.019 0.000 2.135 330 Q HA -0.237 3.535 4.340 -0.947 0.000 0.204 330 Q C 0.865 176.837 176.000 -0.047 0.000 0.981 330 Q CA 1.501 57.266 55.803 -0.063 0.000 0.856 330 Q CB 0.176 28.878 28.738 -0.060 0.000 0.902 330 Q HN 0.289 nan 8.270 nan 0.000 0.425 331 N N -0.423 118.277 118.700 -0.001 0.000 2.104 331 N HA -0.141 4.031 4.740 -0.947 0.000 0.190 331 N C 1.634 177.137 175.510 -0.012 0.000 1.024 331 N CA 1.430 54.496 53.050 0.028 0.000 0.853 331 N CB -0.231 38.296 38.487 0.067 0.000 1.008 331 N HN 0.086 nan 8.380 nan 0.000 0.424 332 V N 1.021 120.889 119.914 -0.077 0.000 2.307 332 V HA -0.152 3.400 4.120 -0.947 0.000 0.245 332 V C 2.213 178.134 176.094 -0.288 0.000 1.045 332 V CA 1.430 63.610 62.300 -0.200 0.000 1.024 332 V CB -0.356 31.293 31.823 -0.291 0.000 0.651 332 V HN 0.281 nan 8.190 nan 0.000 0.449 333 R N -0.147 120.149 120.500 -0.339 0.000 2.091 333 R HA -0.209 3.563 4.340 -0.947 0.000 0.238 333 R C 2.411 178.587 176.300 -0.206 0.000 1.136 333 R CA 1.793 57.611 56.100 -0.469 0.000 0.959 333 R CB -0.386 29.695 30.300 -0.366 0.000 0.856 333 R HN 0.614 nan 8.270 nan 0.000 0.437 334 Q N 0.058 119.800 119.800 -0.097 0.000 2.079 334 Q HA -0.091 3.680 4.340 -0.947 0.000 0.200 334 Q C 2.246 178.320 176.000 0.124 0.000 0.974 334 Q CA 1.457 57.273 55.803 0.021 0.000 0.840 334 Q CB -0.149 28.715 28.738 0.210 0.000 0.898 334 Q HN 0.363 nan 8.270 nan 0.000 0.430 335 A N 1.009 123.902 122.820 0.122 0.000 1.902 335 A HA -0.183 3.569 4.320 -0.947 0.000 0.217 335 A C 2.034 179.714 177.584 0.160 0.000 1.181 335 A CA 1.226 53.372 52.037 0.182 0.000 0.623 335 A CB -0.639 18.412 19.000 0.084 0.000 0.818 335 A HN 0.314 nan 8.150 nan 0.000 0.443 336 I N -0.386 120.199 120.570 0.025 0.000 2.394 336 I HA -0.171 3.431 4.170 -0.947 0.000 0.251 336 I C 2.587 178.847 176.117 0.238 0.000 1.136 336 I CA 0.933 62.273 61.300 0.067 0.000 1.425 336 I CB -0.399 37.448 38.000 -0.255 0.000 1.079 336 I HN 0.408 nan 8.210 nan 0.000 0.425 337 G N -0.088 108.705 108.800 -0.011 0.000 2.402 337 G HA2 -0.246 3.146 3.960 -0.947 0.000 0.216 337 G HA3 -0.246 3.146 3.960 -0.947 0.000 0.216 337 G C 1.391 176.306 174.900 0.025 0.000 1.162 337 G CA 0.447 45.398 45.100 -0.249 0.000 0.777 337 G HN 0.264 nan 8.290 nan 0.000 0.539 338 Y N 1.234 121.696 120.300 0.270 0.000 2.421 338 Y HA 0.174 4.156 4.550 -0.947 0.000 0.292 338 Y C 2.935 178.928 175.900 0.155 0.000 1.136 338 Y CA 0.295 58.550 58.100 0.258 0.000 1.255 338 Y CB -0.164 38.418 38.460 0.203 0.000 0.991 338 Y HN 0.270 nan 8.280 nan 0.000 0.552 339 A N 0.015 123.017 122.820 0.305 0.000 2.016 339 A HA -0.020 3.732 4.320 -0.947 0.000 0.217 339 A C 1.389 179.007 177.584 0.058 0.000 1.162 339 A CA 0.063 52.229 52.037 0.215 0.000 0.662 339 A CB -0.290 18.908 19.000 0.330 0.000 0.812 339 A HN 0.179 nan 8.150 nan 0.000 0.450 340 R N 1.251 121.752 120.500 0.001 0.000 2.734 340 R HA 0.069 3.841 4.340 -0.947 0.000 0.266 340 R C -0.534 175.770 176.300 0.006 0.000 1.044 340 R CA 0.332 56.333 56.100 -0.165 0.000 1.128 340 R CB 0.125 30.170 30.300 -0.424 0.000 1.010 340 R HN 0.574 nan 8.270 nan 0.000 0.461 341 N N 1.662 120.425 118.700 0.106 0.000 2.908 341 N HA 0.028 4.200 4.740 -0.947 0.000 0.316 341 N C 0.520 176.141 175.510 0.185 0.000 1.619 341 N CA -0.195 52.927 53.050 0.120 0.000 1.045 341 N CB 0.664 39.197 38.487 0.077 0.000 1.357 341 N HN 0.219 nan 8.380 nan 0.000 0.501 342 V N 0.530 120.540 119.914 0.160 0.000 2.343 342 V HA -0.235 3.317 4.120 -0.947 0.000 0.247 342 V C 2.593 178.752 176.094 0.109 0.000 1.051 342 V CA 2.267 64.673 62.300 0.177 0.000 1.036 342 V CB -0.886 30.988 31.823 0.086 0.000 0.654 342 V HN 0.597 nan 8.190 nan 0.000 0.451 343 A N -0.345 122.515 122.820 0.066 0.000 1.902 343 A HA -0.288 3.464 4.320 -0.947 0.000 0.217 343 A C 2.310 179.902 177.584 0.012 0.000 1.181 343 A CA 2.103 54.162 52.037 0.036 0.000 0.623 343 A CB -0.506 18.511 19.000 0.027 0.000 0.818 343 A HN 0.638 nan 8.150 nan 0.000 0.443 344 E N -0.321 119.884 120.200 0.009 0.000 2.072 344 E HA -0.116 3.666 4.350 -0.947 0.000 0.191 344 E C 1.881 178.429 176.600 -0.086 0.000 0.985 344 E CA 1.275 57.651 56.400 -0.040 0.000 0.801 344 E CB -0.124 29.559 29.700 -0.029 0.000 0.750 344 E HN 0.285 nan 8.360 nan 0.000 0.452 345 V N 1.949 121.856 119.914 -0.012 0.000 2.332 345 V HA -0.270 3.282 4.120 -0.947 0.000 0.248 345 V C 1.792 177.892 176.094 0.010 0.000 1.055 345 V CA 2.203 64.514 62.300 0.020 0.000 1.038 345 V CB -0.502 31.386 31.823 0.108 0.000 0.651 345 V HN 0.318 nan 8.190 nan 0.000 0.450 346 D N -0.044 120.376 120.400 0.032 0.000 2.144 346 D HA -0.124 3.948 4.640 -0.947 0.000 0.199 346 D C 2.060 178.332 176.300 -0.047 0.000 0.984 346 D CA 1.041 55.057 54.000 0.026 0.000 0.834 346 D CB -0.412 40.412 40.800 0.040 0.000 0.955 346 D HN 0.400 nan 8.370 nan 0.000 0.465 347 N N 0.868 119.514 118.700 -0.089 0.000 2.084 347 N HA -0.103 4.068 4.740 -0.947 0.000 0.190 347 N C 1.649 177.028 175.510 -0.219 0.000 1.030 347 N CA 0.764 53.740 53.050 -0.123 0.000 0.849 347 N CB -0.126 38.295 38.487 -0.111 0.000 1.012 347 N HN 0.264 nan 8.380 nan 0.000 0.423 348 K N -0.685 119.471 120.400 -0.407 0.000 2.097 348 K HA -0.030 3.722 4.320 -0.947 0.000 0.205 348 K C 0.828 176.978 176.600 -0.750 0.000 1.050 348 K CA 1.076 56.906 56.287 -0.763 0.000 0.938 348 K CB 0.011 31.673 32.500 -1.397 0.000 0.718 348 K HN 0.167 nan 8.250 nan 0.000 0.442 349 F N -1.344 118.586 119.950 -0.033 0.000 2.784 349 F HA 0.068 4.026 4.527 -0.948 0.000 0.316 349 F C 2.073 177.854 175.800 -0.032 0.000 1.026 349 F CA -0.057 57.922 58.000 -0.034 0.000 1.188 349 F CB -0.111 38.862 39.000 -0.046 0.000 0.999 349 F HN -0.123 nan 8.300 nan 0.000 0.605 350 S N -0.511 115.248 115.700 0.099 0.000 2.562 350 S HA -0.029 3.873 4.470 -0.947 0.000 0.221 350 S C 0.666 175.250 174.600 -0.027 0.000 0.975 350 S CA 0.328 58.556 58.200 0.047 0.000 0.918 350 S CB -0.649 62.571 63.200 0.032 0.000 0.772 350 S HN 0.385 nan 8.310 nan 0.000 0.531 351 N N 1.159 119.840 118.700 -0.031 0.000 2.714 351 N HA -0.187 3.985 4.740 -0.947 0.000 0.250 351 N C 0.855 176.228 175.510 -0.228 0.000 1.117 351 N CA 1.053 54.043 53.050 -0.100 0.000 0.719 351 N CB -1.849 36.578 38.487 -0.100 0.000 1.081 351 N HN 1.043 nan 8.380 nan 0.000 0.557 352 G N -0.966 107.767 108.800 -0.112 0.000 2.189 352 G HA2 -0.343 3.049 3.960 -0.947 0.000 0.267 352 G HA3 -0.343 3.049 3.960 -0.947 0.000 0.267 352 G C 0.805 175.710 174.900 0.009 0.000 0.975 352 G CA 0.633 45.696 45.100 -0.062 0.000 0.644 352 G HN 0.457 nan 8.290 nan 0.000 0.537 353 L N 0.435 121.622 121.223 -0.061 0.000 2.558 353 L HA 0.309 4.081 4.340 -0.947 0.000 0.225 353 L C 0.892 177.753 176.870 -0.016 0.000 1.128 353 L CA 0.554 55.360 54.840 -0.056 0.000 0.868 353 L CB 0.330 42.318 42.059 -0.119 0.000 1.006 353 L HN 0.201 nan 8.230 nan 0.000 0.454 354 S N -0.282 115.428 115.700 0.018 0.000 2.500 354 S HA 0.587 4.489 4.470 -0.947 0.000 0.301 354 S C -0.071 174.577 174.600 0.080 0.000 1.092 354 S CA -0.615 57.618 58.200 0.056 0.000 1.030 354 S CB 2.016 65.252 63.200 0.061 0.000 1.031 354 S HN 0.243 nan 8.310 nan 0.000 0.483 355 T N 0.319 114.944 114.554 0.119 0.000 2.916 355 T HA 0.638 4.420 4.350 -0.947 0.000 0.298 355 T C -3.380 171.363 174.700 0.071 0.000 1.031 355 T CA -2.675 59.495 62.100 0.117 0.000 0.993 355 T CB 1.519 70.487 68.868 0.167 0.000 1.045 355 T HN 0.154 nan 8.240 nan 0.000 0.454 356 P HA 0.382 nan 4.420 nan 0.000 0.268 356 P C -0.551 176.631 177.300 -0.196 0.000 1.204 356 P CA -0.191 62.878 63.100 -0.052 0.000 0.768 356 P CB 0.251 31.948 31.700 -0.004 0.000 0.842 357 A N 3.372 125.913 122.820 -0.465 0.000 2.331 357 A HA 0.215 3.966 4.320 -0.947 0.000 0.283 357 A C 1.258 178.657 177.584 -0.309 0.000 1.142 357 A CA -0.451 51.028 52.037 -0.931 0.000 0.812 357 A CB -0.000 18.312 19.000 -1.146 0.000 1.074 357 A HN 0.654 nan 8.150 nan 0.000 0.497 358 N N 0.751 119.400 118.700 -0.085 0.000 2.392 358 N HA 0.009 4.180 4.740 -0.947 0.000 0.177 358 N C 0.179 175.720 175.510 0.051 0.000 1.066 358 N CA 0.875 53.944 53.050 0.031 0.000 0.895 358 N CB 0.063 38.612 38.487 0.103 0.000 0.988 358 N HN 0.787 nan 8.380 nan 0.000 0.457 359 S N -1.335 114.431 115.700 0.110 0.000 2.636 359 S HA 0.394 4.296 4.470 -0.947 0.000 0.268 359 S C 0.083 174.799 174.600 0.194 0.000 1.159 359 S CA -0.876 57.398 58.200 0.123 0.000 0.815 359 S CB 0.309 63.608 63.200 0.165 0.000 1.130 359 S HN -0.045 nan 8.310 nan 0.000 0.471 360 L N 0.236 121.542 121.223 0.137 0.000 2.492 360 L HA 0.423 4.195 4.340 -0.947 0.000 0.223 360 L C -0.124 176.939 176.870 0.322 0.000 1.132 360 L CA 0.623 55.578 54.840 0.190 0.000 0.850 360 L CB -0.232 41.873 42.059 0.077 0.000 0.966 360 L HN 0.502 nan 8.230 nan 0.000 0.454 361 I N 1.231 121.995 120.570 0.323 0.000 2.406 361 I HA 0.293 3.895 4.170 -0.947 0.000 0.290 361 I C -2.215 174.040 176.117 0.230 0.000 0.999 361 I CA -2.066 59.393 61.300 0.266 0.000 1.124 361 I CB 2.192 40.280 38.000 0.146 0.000 1.289 361 I HN -0.236 nan 8.210 nan 0.000 0.441 362 P HA 0.185 nan 4.420 nan 0.000 0.274 362 P C -2.344 174.831 177.300 -0.208 0.000 1.237 362 P CA -1.568 61.235 63.100 -0.495 0.000 0.793 362 P CB 0.298 31.754 31.700 -0.408 0.000 0.977 363 P HA 0.047 nan 4.420 nan 0.000 0.242 363 P C 1.670 178.902 177.300 -0.114 0.000 1.197 363 P CA 0.436 63.459 63.100 -0.130 0.000 0.765 363 P CB -0.140 31.496 31.700 -0.106 0.000 0.936 364 I N -0.722 119.740 120.570 -0.180 0.000 2.182 364 I HA -0.256 3.346 4.170 -0.947 0.000 0.248 364 I C 0.869 176.778 176.117 -0.346 0.000 1.073 364 I CA 1.608 62.745 61.300 -0.273 0.000 1.335 364 I CB -0.708 36.998 38.000 -0.490 0.000 1.031 364 I HN -0.127 nan 8.210 nan 0.000 0.420 365 F N 1.934 121.857 119.950 -0.045 0.000 2.573 365 F HA 0.152 4.110 4.527 -0.948 0.000 0.349 365 F C 1.404 177.110 175.800 -0.156 0.000 1.213 365 F CA -0.318 57.633 58.000 -0.082 0.000 1.300 365 F CB -0.156 38.868 39.000 0.040 0.000 1.661 365 F HN -0.166 nan 8.300 nan 0.000 0.616 366 K N 0.919 121.282 120.400 -0.062 0.000 2.209 366 K HA -0.156 3.596 4.320 -0.947 0.000 0.204 366 K C 2.027 178.559 176.600 -0.114 0.000 1.048 366 K CA 0.794 57.039 56.287 -0.068 0.000 0.940 366 K CB -0.107 32.346 32.500 -0.077 0.000 0.729 366 K HN 0.553 nan 8.250 nan 0.000 0.451 367 Q N -0.606 119.027 119.800 -0.278 0.000 2.444 367 Q HA -0.038 3.734 4.340 -0.947 0.000 0.206 367 Q C 0.344 176.099 176.000 -0.408 0.000 0.948 367 Q CA 0.866 56.427 55.803 -0.404 0.000 0.946 367 Q CB 0.101 28.476 28.738 -0.606 0.000 1.027 367 Q HN 0.230 nan 8.270 nan 0.000 0.513 368 F N 0.892 120.816 119.950 -0.043 0.000 2.825 368 F HA 0.294 4.252 4.527 -0.949 0.000 0.322 368 F C 0.284 176.024 175.800 -0.101 0.000 1.127 368 F CA -0.253 57.623 58.000 -0.207 0.000 1.164 368 F CB 0.638 39.130 39.000 -0.846 0.000 1.101 368 F HN 0.013 nan 8.300 nan 0.000 0.529 369 T N -3.251 111.377 114.554 0.124 0.000 2.843 369 T HA 0.738 4.519 4.350 -0.947 0.000 0.302 369 T C -0.760 173.993 174.700 0.088 0.000 1.232 369 T CA -0.949 61.222 62.100 0.118 0.000 1.009 369 T CB 2.301 71.234 68.868 0.109 0.000 1.254 369 T HN -0.096 nan 8.240 nan 0.000 0.504 370 S N -0.433 115.321 115.700 0.090 0.000 2.533 370 S HA 0.506 4.407 4.470 -0.947 0.000 0.271 370 S C 1.000 175.644 174.600 0.073 0.000 1.143 370 S CA -0.002 58.239 58.200 0.068 0.000 0.891 370 S CB 1.629 64.865 63.200 0.060 0.000 1.105 370 S HN 1.351 nan 8.310 nan 0.000 0.468 371 S N 2.395 118.133 115.700 0.063 0.000 2.507 371 S HA -0.077 3.824 4.470 -0.947 0.000 0.235 371 S C 1.839 176.470 174.600 0.053 0.000 0.988 371 S CA 1.253 59.494 58.200 0.069 0.000 0.944 371 S CB -0.640 62.596 63.200 0.060 0.000 0.762 371 S HN 1.069 nan 8.310 nan 0.000 0.526 372 S N 0.940 116.666 115.700 0.043 0.000 2.442 372 S HA 0.035 3.937 4.470 -0.947 0.000 0.236 372 S C 0.687 175.303 174.600 0.027 0.000 1.007 372 S CA 0.255 58.473 58.200 0.030 0.000 0.965 372 S CB -0.896 62.320 63.200 0.027 0.000 0.773 372 S HN 0.346 nan 8.310 nan 0.000 0.504 373 V N 3.460 123.397 119.914 0.039 0.000 2.479 373 V HA 0.237 3.788 4.120 -0.947 0.000 0.281 373 V C 0.147 176.250 176.094 0.014 0.000 1.031 373 V CA -0.071 62.246 62.300 0.028 0.000 1.038 373 V CB 0.448 32.300 31.823 0.049 0.000 0.981 373 V HN 0.318 nan 8.190 nan 0.000 0.478 374 K N 4.141 124.529 120.400 -0.020 0.000 2.159 374 K HA 0.668 4.420 4.320 -0.947 0.000 0.266 374 K C 0.430 176.962 176.600 -0.114 0.000 0.975 374 K CA -0.149 56.109 56.287 -0.048 0.000 0.865 374 K CB 2.110 34.580 32.500 -0.050 0.000 1.087 374 K HN 0.760 nan 8.250 nan 0.000 0.446 375 G N 0.623 109.338 108.800 -0.142 0.000 3.356 375 G HA2 0.249 3.641 3.960 -0.947 0.000 0.178 375 G HA3 0.249 3.641 3.960 -0.947 0.000 0.178 375 G C -0.651 173.951 174.900 -0.495 0.000 1.130 375 G CA -0.166 44.777 45.100 -0.262 0.000 0.800 375 G HN 0.489 nan 8.290 nan 0.000 0.669 376 Y N 1.321 121.546 120.300 -0.125 0.000 2.696 376 Y HA 0.219 4.201 4.550 -0.948 0.000 0.260 376 Y C 2.210 178.079 175.900 -0.052 0.000 1.165 376 Y CA -0.114 57.901 58.100 -0.142 0.000 1.189 376 Y CB 0.780 39.074 38.460 -0.276 0.000 1.180 376 Y HN 0.484 nan 8.280 nan 0.000 0.538 377 E N 1.068 121.290 120.200 0.038 0.000 2.338 377 E HA -0.154 3.628 4.350 -0.947 0.000 0.197 377 E C 0.243 176.873 176.600 0.049 0.000 1.007 377 E CA 0.722 57.140 56.400 0.030 0.000 0.849 377 E CB 0.179 29.885 29.700 0.010 0.000 0.774 377 E HN 0.326 nan 8.360 nan 0.000 0.506 378 K N 1.445 121.886 120.400 0.069 0.000 2.307 378 K HA 0.111 3.862 4.320 -0.947 0.000 0.263 378 K C -0.458 176.217 176.600 0.125 0.000 0.973 378 K CA -0.574 55.758 56.287 0.075 0.000 0.846 378 K CB 1.458 33.988 32.500 0.050 0.000 1.100 378 K HN -0.074 nan 8.250 nan 0.000 0.438 379 Q N 2.506 122.368 119.800 0.104 0.000 2.349 379 Q HA -0.071 3.701 4.340 -0.947 0.000 0.287 379 Q C -1.012 175.054 176.000 0.110 0.000 1.044 379 Q CA 0.786 56.663 55.803 0.125 0.000 0.918 379 Q CB 0.617 29.404 28.738 0.081 0.000 1.242 379 Q HN 0.521 nan 8.270 nan 0.000 0.405 380 D N 4.403 124.885 120.400 0.137 0.000 2.472 380 D HA 0.135 4.207 4.640 -0.947 0.000 0.248 380 D C 0.290 176.621 176.300 0.052 0.000 1.271 380 D CA -0.150 53.870 54.000 0.034 0.000 0.888 380 D CB 0.358 41.088 40.800 -0.116 0.000 1.337 380 D HN 0.684 nan 8.370 nan 0.000 0.526 381 L N 1.006 122.264 121.223 0.058 0.000 2.083 381 L HA -0.101 3.670 4.340 -0.947 0.000 0.209 381 L C 1.629 178.523 176.870 0.039 0.000 1.083 381 L CA 0.934 55.815 54.840 0.067 0.000 0.752 381 L CB 0.015 42.108 42.059 0.056 0.000 0.899 381 L HN 0.228 nan 8.230 nan 0.000 0.433 382 D N 0.106 120.510 120.400 0.006 0.000 2.097 382 D HA -0.210 3.861 4.640 -0.947 0.000 0.195 382 D C 2.118 178.403 176.300 -0.026 0.000 0.989 382 D CA 1.210 55.204 54.000 -0.009 0.000 0.827 382 D CB -0.042 40.744 40.800 -0.023 0.000 0.966 382 D HN 0.220 nan 8.370 nan 0.000 0.456 383 K N 0.549 120.901 120.400 -0.080 0.000 2.026 383 K HA -0.092 3.660 4.320 -0.947 0.000 0.208 383 K C 2.035 178.616 176.600 -0.031 0.000 1.048 383 K CA 1.259 57.466 56.287 -0.133 0.000 0.929 383 K CB -0.069 32.203 32.500 -0.380 0.000 0.713 383 K HN 0.026 nan 8.250 nan 0.000 0.439 384 A N 1.788 124.635 122.820 0.044 0.000 1.883 384 A HA -0.226 3.526 4.320 -0.947 0.000 0.217 384 A C 1.895 179.536 177.584 0.095 0.000 1.186 384 A CA 1.927 54.046 52.037 0.137 0.000 0.624 384 A CB -0.788 18.328 19.000 0.195 0.000 0.822 384 A HN 0.404 nan 8.150 nan 0.000 0.444 385 N N -0.372 118.372 118.700 0.073 0.000 2.120 385 N HA -0.161 4.011 4.740 -0.947 0.000 0.188 385 N C 1.757 177.303 175.510 0.059 0.000 1.024 385 N CA 1.591 54.682 53.050 0.067 0.000 0.852 385 N CB -0.315 38.204 38.487 0.054 0.000 1.003 385 N HN 0.680 nan 8.380 nan 0.000 0.424 386 K N 1.145 121.569 120.400 0.039 0.000 2.057 386 K HA -0.041 3.710 4.320 -0.947 0.000 0.207 386 K C 2.131 178.760 176.600 0.048 0.000 1.049 386 K CA 0.686 56.992 56.287 0.032 0.000 0.931 386 K CB -0.090 32.414 32.500 0.006 0.000 0.714 386 K HN 0.071 nan 8.250 nan 0.000 0.440 387 L N 0.937 122.194 121.223 0.057 0.000 2.042 387 L HA -0.215 3.557 4.340 -0.947 0.000 0.210 387 L C 2.383 179.311 176.870 0.097 0.000 1.076 387 L CA 1.119 56.004 54.840 0.074 0.000 0.749 387 L CB -0.310 41.806 42.059 0.096 0.000 0.893 387 L HN 0.236 nan 8.230 nan 0.000 0.432 388 L N -1.028 120.258 121.223 0.106 0.000 2.072 388 L HA -0.173 3.598 4.340 -0.947 0.000 0.205 388 L C 2.265 179.249 176.870 0.189 0.000 1.079 388 L CA 0.835 55.770 54.840 0.158 0.000 0.752 388 L CB -0.604 41.530 42.059 0.125 0.000 0.906 388 L HN 0.233 nan 8.230 nan 0.000 0.436 389 D N 0.508 120.984 120.400 0.126 0.000 2.116 389 D HA -0.246 3.826 4.640 -0.947 0.000 0.193 389 D C 1.975 178.320 176.300 0.076 0.000 0.998 389 D CA 1.824 55.881 54.000 0.096 0.000 0.836 389 D CB -0.085 40.754 40.800 0.064 0.000 0.951 389 D HN 0.561 nan 8.370 nan 0.000 0.449 390 E N 0.158 120.399 120.200 0.069 0.000 2.427 390 E HA -0.133 3.649 4.350 -0.947 0.000 0.196 390 E C 0.861 177.493 176.600 0.053 0.000 1.028 390 E CA 0.766 57.195 56.400 0.048 0.000 0.864 390 E CB -0.003 29.720 29.700 0.038 0.000 0.813 390 E HN 0.072 nan 8.360 nan 0.000 0.514 391 D N -0.317 120.139 120.400 0.093 0.000 2.339 391 D HA 0.118 4.189 4.640 -0.947 0.000 0.217 391 D C 0.992 177.312 176.300 0.032 0.000 1.050 391 D CA 0.884 54.950 54.000 0.109 0.000 0.856 391 D CB 0.336 41.269 40.800 0.221 0.000 0.922 391 D HN 0.337 nan 8.370 nan 0.000 0.518 392 G N -0.066 108.736 108.800 0.004 0.000 2.141 392 G HA2 -0.272 3.120 3.960 -0.947 0.000 0.242 392 G HA3 -0.272 3.120 3.960 -0.947 0.000 0.242 392 G C -0.217 174.563 174.900 -0.201 0.000 0.982 392 G CA -0.196 44.837 45.100 -0.111 0.000 0.662 392 G HN 0.247 nan 8.290 nan 0.000 0.527 393 W N 1.582 122.888 121.300 0.010 0.000 2.433 393 W HA 0.601 4.693 4.660 -0.947 0.000 0.331 393 W C 0.759 177.292 176.519 0.023 0.000 1.110 393 W CA -0.508 56.846 57.345 0.015 0.000 1.450 393 W CB 0.704 30.171 29.460 0.012 0.000 1.348 393 W HN 0.099 nan 8.180 nan 0.000 0.415 394 K N 3.049 123.548 120.400 0.166 0.000 2.159 394 K HA 0.374 4.126 4.320 -0.947 0.000 0.266 394 K C -0.603 176.074 176.600 0.129 0.000 0.975 394 K CA -1.096 55.258 56.287 0.111 0.000 0.865 394 K CB 1.007 33.533 32.500 0.042 0.000 1.087 394 K HN 0.276 nan 8.250 nan 0.000 0.446 395 L N 4.412 125.698 121.223 0.104 0.000 2.477 395 L HA 0.078 3.850 4.340 -0.947 0.000 0.272 395 L C -0.172 176.741 176.870 0.072 0.000 1.157 395 L CA 0.703 55.598 54.840 0.092 0.000 0.889 395 L CB -0.040 42.056 42.059 0.062 0.000 1.158 395 L HN 0.643 nan 8.230 nan 0.000 0.473 396 N N 3.549 122.301 118.700 0.086 0.000 2.444 396 N HA 0.058 4.230 4.740 -0.947 0.000 0.271 396 N C 0.874 176.409 175.510 0.042 0.000 1.069 396 N CA -0.406 52.686 53.050 0.070 0.000 0.965 396 N CB 0.730 39.276 38.487 0.097 0.000 1.092 396 N HN 0.689 nan 8.380 nan 0.000 0.476 397 K N 1.688 122.106 120.400 0.031 0.000 2.025 397 K HA -0.132 3.620 4.320 -0.947 0.000 0.207 397 K C 1.724 178.333 176.600 0.014 0.000 1.049 397 K CA 1.088 57.385 56.287 0.016 0.000 0.933 397 K CB -0.217 32.293 32.500 0.017 0.000 0.714 397 K HN 0.538 nan 8.250 nan 0.000 0.438 398 S N -0.240 115.476 115.700 0.027 0.000 2.442 398 S HA -0.104 3.798 4.470 -0.947 0.000 0.236 398 S C 1.722 176.345 174.600 0.038 0.000 1.007 398 S CA 1.991 60.210 58.200 0.031 0.000 0.965 398 S CB -0.163 63.060 63.200 0.039 0.000 0.773 398 S HN 0.634 nan 8.310 nan 0.000 0.504 399 T N -4.121 110.461 114.554 0.047 0.000 2.999 399 T HA 0.432 4.214 4.350 -0.947 0.000 0.247 399 T C 1.627 176.286 174.700 -0.069 0.000 1.012 399 T CA 1.048 63.195 62.100 0.079 0.000 1.048 399 T CB -0.176 68.809 68.868 0.196 0.000 1.020 399 T HN 0.891 nan 8.240 nan 0.000 0.478 400 G N 0.788 109.516 108.800 -0.121 0.000 2.159 400 G HA2 -0.206 3.185 3.960 -0.947 0.000 0.256 400 G HA3 -0.206 3.185 3.960 -0.947 0.000 0.256 400 G C -0.255 174.371 174.900 -0.458 0.000 0.977 400 G CA 0.392 45.316 45.100 -0.292 0.000 0.652 400 G HN 0.653 nan 8.290 nan 0.000 0.531 401 Y N -0.084 120.256 120.300 0.066 0.000 2.485 401 Y HA 0.718 4.700 4.550 -0.947 0.000 0.345 401 Y C 0.984 176.941 175.900 0.096 0.000 0.998 401 Y CA -1.249 56.895 58.100 0.074 0.000 1.059 401 Y CB 1.129 39.630 38.460 0.068 0.000 1.234 401 Y HN 0.129 nan 8.280 nan 0.000 0.461 402 R N 1.552 122.224 120.500 0.287 0.000 2.582 402 R HA 0.425 4.197 4.340 -0.947 0.000 0.271 402 R C -0.772 175.751 176.300 0.371 0.000 1.078 402 R CA -0.516 55.753 56.100 0.283 0.000 1.127 402 R CB 0.692 31.170 30.300 0.296 0.000 1.038 402 R HN 0.687 nan 8.270 nan 0.000 0.500 403 E N 0.958 121.368 120.200 0.351 0.000 2.393 403 E HA 0.376 4.158 4.350 -0.947 0.000 0.273 403 E C -1.243 175.384 176.600 0.045 0.000 0.918 403 E CA -1.008 55.572 56.400 0.300 0.000 0.773 403 E CB 2.880 32.671 29.700 0.152 0.000 1.275 403 E HN 0.235 nan 8.360 nan 0.000 0.451 404 K N 1.365 121.613 120.400 -0.253 0.000 2.535 404 K HA 0.139 3.891 4.320 -0.947 0.000 0.250 404 K C -1.332 175.076 176.600 -0.320 0.000 0.948 404 K CA -0.435 55.501 56.287 -0.584 0.000 0.796 404 K CB 1.030 32.620 32.500 -1.517 0.000 1.216 404 K HN 0.489 nan 8.250 nan 0.000 0.432 405 D N 2.964 123.237 120.400 -0.212 0.000 2.751 405 D HA -0.205 3.867 4.640 -0.947 0.000 0.233 405 D C 0.606 176.871 176.300 -0.059 0.000 1.149 405 D CA 1.908 55.838 54.000 -0.117 0.000 0.682 405 D CB -1.025 39.709 40.800 -0.110 0.000 1.068 405 D HN 1.095 nan 8.370 nan 0.000 0.429 406 G N -0.562 108.215 108.800 -0.039 0.000 2.162 406 G HA2 -0.365 3.027 3.960 -0.947 0.000 0.260 406 G HA3 -0.365 3.027 3.960 -0.947 0.000 0.260 406 G C 0.189 175.110 174.900 0.036 0.000 0.976 406 G CA 0.759 45.861 45.100 0.005 0.000 0.655 406 G HN 0.481 nan 8.290 nan 0.000 0.533 407 K N 0.642 121.072 120.400 0.050 0.000 2.235 407 K HA 0.467 4.218 4.320 -0.947 0.000 0.266 407 K C 0.120 176.856 176.600 0.227 0.000 0.980 407 K CA -0.657 55.699 56.287 0.114 0.000 0.849 407 K CB 2.002 34.572 32.500 0.117 0.000 1.098 407 K HN 0.346 nan 8.250 nan 0.000 0.445 408 E N 2.320 122.628 120.200 0.181 0.000 2.398 408 E HA -0.009 3.773 4.350 -0.947 0.000 0.263 408 E C -0.739 175.965 176.600 0.173 0.000 1.046 408 E CA -0.602 55.912 56.400 0.189 0.000 0.908 408 E CB 0.578 30.327 29.700 0.082 0.000 0.963 408 E HN 0.238 nan 8.360 nan 0.000 0.431 409 L N 4.278 125.558 121.223 0.094 0.000 2.401 409 L HA 0.201 3.973 4.340 -0.947 0.000 0.283 409 L C -0.804 175.944 176.870 -0.203 0.000 1.151 409 L CA 0.596 55.288 54.840 -0.247 0.000 0.942 409 L CB 0.055 41.788 42.059 -0.543 0.000 1.283 409 L HN 0.288 nan 8.230 nan 0.000 0.442 410 S N 5.327 120.927 115.700 -0.167 0.000 2.605 410 S HA 0.785 4.686 4.470 -0.947 0.000 0.308 410 S C -0.781 173.746 174.600 -0.121 0.000 1.113 410 S CA -0.608 57.502 58.200 -0.150 0.000 1.049 410 S CB 0.552 63.683 63.200 -0.115 0.000 1.001 410 S HN 0.505 nan 8.310 nan 0.000 0.480 411 L N 3.806 124.963 121.223 -0.111 0.000 2.354 411 L HA 0.706 4.477 4.340 -0.947 0.000 0.264 411 L C -0.899 175.991 176.870 0.034 0.000 1.008 411 L CA -1.193 53.605 54.840 -0.070 0.000 0.819 411 L CB 2.226 44.188 42.059 -0.163 0.000 1.339 411 L HN 0.311 nan 8.230 nan 0.000 0.420 412 V N 1.413 121.396 119.914 0.116 0.000 2.370 412 V HA 0.258 3.809 4.120 -0.947 0.000 0.283 412 V C -1.079 175.245 176.094 0.382 0.000 1.023 412 V CA -0.531 61.911 62.300 0.237 0.000 0.857 412 V CB 1.374 33.357 31.823 0.266 0.000 0.985 412 V HN 0.442 nan 8.190 nan 0.000 0.443 413 Y N 4.885 125.327 120.300 0.237 0.000 2.417 413 Y HA 0.652 4.634 4.550 -0.947 0.000 0.336 413 Y C 0.410 176.469 175.900 0.265 0.000 0.961 413 Y CA -2.077 56.184 58.100 0.268 0.000 1.215 413 Y CB 1.157 39.791 38.460 0.290 0.000 1.120 413 Y HN 0.664 nan 8.280 nan 0.000 0.499 414 A N 6.268 129.290 122.820 0.337 0.000 3.037 414 A HA 0.629 4.380 4.320 -0.947 0.000 0.272 414 A C 0.494 177.996 177.584 -0.137 0.000 1.723 414 A CA 0.119 52.178 52.037 0.037 0.000 1.413 414 A CB -1.406 17.497 19.000 -0.162 0.000 1.112 414 A HN 0.872 nan 8.150 nan 0.000 0.606 415 A N 2.285 124.824 122.820 -0.469 0.000 2.351 415 A HA 0.644 4.395 4.320 -0.947 0.000 0.257 415 A C 0.746 178.152 177.584 -0.296 0.000 1.087 415 A CA -0.491 51.219 52.037 -0.544 0.000 0.798 415 A CB 0.303 18.794 19.000 -0.848 0.000 1.033 415 A HN 0.931 nan 8.150 nan 0.000 0.488 416 R N 0.699 121.028 120.500 -0.286 0.000 2.892 416 R HA 0.687 4.459 4.340 -0.947 0.000 0.265 416 R C -1.239 174.949 176.300 -0.187 0.000 1.025 416 R CA -0.753 55.193 56.100 -0.258 0.000 0.982 416 R CB 0.739 30.776 30.300 -0.438 0.000 1.185 416 R HN 0.327 nan 8.270 nan 0.000 0.484 417 V N 0.774 120.610 119.914 -0.130 0.000 2.963 417 V HA 0.325 3.877 4.120 -0.947 0.000 0.306 417 V C 1.189 177.218 176.094 -0.109 0.000 1.077 417 V CA 1.566 63.809 62.300 -0.095 0.000 1.124 417 V CB 0.859 32.652 31.823 -0.051 0.000 0.987 417 V HN 1.147 nan 8.190 nan 0.000 0.487 418 G N 2.503 111.240 108.800 -0.105 0.000 4.278 418 G HA2 -0.112 3.280 3.960 -0.947 0.000 0.160 418 G HA3 -0.112 3.280 3.960 -0.947 0.000 0.160 418 G C 0.054 174.893 174.900 -0.102 0.000 2.002 418 G CA 0.054 45.083 45.100 -0.118 0.000 1.013 418 G HN 0.648 nan 8.290 nan 0.000 0.315 419 D N 1.953 122.297 120.400 -0.093 0.000 2.443 419 D HA 0.440 4.511 4.640 -0.947 0.000 0.239 419 D C 1.774 178.022 176.300 -0.087 0.000 1.136 419 D CA 0.602 54.557 54.000 -0.076 0.000 0.879 419 D CB 1.535 42.297 40.800 -0.064 0.000 1.195 419 D HN 0.469 nan 8.370 nan 0.000 0.443 420 A N 4.206 126.982 122.820 -0.073 0.000 2.019 420 A HA -0.198 3.554 4.320 -0.947 0.000 0.219 420 A C 1.473 178.989 177.584 -0.113 0.000 1.164 420 A CA 1.271 53.264 52.037 -0.074 0.000 0.644 420 A CB -0.264 18.710 19.000 -0.044 0.000 0.805 420 A HN 0.745 nan 8.150 nan 0.000 0.449 421 N N -0.804 117.799 118.700 -0.161 0.000 2.321 421 N HA 0.422 4.594 4.740 -0.947 0.000 0.242 421 N C 1.179 176.515 175.510 -0.290 0.000 1.141 421 N CA 0.360 53.235 53.050 -0.291 0.000 0.864 421 N CB 0.431 38.642 38.487 -0.461 0.000 1.100 421 N HN 0.399 nan 8.380 nan 0.000 0.510 422 A N 1.069 123.777 122.820 -0.186 0.000 1.917 422 A HA -0.210 3.541 4.320 -0.947 0.000 0.219 422 A C 2.098 179.581 177.584 -0.168 0.000 1.182 422 A CA 1.327 53.270 52.037 -0.157 0.000 0.633 422 A CB -0.142 18.783 19.000 -0.125 0.000 0.819 422 A HN 0.256 nan 8.150 nan 0.000 0.448 423 E N -0.572 119.530 120.200 -0.163 0.000 2.051 423 E HA -0.141 3.640 4.350 -0.947 0.000 0.192 423 E C 2.213 178.712 176.600 -0.168 0.000 0.991 423 E CA 1.831 58.147 56.400 -0.140 0.000 0.799 423 E CB -0.722 28.909 29.700 -0.115 0.000 0.748 423 E HN 0.645 nan 8.360 nan 0.000 0.449 424 T N 1.862 116.265 114.554 -0.252 0.000 2.746 424 T HA -0.115 3.667 4.350 -0.947 0.000 0.267 424 T C 2.165 176.664 174.700 -0.336 0.000 1.039 424 T CA 1.007 62.916 62.100 -0.318 0.000 1.142 424 T CB -0.235 68.305 68.868 -0.547 0.000 0.866 424 T HN 0.096 nan 8.240 nan 0.000 0.444 425 I N 1.371 121.702 120.570 -0.399 0.000 2.179 425 I HA -0.176 3.426 4.170 -0.947 0.000 0.242 425 I C 2.969 178.844 176.117 -0.403 0.000 1.088 425 I CA 1.155 62.219 61.300 -0.395 0.000 1.357 425 I CB -0.525 37.299 38.000 -0.294 0.000 1.051 425 I HN 0.194 nan 8.210 nan 0.000 0.409 426 A N 0.002 122.732 122.820 -0.149 0.000 1.908 426 A HA -0.256 3.496 4.320 -0.947 0.000 0.218 426 A C 2.285 179.923 177.584 0.091 0.000 1.181 426 A CA 1.513 53.613 52.037 0.105 0.000 0.627 426 A CB -0.532 18.489 19.000 0.035 0.000 0.818 426 A HN 0.398 nan 8.150 nan 0.000 0.445 427 Q N -0.113 119.676 119.800 -0.019 0.000 2.084 427 Q HA -0.187 3.585 4.340 -0.947 0.000 0.202 427 Q C 2.078 178.054 176.000 -0.039 0.000 0.978 427 Q CA 1.538 57.343 55.803 0.004 0.000 0.844 427 Q CB -0.648 28.080 28.738 -0.016 0.000 0.898 427 Q HN 0.878 nan 8.270 nan 0.000 0.426 428 N N -0.010 118.606 118.700 -0.141 0.000 2.149 428 N HA -0.196 3.976 4.740 -0.947 0.000 0.188 428 N C 1.462 176.860 175.510 -0.185 0.000 1.019 428 N CA 1.156 54.111 53.050 -0.159 0.000 0.857 428 N CB -0.050 38.322 38.487 -0.193 0.000 0.997 428 N HN 0.198 nan 8.380 nan 0.000 0.426 429 Y N 1.380 121.536 120.300 -0.240 0.000 2.200 429 Y HA 0.043 4.024 4.550 -0.948 0.000 0.290 429 Y C 2.513 177.985 175.900 -0.713 0.000 1.137 429 Y CA 0.264 57.940 58.100 -0.706 0.000 1.163 429 Y CB -0.680 37.237 38.460 -0.905 0.000 0.988 429 Y HN 0.023 nan 8.280 nan 0.000 0.518 430 I N -0.253 120.325 120.570 0.014 0.000 2.208 430 I HA -0.326 3.275 4.170 -0.947 0.000 0.245 430 I C 2.269 178.497 176.117 0.184 0.000 1.097 430 I CA 1.250 62.721 61.300 0.285 0.000 1.363 430 I CB -0.286 37.904 38.000 0.316 0.000 1.051 430 I HN 0.214 nan 8.210 nan 0.000 0.413 431 Q N 0.257 120.100 119.800 0.072 0.000 2.119 431 Q HA -0.179 3.592 4.340 -0.947 0.000 0.201 431 Q C 2.214 178.241 176.000 0.046 0.000 0.972 431 Q CA 1.200 57.045 55.803 0.070 0.000 0.847 431 Q CB -0.367 28.393 28.738 0.037 0.000 0.903 431 Q HN 0.529 nan 8.270 nan 0.000 0.433 432 Q N -0.771 118.998 119.800 -0.053 0.000 2.084 432 Q HA -0.134 3.638 4.340 -0.947 0.000 0.202 432 Q C 1.901 177.929 176.000 0.047 0.000 0.978 432 Q CA 0.920 56.684 55.803 -0.064 0.000 0.844 432 Q CB -0.447 28.178 28.738 -0.189 0.000 0.898 432 Q HN 0.487 nan 8.270 nan 0.000 0.426 433 W N 1.563 122.931 121.300 0.113 0.000 2.363 433 W HA -0.065 4.027 4.660 -0.948 0.000 0.296 433 W C 2.127 178.721 176.519 0.125 0.000 1.212 433 W CA 0.702 58.103 57.345 0.093 0.000 1.260 433 W CB -0.700 28.804 29.460 0.073 0.000 1.131 433 W HN 0.250 nan 8.180 nan 0.000 0.530 434 K N 1.140 121.746 120.400 0.344 0.000 2.103 434 K HA -0.202 3.549 4.320 -0.947 0.000 0.207 434 K C 1.862 178.544 176.600 0.137 0.000 1.048 434 K CA 1.646 58.098 56.287 0.276 0.000 0.930 434 K CB -0.144 32.488 32.500 0.220 0.000 0.716 434 K HN 0.001 nan 8.250 nan 0.000 0.444 435 K N 0.490 120.962 120.400 0.120 0.000 2.280 435 K HA -0.108 3.644 4.320 -0.947 0.000 0.202 435 K C 1.765 178.417 176.600 0.087 0.000 1.047 435 K CA 1.434 57.766 56.287 0.075 0.000 0.942 435 K CB -0.133 32.407 32.500 0.065 0.000 0.739 435 K HN 0.441 nan 8.250 nan 0.000 0.457 436 I N -3.800 116.854 120.570 0.140 0.000 3.904 436 I HA 0.339 3.941 4.170 -0.947 0.000 0.333 436 I C 0.606 176.800 176.117 0.128 0.000 1.361 436 I CA -0.034 61.345 61.300 0.132 0.000 1.116 436 I CB 0.432 38.529 38.000 0.160 0.000 1.028 436 I HN 0.108 nan 8.210 nan 0.000 0.398 437 G N 1.552 110.436 108.800 0.140 0.000 2.147 437 G HA2 -0.191 3.201 3.960 -0.947 0.000 0.244 437 G HA3 -0.191 3.201 3.960 -0.947 0.000 0.244 437 G C -0.077 175.013 174.900 0.317 0.000 1.005 437 G CA 0.126 45.332 45.100 0.176 0.000 0.713 437 G HN 0.329 nan 8.290 nan 0.000 0.515 438 V N 0.524 120.614 119.914 0.294 0.000 2.384 438 V HA 0.502 4.054 4.120 -0.947 0.000 0.287 438 V C 0.546 176.757 176.094 0.196 0.000 1.020 438 V CA -0.867 61.520 62.300 0.144 0.000 0.850 438 V CB 1.822 33.631 31.823 -0.023 0.000 0.987 438 V HN 0.358 nan 8.190 nan 0.000 0.436 439 K N 4.147 124.498 120.400 -0.082 0.000 2.248 439 K HA 0.647 4.399 4.320 -0.947 0.000 0.281 439 K C -1.329 175.217 176.600 -0.090 0.000 1.054 439 K CA -0.280 55.836 56.287 -0.284 0.000 0.903 439 K CB 1.228 33.268 32.500 -0.767 0.000 1.077 439 K HN 0.521 nan 8.250 nan 0.000 0.474 440 V N 3.004 122.960 119.914 0.070 0.000 2.588 440 V HA 0.365 3.917 4.120 -0.947 0.000 0.304 440 V C -0.802 175.408 176.094 0.193 0.000 1.042 440 V CA -0.802 61.582 62.300 0.140 0.000 0.877 440 V CB 2.006 33.993 31.823 0.274 0.000 0.996 440 V HN 0.822 nan 8.190 nan 0.000 0.425 441 S N 4.141 119.946 115.700 0.176 0.000 2.568 441 S HA 0.730 4.632 4.470 -0.947 0.000 0.293 441 S C -0.529 174.196 174.600 0.208 0.000 1.089 441 S CA -0.691 57.605 58.200 0.161 0.000 0.945 441 S CB 1.827 65.077 63.200 0.082 0.000 1.077 441 S HN 0.534 nan 8.310 nan 0.000 0.485 442 L N 1.956 123.274 121.223 0.159 0.000 2.452 442 L HA 0.280 4.052 4.340 -0.947 0.000 0.267 442 L C -0.117 176.829 176.870 0.127 0.000 1.188 442 L CA -0.552 54.365 54.840 0.128 0.000 0.821 442 L CB 0.166 42.254 42.059 0.049 0.000 1.102 442 L HN 0.706 nan 8.230 nan 0.000 0.470 443 Y N 4.078 124.395 120.300 0.027 0.000 2.677 443 Y HA -0.106 3.876 4.550 -0.946 0.000 0.335 443 Y C 0.866 176.759 175.900 -0.011 0.000 1.162 443 Y CA 0.029 58.141 58.100 0.019 0.000 1.483 443 Y CB -0.144 38.304 38.460 -0.019 0.000 1.209 443 Y HN 0.651 nan 8.280 nan 0.000 0.528 444 N N 3.976 122.423 118.700 -0.422 0.000 2.708 444 N HA -0.216 3.956 4.740 -0.947 0.000 0.249 444 N C 0.919 176.373 175.510 -0.093 0.000 1.097 444 N CA 1.499 54.389 53.050 -0.267 0.000 0.710 444 N CB -1.463 36.850 38.487 -0.290 0.000 1.032 444 N HN 1.227 nan 8.380 nan 0.000 0.551 445 G N -0.898 107.873 108.800 -0.047 0.000 2.166 445 G HA2 -0.380 3.012 3.960 -0.947 0.000 0.260 445 G HA3 -0.380 3.012 3.960 -0.947 0.000 0.260 445 G C 0.033 174.931 174.900 -0.003 0.000 0.986 445 G CA 1.444 46.538 45.100 -0.011 0.000 0.683 445 G HN 0.944 nan 8.290 nan 0.000 0.527 446 K N -1.149 119.252 120.400 0.002 0.000 2.548 446 K HA 0.729 4.480 4.320 -0.947 0.000 0.282 446 K C -0.121 176.474 176.600 -0.007 0.000 1.006 446 K CA -1.415 54.868 56.287 -0.005 0.000 0.892 446 K CB 1.090 33.586 32.500 -0.007 0.000 1.499 446 K HN 0.085 nan 8.250 nan 0.000 0.433 447 L N 1.781 122.981 121.223 -0.038 0.000 2.483 447 L HA 0.168 3.940 4.340 -0.947 0.000 0.276 447 L C 0.418 177.265 176.870 -0.038 0.000 1.213 447 L CA -0.043 54.757 54.840 -0.067 0.000 0.843 447 L CB 0.242 42.249 42.059 -0.087 0.000 1.107 447 L HN 0.516 nan 8.230 nan 0.000 0.487 448 M N 2.723 122.289 119.600 -0.058 0.000 2.180 448 M HA 0.164 4.076 4.480 -0.947 0.000 0.358 448 M C 0.105 176.384 176.300 -0.034 0.000 1.233 448 M CA -0.565 54.709 55.300 -0.042 0.000 1.114 448 M CB 0.992 33.545 32.600 -0.079 0.000 1.594 448 M HN 0.464 nan 8.290 nan 0.000 0.467 449 E N 1.680 121.876 120.200 -0.008 0.000 2.418 449 E HA -0.065 3.717 4.350 -0.947 0.000 0.261 449 E C 0.451 177.085 176.600 0.057 0.000 1.070 449 E CA 0.156 56.570 56.400 0.024 0.000 0.931 449 E CB 0.557 30.274 29.700 0.028 0.000 0.954 449 E HN 0.597 nan 8.360 nan 0.000 0.439 450 F N 3.525 123.448 119.950 -0.046 0.000 2.095 450 F HA -0.264 3.696 4.527 -0.945 0.000 0.298 450 F C 1.564 177.400 175.800 0.059 0.000 1.104 450 F CA 1.818 59.803 58.000 -0.026 0.000 1.232 450 F CB -0.022 38.935 39.000 -0.072 0.000 0.987 450 F HN 0.346 nan 8.300 nan 0.000 0.475 451 N N -0.185 118.508 118.700 -0.011 0.000 2.166 451 N HA -0.181 3.991 4.740 -0.947 0.000 0.186 451 N C 2.175 177.589 175.510 -0.160 0.000 1.019 451 N CA 1.386 54.362 53.050 -0.124 0.000 0.856 451 N CB -0.833 37.667 38.487 0.021 0.000 0.993 451 N HN 0.353 nan 8.380 nan 0.000 0.426 452 S N -0.354 115.293 115.700 -0.090 0.000 2.382 452 S HA -0.135 3.767 4.470 -0.947 0.000 0.228 452 S C 1.736 176.237 174.600 -0.165 0.000 1.027 452 S CA 0.962 59.105 58.200 -0.095 0.000 0.991 452 S CB -0.312 62.854 63.200 -0.056 0.000 0.823 452 S HN 0.563 nan 8.310 nan 0.000 0.469 453 W N 1.727 122.794 121.300 -0.387 0.000 2.355 453 W HA -0.106 3.985 4.660 -0.948 0.000 0.309 453 W C 1.917 178.093 176.519 -0.572 0.000 1.206 453 W CA 1.526 58.572 57.345 -0.499 0.000 1.284 453 W CB -0.650 28.508 29.460 -0.504 0.000 1.145 453 W HN 0.079 nan 8.180 nan 0.000 0.502 454 V N 1.369 120.956 119.914 -0.546 0.000 2.287 454 V HA -0.356 3.196 4.120 -0.947 0.000 0.248 454 V C 2.063 177.809 176.094 -0.580 0.000 1.053 454 V CA 2.452 64.314 62.300 -0.729 0.000 1.027 454 V CB -1.090 30.393 31.823 -0.566 0.000 0.646 454 V HN 0.096 nan 8.190 nan 0.000 0.447 455 D N -1.028 119.150 120.400 -0.370 0.000 2.123 455 D HA -0.201 3.871 4.640 -0.947 0.000 0.196 455 D C 2.114 178.247 176.300 -0.278 0.000 0.992 455 D CA 1.729 55.582 54.000 -0.245 0.000 0.833 455 D CB -0.360 40.358 40.800 -0.138 0.000 0.954 455 D HN 0.587 nan 8.370 nan 0.000 0.455 456 H N -0.748 118.042 119.070 -0.466 0.000 2.387 456 H HA -0.008 3.980 4.556 -0.948 0.000 0.299 456 H C 1.806 176.818 175.328 -0.527 0.000 1.090 456 H CA 1.268 57.038 56.048 -0.463 0.000 1.332 456 H CB 0.168 29.579 29.762 -0.585 0.000 1.386 456 H HN -0.002 nan 8.280 nan 0.000 0.516 457 M N -0.928 118.188 119.600 -0.807 0.000 2.435 457 M HA 0.014 3.926 4.480 -0.947 0.000 0.265 457 M C 1.910 177.946 176.300 -0.440 0.000 1.104 457 M CA 1.371 56.114 55.300 -0.928 0.000 1.140 457 M CB -0.656 30.686 32.600 -2.097 0.000 1.372 457 M HN 0.443 nan 8.290 nan 0.000 0.456 458 T N -3.616 110.725 114.554 -0.356 0.000 3.001 458 T HA 0.116 3.897 4.350 -0.947 0.000 0.251 458 T C 0.652 175.323 174.700 -0.048 0.000 1.040 458 T CA -0.041 62.008 62.100 -0.085 0.000 0.985 458 T CB -0.356 68.502 68.868 -0.017 0.000 1.011 458 T HN 0.106 nan 8.240 nan 0.000 0.509 459 T N 5.180 119.681 114.554 -0.089 0.000 2.738 459 T HA 0.384 4.166 4.350 -0.947 0.000 0.293 459 T C -2.535 172.166 174.700 0.002 0.000 0.913 459 T CA -0.892 61.181 62.100 -0.045 0.000 1.103 459 T CB 0.808 69.631 68.868 -0.074 0.000 0.880 459 T HN 0.252 nan 8.240 nan 0.000 0.526 460 P HA 0.165 nan 4.420 nan 0.000 0.269 460 P C -1.586 175.747 177.300 0.056 0.000 1.215 460 P CA -1.275 61.890 63.100 0.108 0.000 0.780 460 P CB 0.132 31.948 31.700 0.194 0.000 0.898 461 P HA 0.157 nan 4.420 nan 0.000 0.257 461 P C 0.163 177.491 177.300 0.047 0.000 1.281 461 P CA 0.330 63.482 63.100 0.087 0.000 0.826 461 P CB -0.072 31.658 31.700 0.051 0.000 1.237 462 G N -0.119 108.720 108.800 0.065 0.000 2.650 462 G HA2 0.220 3.612 3.960 -0.947 0.000 0.686 462 G HA3 0.220 3.612 3.960 -0.947 0.000 0.686 462 G C -0.581 174.365 174.900 0.077 0.000 1.205 462 G CA -0.550 44.637 45.100 0.146 0.000 0.781 462 G HN 0.378 nan 8.290 nan 0.000 0.648 463 A N 0.223 123.105 122.820 0.102 0.000 2.264 463 A HA 0.801 4.553 4.320 -0.947 0.000 0.304 463 A C 0.951 178.582 177.584 0.079 0.000 1.100 463 A CA 0.324 52.393 52.037 0.054 0.000 0.839 463 A CB 1.243 20.194 19.000 -0.081 0.000 1.121 463 A HN 1.441 nan 8.150 nan 0.000 0.496 464 N N -0.904 117.836 118.700 0.067 0.000 2.177 464 N HA 0.047 4.219 4.740 -0.947 0.000 0.218 464 N C -0.245 175.291 175.510 0.043 0.000 1.182 464 N CA 0.566 53.615 53.050 -0.001 0.000 0.882 464 N CB 0.460 38.950 38.487 0.005 0.000 1.052 464 N HN 0.627 nan 8.380 nan 0.000 0.519 465 D N -0.679 119.849 120.400 0.213 0.000 2.462 465 D HA 0.044 4.116 4.640 -0.947 0.000 0.221 465 D C -0.107 176.497 176.300 0.506 0.000 1.173 465 D CA -0.529 53.665 54.000 0.325 0.000 0.831 465 D CB -0.581 40.462 40.800 0.405 0.000 1.001 465 D HN 0.261 nan 8.370 nan 0.000 0.499 466 W N 0.151 121.612 121.300 0.268 0.000 3.031 466 W HA 0.536 4.629 4.660 -0.946 0.000 0.337 466 W C -0.931 175.700 176.519 0.186 0.000 1.187 466 W CA -0.681 56.810 57.345 0.243 0.000 1.166 466 W CB 0.934 30.506 29.460 0.188 0.000 1.437 466 W HN -0.340 nan 8.180 nan 0.000 0.551 467 D N 0.937 121.511 120.400 0.290 0.000 2.626 467 D HA 0.243 4.315 4.640 -0.947 0.000 0.274 467 D C 0.339 176.849 176.300 0.351 0.000 1.045 467 D CA 0.683 54.733 54.000 0.083 0.000 0.925 467 D CB 1.768 42.592 40.800 0.039 0.000 1.260 467 D HN 0.174 nan 8.370 nan 0.000 0.490 468 I N 0.463 121.382 120.570 0.582 0.000 2.509 468 I HA 0.314 3.915 4.170 -0.947 0.000 0.293 468 I C -0.200 176.350 176.117 0.721 0.000 1.020 468 I CA -0.242 61.391 61.300 0.555 0.000 1.088 468 I CB 2.645 40.730 38.000 0.141 0.000 1.267 468 I HN -0.226 nan 8.210 nan 0.000 0.430 469 T N 3.103 118.007 114.554 0.582 0.000 2.787 469 T HA 0.391 4.173 4.350 -0.947 0.000 0.297 469 T C -1.945 173.018 174.700 0.438 0.000 1.221 469 T CA -0.589 61.758 62.100 0.411 0.000 1.006 469 T CB 1.788 70.629 68.868 -0.044 0.000 1.328 469 T HN 0.507 nan 8.240 nan 0.000 0.509 470 D N 0.310 120.908 120.400 0.329 0.000 2.350 470 D HA 0.628 4.699 4.640 -0.947 0.000 0.245 470 D C -0.236 176.145 176.300 0.135 0.000 1.036 470 D CA -0.215 53.940 54.000 0.259 0.000 0.848 470 D CB 1.948 42.838 40.800 0.150 0.000 1.307 470 D HN 0.765 nan 8.370 nan 0.000 0.469 471 G N -0.483 108.493 108.800 0.293 0.000 2.642 471 G HA2 0.637 4.028 3.960 -0.947 0.000 0.293 471 G HA3 0.637 4.028 3.960 -0.947 0.000 0.293 471 G C -1.223 173.650 174.900 -0.046 0.000 1.341 471 G CA -0.726 44.450 45.100 0.126 0.000 0.916 471 G HN 0.451 nan 8.290 nan 0.000 0.474 472 S N -1.259 114.195 115.700 -0.411 0.000 2.537 472 S HA 0.756 4.658 4.470 -0.947 0.000 0.270 472 S C -1.922 172.279 174.600 -0.665 0.000 1.142 472 S CA -0.920 57.014 58.200 -0.442 0.000 0.870 472 S CB 1.470 64.497 63.200 -0.290 0.000 1.112 472 S HN 0.714 nan 8.310 nan 0.000 0.466 473 W N 0.579 121.759 121.300 -0.200 0.000 3.022 473 W HA 0.610 4.700 4.660 -0.951 0.000 0.335 473 W C -0.398 176.095 176.519 -0.043 0.000 1.133 473 W CA -0.646 56.663 57.345 -0.060 0.000 1.219 473 W CB 2.362 31.811 29.460 -0.019 0.000 1.409 473 W HN 0.636 nan 8.180 nan 0.000 0.507 474 S N 3.071 118.967 115.700 0.325 0.000 2.416 474 S HA 0.432 4.334 4.470 -0.947 0.000 0.287 474 S C -0.226 174.512 174.600 0.230 0.000 1.139 474 S CA -0.567 57.794 58.200 0.268 0.000 1.058 474 S CB -0.156 63.170 63.200 0.210 0.000 0.967 474 S HN 0.222 nan 8.310 nan 0.000 0.495 475 L N 2.955 124.299 121.223 0.202 0.000 2.334 475 L HA 0.573 4.344 4.340 -0.947 0.000 0.277 475 L C 0.735 177.648 176.870 0.071 0.000 1.075 475 L CA -0.742 54.181 54.840 0.138 0.000 0.804 475 L CB 0.771 42.941 42.059 0.184 0.000 1.174 475 L HN 0.590 nan 8.230 nan 0.000 0.438 476 A N 1.299 124.121 122.820 0.004 0.000 2.332 476 A HA 0.322 4.073 4.320 -0.947 0.000 0.258 476 A C 1.061 178.613 177.584 -0.053 0.000 1.087 476 A CA 0.025 52.025 52.037 -0.062 0.000 0.802 476 A CB 0.516 19.463 19.000 -0.089 0.000 1.042 476 A HN 0.863 nan 8.150 nan 0.000 0.489 477 S N -0.509 115.087 115.700 -0.173 0.000 2.522 477 S HA 0.005 3.906 4.470 -0.947 0.000 0.227 477 S C 0.454 175.079 174.600 0.041 0.000 0.986 477 S CA 0.915 59.009 58.200 -0.177 0.000 0.929 477 S CB -0.169 62.564 63.200 -0.779 0.000 0.769 477 S HN 0.757 nan 8.310 nan 0.000 0.529 478 E N 3.091 123.249 120.200 -0.071 0.000 2.055 478 E HA 0.327 4.109 4.350 -0.947 0.000 0.274 478 E C -2.361 174.122 176.600 -0.196 0.000 0.949 478 E CA -2.459 53.885 56.400 -0.094 0.000 0.775 478 E CB 1.400 31.056 29.700 -0.073 0.000 1.097 478 E HN 0.109 nan 8.360 nan 0.000 0.404 479 P HA 0.115 nan 4.420 nan 0.000 0.259 479 P C -0.195 176.998 177.300 -0.179 0.000 1.530 479 P CA -0.348 62.516 63.100 -0.393 0.000 1.022 479 P CB 0.331 31.489 31.700 -0.903 0.000 1.514 480 S N 0.878 116.517 115.700 -0.102 0.000 2.558 480 S HA -0.022 3.880 4.470 -0.947 0.000 0.291 480 S C 0.797 175.328 174.600 -0.116 0.000 1.306 480 S CA 0.293 58.440 58.200 -0.089 0.000 1.056 480 S CB 0.122 63.231 63.200 -0.153 0.000 0.836 480 S HN 0.197 nan 8.310 nan 0.000 0.504 481 Q N 2.459 122.188 119.800 -0.118 0.000 2.186 481 Q HA 0.162 3.934 4.340 -0.947 0.000 0.241 481 Q C 1.302 177.234 176.000 -0.115 0.000 0.849 481 Q CA -0.466 55.290 55.803 -0.078 0.000 1.053 481 Q CB 0.446 29.305 28.738 0.202 0.000 1.146 481 Q HN 0.682 nan 8.270 nan 0.000 0.475 482 Q N 1.321 121.026 119.800 -0.158 0.000 2.096 482 Q HA -0.195 3.577 4.340 -0.947 0.000 0.204 482 Q C 1.401 177.292 176.000 -0.181 0.000 0.982 482 Q CA 1.660 57.377 55.803 -0.143 0.000 0.850 482 Q CB -0.008 28.649 28.738 -0.134 0.000 0.901 482 Q HN 0.619 nan 8.270 nan 0.000 0.422 483 D N -0.398 119.865 120.400 -0.229 0.000 2.371 483 D HA -0.103 3.969 4.640 -0.947 0.000 0.221 483 D C 1.668 177.732 176.300 -0.393 0.000 0.986 483 D CA 0.502 54.332 54.000 -0.283 0.000 0.899 483 D CB -0.151 40.495 40.800 -0.257 0.000 0.902 483 D HN 0.272 nan 8.370 nan 0.000 0.530 484 L N -1.803 119.096 121.223 -0.539 0.000 2.467 484 L HA 0.188 3.960 4.340 -0.947 0.000 0.213 484 L C 1.052 177.361 176.870 -0.934 0.000 1.053 484 L CA 0.336 54.588 54.840 -0.979 0.000 0.847 484 L CB 0.105 41.240 42.059 -1.539 0.000 1.075 484 L HN -0.126 nan 8.230 nan 0.000 0.479 485 F N -0.815 119.078 119.950 -0.095 0.000 2.856 485 F HA 0.172 4.131 4.527 -0.947 0.000 0.338 485 F C 1.414 177.122 175.800 -0.152 0.000 1.100 485 F CA -0.805 57.176 58.000 -0.032 0.000 1.150 485 F CB -0.052 39.110 39.000 0.270 0.000 1.101 485 F HN -0.144 nan 8.300 nan 0.000 0.548 486 S N 0.731 116.413 115.700 -0.030 0.000 2.589 486 S HA 0.446 4.348 4.470 -0.947 0.000 0.265 486 S C 1.600 176.120 174.600 -0.134 0.000 1.342 486 S CA -0.039 58.123 58.200 -0.065 0.000 1.005 486 S CB 1.480 64.639 63.200 -0.068 0.000 0.909 486 S HN 0.221 nan 8.310 nan 0.000 0.555 487 A N 1.767 124.522 122.820 -0.107 0.000 2.019 487 A HA 0.167 3.919 4.320 -0.947 0.000 0.219 487 A C 2.218 179.781 177.584 -0.034 0.000 1.164 487 A CA 1.600 53.573 52.037 -0.106 0.000 0.644 487 A CB -1.405 17.554 19.000 -0.068 0.000 0.805 487 A HN 1.401 nan 8.150 nan 0.000 0.449 488 A N -0.904 121.906 122.820 -0.016 0.000 2.218 488 A HA 0.589 4.341 4.320 -0.947 0.000 0.209 488 A C 1.259 178.904 177.584 0.101 0.000 1.168 488 A CA 0.638 52.705 52.037 0.050 0.000 0.804 488 A CB -0.583 18.420 19.000 0.004 0.000 0.834 488 A HN 0.927 nan 8.150 nan 0.000 0.482 489 A N 0.863 123.669 122.820 -0.022 0.000 2.404 489 A HA 0.534 4.285 4.320 -0.947 0.000 0.273 489 A C -1.288 176.137 177.584 -0.265 0.000 1.144 489 A CA -1.205 50.737 52.037 -0.157 0.000 0.806 489 A CB 0.195 19.064 19.000 -0.219 0.000 1.080 489 A HN 0.153 nan 8.150 nan 0.000 0.509 490 P HA -0.153 nan 4.420 nan 0.000 0.219 490 P C 0.535 177.698 177.300 -0.229 0.000 1.146 490 P CA 1.203 63.888 63.100 -0.692 0.000 0.808 490 P CB 0.014 31.350 31.700 -0.606 0.000 0.779 491 Y N -1.096 118.996 120.300 -0.345 0.000 2.578 491 Y HA 0.036 4.017 4.550 -0.949 0.000 0.297 491 Y C 1.145 176.552 175.900 -0.821 0.000 1.176 491 Y CA -0.501 57.285 58.100 -0.524 0.000 1.315 491 Y CB -1.550 36.619 38.460 -0.485 0.000 1.031 491 Y HN -0.001 nan 8.280 nan 0.000 0.524 492 N N 1.043 119.562 118.700 -0.303 0.000 2.819 492 N HA -0.052 4.119 4.740 -0.947 0.000 0.284 492 N C 0.392 175.819 175.510 -0.138 0.000 1.196 492 N CA 0.055 52.998 53.050 -0.177 0.000 1.114 492 N CB -0.665 37.722 38.487 -0.167 0.000 1.437 492 N HN -0.060 nan 8.380 nan 0.000 0.518 493 F N 0.417 120.334 119.950 -0.055 0.000 2.216 493 F HA 0.080 4.038 4.527 -0.948 0.000 0.300 493 F C 2.345 177.933 175.800 -0.354 0.000 1.085 493 F CA 0.978 58.809 58.000 -0.281 0.000 1.326 493 F CB -0.691 38.021 39.000 -0.480 0.000 1.027 493 F HN 0.490 nan 8.300 nan 0.000 0.497 494 G N -2.400 106.501 108.800 0.169 0.000 2.939 494 G HA2 -0.024 3.367 3.960 -0.947 0.000 0.210 494 G HA3 -0.024 3.367 3.960 -0.947 0.000 0.210 494 G C -0.037 174.881 174.900 0.030 0.000 1.160 494 G CA 0.245 45.451 45.100 0.177 0.000 0.770 494 G HN 0.542 nan 8.290 nan 0.000 0.543 495 H N -1.152 118.065 119.070 0.245 0.000 2.886 495 H HA -0.174 3.814 4.556 -0.947 0.000 0.294 495 H C 0.265 175.605 175.328 0.021 0.000 1.246 495 H CA 0.802 56.900 56.048 0.084 0.000 1.142 495 H CB -2.704 27.110 29.762 0.088 0.000 1.358 495 H HN 0.613 nan 8.280 nan 0.000 0.406 496 F N 0.314 120.282 119.950 0.031 0.000 2.410 496 F HA 0.562 4.520 4.527 -0.948 0.000 0.334 496 F C 0.369 176.072 175.800 -0.161 0.000 1.134 496 F CA -0.868 57.004 58.000 -0.213 0.000 1.227 496 F CB 0.864 39.501 39.000 -0.605 0.000 1.194 496 F HN 0.067 nan 8.300 nan 0.000 0.571 497 N N 2.254 120.938 118.700 -0.027 0.000 2.571 497 N HA 0.161 4.333 4.740 -0.947 0.000 0.286 497 N C -2.527 173.027 175.510 0.073 0.000 1.138 497 N CA -0.376 52.661 53.050 -0.021 0.000 0.859 497 N CB 1.204 39.661 38.487 -0.050 0.000 1.414 497 N HN 0.914 nan 8.380 nan 0.000 0.529 498 D N 2.006 122.513 120.400 0.178 0.000 2.696 498 D HA 0.266 4.338 4.640 -0.947 0.000 0.251 498 D C 0.232 176.636 176.300 0.173 0.000 1.188 498 D CA -0.255 53.869 54.000 0.207 0.000 0.876 498 D CB 1.794 42.810 40.800 0.362 0.000 1.334 498 D HN 0.320 nan 8.370 nan 0.000 0.540 499 S N 2.656 118.429 115.700 0.122 0.000 2.383 499 S HA -0.195 3.707 4.470 -0.947 0.000 0.229 499 S C 1.553 176.212 174.600 0.098 0.000 1.030 499 S CA 1.204 59.459 58.200 0.091 0.000 1.002 499 S CB 0.050 63.291 63.200 0.068 0.000 0.829 499 S HN 0.711 nan 8.310 nan 0.000 0.467 500 E N 0.716 120.985 120.200 0.114 0.000 2.072 500 E HA -0.129 3.653 4.350 -0.947 0.000 0.191 500 E C 1.835 178.514 176.600 0.132 0.000 0.985 500 E CA 0.993 57.454 56.400 0.102 0.000 0.801 500 E CB -0.050 29.703 29.700 0.088 0.000 0.750 500 E HN 0.316 nan 8.360 nan 0.000 0.452 501 I N 1.458 122.144 120.570 0.193 0.000 2.226 501 I HA -0.199 3.403 4.170 -0.947 0.000 0.245 501 I C 2.398 178.642 176.117 0.212 0.000 1.100 501 I CA 1.296 62.754 61.300 0.262 0.000 1.374 501 I CB -1.568 36.677 38.000 0.410 0.000 1.057 501 I HN 0.187 nan 8.210 nan 0.000 0.413 502 T N 0.998 115.650 114.554 0.162 0.000 2.684 502 T HA -0.229 3.553 4.350 -0.947 0.000 0.267 502 T C 2.005 176.734 174.700 0.048 0.000 1.036 502 T CA 1.565 63.716 62.100 0.086 0.000 1.148 502 T CB -0.154 68.751 68.868 0.062 0.000 0.863 502 T HN 0.302 nan 8.240 nan 0.000 0.436 503 K N 0.706 121.139 120.400 0.056 0.000 2.057 503 K HA -0.179 3.573 4.320 -0.947 0.000 0.207 503 K C 1.684 178.297 176.600 0.021 0.000 1.049 503 K CA 1.703 58.011 56.287 0.034 0.000 0.931 503 K CB -0.191 32.334 32.500 0.042 0.000 0.714 503 K HN 0.209 nan 8.250 nan 0.000 0.440 504 D N 1.047 121.477 120.400 0.049 0.000 2.097 504 D HA -0.133 3.939 4.640 -0.947 0.000 0.197 504 D C 2.091 178.342 176.300 -0.081 0.000 0.984 504 D CA 0.945 54.967 54.000 0.036 0.000 0.826 504 D CB -0.230 40.672 40.800 0.170 0.000 0.973 504 D HN 0.200 nan 8.370 nan 0.000 0.460 505 L N 0.813 121.978 121.223 -0.097 0.000 2.046 505 L HA -0.180 3.591 4.340 -0.947 0.000 0.208 505 L C 2.038 178.784 176.870 -0.206 0.000 1.077 505 L CA 0.930 55.617 54.840 -0.255 0.000 0.747 505 L CB -0.406 41.559 42.059 -0.155 0.000 0.896 505 L HN -0.004 nan 8.230 nan 0.000 0.432 506 N N -0.252 118.383 118.700 -0.109 0.000 2.166 506 N HA -0.208 3.964 4.740 -0.947 0.000 0.186 506 N C 1.525 176.982 175.510 -0.088 0.000 1.019 506 N CA 1.349 54.346 53.050 -0.089 0.000 0.856 506 N CB -0.424 38.035 38.487 -0.045 0.000 0.993 506 N HN 0.280 nan 8.380 nan 0.000 0.426 507 D N 0.760 121.119 120.400 -0.067 0.000 2.144 507 D HA -0.010 4.062 4.640 -0.947 0.000 0.199 507 D C 1.942 178.210 176.300 -0.053 0.000 0.984 507 D CA 0.478 54.474 54.000 -0.007 0.000 0.834 507 D CB -0.127 40.687 40.800 0.023 0.000 0.955 507 D HN 0.217 nan 8.370 nan 0.000 0.465 508 I N 0.287 120.718 120.570 -0.231 0.000 2.361 508 I HA -0.203 3.399 4.170 -0.947 0.000 0.251 508 I C 0.972 176.913 176.117 -0.293 0.000 1.133 508 I CA 1.114 62.162 61.300 -0.421 0.000 1.413 508 I CB -0.031 37.456 38.000 -0.856 0.000 1.073 508 I HN -0.062 nan 8.210 nan 0.000 0.424 509 D N 0.206 120.475 120.400 -0.218 0.000 2.388 509 D HA 0.084 4.156 4.640 -0.947 0.000 0.221 509 D C 0.767 177.001 176.300 -0.112 0.000 1.133 509 D CA 0.156 54.061 54.000 -0.157 0.000 0.831 509 D CB 0.193 40.903 40.800 -0.150 0.000 0.962 509 D HN 0.248 nan 8.370 nan 0.000 0.502 510 S N -0.696 114.955 115.700 -0.082 0.000 2.669 510 S HA 0.531 4.433 4.470 -0.947 0.000 0.270 510 S C 1.591 176.135 174.600 -0.093 0.000 1.225 510 S CA -0.211 57.945 58.200 -0.073 0.000 0.991 510 S CB 2.135 65.310 63.200 -0.041 0.000 0.987 510 S HN -0.003 nan 8.310 nan 0.000 0.552 511 A N 1.396 124.152 122.820 -0.106 0.000 1.940 511 A HA -0.100 3.652 4.320 -0.947 0.000 0.219 511 A C 2.106 179.589 177.584 -0.169 0.000 1.176 511 A CA 1.627 53.593 52.037 -0.119 0.000 0.631 511 A CB -0.921 18.017 19.000 -0.103 0.000 0.814 511 A HN 0.916 nan 8.150 nan 0.000 0.446 512 K N -0.101 120.132 120.400 -0.279 0.000 2.209 512 K HA -0.047 3.704 4.320 -0.947 0.000 0.204 512 K C 1.778 178.092 176.600 -0.476 0.000 1.048 512 K CA 1.299 57.245 56.287 -0.568 0.000 0.940 512 K CB -0.144 31.684 32.500 -1.120 0.000 0.729 512 K HN 0.364 nan 8.250 nan 0.000 0.451 513 S N 1.157 116.770 115.700 -0.144 0.000 2.607 513 S HA -0.023 3.879 4.470 -0.947 0.000 0.224 513 S C 1.066 175.705 174.600 0.065 0.000 0.969 513 S CA 0.470 58.739 58.200 0.115 0.000 0.927 513 S CB -0.064 63.211 63.200 0.124 0.000 0.772 513 S HN 0.297 nan 8.310 nan 0.000 0.533 514 E N 1.698 121.890 120.200 -0.012 0.000 2.265 514 E HA -0.049 3.733 4.350 -0.947 0.000 0.196 514 E C 0.833 177.461 176.600 0.046 0.000 0.996 514 E CA 0.245 56.650 56.400 0.009 0.000 0.832 514 E CB 0.039 29.721 29.700 -0.030 0.000 0.756 514 E HN 0.334 nan 8.360 nan 0.000 0.491 515 N N 1.155 119.882 118.700 0.045 0.000 2.430 515 N HA 0.008 4.180 4.740 -0.947 0.000 0.265 515 N C -1.893 173.719 175.510 0.170 0.000 1.100 515 N CA -1.534 51.571 53.050 0.090 0.000 0.961 515 N CB 1.203 39.732 38.487 0.071 0.000 1.075 515 N HN -0.155 nan 8.380 nan 0.000 0.478 516 P HA -0.040 nan 4.420 nan 0.000 0.221 516 P C 1.030 178.448 177.300 0.197 0.000 1.150 516 P CA 1.098 64.314 63.100 0.194 0.000 0.800 516 P CB 0.283 32.066 31.700 0.137 0.000 0.787 517 T N -1.221 113.432 114.554 0.165 0.000 2.812 517 T HA -0.152 3.629 4.350 -0.947 0.000 0.264 517 T C 1.690 176.497 174.700 0.179 0.000 1.042 517 T CA 0.958 63.146 62.100 0.147 0.000 1.140 517 T CB -1.041 67.895 68.868 0.113 0.000 0.870 517 T HN 0.064 nan 8.240 nan 0.000 0.445 518 Y N 1.842 122.192 120.300 0.083 0.000 2.181 518 Y HA -0.107 3.874 4.550 -0.948 0.000 0.288 518 Y C 2.728 178.688 175.900 0.099 0.000 1.146 518 Y CA 1.428 59.572 58.100 0.073 0.000 1.164 518 Y CB -0.052 38.436 38.460 0.047 0.000 0.982 518 Y HN -0.047 nan 8.280 nan 0.000 0.515 519 R N 0.627 121.332 120.500 0.343 0.000 2.075 519 R HA -0.190 3.581 4.340 -0.947 0.000 0.232 519 R C 2.425 178.940 176.300 0.359 0.000 1.126 519 R CA 1.740 58.023 56.100 0.305 0.000 0.963 519 R CB -0.248 30.265 30.300 0.356 0.000 0.858 519 R HN 0.302 nan 8.270 nan 0.000 0.435 520 K N 0.004 120.627 120.400 0.371 0.000 2.044 520 K HA -0.178 3.574 4.320 -0.947 0.000 0.210 520 K C 1.886 178.624 176.600 0.230 0.000 1.049 520 K CA 1.758 58.257 56.287 0.353 0.000 0.927 520 K CB -0.223 32.406 32.500 0.214 0.000 0.713 520 K HN 0.249 nan 8.250 nan 0.000 0.443 521 A N 0.724 123.595 122.820 0.086 0.000 1.933 521 A HA -0.104 3.647 4.320 -0.947 0.000 0.218 521 A C 2.296 179.856 177.584 -0.041 0.000 1.175 521 A CA 1.895 53.925 52.037 -0.011 0.000 0.628 521 A CB -0.787 18.142 19.000 -0.119 0.000 0.814 521 A HN 0.513 nan 8.150 nan 0.000 0.444 522 A N -1.380 121.377 122.820 -0.105 0.000 1.898 522 A HA 0.049 3.800 4.320 -0.947 0.000 0.216 522 A C 1.934 179.515 177.584 -0.005 0.000 1.181 522 A CA 1.392 53.353 52.037 -0.126 0.000 0.620 522 A CB -0.665 18.219 19.000 -0.193 0.000 0.819 522 A HN 0.439 nan 8.150 nan 0.000 0.442 523 F N -0.255 119.725 119.950 0.049 0.000 2.146 523 F HA -0.119 3.840 4.527 -0.947 0.000 0.298 523 F C 2.457 178.356 175.800 0.165 0.000 1.096 523 F CA 1.469 59.540 58.000 0.118 0.000 1.275 523 F CB -0.381 38.691 39.000 0.120 0.000 1.008 523 F HN 0.028 nan 8.300 nan 0.000 0.480 524 V N 0.117 120.209 119.914 0.297 0.000 2.343 524 V HA -0.308 3.244 4.120 -0.947 0.000 0.247 524 V C 2.441 178.605 176.094 0.117 0.000 1.051 524 V CA 2.045 64.454 62.300 0.180 0.000 1.036 524 V CB -0.584 31.314 31.823 0.125 0.000 0.654 524 V HN 0.264 nan 8.190 nan 0.000 0.451 525 K N -0.583 119.872 120.400 0.091 0.000 2.026 525 K HA -0.259 3.492 4.320 -0.947 0.000 0.208 525 K C 2.307 178.953 176.600 0.078 0.000 1.048 525 K CA 2.058 58.377 56.287 0.054 0.000 0.929 525 K CB -0.431 32.080 32.500 0.018 0.000 0.713 525 K HN 0.504 nan 8.250 nan 0.000 0.439 526 Y N 1.938 122.238 120.300 0.001 0.000 2.114 526 Y HA -0.295 3.686 4.550 -0.948 0.000 0.282 526 Y C 2.062 177.970 175.900 0.014 0.000 1.165 526 Y CA 2.156 60.257 58.100 0.002 0.000 1.148 526 Y CB -0.431 38.021 38.460 -0.014 0.000 0.972 526 Y HN 0.230 nan 8.280 nan 0.000 0.504 527 Q N -0.018 119.687 119.800 -0.158 0.000 2.084 527 Q HA -0.206 3.566 4.340 -0.947 0.000 0.202 527 Q C 2.172 178.061 176.000 -0.185 0.000 0.978 527 Q CA 2.026 57.683 55.803 -0.242 0.000 0.844 527 Q CB -0.179 28.559 28.738 0.001 0.000 0.898 527 Q HN 0.654 nan 8.270 nan 0.000 0.426 528 E N 0.540 120.686 120.200 -0.090 0.000 2.047 528 E HA -0.178 3.604 4.350 -0.947 0.000 0.191 528 E C 1.595 178.130 176.600 -0.109 0.000 0.987 528 E CA 1.139 57.493 56.400 -0.077 0.000 0.799 528 E CB 0.044 29.723 29.700 -0.035 0.000 0.752 528 E HN 0.311 nan 8.360 nan 0.000 0.449 529 D N 0.275 120.608 120.400 -0.111 0.000 2.144 529 D HA -0.134 3.938 4.640 -0.947 0.000 0.199 529 D C 1.908 178.091 176.300 -0.196 0.000 0.984 529 D CA 0.936 54.868 54.000 -0.112 0.000 0.834 529 D CB -0.072 40.700 40.800 -0.047 0.000 0.955 529 D HN 0.109 nan 8.370 nan 0.000 0.465 530 M N 0.644 120.061 119.600 -0.306 0.000 2.117 530 M HA -0.116 3.796 4.480 -0.947 0.000 0.262 530 M C 1.644 177.763 176.300 -0.302 0.000 1.065 530 M CA 1.021 56.086 55.300 -0.392 0.000 1.114 530 M CB -0.899 31.338 32.600 -0.605 0.000 1.361 530 M HN -0.002 nan 8.290 nan 0.000 0.408 531 N N 0.519 119.099 118.700 -0.200 0.000 2.120 531 N HA -0.159 4.013 4.740 -0.947 0.000 0.188 531 N C 1.654 177.153 175.510 -0.019 0.000 1.024 531 N CA 1.137 54.156 53.050 -0.051 0.000 0.852 531 N CB -0.426 38.033 38.487 -0.047 0.000 1.003 531 N HN 0.413 nan 8.380 nan 0.000 0.424 532 K N 1.078 121.422 120.400 -0.093 0.000 2.025 532 K HA -0.072 3.680 4.320 -0.947 0.000 0.207 532 K C 1.476 177.981 176.600 -0.158 0.000 1.049 532 K CA 1.020 57.260 56.287 -0.079 0.000 0.933 532 K CB 0.155 32.609 32.500 -0.077 0.000 0.714 532 K HN -0.049 nan 8.250 nan 0.000 0.438 533 K N -0.113 120.104 120.400 -0.304 0.000 2.148 533 K HA -0.046 3.706 4.320 -0.947 0.000 0.204 533 K C 1.011 177.193 176.600 -0.696 0.000 1.050 533 K CA 0.999 56.933 56.287 -0.588 0.000 0.942 533 K CB -0.215 31.764 32.500 -0.868 0.000 0.724 533 K HN 0.380 nan 8.250 nan 0.000 0.446 534 A N 0.604 123.130 122.820 -0.490 0.000 2.872 534 A HA -0.216 3.536 4.320 -0.947 0.000 0.273 534 A C 0.626 178.068 177.584 -0.237 0.000 1.442 534 A CA 1.047 52.889 52.037 -0.325 0.000 0.801 534 A CB -2.545 16.327 19.000 -0.213 0.000 1.031 534 A HN 0.317 nan 8.150 nan 0.000 0.582 535 Y N -0.957 119.206 120.300 -0.229 0.000 2.274 535 Y HA 0.170 4.151 4.550 -0.948 0.000 0.290 535 Y C 1.561 177.401 175.900 -0.101 0.000 1.145 535 Y CA 1.633 59.630 58.100 -0.172 0.000 1.203 535 Y CB -0.371 37.693 38.460 -0.661 0.000 0.984 535 Y HN 0.990 nan 8.280 nan 0.000 0.533 536 V N -2.276 117.528 119.914 -0.183 0.000 2.962 536 V HA 0.598 4.149 4.120 -0.947 0.000 0.313 536 V C -0.800 175.055 176.094 -0.399 0.000 1.099 536 V CA -1.401 60.692 62.300 -0.345 0.000 0.971 536 V CB 2.946 34.526 31.823 -0.404 0.000 1.028 536 V HN -0.120 nan 8.190 nan 0.000 0.430 537 I N 2.645 122.952 120.570 -0.437 0.000 2.439 537 I HA 0.504 4.106 4.170 -0.947 0.000 0.285 537 I C -2.714 173.245 176.117 -0.264 0.000 1.021 537 I CA -2.146 58.906 61.300 -0.413 0.000 1.091 537 I CB 1.776 39.445 38.000 -0.552 0.000 1.242 537 I HN 0.499 nan 8.210 nan 0.000 0.439 538 P HA 0.156 nan 4.420 nan 0.000 0.265 538 P C 0.347 177.571 177.300 -0.127 0.000 1.193 538 P CA 0.308 63.335 63.100 -0.122 0.000 0.765 538 P CB 1.011 32.653 31.700 -0.097 0.000 0.823 539 T N 1.046 115.534 114.554 -0.109 0.000 3.348 539 T HA 0.125 3.907 4.350 -0.947 0.000 0.233 539 T C 0.258 174.895 174.700 -0.106 0.000 0.960 539 T CA 0.499 62.551 62.100 -0.079 0.000 1.343 539 T CB -0.243 68.619 68.868 -0.010 0.000 1.068 539 T HN 0.393 nan 8.240 nan 0.000 0.410 540 N N -0.289 118.375 118.700 -0.059 0.000 2.262 540 N HA 0.589 4.761 4.740 -0.947 0.000 0.295 540 N C -1.677 173.849 175.510 0.027 0.000 1.161 540 N CA -0.648 52.383 53.050 -0.032 0.000 0.767 540 N CB 1.853 40.427 38.487 0.144 0.000 1.499 540 N HN 0.026 nan 8.380 nan 0.000 0.476 541 F N 1.238 121.330 119.950 0.236 0.000 2.411 541 F HA 0.570 4.529 4.527 -0.947 0.000 0.324 541 F C 0.472 176.393 175.800 0.202 0.000 1.086 541 F CA -0.970 57.200 58.000 0.283 0.000 1.028 541 F CB 0.861 39.978 39.000 0.195 0.000 1.284 541 F HN 0.284 nan 8.300 nan 0.000 0.501 542 M N 1.718 121.519 119.600 0.335 0.000 2.446 542 M HA 0.676 4.588 4.480 -0.947 0.000 0.294 542 M C -2.302 174.001 176.300 0.005 0.000 1.158 542 M CA -0.562 54.742 55.300 0.006 0.000 0.899 542 M CB 2.345 34.673 32.600 -0.454 0.000 1.687 542 M HN 0.412 nan 8.290 nan 0.000 0.455 543 L N 3.385 124.587 121.223 -0.036 0.000 2.295 543 L HA 0.512 4.284 4.340 -0.947 0.000 0.285 543 L C -0.321 176.466 176.870 -0.138 0.000 1.035 543 L CA -0.807 53.984 54.840 -0.082 0.000 0.806 543 L CB 1.303 43.302 42.059 -0.100 0.000 1.214 543 L HN 0.741 nan 8.230 nan 0.000 0.426 544 N N 2.077 120.691 118.700 -0.143 0.000 2.498 544 N HA 0.339 4.511 4.740 -0.947 0.000 0.287 544 N C -0.968 174.416 175.510 -0.210 0.000 1.097 544 N CA -0.282 52.674 53.050 -0.158 0.000 0.973 544 N CB 1.652 40.066 38.487 -0.121 0.000 1.153 544 N HN 0.430 nan 8.380 nan 0.000 0.472 545 Y N -1.721 118.405 120.300 -0.290 0.000 2.524 545 Y HA 0.730 4.717 4.550 -0.939 0.000 0.344 545 Y C -0.726 175.082 175.900 -0.153 0.000 1.012 545 Y CA -0.841 57.076 58.100 -0.306 0.000 1.068 545 Y CB 1.461 39.758 38.460 -0.272 0.000 1.249 545 Y HN 0.208 nan 8.280 nan 0.000 0.468 546 T N 4.603 119.162 114.554 0.009 0.000 3.170 546 T HA 0.338 4.120 4.350 -0.947 0.000 0.315 546 T C -3.134 171.614 174.700 0.080 0.000 0.967 546 T CA -1.305 60.769 62.100 -0.043 0.000 1.024 546 T CB 1.622 70.451 68.868 -0.065 0.000 1.018 546 T HN 0.479 nan 8.240 nan 0.000 0.449 547 P HA 0.424 nan 4.420 nan 0.000 0.276 547 P C -0.973 176.434 177.300 0.179 0.000 1.230 547 P CA -0.390 62.777 63.100 0.112 0.000 0.776 547 P CB 1.022 32.694 31.700 -0.047 0.000 0.888 548 V N 3.416 123.468 119.914 0.231 0.000 2.525 548 V HA 0.247 3.799 4.120 -0.947 0.000 0.299 548 V C 0.522 176.641 176.094 0.041 0.000 1.034 548 V CA -0.948 61.442 62.300 0.150 0.000 0.863 548 V CB 1.578 33.435 31.823 0.056 0.000 0.999 548 V HN 0.611 nan 8.190 nan 0.000 0.423 549 N N 3.612 122.274 118.700 -0.063 0.000 2.458 549 N HA 0.050 4.222 4.740 -0.947 0.000 0.258 549 N C 0.968 176.336 175.510 -0.237 0.000 1.219 549 N CA 0.177 52.950 53.050 -0.463 0.000 0.902 549 N CB 0.967 39.252 38.487 -0.336 0.000 1.076 549 N HN 0.634 nan 8.380 nan 0.000 0.455 550 K N 2.136 122.363 120.400 -0.288 0.000 2.442 550 K HA -0.133 3.619 4.320 -0.947 0.000 0.198 550 K C 1.638 178.327 176.600 0.149 0.000 1.044 550 K CA 0.754 56.990 56.287 -0.085 0.000 0.948 550 K CB 0.077 32.514 32.500 -0.104 0.000 0.762 550 K HN 0.608 nan 8.250 nan 0.000 0.472 551 R N 0.224 120.746 120.500 0.038 0.000 2.276 551 R HA 0.038 3.810 4.340 -0.947 0.000 0.203 551 R C 0.189 176.533 176.300 0.074 0.000 1.017 551 R CA 0.179 56.308 56.100 0.048 0.000 1.010 551 R CB -0.066 30.232 30.300 -0.002 0.000 0.900 551 R HN -0.158 nan 8.270 nan 0.000 0.469 552 V N 2.180 122.174 119.914 0.134 0.000 2.583 552 V HA 0.171 3.723 4.120 -0.947 0.000 0.287 552 V C 0.065 176.185 176.094 0.043 0.000 1.051 552 V CA -0.435 61.922 62.300 0.095 0.000 1.010 552 V CB 1.642 33.532 31.823 0.112 0.000 0.988 552 V HN 0.005 nan 8.190 nan 0.000 0.478 553 V N 3.432 123.328 119.914 -0.031 0.000 2.555 553 V HA 0.779 4.331 4.120 -0.947 0.000 0.302 553 V C 0.902 176.939 176.094 -0.095 0.000 1.038 553 V CA 0.427 62.661 62.300 -0.110 0.000 0.887 553 V CB 1.015 32.788 31.823 -0.084 0.000 0.991 553 V HN 1.152 nan 8.190 nan 0.000 0.434 554 G N 4.056 112.776 108.800 -0.133 0.000 2.157 554 G HA2 -0.239 3.152 3.960 -0.947 0.000 0.248 554 G HA3 -0.239 3.152 3.960 -0.947 0.000 0.248 554 G C -0.087 174.744 174.900 -0.116 0.000 0.979 554 G CA 0.291 45.325 45.100 -0.111 0.000 0.650 554 G HN 0.704 nan 8.290 nan 0.000 0.529 555 M N 1.705 121.251 119.600 -0.091 0.000 2.217 555 M HA 0.691 4.603 4.480 -0.947 0.000 0.354 555 M C 0.268 176.523 176.300 -0.075 0.000 1.225 555 M CA 0.270 55.519 55.300 -0.085 0.000 1.137 555 M CB 1.169 33.764 32.600 -0.008 0.000 1.576 555 M HN 0.466 nan 8.290 nan 0.000 0.461 556 T N 4.586 119.064 114.554 -0.127 0.000 2.942 556 T HA 0.499 4.281 4.350 -0.947 0.000 0.327 556 T C -0.136 174.464 174.700 -0.168 0.000 1.360 556 T CA -0.752 61.275 62.100 -0.122 0.000 1.055 556 T CB 0.667 69.459 68.868 -0.127 0.000 1.261 556 T HN 0.684 nan 8.240 nan 0.000 0.485 557 L N 1.936 123.056 121.223 -0.172 0.000 2.628 557 L HA 0.326 4.098 4.340 -0.947 0.000 0.229 557 L C 0.661 177.319 176.870 -0.354 0.000 1.137 557 L CA -0.309 54.383 54.840 -0.247 0.000 0.909 557 L CB 0.003 41.915 42.059 -0.244 0.000 1.137 557 L HN 0.622 nan 8.230 nan 0.000 0.470 558 D N -0.125 120.115 120.400 -0.266 0.000 2.520 558 D HA -0.159 3.913 4.640 -0.947 0.000 0.243 558 D C 0.821 176.973 176.300 -0.245 0.000 1.160 558 D CA 0.470 54.316 54.000 -0.257 0.000 0.877 558 D CB 0.623 41.322 40.800 -0.169 0.000 1.150 558 D HN 0.047 nan 8.370 nan 0.000 0.494 559 Y N 2.019 122.189 120.300 -0.216 0.000 2.497 559 Y HA 0.076 4.053 4.550 -0.955 0.000 0.292 559 Y C 2.431 178.129 175.900 -0.337 0.000 1.137 559 Y CA 1.037 58.954 58.100 -0.304 0.000 1.285 559 Y CB -0.034 38.097 38.460 -0.549 0.000 0.991 559 Y HN 0.574 nan 8.280 nan 0.000 0.556 560 G N -0.619 108.094 108.800 -0.145 0.000 2.985 560 G HA2 0.198 3.590 3.960 -0.947 0.000 0.209 560 G HA3 0.198 3.590 3.960 -0.947 0.000 0.209 560 G C 0.498 175.309 174.900 -0.148 0.000 1.165 560 G CA 0.286 45.296 45.100 -0.149 0.000 0.776 560 G HN 0.332 nan 8.290 nan 0.000 0.541 561 A N 0.821 123.549 122.820 -0.153 0.000 2.350 561 A HA 0.611 4.363 4.320 -0.947 0.000 0.293 561 A C 1.144 178.598 177.584 -0.217 0.000 1.231 561 A CA -0.239 51.694 52.037 -0.172 0.000 0.883 561 A CB 0.310 19.207 19.000 -0.172 0.000 1.133 561 A HN 0.136 nan 8.150 nan 0.000 0.533 562 M N 1.348 120.761 119.600 -0.311 0.000 2.465 562 M HA 0.105 4.017 4.480 -0.947 0.000 0.249 562 M C 0.382 176.480 176.300 -0.337 0.000 1.130 562 M CA 0.621 55.597 55.300 -0.539 0.000 1.067 562 M CB -0.332 31.459 32.600 -1.347 0.000 1.394 562 M HN 0.705 nan 8.290 nan 0.000 0.483 563 N N -0.169 118.426 118.700 -0.175 0.000 2.291 563 N HA 0.138 4.310 4.740 -0.947 0.000 0.244 563 N C 0.780 176.254 175.510 -0.061 0.000 1.216 563 N CA 0.141 53.176 53.050 -0.025 0.000 0.879 563 N CB 0.672 39.182 38.487 0.038 0.000 1.167 563 N HN 0.123 nan 8.380 nan 0.000 0.515 564 T N -0.555 113.886 114.554 -0.190 0.000 2.788 564 T HA -0.113 3.669 4.350 -0.947 0.000 0.268 564 T C 1.464 176.005 174.700 -0.265 0.000 1.044 564 T CA 1.176 63.089 62.100 -0.311 0.000 1.139 564 T CB -0.121 68.436 68.868 -0.519 0.000 0.867 564 T HN 0.442 nan 8.240 nan 0.000 0.454 565 W N 1.388 122.680 121.300 -0.014 0.000 2.425 565 W HA -0.020 4.100 4.660 -0.899 0.000 0.277 565 W C 2.771 179.362 176.519 0.119 0.000 1.231 565 W CA 0.222 57.576 57.345 0.015 0.000 1.248 565 W CB -0.284 29.171 29.460 -0.008 0.000 1.117 565 W HN 0.140 nan 8.180 nan 0.000 0.568 566 S N -0.071 115.765 115.700 0.227 0.000 2.425 566 S HA -0.097 3.804 4.470 -0.947 0.000 0.225 566 S C 1.364 176.020 174.600 0.093 0.000 1.024 566 S CA 1.010 59.289 58.200 0.133 0.000 0.951 566 S CB -0.143 63.102 63.200 0.076 0.000 0.796 566 S HN 0.334 nan 8.310 nan 0.000 0.498 567 E N 0.609 120.838 120.200 0.048 0.000 2.170 567 E HA 0.164 3.946 4.350 -0.947 0.000 0.191 567 E C 0.650 177.251 176.600 0.003 0.000 0.981 567 E CA -0.027 56.378 56.400 0.009 0.000 0.830 567 E CB 0.136 29.818 29.700 -0.031 0.000 0.775 567 E HN 0.416 nan 8.360 nan 0.000 0.470 568 I N 0.806 121.376 120.570 0.001 0.000 2.754 568 I HA 0.121 3.723 4.170 -0.947 0.000 0.285 568 I C 0.371 176.511 176.117 0.037 0.000 1.166 568 I CA 0.318 61.610 61.300 -0.013 0.000 1.417 568 I CB 0.527 38.492 38.000 -0.058 0.000 1.382 568 I HN 0.013 nan 8.210 nan 0.000 0.588 569 G N 5.627 114.436 108.800 0.016 0.000 2.749 569 G HA2 0.610 4.001 3.960 -0.947 0.000 0.300 569 G HA3 0.610 4.001 3.960 -0.947 0.000 0.300 569 G C -1.380 173.532 174.900 0.019 0.000 1.352 569 G CA -0.136 44.982 45.100 0.030 0.000 0.789 569 G HN 0.770 nan 8.290 nan 0.000 0.509 570 V N -2.064 117.862 119.914 0.020 0.000 2.789 570 V HA 0.723 4.275 4.120 -0.947 0.000 0.311 570 V C 0.868 176.965 176.094 0.006 0.000 1.073 570 V CA 0.286 62.595 62.300 0.015 0.000 0.921 570 V CB 1.430 33.266 31.823 0.022 0.000 1.009 570 V HN 1.288 nan 8.190 nan 0.000 0.426 571 S N 1.451 117.152 115.700 0.001 0.000 2.496 571 S HA 0.213 4.115 4.470 -0.947 0.000 0.224 571 S C 0.747 175.346 174.600 -0.002 0.000 0.996 571 S CA 0.449 58.646 58.200 -0.006 0.000 0.927 571 S CB -0.482 62.712 63.200 -0.010 0.000 0.774 571 S HN 1.857 nan 8.310 nan 0.000 0.524 572 S N -0.160 115.541 115.700 0.002 0.000 2.537 572 S HA 0.814 4.716 4.470 -0.947 0.000 0.271 572 S C -0.450 174.152 174.600 0.004 0.000 1.148 572 S CA -0.627 57.574 58.200 0.001 0.000 0.868 572 S CB 1.201 64.400 63.200 -0.003 0.000 1.115 572 S HN 0.571 nan 8.310 nan 0.000 0.461 573 A N 0.000 122.824 122.820 0.006 0.000 2.254 573 A HA 0.000 3.752 4.320 -0.947 0.000 0.244 573 A CA 0.000 52.043 52.037 0.009 0.000 0.836 573 A CB 0.000 19.007 19.000 0.012 0.000 0.831 573 A HN 0.000 nan 8.150 nan 0.000 0.486