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 3b78_1_A DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.863 176.094 -0.384 0.000 1.182 2 V CA 0.000 62.154 62.300 -0.243 0.000 1.235 2 V CB 0.000 31.657 31.823 -0.277 0.000 1.184 3 A N 6.708 129.273 122.820 -0.425 0.000 2.366 3 A HA 0.905 5.229 4.320 0.006 0.000 0.272 3 A C -1.040 176.211 177.584 -0.555 0.000 1.135 3 A CA -0.026 51.806 52.037 -0.341 0.000 0.804 3 A CB 0.320 19.196 19.000 -0.206 0.000 1.064 3 A HN 0.919 nan 8.150 nan 0.000 0.499 4 F N 0.052 119.959 119.950 -0.072 0.000 2.603 4 F HA 0.569 5.100 4.527 0.005 0.000 0.317 4 F C 0.953 176.719 175.800 -0.058 0.000 1.066 4 F CA -0.212 57.739 58.000 -0.082 0.000 0.941 4 F CB 2.363 41.305 39.000 -0.098 0.000 1.291 4 F HN 0.690 nan 8.300 nan 0.000 0.472 5 T N -1.815 112.849 114.554 0.183 0.000 2.881 5 T HA 0.400 4.754 4.350 0.006 0.000 0.278 5 T C 0.912 175.648 174.700 0.060 0.000 0.982 5 T CA -0.682 61.467 62.100 0.081 0.000 0.989 5 T CB 1.235 70.131 68.868 0.047 0.000 1.058 5 T HN 0.301 nan 8.240 nan 0.000 0.529 6 V N 1.257 121.188 119.914 0.030 0.000 2.469 6 V HA -0.141 3.982 4.120 0.006 0.000 0.251 6 V C 2.322 178.413 176.094 -0.006 0.000 1.064 6 V CA 1.950 64.258 62.300 0.012 0.000 1.066 6 V CB -0.923 30.904 31.823 0.007 0.000 0.667 6 V HN 0.839 nan 8.190 nan 0.000 0.461 7 D N -0.006 120.392 120.400 -0.003 0.000 2.084 7 D HA -0.186 4.457 4.640 0.006 0.000 0.194 7 D C 2.328 178.606 176.300 -0.036 0.000 0.990 7 D CA 1.348 55.339 54.000 -0.016 0.000 0.826 7 D CB -0.344 40.452 40.800 -0.007 0.000 0.971 7 D HN 0.511 nan 8.370 nan 0.000 0.453 8 Q N -0.447 119.334 119.800 -0.032 0.000 2.135 8 Q HA -0.114 4.230 4.340 0.006 0.000 0.204 8 Q C 2.196 178.077 176.000 -0.197 0.000 0.981 8 Q CA 0.957 56.700 55.803 -0.100 0.000 0.856 8 Q CB -0.056 28.658 28.738 -0.040 0.000 0.902 8 Q HN 0.237 nan 8.270 nan 0.000 0.425 9 M N 0.078 119.587 119.600 -0.151 0.000 2.086 9 M HA -0.153 4.331 4.480 0.006 0.000 0.261 9 M C 2.171 178.408 176.300 -0.105 0.000 1.067 9 M CA 1.468 56.680 55.300 -0.147 0.000 1.116 9 M CB -0.760 31.802 32.600 -0.064 0.000 1.348 9 M HN 0.069 nan 8.290 nan 0.000 0.407 10 R N 1.167 121.624 120.500 -0.073 0.000 2.081 10 R HA -0.100 4.244 4.340 0.006 0.000 0.235 10 R C 2.349 178.609 176.300 -0.068 0.000 1.131 10 R CA 2.373 58.437 56.100 -0.059 0.000 0.960 10 R CB -0.904 29.370 30.300 -0.043 0.000 0.856 10 R HN 0.498 nan 8.270 nan 0.000 0.436 11 S N -0.374 115.280 115.700 -0.077 0.000 2.419 11 S HA -0.114 4.359 4.470 0.006 0.000 0.233 11 S C 1.834 176.379 174.600 -0.092 0.000 1.016 11 S CA 1.068 59.222 58.200 -0.076 0.000 0.974 11 S CB -0.363 62.793 63.200 -0.073 0.000 0.786 11 S HN 0.279 nan 8.310 nan 0.000 0.492 12 L N 1.022 122.174 121.223 -0.118 0.000 2.131 12 L HA 0.360 4.703 4.340 0.006 0.000 0.206 12 L C 2.428 179.245 176.870 -0.087 0.000 1.087 12 L CA 1.538 56.306 54.840 -0.119 0.000 0.767 12 L CB -0.682 41.273 42.059 -0.172 0.000 0.917 12 L HN 0.346 nan 8.230 nan 0.000 0.441 13 M N -1.390 118.164 119.600 -0.078 0.000 2.562 13 M HA -0.100 4.383 4.480 0.006 0.000 0.257 13 M C 1.524 177.787 176.300 -0.061 0.000 1.099 13 M CA 0.730 55.993 55.300 -0.062 0.000 1.099 13 M CB -0.311 32.256 32.600 -0.056 0.000 1.427 13 M HN 0.182 nan 8.290 nan 0.000 0.489 14 D N 1.639 122.001 120.400 -0.063 0.000 2.103 14 D HA -0.054 4.589 4.640 0.006 0.000 0.199 14 D C 0.308 176.572 176.300 -0.060 0.000 0.978 14 D CA 0.967 54.933 54.000 -0.057 0.000 0.829 14 D CB 0.253 41.021 40.800 -0.054 0.000 0.981 14 D HN 0.246 nan 8.370 nan 0.000 0.464 15 K N 0.961 121.318 120.400 -0.072 0.000 2.127 15 K HA 0.112 4.436 4.320 0.006 0.000 0.261 15 K C 0.683 177.238 176.600 -0.074 0.000 1.129 15 K CA -0.281 55.958 56.287 -0.080 0.000 0.993 15 K CB 1.660 34.094 32.500 -0.110 0.000 1.410 15 K HN -0.110 nan 8.250 nan 0.000 0.380 16 V N 2.385 122.264 119.914 -0.057 0.000 3.461 16 V HA -0.152 3.971 4.120 0.006 0.000 0.267 16 V C 1.842 177.918 176.094 -0.031 0.000 1.186 16 V CA 1.797 64.068 62.300 -0.047 0.000 1.154 16 V CB -0.412 31.380 31.823 -0.051 0.000 0.802 16 V HN 0.840 nan 8.190 nan 0.000 0.474 17 T N -1.973 112.561 114.554 -0.033 0.000 2.995 17 T HA -0.057 4.296 4.350 0.006 0.000 0.269 17 T C 1.148 175.867 174.700 0.031 0.000 1.091 17 T CA 1.202 63.298 62.100 -0.007 0.000 1.128 17 T CB -0.389 68.470 68.868 -0.015 0.000 0.891 17 T HN 0.460 nan 8.240 nan 0.000 0.492 18 N N 0.956 119.641 118.700 -0.026 0.000 2.320 18 N HA 0.350 5.093 4.740 0.006 0.000 0.237 18 N C -0.993 174.586 175.510 0.115 0.000 1.129 18 N CA -0.156 52.881 53.050 -0.020 0.000 0.854 18 N CB 0.764 38.955 38.487 -0.493 0.000 1.083 18 N HN 0.289 nan 8.380 nan 0.000 0.504 19 V N 0.892 120.858 119.914 0.086 0.000 2.581 19 V HA 0.491 4.615 4.120 0.006 0.000 0.303 19 V C -0.020 176.117 176.094 0.071 0.000 1.041 19 V CA -0.818 61.522 62.300 0.067 0.000 0.907 19 V CB 2.067 33.893 31.823 0.006 0.000 0.994 19 V HN 0.068 nan 8.190 nan 0.000 0.442 20 R N 3.148 123.684 120.500 0.061 0.000 2.412 20 R HA 0.403 4.746 4.340 0.006 0.000 0.304 20 R C -1.037 175.278 176.300 0.025 0.000 1.066 20 R CA -0.567 55.556 56.100 0.037 0.000 0.923 20 R CB 1.056 31.372 30.300 0.026 0.000 1.156 20 R HN 0.585 nan 8.270 nan 0.000 0.513 21 N N 4.319 123.027 118.700 0.012 0.000 2.420 21 N HA 0.327 5.070 4.740 0.006 0.000 0.249 21 N C -0.030 175.495 175.510 0.025 0.000 1.033 21 N CA -0.247 52.811 53.050 0.013 0.000 0.944 21 N CB 1.187 39.664 38.487 -0.017 0.000 1.113 21 N HN 0.404 nan 8.380 nan 0.000 0.502 22 M N -0.817 118.803 119.600 0.034 0.000 2.683 22 M HA 0.651 5.135 4.480 0.006 0.000 0.274 22 M C -0.346 175.975 176.300 0.036 0.000 1.272 22 M CA -1.029 54.289 55.300 0.030 0.000 0.833 22 M CB 1.357 33.966 32.600 0.016 0.000 1.708 22 M HN 0.209 nan 8.290 nan 0.000 0.463 23 S N -0.589 115.127 115.700 0.026 0.000 2.697 23 S HA 0.956 5.430 4.470 0.006 0.000 0.289 23 S C -1.256 173.348 174.600 0.007 0.000 1.149 23 S CA -0.868 57.346 58.200 0.024 0.000 0.850 23 S CB 1.749 64.970 63.200 0.035 0.000 1.151 23 S HN 0.847 nan 8.310 nan 0.000 0.491 24 V N 1.607 121.524 119.914 0.004 0.000 2.357 24 V HA 0.442 4.565 4.120 0.006 0.000 0.284 24 V C -0.656 175.436 176.094 -0.003 0.000 1.018 24 V CA -0.552 61.745 62.300 -0.006 0.000 0.841 24 V CB 0.876 32.695 31.823 -0.007 0.000 0.991 24 V HN 0.788 nan 8.190 nan 0.000 0.437 25 I N 5.091 125.655 120.570 -0.010 0.000 2.307 25 I HA 0.719 4.893 4.170 0.006 0.000 0.287 25 I C 0.324 176.447 176.117 0.010 0.000 1.054 25 I CA 0.076 61.373 61.300 -0.005 0.000 1.218 25 I CB 0.927 38.915 38.000 -0.020 0.000 1.398 25 I HN 0.728 nan 8.210 nan 0.000 0.475 26 A N 5.474 128.312 122.820 0.030 0.000 2.604 26 A HA 0.406 4.729 4.320 0.006 0.000 0.295 26 A C -1.214 176.424 177.584 0.089 0.000 1.067 26 A CA -0.610 51.473 52.037 0.077 0.000 0.683 26 A CB 1.357 20.396 19.000 0.065 0.000 1.281 26 A HN 0.667 nan 8.150 nan 0.000 0.407 27 H N 1.685 120.786 119.070 0.052 0.000 2.683 27 H HA 0.229 4.789 4.556 0.007 0.000 0.339 27 H C 1.197 176.491 175.328 -0.057 0.000 1.081 27 H CA 0.773 56.792 56.048 -0.048 0.000 1.432 27 H CB 1.554 31.192 29.762 -0.206 0.000 1.462 27 H HN 0.340 nan 8.280 nan 0.000 0.557 28 V N 4.460 124.204 119.914 -0.282 0.000 2.380 28 V HA -0.288 3.835 4.120 0.006 0.000 0.251 28 V C 1.555 177.663 176.094 0.023 0.000 1.063 28 V CA 2.229 64.463 62.300 -0.110 0.000 1.055 28 V CB -0.250 31.486 31.823 -0.145 0.000 0.657 28 V HN 0.745 nan 8.190 nan 0.000 0.455 29 D N -1.436 119.063 120.400 0.165 0.000 2.348 29 D HA -0.057 4.587 4.640 0.006 0.000 0.216 29 D C 1.369 177.715 176.300 0.077 0.000 0.970 29 D CA 0.789 54.857 54.000 0.113 0.000 0.889 29 D CB -0.299 40.557 40.800 0.093 0.000 0.912 29 D HN 0.641 nan 8.370 nan 0.000 0.524 30 H N -0.883 118.281 119.070 0.158 0.000 2.605 30 H HA 0.340 4.899 4.556 0.006 0.000 0.308 30 H C 0.987 176.336 175.328 0.035 0.000 1.080 30 H CA -0.234 55.857 56.048 0.072 0.000 1.119 30 H CB 0.244 30.044 29.762 0.062 0.000 1.479 30 H HN 0.021 nan 8.280 nan 0.000 0.537 31 G N 2.130 111.005 108.800 0.125 0.000 2.295 31 G HA2 -0.384 3.579 3.960 0.006 0.000 0.287 31 G HA3 -0.384 3.579 3.960 0.006 0.000 0.287 31 G C 1.159 176.083 174.900 0.040 0.000 1.055 31 G CA 0.810 45.946 45.100 0.059 0.000 0.922 31 G HN 0.543 nan 8.290 nan 0.000 0.503 32 K N 0.393 120.819 120.400 0.044 0.000 2.002 32 K HA -0.145 4.178 4.320 0.006 0.000 0.209 32 K C 2.894 179.496 176.600 0.004 0.000 1.048 32 K CA 2.191 58.492 56.287 0.023 0.000 0.930 32 K CB -0.341 32.167 32.500 0.015 0.000 0.714 32 K HN 0.747 nan 8.250 nan 0.000 0.438 33 S N -0.215 115.485 115.700 -0.000 0.000 2.402 33 S HA -0.107 4.366 4.470 0.006 0.000 0.229 33 S C 1.899 176.497 174.600 -0.003 0.000 1.021 33 S CA 1.594 59.790 58.200 -0.006 0.000 0.974 33 S CB -0.663 62.530 63.200 -0.012 0.000 0.800 33 S HN 0.369 nan 8.310 nan 0.000 0.484 34 T N 3.301 117.854 114.554 -0.001 0.000 2.674 34 T HA 0.075 4.428 4.350 0.006 0.000 0.265 34 T C 1.749 176.445 174.700 -0.006 0.000 1.039 34 T CA 1.506 63.604 62.100 -0.004 0.000 1.150 34 T CB -0.592 68.272 68.868 -0.007 0.000 0.864 34 T HN 0.300 nan 8.240 nan 0.000 0.427 35 L N 0.791 122.007 121.223 -0.012 0.000 2.131 35 L HA -0.106 4.237 4.340 0.006 0.000 0.210 35 L C 2.863 179.728 176.870 -0.008 0.000 1.092 35 L CA 1.109 55.938 54.840 -0.018 0.000 0.759 35 L CB -0.984 41.055 42.059 -0.033 0.000 0.903 35 L HN 0.334 nan 8.230 nan 0.000 0.435 36 T N -1.136 113.416 114.554 -0.004 0.000 2.821 36 T HA -0.156 4.197 4.350 0.006 0.000 0.267 36 T C 1.401 176.107 174.700 0.010 0.000 1.046 36 T CA 1.254 63.355 62.100 0.002 0.000 1.139 36 T CB -0.178 68.689 68.868 -0.001 0.000 0.871 36 T HN 0.315 nan 8.240 nan 0.000 0.454 37 D N 1.156 121.561 120.400 0.009 0.000 2.117 37 D HA -0.025 4.619 4.640 0.006 0.000 0.198 37 D C 2.422 178.737 176.300 0.024 0.000 0.982 37 D CA 0.861 54.871 54.000 0.016 0.000 0.828 37 D CB -0.364 40.443 40.800 0.013 0.000 0.967 37 D HN 0.252 nan 8.370 nan 0.000 0.464 38 S N 0.461 116.174 115.700 0.021 0.000 2.383 38 S HA -0.093 4.380 4.470 0.006 0.000 0.229 38 S C 2.181 176.800 174.600 0.033 0.000 1.030 38 S CA 0.564 58.782 58.200 0.029 0.000 1.002 38 S CB -0.165 63.049 63.200 0.023 0.000 0.829 38 S HN 0.256 nan 8.310 nan 0.000 0.467 39 L N 1.195 122.434 121.223 0.027 0.000 2.072 39 L HA -0.058 4.286 4.340 0.006 0.000 0.205 39 L C 2.568 179.467 176.870 0.048 0.000 1.079 39 L CA 1.114 55.974 54.840 0.033 0.000 0.752 39 L CB -0.726 41.347 42.059 0.024 0.000 0.906 39 L HN 0.347 nan 8.230 nan 0.000 0.436 40 V N -2.844 117.098 119.914 0.047 0.000 2.667 40 V HA -0.222 3.901 4.120 0.006 0.000 0.252 40 V C 2.048 178.178 176.094 0.060 0.000 1.065 40 V CA 1.434 63.769 62.300 0.059 0.000 1.083 40 V CB -0.570 31.285 31.823 0.053 0.000 0.692 40 V HN 0.520 nan 8.190 nan 0.000 0.468 41 Q N 0.093 119.924 119.800 0.050 0.000 2.435 41 Q HA -0.089 4.254 4.340 0.006 0.000 0.207 41 Q C 2.252 178.283 176.000 0.052 0.000 0.956 41 Q CA 1.199 57.031 55.803 0.048 0.000 0.917 41 Q CB 0.155 28.918 28.738 0.043 0.000 0.997 41 Q HN 0.746 nan 8.270 nan 0.000 0.497 42 R N -1.007 119.528 120.500 0.058 0.000 2.102 42 R HA 0.202 4.545 4.340 0.006 0.000 0.208 42 R C 1.057 177.407 176.300 0.084 0.000 1.131 42 R CA 1.296 57.434 56.100 0.063 0.000 1.054 42 R CB -0.029 30.305 30.300 0.057 0.000 0.954 42 R HN 0.068 nan 8.270 nan 0.000 0.465 43 A N 0.017 122.895 122.820 0.096 0.000 2.545 43 A HA 0.435 4.759 4.320 0.006 0.000 0.263 43 A C 0.552 178.235 177.584 0.165 0.000 1.202 43 A CA -0.026 52.098 52.037 0.144 0.000 0.959 43 A CB 0.192 19.268 19.000 0.126 0.000 1.124 43 A HN 0.369 nan 8.150 nan 0.000 0.543 44 G N 0.449 109.322 108.800 0.122 0.000 2.305 44 G HA2 0.384 4.347 3.960 0.006 0.000 0.243 44 G HA3 0.384 4.347 3.960 0.006 0.000 0.243 44 G C -0.109 174.876 174.900 0.142 0.000 1.288 44 G CA 0.051 45.224 45.100 0.122 0.000 0.901 44 G HN 0.362 nan 8.290 nan 0.000 0.516 45 I N 3.243 123.918 120.570 0.175 0.000 2.301 45 I HA 0.219 4.393 4.170 0.006 0.000 0.292 45 I C 0.409 176.613 176.117 0.145 0.000 1.046 45 I CA -0.193 61.233 61.300 0.211 0.000 1.282 45 I CB 0.708 38.886 38.000 0.296 0.000 1.409 45 I HN 0.247 nan 8.210 nan 0.000 0.484 46 I N 4.943 125.557 120.570 0.073 0.000 2.783 46 I HA 0.315 4.488 4.170 0.006 0.000 0.312 46 I C 0.404 176.532 176.117 0.018 0.000 0.988 46 I CA -0.514 60.801 61.300 0.025 0.000 1.182 46 I CB 1.730 39.712 38.000 -0.031 0.000 1.368 46 I HN 0.526 nan 8.210 nan 0.000 0.511 47 S N 2.597 118.285 115.700 -0.021 0.000 2.530 47 S HA 0.765 5.238 4.470 0.006 0.000 0.322 47 S C -0.322 174.245 174.600 -0.055 0.000 1.085 47 S CA -0.803 57.391 58.200 -0.010 0.000 1.096 47 S CB 1.491 64.695 63.200 0.007 0.000 0.988 47 S HN 0.768 nan 8.310 nan 0.000 0.466 68 I N 3.287 123.919 120.570 0.104 0.000 2.337 68 I HA 0.382 4.555 4.170 0.006 0.000 0.291 68 I C 0.710 176.888 176.117 0.102 0.000 1.046 68 I CA -0.194 61.160 61.300 0.090 0.000 1.324 68 I CB 1.304 39.383 38.000 0.132 0.000 1.409 68 I HN 0.513 nan 8.210 nan 0.000 0.494 69 T N 5.208 119.776 114.554 0.023 0.000 2.952 69 T HA 0.831 5.184 4.350 0.006 0.000 0.286 69 T C -0.222 174.414 174.700 -0.106 0.000 1.024 69 T CA -0.722 61.351 62.100 -0.044 0.000 1.029 69 T CB 2.259 71.068 68.868 -0.097 0.000 1.094 69 T HN 0.513 nan 8.240 nan 0.000 0.515 70 I N -2.587 117.897 120.570 -0.143 0.000 3.264 70 I HA 0.619 4.793 4.170 0.006 0.000 0.315 70 I C -0.783 175.246 176.117 -0.146 0.000 1.154 70 I CA -1.664 59.552 61.300 -0.139 0.000 0.962 70 I CB 2.293 40.256 38.000 -0.062 0.000 1.265 70 I HN 0.620 nan 8.210 nan 0.000 0.463 71 K N 2.125 122.455 120.400 -0.116 0.000 2.316 71 K HA 0.204 4.527 4.320 0.006 0.000 0.289 71 K C 0.016 176.544 176.600 -0.121 0.000 1.070 71 K CA -0.091 56.131 56.287 -0.109 0.000 0.928 71 K CB 0.966 33.422 32.500 -0.073 0.000 1.039 71 K HN 0.723 nan 8.250 nan 0.000 0.480 72 S N 3.299 118.919 115.700 -0.134 0.000 2.737 72 S HA -0.040 4.433 4.470 0.006 0.000 0.315 72 S C 0.428 174.936 174.600 -0.152 0.000 1.236 72 S CA 0.279 58.402 58.200 -0.129 0.000 1.093 72 S CB 0.166 63.299 63.200 -0.113 0.000 0.832 72 S HN 0.740 nan 8.310 nan 0.000 0.507 73 T N 3.938 118.371 114.554 -0.202 0.000 2.964 73 T HA 0.523 4.877 4.350 0.006 0.000 0.250 73 T C 0.129 174.624 174.700 -0.341 0.000 0.982 73 T CA 0.432 62.316 62.100 -0.359 0.000 0.959 73 T CB 0.554 69.034 68.868 -0.647 0.000 1.141 73 T HN 0.816 nan 8.240 nan 0.000 0.494 74 A N 0.982 123.701 122.820 -0.169 0.000 2.594 74 A HA 0.804 5.128 4.320 0.006 0.000 0.295 74 A C -1.842 175.770 177.584 0.047 0.000 1.071 74 A CA -0.726 51.306 52.037 -0.009 0.000 0.685 74 A CB 1.150 20.253 19.000 0.171 0.000 1.285 74 A HN 0.284 nan 8.150 nan 0.000 0.405 75 I N 0.859 121.469 120.570 0.067 0.000 2.545 75 I HA 0.422 4.596 4.170 0.006 0.000 0.292 75 I C 0.034 176.210 176.117 0.097 0.000 1.040 75 I CA -0.553 60.794 61.300 0.078 0.000 1.068 75 I CB 2.413 40.449 38.000 0.059 0.000 1.251 75 I HN 0.488 nan 8.210 nan 0.000 0.424 76 S N 5.760 121.529 115.700 0.113 0.000 2.480 76 S HA 0.653 5.127 4.470 0.006 0.000 0.286 76 S C -0.572 174.114 174.600 0.143 0.000 1.180 76 S CA -0.460 57.814 58.200 0.122 0.000 1.075 76 S CB 0.874 64.149 63.200 0.126 0.000 0.996 76 S HN 0.206 nan 8.310 nan 0.000 0.487 77 L N 3.282 124.591 121.223 0.144 0.000 2.362 77 L HA 0.541 4.884 4.340 0.006 0.000 0.271 77 L C -0.871 176.137 176.870 0.230 0.000 1.002 77 L CA -0.662 54.278 54.840 0.167 0.000 0.818 77 L CB 1.288 43.412 42.059 0.108 0.000 1.298 77 L HN 0.702 nan 8.230 nan 0.000 0.420 78 Y N 1.734 122.121 120.300 0.145 0.000 2.350 78 Y HA 0.699 5.252 4.550 0.006 0.000 0.338 78 Y C -0.468 175.526 175.900 0.157 0.000 0.961 78 Y CA -0.280 57.920 58.100 0.167 0.000 1.100 78 Y CB 1.900 40.533 38.460 0.290 0.000 1.179 78 Y HN 0.571 nan 8.280 nan 0.000 0.454 79 S N 4.955 120.370 115.700 -0.475 0.000 2.526 79 S HA 0.480 4.954 4.470 0.006 0.000 0.293 79 S C -1.569 172.760 174.600 -0.452 0.000 1.092 79 S CA -0.645 57.351 58.200 -0.339 0.000 0.980 79 S CB 1.265 64.384 63.200 -0.136 0.000 1.048 79 S HN 0.838 nan 8.310 nan 0.000 0.483 80 E N 3.705 123.764 120.200 -0.236 0.000 2.222 80 E HA 0.632 4.985 4.350 0.006 0.000 0.267 80 E C -1.023 175.595 176.600 0.030 0.000 0.884 80 E CA -0.496 55.861 56.400 -0.072 0.000 0.764 80 E CB 1.335 31.049 29.700 0.023 0.000 1.169 80 E HN 0.683 nan 8.360 nan 0.000 0.413 81 M N 0.742 120.401 119.600 0.098 0.000 2.791 81 M HA 0.426 4.909 4.480 0.006 0.000 0.286 81 M C -0.456 175.888 176.300 0.074 0.000 1.238 81 M CA -0.913 54.430 55.300 0.071 0.000 0.762 81 M CB 2.149 34.781 32.600 0.054 0.000 1.758 81 M HN 0.364 nan 8.290 nan 0.000 0.447 82 S N 0.242 115.971 115.700 0.050 0.000 2.693 82 S HA 0.160 4.634 4.470 0.006 0.000 0.276 82 S C 0.068 174.695 174.600 0.045 0.000 1.192 82 S CA -0.723 57.502 58.200 0.041 0.000 0.994 82 S CB 0.879 64.093 63.200 0.025 0.000 1.012 82 S HN 0.572 nan 8.310 nan 0.000 0.550 83 D N 1.356 121.776 120.400 0.034 0.000 2.178 83 D HA -0.085 4.558 4.640 0.006 0.000 0.201 83 D C 1.348 177.663 176.300 0.025 0.000 0.980 83 D CA 1.286 55.304 54.000 0.030 0.000 0.842 83 D CB -0.054 40.758 40.800 0.020 0.000 0.948 83 D HN 0.612 nan 8.370 nan 0.000 0.472 84 E N -0.042 120.170 120.200 0.019 0.000 2.385 84 E HA -0.046 4.308 4.350 0.006 0.000 0.194 84 E C 1.052 177.656 176.600 0.008 0.000 1.013 84 E CA 0.293 56.700 56.400 0.012 0.000 0.866 84 E CB 0.277 29.983 29.700 0.010 0.000 0.832 84 E HN 0.172 nan 8.360 nan 0.000 0.500 85 D N 0.211 120.618 120.400 0.011 0.000 2.137 85 D HA -0.089 4.554 4.640 0.006 0.000 0.202 85 D C 1.953 178.250 176.300 -0.006 0.000 0.970 85 D CA 0.705 54.703 54.000 -0.005 0.000 0.837 85 D CB -0.041 40.755 40.800 -0.006 0.000 0.981 85 D HN -0.001 nan 8.370 nan 0.000 0.475 86 V N 1.063 121.000 119.914 0.037 0.000 2.626 86 V HA -0.182 3.942 4.120 0.006 0.000 0.252 86 V C 2.118 178.232 176.094 0.034 0.000 1.067 86 V CA 1.308 63.652 62.300 0.074 0.000 1.081 86 V CB -0.383 31.519 31.823 0.131 0.000 0.686 86 V HN 0.171 nan 8.190 nan 0.000 0.468 87 K N -0.010 120.400 120.400 0.017 0.000 2.283 87 K HA -0.132 4.191 4.320 0.006 0.000 0.202 87 K C 1.825 178.419 176.600 -0.010 0.000 1.048 87 K CA 1.076 57.366 56.287 0.006 0.000 0.948 87 K CB -0.072 32.431 32.500 0.006 0.000 0.742 87 K HN 0.593 nan 8.250 nan 0.000 0.458 88 E N 0.523 120.707 120.200 -0.027 0.000 2.481 88 E HA 0.023 4.376 4.350 0.006 0.000 0.195 88 E C 0.045 176.595 176.600 -0.084 0.000 1.047 88 E CA 0.084 56.454 56.400 -0.050 0.000 0.867 88 E CB 0.183 29.847 29.700 -0.060 0.000 0.858 88 E HN 0.269 nan 8.360 nan 0.000 0.513 89 I N 2.214 122.741 120.570 -0.072 0.000 2.436 89 I HA 0.012 4.185 4.170 0.006 0.000 0.289 89 I C 0.835 176.928 176.117 -0.040 0.000 1.083 89 I CA 0.175 61.426 61.300 -0.082 0.000 1.372 89 I CB 0.678 38.652 38.000 -0.043 0.000 1.408 89 I HN -0.175 nan 8.210 nan 0.000 0.516 90 K N 7.000 127.373 120.400 -0.044 0.000 2.745 90 K HA 0.058 4.381 4.320 0.006 0.000 0.223 90 K C -0.092 176.512 176.600 0.006 0.000 1.057 90 K CA -0.024 56.255 56.287 -0.012 0.000 1.217 90 K CB -0.060 32.437 32.500 -0.005 0.000 0.993 90 K HN 0.634 nan 8.250 nan 0.000 0.478 91 Q N -0.897 118.909 119.800 0.009 0.000 2.416 91 Q HA 0.361 4.705 4.340 0.006 0.000 0.281 91 Q C -1.194 174.822 176.000 0.027 0.000 1.067 91 Q CA -1.316 54.501 55.803 0.023 0.000 0.809 91 Q CB 1.180 29.937 28.738 0.031 0.000 1.418 91 Q HN -0.274 nan 8.270 nan 0.000 0.411 92 K N 1.191 121.604 120.400 0.023 0.000 2.511 92 K HA 0.169 4.492 4.320 0.006 0.000 0.280 92 K C -0.963 175.653 176.600 0.028 0.000 1.008 92 K CA 0.986 57.283 56.287 0.018 0.000 1.050 92 K CB 0.405 32.910 32.500 0.007 0.000 0.889 92 K HN 0.691 nan 8.250 nan 0.000 0.484 93 T N 2.673 117.241 114.554 0.023 0.000 2.906 93 T HA 0.356 4.710 4.350 0.006 0.000 0.295 93 T C -1.396 173.288 174.700 -0.027 0.000 1.075 93 T CA -0.805 61.310 62.100 0.024 0.000 1.005 93 T CB 1.496 70.416 68.868 0.088 0.000 1.136 93 T HN 0.488 nan 8.240 nan 0.000 0.498 94 D N 0.200 120.547 120.400 -0.088 0.000 2.381 94 D HA 0.520 5.164 4.640 0.006 0.000 0.245 94 D C 0.213 176.414 176.300 -0.166 0.000 1.297 94 D CA 0.683 54.622 54.000 -0.102 0.000 0.931 94 D CB 0.038 40.785 40.800 -0.087 0.000 1.334 94 D HN 1.062 nan 8.370 nan 0.000 0.535 95 G N 2.653 111.370 108.800 -0.138 0.000 2.566 95 G HA2 -0.206 3.757 3.960 0.006 0.000 0.599 95 G HA3 -0.206 3.757 3.960 0.006 0.000 0.599 95 G C 0.309 175.085 174.900 -0.207 0.000 1.292 95 G CA -0.518 44.491 45.100 -0.151 0.000 0.922 95 G HN 0.339 nan 8.290 nan 0.000 0.514 96 N N -0.294 118.319 118.700 -0.146 0.000 2.282 96 N HA 0.195 4.939 4.740 0.006 0.000 0.185 96 N C 0.864 176.289 175.510 -0.142 0.000 1.099 96 N CA 0.806 53.820 53.050 -0.060 0.000 0.878 96 N CB 0.530 39.038 38.487 0.036 0.000 0.993 96 N HN 0.535 nan 8.380 nan 0.000 0.481 97 S N 0.512 116.053 115.700 -0.265 0.000 2.565 97 S HA 0.455 4.928 4.470 0.006 0.000 0.274 97 S C -0.520 173.739 174.600 -0.569 0.000 1.309 97 S CA -0.126 57.943 58.200 -0.218 0.000 1.043 97 S CB 0.500 63.742 63.200 0.071 0.000 0.939 97 S HN 0.054 nan 8.310 nan 0.000 0.504 98 F N 1.576 121.392 119.950 -0.224 0.000 2.557 98 F HA 0.441 4.971 4.527 0.006 0.000 0.316 98 F C -0.566 175.176 175.800 -0.097 0.000 1.141 98 F CA -0.912 57.002 58.000 -0.143 0.000 0.922 98 F CB 1.374 40.284 39.000 -0.150 0.000 1.194 98 F HN 0.317 nan 8.300 nan 0.000 0.443 99 L N 5.415 126.715 121.223 0.129 0.000 2.272 99 L HA 0.655 4.998 4.340 0.006 0.000 0.289 99 L C -0.976 175.954 176.870 0.101 0.000 1.032 99 L CA -0.300 54.607 54.840 0.111 0.000 0.810 99 L CB 0.559 42.649 42.059 0.051 0.000 1.205 99 L HN 0.461 nan 8.230 nan 0.000 0.422 100 I N 5.172 125.801 120.570 0.097 0.000 2.389 100 I HA 0.357 4.530 4.170 0.006 0.000 0.288 100 I C -0.488 175.673 176.117 0.072 0.000 0.999 100 I CA -0.634 60.709 61.300 0.072 0.000 1.129 100 I CB 1.322 39.355 38.000 0.054 0.000 1.288 100 I HN 0.542 nan 8.210 nan 0.000 0.444 101 N N 6.472 125.209 118.700 0.061 0.000 2.462 101 N HA 0.233 4.977 4.740 0.006 0.000 0.242 101 N C -0.838 174.715 175.510 0.072 0.000 1.010 101 N CA -0.502 52.592 53.050 0.073 0.000 0.939 101 N CB 1.961 40.490 38.487 0.070 0.000 1.127 101 N HN 0.376 nan 8.380 nan 0.000 0.509 102 L N 5.319 126.585 121.223 0.072 0.000 2.282 102 L HA 0.350 4.693 4.340 0.006 0.000 0.287 102 L C -0.544 176.363 176.870 0.062 0.000 1.075 102 L CA -0.433 54.440 54.840 0.056 0.000 0.839 102 L CB -0.072 42.013 42.059 0.043 0.000 1.219 102 L HN 0.302 nan 8.230 nan 0.000 0.434 103 I N 3.524 124.138 120.570 0.074 0.000 2.452 103 I HA 0.101 4.275 4.170 0.006 0.000 0.287 103 I C 0.565 176.698 176.117 0.027 0.000 1.079 103 I CA -0.247 61.102 61.300 0.083 0.000 1.387 103 I CB 0.432 38.516 38.000 0.141 0.000 1.404 103 I HN 0.570 nan 8.210 nan 0.000 0.522 104 D N 5.090 125.475 120.400 -0.025 0.000 2.423 104 D HA 0.242 4.886 4.640 0.006 0.000 0.238 104 D C -0.218 176.066 176.300 -0.027 0.000 1.142 104 D CA 0.298 54.272 54.000 -0.044 0.000 0.884 104 D CB 0.830 41.575 40.800 -0.092 0.000 1.199 104 D HN 0.646 nan 8.370 nan 0.000 0.438 105 S N 1.722 117.409 115.700 -0.021 0.000 2.595 105 S HA 0.736 5.210 4.470 0.006 0.000 0.281 105 S C -2.723 171.863 174.600 -0.023 0.000 1.117 105 S CA -1.455 56.744 58.200 -0.001 0.000 0.873 105 S CB 1.498 64.710 63.200 0.021 0.000 1.108 105 S HN 0.270 nan 8.310 nan 0.000 0.477 106 P HA 0.252 nan 4.420 nan 0.000 0.270 106 P C 0.962 178.262 177.300 -0.001 0.000 1.227 106 P CA -0.153 62.919 63.100 -0.047 0.000 0.788 106 P CB 0.116 31.859 31.700 0.072 0.000 0.926 107 G N -0.945 107.850 108.800 -0.008 0.000 2.595 107 G HA2 -0.041 3.922 3.960 0.006 0.000 0.213 107 G HA3 -0.041 3.922 3.960 0.006 0.000 0.213 107 G C 0.250 175.235 174.900 0.141 0.000 1.141 107 G CA 0.653 45.775 45.100 0.037 0.000 0.806 107 G HN 0.569 nan 8.290 nan 0.000 0.530 108 H N -0.485 118.735 119.070 0.251 0.000 2.717 108 H HA 0.273 4.832 4.556 0.006 0.000 0.366 108 H C 0.424 175.891 175.328 0.233 0.000 1.132 108 H CA -0.622 55.547 56.048 0.201 0.000 1.180 108 H CB 2.667 32.533 29.762 0.174 0.000 1.678 108 H HN -0.128 nan 8.280 nan 0.000 0.537 109 V N 3.694 123.471 119.914 -0.228 0.000 2.867 109 V HA -0.172 3.952 4.120 0.006 0.000 0.260 109 V C 1.085 177.155 176.094 -0.039 0.000 1.099 109 V CA 2.046 64.324 62.300 -0.035 0.000 1.122 109 V CB -0.318 31.470 31.823 -0.059 0.000 0.708 109 V HN 0.683 nan 8.190 nan 0.000 0.490 110 D N 0.522 120.924 120.400 0.003 0.000 2.182 110 D HA -0.143 4.501 4.640 0.006 0.000 0.201 110 D C 0.863 176.942 176.300 -0.369 0.000 0.986 110 D CA 1.301 55.175 54.000 -0.211 0.000 0.847 110 D CB -0.336 40.287 40.800 -0.295 0.000 0.942 110 D HN 0.628 nan 8.370 nan 0.000 0.467 111 F N 0.876 120.849 119.950 0.039 0.000 2.666 111 F HA 0.150 4.680 4.527 0.005 0.000 0.362 111 F C 1.753 177.557 175.800 0.007 0.000 1.190 111 F CA -0.371 57.644 58.000 0.025 0.000 1.328 111 F CB -0.227 38.813 39.000 0.067 0.000 1.682 111 F HN -0.240 nan 8.300 nan 0.000 0.623 112 S N -0.570 115.106 115.700 -0.040 0.000 2.382 112 S HA -0.186 4.288 4.470 0.006 0.000 0.228 112 S C 2.268 176.919 174.600 0.085 0.000 1.027 112 S CA 1.424 59.539 58.200 -0.142 0.000 0.991 112 S CB -0.164 62.538 63.200 -0.830 0.000 0.823 112 S HN 0.519 nan 8.310 nan 0.000 0.469 113 S N 1.920 117.635 115.700 0.026 0.000 2.382 113 S HA -0.154 4.320 4.470 0.006 0.000 0.228 113 S C 1.913 176.664 174.600 0.250 0.000 1.027 113 S CA 1.376 59.603 58.200 0.044 0.000 0.991 113 S CB -0.300 62.802 63.200 -0.164 0.000 0.823 113 S HN 0.836 nan 8.310 nan 0.000 0.469 114 E N 0.588 120.957 120.200 0.280 0.000 2.442 114 E HA 0.102 4.456 4.350 0.006 0.000 0.195 114 E C 1.527 178.256 176.600 0.215 0.000 1.030 114 E CA 0.253 56.812 56.400 0.266 0.000 0.869 114 E CB -0.168 29.656 29.700 0.206 0.000 0.857 114 E HN 0.242 nan 8.360 nan 0.000 0.505 115 V N 1.709 121.766 119.914 0.237 0.000 2.379 115 V HA -0.213 3.910 4.120 0.006 0.000 0.245 115 V C 2.200 178.407 176.094 0.189 0.000 1.044 115 V CA 2.249 64.680 62.300 0.218 0.000 1.036 115 V CB -0.482 31.526 31.823 0.308 0.000 0.664 115 V HN 0.406 nan 8.190 nan 0.000 0.453 116 T N 0.470 115.160 114.554 0.225 0.000 2.777 116 T HA -0.106 4.247 4.350 0.006 0.000 0.266 116 T C 2.091 176.898 174.700 0.180 0.000 1.040 116 T CA 1.408 63.614 62.100 0.176 0.000 1.141 116 T CB -0.421 68.563 68.868 0.192 0.000 0.868 116 T HN 0.538 nan 8.240 nan 0.000 0.444 117 A N 1.677 124.639 122.820 0.237 0.000 1.908 117 A HA 0.099 4.423 4.320 0.006 0.000 0.218 117 A C 2.662 180.385 177.584 0.233 0.000 1.181 117 A CA 1.918 54.119 52.037 0.274 0.000 0.627 117 A CB -1.161 18.020 19.000 0.302 0.000 0.818 117 A HN 0.520 nan 8.150 nan 0.000 0.445 118 A N -0.337 122.596 122.820 0.187 0.000 1.873 118 A HA -0.002 4.321 4.320 0.006 0.000 0.215 118 A C 2.145 179.806 177.584 0.129 0.000 1.186 118 A CA 1.455 53.588 52.037 0.161 0.000 0.616 118 A CB -0.598 18.470 19.000 0.113 0.000 0.823 118 A HN 0.471 nan 8.150 nan 0.000 0.442 119 L N -1.325 119.957 121.223 0.099 0.000 2.201 119 L HA -0.100 4.243 4.340 0.006 0.000 0.212 119 L C 2.710 179.616 176.870 0.060 0.000 1.105 119 L CA 1.437 56.315 54.840 0.063 0.000 0.775 119 L CB -0.388 41.689 42.059 0.030 0.000 0.913 119 L HN 0.414 nan 8.230 nan 0.000 0.440 120 R N 0.419 120.958 120.500 0.065 0.000 2.148 120 R HA -0.093 4.250 4.340 0.006 0.000 0.223 120 R C 1.770 178.088 176.300 0.030 0.000 1.088 120 R CA 1.202 57.305 56.100 0.005 0.000 0.985 120 R CB 0.106 30.375 30.300 -0.052 0.000 0.880 120 R HN 0.375 nan 8.270 nan 0.000 0.451 121 V N -1.536 118.432 119.914 0.091 0.000 3.514 121 V HA 0.219 4.342 4.120 0.006 0.000 0.301 121 V C 0.282 176.417 176.094 0.068 0.000 1.346 121 V CA 0.159 62.523 62.300 0.106 0.000 1.156 121 V CB -0.316 31.582 31.823 0.125 0.000 1.029 121 V HN 0.248 nan 8.190 nan 0.000 0.428 122 T N -3.642 110.958 114.554 0.076 0.000 2.942 122 T HA 0.603 4.956 4.350 0.006 0.000 0.289 122 T C -0.017 174.716 174.700 0.055 0.000 1.044 122 T CA -0.246 61.888 62.100 0.056 0.000 1.023 122 T CB 2.453 71.356 68.868 0.058 0.000 1.123 122 T HN 0.150 nan 8.240 nan 0.000 0.512 123 D N 0.080 120.507 120.400 0.044 0.000 2.473 123 D HA 0.263 4.906 4.640 0.006 0.000 0.242 123 D C 0.922 177.261 176.300 0.065 0.000 1.106 123 D CA 0.231 54.266 54.000 0.057 0.000 0.854 123 D CB 0.720 41.540 40.800 0.032 0.000 1.192 123 D HN 0.815 nan 8.370 nan 0.000 0.503 124 G N -0.178 108.647 108.800 0.042 0.000 2.630 124 G HA2 0.692 4.655 3.960 0.006 0.000 0.296 124 G HA3 0.692 4.655 3.960 0.006 0.000 0.296 124 G C -1.492 173.416 174.900 0.014 0.000 1.285 124 G CA -0.562 44.556 45.100 0.030 0.000 0.958 124 G HN 0.132 nan 8.290 nan 0.000 0.479 125 A N -0.209 122.609 122.820 -0.004 0.000 2.459 125 A HA 0.591 4.914 4.320 0.006 0.000 0.296 125 A C -1.557 176.004 177.584 -0.038 0.000 1.039 125 A CA -0.547 51.480 52.037 -0.017 0.000 0.698 125 A CB 1.826 20.813 19.000 -0.021 0.000 1.261 125 A HN 1.298 nan 8.150 nan 0.000 0.405 126 L N 3.695 124.895 121.223 -0.039 0.000 2.270 126 L HA 0.566 4.909 4.340 0.006 0.000 0.286 126 L C -0.776 176.056 176.870 -0.064 0.000 1.059 126 L CA -0.114 54.689 54.840 -0.061 0.000 0.839 126 L CB 0.843 42.869 42.059 -0.055 0.000 1.221 126 L HN 0.409 nan 8.230 nan 0.000 0.431 127 V N 6.280 126.143 119.914 -0.085 0.000 2.385 127 V HA 0.333 4.456 4.120 0.006 0.000 0.269 127 V C 0.116 176.154 176.094 -0.094 0.000 1.043 127 V CA -0.598 61.655 62.300 -0.078 0.000 0.906 127 V CB 1.311 33.082 31.823 -0.087 0.000 0.995 127 V HN 0.480 nan 8.190 nan 0.000 0.467 128 V N 6.541 126.419 119.914 -0.060 0.000 2.439 128 V HA 0.597 4.720 4.120 0.006 0.000 0.282 128 V C 0.065 176.125 176.094 -0.058 0.000 1.039 128 V CA -0.368 61.892 62.300 -0.066 0.000 0.913 128 V CB 1.592 33.400 31.823 -0.024 0.000 0.983 128 V HN 0.761 nan 8.190 nan 0.000 0.460 129 V N 0.918 120.760 119.914 -0.121 0.000 3.040 129 V HA 0.736 4.860 4.120 0.006 0.000 0.312 129 V C -0.770 175.172 176.094 -0.252 0.000 1.115 129 V CA -0.904 61.298 62.300 -0.162 0.000 0.998 129 V CB 2.159 33.911 31.823 -0.119 0.000 1.042 129 V HN 0.713 nan 8.190 nan 0.000 0.433 130 D N 1.344 121.495 120.400 -0.414 0.000 2.264 130 D HA 0.426 5.070 4.640 0.006 0.000 0.249 130 D C 1.137 177.372 176.300 -0.109 0.000 1.070 130 D CA 0.368 54.144 54.000 -0.373 0.000 0.912 130 D CB 2.134 42.566 40.800 -0.613 0.000 1.193 130 D HN 0.715 nan 8.370 nan 0.000 0.427 131 T N 2.731 117.286 114.554 0.001 0.000 2.674 131 T HA -0.101 4.252 4.350 0.006 0.000 0.265 131 T C 1.881 176.607 174.700 0.043 0.000 1.039 131 T CA 1.114 63.285 62.100 0.119 0.000 1.150 131 T CB -0.184 68.794 68.868 0.183 0.000 0.864 131 T HN 0.434 nan 8.240 nan 0.000 0.427 132 I N 0.587 121.166 120.570 0.014 0.000 2.206 132 I HA -0.038 4.135 4.170 0.006 0.000 0.239 132 I C 2.374 178.491 176.117 -0.000 0.000 1.078 132 I CA 1.227 62.532 61.300 0.007 0.000 1.367 132 I CB -0.321 37.691 38.000 0.019 0.000 1.078 132 I HN 0.241 nan 8.210 nan 0.000 0.413 133 E N 0.901 121.095 120.200 -0.010 0.000 2.482 133 E HA 0.098 4.451 4.350 0.006 0.000 0.196 133 E C 1.313 177.902 176.600 -0.019 0.000 1.047 133 E CA 0.434 56.834 56.400 -0.001 0.000 0.869 133 E CB 0.052 29.778 29.700 0.043 0.000 0.836 133 E HN 0.569 nan 8.360 nan 0.000 0.520 134 G N 1.114 109.888 108.800 -0.044 0.000 2.583 134 G HA2 -0.351 3.612 3.960 0.006 0.000 0.292 134 G HA3 -0.351 3.612 3.960 0.006 0.000 0.292 134 G C 0.063 174.930 174.900 -0.055 0.000 1.203 134 G CA 0.009 45.087 45.100 -0.037 0.000 0.987 134 G HN 0.156 nan 8.290 nan 0.000 0.554 135 V N 1.829 121.730 119.914 -0.022 0.000 2.364 135 V HA 0.440 4.564 4.120 0.006 0.000 0.272 135 V C 1.441 177.547 176.094 0.019 0.000 1.036 135 V CA -0.281 62.014 62.300 -0.007 0.000 0.880 135 V CB 0.005 31.821 31.823 -0.012 0.000 0.991 135 V HN 1.297 nan 8.190 nan 0.000 0.460 136 C N 4.441 123.774 119.300 0.055 0.000 2.563 136 C HA 0.499 4.962 4.460 0.006 0.000 0.358 136 C C 1.870 176.876 174.990 0.026 0.000 1.336 136 C CA -0.427 58.617 59.018 0.043 0.000 2.454 136 C CB 0.458 28.221 27.740 0.039 0.000 2.448 136 C HN 0.610 nan 8.230 nan 0.000 0.670 137 V N 1.343 121.265 119.914 0.015 0.000 2.343 137 V HA -0.205 3.918 4.120 0.006 0.000 0.247 137 V C 2.844 178.945 176.094 0.012 0.000 1.051 137 V CA 2.408 64.715 62.300 0.011 0.000 1.036 137 V CB -1.193 30.634 31.823 0.008 0.000 0.654 137 V HN 1.019 nan 8.190 nan 0.000 0.451 138 Q N 0.045 119.863 119.800 0.029 0.000 1.993 138 Q HA -0.232 4.111 4.340 0.006 0.000 0.202 138 Q C 2.283 178.295 176.000 0.021 0.000 0.984 138 Q CA 2.569 58.388 55.803 0.026 0.000 0.837 138 Q CB -0.367 28.402 28.738 0.053 0.000 0.902 138 Q HN 0.613 nan 8.270 nan 0.000 0.423 139 T N 1.240 115.824 114.554 0.049 0.000 2.737 139 T HA -0.216 4.137 4.350 0.006 0.000 0.269 139 T C 1.609 176.299 174.700 -0.018 0.000 1.040 139 T CA 1.712 63.829 62.100 0.030 0.000 1.142 139 T CB -0.265 68.641 68.868 0.063 0.000 0.861 139 T HN 0.485 nan 8.240 nan 0.000 0.456 140 E N 0.313 120.501 120.200 -0.019 0.000 2.077 140 E HA -0.153 4.200 4.350 0.006 0.000 0.193 140 E C 2.099 178.638 176.600 -0.103 0.000 0.989 140 E CA 1.413 57.784 56.400 -0.048 0.000 0.800 140 E CB -0.086 29.599 29.700 -0.025 0.000 0.746 140 E HN 0.384 nan 8.360 nan 0.000 0.452 141 T N 0.300 114.801 114.554 -0.088 0.000 2.777 141 T HA -0.101 4.252 4.350 0.006 0.000 0.266 141 T C 1.901 176.464 174.700 -0.229 0.000 1.040 141 T CA 1.260 63.279 62.100 -0.135 0.000 1.141 141 T CB -0.100 68.752 68.868 -0.025 0.000 0.868 141 T HN 0.031 nan 8.240 nan 0.000 0.444 142 V N 1.621 121.439 119.914 -0.159 0.000 2.358 142 V HA -0.077 4.046 4.120 0.006 0.000 0.246 142 V C 2.393 178.373 176.094 -0.190 0.000 1.047 142 V CA 1.134 63.319 62.300 -0.193 0.000 1.035 142 V CB -0.672 31.106 31.823 -0.075 0.000 0.658 142 V HN 0.325 nan 8.190 nan 0.000 0.452 143 L N 0.561 121.701 121.223 -0.138 0.000 2.079 143 L HA -0.171 4.172 4.340 0.006 0.000 0.210 143 L C 2.512 179.285 176.870 -0.161 0.000 1.081 143 L CA 2.035 56.803 54.840 -0.120 0.000 0.752 143 L CB -0.828 41.179 42.059 -0.087 0.000 0.896 143 L HN 0.214 nan 8.230 nan 0.000 0.433 144 R N -1.265 119.088 120.500 -0.245 0.000 2.081 144 R HA -0.166 4.177 4.340 0.006 0.000 0.235 144 R C 2.168 178.283 176.300 -0.308 0.000 1.131 144 R CA 1.503 57.383 56.100 -0.366 0.000 0.960 144 R CB -0.068 29.879 30.300 -0.589 0.000 0.856 144 R HN 0.489 nan 8.270 nan 0.000 0.436 145 Q N -0.192 119.402 119.800 -0.343 0.000 2.083 145 Q HA -0.046 4.297 4.340 0.006 0.000 0.198 145 Q C 2.066 177.951 176.000 -0.190 0.000 0.969 145 Q CA 1.461 57.064 55.803 -0.333 0.000 0.838 145 Q CB -0.265 28.139 28.738 -0.557 0.000 0.900 145 Q HN 0.401 nan 8.270 nan 0.000 0.436 146 A N 1.063 123.790 122.820 -0.155 0.000 1.908 146 A HA -0.142 4.181 4.320 0.006 0.000 0.218 146 A C 2.239 179.790 177.584 -0.055 0.000 1.181 146 A CA 1.150 53.137 52.037 -0.083 0.000 0.627 146 A CB -0.741 18.218 19.000 -0.068 0.000 0.818 146 A HN 0.315 nan 8.150 nan 0.000 0.445 147 L N -0.792 120.393 121.223 -0.063 0.000 2.141 147 L HA -0.089 4.254 4.340 0.006 0.000 0.209 147 L C 2.724 179.583 176.870 -0.019 0.000 1.094 147 L CA 0.859 55.682 54.840 -0.029 0.000 0.763 147 L CB -0.651 41.406 42.059 -0.003 0.000 0.908 147 L HN 0.493 nan 8.230 nan 0.000 0.437 148 G N -0.599 108.176 108.800 -0.042 0.000 2.443 148 G HA2 -0.168 3.796 3.960 0.006 0.000 0.219 148 G HA3 -0.168 3.796 3.960 0.006 0.000 0.219 148 G C 1.321 176.211 174.900 -0.018 0.000 1.131 148 G CA 0.221 45.303 45.100 -0.030 0.000 0.775 148 G HN 0.306 nan 8.290 nan 0.000 0.547 149 E N 0.347 120.536 120.200 -0.018 0.000 2.476 149 E HA 0.069 4.423 4.350 0.006 0.000 0.191 149 E C 0.406 177.032 176.600 0.044 0.000 1.064 149 E CA -0.250 56.153 56.400 0.005 0.000 0.866 149 E CB 0.075 29.775 29.700 -0.000 0.000 0.952 149 E HN 0.391 nan 8.360 nan 0.000 0.492 150 R N 0.419 120.942 120.500 0.038 0.000 3.261 150 R HA -0.159 4.184 4.340 0.006 0.000 0.257 150 R C -0.414 175.957 176.300 0.118 0.000 1.014 150 R CA 0.377 56.517 56.100 0.067 0.000 0.681 150 R CB -2.285 28.100 30.300 0.141 0.000 1.155 150 R HN 0.191 nan 8.270 nan 0.000 0.424 151 I N 0.902 121.506 120.570 0.058 0.000 2.377 151 I HA 0.196 4.369 4.170 0.006 0.000 0.293 151 I C 0.691 176.825 176.117 0.028 0.000 0.987 151 I CA -0.635 60.702 61.300 0.062 0.000 1.185 151 I CB 1.619 39.637 38.000 0.031 0.000 1.341 151 I HN 0.052 nan 8.210 nan 0.000 0.455 152 K N 8.153 128.580 120.400 0.044 0.000 2.276 152 K HA 0.429 4.753 4.320 0.006 0.000 0.283 152 K C -2.594 173.999 176.600 -0.013 0.000 1.044 152 K CA -1.320 54.973 56.287 0.010 0.000 0.944 152 K CB 1.026 33.547 32.500 0.035 0.000 1.012 152 K HN 0.184 nan 8.250 nan 0.000 0.472 153 P HA 0.184 nan 4.420 nan 0.000 0.296 153 P C -1.372 175.868 177.300 -0.099 0.000 1.301 153 P CA -0.786 62.271 63.100 -0.071 0.000 0.862 153 P CB 1.573 33.221 31.700 -0.087 0.000 1.046 154 V N 0.388 120.236 119.914 -0.111 0.000 2.735 154 V HA 0.698 4.821 4.120 0.006 0.000 0.310 154 V C -0.562 175.422 176.094 -0.184 0.000 1.061 154 V CA -0.988 61.215 62.300 -0.161 0.000 0.913 154 V CB 1.983 33.723 31.823 -0.139 0.000 1.005 154 V HN 0.201 nan 8.190 nan 0.000 0.428 155 V N 3.995 123.759 119.914 -0.250 0.000 2.547 155 V HA 0.702 4.826 4.120 0.006 0.000 0.299 155 V C -0.260 175.628 176.094 -0.345 0.000 1.040 155 V CA -0.527 61.610 62.300 -0.270 0.000 0.913 155 V CB 1.876 33.525 31.823 -0.290 0.000 0.992 155 V HN 0.942 nan 8.190 nan 0.000 0.449 156 V N 6.249 125.977 119.914 -0.309 0.000 2.525 156 V HA 0.544 4.667 4.120 0.006 0.000 0.299 156 V C -0.492 175.405 176.094 -0.329 0.000 1.034 156 V CA -0.408 61.670 62.300 -0.368 0.000 0.863 156 V CB 1.681 33.342 31.823 -0.270 0.000 0.999 156 V HN 0.745 nan 8.190 nan 0.000 0.423 157 I N 6.615 126.931 120.570 -0.424 0.000 2.322 157 I HA 0.324 4.498 4.170 0.006 0.000 0.292 157 I C 0.300 176.324 176.117 -0.154 0.000 1.060 157 I CA 0.022 61.180 61.300 -0.238 0.000 1.309 157 I CB 0.781 38.682 38.000 -0.166 0.000 1.415 157 I HN 0.625 nan 8.210 nan 0.000 0.492 158 N N 5.436 124.062 118.700 -0.124 0.000 2.476 158 N HA 0.275 5.019 4.740 0.006 0.000 0.276 158 N C -0.307 175.172 175.510 -0.051 0.000 1.204 158 N CA -0.413 52.568 53.050 -0.114 0.000 0.974 158 N CB 0.793 39.220 38.487 -0.101 0.000 1.204 158 N HN 0.364 nan 8.380 nan 0.000 0.543 159 K N -0.328 120.041 120.400 -0.050 0.000 3.162 159 K HA -0.125 4.199 4.320 0.006 0.000 0.268 159 K C 0.466 177.117 176.600 0.085 0.000 1.062 159 K CA 0.178 56.478 56.287 0.022 0.000 0.769 159 K CB -1.919 30.601 32.500 0.034 0.000 1.274 159 K HN 0.249 nan 8.250 nan 0.000 0.478 160 V N 0.246 120.221 119.914 0.102 0.000 2.548 160 V HA -0.264 3.859 4.120 0.006 0.000 0.249 160 V C 2.277 178.507 176.094 0.226 0.000 1.055 160 V CA 2.319 64.762 62.300 0.238 0.000 1.065 160 V CB -0.478 31.580 31.823 0.391 0.000 0.681 160 V HN 0.660 nan 8.190 nan 0.000 0.462 161 D N 0.876 121.448 120.400 0.286 0.000 2.158 161 D HA -0.322 4.322 4.640 0.006 0.000 0.197 161 D C 2.151 178.582 176.300 0.219 0.000 0.995 161 D CA 1.829 56.044 54.000 0.360 0.000 0.846 161 D CB -0.431 40.688 40.800 0.532 0.000 0.941 161 D HN 0.375 nan 8.370 nan 0.000 0.456 162 R N 0.301 120.904 120.500 0.170 0.000 2.096 162 R HA -0.048 4.296 4.340 0.006 0.000 0.235 162 R C 2.208 178.555 176.300 0.079 0.000 1.127 162 R CA 1.273 57.446 56.100 0.122 0.000 0.968 162 R CB -0.329 30.032 30.300 0.101 0.000 0.861 162 R HN 0.320 nan 8.270 nan 0.000 0.440 163 A N 0.611 123.469 122.820 0.063 0.000 2.015 163 A HA -0.041 4.282 4.320 0.006 0.000 0.219 163 A C 2.010 179.581 177.584 -0.022 0.000 1.163 163 A CA 0.869 52.920 52.037 0.025 0.000 0.646 163 A CB -0.165 18.849 19.000 0.023 0.000 0.806 163 A HN 0.304 nan 8.150 nan 0.000 0.448 164 L N -1.305 119.872 121.223 -0.078 0.000 2.189 164 L HA 0.048 4.391 4.340 0.006 0.000 0.199 164 L C 2.411 179.246 176.870 -0.058 0.000 1.074 164 L CA 0.605 55.315 54.840 -0.217 0.000 0.783 164 L CB -0.624 41.084 42.059 -0.585 0.000 0.955 164 L HN 0.302 nan 8.230 nan 0.000 0.460 165 L N -0.363 120.893 121.223 0.055 0.000 2.131 165 L HA -0.109 4.235 4.340 0.006 0.000 0.206 165 L C 2.484 179.401 176.870 0.079 0.000 1.087 165 L CA 1.158 56.063 54.840 0.108 0.000 0.767 165 L CB -0.251 41.914 42.059 0.177 0.000 0.917 165 L HN 0.331 nan 8.230 nan 0.000 0.441 166 E N 0.454 120.697 120.200 0.072 0.000 2.065 166 E HA -0.043 4.311 4.350 0.006 0.000 0.191 166 E C 2.287 178.914 176.600 0.046 0.000 0.960 166 E CA 0.246 56.684 56.400 0.062 0.000 0.824 166 E CB 0.178 29.918 29.700 0.067 0.000 0.793 166 E HN 0.330 nan 8.360 nan 0.000 0.459 167 L N 0.522 121.768 121.223 0.038 0.000 2.313 167 L HA 0.034 4.377 4.340 0.006 0.000 0.214 167 L C 0.505 177.393 176.870 0.030 0.000 1.119 167 L CA 0.493 55.352 54.840 0.031 0.000 0.809 167 L CB -0.207 41.868 42.059 0.027 0.000 0.933 167 L HN 0.277 nan 8.230 nan 0.000 0.449 168 Q N 0.438 120.250 119.800 0.021 0.000 2.451 168 Q HA -0.166 4.178 4.340 0.006 0.000 0.305 168 Q C -0.036 175.996 176.000 0.052 0.000 1.345 168 Q CA 0.256 56.072 55.803 0.023 0.000 0.854 168 Q CB -1.909 26.850 28.738 0.035 0.000 1.162 168 Q HN 0.483 nan 8.270 nan 0.000 0.440 169 V N -1.739 118.210 119.914 0.059 0.000 3.185 169 V HA 0.478 4.601 4.120 0.006 0.000 0.305 169 V C 1.033 177.246 176.094 0.198 0.000 1.090 169 V CA -0.017 62.340 62.300 0.095 0.000 1.107 169 V CB 1.661 33.527 31.823 0.071 0.000 1.061 169 V HN 0.410 nan 8.190 nan 0.000 0.480 170 S N 1.895 117.677 115.700 0.137 0.000 2.655 170 S HA 0.364 4.838 4.470 0.006 0.000 0.265 170 S C 0.746 175.370 174.600 0.040 0.000 1.240 170 S CA -0.195 58.069 58.200 0.107 0.000 0.986 170 S CB 0.908 64.120 63.200 0.020 0.000 0.985 170 S HN 0.767 nan 8.310 nan 0.000 0.562 171 K N 0.304 120.555 120.400 -0.249 0.000 2.057 171 K HA -0.133 4.190 4.320 0.006 0.000 0.207 171 K C 2.169 178.708 176.600 -0.102 0.000 1.049 171 K CA 1.671 57.705 56.287 -0.422 0.000 0.931 171 K CB -0.290 31.826 32.500 -0.641 0.000 0.714 171 K HN 0.750 nan 8.250 nan 0.000 0.440 172 E N 1.466 121.622 120.200 -0.074 0.000 2.106 172 E HA -0.184 4.169 4.350 0.006 0.000 0.192 172 E C 1.383 178.017 176.600 0.057 0.000 0.984 172 E CA 1.561 57.963 56.400 0.004 0.000 0.806 172 E CB -0.087 29.599 29.700 -0.022 0.000 0.750 172 E HN 0.150 nan 8.360 nan 0.000 0.458 173 D N -0.094 120.319 120.400 0.022 0.000 2.104 173 D HA -0.167 4.477 4.640 0.006 0.000 0.194 173 D C 1.914 178.196 176.300 -0.029 0.000 0.994 173 D CA 0.989 54.995 54.000 0.010 0.000 0.830 173 D CB -0.376 40.433 40.800 0.015 0.000 0.959 173 D HN 0.214 nan 8.370 nan 0.000 0.452 174 L N 0.051 121.261 121.223 -0.023 0.000 2.046 174 L HA -0.185 4.159 4.340 0.006 0.000 0.208 174 L C 2.254 178.925 176.870 -0.332 0.000 1.077 174 L CA 1.514 56.243 54.840 -0.185 0.000 0.747 174 L CB -0.921 41.145 42.059 0.011 0.000 0.896 174 L HN 0.062 nan 8.230 nan 0.000 0.432 175 Y N -0.062 120.167 120.300 -0.118 0.000 2.070 175 Y HA -0.307 4.245 4.550 0.004 0.000 0.280 175 Y C 2.556 178.399 175.900 -0.095 0.000 1.148 175 Y CA 2.157 60.229 58.100 -0.047 0.000 1.125 175 Y CB -0.335 38.084 38.460 -0.068 0.000 0.975 175 Y HN 0.283 nan 8.280 nan 0.000 0.492 176 Q N -0.296 119.457 119.800 -0.078 0.000 2.181 176 Q HA -0.168 4.175 4.340 0.006 0.000 0.205 176 Q C 2.211 178.129 176.000 -0.137 0.000 0.980 176 Q CA 2.082 57.807 55.803 -0.130 0.000 0.862 176 Q CB -0.925 27.814 28.738 0.002 0.000 0.905 176 Q HN 0.543 nan 8.270 nan 0.000 0.429 177 T N 1.027 115.485 114.554 -0.160 0.000 2.708 177 T HA -0.102 4.251 4.350 0.006 0.000 0.266 177 T C 1.534 176.215 174.700 -0.031 0.000 1.037 177 T CA 1.083 63.099 62.100 -0.140 0.000 1.146 177 T CB -0.274 68.456 68.868 -0.230 0.000 0.865 177 T HN 0.123 nan 8.240 nan 0.000 0.435 178 F N 1.883 121.856 119.950 0.038 0.000 2.134 178 F HA 0.066 4.598 4.527 0.008 0.000 0.299 178 F C 2.708 178.559 175.800 0.085 0.000 1.097 178 F CA 0.194 58.274 58.000 0.132 0.000 1.264 178 F CB -1.476 37.702 39.000 0.298 0.000 1.001 178 F HN 0.142 nan 8.300 nan 0.000 0.479 179 A N 0.292 123.182 122.820 0.117 0.000 1.883 179 A HA -0.225 4.098 4.320 0.006 0.000 0.217 179 A C 2.410 180.034 177.584 0.067 0.000 1.186 179 A CA 1.849 53.923 52.037 0.062 0.000 0.624 179 A CB -0.742 18.122 19.000 -0.228 0.000 0.822 179 A HN 0.319 nan 8.150 nan 0.000 0.444 180 R N -1.184 119.333 120.500 0.028 0.000 2.081 180 R HA -0.083 4.261 4.340 0.006 0.000 0.235 180 R C 2.332 178.654 176.300 0.037 0.000 1.131 180 R CA 1.745 57.861 56.100 0.026 0.000 0.960 180 R CB -0.755 29.551 30.300 0.010 0.000 0.856 180 R HN 0.555 nan 8.270 nan 0.000 0.436 181 T N 0.854 115.446 114.554 0.064 0.000 2.674 181 T HA -0.116 4.238 4.350 0.006 0.000 0.265 181 T C 2.006 176.713 174.700 0.012 0.000 1.039 181 T CA 1.492 63.623 62.100 0.051 0.000 1.150 181 T CB -0.230 68.701 68.868 0.106 0.000 0.864 181 T HN -0.007 nan 8.240 nan 0.000 0.427 182 V N 1.513 121.441 119.914 0.023 0.000 2.392 182 V HA -0.178 3.946 4.120 0.006 0.000 0.249 182 V C 2.584 178.649 176.094 -0.048 0.000 1.059 182 V CA 1.964 64.234 62.300 -0.050 0.000 1.051 182 V CB -0.646 31.149 31.823 -0.048 0.000 0.658 182 V HN 0.425 nan 8.190 nan 0.000 0.455 183 E N 0.654 120.855 120.200 0.001 0.000 2.051 183 E HA -0.162 4.191 4.350 0.006 0.000 0.192 183 E C 2.344 178.936 176.600 -0.014 0.000 0.991 183 E CA 1.849 58.250 56.400 0.001 0.000 0.799 183 E CB -0.446 29.268 29.700 0.024 0.000 0.748 183 E HN 0.544 nan 8.360 nan 0.000 0.449 184 S N -0.488 115.207 115.700 -0.008 0.000 2.359 184 S HA -0.166 4.307 4.470 0.006 0.000 0.224 184 S C 2.062 176.649 174.600 -0.022 0.000 1.035 184 S CA 1.329 59.524 58.200 -0.008 0.000 1.018 184 S CB -0.482 62.716 63.200 -0.003 0.000 0.876 184 S HN 0.180 nan 8.310 nan 0.000 0.448 185 V N 3.004 122.891 119.914 -0.046 0.000 2.287 185 V HA -0.190 3.934 4.120 0.006 0.000 0.248 185 V C 2.081 178.131 176.094 -0.073 0.000 1.053 185 V CA 1.711 63.971 62.300 -0.067 0.000 1.027 185 V CB -0.780 30.978 31.823 -0.108 0.000 0.646 185 V HN 0.434 nan 8.190 nan 0.000 0.447 186 N N -0.104 118.539 118.700 -0.095 0.000 2.309 186 N HA -0.081 4.662 4.740 0.006 0.000 0.182 186 N C 1.695 177.171 175.510 -0.057 0.000 1.018 186 N CA 0.930 53.915 53.050 -0.108 0.000 0.876 186 N CB -0.283 38.112 38.487 -0.153 0.000 0.972 186 N HN 0.357 nan 8.380 nan 0.000 0.434 187 V N 1.529 121.425 119.914 -0.030 0.000 2.343 187 V HA -0.157 3.966 4.120 0.006 0.000 0.247 187 V C 2.160 178.259 176.094 0.010 0.000 1.051 187 V CA 1.155 63.448 62.300 -0.012 0.000 1.036 187 V CB -0.304 31.519 31.823 0.001 0.000 0.654 187 V HN 0.219 nan 8.190 nan 0.000 0.451 188 I N -0.701 119.894 120.570 0.042 0.000 2.252 188 I HA -0.175 3.998 4.170 0.006 0.000 0.245 188 I C 2.332 178.528 176.117 0.132 0.000 1.102 188 I CA 1.033 62.414 61.300 0.135 0.000 1.385 188 I CB -0.430 37.622 38.000 0.086 0.000 1.064 188 I HN 0.135 nan 8.210 nan 0.000 0.414 189 V N 0.974 120.903 119.914 0.026 0.000 2.270 189 V HA -0.264 3.860 4.120 0.006 0.000 0.245 189 V C 2.667 178.750 176.094 -0.017 0.000 1.043 189 V CA 2.308 64.606 62.300 -0.005 0.000 1.014 189 V CB -0.850 30.933 31.823 -0.068 0.000 0.645 189 V HN 0.589 nan 8.190 nan 0.000 0.447 190 S N -0.683 114.992 115.700 -0.043 0.000 2.419 190 S HA -0.209 4.264 4.470 0.006 0.000 0.233 190 S C 1.847 176.391 174.600 -0.093 0.000 1.016 190 S CA 1.888 60.054 58.200 -0.056 0.000 0.974 190 S CB -0.704 62.467 63.200 -0.047 0.000 0.786 190 S HN 0.591 nan 8.310 nan 0.000 0.492 191 T N 0.475 114.948 114.554 -0.134 0.000 2.851 191 T HA 0.102 4.455 4.350 0.006 0.000 0.262 191 T C 0.887 175.319 174.700 -0.447 0.000 1.043 191 T CA 1.172 63.072 62.100 -0.334 0.000 1.140 191 T CB -0.312 68.260 68.868 -0.494 0.000 0.872 191 T HN 0.614 nan 8.240 nan 0.000 0.446 192 Y N 0.595 120.868 120.300 -0.044 0.000 2.445 192 Y HA 0.615 5.168 4.550 0.004 0.000 0.247 192 Y C 1.159 177.024 175.900 -0.059 0.000 1.129 192 Y CA -1.112 56.958 58.100 -0.050 0.000 1.251 192 Y CB 0.066 38.495 38.460 -0.053 0.000 1.176 192 Y HN 0.081 nan 8.280 nan 0.000 0.522 193 A N 0.554 123.402 122.820 0.047 0.000 2.462 193 A HA 0.108 4.431 4.320 0.006 0.000 0.243 193 A C -0.189 177.377 177.584 -0.031 0.000 1.076 193 A CA -0.288 51.746 52.037 -0.005 0.000 0.773 193 A CB -0.008 18.972 19.000 -0.034 0.000 1.010 193 A HN 0.146 nan 8.150 nan 0.000 0.493 194 D N 1.221 121.593 120.400 -0.047 0.000 2.351 194 D HA 0.054 4.697 4.640 0.006 0.000 0.251 194 D C 1.457 177.711 176.300 -0.076 0.000 1.137 194 D CA -0.094 53.872 54.000 -0.056 0.000 0.879 194 D CB 0.869 41.636 40.800 -0.055 0.000 1.181 194 D HN 0.647 nan 8.370 nan 0.000 0.448 195 E N 2.590 122.753 120.200 -0.061 0.000 2.331 195 E HA -0.122 4.232 4.350 0.006 0.000 0.199 195 E C 1.152 177.711 176.600 -0.068 0.000 1.008 195 E CA 0.700 57.065 56.400 -0.059 0.000 0.843 195 E CB -0.235 29.438 29.700 -0.046 0.000 0.761 195 E HN 0.242 nan 8.360 nan 0.000 0.507 196 V N 1.181 121.047 119.914 -0.079 0.000 3.636 196 V HA 0.021 4.145 4.120 0.006 0.000 0.279 196 V C 1.873 177.869 176.094 -0.164 0.000 1.263 196 V CA 0.565 62.814 62.300 -0.084 0.000 1.182 196 V CB -0.754 31.039 31.823 -0.049 0.000 0.955 196 V HN 0.199 nan 8.190 nan 0.000 0.443 197 L N -0.106 121.000 121.223 -0.196 0.000 2.749 197 L HA 0.545 4.889 4.340 0.006 0.000 0.242 197 L C 1.285 178.060 176.870 -0.158 0.000 1.103 197 L CA 0.606 55.273 54.840 -0.289 0.000 0.906 197 L CB 0.288 42.138 42.059 -0.349 0.000 1.228 197 L HN 0.538 nan 8.230 nan 0.000 0.517 198 G N 0.897 109.638 108.800 -0.098 0.000 2.828 198 G HA2 -0.276 3.688 3.960 0.006 0.000 0.463 198 G HA3 -0.276 3.688 3.960 0.006 0.000 0.463 198 G C -0.446 174.431 174.900 -0.038 0.000 1.394 198 G CA -0.408 44.661 45.100 -0.053 0.000 0.862 198 G HN 0.194 nan 8.290 nan 0.000 0.540 199 D N -0.658 119.738 120.400 -0.005 0.000 2.455 199 D HA 0.196 4.839 4.640 0.006 0.000 0.265 199 D C 0.963 177.278 176.300 0.025 0.000 1.284 199 D CA 0.970 54.985 54.000 0.026 0.000 0.944 199 D CB 1.004 41.846 40.800 0.070 0.000 1.121 199 D HN 0.848 nan 8.370 nan 0.000 0.525 200 V N 4.573 124.480 119.914 -0.012 0.000 3.253 200 V HA 0.085 4.209 4.120 0.006 0.000 0.320 200 V C 0.644 176.686 176.094 -0.087 0.000 1.442 200 V CA -0.120 62.158 62.300 -0.037 0.000 1.097 200 V CB -0.101 31.685 31.823 -0.062 0.000 1.008 200 V HN 0.515 nan 8.190 nan 0.000 0.463 201 Q N 0.721 120.452 119.800 -0.114 0.000 2.474 201 Q HA 0.271 4.614 4.340 0.006 0.000 0.256 201 Q C -0.107 175.590 176.000 -0.505 0.000 1.048 201 Q CA 0.291 55.911 55.803 -0.305 0.000 0.922 201 Q CB 1.559 30.077 28.738 -0.366 0.000 1.288 201 Q HN 0.491 nan 8.270 nan 0.000 0.484 202 V N -0.312 119.253 119.914 -0.582 0.000 2.481 202 V HA 0.474 4.597 4.120 0.006 0.000 0.286 202 V C -1.159 174.459 176.094 -0.793 0.000 1.042 202 V CA -0.633 61.341 62.300 -0.544 0.000 0.928 202 V CB 0.387 31.980 31.823 -0.384 0.000 0.986 202 V HN 0.553 nan 8.190 nan 0.000 0.462 203 Y N 3.550 123.707 120.300 -0.238 0.000 2.373 203 Y HA 0.504 5.057 4.550 0.004 0.000 0.336 203 Y C -2.055 173.623 175.900 -0.369 0.000 0.979 203 Y CA -2.194 55.746 58.100 -0.268 0.000 1.080 203 Y CB 2.265 40.628 38.460 -0.161 0.000 1.190 203 Y HN 0.386 nan 8.280 nan 0.000 0.446 204 P HA -0.218 nan 4.420 nan 0.000 0.215 204 P C 1.246 178.415 177.300 -0.218 0.000 1.153 204 P CA 2.344 65.135 63.100 -0.515 0.000 0.853 204 P CB 0.260 31.201 31.700 -1.266 0.000 0.788 205 A N -0.537 122.182 122.820 -0.170 0.000 2.172 205 A HA -0.122 4.201 4.320 0.006 0.000 0.216 205 A C 1.962 179.569 177.584 0.039 0.000 1.154 205 A CA 1.070 53.134 52.037 0.045 0.000 0.701 205 A CB -0.817 18.258 19.000 0.124 0.000 0.789 205 A HN 0.154 nan 8.150 nan 0.000 0.465 206 R N -1.938 118.566 120.500 0.007 0.000 2.334 206 R HA 0.258 4.601 4.340 0.006 0.000 0.212 206 R C 1.155 177.450 176.300 -0.008 0.000 0.897 206 R CA 0.541 56.658 56.100 0.029 0.000 1.056 206 R CB 0.279 30.610 30.300 0.053 0.000 1.046 206 R HN 0.615 nan 8.270 nan 0.000 0.513 207 G N 1.309 110.063 108.800 -0.077 0.000 2.141 207 G HA2 -0.278 3.685 3.960 0.006 0.000 0.231 207 G HA3 -0.278 3.685 3.960 0.006 0.000 0.231 207 G C 0.747 175.428 174.900 -0.364 0.000 0.984 207 G CA 0.624 45.670 45.100 -0.091 0.000 0.660 207 G HN 0.396 nan 8.290 nan 0.000 0.525 208 T N -2.061 112.203 114.554 -0.483 0.000 3.144 208 T HA 0.567 4.920 4.350 0.006 0.000 0.249 208 T C 0.361 174.819 174.700 -0.404 0.000 1.089 208 T CA 0.421 62.210 62.100 -0.519 0.000 0.989 208 T CB 1.124 69.705 68.868 -0.478 0.000 0.992 208 T HN 0.803 nan 8.240 nan 0.000 0.540 209 V N 1.162 120.821 119.914 -0.424 0.000 2.623 209 V HA 0.801 4.924 4.120 0.006 0.000 0.304 209 V C -0.251 175.396 176.094 -0.744 0.000 1.054 209 V CA -1.215 60.728 62.300 -0.596 0.000 0.882 209 V CB 1.400 32.806 31.823 -0.695 0.000 1.002 209 V HN 0.574 nan 8.190 nan 0.000 0.424 210 A N 4.522 126.851 122.820 -0.819 0.000 2.354 210 A HA 1.026 5.350 4.320 0.006 0.000 0.321 210 A C -1.274 175.598 177.584 -1.188 0.000 1.125 210 A CA -0.465 51.100 52.037 -0.787 0.000 0.799 210 A CB 1.260 20.022 19.000 -0.396 0.000 1.293 210 A HN 0.653 nan 8.150 nan 0.000 0.452 211 F N -0.162 119.347 119.950 -0.735 0.000 2.565 211 F HA 0.780 5.310 4.527 0.004 0.000 0.313 211 F C 0.717 176.169 175.800 -0.581 0.000 1.091 211 F CA 0.184 57.738 58.000 -0.742 0.000 0.915 211 F CB 2.700 41.113 39.000 -0.979 0.000 1.208 211 F HN 1.054 nan 8.300 nan 0.000 0.453 212 G N 0.278 108.896 108.800 -0.304 0.000 2.323 212 G HA2 0.413 4.376 3.960 0.006 0.000 0.291 212 G HA3 0.413 4.376 3.960 0.006 0.000 0.291 212 G C -1.970 172.451 174.900 -0.800 0.000 1.278 212 G CA -0.772 43.865 45.100 -0.771 0.000 0.860 212 G HN 0.689 nan 8.290 nan 0.000 0.504 213 S N -0.827 114.175 115.700 -1.162 0.000 2.756 213 S HA 0.554 5.028 4.470 0.006 0.000 0.303 213 S C 1.312 175.697 174.600 -0.357 0.000 1.135 213 S CA 0.750 58.606 58.200 -0.574 0.000 1.066 213 S CB 0.875 63.871 63.200 -0.341 0.000 1.008 213 S HN 1.820 nan 8.310 nan 0.000 0.482 214 G N 3.833 112.521 108.800 -0.187 0.000 2.442 214 G HA2 -0.150 3.813 3.960 0.006 0.000 0.219 214 G HA3 -0.150 3.813 3.960 0.006 0.000 0.219 214 G C 1.263 176.128 174.900 -0.058 0.000 1.141 214 G CA 1.063 46.104 45.100 -0.099 0.000 0.763 214 G HN 0.678 nan 8.290 nan 0.000 0.554 215 L N 0.298 121.481 121.223 -0.066 0.000 1.997 215 L HA -0.165 4.178 4.340 0.006 0.000 0.216 215 L C 2.392 179.166 176.870 -0.160 0.000 1.074 215 L CA 2.078 56.844 54.840 -0.124 0.000 0.763 215 L CB -0.618 41.339 42.059 -0.169 0.000 0.890 215 L HN 0.352 nan 8.230 nan 0.000 0.434 216 H N -0.917 118.211 119.070 0.097 0.000 2.553 216 H HA 0.289 4.848 4.556 0.005 0.000 0.265 216 H C 1.360 176.823 175.328 0.225 0.000 0.964 216 H CA 0.682 56.856 56.048 0.211 0.000 1.156 216 H CB 0.095 30.107 29.762 0.417 0.000 1.411 216 H HN 0.524 nan 8.280 nan 0.000 0.558 217 G N 1.396 110.307 108.800 0.186 0.000 2.182 217 G HA2 -0.194 3.769 3.960 0.006 0.000 0.248 217 G HA3 -0.194 3.769 3.960 0.006 0.000 0.248 217 G C -0.070 174.984 174.900 0.258 0.000 1.042 217 G CA 0.354 45.548 45.100 0.156 0.000 0.775 217 G HN 0.501 nan 8.290 nan 0.000 0.501 218 W N -1.079 120.329 121.300 0.180 0.000 2.844 218 W HA 0.858 5.521 4.660 0.004 0.000 0.340 218 W C -0.254 176.376 176.519 0.186 0.000 1.093 218 W CA -1.377 56.079 57.345 0.186 0.000 1.212 218 W CB 1.625 31.230 29.460 0.242 0.000 1.422 218 W HN 1.086 nan 8.180 nan 0.000 0.515 219 A N 2.979 126.063 122.820 0.440 0.000 2.601 219 A HA 0.872 5.195 4.320 0.006 0.000 0.291 219 A C -2.062 175.778 177.584 0.427 0.000 1.075 219 A CA -0.761 51.430 52.037 0.257 0.000 0.671 219 A CB 1.516 20.509 19.000 -0.013 0.000 1.277 219 A HN 1.161 nan 8.150 nan 0.000 0.417 220 F N -1.081 119.059 119.950 0.316 0.000 2.686 220 F HA 0.880 5.410 4.527 0.005 0.000 0.311 220 F C -0.280 175.716 175.800 0.326 0.000 1.128 220 F CA -0.145 58.047 58.000 0.320 0.000 0.946 220 F CB 1.307 40.609 39.000 0.504 0.000 1.336 220 F HN 0.931 nan 8.300 nan 0.000 0.457 221 T N -0.556 114.323 114.554 0.541 0.000 2.930 221 T HA 0.471 4.824 4.350 0.006 0.000 0.290 221 T C 0.688 175.784 174.700 0.659 0.000 1.052 221 T CA -0.836 61.523 62.100 0.430 0.000 1.017 221 T CB 1.569 70.546 68.868 0.181 0.000 1.137 221 T HN 0.658 nan 8.240 nan 0.000 0.511 222 I N 0.313 121.210 120.570 0.544 0.000 2.361 222 I HA -0.093 4.080 4.170 0.006 0.000 0.251 222 I C 2.614 178.959 176.117 0.380 0.000 1.133 222 I CA 1.355 62.960 61.300 0.509 0.000 1.413 222 I CB -1.062 37.176 38.000 0.397 0.000 1.073 222 I HN 0.816 nan 8.210 nan 0.000 0.424 223 R N 0.958 121.622 120.500 0.273 0.000 2.115 223 R HA -0.175 4.168 4.340 0.006 0.000 0.230 223 R C 2.211 178.608 176.300 0.162 0.000 1.111 223 R CA 1.226 57.437 56.100 0.185 0.000 0.976 223 R CB 0.012 30.394 30.300 0.137 0.000 0.870 223 R HN 0.445 nan 8.270 nan 0.000 0.445 224 Q N -0.937 118.973 119.800 0.183 0.000 2.119 224 Q HA -0.141 4.202 4.340 0.006 0.000 0.201 224 Q C 1.675 177.648 176.000 -0.046 0.000 0.972 224 Q CA 1.527 57.357 55.803 0.045 0.000 0.847 224 Q CB 0.018 28.766 28.738 0.018 0.000 0.903 224 Q HN 0.329 nan 8.270 nan 0.000 0.433 225 F N -0.143 119.871 119.950 0.107 0.000 2.335 225 F HA 0.016 4.547 4.527 0.007 0.000 0.296 225 F C 2.242 178.136 175.800 0.157 0.000 1.091 225 F CA 0.689 58.754 58.000 0.108 0.000 1.399 225 F CB -0.220 38.888 39.000 0.181 0.000 1.067 225 F HN 0.033 nan 8.300 nan 0.000 0.520 226 A N -0.442 122.563 122.820 0.309 0.000 1.933 226 A HA -0.179 4.145 4.320 0.006 0.000 0.218 226 A C 2.220 179.875 177.584 0.119 0.000 1.175 226 A CA 2.289 54.445 52.037 0.197 0.000 0.628 226 A CB -1.268 17.816 19.000 0.141 0.000 0.814 226 A HN 0.309 nan 8.150 nan 0.000 0.444 227 T N -0.576 114.019 114.554 0.069 0.000 2.788 227 T HA -0.129 4.224 4.350 0.006 0.000 0.268 227 T C 2.073 176.760 174.700 -0.021 0.000 1.044 227 T CA 1.470 63.580 62.100 0.016 0.000 1.139 227 T CB -0.206 68.655 68.868 -0.011 0.000 0.867 227 T HN 0.489 nan 8.240 nan 0.000 0.454 228 R N -0.137 120.309 120.500 -0.090 0.000 2.070 228 R HA -0.057 4.287 4.340 0.006 0.000 0.232 228 R C 2.096 178.295 176.300 -0.167 0.000 1.138 228 R CA 1.552 57.517 56.100 -0.224 0.000 0.936 228 R CB -0.363 29.651 30.300 -0.478 0.000 0.839 228 R HN 0.441 nan 8.270 nan 0.000 0.429 229 Y N -0.071 120.301 120.300 0.121 0.000 2.546 229 Y HA 0.126 4.680 4.550 0.006 0.000 0.287 229 Y C 2.098 178.131 175.900 0.222 0.000 1.158 229 Y CA 0.254 58.481 58.100 0.212 0.000 1.307 229 Y CB -0.307 38.228 38.460 0.126 0.000 1.036 229 Y HN 0.146 nan 8.280 nan 0.000 0.532 230 A N 0.924 123.868 122.820 0.207 0.000 1.917 230 A HA -0.254 4.070 4.320 0.006 0.000 0.219 230 A C 2.194 179.862 177.584 0.141 0.000 1.182 230 A CA 1.990 54.109 52.037 0.137 0.000 0.633 230 A CB -0.359 18.683 19.000 0.070 0.000 0.819 230 A HN 0.455 nan 8.150 nan 0.000 0.448 231 K N -0.014 120.452 120.400 0.110 0.000 1.991 231 K HA -0.055 4.269 4.320 0.006 0.000 0.207 231 K C 1.333 177.975 176.600 0.070 0.000 1.045 231 K CA 1.331 57.660 56.287 0.070 0.000 0.937 231 K CB -0.257 32.262 32.500 0.032 0.000 0.720 231 K HN 0.370 nan 8.250 nan 0.000 0.438 232 K N 0.283 120.720 120.400 0.063 0.000 2.611 232 K HA 0.018 4.341 4.320 0.006 0.000 0.193 232 K C 0.270 176.688 176.600 -0.304 0.000 1.026 232 K CA 0.559 56.795 56.287 -0.086 0.000 1.063 232 K CB 0.032 32.471 32.500 -0.102 0.000 0.839 232 K HN 0.107 nan 8.250 nan 0.000 0.505 233 F N -0.296 119.688 119.950 0.055 0.000 2.856 233 F HA 0.211 4.742 4.527 0.007 0.000 0.338 233 F C 0.959 176.792 175.800 0.055 0.000 1.100 233 F CA -0.437 57.600 58.000 0.061 0.000 1.150 233 F CB 1.163 40.186 39.000 0.038 0.000 1.101 233 F HN 0.092 nan 8.300 nan 0.000 0.548 234 G N 2.275 111.173 108.800 0.164 0.000 2.372 234 G HA2 -0.158 3.806 3.960 0.006 0.000 0.297 234 G HA3 -0.158 3.806 3.960 0.006 0.000 0.297 234 G C -0.628 174.331 174.900 0.098 0.000 1.005 234 G CA 0.435 45.599 45.100 0.107 0.000 1.173 234 G HN 0.226 nan 8.290 nan 0.000 0.511 235 V N 1.375 121.343 119.914 0.089 0.000 2.851 235 V HA 0.376 4.499 4.120 0.006 0.000 0.307 235 V C -0.244 175.859 176.094 0.015 0.000 1.129 235 V CA -0.734 61.585 62.300 0.031 0.000 0.932 235 V CB 2.156 33.968 31.823 -0.018 0.000 1.024 235 V HN 0.633 nan 8.190 nan 0.000 0.426 236 D N 4.311 124.709 120.400 -0.003 0.000 2.493 236 D HA -0.045 4.598 4.640 0.006 0.000 0.240 236 D C 1.103 177.395 176.300 -0.013 0.000 1.142 236 D CA -0.253 53.745 54.000 -0.003 0.000 0.872 236 D CB 0.900 41.695 40.800 -0.008 0.000 1.173 236 D HN 0.762 nan 8.370 nan 0.000 0.467 237 K N 1.634 122.036 120.400 0.004 0.000 2.360 237 K HA -0.178 4.145 4.320 0.006 0.000 0.201 237 K C 1.656 178.255 176.600 -0.001 0.000 1.046 237 K CA 1.087 57.380 56.287 0.009 0.000 0.940 237 K CB -0.298 32.221 32.500 0.031 0.000 0.748 237 K HN 0.371 nan 8.250 nan 0.000 0.465 238 A N 2.535 125.350 122.820 -0.008 0.000 1.877 238 A HA -0.211 4.113 4.320 0.006 0.000 0.216 238 A C 2.213 179.774 177.584 -0.038 0.000 1.186 238 A CA 1.897 53.927 52.037 -0.012 0.000 0.620 238 A CB -0.490 18.503 19.000 -0.013 0.000 0.822 238 A HN 0.458 nan 8.150 nan 0.000 0.443 239 K N -1.614 118.746 120.400 -0.067 0.000 2.155 239 K HA -0.090 4.233 4.320 0.006 0.000 0.203 239 K C 1.973 178.461 176.600 -0.187 0.000 1.052 239 K CA 1.495 57.710 56.287 -0.120 0.000 0.948 239 K CB -0.191 32.229 32.500 -0.134 0.000 0.728 239 K HN 0.327 nan 8.250 nan 0.000 0.448 240 M N 1.537 121.037 119.600 -0.167 0.000 2.099 240 M HA -0.084 4.399 4.480 0.006 0.000 0.262 240 M C 1.926 178.143 176.300 -0.139 0.000 1.067 240 M CA 1.650 56.813 55.300 -0.227 0.000 1.124 240 M CB -0.199 32.318 32.600 -0.138 0.000 1.353 240 M HN 0.333 nan 8.290 nan 0.000 0.410 241 M N -2.600 116.986 119.600 -0.024 0.000 2.492 241 M HA 0.028 4.511 4.480 0.006 0.000 0.262 241 M C 1.251 177.595 176.300 0.074 0.000 1.090 241 M CA 1.577 56.919 55.300 0.069 0.000 1.110 241 M CB -0.863 31.806 32.600 0.115 0.000 1.407 241 M HN 0.075 nan 8.290 nan 0.000 0.470 242 D N 1.551 121.953 120.400 0.003 0.000 2.219 242 D HA -0.073 4.571 4.640 0.006 0.000 0.205 242 D C 1.949 178.253 176.300 0.006 0.000 0.970 242 D CA 1.091 55.097 54.000 0.010 0.000 0.851 242 D CB 0.095 40.871 40.800 -0.039 0.000 0.943 242 D HN 0.464 nan 8.370 nan 0.000 0.488 243 R N -0.667 119.782 120.500 -0.084 0.000 2.140 243 R HA 0.197 4.541 4.340 0.006 0.000 0.213 243 R C 2.039 178.367 176.300 0.047 0.000 1.059 243 R CA 0.104 56.132 56.100 -0.119 0.000 1.000 243 R CB 0.050 30.063 30.300 -0.479 0.000 0.910 243 R HN 0.177 nan 8.270 nan 0.000 0.455 244 L N 0.283 121.574 121.223 0.114 0.000 2.700 244 L HA 0.004 4.347 4.340 0.006 0.000 0.240 244 L C 0.212 177.385 176.870 0.505 0.000 1.162 244 L CA 0.278 55.281 54.840 0.273 0.000 0.874 244 L CB -0.105 42.114 42.059 0.266 0.000 1.001 244 L HN 0.267 nan 8.230 nan 0.000 0.447 245 W N -0.404 120.982 121.300 0.143 0.000 3.256 245 W HA 0.437 5.100 4.660 0.005 0.000 0.324 245 W C 0.290 176.847 176.519 0.063 0.000 1.196 245 W CA 0.223 57.645 57.345 0.130 0.000 1.206 245 W CB 1.687 31.224 29.460 0.128 0.000 1.385 245 W HN 0.034 nan 8.180 nan 0.000 0.522 246 G N 3.565 112.086 108.800 -0.464 0.000 2.527 246 G HA2 -0.243 3.720 3.960 0.006 0.000 0.227 246 G HA3 -0.243 3.720 3.960 0.006 0.000 0.227 246 G C -0.683 174.029 174.900 -0.312 0.000 1.291 246 G CA -0.040 44.908 45.100 -0.252 0.000 0.904 246 G HN 0.414 nan 8.290 nan 0.000 0.577 247 D N 1.761 122.049 120.400 -0.186 0.000 2.741 247 D HA 0.507 5.151 4.640 0.006 0.000 0.233 247 D C -0.072 176.030 176.300 -0.331 0.000 1.160 247 D CA 0.434 54.282 54.000 -0.253 0.000 1.003 247 D CB 0.434 41.298 40.800 0.107 0.000 1.064 247 D HN 0.402 nan 8.370 nan 0.000 0.503 248 S N 0.673 116.027 115.700 -0.575 0.000 2.478 248 S HA 0.568 5.042 4.470 0.006 0.000 0.312 248 S C -0.568 173.764 174.600 -0.448 0.000 1.094 248 S CA -0.614 57.441 58.200 -0.241 0.000 1.081 248 S CB 0.920 64.135 63.200 0.026 0.000 1.007 248 S HN 0.099 nan 8.310 nan 0.000 0.475 249 F N 2.375 122.480 119.950 0.259 0.000 2.518 249 F HA 0.467 4.996 4.527 0.003 0.000 0.323 249 F C -0.555 175.251 175.800 0.011 0.000 1.129 249 F CA -0.918 57.142 58.000 0.100 0.000 0.920 249 F CB 1.096 40.097 39.000 0.001 0.000 1.160 249 F HN 0.533 nan 8.300 nan 0.000 0.440 250 F N 4.649 124.436 119.950 -0.272 0.000 2.334 250 F HA 0.368 4.898 4.527 0.005 0.000 0.367 250 F C 0.268 175.883 175.800 -0.309 0.000 1.115 250 F CA -0.734 56.876 58.000 -0.651 0.000 1.116 250 F CB 0.254 38.589 39.000 -1.110 0.000 1.230 250 F HN 0.404 nan 8.300 nan 0.000 0.484 251 N N 8.184 126.494 118.700 -0.650 0.000 2.427 251 N HA 0.083 4.826 4.740 0.006 0.000 0.269 251 N C -1.954 173.164 175.510 -0.653 0.000 1.235 251 N CA -1.535 51.220 53.050 -0.491 0.000 0.934 251 N CB 1.307 39.588 38.487 -0.344 0.000 1.121 251 N HN 0.333 nan 8.380 nan 0.000 0.480 252 P HA -0.041 nan 4.420 nan 0.000 0.221 252 P C 0.653 177.855 177.300 -0.163 0.000 1.150 252 P CA 1.281 64.270 63.100 -0.185 0.000 0.800 252 P CB 0.427 32.080 31.700 -0.080 0.000 0.787 253 K N -0.929 119.367 120.400 -0.173 0.000 2.116 253 K HA -0.009 4.314 4.320 0.006 0.000 0.203 253 K C 1.871 178.392 176.600 -0.131 0.000 1.052 253 K CA 1.811 58.025 56.287 -0.122 0.000 0.952 253 K CB -0.452 31.986 32.500 -0.105 0.000 0.729 253 K HN 0.248 nan 8.250 nan 0.000 0.446 254 T N -2.461 111.977 114.554 -0.194 0.000 3.022 254 T HA 0.160 4.513 4.350 0.006 0.000 0.250 254 T C 0.330 174.907 174.700 -0.205 0.000 1.060 254 T CA -0.222 61.778 62.100 -0.167 0.000 1.013 254 T CB 0.163 68.939 68.868 -0.153 0.000 0.982 254 T HN -0.121 nan 8.240 nan 0.000 0.508 255 K N 0.643 120.818 120.400 -0.374 0.000 3.071 255 K HA -0.106 4.217 4.320 0.006 0.000 0.265 255 K C -0.493 175.854 176.600 -0.422 0.000 1.060 255 K CA 0.605 56.633 56.287 -0.431 0.000 0.767 255 K CB -1.815 30.694 32.500 0.014 0.000 1.241 255 K HN 0.568 nan 8.250 nan 0.000 0.486 256 K N -0.757 119.272 120.400 -0.618 0.000 2.318 256 K HA 0.420 4.743 4.320 0.006 0.000 0.249 256 K C -0.555 175.871 176.600 -0.290 0.000 0.942 256 K CA -0.874 55.264 56.287 -0.248 0.000 0.808 256 K CB 1.022 33.456 32.500 -0.110 0.000 1.189 256 K HN 0.058 nan 8.250 nan 0.000 0.428 257 W N 1.014 122.376 121.300 0.103 0.000 2.376 257 W HA 0.293 4.956 4.660 0.004 0.000 0.322 257 W C -0.054 176.528 176.519 0.105 0.000 1.160 257 W CA 0.082 57.532 57.345 0.174 0.000 1.218 257 W CB 1.693 31.273 29.460 0.202 0.000 1.205 257 W HN 0.407 nan 8.180 nan 0.000 0.559 258 T N 1.039 115.834 114.554 0.401 0.000 2.843 258 T HA 0.210 4.563 4.350 0.006 0.000 0.302 258 T C -0.197 174.723 174.700 0.366 0.000 1.232 258 T CA -0.987 61.282 62.100 0.282 0.000 1.009 258 T CB 1.548 70.511 68.868 0.158 0.000 1.254 258 T HN 0.357 nan 8.240 nan 0.000 0.504 259 N N -0.506 118.359 118.700 0.276 0.000 2.184 259 N HA 0.167 4.910 4.740 0.006 0.000 0.206 259 N C -0.117 175.563 175.510 0.283 0.000 1.151 259 N CA -0.149 53.085 53.050 0.307 0.000 0.878 259 N CB 0.758 39.350 38.487 0.175 0.000 1.014 259 N HN 0.302 nan 8.380 nan 0.000 0.512 260 K N 1.558 122.040 120.400 0.137 0.000 2.213 260 K HA 0.073 4.396 4.320 0.006 0.000 0.270 260 K C -0.356 175.974 176.600 -0.451 0.000 1.002 260 K CA -0.550 55.689 56.287 -0.079 0.000 0.868 260 K CB 0.772 33.235 32.500 -0.062 0.000 1.093 260 K HN 0.034 nan 8.250 nan 0.000 0.454 261 D N 2.156 122.132 120.400 -0.706 0.000 2.323 261 D HA -0.039 4.604 4.640 0.006 0.000 0.239 261 D C -0.371 175.564 176.300 -0.609 0.000 1.129 261 D CA -0.065 53.192 54.000 -1.237 0.000 0.865 261 D CB -0.045 40.189 40.800 -0.944 0.000 0.913 261 D HN 0.455 nan 8.370 nan 0.000 0.517 262 T N -2.255 112.068 114.554 -0.385 0.000 2.933 262 T HA 0.417 4.771 4.350 0.006 0.000 0.305 262 T C -0.502 174.091 174.700 -0.179 0.000 1.092 262 T CA -1.057 60.900 62.100 -0.239 0.000 1.008 262 T CB 2.587 71.353 68.868 -0.169 0.000 1.102 262 T HN 0.008 nan 8.240 nan 0.000 0.469 263 D N 1.766 122.078 120.400 -0.146 0.000 2.440 263 D HA 0.457 5.101 4.640 0.006 0.000 0.269 263 D C 1.766 178.014 176.300 -0.087 0.000 1.249 263 D CA -0.255 53.677 54.000 -0.113 0.000 1.055 263 D CB 0.051 40.786 40.800 -0.108 0.000 1.104 263 D HN 0.668 nan 8.370 nan 0.000 0.561 264 A N -0.404 122.373 122.820 -0.071 0.000 1.940 264 A HA -0.213 4.110 4.320 0.006 0.000 0.219 264 A C 1.847 179.399 177.584 -0.054 0.000 1.176 264 A CA 1.544 53.548 52.037 -0.056 0.000 0.631 264 A CB -0.839 18.133 19.000 -0.047 0.000 0.814 264 A HN 0.687 nan 8.150 nan 0.000 0.446 265 E N -1.422 118.744 120.200 -0.057 0.000 2.502 265 E HA 0.256 4.610 4.350 0.006 0.000 0.194 265 E C 0.935 177.501 176.600 -0.057 0.000 1.062 265 E CA 0.231 56.600 56.400 -0.052 0.000 0.867 265 E CB -0.183 29.487 29.700 -0.050 0.000 0.888 265 E HN 0.770 nan 8.360 nan 0.000 0.510 266 G N 2.264 111.024 108.800 -0.067 0.000 2.137 266 G HA2 -0.294 3.670 3.960 0.006 0.000 0.237 266 G HA3 -0.294 3.670 3.960 0.006 0.000 0.237 266 G C -0.101 174.750 174.900 -0.081 0.000 1.002 266 G CA -0.016 45.040 45.100 -0.073 0.000 0.702 266 G HN 0.144 nan 8.290 nan 0.000 0.515 267 K N 0.767 121.114 120.400 -0.089 0.000 2.172 267 K HA 0.458 4.781 4.320 0.006 0.000 0.276 267 K C -2.450 174.077 176.600 -0.122 0.000 1.013 267 K CA -1.974 54.257 56.287 -0.093 0.000 0.913 267 K CB 1.301 33.750 32.500 -0.084 0.000 1.055 267 K HN 0.001 nan 8.250 nan 0.000 0.461 268 P HA 0.016 nan 4.420 nan 0.000 0.268 268 P C -0.840 176.366 177.300 -0.158 0.000 1.204 268 P CA 0.224 63.237 63.100 -0.146 0.000 0.768 268 P CB 0.482 32.117 31.700 -0.107 0.000 0.842 269 L N 2.133 123.220 121.223 -0.226 0.000 2.334 269 L HA 0.391 4.735 4.340 0.006 0.000 0.276 269 L C 0.834 177.697 176.870 -0.012 0.000 1.014 269 L CA -0.806 53.934 54.840 -0.166 0.000 0.815 269 L CB 1.533 43.441 42.059 -0.251 0.000 1.268 269 L HN 0.355 nan 8.230 nan 0.000 0.428 270 E N 3.577 123.800 120.200 0.038 0.000 2.289 270 E HA 0.166 4.519 4.350 0.006 0.000 0.278 270 E C -0.253 176.445 176.600 0.164 0.000 1.032 270 E CA -0.697 55.731 56.400 0.047 0.000 0.854 270 E CB 0.887 30.531 29.700 -0.093 0.000 1.046 270 E HN 0.475 nan 8.360 nan 0.000 0.409 271 R N 2.958 123.485 120.500 0.046 0.000 2.738 271 R HA 0.212 4.556 4.340 0.006 0.000 0.268 271 R C 0.693 176.863 176.300 -0.216 0.000 1.062 271 R CA 0.319 56.223 56.100 -0.327 0.000 1.158 271 R CB 0.596 30.534 30.300 -0.604 0.000 1.046 271 R HN 0.515 nan 8.270 nan 0.000 0.493 272 A N 2.557 125.300 122.820 -0.127 0.000 1.940 272 A HA -0.195 4.129 4.320 0.006 0.000 0.219 272 A C 1.864 179.511 177.584 0.104 0.000 1.176 272 A CA 1.273 53.399 52.037 0.149 0.000 0.631 272 A CB -0.794 18.466 19.000 0.432 0.000 0.814 272 A HN 0.867 nan 8.150 nan 0.000 0.446 273 F N 1.557 121.435 119.950 -0.120 0.000 2.126 273 F HA -0.215 4.316 4.527 0.007 0.000 0.299 273 F C 1.861 177.566 175.800 -0.159 0.000 1.096 273 F CA 2.130 60.080 58.000 -0.084 0.000 1.255 273 F CB -0.199 38.757 39.000 -0.074 0.000 0.997 273 F HN 0.240 nan 8.300 nan 0.000 0.479 274 N N -0.259 118.346 118.700 -0.158 0.000 2.270 274 N HA -0.126 4.618 4.740 0.006 0.000 0.181 274 N C 1.877 177.172 175.510 -0.358 0.000 1.016 274 N CA 1.337 54.224 53.050 -0.270 0.000 0.870 274 N CB -0.376 37.971 38.487 -0.232 0.000 0.979 274 N HN 0.397 nan 8.380 nan 0.000 0.431 275 M N -1.255 118.112 119.600 -0.387 0.000 2.325 275 M HA 0.088 4.572 4.480 0.006 0.000 0.265 275 M C 0.576 176.499 176.300 -0.628 0.000 1.094 275 M CA 1.274 56.237 55.300 -0.562 0.000 1.161 275 M CB 0.187 32.314 32.600 -0.788 0.000 1.358 275 M HN -0.032 nan 8.290 nan 0.000 0.446 276 F N -0.953 118.818 119.950 -0.299 0.000 2.656 276 F HA 0.200 4.731 4.527 0.005 0.000 0.291 276 F C 1.682 177.310 175.800 -0.287 0.000 1.122 276 F CA 0.425 58.231 58.000 -0.324 0.000 1.427 276 F CB 0.027 38.639 39.000 -0.648 0.000 1.125 276 F HN 0.036 nan 8.300 nan 0.000 0.583 277 I N -1.167 119.137 120.570 -0.443 0.000 3.196 277 I HA -0.060 4.113 4.170 0.006 0.000 0.248 277 I C 1.972 177.681 176.117 -0.680 0.000 1.105 277 I CA 0.424 61.134 61.300 -0.984 0.000 1.482 277 I CB -0.326 36.827 38.000 -1.411 0.000 1.400 277 I HN -0.071 nan 8.210 nan 0.000 0.464 278 L N 0.778 121.644 121.223 -0.594 0.000 2.056 278 L HA -0.211 4.132 4.340 0.006 0.000 0.207 278 L C 2.177 178.967 176.870 -0.133 0.000 1.078 278 L CA 1.595 56.267 54.840 -0.281 0.000 0.749 278 L CB -0.606 41.248 42.059 -0.342 0.000 0.901 278 L HN 0.321 nan 8.230 nan 0.000 0.433 279 D N 0.023 120.278 120.400 -0.242 0.000 2.092 279 D HA -0.152 4.491 4.640 0.006 0.000 0.193 279 D C -0.624 175.682 176.300 0.010 0.000 0.994 279 D CA 1.451 55.364 54.000 -0.146 0.000 0.828 279 D CB -0.709 39.977 40.800 -0.190 0.000 0.963 279 D HN 0.102 nan 8.370 nan 0.000 0.450 280 P HA -0.107 nan 4.420 nan 0.000 0.215 280 P C 1.477 178.835 177.300 0.097 0.000 1.153 280 P CA 1.144 64.291 63.100 0.079 0.000 0.853 280 P CB -0.051 31.767 31.700 0.196 0.000 0.788 281 I N -2.693 117.970 120.570 0.156 0.000 2.202 281 I HA -0.215 3.959 4.170 0.006 0.000 0.242 281 I C 2.112 178.359 176.117 0.216 0.000 1.091 281 I CA 1.319 62.725 61.300 0.177 0.000 1.368 281 I CB -0.736 37.329 38.000 0.109 0.000 1.058 281 I HN -0.166 nan 8.210 nan 0.000 0.410 282 F N 1.340 121.271 119.950 -0.031 0.000 2.161 282 F HA -0.178 4.351 4.527 0.004 0.000 0.300 282 F C 2.709 178.533 175.800 0.040 0.000 1.089 282 F CA 1.451 59.437 58.000 -0.024 0.000 1.282 282 F CB -0.617 38.348 39.000 -0.058 0.000 1.010 282 F HN -0.098 nan 8.300 nan 0.000 0.485 283 R N -0.159 120.455 120.500 0.192 0.000 2.081 283 R HA -0.128 4.215 4.340 0.006 0.000 0.235 283 R C 2.239 178.565 176.300 0.042 0.000 1.131 283 R CA 1.180 57.333 56.100 0.088 0.000 0.960 283 R CB -0.532 29.791 30.300 0.037 0.000 0.856 283 R HN 0.303 nan 8.270 nan 0.000 0.436 284 L N -0.733 120.509 121.223 0.032 0.000 2.017 284 L HA -0.173 4.170 4.340 0.006 0.000 0.208 284 L C 2.112 178.944 176.870 -0.064 0.000 1.073 284 L CA 1.393 56.200 54.840 -0.055 0.000 0.745 284 L CB -0.431 41.559 42.059 -0.115 0.000 0.894 284 L HN 0.145 nan 8.230 nan 0.000 0.432 285 F N 0.031 119.886 119.950 -0.159 0.000 2.126 285 F HA -0.261 4.271 4.527 0.008 0.000 0.299 285 F C 2.627 178.339 175.800 -0.148 0.000 1.096 285 F CA 1.831 59.723 58.000 -0.179 0.000 1.255 285 F CB -0.500 38.362 39.000 -0.229 0.000 0.997 285 F HN 0.037 nan 8.300 nan 0.000 0.479 286 T N -0.523 114.079 114.554 0.080 0.000 2.770 286 T HA -0.107 4.247 4.350 0.006 0.000 0.263 286 T C 2.236 176.917 174.700 -0.032 0.000 1.039 286 T CA 1.122 63.239 62.100 0.028 0.000 1.142 286 T CB -0.602 68.300 68.868 0.056 0.000 0.868 286 T HN 0.283 nan 8.240 nan 0.000 0.435 287 A N 1.278 124.072 122.820 -0.044 0.000 1.858 287 A HA -0.014 4.309 4.320 0.006 0.000 0.216 287 A C 2.296 179.800 177.584 -0.134 0.000 1.190 287 A CA 1.266 53.263 52.037 -0.068 0.000 0.617 287 A CB -0.798 18.164 19.000 -0.063 0.000 0.827 287 A HN 0.498 nan 8.150 nan 0.000 0.443 288 I N -0.796 119.658 120.570 -0.194 0.000 2.202 288 I HA -0.228 3.945 4.170 0.006 0.000 0.242 288 I C 2.374 178.202 176.117 -0.482 0.000 1.091 288 I CA 1.139 62.262 61.300 -0.295 0.000 1.368 288 I CB -0.336 37.476 38.000 -0.314 0.000 1.058 288 I HN 0.246 nan 8.210 nan 0.000 0.410 289 M N -0.012 119.347 119.600 -0.402 0.000 2.476 289 M HA -0.083 4.401 4.480 0.006 0.000 0.262 289 M C 1.229 177.261 176.300 -0.448 0.000 1.079 289 M CA 1.310 56.336 55.300 -0.458 0.000 1.104 289 M CB -1.165 31.309 32.600 -0.209 0.000 1.409 289 M HN 0.308 nan 8.290 nan 0.000 0.467 290 N N -0.255 118.291 118.700 -0.257 0.000 2.268 290 N HA 0.069 4.812 4.740 0.006 0.000 0.204 290 N C -0.527 175.052 175.510 0.115 0.000 1.124 290 N CA -0.034 53.007 53.050 -0.015 0.000 0.838 290 N CB 0.354 38.857 38.487 0.026 0.000 0.994 290 N HN 0.204 nan 8.380 nan 0.000 0.489 291 F N 0.777 120.720 119.950 -0.012 0.000 3.067 291 F HA -0.239 4.292 4.527 0.006 0.000 0.279 291 F C 0.091 175.885 175.800 -0.011 0.000 0.945 291 F CA 0.531 58.523 58.000 -0.013 0.000 0.948 291 F CB -2.154 36.842 39.000 -0.008 0.000 0.898 291 F HN -0.087 nan 8.300 nan 0.000 0.746 292 K N 1.232 121.677 120.400 0.075 0.000 2.187 292 K HA 0.093 4.416 4.320 0.006 0.000 0.242 292 K C 1.352 177.971 176.600 0.031 0.000 1.179 292 K CA -0.245 56.073 56.287 0.051 0.000 1.097 292 K CB 0.246 32.759 32.500 0.022 0.000 1.634 292 K HN 0.476 nan 8.250 nan 0.000 0.335 293 K N 0.021 120.453 120.400 0.052 0.000 2.360 293 K HA -0.183 4.141 4.320 0.006 0.000 0.201 293 K C 0.156 176.765 176.600 0.014 0.000 1.046 293 K CA 1.359 57.667 56.287 0.035 0.000 0.940 293 K CB 0.174 32.702 32.500 0.046 0.000 0.748 293 K HN 0.226 nan 8.250 nan 0.000 0.465 294 D N 1.290 121.698 120.400 0.012 0.000 2.271 294 D HA -0.033 4.611 4.640 0.006 0.000 0.206 294 D C 1.542 177.839 176.300 -0.004 0.000 0.967 294 D CA 0.746 54.748 54.000 0.004 0.000 0.867 294 D CB 0.196 41.001 40.800 0.007 0.000 0.960 294 D HN 0.418 nan 8.370 nan 0.000 0.509 295 E N 0.429 120.625 120.200 -0.007 0.000 2.060 295 E HA 0.014 4.368 4.350 0.006 0.000 0.189 295 E C 2.291 178.873 176.600 -0.030 0.000 0.974 295 E CA 0.155 56.545 56.400 -0.017 0.000 0.808 295 E CB 0.183 29.874 29.700 -0.016 0.000 0.768 295 E HN 0.219 nan 8.360 nan 0.000 0.453 296 I N 1.729 122.277 120.570 -0.036 0.000 2.113 296 I HA -0.277 3.896 4.170 0.006 0.000 0.242 296 I C -0.678 175.408 176.117 -0.053 0.000 1.057 296 I CA 1.527 62.794 61.300 -0.055 0.000 1.314 296 I CB -1.693 36.273 38.000 -0.056 0.000 1.022 296 I HN 0.088 nan 8.210 nan 0.000 0.408 297 P HA -0.122 nan 4.420 nan 0.000 0.214 297 P C 2.024 179.302 177.300 -0.036 0.000 1.163 297 P CA 1.287 64.367 63.100 -0.033 0.000 0.883 297 P CB -0.046 31.642 31.700 -0.020 0.000 0.788 298 V N -0.781 119.115 119.914 -0.031 0.000 2.392 298 V HA -0.205 3.918 4.120 0.006 0.000 0.249 298 V C 2.378 178.448 176.094 -0.041 0.000 1.059 298 V CA 1.463 63.746 62.300 -0.029 0.000 1.051 298 V CB -1.139 30.671 31.823 -0.021 0.000 0.658 298 V HN 0.054 nan 8.190 nan 0.000 0.455 299 L N -0.997 120.195 121.223 -0.053 0.000 2.156 299 L HA -0.019 4.325 4.340 0.006 0.000 0.208 299 L C 2.053 178.859 176.870 -0.107 0.000 1.095 299 L CA 1.668 56.464 54.840 -0.075 0.000 0.770 299 L CB -0.524 41.486 42.059 -0.081 0.000 0.914 299 L HN 0.166 nan 8.230 nan 0.000 0.439 300 L N -0.568 120.595 121.223 -0.101 0.000 2.072 300 L HA -0.126 4.218 4.340 0.006 0.000 0.205 300 L C 2.530 179.348 176.870 -0.085 0.000 1.079 300 L CA 1.511 56.283 54.840 -0.114 0.000 0.752 300 L CB -1.088 40.918 42.059 -0.088 0.000 0.906 300 L HN 0.387 nan 8.230 nan 0.000 0.436 301 E N 0.071 120.237 120.200 -0.057 0.000 2.153 301 E HA -0.277 4.076 4.350 0.006 0.000 0.194 301 E C 2.173 178.751 176.600 -0.038 0.000 0.988 301 E CA 1.058 57.434 56.400 -0.039 0.000 0.811 301 E CB 0.128 29.812 29.700 -0.027 0.000 0.746 301 E HN 0.423 nan 8.360 nan 0.000 0.466 302 K N 0.399 120.772 120.400 -0.046 0.000 2.057 302 K HA -0.104 4.219 4.320 0.006 0.000 0.207 302 K C 1.950 178.527 176.600 -0.038 0.000 1.049 302 K CA 1.047 57.313 56.287 -0.034 0.000 0.931 302 K CB -0.003 32.477 32.500 -0.033 0.000 0.714 302 K HN 0.176 nan 8.250 nan 0.000 0.440 303 L N 0.704 121.876 121.223 -0.084 0.000 2.611 303 L HA 0.126 4.470 4.340 0.006 0.000 0.229 303 L C 0.061 176.905 176.870 -0.042 0.000 1.137 303 L CA -0.016 54.768 54.840 -0.094 0.000 0.901 303 L CB -0.126 41.743 42.059 -0.316 0.000 1.098 303 L HN 0.312 nan 8.230 nan 0.000 0.456 304 E N 1.688 121.866 120.200 -0.037 0.000 2.230 304 E HA -0.228 4.125 4.350 0.006 0.000 0.206 304 E C -0.410 176.189 176.600 -0.003 0.000 1.309 304 E CA 0.017 56.409 56.400 -0.014 0.000 0.697 304 E CB -0.855 28.846 29.700 0.001 0.000 1.146 304 E HN 0.470 nan 8.360 nan 0.000 0.363 305 I N 2.278 122.829 120.570 -0.031 0.000 2.337 305 I HA 0.217 4.391 4.170 0.006 0.000 0.285 305 I C 0.161 176.269 176.117 -0.014 0.000 1.041 305 I CA -0.964 60.327 61.300 -0.015 0.000 1.199 305 I CB 1.233 39.194 38.000 -0.066 0.000 1.370 305 I HN -0.082 nan 8.210 nan 0.000 0.470 306 V N 7.155 127.071 119.914 0.004 0.000 2.432 306 V HA 0.390 4.513 4.120 0.006 0.000 0.275 306 V C 0.434 176.532 176.094 0.006 0.000 1.043 306 V CA -0.489 61.812 62.300 0.002 0.000 0.925 306 V CB 1.240 33.067 31.823 0.007 0.000 0.985 306 V HN 0.506 nan 8.190 nan 0.000 0.466 307 L N 3.949 125.173 121.223 0.001 0.000 2.376 307 L HA 0.717 5.061 4.340 0.006 0.000 0.267 307 L C 0.038 176.913 176.870 0.007 0.000 1.035 307 L CA -0.976 53.867 54.840 0.005 0.000 0.800 307 L CB 1.247 43.304 42.059 -0.002 0.000 1.290 307 L HN 0.417 nan 8.230 nan 0.000 0.462 308 K N 0.296 120.702 120.400 0.010 0.000 2.507 308 K HA 0.348 4.671 4.320 0.006 0.000 0.252 308 K C 0.351 176.958 176.600 0.011 0.000 0.943 308 K CA 0.199 56.493 56.287 0.011 0.000 0.808 308 K CB 1.626 34.134 32.500 0.014 0.000 1.142 308 K HN 0.783 nan 8.250 nan 0.000 0.426 309 G N 4.260 113.065 108.800 0.009 0.000 2.713 309 G HA2 -0.451 3.512 3.960 0.006 0.000 0.368 309 G HA3 -0.451 3.512 3.960 0.006 0.000 0.368 309 G C 0.969 175.876 174.900 0.011 0.000 1.095 309 G CA 1.221 46.326 45.100 0.009 0.000 0.935 309 G HN 0.670 nan 8.290 nan 0.000 0.696 310 D N 1.136 121.543 120.400 0.012 0.000 2.158 310 D HA -0.058 4.586 4.640 0.006 0.000 0.197 310 D C 2.464 178.774 176.300 0.016 0.000 0.995 310 D CA 1.562 55.570 54.000 0.015 0.000 0.846 310 D CB -0.362 40.448 40.800 0.016 0.000 0.941 310 D HN 0.772 nan 8.370 nan 0.000 0.456 311 E N 0.328 120.537 120.200 0.015 0.000 2.268 311 E HA -0.104 4.250 4.350 0.006 0.000 0.195 311 E C 1.667 178.273 176.600 0.010 0.000 0.995 311 E CA 0.559 56.968 56.400 0.015 0.000 0.836 311 E CB 0.055 29.764 29.700 0.015 0.000 0.763 311 E HN 0.281 nan 8.360 nan 0.000 0.491 312 K N 0.547 120.952 120.400 0.008 0.000 2.525 312 K HA -0.078 4.246 4.320 0.006 0.000 0.192 312 K C 0.933 177.539 176.600 0.010 0.000 1.029 312 K CA 0.597 56.888 56.287 0.005 0.000 1.029 312 K CB 0.233 32.735 32.500 0.004 0.000 0.814 312 K HN -0.005 nan 8.250 nan 0.000 0.503 313 D N 0.285 120.694 120.400 0.015 0.000 2.407 313 D HA 0.096 4.739 4.640 0.006 0.000 0.208 313 D C 0.294 176.613 176.300 0.030 0.000 1.083 313 D CA -0.040 53.972 54.000 0.021 0.000 0.844 313 D CB 0.473 41.285 40.800 0.019 0.000 0.967 313 D HN -0.013 nan 8.370 nan 0.000 0.506 314 L N 1.191 122.431 121.223 0.027 0.000 2.476 314 L HA 0.261 4.604 4.340 0.006 0.000 0.264 314 L C 0.666 177.564 176.870 0.047 0.000 1.224 314 L CA 0.227 55.089 54.840 0.036 0.000 0.821 314 L CB 0.558 42.631 42.059 0.024 0.000 1.101 314 L HN 0.087 nan 8.230 nan 0.000 0.488 315 E N -0.230 120.014 120.200 0.074 0.000 2.423 315 E HA 0.602 4.955 4.350 0.006 0.000 0.280 315 E C -0.171 176.491 176.600 0.103 0.000 1.030 315 E CA -0.544 55.923 56.400 0.111 0.000 0.812 315 E CB 1.406 31.271 29.700 0.276 0.000 1.313 315 E HN 0.705 nan 8.360 nan 0.000 0.456 316 G N 1.616 110.367 108.800 -0.081 0.000 2.552 316 G HA2 -0.379 3.584 3.960 0.006 0.000 0.265 316 G HA3 -0.379 3.584 3.960 0.006 0.000 0.265 316 G C 0.545 175.364 174.900 -0.136 0.000 1.234 316 G CA 0.413 45.406 45.100 -0.179 0.000 0.944 316 G HN 0.589 nan 8.290 nan 0.000 0.568 317 K N 0.388 120.765 120.400 -0.038 0.000 2.103 317 K HA -0.001 4.323 4.320 0.006 0.000 0.207 317 K C 3.102 179.715 176.600 0.022 0.000 1.048 317 K CA 1.832 58.115 56.287 -0.007 0.000 0.930 317 K CB -0.429 32.133 32.500 0.103 0.000 0.716 317 K HN 0.713 nan 8.250 nan 0.000 0.444 318 A N 1.508 124.352 122.820 0.041 0.000 1.892 318 A HA -0.203 4.121 4.320 0.006 0.000 0.218 318 A C 2.098 179.692 177.584 0.017 0.000 1.188 318 A CA 1.462 53.528 52.037 0.048 0.000 0.631 318 A CB -0.583 18.449 19.000 0.053 0.000 0.822 318 A HN 0.259 nan 8.150 nan 0.000 0.447 319 L N -0.945 120.266 121.223 -0.021 0.000 2.056 319 L HA -0.048 4.295 4.340 0.006 0.000 0.207 319 L C 2.224 179.034 176.870 -0.100 0.000 1.078 319 L CA 1.942 56.752 54.840 -0.051 0.000 0.749 319 L CB -0.654 41.364 42.059 -0.068 0.000 0.901 319 L HN 0.353 nan 8.230 nan 0.000 0.433 320 L N -0.046 121.074 121.223 -0.172 0.000 2.079 320 L HA -0.234 4.109 4.340 0.006 0.000 0.210 320 L C 2.540 179.290 176.870 -0.201 0.000 1.081 320 L CA 2.094 56.754 54.840 -0.300 0.000 0.752 320 L CB -0.814 40.953 42.059 -0.487 0.000 0.896 320 L HN 0.406 nan 8.230 nan 0.000 0.433 321 K N -1.272 119.107 120.400 -0.036 0.000 2.057 321 K HA -0.110 4.213 4.320 0.006 0.000 0.206 321 K C 1.858 178.526 176.600 0.113 0.000 1.050 321 K CA 1.613 57.987 56.287 0.145 0.000 0.935 321 K CB -0.038 32.623 32.500 0.268 0.000 0.715 321 K HN 0.292 nan 8.250 nan 0.000 0.439 322 V N 0.613 120.561 119.914 0.057 0.000 2.307 322 V HA -0.203 3.920 4.120 0.006 0.000 0.245 322 V C 2.296 178.417 176.094 0.045 0.000 1.045 322 V CA 1.378 63.711 62.300 0.055 0.000 1.024 322 V CB -0.072 31.771 31.823 0.033 0.000 0.651 322 V HN 0.147 nan 8.190 nan 0.000 0.449 323 V N -0.543 119.367 119.914 -0.006 0.000 2.295 323 V HA -0.281 3.842 4.120 0.006 0.000 0.246 323 V C 2.534 178.652 176.094 0.041 0.000 1.049 323 V CA 1.944 64.231 62.300 -0.021 0.000 1.024 323 V CB -0.564 31.194 31.823 -0.108 0.000 0.648 323 V HN 0.395 nan 8.190 nan 0.000 0.447 324 M N 0.159 119.760 119.600 0.001 0.000 2.117 324 M HA -0.119 4.364 4.480 0.006 0.000 0.262 324 M C 2.278 178.710 176.300 0.221 0.000 1.065 324 M CA 1.714 57.036 55.300 0.037 0.000 1.114 324 M CB -1.323 31.142 32.600 -0.225 0.000 1.361 324 M HN 0.409 nan 8.290 nan 0.000 0.408 325 R N 1.868 122.513 120.500 0.241 0.000 2.276 325 R HA -0.083 4.261 4.340 0.006 0.000 0.203 325 R C 1.482 177.895 176.300 0.189 0.000 1.017 325 R CA 1.180 57.441 56.100 0.269 0.000 1.010 325 R CB -0.325 30.126 30.300 0.252 0.000 0.900 325 R HN 0.552 nan 8.270 nan 0.000 0.469 326 K N -1.303 119.195 120.400 0.165 0.000 2.361 326 K HA 0.042 4.365 4.320 0.006 0.000 0.194 326 K C 1.477 178.183 176.600 0.178 0.000 1.032 326 K CA -0.031 56.338 56.287 0.136 0.000 1.048 326 K CB -0.200 32.361 32.500 0.102 0.000 0.842 326 K HN 0.061 nan 8.250 nan 0.000 0.526 327 F N 1.795 121.765 119.950 0.033 0.000 2.317 327 F HA 0.327 4.857 4.527 0.005 0.000 0.293 327 F C 0.300 176.121 175.800 0.036 0.000 1.085 327 F CA 0.098 58.102 58.000 0.007 0.000 1.390 327 F CB 0.485 39.471 39.000 -0.024 0.000 1.077 327 F HN -0.114 nan 8.300 nan 0.000 0.517 328 L N 2.018 123.202 121.223 -0.065 0.000 2.475 328 L HA 0.335 4.678 4.340 0.006 0.000 0.253 328 L C -2.603 174.368 176.870 0.168 0.000 1.483 328 L CA -1.884 52.916 54.840 -0.067 0.000 0.869 328 L CB 0.977 43.022 42.059 -0.022 0.000 1.086 328 L HN -0.204 nan 8.230 nan 0.000 0.514 329 P HA -0.044 nan 4.420 nan 0.000 0.260 329 P C 0.825 178.202 177.300 0.128 0.000 1.185 329 P CA 0.368 63.545 63.100 0.129 0.000 0.763 329 P CB 1.220 32.967 31.700 0.078 0.000 0.776 330 A N 5.536 128.440 122.820 0.141 0.000 1.883 330 A HA -0.222 4.102 4.320 0.006 0.000 0.217 330 A C 2.176 179.787 177.584 0.044 0.000 1.186 330 A CA 2.233 54.322 52.037 0.088 0.000 0.624 330 A CB -1.534 17.494 19.000 0.047 0.000 0.822 330 A HN 0.508 nan 8.150 nan 0.000 0.444 331 A N -0.279 122.567 122.820 0.043 0.000 1.940 331 A HA -0.235 4.088 4.320 0.006 0.000 0.219 331 A C 1.828 179.423 177.584 0.018 0.000 1.176 331 A CA 1.915 53.968 52.037 0.027 0.000 0.631 331 A CB -0.628 18.394 19.000 0.036 0.000 0.814 331 A HN 0.546 nan 8.150 nan 0.000 0.446 332 D N -0.058 120.359 120.400 0.028 0.000 2.097 332 D HA -0.086 4.558 4.640 0.006 0.000 0.195 332 D C 2.306 178.612 176.300 0.010 0.000 0.989 332 D CA 1.508 55.517 54.000 0.016 0.000 0.827 332 D CB -0.329 40.483 40.800 0.019 0.000 0.966 332 D HN 0.432 nan 8.370 nan 0.000 0.456 333 A N 1.007 123.843 122.820 0.026 0.000 1.908 333 A HA -0.145 4.179 4.320 0.006 0.000 0.218 333 A C 2.441 180.013 177.584 -0.020 0.000 1.181 333 A CA 1.004 53.054 52.037 0.022 0.000 0.627 333 A CB -0.707 18.321 19.000 0.047 0.000 0.818 333 A HN 0.192 nan 8.150 nan 0.000 0.445 334 L N -0.894 120.310 121.223 -0.031 0.000 2.044 334 L HA -0.115 4.228 4.340 0.006 0.000 0.205 334 L C 2.555 179.398 176.870 -0.045 0.000 1.075 334 L CA 0.942 55.752 54.840 -0.051 0.000 0.747 334 L CB -0.703 41.329 42.059 -0.046 0.000 0.903 334 L HN 0.331 nan 8.230 nan 0.000 0.435 335 L N -0.035 121.166 121.223 -0.036 0.000 2.079 335 L HA -0.230 4.113 4.340 0.006 0.000 0.210 335 L C 2.654 179.476 176.870 -0.081 0.000 1.081 335 L CA 1.287 56.095 54.840 -0.053 0.000 0.752 335 L CB -0.499 41.535 42.059 -0.042 0.000 0.896 335 L HN 0.390 nan 8.230 nan 0.000 0.433 336 E N 0.527 120.693 120.200 -0.057 0.000 2.038 336 E HA -0.274 4.080 4.350 0.006 0.000 0.195 336 E C 2.347 178.926 176.600 -0.034 0.000 1.000 336 E CA 1.609 57.976 56.400 -0.055 0.000 0.803 336 E CB -0.067 29.626 29.700 -0.012 0.000 0.750 336 E HN 0.399 nan 8.360 nan 0.000 0.448 337 M N 0.263 119.865 119.600 0.002 0.000 2.086 337 M HA -0.167 4.316 4.480 0.006 0.000 0.261 337 M C 2.458 178.776 176.300 0.029 0.000 1.067 337 M CA 1.359 56.699 55.300 0.068 0.000 1.116 337 M CB -0.378 32.201 32.600 -0.034 0.000 1.348 337 M HN 0.231 nan 8.290 nan 0.000 0.407 338 I N -0.336 120.210 120.570 -0.040 0.000 2.127 338 I HA -0.284 3.890 4.170 0.006 0.000 0.241 338 I C 2.357 178.406 176.117 -0.114 0.000 1.075 338 I CA 1.310 62.575 61.300 -0.058 0.000 1.334 338 I CB -0.511 37.453 38.000 -0.059 0.000 1.040 338 I HN 0.087 nan 8.210 nan 0.000 0.405 339 V N 0.864 120.649 119.914 -0.214 0.000 2.358 339 V HA -0.217 3.906 4.120 0.006 0.000 0.246 339 V C 2.235 178.091 176.094 -0.397 0.000 1.047 339 V CA 1.554 63.592 62.300 -0.435 0.000 1.035 339 V CB -0.363 31.036 31.823 -0.706 0.000 0.658 339 V HN 0.370 nan 8.190 nan 0.000 0.452 340 L N -1.319 119.726 121.223 -0.297 0.000 2.270 340 L HA 0.021 4.364 4.340 0.006 0.000 0.210 340 L C 2.264 178.851 176.870 -0.471 0.000 1.104 340 L CA 1.027 55.642 54.840 -0.376 0.000 0.804 340 L CB -0.381 41.448 42.059 -0.385 0.000 0.937 340 L HN 0.446 nan 8.230 nan 0.000 0.450 341 H N -1.512 117.503 119.070 -0.092 0.000 3.091 341 H HA 0.305 4.865 4.556 0.007 0.000 0.249 341 H C 0.680 175.983 175.328 -0.041 0.000 0.985 341 H CA -0.274 55.739 56.048 -0.057 0.000 1.177 341 H CB 0.946 30.672 29.762 -0.060 0.000 1.456 341 H HN 0.103 nan 8.280 nan 0.000 0.467 342 L N 5.021 126.274 121.223 0.050 0.000 2.380 342 L HA 0.158 4.502 4.340 0.006 0.000 0.273 342 L C -1.981 174.905 176.870 0.026 0.000 1.138 342 L CA -1.664 53.195 54.840 0.031 0.000 0.832 342 L CB 0.679 42.743 42.059 0.008 0.000 1.124 342 L HN -0.091 nan 8.230 nan 0.000 0.454 343 P HA 0.051 nan 4.420 nan 0.000 0.271 343 P C -0.571 176.750 177.300 0.035 0.000 1.218 343 P CA -0.391 62.745 63.100 0.061 0.000 0.780 343 P CB 1.028 32.797 31.700 0.114 0.000 0.901 344 S N 2.023 117.741 115.700 0.029 0.000 2.652 344 S HA 0.322 4.796 4.470 0.006 0.000 0.270 344 S C -1.740 172.850 174.600 -0.018 0.000 1.243 344 S CA -1.230 56.980 58.200 0.017 0.000 0.999 344 S CB 0.138 63.357 63.200 0.031 0.000 0.973 344 S HN 0.219 nan 8.310 nan 0.000 0.544 345 P HA -0.116 nan 4.420 nan 0.000 0.216 345 P C 1.602 178.860 177.300 -0.069 0.000 1.153 345 P CA 0.850 63.910 63.100 -0.065 0.000 0.858 345 P CB -0.242 31.407 31.700 -0.085 0.000 0.789 346 V N -0.543 119.340 119.914 -0.051 0.000 2.255 346 V HA -0.283 3.840 4.120 0.006 0.000 0.247 346 V C 2.343 178.395 176.094 -0.071 0.000 1.051 346 V CA 2.720 64.991 62.300 -0.049 0.000 1.018 346 V CB -1.857 29.949 31.823 -0.028 0.000 0.641 346 V HN 0.201 nan 8.190 nan 0.000 0.445 347 T N 0.073 114.591 114.554 -0.059 0.000 2.737 347 T HA -0.075 4.278 4.350 0.006 0.000 0.265 347 T C 2.040 176.593 174.700 -0.245 0.000 1.038 347 T CA 1.561 63.627 62.100 -0.056 0.000 1.144 347 T CB -0.388 68.498 68.868 0.030 0.000 0.866 347 T HN 0.565 nan 8.240 nan 0.000 0.434 348 A N 1.443 124.080 122.820 -0.304 0.000 1.873 348 A HA -0.098 4.225 4.320 0.006 0.000 0.215 348 A C 2.231 179.320 177.584 -0.825 0.000 1.186 348 A CA 1.182 52.808 52.037 -0.685 0.000 0.616 348 A CB -0.619 18.254 19.000 -0.213 0.000 0.823 348 A HN 0.512 nan 8.150 nan 0.000 0.442 349 Q N -0.514 119.078 119.800 -0.346 0.000 2.364 349 Q HA -0.084 4.260 4.340 0.006 0.000 0.209 349 Q C 2.214 178.084 176.000 -0.217 0.000 0.977 349 Q CA 0.901 56.593 55.803 -0.184 0.000 0.885 349 Q CB -0.377 28.352 28.738 -0.015 0.000 0.941 349 Q HN 0.703 nan 8.270 nan 0.000 0.464 350 A N 0.864 123.512 122.820 -0.287 0.000 1.972 350 A HA -0.180 4.143 4.320 0.006 0.000 0.219 350 A C 1.457 178.999 177.584 -0.070 0.000 1.169 350 A CA 1.338 53.288 52.037 -0.145 0.000 0.635 350 A CB -0.437 18.516 19.000 -0.078 0.000 0.810 350 A HN 0.620 nan 8.150 nan 0.000 0.446 351 Y N -3.701 116.605 120.300 0.009 0.000 2.500 351 Y HA 0.501 5.055 4.550 0.006 0.000 0.246 351 Y C 1.579 177.479 175.900 -0.000 0.000 1.146 351 Y CA -0.483 57.619 58.100 0.002 0.000 1.230 351 Y CB -0.008 38.454 38.460 0.003 0.000 1.214 351 Y HN 0.082 nan 8.280 nan 0.000 0.526 352 R N 0.328 120.809 120.500 -0.032 0.000 2.282 352 R HA 0.354 4.698 4.340 0.006 0.000 0.195 352 R C 2.119 178.400 176.300 -0.032 0.000 0.909 352 R CA 0.630 56.742 56.100 0.020 0.000 1.039 352 R CB 0.190 30.474 30.300 -0.025 0.000 1.015 352 R HN 0.380 nan 8.270 nan 0.000 0.513 353 A N 2.102 124.892 122.820 -0.050 0.000 1.841 353 A HA -0.233 4.090 4.320 0.006 0.000 0.216 353 A C 1.859 179.428 177.584 -0.025 0.000 1.199 353 A CA 1.491 53.489 52.037 -0.066 0.000 0.621 353 A CB -0.457 18.503 19.000 -0.066 0.000 0.835 353 A HN 0.264 nan 8.150 nan 0.000 0.445 354 E N -0.986 119.216 120.200 0.002 0.000 2.086 354 E HA -0.319 4.034 4.350 0.006 0.000 0.200 354 E C 2.314 178.936 176.600 0.037 0.000 1.012 354 E CA 1.724 58.144 56.400 0.032 0.000 0.812 354 E CB -0.217 29.499 29.700 0.027 0.000 0.743 354 E HN 0.761 nan 8.360 nan 0.000 0.453 355 Q N 0.149 119.958 119.800 0.016 0.000 2.124 355 Q HA -0.124 4.220 4.340 0.006 0.000 0.202 355 Q C 1.955 177.941 176.000 -0.023 0.000 0.977 355 Q CA 0.916 56.720 55.803 0.002 0.000 0.850 355 Q CB 0.104 28.846 28.738 0.007 0.000 0.901 355 Q HN 0.292 nan 8.270 nan 0.000 0.429 356 L N -0.475 120.713 121.223 -0.057 0.000 2.592 356 L HA 0.087 4.430 4.340 0.006 0.000 0.227 356 L C -0.182 176.669 176.870 -0.032 0.000 1.127 356 L CA -0.193 54.570 54.840 -0.129 0.000 0.884 356 L CB 0.285 42.138 42.059 -0.345 0.000 1.065 356 L HN 0.157 nan 8.230 nan 0.000 0.457 357 Y N 0.909 121.145 120.300 -0.106 0.000 2.328 357 Y HA 0.228 4.782 4.550 0.005 0.000 0.333 357 Y C 0.714 176.583 175.900 -0.051 0.000 0.958 357 Y CA -0.929 57.131 58.100 -0.067 0.000 1.167 357 Y CB 0.919 39.339 38.460 -0.066 0.000 1.151 357 Y HN -0.040 nan 8.280 nan 0.000 0.470 358 E N 4.828 124.774 120.200 -0.425 0.000 2.705 358 E HA 0.226 4.579 4.350 0.006 0.000 0.272 358 E C 0.141 176.428 176.600 -0.522 0.000 1.528 358 E CA 0.125 56.331 56.400 -0.324 0.000 1.750 358 E CB -0.110 29.481 29.700 -0.182 0.000 1.439 358 E HN 0.885 nan 8.360 nan 0.000 0.449 359 G N 1.193 109.660 108.800 -0.555 0.000 2.706 359 G HA2 0.359 4.322 3.960 0.006 0.000 0.307 359 G HA3 0.359 4.322 3.960 0.006 0.000 0.307 359 G C -2.831 172.056 174.900 -0.023 0.000 1.307 359 G CA -0.932 43.825 45.100 -0.572 0.000 0.790 359 G HN -0.077 nan 8.290 nan 0.000 0.503 360 P HA 0.232 nan 4.420 nan 0.000 0.265 360 P C 0.652 178.001 177.300 0.082 0.000 1.193 360 P CA 0.609 63.740 63.100 0.051 0.000 0.765 360 P CB 1.451 33.186 31.700 0.058 0.000 0.823 361 A N 3.205 126.045 122.820 0.034 0.000 2.016 361 A HA -0.133 4.190 4.320 0.006 0.000 0.217 361 A C 1.175 178.739 177.584 -0.032 0.000 1.162 361 A CA 1.450 53.490 52.037 0.005 0.000 0.662 361 A CB -0.819 18.186 19.000 0.007 0.000 0.812 361 A HN 0.614 nan 8.150 nan 0.000 0.450 362 D N -0.729 119.660 120.400 -0.018 0.000 2.358 362 D HA 0.182 4.826 4.640 0.006 0.000 0.224 362 D C 0.079 176.361 176.300 -0.030 0.000 1.123 362 D CA -0.310 53.675 54.000 -0.025 0.000 0.833 362 D CB -0.215 40.580 40.800 -0.008 0.000 0.946 362 D HN 0.262 nan 8.370 nan 0.000 0.505 363 D N -0.031 120.341 120.400 -0.046 0.000 2.378 363 D HA 0.274 4.918 4.640 0.006 0.000 0.238 363 D C 1.452 177.700 176.300 -0.086 0.000 1.180 363 D CA 0.165 54.141 54.000 -0.041 0.000 0.895 363 D CB 1.158 41.938 40.800 -0.035 0.000 1.192 363 D HN 0.055 nan 8.370 nan 0.000 0.438 364 A N 2.952 125.746 122.820 -0.045 0.000 1.972 364 A HA -0.208 4.115 4.320 0.006 0.000 0.219 364 A C 1.785 179.318 177.584 -0.086 0.000 1.169 364 A CA 1.584 53.593 52.037 -0.047 0.000 0.635 364 A CB -0.597 18.395 19.000 -0.013 0.000 0.810 364 A HN 0.722 nan 8.150 nan 0.000 0.446 365 N N -0.985 117.639 118.700 -0.126 0.000 2.250 365 N HA -0.091 4.653 4.740 0.006 0.000 0.181 365 N C 1.584 176.891 175.510 -0.338 0.000 1.017 365 N CA 1.201 54.148 53.050 -0.173 0.000 0.866 365 N CB -0.627 37.803 38.487 -0.095 0.000 0.985 365 N HN 0.530 nan 8.380 nan 0.000 0.429 366 C N 0.474 119.433 119.300 -0.569 0.000 2.440 366 C HA 0.126 4.590 4.460 0.006 0.000 0.278 366 C C 2.312 177.156 174.990 -0.243 0.000 1.295 366 C CA 0.345 59.031 59.018 -0.552 0.000 1.738 366 C CB -1.137 26.254 27.740 -0.581 0.000 1.987 366 C HN 0.402 nan 8.230 nan 0.000 0.492 367 I N 1.188 121.654 120.570 -0.173 0.000 2.394 367 I HA -0.103 4.070 4.170 0.006 0.000 0.251 367 I C 2.775 178.847 176.117 -0.076 0.000 1.136 367 I CA 1.385 62.627 61.300 -0.097 0.000 1.425 367 I CB -0.471 37.487 38.000 -0.069 0.000 1.079 367 I HN 0.372 nan 8.210 nan 0.000 0.425 368 A N 0.852 123.624 122.820 -0.081 0.000 2.015 368 A HA -0.099 4.224 4.320 0.006 0.000 0.219 368 A C 2.229 179.796 177.584 -0.028 0.000 1.163 368 A CA 1.233 53.242 52.037 -0.046 0.000 0.646 368 A CB -0.590 18.388 19.000 -0.037 0.000 0.806 368 A HN 0.406 nan 8.150 nan 0.000 0.448 369 I N -0.904 119.638 120.570 -0.047 0.000 2.480 369 I HA -0.164 4.010 4.170 0.006 0.000 0.251 369 I C 2.251 178.363 176.117 -0.009 0.000 1.124 369 I CA 0.914 62.215 61.300 0.002 0.000 1.444 369 I CB -0.229 37.754 38.000 -0.028 0.000 1.098 369 I HN 0.244 nan 8.210 nan 0.000 0.428 370 K N 0.939 121.312 120.400 -0.045 0.000 2.097 370 K HA -0.105 4.218 4.320 0.006 0.000 0.206 370 K C 1.347 177.924 176.600 -0.037 0.000 1.049 370 K CA 1.202 57.461 56.287 -0.046 0.000 0.933 370 K CB -0.192 32.281 32.500 -0.045 0.000 0.717 370 K HN 0.307 nan 8.250 nan 0.000 0.442 371 N N 0.351 119.033 118.700 -0.030 0.000 2.398 371 N HA -0.035 4.708 4.740 0.006 0.000 0.188 371 N C 0.170 175.667 175.510 -0.021 0.000 1.122 371 N CA 0.257 53.292 53.050 -0.025 0.000 0.866 371 N CB -0.064 38.409 38.487 -0.023 0.000 0.970 371 N HN 0.152 nan 8.380 nan 0.000 0.462 372 C N 2.235 121.527 119.300 -0.012 0.000 4.056 372 C HA -0.205 4.258 4.460 0.006 0.000 0.302 372 C C -0.111 174.871 174.990 -0.013 0.000 1.356 372 C CA -0.552 58.462 59.018 -0.007 0.000 2.074 372 C CB -2.353 25.373 27.740 -0.024 0.000 1.328 372 C HN 0.329 nan 8.230 nan 0.000 0.684 373 D N 1.791 122.186 120.400 -0.009 0.000 2.338 373 D HA 0.255 4.898 4.640 0.006 0.000 0.255 373 D C -0.329 175.965 176.300 -0.010 0.000 1.237 373 D CA -1.876 52.117 54.000 -0.012 0.000 0.883 373 D CB 1.063 41.854 40.800 -0.014 0.000 1.087 373 D HN 0.411 nan 8.370 nan 0.000 0.485 374 P HA -0.079 nan 4.420 nan 0.000 0.229 374 P C 0.714 178.005 177.300 -0.014 0.000 1.160 374 P CA 0.551 63.640 63.100 -0.017 0.000 0.777 374 P CB 0.584 32.270 31.700 -0.023 0.000 0.814 375 K N -0.439 119.954 120.400 -0.012 0.000 2.284 375 K HA 0.209 4.533 4.320 0.006 0.000 0.198 375 K C 1.542 178.137 176.600 -0.008 0.000 1.048 375 K CA 0.179 56.459 56.287 -0.011 0.000 0.987 375 K CB -0.352 32.141 32.500 -0.012 0.000 0.800 375 K HN 0.066 nan 8.250 nan 0.000 0.486 376 A N 2.006 124.823 122.820 -0.006 0.000 2.281 376 A HA 0.039 4.362 4.320 0.006 0.000 0.271 376 A C -0.030 177.555 177.584 0.002 0.000 1.196 376 A CA -0.188 51.847 52.037 -0.004 0.000 0.807 376 A CB -0.064 18.932 19.000 -0.007 0.000 1.138 376 A HN 0.115 nan 8.150 nan 0.000 0.506 377 D N -0.234 120.169 120.400 0.006 0.000 2.455 377 D HA 0.224 4.868 4.640 0.006 0.000 0.241 377 D C 0.053 176.367 176.300 0.023 0.000 1.138 377 D CA 0.121 54.129 54.000 0.013 0.000 0.877 377 D CB 0.491 41.302 40.800 0.018 0.000 1.187 377 D HN 0.357 nan 8.370 nan 0.000 0.451 378 L N 3.368 124.604 121.223 0.021 0.000 2.540 378 L HA 0.014 4.357 4.340 0.006 0.000 0.276 378 L C -0.309 176.597 176.870 0.059 0.000 1.212 378 L CA 0.706 55.564 54.840 0.031 0.000 0.893 378 L CB 0.078 42.147 42.059 0.016 0.000 1.138 378 L HN 0.256 nan 8.230 nan 0.000 0.491 379 M N 7.796 127.451 119.600 0.091 0.000 1.956 379 M HA 0.303 4.787 4.480 0.006 0.000 0.256 379 M C -1.123 175.303 176.300 0.211 0.000 0.869 379 M CA -0.161 55.229 55.300 0.149 0.000 0.886 379 M CB 0.898 33.599 32.600 0.168 0.000 1.739 379 M HN 0.559 nan 8.290 nan 0.000 0.381 380 L N 2.261 123.582 121.223 0.163 0.000 2.307 380 L HA 0.525 4.868 4.340 0.006 0.000 0.284 380 L C -1.462 175.544 176.870 0.227 0.000 1.023 380 L CA -0.708 54.234 54.840 0.170 0.000 0.810 380 L CB 1.725 43.822 42.059 0.062 0.000 1.231 380 L HN 0.557 nan 8.230 nan 0.000 0.423 381 Y N 4.519 124.931 120.300 0.187 0.000 2.331 381 Y HA 0.474 5.027 4.550 0.006 0.000 0.338 381 Y C -0.715 175.235 175.900 0.082 0.000 0.976 381 Y CA -0.576 57.632 58.100 0.179 0.000 1.137 381 Y CB 1.470 40.142 38.460 0.354 0.000 1.172 381 Y HN 0.261 nan 8.280 nan 0.000 0.478 382 V N 6.849 126.578 119.914 -0.308 0.000 2.348 382 V HA 0.093 4.217 4.120 0.006 0.000 0.270 382 V C 0.616 176.570 176.094 -0.233 0.000 1.037 382 V CA 0.466 62.658 62.300 -0.180 0.000 0.872 382 V CB 0.758 32.504 31.823 -0.127 0.000 1.002 382 V HN 0.992 nan 8.190 nan 0.000 0.464 383 S N 3.935 119.690 115.700 0.093 0.000 2.458 383 S HA 0.155 4.628 4.470 0.006 0.000 0.223 383 S C 0.478 175.164 174.600 0.142 0.000 1.019 383 S CA 0.013 58.369 58.200 0.260 0.000 0.937 383 S CB 0.018 63.503 63.200 0.475 0.000 0.788 383 S HN 0.844 nan 8.310 nan 0.000 0.511 384 K N -0.572 119.913 120.400 0.141 0.000 2.642 384 K HA 0.504 4.827 4.320 0.006 0.000 0.290 384 K C -1.557 175.073 176.600 0.050 0.000 1.006 384 K CA -1.002 55.301 56.287 0.027 0.000 0.869 384 K CB 0.680 33.208 32.500 0.046 0.000 1.499 384 K HN -0.110 nan 8.250 nan 0.000 0.403 385 M N 2.027 121.591 119.600 -0.061 0.000 2.238 385 M HA 0.365 4.848 4.480 0.006 0.000 0.350 385 M C -0.822 175.516 176.300 0.063 0.000 1.138 385 M CA -0.970 54.320 55.300 -0.016 0.000 1.040 385 M CB 1.242 33.710 32.600 -0.220 0.000 1.639 385 M HN 0.535 nan 8.290 nan 0.000 0.451 386 V N 5.275 125.318 119.914 0.215 0.000 2.417 386 V HA 0.398 4.521 4.120 0.006 0.000 0.291 386 V C -2.201 174.042 176.094 0.248 0.000 1.024 386 V CA -1.829 60.583 62.300 0.187 0.000 0.861 386 V CB 1.745 33.627 31.823 0.098 0.000 0.985 386 V HN 0.628 nan 8.190 nan 0.000 0.436 387 P HA 0.221 nan 4.420 nan 0.000 0.268 387 P C -0.123 177.009 177.300 -0.279 0.000 1.204 387 P CA 0.314 63.348 63.100 -0.110 0.000 0.768 387 P CB 0.464 32.167 31.700 0.007 0.000 0.842 388 T N -2.163 112.108 114.554 -0.471 0.000 2.887 388 T HA 0.400 4.754 4.350 0.006 0.000 0.292 388 T C 0.997 175.497 174.700 -0.333 0.000 1.087 388 T CA -0.318 61.502 62.100 -0.466 0.000 1.009 388 T CB 1.186 69.534 68.868 -0.866 0.000 1.203 388 T HN 0.221 nan 8.240 nan 0.000 0.518 389 S N -0.860 114.701 115.700 -0.233 0.000 2.527 389 S HA 0.047 4.520 4.470 0.006 0.000 0.222 389 S C 0.661 175.183 174.600 -0.129 0.000 0.985 389 S CA 0.299 58.410 58.200 -0.148 0.000 0.921 389 S CB -0.591 62.558 63.200 -0.084 0.000 0.772 389 S HN 0.808 nan 8.310 nan 0.000 0.529 390 D N 2.850 123.157 120.400 -0.155 0.000 2.489 390 D HA 0.203 4.846 4.640 0.006 0.000 0.237 390 D C 0.446 176.672 176.300 -0.123 0.000 1.212 390 D CA 0.270 54.216 54.000 -0.090 0.000 1.058 390 D CB -0.743 40.049 40.800 -0.013 0.000 1.098 390 D HN 0.350 nan 8.370 nan 0.000 0.509 391 K N 1.009 121.346 120.400 -0.105 0.000 1.898 391 K HA -0.206 4.118 4.320 0.006 0.000 0.256 391 K C 1.030 177.518 176.600 -0.186 0.000 1.652 391 K CA 1.286 57.505 56.287 -0.113 0.000 0.589 391 K CB -1.418 31.033 32.500 -0.082 0.000 0.785 391 K HN 0.422 nan 8.250 nan 0.000 0.824 392 G N 1.400 110.084 108.800 -0.194 0.000 3.284 392 G HA2 0.036 3.999 3.960 0.006 0.000 0.236 392 G HA3 0.036 3.999 3.960 0.006 0.000 0.236 392 G C 0.111 174.741 174.900 -0.451 0.000 1.158 392 G CA -0.173 44.752 45.100 -0.293 0.000 0.774 392 G HN 0.098 nan 8.290 nan 0.000 0.545 393 R N -0.066 120.224 120.500 -0.350 0.000 2.641 393 R HA 0.329 4.672 4.340 0.006 0.000 0.269 393 R C -0.990 175.002 176.300 -0.512 0.000 1.074 393 R CA -0.046 55.888 56.100 -0.278 0.000 1.133 393 R CB 0.408 30.659 30.300 -0.083 0.000 1.029 393 R HN 0.106 nan 8.270 nan 0.000 0.488 394 F N 0.895 120.807 119.950 -0.064 0.000 2.508 394 F HA 0.317 4.847 4.527 0.006 0.000 0.325 394 F C -0.091 175.789 175.800 0.133 0.000 1.090 394 F CA -0.856 57.106 58.000 -0.062 0.000 0.945 394 F CB 1.020 39.996 39.000 -0.039 0.000 1.156 394 F HN 0.207 nan 8.300 nan 0.000 0.463 395 Y N 1.365 121.774 120.300 0.182 0.000 2.323 395 Y HA 0.564 5.117 4.550 0.006 0.000 0.331 395 Y C 0.346 176.336 175.900 0.150 0.000 1.092 395 Y CA -2.278 55.901 58.100 0.132 0.000 1.150 395 Y CB 0.918 39.441 38.460 0.104 0.000 1.200 395 Y HN 0.625 nan 8.280 nan 0.000 0.472 396 A N 5.005 127.987 122.820 0.270 0.000 2.396 396 A HA 0.345 4.669 4.320 0.006 0.000 0.279 396 A C -0.864 176.841 177.584 0.202 0.000 1.165 396 A CA -0.259 51.886 52.037 0.179 0.000 0.824 396 A CB -0.786 18.272 19.000 0.096 0.000 1.100 396 A HN 0.590 nan 8.150 nan 0.000 0.516 397 F N 3.435 123.431 119.950 0.078 0.000 2.404 397 F HA 0.666 5.196 4.527 0.005 0.000 0.339 397 F C 0.562 176.409 175.800 0.077 0.000 1.105 397 F CA 0.766 58.812 58.000 0.076 0.000 1.087 397 F CB 1.246 40.292 39.000 0.077 0.000 1.143 397 F HN 0.801 nan 8.300 nan 0.000 0.491 398 G N 5.032 113.375 108.800 -0.761 0.000 2.510 398 G HA2 0.444 4.407 3.960 0.006 0.000 0.277 398 G HA3 0.444 4.407 3.960 0.006 0.000 0.277 398 G C -1.968 172.652 174.900 -0.466 0.000 1.223 398 G CA -1.125 43.695 45.100 -0.467 0.000 0.887 398 G HN 0.794 nan 8.290 nan 0.000 0.485 399 R N -0.572 119.822 120.500 -0.177 0.000 2.584 399 R HA 0.569 4.913 4.340 0.006 0.000 0.276 399 R C -1.522 174.647 176.300 -0.219 0.000 1.046 399 R CA -0.553 55.381 56.100 -0.277 0.000 0.906 399 R CB 2.207 32.252 30.300 -0.425 0.000 1.215 399 R HN 0.469 nan 8.270 nan 0.000 0.449 400 V N 5.571 125.337 119.914 -0.248 0.000 2.408 400 V HA 0.246 4.370 4.120 0.006 0.000 0.267 400 V C 0.311 176.261 176.094 -0.240 0.000 1.047 400 V CA 0.012 62.230 62.300 -0.136 0.000 0.937 400 V CB 0.746 32.513 31.823 -0.093 0.000 0.999 400 V HN 0.751 nan 8.190 nan 0.000 0.472 401 F N 2.463 122.415 119.950 0.004 0.000 2.656 401 F HA 0.580 5.110 4.527 0.005 0.000 0.291 401 F C 1.168 176.958 175.800 -0.017 0.000 1.122 401 F CA 0.750 58.745 58.000 -0.009 0.000 1.427 401 F CB 0.415 39.420 39.000 0.009 0.000 1.125 401 F HN 0.600 nan 8.300 nan 0.000 0.583 402 A N -0.788 122.119 122.820 0.145 0.000 2.574 402 A HA 0.636 4.960 4.320 0.006 0.000 0.297 402 A C 0.189 177.797 177.584 0.040 0.000 1.062 402 A CA -0.266 51.813 52.037 0.071 0.000 0.686 402 A CB 0.419 19.459 19.000 0.067 0.000 1.285 402 A HN 0.652 nan 8.150 nan 0.000 0.403 403 G N 0.112 108.921 108.800 0.015 0.000 2.645 403 G HA2 0.377 4.340 3.960 0.006 0.000 0.239 403 G HA3 0.377 4.340 3.960 0.006 0.000 0.239 403 G C 0.157 175.053 174.900 -0.007 0.000 1.331 403 G CA 0.537 45.639 45.100 0.004 0.000 0.890 403 G HN 2.790 nan 8.290 nan 0.000 0.572 404 T N -3.529 111.019 114.554 -0.010 0.000 2.881 404 T HA 0.647 5.001 4.350 0.006 0.000 0.290 404 T C -0.299 174.390 174.700 -0.018 0.000 1.000 404 T CA 0.112 62.200 62.100 -0.019 0.000 0.978 404 T CB 1.856 70.711 68.868 -0.022 0.000 0.997 404 T HN 1.944 nan 8.240 nan 0.000 0.443 405 V N 3.209 123.109 119.914 -0.023 0.000 2.607 405 V HA 0.639 4.762 4.120 0.006 0.000 0.289 405 V C -0.549 175.530 176.094 -0.026 0.000 1.053 405 V CA -0.206 62.080 62.300 -0.023 0.000 0.996 405 V CB 0.954 32.760 31.823 -0.027 0.000 0.995 405 V HN 0.998 nan 8.190 nan 0.000 0.476 406 K N 3.816 124.202 120.400 -0.024 0.000 2.469 406 K HA 0.486 4.810 4.320 0.006 0.000 0.254 406 K C -0.724 175.861 176.600 -0.024 0.000 0.939 406 K CA -0.615 55.658 56.287 -0.024 0.000 0.812 406 K CB 2.080 34.568 32.500 -0.020 0.000 1.301 406 K HN 0.571 nan 8.250 nan 0.000 0.433 407 S N 0.781 116.466 115.700 -0.025 0.000 2.516 407 S HA 0.263 4.737 4.470 0.006 0.000 0.282 407 S C 1.182 175.771 174.600 -0.019 0.000 1.286 407 S CA 0.945 59.130 58.200 -0.025 0.000 1.066 407 S CB 0.523 63.708 63.200 -0.026 0.000 0.884 407 S HN 0.969 nan 8.310 nan 0.000 0.491 408 G N 2.523 111.313 108.800 -0.017 0.000 2.299 408 G HA2 -0.287 3.677 3.960 0.006 0.000 0.237 408 G HA3 -0.287 3.677 3.960 0.006 0.000 0.237 408 G C 0.174 175.065 174.900 -0.015 0.000 1.027 408 G CA 0.185 45.277 45.100 -0.013 0.000 0.619 408 G HN 0.736 nan 8.290 nan 0.000 0.513 409 Q N 1.783 121.573 119.800 -0.018 0.000 2.269 409 Q HA 0.250 4.593 4.340 0.006 0.000 0.300 409 Q C 0.073 176.059 176.000 -0.023 0.000 1.070 409 Q CA 0.406 56.197 55.803 -0.019 0.000 0.957 409 Q CB 0.194 28.921 28.738 -0.019 0.000 1.131 409 Q HN 0.488 nan 8.270 nan 0.000 0.377 410 K N 3.514 123.899 120.400 -0.025 0.000 2.297 410 K HA 0.240 4.564 4.320 0.006 0.000 0.286 410 K C -0.277 176.298 176.600 -0.040 0.000 1.053 410 K CA -0.381 55.885 56.287 -0.035 0.000 0.940 410 K CB 0.938 33.418 32.500 -0.033 0.000 1.019 410 K HN 0.523 nan 8.250 nan 0.000 0.475 411 V N 0.141 120.022 119.914 -0.054 0.000 3.046 411 V HA 0.530 4.654 4.120 0.006 0.000 0.316 411 V C -0.547 175.499 176.094 -0.079 0.000 1.104 411 V CA -1.367 60.900 62.300 -0.055 0.000 1.006 411 V CB 1.833 33.628 31.823 -0.046 0.000 1.058 411 V HN 0.667 nan 8.190 nan 0.000 0.440 412 R N 2.172 122.622 120.500 -0.082 0.000 2.204 412 R HA 0.567 4.911 4.340 0.006 0.000 0.341 412 R C -0.713 175.503 176.300 -0.140 0.000 1.035 412 R CA -0.327 55.700 56.100 -0.122 0.000 0.887 412 R CB 0.848 31.066 30.300 -0.136 0.000 1.114 412 R HN 0.699 nan 8.270 nan 0.000 0.473 413 I N 4.099 124.599 120.570 -0.116 0.000 2.294 413 I HA 0.030 4.203 4.170 0.006 0.000 0.295 413 I C 0.246 176.306 176.117 -0.095 0.000 1.098 413 I CA 0.059 61.324 61.300 -0.060 0.000 1.277 413 I CB 0.540 38.551 38.000 0.019 0.000 1.434 413 I HN 0.375 nan 8.210 nan 0.000 0.498 414 Q N 5.371 125.050 119.800 -0.202 0.000 2.360 414 Q HA 0.385 4.728 4.340 0.006 0.000 0.254 414 Q C 0.568 176.532 176.000 -0.060 0.000 0.975 414 Q CA -0.514 55.078 55.803 -0.352 0.000 0.912 414 Q CB 1.816 30.181 28.738 -0.622 0.000 1.212 414 Q HN 0.790 nan 8.270 nan 0.000 0.452 415 G N 2.875 111.722 108.800 0.078 0.000 2.653 415 G HA2 0.104 4.067 3.960 0.006 0.000 0.265 415 G HA3 0.104 4.067 3.960 0.006 0.000 0.265 415 G C -1.750 173.238 174.900 0.147 0.000 1.237 415 G CA -1.059 44.128 45.100 0.145 0.000 0.946 415 G HN 0.370 nan 8.290 nan 0.000 0.522 416 P HA -0.102 nan 4.420 nan 0.000 0.215 416 P C 1.349 178.729 177.300 0.134 0.000 1.157 416 P CA 1.036 64.211 63.100 0.125 0.000 0.868 416 P CB 0.188 31.964 31.700 0.127 0.000 0.788 417 N N -2.097 116.685 118.700 0.138 0.000 2.383 417 N HA -0.042 4.702 4.740 0.006 0.000 0.192 417 N C 0.256 175.828 175.510 0.104 0.000 1.141 417 N CA -0.021 53.094 53.050 0.109 0.000 0.851 417 N CB -0.313 38.233 38.487 0.099 0.000 0.976 417 N HN 0.277 nan 8.380 nan 0.000 0.465 418 Y N 1.239 121.551 120.300 0.020 0.000 2.411 418 Y HA 0.192 4.745 4.550 0.005 0.000 0.333 418 Y C -0.223 175.668 175.900 -0.015 0.000 1.186 418 Y CA 0.004 58.099 58.100 -0.008 0.000 1.381 418 Y CB 0.683 39.135 38.460 -0.014 0.000 1.273 418 Y HN -0.295 nan 8.280 nan 0.000 0.546 419 V N 7.463 126.802 119.914 -0.958 0.000 2.668 419 V HA 0.291 4.414 4.120 0.006 0.000 0.304 419 V C -2.449 173.065 176.094 -0.967 0.000 1.071 419 V CA -2.107 59.773 62.300 -0.700 0.000 0.894 419 V CB 1.923 33.560 31.823 -0.309 0.000 1.008 419 V HN 0.712 nan 8.190 nan 0.000 0.425 420 P HA 0.279 nan 4.420 nan 0.000 0.257 420 P C 0.865 178.001 177.300 -0.273 0.000 1.189 420 P CA 1.546 64.423 63.100 -0.370 0.000 0.780 420 P CB 0.392 31.867 31.700 -0.375 0.000 0.772 421 G N 2.883 111.554 108.800 -0.215 0.000 3.736 421 G HA2 -0.153 3.810 3.960 0.006 0.000 0.196 421 G HA3 -0.153 3.810 3.960 0.006 0.000 0.196 421 G C -0.058 174.760 174.900 -0.137 0.000 1.811 421 G CA -0.547 44.468 45.100 -0.142 0.000 1.175 421 G HN 0.436 nan 8.290 nan 0.000 0.429 422 K N 1.030 121.312 120.400 -0.196 0.000 2.149 422 K HA 0.646 4.969 4.320 0.006 0.000 0.245 422 K C 0.842 177.361 176.600 -0.135 0.000 1.024 422 K CA 0.146 56.341 56.287 -0.154 0.000 0.899 422 K CB 0.612 33.015 32.500 -0.161 0.000 1.038 422 K HN 0.202 nan 8.250 nan 0.000 0.496 423 K N 1.097 121.454 120.400 -0.071 0.000 2.455 423 K HA 0.114 4.438 4.320 0.006 0.000 0.206 423 K C -0.846 175.728 176.600 -0.044 0.000 1.027 423 K CA -0.076 56.195 56.287 -0.028 0.000 1.113 423 K CB 0.527 33.003 32.500 -0.039 0.000 0.850 423 K HN 0.549 nan 8.250 nan 0.000 0.503 424 D N 1.922 122.292 120.400 -0.050 0.000 2.390 424 D HA -0.016 4.628 4.640 0.006 0.000 0.249 424 D C 0.283 176.599 176.300 0.026 0.000 1.144 424 D CA 0.556 54.537 54.000 -0.032 0.000 0.880 424 D CB 0.700 41.486 40.800 -0.023 0.000 1.182 424 D HN 0.068 nan 8.370 nan 0.000 0.451 425 D N 0.576 120.954 120.400 -0.036 0.000 2.746 425 D HA -0.193 4.451 4.640 0.006 0.000 0.236 425 D C -1.172 175.089 176.300 -0.065 0.000 1.129 425 D CA 0.352 54.362 54.000 0.017 0.000 0.691 425 D CB -0.831 40.065 40.800 0.160 0.000 1.077 425 D HN 0.251 nan 8.370 nan 0.000 0.432 426 L N 0.342 121.309 121.223 -0.426 0.000 2.386 426 L HA 0.751 5.094 4.340 0.006 0.000 0.271 426 L C -1.465 174.886 176.870 -0.865 0.000 0.993 426 L CA -0.615 53.977 54.840 -0.413 0.000 0.819 426 L CB 1.519 43.514 42.059 -0.106 0.000 1.294 426 L HN -0.057 nan 8.230 nan 0.000 0.414 427 F N 5.692 125.562 119.950 -0.133 0.000 2.671 427 F HA 0.470 5.001 4.527 0.006 0.000 0.332 427 F C -0.267 175.352 175.800 -0.303 0.000 1.189 427 F CA -0.507 57.350 58.000 -0.240 0.000 0.988 427 F CB 1.400 40.170 39.000 -0.385 0.000 1.258 427 F HN 0.213 nan 8.300 nan 0.000 0.471 428 I N 5.093 125.599 120.570 -0.106 0.000 2.241 428 I HA 0.246 4.419 4.170 0.006 0.000 0.294 428 I C 0.033 176.062 176.117 -0.146 0.000 1.145 428 I CA -0.219 61.010 61.300 -0.118 0.000 1.261 428 I CB -0.126 37.826 38.000 -0.081 0.000 1.475 428 I HN 0.466 nan 8.210 nan 0.000 0.533 429 K N 3.590 123.861 120.400 -0.215 0.000 2.312 429 K HA 0.852 5.176 4.320 0.006 0.000 0.236 429 K C -0.553 175.980 176.600 -0.111 0.000 1.079 429 K CA -0.904 55.256 56.287 -0.211 0.000 0.900 429 K CB 2.079 34.312 32.500 -0.446 0.000 1.297 429 K HN 0.386 nan 8.250 nan 0.000 0.498 430 A N 1.079 123.863 122.820 -0.060 0.000 2.350 430 A HA 0.541 4.864 4.320 0.006 0.000 0.324 430 A C -0.368 177.213 177.584 -0.005 0.000 1.118 430 A CA -0.731 51.290 52.037 -0.028 0.000 0.783 430 A CB 0.425 19.417 19.000 -0.013 0.000 1.236 430 A HN 0.470 nan 8.150 nan 0.000 0.457 431 I N 2.997 123.561 120.570 -0.011 0.000 2.436 431 I HA 0.028 4.202 4.170 0.006 0.000 0.289 431 I C 1.456 177.568 176.117 -0.008 0.000 1.083 431 I CA 0.461 61.758 61.300 -0.006 0.000 1.372 431 I CB -0.001 37.988 38.000 -0.018 0.000 1.408 431 I HN 0.887 nan 8.210 nan 0.000 0.516 432 Q N 5.636 125.435 119.800 -0.002 0.000 1.895 432 Q HA -0.099 4.245 4.340 0.006 0.000 0.217 432 Q C 0.098 176.078 176.000 -0.033 0.000 1.003 432 Q CA 1.698 57.494 55.803 -0.011 0.000 0.871 432 Q CB 0.192 28.925 28.738 -0.008 0.000 0.941 432 Q HN 0.556 nan 8.270 nan 0.000 0.421 433 R N -0.539 119.922 120.500 -0.065 0.000 2.574 433 R HA 0.426 4.770 4.340 0.006 0.000 0.288 433 R C -1.514 174.723 176.300 -0.104 0.000 1.004 433 R CA -0.410 55.643 56.100 -0.078 0.000 0.895 433 R CB 2.364 32.612 30.300 -0.086 0.000 1.191 433 R HN -0.046 nan 8.270 nan 0.000 0.444 434 V N 4.032 123.902 119.914 -0.074 0.000 2.432 434 V HA 0.392 4.516 4.120 0.006 0.000 0.275 434 V C 0.001 176.056 176.094 -0.066 0.000 1.043 434 V CA -0.473 61.784 62.300 -0.071 0.000 0.925 434 V CB 1.357 33.152 31.823 -0.048 0.000 0.985 434 V HN 0.595 nan 8.190 nan 0.000 0.466 435 V N 4.030 123.902 119.914 -0.070 0.000 2.823 435 V HA 0.662 4.785 4.120 0.006 0.000 0.312 435 V C -0.547 175.556 176.094 0.015 0.000 1.072 435 V CA -1.061 61.218 62.300 -0.036 0.000 0.937 435 V CB 1.947 33.729 31.823 -0.069 0.000 1.013 435 V HN 0.608 nan 8.190 nan 0.000 0.430 436 L N 4.069 125.317 121.223 0.041 0.000 2.349 436 L HA 0.480 4.823 4.340 0.006 0.000 0.275 436 L C 0.382 177.323 176.870 0.119 0.000 1.115 436 L CA -0.200 54.683 54.840 0.071 0.000 0.820 436 L CB 1.154 43.251 42.059 0.063 0.000 1.135 436 L HN 0.582 nan 8.230 nan 0.000 0.445 437 M N 5.090 124.782 119.600 0.154 0.000 2.754 437 M HA 0.279 4.762 4.480 0.006 0.000 0.327 437 M C -0.512 175.883 176.300 0.158 0.000 1.288 437 M CA -0.115 55.295 55.300 0.183 0.000 1.324 437 M CB 0.587 33.340 32.600 0.255 0.000 1.169 437 M HN 0.518 nan 8.290 nan 0.000 0.494 438 M N 2.341 122.041 119.600 0.166 0.000 3.596 438 M HA 0.223 4.707 4.480 0.006 0.000 0.219 438 M C 1.149 177.551 176.300 0.168 0.000 1.471 438 M CA 0.216 55.624 55.300 0.179 0.000 1.644 438 M CB -1.311 31.418 32.600 0.216 0.000 1.083 438 M HN 0.936 nan 8.290 nan 0.000 0.579 439 G N 2.634 111.486 108.800 0.086 0.000 2.846 439 G HA2 -0.365 3.599 3.960 0.006 0.000 0.317 439 G HA3 -0.365 3.599 3.960 0.006 0.000 0.317 439 G C 1.010 175.851 174.900 -0.098 0.000 1.210 439 G CA 0.444 45.546 45.100 0.003 0.000 0.972 439 G HN 0.570 nan 8.290 nan 0.000 0.567 440 R N 0.034 120.365 120.500 -0.282 0.000 2.300 440 R HA 0.409 4.752 4.340 0.006 0.000 0.199 440 R C 0.155 176.064 176.300 -0.652 0.000 0.920 440 R CA 0.051 55.824 56.100 -0.546 0.000 1.046 440 R CB 0.018 29.843 30.300 -0.791 0.000 0.984 440 R HN 0.278 nan 8.270 nan 0.000 0.493 441 F N -1.415 118.559 119.950 0.040 0.000 2.613 441 F HA 0.504 5.035 4.527 0.006 0.000 0.342 441 F C 0.009 175.856 175.800 0.078 0.000 1.066 441 F CA -1.245 56.786 58.000 0.052 0.000 1.002 441 F CB 1.087 40.112 39.000 0.042 0.000 1.319 441 F HN -0.460 nan 8.300 nan 0.000 0.495 442 V N 0.830 120.921 119.914 0.295 0.000 2.709 442 V HA 0.432 4.556 4.120 0.006 0.000 0.308 442 V C -1.076 175.105 176.094 0.146 0.000 1.062 442 V CA -0.674 61.750 62.300 0.206 0.000 0.901 442 V CB 2.035 33.997 31.823 0.231 0.000 1.003 442 V HN 0.605 nan 8.190 nan 0.000 0.425 443 E N 4.944 125.206 120.200 0.104 0.000 2.220 443 E HA 0.397 4.751 4.350 0.006 0.000 0.256 443 E C -2.798 173.821 176.600 0.032 0.000 0.881 443 E CA -1.990 54.448 56.400 0.063 0.000 0.766 443 E CB 2.468 32.204 29.700 0.061 0.000 1.187 443 E HN 0.359 nan 8.360 nan 0.000 0.419 444 P HA 0.187 nan 4.420 nan 0.000 0.271 444 P C -0.149 177.147 177.300 -0.007 0.000 1.216 444 P CA 0.115 63.211 63.100 -0.008 0.000 0.771 444 P CB 0.446 32.141 31.700 -0.009 0.000 0.864 445 I N -1.432 119.129 120.570 -0.016 0.000 3.074 445 I HA 0.485 4.658 4.170 0.006 0.000 0.310 445 I C 0.425 176.529 176.117 -0.021 0.000 1.153 445 I CA -0.925 60.366 61.300 -0.016 0.000 0.993 445 I CB 2.317 40.308 38.000 -0.016 0.000 1.237 445 I HN 0.068 nan 8.210 nan 0.000 0.443 446 D N 1.515 121.902 120.400 -0.020 0.000 2.077 446 D HA -0.097 4.547 4.640 0.006 0.000 0.197 446 D C 0.229 176.515 176.300 -0.024 0.000 0.983 446 D CA 2.174 56.161 54.000 -0.021 0.000 0.841 446 D CB 0.264 41.053 40.800 -0.019 0.000 0.992 446 D HN 0.847 nan 8.370 nan 0.000 0.450 447 D N -1.834 118.550 120.400 -0.025 0.000 2.801 447 D HA 0.360 5.004 4.640 0.006 0.000 0.277 447 D C -1.145 175.136 176.300 -0.032 0.000 1.125 447 D CA -0.805 53.178 54.000 -0.028 0.000 1.102 447 D CB 1.215 42.000 40.800 -0.025 0.000 1.400 447 D HN 0.184 nan 8.370 nan 0.000 0.601 448 C N 1.064 120.343 119.300 -0.035 0.000 3.080 448 C HA 0.386 4.849 4.460 0.006 0.000 0.388 448 C C -2.872 172.091 174.990 -0.045 0.000 1.079 448 C CA -0.771 58.221 59.018 -0.042 0.000 1.289 448 C CB 0.532 28.244 27.740 -0.047 0.000 1.702 448 C HN 0.489 nan 8.230 nan 0.000 0.516 449 P HA 0.297 nan 4.420 nan 0.000 0.271 449 P C -0.094 177.171 177.300 -0.059 0.000 1.244 449 P CA 0.228 63.301 63.100 -0.045 0.000 0.793 449 P CB 0.664 32.337 31.700 -0.045 0.000 0.984 450 A N 0.299 123.088 122.820 -0.053 0.000 2.445 450 A HA 0.455 4.778 4.320 0.006 0.000 0.242 450 A C 1.380 178.905 177.584 -0.099 0.000 1.075 450 A CA 0.742 52.738 52.037 -0.069 0.000 0.777 450 A CB -1.261 17.719 19.000 -0.032 0.000 1.013 450 A HN 0.865 nan 8.150 nan 0.000 0.493 451 G N 1.294 109.995 108.800 -0.165 0.000 2.218 451 G HA2 -0.184 3.780 3.960 0.006 0.000 0.216 451 G HA3 -0.184 3.780 3.960 0.006 0.000 0.216 451 G C 0.088 174.878 174.900 -0.185 0.000 0.994 451 G CA 0.113 45.106 45.100 -0.179 0.000 0.637 451 G HN 0.789 nan 8.290 nan 0.000 0.505 452 N N 0.554 119.151 118.700 -0.172 0.000 2.430 452 N HA 0.586 5.329 4.740 0.006 0.000 0.298 452 N C 0.051 175.455 175.510 -0.177 0.000 1.130 452 N CA -0.503 52.464 53.050 -0.139 0.000 0.894 452 N CB 1.270 39.701 38.487 -0.094 0.000 1.209 452 N HN 0.056 nan 8.380 nan 0.000 0.503 453 I N 2.076 122.562 120.570 -0.141 0.000 2.472 453 I HA 0.369 4.542 4.170 0.006 0.000 0.290 453 I C 0.371 176.405 176.117 -0.137 0.000 1.016 453 I CA -0.159 61.031 61.300 -0.183 0.000 1.348 453 I CB 0.708 38.648 38.000 -0.099 0.000 1.417 453 I HN 0.440 nan 8.210 nan 0.000 0.521 454 I N 3.071 123.516 120.570 -0.208 0.000 3.149 454 I HA 0.690 4.864 4.170 0.006 0.000 0.310 454 I C -0.373 175.690 176.117 -0.090 0.000 1.343 454 I CA -0.245 60.995 61.300 -0.100 0.000 0.955 454 I CB 2.323 40.273 38.000 -0.083 0.000 1.309 454 I HN 0.575 nan 8.210 nan 0.000 0.478 455 G N 3.561 112.367 108.800 0.009 0.000 2.473 455 G HA2 0.748 4.712 3.960 0.006 0.000 0.321 455 G HA3 0.748 4.712 3.960 0.006 0.000 0.321 455 G C -1.846 173.041 174.900 -0.021 0.000 1.200 455 G CA -0.599 44.536 45.100 0.058 0.000 0.963 455 G HN 0.574 nan 8.290 nan 0.000 0.483 456 L N 0.478 121.691 121.223 -0.018 0.000 2.401 456 L HA 0.594 4.937 4.340 0.006 0.000 0.266 456 L C -0.635 176.159 176.870 -0.126 0.000 0.991 456 L CA -1.170 53.631 54.840 -0.065 0.000 0.818 456 L CB 2.504 44.555 42.059 -0.014 0.000 1.321 456 L HN 0.207 nan 8.230 nan 0.000 0.413 457 V N 0.840 120.645 119.914 -0.182 0.000 2.459 457 V HA 0.702 4.826 4.120 0.006 0.000 0.295 457 V C 0.594 176.679 176.094 -0.015 0.000 1.029 457 V CA -0.051 62.131 62.300 -0.197 0.000 0.874 457 V CB 1.369 32.984 31.823 -0.347 0.000 0.985 457 V HN 1.005 nan 8.190 nan 0.000 0.438 458 G N 4.159 113.003 108.800 0.073 0.000 2.325 458 G HA2 -0.161 3.802 3.960 0.006 0.000 0.248 458 G HA3 -0.161 3.802 3.960 0.006 0.000 0.248 458 G C -0.028 174.978 174.900 0.176 0.000 1.108 458 G CA 0.278 45.442 45.100 0.107 0.000 0.881 458 G HN 0.705 nan 8.290 nan 0.000 0.494 459 I N -0.472 120.195 120.570 0.162 0.000 4.864 459 I HA 0.065 4.238 4.170 0.006 0.000 0.337 459 I C 1.845 178.022 176.117 0.100 0.000 1.283 459 I CA 0.436 61.877 61.300 0.234 0.000 1.350 459 I CB 0.147 38.241 38.000 0.157 0.000 1.412 459 I HN 0.258 nan 8.210 nan 0.000 0.487 460 D N 2.115 122.543 120.400 0.046 0.000 2.354 460 D HA -0.257 4.386 4.640 0.006 0.000 0.216 460 D C 1.414 177.621 176.300 -0.154 0.000 0.970 460 D CA 1.024 55.031 54.000 0.011 0.000 0.905 460 D CB -0.158 40.741 40.800 0.165 0.000 0.903 460 D HN 0.606 nan 8.370 nan 0.000 0.508 461 Q N -1.176 118.380 119.800 -0.406 0.000 2.319 461 Q HA 0.138 4.481 4.340 0.006 0.000 0.202 461 Q C 0.602 176.019 176.000 -0.972 0.000 0.896 461 Q CA 0.032 55.431 55.803 -0.673 0.000 0.942 461 Q CB -0.096 28.169 28.738 -0.788 0.000 1.083 461 Q HN 0.253 nan 8.270 nan 0.000 0.510 462 F N 0.266 120.017 119.950 -0.332 0.000 2.747 462 F HA 0.363 4.894 4.527 0.006 0.000 0.305 462 F C 0.539 176.152 175.800 -0.312 0.000 1.065 462 F CA -0.330 57.295 58.000 -0.624 0.000 1.230 462 F CB 0.828 39.426 39.000 -0.669 0.000 1.027 462 F HN -0.125 nan 8.300 nan 0.000 0.607 463 L N 1.262 122.472 121.223 -0.021 0.000 2.313 463 L HA 0.300 4.643 4.340 0.006 0.000 0.283 463 L C 0.786 177.606 176.870 -0.083 0.000 1.013 463 L CA -0.574 54.256 54.840 -0.016 0.000 0.816 463 L CB 2.204 44.264 42.059 0.002 0.000 1.236 463 L HN 0.057 nan 8.230 nan 0.000 0.419 464 L N 3.711 124.884 121.223 -0.083 0.000 2.044 464 L HA -0.026 4.317 4.340 0.006 0.000 0.205 464 L C 1.626 178.368 176.870 -0.213 0.000 1.075 464 L CA 2.056 56.815 54.840 -0.135 0.000 0.747 464 L CB -0.184 41.826 42.059 -0.082 0.000 0.903 464 L HN 0.674 nan 8.230 nan 0.000 0.435 465 K N -2.845 117.431 120.400 -0.207 0.000 2.971 465 K HA 0.222 4.545 4.320 0.006 0.000 0.223 465 K C -0.046 176.412 176.600 -0.236 0.000 1.864 465 K CA 0.400 56.500 56.287 -0.311 0.000 1.245 465 K CB 0.865 33.015 32.500 -0.583 0.000 2.182 465 K HN 0.070 nan 8.250 nan 0.000 0.504 466 T N 0.582 115.019 114.554 -0.196 0.000 2.925 466 T HA 0.671 5.024 4.350 0.006 0.000 0.285 466 T C -0.156 174.476 174.700 -0.114 0.000 1.021 466 T CA -0.496 61.517 62.100 -0.146 0.000 1.042 466 T CB 1.833 70.685 68.868 -0.027 0.000 1.037 466 T HN 0.460 nan 8.240 nan 0.000 0.481 467 G N 0.374 109.051 108.800 -0.206 0.000 2.441 467 G HA2 0.544 4.508 3.960 0.006 0.000 0.294 467 G HA3 0.544 4.508 3.960 0.006 0.000 0.294 467 G C -1.553 173.222 174.900 -0.209 0.000 1.393 467 G CA -0.687 44.331 45.100 -0.138 0.000 0.796 467 G HN 0.682 nan 8.290 nan 0.000 0.494 468 T N 0.498 114.990 114.554 -0.104 0.000 2.879 468 T HA 0.577 4.931 4.350 0.006 0.000 0.290 468 T C -0.996 173.675 174.700 -0.048 0.000 0.993 468 T CA -0.365 61.700 62.100 -0.059 0.000 0.975 468 T CB 1.536 70.408 68.868 0.007 0.000 0.981 468 T HN 0.339 nan 8.240 nan 0.000 0.439 469 L N 3.907 125.123 121.223 -0.012 0.000 2.296 469 L HA 0.713 5.057 4.340 0.006 0.000 0.286 469 L C 0.862 177.735 176.870 0.005 0.000 1.023 469 L CA -0.077 54.752 54.840 -0.019 0.000 0.812 469 L CB 1.421 43.475 42.059 -0.009 0.000 1.223 469 L HN 0.935 nan 8.230 nan 0.000 0.421 470 T N -2.140 112.400 114.554 -0.023 0.000 2.742 470 T HA 0.709 5.062 4.350 0.006 0.000 0.282 470 T C 0.418 175.110 174.700 -0.014 0.000 1.025 470 T CA 0.235 62.336 62.100 0.002 0.000 1.020 470 T CB 1.851 70.726 68.868 0.011 0.000 1.317 470 T HN 0.514 nan 8.240 nan 0.000 0.538 471 T N -2.760 111.795 114.554 0.001 0.000 3.130 471 T HA 0.348 4.701 4.350 0.006 0.000 0.288 471 T C 0.519 175.220 174.700 0.002 0.000 0.936 471 T CA 0.062 62.158 62.100 -0.006 0.000 0.897 471 T CB 0.020 68.886 68.868 -0.003 0.000 1.178 471 T HN 0.710 nan 8.240 nan 0.000 0.543 472 S N 1.062 116.772 115.700 0.017 0.000 2.508 472 S HA 0.327 4.801 4.470 0.006 0.000 0.284 472 S C 0.586 175.204 174.600 0.028 0.000 1.192 472 S CA -0.531 57.685 58.200 0.026 0.000 1.070 472 S CB 1.224 64.450 63.200 0.044 0.000 1.004 472 S HN 0.364 nan 8.310 nan 0.000 0.493 473 E N 2.201 122.416 120.200 0.024 0.000 2.463 473 E HA 0.021 4.374 4.350 0.006 0.000 0.191 473 E C 0.702 177.322 176.600 0.033 0.000 1.083 473 E CA 0.472 56.889 56.400 0.029 0.000 0.872 473 E CB 0.067 29.777 29.700 0.017 0.000 0.966 473 E HN 0.807 nan 8.360 nan 0.000 0.491 474 T N -3.216 111.360 114.554 0.037 0.000 3.087 474 T HA 0.386 4.740 4.350 0.006 0.000 0.283 474 T C 0.489 175.211 174.700 0.038 0.000 0.956 474 T CA -0.412 61.701 62.100 0.021 0.000 0.894 474 T CB 0.638 69.532 68.868 0.042 0.000 1.160 474 T HN 0.073 nan 8.240 nan 0.000 0.532 475 A N 1.735 124.611 122.820 0.094 0.000 2.366 475 A HA 0.621 4.945 4.320 0.006 0.000 0.272 475 A C -0.243 177.428 177.584 0.146 0.000 1.135 475 A CA -0.373 51.792 52.037 0.214 0.000 0.804 475 A CB -0.017 19.108 19.000 0.207 0.000 1.064 475 A HN 0.581 nan 8.150 nan 0.000 0.499 476 H N 1.197 120.356 119.070 0.148 0.000 2.534 476 H HA 0.261 4.820 4.556 0.006 0.000 0.364 476 H C 0.467 175.753 175.328 -0.070 0.000 1.328 476 H CA -0.160 55.868 56.048 -0.032 0.000 1.415 476 H CB 0.349 29.934 29.762 -0.295 0.000 1.573 476 H HN 0.676 nan 8.280 nan 0.000 0.601 477 N N 0.251 119.005 118.700 0.091 0.000 2.399 477 N HA 0.079 4.822 4.740 0.006 0.000 0.250 477 N C -0.146 175.334 175.510 -0.050 0.000 1.272 477 N CA 0.040 53.122 53.050 0.053 0.000 0.928 477 N CB 0.435 38.979 38.487 0.095 0.000 1.158 477 N HN 0.421 nan 8.380 nan 0.000 0.463 478 M N 0.749 120.390 119.600 0.068 0.000 2.359 478 M HA 0.168 4.652 4.480 0.006 0.000 0.322 478 M C 0.745 177.126 176.300 0.135 0.000 1.166 478 M CA -0.773 54.585 55.300 0.097 0.000 1.067 478 M CB 0.610 33.350 32.600 0.233 0.000 1.523 478 M HN 0.145 nan 8.290 nan 0.000 0.467 479 K N 2.923 123.364 120.400 0.068 0.000 2.362 479 K HA -0.029 4.294 4.320 0.006 0.000 0.261 479 K C -1.051 175.665 176.600 0.193 0.000 1.195 479 K CA 0.156 56.489 56.287 0.077 0.000 1.233 479 K CB -0.798 31.712 32.500 0.017 0.000 0.795 479 K HN 0.593 nan 8.250 nan 0.000 0.498 480 V N 2.974 122.975 119.914 0.146 0.000 2.583 480 V HA 0.303 4.426 4.120 0.006 0.000 0.287 480 V C 0.589 176.789 176.094 0.176 0.000 1.051 480 V CA -0.601 61.800 62.300 0.168 0.000 1.010 480 V CB 0.904 32.797 31.823 0.117 0.000 0.988 480 V HN 0.572 nan 8.190 nan 0.000 0.478 481 M N 4.593 124.339 119.600 0.242 0.000 2.063 481 M HA 0.400 4.884 4.480 0.006 0.000 0.348 481 M C 0.136 176.564 176.300 0.213 0.000 1.180 481 M CA -0.119 55.324 55.300 0.239 0.000 1.059 481 M CB 0.916 33.767 32.600 0.419 0.000 1.544 481 M HN 0.651 nan 8.290 nan 0.000 0.447 482 K N 3.196 123.603 120.400 0.012 0.000 2.451 482 K HA 0.343 4.667 4.320 0.006 0.000 0.280 482 K C -1.177 175.282 176.600 -0.235 0.000 1.020 482 K CA 0.686 56.956 56.287 -0.028 0.000 1.008 482 K CB 0.465 32.929 32.500 -0.061 0.000 0.917 482 K HN 0.391 nan 8.250 nan 0.000 0.478 483 F N -0.102 119.871 119.950 0.039 0.000 2.645 483 F HA 0.344 4.874 4.527 0.006 0.000 0.310 483 F C -0.087 175.738 175.800 0.041 0.000 1.102 483 F CA -0.744 57.270 58.000 0.023 0.000 0.952 483 F CB 2.480 41.481 39.000 0.002 0.000 1.326 483 F HN 0.373 nan 8.300 nan 0.000 0.456 484 S N 0.523 116.369 115.700 0.243 0.000 2.536 484 S HA 0.429 4.903 4.470 0.006 0.000 0.271 484 S C -0.501 174.155 174.600 0.095 0.000 1.134 484 S CA -0.422 57.879 58.200 0.168 0.000 0.897 484 S CB 1.883 65.209 63.200 0.211 0.000 1.094 484 S HN 0.639 nan 8.310 nan 0.000 0.473 485 V N 4.086 124.027 119.914 0.045 0.000 3.506 485 V HA 0.238 4.362 4.120 0.006 0.000 0.263 485 V C 0.765 176.836 176.094 -0.038 0.000 1.203 485 V CA 1.097 63.396 62.300 -0.002 0.000 1.133 485 V CB -0.207 31.610 31.823 -0.010 0.000 0.802 485 V HN 0.981 nan 8.190 nan 0.000 0.459 486 S N 2.912 118.553 115.700 -0.098 0.000 2.629 486 S HA 0.144 4.617 4.470 0.006 0.000 0.302 486 S C -2.427 172.055 174.600 -0.196 0.000 1.244 486 S CA -0.704 57.348 58.200 -0.247 0.000 1.098 486 S CB 0.265 63.044 63.200 -0.702 0.000 0.858 486 S HN 0.440 nan 8.310 nan 0.000 0.502 487 P HA 0.183 nan 4.420 nan 0.000 0.273 487 P C 0.867 178.141 177.300 -0.044 0.000 1.428 487 P CA -0.575 62.517 63.100 -0.014 0.000 0.995 487 P CB 0.577 32.308 31.700 0.052 0.000 1.286 488 V N 2.273 122.136 119.914 -0.085 0.000 3.354 488 V HA 0.103 4.227 4.120 0.006 0.000 0.258 488 V C 0.640 176.727 176.094 -0.012 0.000 1.159 488 V CA 0.356 62.575 62.300 -0.135 0.000 1.125 488 V CB -0.342 31.300 31.823 -0.302 0.000 0.774 488 V HN 0.215 nan 8.190 nan 0.000 0.464 489 V N 0.258 120.212 119.914 0.067 0.000 2.789 489 V HA 0.846 4.970 4.120 0.006 0.000 0.311 489 V C -0.943 175.237 176.094 0.144 0.000 1.073 489 V CA -0.525 61.856 62.300 0.136 0.000 0.921 489 V CB 1.443 33.355 31.823 0.148 0.000 1.009 489 V HN 0.729 nan 8.190 nan 0.000 0.426 490 Q N 2.541 122.435 119.800 0.158 0.000 2.534 490 Q HA 0.895 5.238 4.340 0.006 0.000 0.290 490 Q C -1.505 174.559 176.000 0.106 0.000 0.991 490 Q CA -0.989 54.889 55.803 0.125 0.000 0.783 490 Q CB 2.769 31.588 28.738 0.135 0.000 1.470 490 Q HN 1.618 nan 8.270 nan 0.000 0.406 491 V N -3.203 116.747 119.914 0.059 0.000 3.114 491 V HA 0.959 5.082 4.120 0.006 0.000 0.308 491 V C -0.864 175.232 176.094 0.003 0.000 1.168 491 V CA -0.641 61.683 62.300 0.040 0.000 1.015 491 V CB 1.507 33.353 31.823 0.040 0.000 1.050 491 V HN 1.060 nan 8.190 nan 0.000 0.433 492 A N 2.370 125.190 122.820 0.001 0.000 2.289 492 A HA 0.794 5.118 4.320 0.006 0.000 0.298 492 A C -0.316 177.268 177.584 -0.000 0.000 1.208 492 A CA -0.525 51.507 52.037 -0.008 0.000 0.845 492 A CB 0.788 19.785 19.000 -0.005 0.000 1.125 492 A HN 1.330 nan 8.150 nan 0.000 0.517 493 V N 2.656 122.575 119.914 0.008 0.000 2.483 493 V HA 0.580 4.704 4.120 0.006 0.000 0.295 493 V C 0.103 176.205 176.094 0.012 0.000 1.035 493 V CA -0.366 61.934 62.300 -0.001 0.000 0.896 493 V CB 1.349 33.158 31.823 -0.023 0.000 0.986 493 V HN 1.010 nan 8.190 nan 0.000 0.447 494 E N 2.538 122.732 120.200 -0.010 0.000 2.343 494 E HA 0.563 4.916 4.350 0.006 0.000 0.278 494 E C -1.232 175.352 176.600 -0.026 0.000 0.910 494 E CA -0.726 55.672 56.400 -0.002 0.000 0.757 494 E CB 2.540 32.248 29.700 0.013 0.000 1.218 494 E HN 0.603 nan 8.360 nan 0.000 0.435 495 V N 1.650 121.545 119.914 -0.031 0.000 2.649 495 V HA 0.329 4.452 4.120 0.006 0.000 0.292 495 V C 0.853 176.935 176.094 -0.021 0.000 1.055 495 V CA -0.237 62.042 62.300 -0.036 0.000 1.023 495 V CB 1.468 33.265 31.823 -0.043 0.000 0.992 495 V HN 0.784 nan 8.190 nan 0.000 0.480 496 K N 2.205 122.592 120.400 -0.022 0.000 2.116 496 K HA 0.082 4.405 4.320 0.006 0.000 0.203 496 K C 0.273 176.866 176.600 -0.012 0.000 1.052 496 K CA 1.205 57.483 56.287 -0.015 0.000 0.952 496 K CB -0.026 32.464 32.500 -0.016 0.000 0.729 496 K HN 0.823 nan 8.250 nan 0.000 0.446 497 N N 0.099 118.791 118.700 -0.015 0.000 2.444 497 N HA 0.186 4.930 4.740 0.006 0.000 0.262 497 N C -0.023 175.480 175.510 -0.011 0.000 0.974 497 N CA -0.342 52.702 53.050 -0.011 0.000 0.933 497 N CB 1.782 40.262 38.487 -0.011 0.000 1.137 497 N HN 0.003 nan 8.380 nan 0.000 0.498 498 A N 2.359 125.175 122.820 -0.006 0.000 2.131 498 A HA -0.196 4.128 4.320 0.006 0.000 0.220 498 A C 1.723 179.305 177.584 -0.005 0.000 1.158 498 A CA 1.218 53.253 52.037 -0.003 0.000 0.665 498 A CB -0.211 18.790 19.000 0.001 0.000 0.795 498 A HN 0.628 nan 8.150 nan 0.000 0.460 499 N N 0.433 119.129 118.700 -0.007 0.000 2.459 499 N HA -0.072 4.672 4.740 0.006 0.000 0.181 499 N C 0.138 175.640 175.510 -0.012 0.000 1.046 499 N CA 0.990 54.036 53.050 -0.007 0.000 0.904 499 N CB -0.129 38.355 38.487 -0.006 0.000 0.964 499 N HN 0.436 nan 8.380 nan 0.000 0.444 500 D N 0.317 120.706 120.400 -0.018 0.000 2.328 500 D HA -0.011 4.633 4.640 0.006 0.000 0.226 500 D C 1.847 178.125 176.300 -0.038 0.000 1.066 500 D CA -0.205 53.779 54.000 -0.027 0.000 0.861 500 D CB 0.114 40.896 40.800 -0.031 0.000 0.912 500 D HN 0.110 nan 8.370 nan 0.000 0.521 501 L N 2.341 123.545 121.223 -0.031 0.000 1.990 501 L HA -0.119 4.224 4.340 0.006 0.000 0.213 501 L C -0.810 176.029 176.870 -0.052 0.000 1.072 501 L CA 2.240 57.055 54.840 -0.042 0.000 0.755 501 L CB -1.451 40.603 42.059 -0.007 0.000 0.889 501 L HN -0.011 nan 8.230 nan 0.000 0.432 502 P HA -0.216 nan 4.420 nan 0.000 0.216 502 P C 1.283 178.562 177.300 -0.034 0.000 1.150 502 P CA 1.760 64.847 63.100 -0.022 0.000 0.837 502 P CB -0.110 31.584 31.700 -0.010 0.000 0.786 503 K N -0.887 119.491 120.400 -0.038 0.000 2.211 503 K HA -0.087 4.237 4.320 0.006 0.000 0.203 503 K C 2.108 178.675 176.600 -0.054 0.000 1.050 503 K CA 0.664 56.929 56.287 -0.037 0.000 0.945 503 K CB -0.529 31.952 32.500 -0.031 0.000 0.732 503 K HN 0.063 nan 8.250 nan 0.000 0.451 504 L N 0.521 121.690 121.223 -0.090 0.000 2.131 504 L HA -0.079 4.264 4.340 0.006 0.000 0.206 504 L C 1.828 178.597 176.870 -0.169 0.000 1.087 504 L CA 1.319 56.075 54.840 -0.140 0.000 0.767 504 L CB -0.153 41.783 42.059 -0.205 0.000 0.917 504 L HN -0.152 nan 8.230 nan 0.000 0.441 505 V N -0.083 119.738 119.914 -0.154 0.000 2.343 505 V HA -0.238 3.886 4.120 0.006 0.000 0.247 505 V C 2.621 178.691 176.094 -0.039 0.000 1.051 505 V CA 1.897 64.140 62.300 -0.096 0.000 1.036 505 V CB -0.603 31.208 31.823 -0.020 0.000 0.654 505 V HN 0.516 nan 8.190 nan 0.000 0.451 506 E N 0.650 120.832 120.200 -0.031 0.000 2.216 506 E HA -0.007 4.346 4.350 0.006 0.000 0.192 506 E C 2.138 178.731 176.600 -0.011 0.000 0.988 506 E CA 1.087 57.479 56.400 -0.014 0.000 0.834 506 E CB -0.443 29.252 29.700 -0.008 0.000 0.772 506 E HN 0.458 nan 8.360 nan 0.000 0.479 507 G N 0.663 109.454 108.800 -0.016 0.000 2.402 507 G HA2 -0.202 3.761 3.960 0.006 0.000 0.216 507 G HA3 -0.202 3.761 3.960 0.006 0.000 0.216 507 G C 1.515 176.398 174.900 -0.028 0.000 1.162 507 G CA 0.750 45.858 45.100 0.013 0.000 0.777 507 G HN 0.302 nan 8.290 nan 0.000 0.539 508 L N -0.223 120.968 121.223 -0.054 0.000 2.141 508 L HA 0.011 4.355 4.340 0.006 0.000 0.209 508 L C 2.798 179.637 176.870 -0.052 0.000 1.094 508 L CA 1.085 55.890 54.840 -0.058 0.000 0.763 508 L CB -0.239 41.799 42.059 -0.035 0.000 0.908 508 L HN 0.177 nan 8.230 nan 0.000 0.437 509 K N 0.361 120.741 120.400 -0.034 0.000 2.148 509 K HA -0.159 4.164 4.320 0.006 0.000 0.204 509 K C 2.263 178.833 176.600 -0.050 0.000 1.050 509 K CA 1.088 57.360 56.287 -0.025 0.000 0.942 509 K CB 0.102 32.595 32.500 -0.011 0.000 0.724 509 K HN 0.299 nan 8.250 nan 0.000 0.446 510 R N 0.148 120.607 120.500 -0.069 0.000 2.265 510 R HA 0.013 4.356 4.340 0.006 0.000 0.194 510 R C 1.982 178.122 176.300 -0.266 0.000 0.931 510 R CA 0.367 56.417 56.100 -0.083 0.000 1.032 510 R CB -0.277 30.036 30.300 0.022 0.000 0.980 510 R HN 0.103 nan 8.270 nan 0.000 0.497 511 L N 1.369 122.332 121.223 -0.432 0.000 2.141 511 L HA 0.017 4.360 4.340 0.006 0.000 0.209 511 L C 2.253 178.971 176.870 -0.254 0.000 1.094 511 L CA 1.882 56.337 54.840 -0.642 0.000 0.763 511 L CB -0.460 41.331 42.059 -0.446 0.000 0.908 511 L HN 0.228 nan 8.230 nan 0.000 0.437 512 S N -1.265 114.359 115.700 -0.127 0.000 2.481 512 S HA -0.076 4.397 4.470 0.006 0.000 0.231 512 S C 1.835 176.456 174.600 0.036 0.000 0.996 512 S CA 0.735 58.922 58.200 -0.023 0.000 0.942 512 S CB -0.281 62.920 63.200 0.001 0.000 0.768 512 S HN 0.451 nan 8.310 nan 0.000 0.520 513 K N 0.933 121.328 120.400 -0.009 0.000 2.352 513 K HA 0.189 4.512 4.320 0.006 0.000 0.194 513 K C 1.938 178.578 176.600 0.066 0.000 1.038 513 K CA 0.804 57.093 56.287 0.003 0.000 1.023 513 K CB 0.058 32.493 32.500 -0.108 0.000 0.840 513 K HN 0.530 nan 8.250 nan 0.000 0.519 514 S N 0.356 116.093 115.700 0.062 0.000 2.603 514 S HA 0.006 4.479 4.470 0.006 0.000 0.220 514 S C 0.034 174.771 174.600 0.229 0.000 0.967 514 S CA 0.044 58.320 58.200 0.127 0.000 0.920 514 S CB 0.082 63.340 63.200 0.096 0.000 0.773 514 S HN 0.090 nan 8.310 nan 0.000 0.529 515 D N 0.577 121.123 120.400 0.243 0.000 2.804 515 D HA 0.298 4.941 4.640 0.006 0.000 0.209 515 D C -2.510 173.804 176.300 0.024 0.000 1.314 515 D CA -1.585 52.480 54.000 0.108 0.000 0.894 515 D CB 1.994 42.860 40.800 0.111 0.000 1.615 515 D HN -0.171 nan 8.370 nan 0.000 0.571 516 P HA -0.002 nan 4.420 nan 0.000 0.226 516 P C 0.850 178.078 177.300 -0.119 0.000 1.153 516 P CA 0.446 63.363 63.100 -0.304 0.000 0.777 516 P CB 0.259 31.576 31.700 -0.638 0.000 0.794 517 C N -0.630 118.632 119.300 -0.063 0.000 2.906 517 C HA 0.235 4.698 4.460 0.006 0.000 0.274 517 C C 1.118 176.186 174.990 0.131 0.000 1.257 517 C CA -0.233 58.781 59.018 -0.007 0.000 1.695 517 C CB -0.650 27.038 27.740 -0.087 0.000 1.958 517 C HN 0.004 nan 8.230 nan 0.000 0.619 518 V N 1.957 121.963 119.914 0.153 0.000 2.539 518 V HA 0.490 4.614 4.120 0.006 0.000 0.292 518 V C -0.395 175.759 176.094 0.100 0.000 1.045 518 V CA -0.288 62.107 62.300 0.159 0.000 0.945 518 V CB 1.642 33.514 31.823 0.082 0.000 0.993 518 V HN 0.167 nan 8.190 nan 0.000 0.464 519 L N 4.844 126.133 121.223 0.111 0.000 2.406 519 L HA 0.725 5.069 4.340 0.006 0.000 0.272 519 L C -0.015 176.948 176.870 0.156 0.000 0.980 519 L CA 0.102 55.022 54.840 0.132 0.000 0.831 519 L CB 2.051 44.202 42.059 0.153 0.000 1.253 519 L HN 0.851 nan 8.230 nan 0.000 0.406 520 T N 2.013 116.649 114.554 0.137 0.000 2.792 520 T HA 0.771 5.124 4.350 0.006 0.000 0.280 520 T C -0.627 174.183 174.700 0.182 0.000 0.990 520 T CA -0.414 61.743 62.100 0.095 0.000 0.960 520 T CB 1.147 70.039 68.868 0.040 0.000 0.939 520 T HN 0.628 nan 8.240 nan 0.000 0.439 521 Y N 0.517 120.836 120.300 0.033 0.000 2.744 521 Y HA 0.788 5.341 4.550 0.006 0.000 0.330 521 Y C -1.491 174.414 175.900 0.008 0.000 1.263 521 Y CA -1.910 56.200 58.100 0.015 0.000 1.065 521 Y CB 1.575 40.030 38.460 -0.008 0.000 1.306 521 Y HN 0.586 nan 8.280 nan 0.000 0.459 522 M N 2.958 122.645 119.600 0.145 0.000 2.243 522 M HA 0.454 4.937 4.480 0.006 0.000 0.324 522 M C -0.424 175.978 176.300 0.170 0.000 1.031 522 M CA -0.925 54.373 55.300 -0.005 0.000 0.949 522 M CB 2.217 34.780 32.600 -0.062 0.000 1.615 522 M HN 0.857 nan 8.290 nan 0.000 0.430 523 S N 1.391 117.145 115.700 0.090 0.000 2.606 523 S HA 0.174 4.648 4.470 0.006 0.000 0.257 523 S C 0.778 175.464 174.600 0.144 0.000 1.327 523 S CA -0.464 57.838 58.200 0.170 0.000 0.984 523 S CB 0.849 64.117 63.200 0.114 0.000 0.941 523 S HN 0.775 nan 8.310 nan 0.000 0.576 524 E N 0.815 121.115 120.200 0.167 0.000 2.118 524 E HA -0.140 4.213 4.350 0.006 0.000 0.195 524 E C 2.064 178.692 176.600 0.047 0.000 0.992 524 E CA 1.514 57.992 56.400 0.130 0.000 0.804 524 E CB -0.310 29.453 29.700 0.104 0.000 0.741 524 E HN 0.853 nan 8.360 nan 0.000 0.458 525 S N -0.892 114.834 115.700 0.044 0.000 2.603 525 S HA 0.098 4.572 4.470 0.006 0.000 0.229 525 S C 1.561 176.162 174.600 0.002 0.000 0.972 525 S CA 0.516 58.731 58.200 0.024 0.000 0.935 525 S CB 0.392 63.620 63.200 0.047 0.000 0.769 525 S HN 0.406 nan 8.310 nan 0.000 0.536 526 G N 0.545 109.336 108.800 -0.015 0.000 2.195 526 G HA2 -0.249 3.715 3.960 0.006 0.000 0.246 526 G HA3 -0.249 3.715 3.960 0.006 0.000 0.246 526 G C -0.216 174.590 174.900 -0.157 0.000 0.984 526 G CA -0.030 45.025 45.100 -0.075 0.000 0.633 526 G HN 0.592 nan 8.290 nan 0.000 0.525 527 E N 1.306 121.451 120.200 -0.092 0.000 2.452 527 E HA 0.183 4.536 4.350 0.006 0.000 0.261 527 E C 0.044 176.523 176.600 -0.201 0.000 0.987 527 E CA -0.115 56.230 56.400 -0.091 0.000 0.926 527 E CB 0.233 29.920 29.700 -0.022 0.000 0.934 527 E HN 0.461 nan 8.360 nan 0.000 0.452 528 H N 3.505 122.532 119.070 -0.070 0.000 2.864 528 H HA 0.127 4.686 4.556 0.006 0.000 0.281 528 H C -0.068 175.153 175.328 -0.178 0.000 1.093 528 H CA -0.166 55.816 56.048 -0.110 0.000 1.453 528 H CB 0.246 29.966 29.762 -0.070 0.000 1.462 528 H HN 0.224 nan 8.280 nan 0.000 0.480 529 I N 4.164 124.575 120.570 -0.264 0.000 2.392 529 I HA 0.165 4.338 4.170 0.006 0.000 0.295 529 I C 0.397 176.345 176.117 -0.281 0.000 0.985 529 I CA -0.788 60.275 61.300 -0.394 0.000 1.221 529 I CB 1.746 39.188 38.000 -0.930 0.000 1.366 529 I HN 0.174 nan 8.210 nan 0.000 0.467 530 V N 5.086 124.924 119.914 -0.126 0.000 2.407 530 V HA 0.704 4.827 4.120 0.006 0.000 0.291 530 V C 0.169 176.278 176.094 0.025 0.000 1.018 530 V CA -0.583 61.695 62.300 -0.037 0.000 0.842 530 V CB 1.538 33.346 31.823 -0.025 0.000 0.996 530 V HN 0.903 nan 8.190 nan 0.000 0.426 531 A N 3.673 126.546 122.820 0.089 0.000 2.350 531 A HA 0.997 5.320 4.320 0.006 0.000 0.324 531 A C 0.197 177.866 177.584 0.141 0.000 1.118 531 A CA 0.004 52.122 52.037 0.136 0.000 0.783 531 A CB 1.766 20.894 19.000 0.212 0.000 1.236 531 A HN 1.031 nan 8.150 nan 0.000 0.457 532 G N -0.867 108.031 108.800 0.163 0.000 3.042 532 G HA2 0.505 4.469 3.960 0.006 0.000 0.278 532 G HA3 0.505 4.469 3.960 0.006 0.000 0.278 532 G C 0.575 175.625 174.900 0.251 0.000 1.371 532 G CA 0.408 45.686 45.100 0.297 0.000 1.009 532 G HN 1.121 nan 8.290 nan 0.000 0.523 533 T N -3.462 111.266 114.554 0.289 0.000 3.044 533 T HA 0.503 4.857 4.350 0.006 0.000 0.250 533 T C 0.916 175.714 174.700 0.163 0.000 1.081 533 T CA 0.830 62.987 62.100 0.096 0.000 1.040 533 T CB 0.278 69.091 68.868 -0.092 0.000 0.962 533 T HN 1.430 nan 8.240 nan 0.000 0.506 534 G N -0.150 108.753 108.800 0.172 0.000 2.559 534 G HA2 0.417 4.380 3.960 0.006 0.000 0.291 534 G HA3 0.417 4.380 3.960 0.006 0.000 0.291 534 G C -0.053 174.856 174.900 0.015 0.000 1.424 534 G CA -0.166 44.975 45.100 0.069 0.000 0.786 534 G HN 0.007 nan 8.290 nan 0.000 0.485 535 E N -0.682 119.433 120.200 -0.141 0.000 2.038 535 E HA -0.169 4.185 4.350 0.006 0.000 0.195 535 E C 2.366 178.943 176.600 -0.037 0.000 1.000 535 E CA 1.572 57.879 56.400 -0.156 0.000 0.803 535 E CB -0.057 29.461 29.700 -0.303 0.000 0.750 535 E HN 0.318 nan 8.360 nan 0.000 0.448 536 L N 1.193 122.383 121.223 -0.055 0.000 2.046 536 L HA -0.201 4.142 4.340 0.006 0.000 0.208 536 L C 2.533 179.443 176.870 0.068 0.000 1.077 536 L CA 2.190 57.008 54.840 -0.038 0.000 0.747 536 L CB -0.751 41.218 42.059 -0.150 0.000 0.896 536 L HN 0.333 nan 8.230 nan 0.000 0.432 537 H N -0.933 118.148 119.070 0.018 0.000 2.352 537 H HA -0.206 4.353 4.556 0.005 0.000 0.299 537 H C 2.119 177.493 175.328 0.076 0.000 1.097 537 H CA 2.216 58.313 56.048 0.082 0.000 1.311 537 H CB 0.087 29.891 29.762 0.069 0.000 1.377 537 H HN 0.395 nan 8.280 nan 0.000 0.504 538 L N 1.440 122.642 121.223 -0.035 0.000 2.156 538 L HA -0.079 4.265 4.340 0.006 0.000 0.208 538 L C 2.489 179.337 176.870 -0.038 0.000 1.095 538 L CA 1.842 56.637 54.840 -0.074 0.000 0.770 538 L CB -0.581 41.500 42.059 0.037 0.000 0.914 538 L HN 0.232 nan 8.230 nan 0.000 0.439 539 E N 0.509 120.712 120.200 0.006 0.000 2.031 539 E HA -0.240 4.113 4.350 0.006 0.000 0.193 539 E C 2.150 178.768 176.600 0.031 0.000 0.994 539 E CA 2.314 58.730 56.400 0.026 0.000 0.800 539 E CB -0.530 29.189 29.700 0.031 0.000 0.752 539 E HN 0.647 nan 8.360 nan 0.000 0.447 540 I N -1.417 119.180 120.570 0.045 0.000 2.493 540 I HA -0.167 4.006 4.170 0.006 0.000 0.254 540 I C 1.903 178.039 176.117 0.031 0.000 1.160 540 I CA 0.968 62.310 61.300 0.070 0.000 1.445 540 I CB -0.569 37.516 38.000 0.142 0.000 1.086 540 I HN 0.109 nan 8.210 nan 0.000 0.433 541 C N 1.481 120.754 119.300 -0.045 0.000 2.440 541 C HA 0.000 4.463 4.460 0.006 0.000 0.278 541 C C 2.766 177.755 174.990 -0.002 0.000 1.295 541 C CA 0.614 59.598 59.018 -0.057 0.000 1.738 541 C CB -1.053 26.581 27.740 -0.177 0.000 1.987 541 C HN 0.583 nan 8.230 nan 0.000 0.492 542 L N 0.148 121.368 121.223 -0.005 0.000 2.217 542 L HA -0.134 4.210 4.340 0.006 0.000 0.211 542 L C 2.646 179.523 176.870 0.010 0.000 1.107 542 L CA 1.187 56.027 54.840 -0.001 0.000 0.783 542 L CB -0.616 41.442 42.059 -0.001 0.000 0.919 542 L HN 0.475 nan 8.230 nan 0.000 0.442 543 Q N -0.301 119.533 119.800 0.057 0.000 2.137 543 Q HA -0.151 4.192 4.340 0.006 0.000 0.198 543 Q C 1.583 177.694 176.000 0.185 0.000 0.960 543 Q CA 1.116 57.002 55.803 0.138 0.000 0.847 543 Q CB 0.059 28.894 28.738 0.163 0.000 0.915 543 Q HN 0.392 nan 8.270 nan 0.000 0.448 544 D N 0.676 121.156 120.400 0.134 0.000 2.178 544 D HA -0.126 4.517 4.640 0.006 0.000 0.202 544 D C 1.720 178.126 176.300 0.175 0.000 0.974 544 D CA 0.656 54.739 54.000 0.139 0.000 0.841 544 D CB 0.024 40.953 40.800 0.216 0.000 0.953 544 D HN 0.088 nan 8.370 nan 0.000 0.478 545 L N 0.856 122.181 121.223 0.170 0.000 2.072 545 L HA -0.027 4.317 4.340 0.006 0.000 0.205 545 L C 1.882 178.746 176.870 -0.009 0.000 1.079 545 L CA 1.652 56.574 54.840 0.135 0.000 0.752 545 L CB -0.292 41.793 42.059 0.043 0.000 0.906 545 L HN -0.098 nan 8.230 nan 0.000 0.436 546 E N -2.183 117.938 120.200 -0.133 0.000 2.427 546 E HA -0.146 4.207 4.350 0.006 0.000 0.196 546 E C 1.203 177.553 176.600 -0.416 0.000 1.028 546 E CA 0.688 56.906 56.400 -0.303 0.000 0.864 546 E CB 0.073 29.517 29.700 -0.427 0.000 0.813 546 E HN 0.731 nan 8.360 nan 0.000 0.514 547 H N -1.595 117.460 119.070 -0.025 0.000 2.927 547 H HA 0.144 4.704 4.556 0.006 0.000 0.255 547 H C 0.709 175.987 175.328 -0.083 0.000 0.974 547 H CA 0.417 56.437 56.048 -0.047 0.000 1.199 547 H CB 0.702 30.438 29.762 -0.044 0.000 1.447 547 H HN 0.040 nan 8.280 nan 0.000 0.467 548 D N -0.896 119.480 120.400 -0.039 0.000 3.194 548 D HA 0.025 4.669 4.640 0.006 0.000 0.290 548 D C 1.444 177.621 176.300 -0.205 0.000 1.280 548 D CA 0.587 54.474 54.000 -0.189 0.000 1.058 548 D CB -0.383 40.183 40.800 -0.389 0.000 1.241 548 D HN 0.337 nan 8.370 nan 0.000 0.421 549 H N 0.698 119.760 119.070 -0.013 0.000 2.423 549 H HA 0.231 4.791 4.556 0.006 0.000 0.297 549 H C 1.566 176.872 175.328 -0.036 0.000 1.075 549 H CA 1.532 57.564 56.048 -0.026 0.000 1.342 549 H CB 0.368 30.113 29.762 -0.027 0.000 1.395 549 H HN 0.167 nan 8.280 nan 0.000 0.530 550 A N -0.978 121.873 122.820 0.053 0.000 2.042 550 A HA 0.485 4.808 4.320 0.006 0.000 0.207 550 A C 2.082 179.652 177.584 -0.024 0.000 1.598 550 A CA 0.712 52.748 52.037 -0.001 0.000 0.818 550 A CB -0.269 18.715 19.000 -0.027 0.000 1.169 550 A HN 0.437 nan 8.150 nan 0.000 0.548 551 G N -1.133 107.642 108.800 -0.041 0.000 2.176 551 G HA2 -0.118 3.846 3.960 0.006 0.000 0.253 551 G HA3 -0.118 3.846 3.960 0.006 0.000 0.253 551 G C 0.435 175.310 174.900 -0.042 0.000 0.979 551 G CA 0.740 45.820 45.100 -0.034 0.000 0.641 551 G HN 1.778 nan 8.290 nan 0.000 0.530 552 V N -2.301 117.580 119.914 -0.056 0.000 2.612 552 V HA 0.825 4.948 4.120 0.006 0.000 0.301 552 V C -2.047 174.006 176.094 -0.069 0.000 1.046 552 V CA -2.971 59.299 62.300 -0.051 0.000 0.946 552 V CB 1.575 33.372 31.823 -0.044 0.000 1.003 552 V HN 0.012 nan 8.190 nan 0.000 0.459 553 P HA 0.263 nan 4.420 nan 0.000 0.261 553 P C -0.783 176.483 177.300 -0.056 0.000 1.183 553 P CA 0.494 63.562 63.100 -0.053 0.000 0.761 553 P CB 0.186 31.868 31.700 -0.031 0.000 0.785 554 L N 3.172 124.356 121.223 -0.065 0.000 2.346 554 L HA 0.483 4.827 4.340 0.006 0.000 0.274 554 L C 0.636 177.483 176.870 -0.039 0.000 1.007 554 L CA -0.901 53.904 54.840 -0.057 0.000 0.818 554 L CB 2.088 44.104 42.059 -0.072 0.000 1.284 554 L HN 0.229 nan 8.230 nan 0.000 0.424 555 K N 4.032 124.415 120.400 -0.029 0.000 2.281 555 K HA 0.562 4.885 4.320 0.006 0.000 0.272 555 K C -1.236 175.355 176.600 -0.016 0.000 1.048 555 K CA -0.336 55.940 56.287 -0.019 0.000 0.898 555 K CB 0.682 33.174 32.500 -0.013 0.000 1.128 555 K HN 0.523 nan 8.250 nan 0.000 0.460 556 I N 3.652 124.214 120.570 -0.013 0.000 2.433 556 I HA 0.124 4.297 4.170 0.006 0.000 0.292 556 I C 0.286 176.402 176.117 -0.001 0.000 1.001 556 I CA -0.797 60.499 61.300 -0.007 0.000 1.119 556 I CB 2.063 40.060 38.000 -0.006 0.000 1.289 556 I HN 0.668 nan 8.210 nan 0.000 0.438 557 S N 5.845 121.545 115.700 -0.000 0.000 2.603 557 S HA 0.477 4.951 4.470 0.006 0.000 0.268 557 S C -2.496 172.110 174.600 0.010 0.000 1.317 557 S CA -1.201 56.998 58.200 -0.003 0.000 1.012 557 S CB 0.463 63.656 63.200 -0.012 0.000 0.926 557 S HN 0.292 nan 8.310 nan 0.000 0.539 558 P HA 0.245 nan 4.420 nan 0.000 0.267 558 P C -2.507 174.811 177.300 0.030 0.000 1.200 558 P CA -0.888 62.217 63.100 0.008 0.000 0.772 558 P CB -0.730 30.956 31.700 -0.022 0.000 0.855 559 P HA 0.041 nan 4.420 nan 0.000 0.264 559 P C -0.726 176.645 177.300 0.118 0.000 1.193 559 P CA 0.511 63.712 63.100 0.167 0.000 0.763 559 P CB 0.350 32.289 31.700 0.399 0.000 0.810 560 V N 4.802 124.821 119.914 0.176 0.000 2.604 560 V HA 0.228 4.351 4.120 0.006 0.000 0.305 560 V C 0.161 176.406 176.094 0.251 0.000 1.043 560 V CA -0.840 61.568 62.300 0.180 0.000 0.888 560 V CB 2.472 34.391 31.823 0.160 0.000 0.995 560 V HN 0.207 nan 8.190 nan 0.000 0.429 561 V N 3.888 123.965 119.914 0.272 0.000 2.583 561 V HA 0.522 4.645 4.120 0.006 0.000 0.287 561 V C 0.724 176.884 176.094 0.110 0.000 1.051 561 V CA -0.216 62.182 62.300 0.164 0.000 1.010 561 V CB 1.524 33.382 31.823 0.059 0.000 0.988 561 V HN 1.016 nan 8.190 nan 0.000 0.478 562 A N 5.247 128.087 122.820 0.033 0.000 2.366 562 A HA 0.663 4.986 4.320 0.006 0.000 0.272 562 A C -0.870 176.750 177.584 0.059 0.000 1.135 562 A CA -0.112 51.991 52.037 0.110 0.000 0.804 562 A CB 0.060 19.138 19.000 0.131 0.000 1.064 562 A HN 0.736 nan 8.150 nan 0.000 0.499 563 Y N 0.957 121.385 120.300 0.214 0.000 2.675 563 Y HA 0.711 5.265 4.550 0.006 0.000 0.328 563 Y C 0.631 176.521 175.900 -0.016 0.000 1.092 563 Y CA -0.825 57.433 58.100 0.264 0.000 1.190 563 Y CB 1.329 40.036 38.460 0.412 0.000 1.350 563 Y HN 0.519 nan 8.280 nan 0.000 0.525 564 R N 0.886 121.453 120.500 0.111 0.000 2.686 564 R HA 0.350 4.694 4.340 0.006 0.000 0.286 564 R C -1.381 174.948 176.300 0.047 0.000 0.969 564 R CA -0.903 55.089 56.100 -0.180 0.000 0.898 564 R CB 1.808 31.725 30.300 -0.640 0.000 1.183 564 R HN 0.756 nan 8.270 nan 0.000 0.456 565 E N 0.892 121.102 120.200 0.017 0.000 2.175 565 E HA 0.403 4.757 4.350 0.006 0.000 0.278 565 E C -0.329 176.425 176.600 0.256 0.000 0.969 565 E CA -0.382 56.127 56.400 0.181 0.000 0.796 565 E CB 2.208 31.938 29.700 0.049 0.000 1.104 565 E HN 0.354 nan 8.360 nan 0.000 0.395 566 T N 0.713 115.459 114.554 0.320 0.000 2.787 566 T HA 0.544 4.897 4.350 0.006 0.000 0.297 566 T C -1.490 173.151 174.700 -0.098 0.000 1.221 566 T CA -0.665 61.534 62.100 0.166 0.000 1.006 566 T CB 1.593 70.498 68.868 0.061 0.000 1.328 566 T HN 0.313 nan 8.240 nan 0.000 0.509 567 V N 0.525 120.320 119.914 -0.198 0.000 2.914 567 V HA 0.867 4.991 4.120 0.006 0.000 0.314 567 V C -0.478 175.531 176.094 -0.143 0.000 1.084 567 V CA -0.767 61.348 62.300 -0.309 0.000 0.963 567 V CB 1.784 33.344 31.823 -0.438 0.000 1.025 567 V HN 1.048 nan 8.190 nan 0.000 0.432 568 E N 1.544 121.669 120.200 -0.125 0.000 3.575 568 E HA 0.577 4.931 4.350 0.006 0.000 0.201 568 E C -0.244 176.312 176.600 -0.073 0.000 0.999 568 E CA 0.080 56.437 56.400 -0.072 0.000 1.315 568 E CB 0.633 30.308 29.700 -0.041 0.000 1.146 568 E HN 1.265 nan 8.360 nan 0.000 0.453 569 S N -0.720 114.924 115.700 -0.094 0.000 2.633 569 S HA 0.196 4.670 4.470 0.006 0.000 0.271 569 S C -1.079 173.461 174.600 -0.101 0.000 1.112 569 S CA -1.085 57.064 58.200 -0.086 0.000 0.828 569 S CB 1.321 64.472 63.200 -0.081 0.000 1.086 569 S HN 0.233 nan 8.310 nan 0.000 0.461 570 E N 0.826 120.972 120.200 -0.091 0.000 2.373 570 E HA 0.422 4.776 4.350 0.006 0.000 0.263 570 E C -0.435 176.103 176.600 -0.103 0.000 1.073 570 E CA -0.426 55.918 56.400 -0.093 0.000 0.894 570 E CB 0.810 30.460 29.700 -0.084 0.000 1.008 570 E HN 0.637 nan 8.360 nan 0.000 0.420 571 S N 2.102 117.741 115.700 -0.102 0.000 2.596 571 S HA -0.067 4.406 4.470 0.006 0.000 0.298 571 S C 1.186 175.705 174.600 -0.134 0.000 1.255 571 S CA -0.124 58.004 58.200 -0.120 0.000 1.083 571 S CB 0.671 63.816 63.200 -0.091 0.000 0.837 571 S HN 0.530 nan 8.310 nan 0.000 0.499 572 S N 2.755 118.351 115.700 -0.173 0.000 2.392 572 S HA -0.187 4.286 4.470 0.006 0.000 0.232 572 S C 0.934 175.436 174.600 -0.164 0.000 1.041 572 S CA 1.462 59.560 58.200 -0.170 0.000 1.026 572 S CB -0.221 62.851 63.200 -0.213 0.000 0.845 572 S HN 0.919 nan 8.310 nan 0.000 0.465 573 Q N -1.190 118.489 119.800 -0.203 0.000 2.565 573 Q HA 0.456 4.799 4.340 0.006 0.000 0.294 573 Q C -1.423 174.529 176.000 -0.080 0.000 1.005 573 Q CA -0.915 54.803 55.803 -0.141 0.000 0.771 573 Q CB 0.819 29.451 28.738 -0.177 0.000 1.486 573 Q HN -0.115 nan 8.270 nan 0.000 0.422 574 T N 1.392 115.953 114.554 0.012 0.000 2.902 574 T HA 0.374 4.728 4.350 0.006 0.000 0.301 574 T C -0.136 174.663 174.700 0.166 0.000 1.012 574 T CA 0.359 62.509 62.100 0.083 0.000 1.151 574 T CB 0.434 69.383 68.868 0.134 0.000 0.946 574 T HN 0.570 nan 8.240 nan 0.000 0.542 575 A N 3.434 126.328 122.820 0.124 0.000 2.328 575 A HA 0.657 4.981 4.320 0.006 0.000 0.284 575 A C -0.452 177.091 177.584 -0.068 0.000 1.160 575 A CA -0.608 51.511 52.037 0.138 0.000 0.818 575 A CB 0.232 19.306 19.000 0.122 0.000 1.087 575 A HN 0.704 nan 8.150 nan 0.000 0.504 576 L N 2.168 123.133 121.223 -0.430 0.000 2.408 576 L HA 0.834 5.177 4.340 0.006 0.000 0.268 576 L C -0.380 176.101 176.870 -0.649 0.000 0.986 576 L CA 0.095 54.535 54.840 -0.667 0.000 0.820 576 L CB 2.231 43.846 42.059 -0.740 0.000 1.303 576 L HN 0.627 nan 8.230 nan 0.000 0.411 577 S N 3.315 118.746 115.700 -0.449 0.000 2.546 577 S HA 0.621 5.094 4.470 0.006 0.000 0.272 577 S C -1.267 173.200 174.600 -0.222 0.000 1.140 577 S CA -0.774 57.264 58.200 -0.270 0.000 0.920 577 S CB 1.178 64.293 63.200 -0.141 0.000 1.083 577 S HN 0.695 nan 8.310 nan 0.000 0.476 578 K N 1.710 122.017 120.400 -0.155 0.000 2.123 578 K HA 0.522 4.845 4.320 0.006 0.000 0.248 578 K C 0.092 176.645 176.600 -0.079 0.000 0.969 578 K CA -0.635 55.585 56.287 -0.113 0.000 0.882 578 K CB 1.574 34.016 32.500 -0.097 0.000 1.080 578 K HN 0.786 nan 8.250 nan 0.000 0.441 579 S N 0.974 116.637 115.700 -0.062 0.000 2.603 579 S HA 0.158 4.631 4.470 0.006 0.000 0.268 579 S C -1.970 172.587 174.600 -0.072 0.000 1.317 579 S CA -1.114 57.055 58.200 -0.051 0.000 1.012 579 S CB 0.965 64.150 63.200 -0.025 0.000 0.926 579 S HN 0.323 nan 8.310 nan 0.000 0.539 580 P HA -0.158 nan 4.420 nan 0.000 0.216 580 P C 0.997 178.232 177.300 -0.108 0.000 1.150 580 P CA 1.481 64.537 63.100 -0.075 0.000 0.843 580 P CB -0.250 31.415 31.700 -0.058 0.000 0.787 581 N N -1.013 117.612 118.700 -0.126 0.000 2.461 581 N HA -0.080 4.663 4.740 0.006 0.000 0.188 581 N C 0.391 175.634 175.510 -0.445 0.000 1.134 581 N CA 0.532 53.448 53.050 -0.223 0.000 0.878 581 N CB -0.638 37.768 38.487 -0.134 0.000 0.972 581 N HN -0.052 nan 8.380 nan 0.000 0.456 582 K N -1.215 119.014 120.400 -0.285 0.000 3.446 582 K HA -0.226 4.097 4.320 0.006 0.000 0.312 582 K C -0.170 176.282 176.600 -0.247 0.000 1.329 582 K CA 1.265 57.394 56.287 -0.264 0.000 0.935 582 K CB -2.503 29.832 32.500 -0.275 0.000 1.281 582 K HN 0.671 nan 8.250 nan 0.000 0.457 583 H N -0.437 118.601 119.070 -0.052 0.000 2.648 583 H HA 0.189 4.749 4.556 0.006 0.000 0.265 583 H C 0.368 175.710 175.328 0.024 0.000 0.961 583 H CA -0.193 55.831 56.048 -0.039 0.000 1.185 583 H CB 0.476 30.150 29.762 -0.147 0.000 1.449 583 H HN 0.133 nan 8.280 nan 0.000 0.523 584 N N 1.235 119.997 118.700 0.102 0.000 2.284 584 N HA 0.372 5.116 4.740 0.006 0.000 0.300 584 N C -0.764 174.759 175.510 0.022 0.000 1.047 584 N CA -0.467 52.633 53.050 0.084 0.000 0.821 584 N CB 2.659 41.192 38.487 0.077 0.000 1.337 584 N HN 0.152 nan 8.380 nan 0.000 0.482 585 R N 1.182 121.699 120.500 0.028 0.000 2.686 585 R HA 0.627 4.970 4.340 0.006 0.000 0.283 585 R C -0.678 175.582 176.300 -0.067 0.000 0.978 585 R CA -0.656 55.399 56.100 -0.076 0.000 0.897 585 R CB 2.220 32.464 30.300 -0.094 0.000 1.192 585 R HN 0.479 nan 8.270 nan 0.000 0.457 586 I N 3.067 123.515 120.570 -0.203 0.000 2.447 586 I HA 0.315 4.488 4.170 0.006 0.000 0.287 586 I C -1.125 174.843 176.117 -0.249 0.000 1.023 586 I CA -0.788 60.447 61.300 -0.109 0.000 1.083 586 I CB 1.539 39.506 38.000 -0.055 0.000 1.245 586 I HN 0.491 nan 8.210 nan 0.000 0.434 587 Y N 7.177 127.450 120.300 -0.045 0.000 2.331 587 Y HA 0.609 5.162 4.550 0.006 0.000 0.338 587 Y C -0.105 175.764 175.900 -0.051 0.000 0.976 587 Y CA -0.975 57.098 58.100 -0.046 0.000 1.137 587 Y CB 1.366 39.805 38.460 -0.035 0.000 1.172 587 Y HN 0.399 nan 8.280 nan 0.000 0.478 588 L N 0.485 121.752 121.223 0.074 0.000 2.397 588 L HA 0.828 5.171 4.340 0.006 0.000 0.251 588 L C -1.409 175.479 176.870 0.029 0.000 1.064 588 L CA -1.493 53.363 54.840 0.027 0.000 0.859 588 L CB 2.311 44.370 42.059 -0.000 0.000 1.468 588 L HN 0.448 nan 8.230 nan 0.000 0.411 589 K N 0.345 120.747 120.400 0.003 0.000 2.525 589 K HA 0.874 5.197 4.320 0.006 0.000 0.254 589 K C -1.573 175.022 176.600 -0.008 0.000 0.934 589 K CA -0.373 55.911 56.287 -0.004 0.000 0.802 589 K CB 2.178 34.663 32.500 -0.025 0.000 1.295 589 K HN 1.137 nan 8.250 nan 0.000 0.433 590 A N 2.931 125.750 122.820 -0.001 0.000 2.295 590 A HA 0.652 4.975 4.320 0.006 0.000 0.318 590 A C -1.044 176.515 177.584 -0.042 0.000 1.134 590 A CA -0.342 51.699 52.037 0.007 0.000 0.827 590 A CB 0.681 19.705 19.000 0.040 0.000 1.136 590 A HN 0.854 nan 8.150 nan 0.000 0.493 591 E N 1.013 121.191 120.200 -0.036 0.000 2.390 591 E HA 0.529 4.882 4.350 0.006 0.000 0.280 591 E C -3.204 173.373 176.600 -0.038 0.000 0.992 591 E CA -2.055 54.308 56.400 -0.061 0.000 0.790 591 E CB 1.983 31.634 29.700 -0.082 0.000 1.248 591 E HN 0.347 nan 8.360 nan 0.000 0.447 592 P HA 0.160 nan 4.420 nan 0.000 0.271 592 P C -0.373 176.937 177.300 0.016 0.000 1.218 592 P CA -0.016 63.075 63.100 -0.016 0.000 0.780 592 P CB 0.783 32.466 31.700 -0.028 0.000 0.901 593 I N 2.486 123.092 120.570 0.060 0.000 2.392 593 I HA 0.180 4.353 4.170 0.006 0.000 0.295 593 I C 0.673 176.852 176.117 0.104 0.000 0.985 593 I CA -0.789 60.579 61.300 0.114 0.000 1.221 593 I CB 0.849 38.941 38.000 0.152 0.000 1.366 593 I HN 0.168 nan 8.210 nan 0.000 0.467 594 D N 5.692 126.171 120.400 0.131 0.000 2.449 594 D HA -0.052 4.591 4.640 0.006 0.000 0.236 594 D C 1.089 177.458 176.300 0.115 0.000 1.149 594 D CA 0.142 54.215 54.000 0.121 0.000 0.878 594 D CB 1.016 41.912 40.800 0.160 0.000 1.198 594 D HN 0.478 nan 8.370 nan 0.000 0.446 595 E N 1.598 121.858 120.200 0.101 0.000 2.118 595 E HA -0.188 4.165 4.350 0.006 0.000 0.195 595 E C 1.558 178.226 176.600 0.113 0.000 0.992 595 E CA 0.977 57.438 56.400 0.102 0.000 0.804 595 E CB 0.150 29.903 29.700 0.088 0.000 0.741 595 E HN 0.532 nan 8.360 nan 0.000 0.458 596 E N 0.049 120.333 120.200 0.140 0.000 2.085 596 E HA -0.160 4.193 4.350 0.006 0.000 0.194 596 E C 2.202 178.869 176.600 0.113 0.000 0.994 596 E CA 1.431 57.949 56.400 0.196 0.000 0.801 596 E CB 0.031 29.916 29.700 0.307 0.000 0.743 596 E HN 0.098 nan 8.360 nan 0.000 0.453 597 V N 0.805 120.740 119.914 0.036 0.000 2.379 597 V HA -0.201 3.922 4.120 0.006 0.000 0.245 597 V C 2.298 178.338 176.094 -0.090 0.000 1.044 597 V CA 1.645 63.832 62.300 -0.187 0.000 1.036 597 V CB -0.387 31.416 31.823 -0.033 0.000 0.664 597 V HN 0.161 nan 8.190 nan 0.000 0.453 598 S N 0.398 116.114 115.700 0.026 0.000 2.368 598 S HA -0.136 4.337 4.470 0.006 0.000 0.225 598 S C 1.898 176.544 174.600 0.076 0.000 1.030 598 S CA 1.360 59.597 58.200 0.062 0.000 0.999 598 S CB -0.354 62.899 63.200 0.088 0.000 0.844 598 S HN 0.330 nan 8.310 nan 0.000 0.459 599 L N 1.634 122.910 121.223 0.087 0.000 2.046 599 L HA 0.015 4.359 4.340 0.006 0.000 0.208 599 L C 2.631 179.545 176.870 0.074 0.000 1.077 599 L CA 1.597 56.502 54.840 0.108 0.000 0.747 599 L CB -1.529 40.602 42.059 0.120 0.000 0.896 599 L HN 0.291 nan 8.230 nan 0.000 0.432 600 A N -0.434 122.394 122.820 0.014 0.000 1.908 600 A HA -0.198 4.126 4.320 0.006 0.000 0.218 600 A C 2.348 179.920 177.584 -0.020 0.000 1.181 600 A CA 1.852 53.871 52.037 -0.030 0.000 0.627 600 A CB -0.713 18.123 19.000 -0.273 0.000 0.818 600 A HN 0.388 nan 8.150 nan 0.000 0.445 601 I N -0.616 119.947 120.570 -0.011 0.000 2.252 601 I HA -0.233 3.941 4.170 0.006 0.000 0.245 601 I C 2.316 178.465 176.117 0.053 0.000 1.102 601 I CA 1.552 62.882 61.300 0.050 0.000 1.385 601 I CB -0.430 37.656 38.000 0.143 0.000 1.064 601 I HN 0.399 nan 8.210 nan 0.000 0.414 602 E N 0.640 120.887 120.200 0.078 0.000 2.338 602 E HA -0.125 4.228 4.350 0.006 0.000 0.197 602 E C 0.911 177.565 176.600 0.089 0.000 1.007 602 E CA 0.568 57.024 56.400 0.094 0.000 0.849 602 E CB -0.010 29.775 29.700 0.142 0.000 0.774 602 E HN 0.425 nan 8.360 nan 0.000 0.506 603 N N -0.636 118.111 118.700 0.078 0.000 2.214 603 N HA 0.075 4.818 4.740 0.006 0.000 0.214 603 N C 0.786 176.335 175.510 0.064 0.000 1.132 603 N CA 0.712 53.811 53.050 0.082 0.000 0.856 603 N CB 1.356 39.895 38.487 0.087 0.000 1.020 603 N HN 0.235 nan 8.380 nan 0.000 0.509 604 G N 1.105 109.931 108.800 0.042 0.000 2.245 604 G HA2 -0.337 3.627 3.960 0.006 0.000 0.264 604 G HA3 -0.337 3.627 3.960 0.006 0.000 0.264 604 G C 1.133 176.039 174.900 0.009 0.000 0.985 604 G CA 0.565 45.680 45.100 0.025 0.000 0.625 604 G HN 0.384 nan 8.290 nan 0.000 0.536 605 I N 0.604 121.186 120.570 0.021 0.000 2.099 605 I HA -0.053 4.120 4.170 0.006 0.000 0.239 605 I C 1.519 177.641 176.117 0.008 0.000 1.066 605 I CA 1.363 62.681 61.300 0.030 0.000 1.324 605 I CB -0.203 37.842 38.000 0.076 0.000 1.037 605 I HN 0.187 nan 8.210 nan 0.000 0.401 606 I N 2.120 122.675 120.570 -0.024 0.000 2.291 606 I HA 0.106 4.279 4.170 0.006 0.000 0.292 606 I C -0.101 175.988 176.117 -0.047 0.000 1.064 606 I CA -0.083 61.200 61.300 -0.029 0.000 1.269 606 I CB 0.121 38.075 38.000 -0.077 0.000 1.418 606 I HN 0.205 nan 8.210 nan 0.000 0.485 607 N N 8.341 126.994 118.700 -0.080 0.000 2.372 607 N HA 0.352 5.096 4.740 0.006 0.000 0.291 607 N C -2.059 173.254 175.510 -0.327 0.000 1.024 607 N CA -1.940 50.987 53.050 -0.204 0.000 0.873 607 N CB 2.738 41.167 38.487 -0.097 0.000 1.206 607 N HN 0.130 nan 8.380 nan 0.000 0.486 608 P HA 0.014 nan 4.420 nan 0.000 0.221 608 P C 0.298 177.495 177.300 -0.171 0.000 1.150 608 P CA 1.231 63.938 63.100 -0.655 0.000 0.800 608 P CB 0.356 31.572 31.700 -0.807 0.000 0.787 609 R N -1.245 119.173 120.500 -0.137 0.000 2.317 609 R HA 0.180 4.523 4.340 0.006 0.000 0.208 609 R C 0.332 176.630 176.300 -0.003 0.000 0.914 609 R CA -0.078 55.997 56.100 -0.041 0.000 1.060 609 R CB -0.431 29.849 30.300 -0.034 0.000 1.015 609 R HN 0.191 nan 8.270 nan 0.000 0.498 610 D N 1.259 121.655 120.400 -0.006 0.000 2.329 610 D HA -0.015 4.629 4.640 0.006 0.000 0.246 610 D C -0.572 175.761 176.300 0.054 0.000 1.111 610 D CA -0.375 53.635 54.000 0.017 0.000 0.941 610 D CB 0.806 41.609 40.800 0.006 0.000 1.169 610 D HN -0.081 nan 8.370 nan 0.000 0.441 611 D N 0.855 121.271 120.400 0.027 0.000 2.487 611 D HA -0.086 4.558 4.640 0.006 0.000 0.243 611 D C 1.004 177.303 176.300 -0.001 0.000 1.154 611 D CA 0.050 54.056 54.000 0.009 0.000 0.876 611 D CB 0.136 40.893 40.800 -0.070 0.000 1.161 611 D HN 0.376 nan 8.370 nan 0.000 0.478 612 F N 2.989 122.962 119.950 0.038 0.000 2.307 612 F HA -0.040 4.490 4.527 0.006 0.000 0.301 612 F C 1.568 177.395 175.800 0.044 0.000 1.076 612 F CA 0.796 58.826 58.000 0.051 0.000 1.383 612 F CB -0.219 38.817 39.000 0.060 0.000 1.055 612 F HN 0.248 nan 8.300 nan 0.000 0.526 613 K N 0.568 120.522 120.400 -0.743 0.000 2.166 613 K HA 0.222 4.546 4.320 0.006 0.000 0.201 613 K C 2.429 178.908 176.600 -0.203 0.000 1.052 613 K CA 0.722 56.706 56.287 -0.504 0.000 0.969 613 K CB -0.243 31.872 32.500 -0.642 0.000 0.761 613 K HN 0.327 nan 8.250 nan 0.000 0.459 614 A N 1.762 124.482 122.820 -0.168 0.000 1.930 614 A HA -0.152 4.172 4.320 0.006 0.000 0.217 614 A C 2.068 179.632 177.584 -0.033 0.000 1.175 614 A CA 1.179 53.168 52.037 -0.079 0.000 0.627 614 A CB -0.381 18.581 19.000 -0.064 0.000 0.815 614 A HN 0.169 nan 8.150 nan 0.000 0.443 615 R N -0.191 120.298 120.500 -0.017 0.000 2.092 615 R HA -0.063 4.280 4.340 0.006 0.000 0.231 615 R C 2.211 178.516 176.300 0.009 0.000 1.119 615 R CA 1.396 57.504 56.100 0.013 0.000 0.970 615 R CB -0.398 29.933 30.300 0.052 0.000 0.864 615 R HN 0.407 nan 8.270 nan 0.000 0.440 616 A N 1.067 123.900 122.820 0.021 0.000 1.933 616 A HA -0.172 4.151 4.320 0.006 0.000 0.218 616 A C 2.175 179.788 177.584 0.048 0.000 1.175 616 A CA 1.419 53.482 52.037 0.044 0.000 0.628 616 A CB -0.449 18.605 19.000 0.089 0.000 0.814 616 A HN 0.289 nan 8.150 nan 0.000 0.444 617 R N 0.182 120.698 120.500 0.026 0.000 2.096 617 R HA -0.001 4.343 4.340 0.006 0.000 0.235 617 R C 1.731 178.061 176.300 0.050 0.000 1.127 617 R CA 1.603 57.722 56.100 0.031 0.000 0.968 617 R CB -0.618 29.685 30.300 0.004 0.000 0.861 617 R HN 0.599 nan 8.270 nan 0.000 0.440 618 I N -0.363 120.239 120.570 0.053 0.000 2.252 618 I HA -0.263 3.910 4.170 0.006 0.000 0.245 618 I C 2.125 178.352 176.117 0.183 0.000 1.102 618 I CA 1.371 62.728 61.300 0.096 0.000 1.385 618 I CB -0.212 37.847 38.000 0.098 0.000 1.064 618 I HN 0.198 nan 8.210 nan 0.000 0.414 619 M N 0.277 119.947 119.600 0.117 0.000 2.229 619 M HA -0.118 4.365 4.480 0.006 0.000 0.264 619 M C 2.450 178.901 176.300 0.252 0.000 1.063 619 M CA 1.697 57.058 55.300 0.101 0.000 1.114 619 M CB -0.415 31.997 32.600 -0.313 0.000 1.387 619 M HN 0.288 nan 8.290 nan 0.000 0.420 620 A N 0.327 123.267 122.820 0.200 0.000 1.874 620 A HA -0.114 4.210 4.320 0.006 0.000 0.214 620 A C 1.720 179.388 177.584 0.141 0.000 1.189 620 A CA 1.538 53.698 52.037 0.206 0.000 0.615 620 A CB -0.420 18.671 19.000 0.152 0.000 0.830 620 A HN 0.313 nan 8.150 nan 0.000 0.443 621 D N 0.196 120.651 120.400 0.091 0.000 2.120 621 D HA -0.065 4.578 4.640 0.006 0.000 0.202 621 D C 0.857 177.148 176.300 -0.016 0.000 0.972 621 D CA 1.309 55.330 54.000 0.035 0.000 0.837 621 D CB -0.254 40.555 40.800 0.015 0.000 0.989 621 D HN 0.376 nan 8.370 nan 0.000 0.469 622 D N -1.312 119.053 120.400 -0.059 0.000 2.366 622 D HA 0.009 4.653 4.640 0.006 0.000 0.205 622 D C 0.635 176.602 176.300 -0.555 0.000 1.022 622 D CA 0.361 54.160 54.000 -0.335 0.000 0.868 622 D CB 0.224 40.736 40.800 -0.480 0.000 0.953 622 D HN 0.326 nan 8.370 nan 0.000 0.514 623 Y N -0.596 119.764 120.300 0.100 0.000 2.672 623 Y HA 0.344 4.897 4.550 0.006 0.000 0.252 623 Y C 1.366 177.416 175.900 0.251 0.000 1.132 623 Y CA -0.340 57.857 58.100 0.162 0.000 1.228 623 Y CB 0.980 39.532 38.460 0.154 0.000 1.310 623 Y HN -0.061 nan 8.280 nan 0.000 0.549 624 G N 0.136 109.105 108.800 0.282 0.000 2.273 624 G HA2 -0.308 3.655 3.960 0.006 0.000 0.280 624 G HA3 -0.308 3.655 3.960 0.006 0.000 0.280 624 G C -0.355 174.697 174.900 0.253 0.000 1.047 624 G CA -0.179 45.047 45.100 0.210 0.000 0.869 624 G HN 0.290 nan 8.290 nan 0.000 0.502 625 W N 0.037 121.388 121.300 0.085 0.000 2.375 625 W HA 0.555 5.218 4.660 0.006 0.000 0.336 625 W C 0.219 176.764 176.519 0.043 0.000 1.160 625 W CA -0.628 56.754 57.345 0.061 0.000 1.266 625 W CB 0.779 30.281 29.460 0.069 0.000 1.195 625 W HN 0.064 nan 8.180 nan 0.000 0.599 626 D N 1.681 122.181 120.400 0.167 0.000 2.339 626 D HA -0.021 4.622 4.640 0.006 0.000 0.256 626 D C 1.203 177.628 176.300 0.208 0.000 1.214 626 D CA 0.190 54.265 54.000 0.125 0.000 0.877 626 D CB 1.595 42.412 40.800 0.029 0.000 1.111 626 D HN 0.212 nan 8.370 nan 0.000 0.478 627 V N 3.575 123.592 119.914 0.171 0.000 2.688 627 V HA -0.261 3.863 4.120 0.006 0.000 0.256 627 V C 1.835 178.024 176.094 0.159 0.000 1.084 627 V CA 2.048 64.448 62.300 0.166 0.000 1.103 627 V CB -0.249 31.643 31.823 0.115 0.000 0.688 627 V HN 0.621 nan 8.190 nan 0.000 0.480 628 T N 0.037 114.667 114.554 0.128 0.000 2.674 628 T HA -0.167 4.186 4.350 0.006 0.000 0.265 628 T C 1.571 176.350 174.700 0.131 0.000 1.039 628 T CA 1.822 63.987 62.100 0.108 0.000 1.150 628 T CB -0.372 68.535 68.868 0.065 0.000 0.864 628 T HN 0.588 nan 8.240 nan 0.000 0.427 629 D N 1.450 121.940 120.400 0.151 0.000 2.097 629 D HA -0.002 4.642 4.640 0.006 0.000 0.195 629 D C 2.385 178.869 176.300 0.307 0.000 0.989 629 D CA 1.258 55.374 54.000 0.195 0.000 0.827 629 D CB -0.587 40.308 40.800 0.158 0.000 0.966 629 D HN 0.392 nan 8.370 nan 0.000 0.456 630 A N 0.793 123.846 122.820 0.387 0.000 2.024 630 A HA -0.162 4.161 4.320 0.006 0.000 0.220 630 A C 2.121 179.815 177.584 0.183 0.000 1.164 630 A CA 1.095 53.275 52.037 0.237 0.000 0.643 630 A CB -0.419 18.684 19.000 0.172 0.000 0.806 630 A HN 0.086 nan 8.150 nan 0.000 0.451 631 R N -0.877 119.758 120.500 0.224 0.000 2.275 631 R HA 0.074 4.417 4.340 0.006 0.000 0.199 631 R C 0.602 177.035 176.300 0.221 0.000 0.989 631 R CA 0.651 56.936 56.100 0.308 0.000 1.016 631 R CB 0.033 30.530 30.300 0.327 0.000 0.918 631 R HN 0.376 nan 8.270 nan 0.000 0.473 632 K N 0.592 121.093 120.400 0.169 0.000 2.498 632 K HA 0.249 4.573 4.320 0.006 0.000 0.207 632 K C -0.316 176.377 176.600 0.155 0.000 1.033 632 K CA -0.162 56.210 56.287 0.141 0.000 1.138 632 K CB 0.648 33.195 32.500 0.079 0.000 0.860 632 K HN 0.047 nan 8.250 nan 0.000 0.490 633 I N 1.250 121.910 120.570 0.151 0.000 2.598 633 I HA -0.129 4.044 4.170 0.006 0.000 0.284 633 I C 0.649 176.923 176.117 0.261 0.000 1.140 633 I CA 0.016 61.381 61.300 0.108 0.000 1.420 633 I CB 0.356 38.364 38.000 0.013 0.000 1.387 633 I HN 0.254 nan 8.210 nan 0.000 0.553 634 W N 6.144 127.389 121.300 -0.092 0.000 2.630 634 W HA 0.131 4.794 4.660 0.006 0.000 0.271 634 W C 0.767 177.273 176.519 -0.021 0.000 1.244 634 W CA -0.224 57.081 57.345 -0.066 0.000 1.353 634 W CB -0.054 29.349 29.460 -0.094 0.000 1.080 634 W HN 0.687 nan 8.180 nan 0.000 0.594 635 C N -3.627 115.775 119.300 0.170 0.000 3.253 635 C HA 0.583 5.047 4.460 0.006 0.000 0.342 635 C C -0.520 174.572 174.990 0.170 0.000 1.306 635 C CA -1.958 57.193 59.018 0.222 0.000 1.207 635 C CB 0.211 28.086 27.740 0.225 0.000 1.479 635 C HN -0.058 nan 8.230 nan 0.000 0.469 636 F N 0.878 120.915 119.950 0.145 0.000 2.461 636 F HA 0.865 5.395 4.527 0.006 0.000 0.332 636 F C 1.138 177.085 175.800 0.245 0.000 1.073 636 F CA 0.673 58.782 58.000 0.182 0.000 1.017 636 F CB 2.237 41.288 39.000 0.085 0.000 1.301 636 F HN 1.211 nan 8.300 nan 0.000 0.492 637 G N 0.746 109.770 108.800 0.373 0.000 2.616 637 G HA2 0.519 4.483 3.960 0.006 0.000 0.294 637 G HA3 0.519 4.483 3.960 0.006 0.000 0.294 637 G C -3.417 171.461 174.900 -0.037 0.000 1.489 637 G CA -1.143 44.017 45.100 0.101 0.000 0.836 637 G HN 0.200 nan 8.290 nan 0.000 0.527 638 P HA 0.320 nan 4.420 nan 0.000 0.289 638 P C -0.317 176.917 177.300 -0.110 0.000 1.299 638 P CA -0.078 62.918 63.100 -0.172 0.000 0.766 638 P CB 0.518 32.079 31.700 -0.233 0.000 1.226 639 D N -1.917 118.388 120.400 -0.159 0.000 3.039 639 D HA -0.197 4.446 4.640 0.006 0.000 0.222 639 D C 0.951 177.216 176.300 -0.059 0.000 1.179 639 D CA 1.828 55.751 54.000 -0.129 0.000 0.880 639 D CB -1.821 38.902 40.800 -0.128 0.000 1.115 639 D HN 0.841 nan 8.370 nan 0.000 0.416 640 G N 1.003 109.803 108.800 -0.000 0.000 2.168 640 G HA2 -0.371 3.592 3.960 0.006 0.000 0.257 640 G HA3 -0.371 3.592 3.960 0.006 0.000 0.257 640 G C 0.517 175.461 174.900 0.073 0.000 0.997 640 G CA 1.155 46.300 45.100 0.074 0.000 0.708 640 G HN 0.738 nan 8.290 nan 0.000 0.520 641 N N -1.368 117.368 118.700 0.061 0.000 1.997 641 N HA 0.303 5.046 4.740 0.006 0.000 0.225 641 N C 0.909 176.469 175.510 0.083 0.000 1.383 641 N CA 0.777 53.813 53.050 -0.023 0.000 0.770 641 N CB -0.352 38.072 38.487 -0.105 0.000 1.178 641 N HN 0.751 nan 8.380 nan 0.000 0.515 642 G N 0.761 109.645 108.800 0.141 0.000 2.651 642 G HA2 0.384 4.347 3.960 0.006 0.000 0.260 642 G HA3 0.384 4.347 3.960 0.006 0.000 0.260 642 G C -2.201 172.825 174.900 0.209 0.000 1.216 642 G CA -1.243 43.924 45.100 0.111 0.000 0.913 642 G HN -0.003 nan 8.290 nan 0.000 0.535 643 P HA 0.129 nan 4.420 nan 0.000 0.249 643 P C -0.756 176.606 177.300 0.103 0.000 1.686 643 P CA 0.129 63.301 63.100 0.120 0.000 0.873 643 P CB -0.247 31.493 31.700 0.065 0.000 1.828 644 N N 0.543 119.330 118.700 0.144 0.000 2.260 644 N HA 0.418 5.161 4.740 0.006 0.000 0.293 644 N C -1.022 174.634 175.510 0.244 0.000 1.058 644 N CA -0.480 52.694 53.050 0.207 0.000 0.824 644 N CB 2.243 40.834 38.487 0.174 0.000 1.551 644 N HN -0.036 nan 8.380 nan 0.000 0.475 645 L N 0.940 122.259 121.223 0.160 0.000 2.381 645 L HA 0.602 4.945 4.340 0.006 0.000 0.268 645 L C -0.556 176.118 176.870 -0.327 0.000 0.997 645 L CA -1.109 53.641 54.840 -0.149 0.000 0.818 645 L CB 2.532 44.467 42.059 -0.207 0.000 1.310 645 L HN 0.101 nan 8.230 nan 0.000 0.416 646 V N 4.065 123.657 119.914 -0.537 0.000 2.347 646 V HA 0.403 4.526 4.120 0.006 0.000 0.280 646 V C -0.110 175.804 176.094 -0.299 0.000 1.021 646 V CA -0.438 61.529 62.300 -0.555 0.000 0.847 646 V CB 1.668 33.075 31.823 -0.693 0.000 0.990 646 V HN 0.377 nan 8.190 nan 0.000 0.444 647 I N 3.741 124.155 120.570 -0.259 0.000 2.339 647 I HA 0.320 4.493 4.170 0.006 0.000 0.290 647 I C 0.029 175.921 176.117 -0.374 0.000 0.994 647 I CA -0.580 60.597 61.300 -0.205 0.000 1.191 647 I CB 1.512 39.475 38.000 -0.061 0.000 1.343 647 I HN 0.592 nan 8.210 nan 0.000 0.458 648 D N 6.322 126.417 120.400 -0.508 0.000 2.352 648 D HA 0.133 4.777 4.640 0.006 0.000 0.245 648 D C 0.089 176.227 176.300 -0.270 0.000 1.224 648 D CA 0.258 53.889 54.000 -0.615 0.000 0.879 648 D CB 0.678 41.013 40.800 -0.775 0.000 1.057 648 D HN 0.470 nan 8.370 nan 0.000 0.491 649 Q N 2.381 122.045 119.800 -0.228 0.000 2.141 649 Q HA 0.134 4.478 4.340 0.006 0.000 0.248 649 Q C 0.076 176.012 176.000 -0.106 0.000 0.834 649 Q CA -0.328 55.397 55.803 -0.130 0.000 1.096 649 Q CB 0.788 29.457 28.738 -0.115 0.000 1.189 649 Q HN 0.597 nan 8.270 nan 0.000 0.471 650 T N -1.481 113.006 114.554 -0.112 0.000 2.874 650 T HA 0.479 4.833 4.350 0.006 0.000 0.281 650 T C -0.117 174.558 174.700 -0.041 0.000 0.994 650 T CA -0.642 61.414 62.100 -0.073 0.000 1.015 650 T CB 1.423 70.253 68.868 -0.062 0.000 1.028 650 T HN -0.015 nan 8.240 nan 0.000 0.523 651 K N 0.959 121.337 120.400 -0.036 0.000 2.507 651 K HA 0.631 4.954 4.320 0.006 0.000 0.252 651 K C -0.197 176.391 176.600 -0.020 0.000 0.943 651 K CA -0.732 55.541 56.287 -0.025 0.000 0.808 651 K CB 1.807 34.288 32.500 -0.033 0.000 1.142 651 K HN 1.046 nan 8.250 nan 0.000 0.426 652 A N 1.227 124.041 122.820 -0.010 0.000 2.578 652 A HA -0.125 4.199 4.320 0.006 0.000 0.298 652 A C -0.325 177.250 177.584 -0.016 0.000 1.472 652 A CA 0.213 52.242 52.037 -0.015 0.000 0.734 652 A CB -1.788 17.199 19.000 -0.023 0.000 1.091 652 A HN 0.335 nan 8.150 nan 0.000 0.426 653 V N 2.078 121.993 119.914 0.002 0.000 2.347 653 V HA 0.357 4.481 4.120 0.006 0.000 0.280 653 V C 0.628 176.719 176.094 -0.004 0.000 1.021 653 V CA 0.017 62.324 62.300 0.012 0.000 0.847 653 V CB 1.627 33.477 31.823 0.045 0.000 0.990 653 V HN 0.781 nan 8.190 nan 0.000 0.444 654 Q N 3.855 123.612 119.800 -0.071 0.000 2.313 654 Q HA 0.211 4.554 4.340 0.006 0.000 0.266 654 Q C -0.235 175.666 176.000 -0.165 0.000 0.989 654 Q CA 0.088 55.739 55.803 -0.254 0.000 0.890 654 Q CB 0.154 28.628 28.738 -0.441 0.000 1.200 654 Q HN 0.777 nan 8.270 nan 0.000 0.396 655 Y N 1.100 121.422 120.300 0.036 0.000 4.841 655 Y HA -0.348 4.205 4.550 0.006 0.000 0.242 655 Y C 0.820 176.647 175.900 -0.122 0.000 1.002 655 Y CA 0.145 58.184 58.100 -0.102 0.000 2.011 655 Y CB -1.577 36.825 38.460 -0.097 0.000 1.554 655 Y HN 0.684 nan 8.280 nan 0.000 0.618 656 L N 1.649 122.957 121.223 0.142 0.000 2.043 656 L HA -0.244 4.100 4.340 0.006 0.000 0.212 656 L C 2.805 179.791 176.870 0.194 0.000 1.075 656 L CA 2.767 57.729 54.840 0.203 0.000 0.752 656 L CB -0.686 41.525 42.059 0.252 0.000 0.891 656 L HN 0.592 nan 8.230 nan 0.000 0.432 657 H N -1.306 117.842 119.070 0.129 0.000 2.491 657 H HA -0.053 4.506 4.556 0.006 0.000 0.290 657 H C 1.394 176.715 175.328 -0.012 0.000 1.050 657 H CA 1.277 57.328 56.048 0.005 0.000 1.309 657 H CB -0.433 29.319 29.762 -0.016 0.000 1.392 657 H HN 0.571 nan 8.280 nan 0.000 0.554 658 E N 1.051 120.961 120.200 -0.483 0.000 2.482 658 E HA 0.042 4.395 4.350 0.006 0.000 0.196 658 E C 1.696 178.232 176.600 -0.108 0.000 1.047 658 E CA 0.689 56.906 56.400 -0.306 0.000 0.869 658 E CB 0.189 29.693 29.700 -0.326 0.000 0.836 658 E HN 0.757 nan 8.360 nan 0.000 0.520 659 I N -2.900 117.649 120.570 -0.035 0.000 4.154 659 I HA 0.198 4.371 4.170 0.006 0.000 0.334 659 I C 1.849 178.000 176.117 0.057 0.000 1.371 659 I CA -0.295 61.026 61.300 0.036 0.000 1.110 659 I CB 0.292 38.351 38.000 0.097 0.000 1.085 659 I HN -0.192 nan 8.210 nan 0.000 0.398 660 K N 1.873 122.228 120.400 -0.074 0.000 2.063 660 K HA -0.205 4.118 4.320 0.006 0.000 0.208 660 K C 1.336 177.848 176.600 -0.147 0.000 1.048 660 K CA 2.391 58.481 56.287 -0.329 0.000 0.928 660 K CB -0.025 31.971 32.500 -0.840 0.000 0.713 660 K HN 0.303 nan 8.250 nan 0.000 0.442 661 D N -0.030 120.312 120.400 -0.097 0.000 2.178 661 D HA -0.082 4.562 4.640 0.006 0.000 0.201 661 D C 1.851 178.176 176.300 0.041 0.000 0.980 661 D CA 0.979 54.960 54.000 -0.030 0.000 0.842 661 D CB -0.010 40.775 40.800 -0.026 0.000 0.948 661 D HN 0.165 nan 8.370 nan 0.000 0.472 662 S N -0.394 115.340 115.700 0.057 0.000 2.395 662 S HA -0.046 4.427 4.470 0.006 0.000 0.225 662 S C 2.291 176.972 174.600 0.136 0.000 1.027 662 S CA 0.229 58.482 58.200 0.088 0.000 0.965 662 S CB 0.057 63.298 63.200 0.068 0.000 0.812 662 S HN 0.074 nan 8.310 nan 0.000 0.482 663 V N 1.651 121.671 119.914 0.176 0.000 2.343 663 V HA -0.130 3.994 4.120 0.006 0.000 0.247 663 V C 2.311 178.558 176.094 0.255 0.000 1.051 663 V CA 1.386 63.829 62.300 0.238 0.000 1.036 663 V CB -0.734 31.326 31.823 0.395 0.000 0.654 663 V HN 0.321 nan 8.190 nan 0.000 0.451 664 V N 0.321 120.376 119.914 0.234 0.000 2.343 664 V HA -0.260 3.863 4.120 0.006 0.000 0.247 664 V C 2.721 178.955 176.094 0.234 0.000 1.051 664 V CA 2.027 64.464 62.300 0.229 0.000 1.036 664 V CB -1.147 30.759 31.823 0.138 0.000 0.654 664 V HN 0.559 nan 8.190 nan 0.000 0.451 665 A N 0.093 123.027 122.820 0.190 0.000 1.883 665 A HA -0.163 4.161 4.320 0.006 0.000 0.217 665 A C 2.436 180.211 177.584 0.319 0.000 1.186 665 A CA 2.226 54.393 52.037 0.217 0.000 0.624 665 A CB -0.873 18.256 19.000 0.215 0.000 0.822 665 A HN 0.590 nan 8.150 nan 0.000 0.444 666 A N -1.591 121.397 122.820 0.279 0.000 1.933 666 A HA -0.067 4.257 4.320 0.006 0.000 0.218 666 A C 2.016 179.760 177.584 0.266 0.000 1.175 666 A CA 1.650 53.840 52.037 0.256 0.000 0.628 666 A CB -0.665 18.427 19.000 0.154 0.000 0.814 666 A HN 0.619 nan 8.150 nan 0.000 0.444 667 F N 0.561 120.575 119.950 0.108 0.000 2.186 667 F HA -0.130 4.400 4.527 0.006 0.000 0.299 667 F C 2.429 178.255 175.800 0.043 0.000 1.090 667 F CA 1.710 59.755 58.000 0.075 0.000 1.307 667 F CB -0.109 38.940 39.000 0.081 0.000 1.019 667 F HN 0.209 nan 8.300 nan 0.000 0.489 668 Q N -0.850 118.973 119.800 0.039 0.000 2.124 668 Q HA -0.231 4.113 4.340 0.006 0.000 0.202 668 Q C 2.121 177.936 176.000 -0.308 0.000 0.977 668 Q CA 1.980 57.666 55.803 -0.196 0.000 0.850 668 Q CB -1.094 27.494 28.738 -0.249 0.000 0.901 668 Q HN 0.604 nan 8.270 nan 0.000 0.429 669 W N 0.507 121.761 121.300 -0.077 0.000 2.476 669 W HA 0.095 4.758 4.660 0.006 0.000 0.281 669 W C 2.424 178.881 176.519 -0.103 0.000 1.230 669 W CA 0.686 57.983 57.345 -0.081 0.000 1.287 669 W CB -0.269 29.157 29.460 -0.057 0.000 1.108 669 W HN 0.118 nan 8.180 nan 0.000 0.567 670 A N 0.187 123.049 122.820 0.070 0.000 1.930 670 A HA -0.171 4.152 4.320 0.006 0.000 0.217 670 A C 1.942 179.472 177.584 -0.091 0.000 1.175 670 A CA 2.219 54.280 52.037 0.040 0.000 0.627 670 A CB -1.337 17.658 19.000 -0.009 0.000 0.815 670 A HN 0.281 nan 8.150 nan 0.000 0.443 671 T N -2.800 111.559 114.554 -0.326 0.000 3.067 671 T HA 0.022 4.375 4.350 0.006 0.000 0.261 671 T C 1.705 176.241 174.700 -0.273 0.000 1.110 671 T CA 1.362 63.228 62.100 -0.389 0.000 1.113 671 T CB 0.011 68.506 68.868 -0.623 0.000 0.917 671 T HN 0.318 nan 8.240 nan 0.000 0.499 672 K N 2.045 122.311 120.400 -0.223 0.000 2.116 672 K HA 0.082 4.405 4.320 0.006 0.000 0.203 672 K C 0.479 176.984 176.600 -0.158 0.000 1.052 672 K CA 0.933 57.098 56.287 -0.202 0.000 0.952 672 K CB 0.132 32.504 32.500 -0.213 0.000 0.729 672 K HN 0.505 nan 8.250 nan 0.000 0.446 673 E N 0.314 120.454 120.200 -0.101 0.000 2.325 673 E HA 0.290 4.644 4.350 0.006 0.000 0.248 673 E C -0.725 175.770 176.600 -0.176 0.000 0.912 673 E CA -0.554 55.772 56.400 -0.124 0.000 0.782 673 E CB 1.468 31.147 29.700 -0.034 0.000 1.264 673 E HN 0.347 nan 8.360 nan 0.000 0.417 674 G N 2.780 111.378 108.800 -0.337 0.000 2.634 674 G HA2 0.135 4.098 3.960 0.006 0.000 0.255 674 G HA3 0.135 4.098 3.960 0.006 0.000 0.255 674 G C -1.353 173.148 174.900 -0.665 0.000 1.205 674 G CA -0.905 43.853 45.100 -0.570 0.000 0.884 674 G HN 0.268 nan 8.290 nan 0.000 0.549 675 P HA -0.021 nan 4.420 nan 0.000 0.225 675 P C 1.799 178.929 177.300 -0.284 0.000 1.156 675 P CA 0.610 63.216 63.100 -0.824 0.000 0.787 675 P CB 0.325 31.415 31.700 -1.017 0.000 0.802 676 I N -0.361 120.108 120.570 -0.168 0.000 2.163 676 I HA -0.141 4.032 4.170 0.006 0.000 0.240 676 I C 1.743 178.028 176.117 0.280 0.000 1.081 676 I CA 1.851 63.224 61.300 0.122 0.000 1.353 676 I CB -0.342 37.827 38.000 0.282 0.000 1.054 676 I HN -0.037 nan 8.210 nan 0.000 0.407 677 F N -1.967 117.898 119.950 -0.142 0.000 2.939 677 F HA 0.521 5.051 4.527 0.005 0.000 0.327 677 F C 0.649 176.339 175.800 -0.184 0.000 1.276 677 F CA -0.087 57.839 58.000 -0.123 0.000 0.973 677 F CB -0.188 38.768 39.000 -0.073 0.000 1.460 677 F HN 0.043 nan 8.300 nan 0.000 0.499 678 G N 0.256 108.827 108.800 -0.382 0.000 2.175 678 G HA2 -0.211 3.753 3.960 0.006 0.000 0.244 678 G HA3 -0.211 3.753 3.960 0.006 0.000 0.244 678 G C -0.057 174.564 174.900 -0.465 0.000 0.982 678 G CA 0.089 44.947 45.100 -0.403 0.000 0.641 678 G HN 0.403 nan 8.290 nan 0.000 0.527 679 E N 0.970 120.756 120.200 -0.689 0.000 2.318 679 E HA 0.344 4.698 4.350 0.006 0.000 0.265 679 E C 0.689 177.083 176.600 -0.344 0.000 1.069 679 E CA -0.457 55.621 56.400 -0.536 0.000 0.893 679 E CB 0.667 29.940 29.700 -0.713 0.000 1.076 679 E HN 0.584 nan 8.360 nan 0.000 0.414 680 E N 1.145 121.187 120.200 -0.264 0.000 2.415 680 E HA 0.005 4.358 4.350 0.006 0.000 0.262 680 E C 0.129 176.583 176.600 -0.244 0.000 1.038 680 E CA 0.286 56.537 56.400 -0.248 0.000 0.921 680 E CB 0.550 30.107 29.700 -0.238 0.000 0.950 680 E HN 0.232 nan 8.360 nan 0.000 0.438 681 M N 1.857 121.322 119.600 -0.226 0.000 2.247 681 M HA 0.315 4.798 4.480 0.006 0.000 0.326 681 M C 0.212 176.423 176.300 -0.148 0.000 1.134 681 M CA 0.216 55.425 55.300 -0.152 0.000 1.136 681 M CB 0.991 33.512 32.600 -0.131 0.000 1.454 681 M HN 0.351 nan 8.290 nan 0.000 0.467 682 R N -0.323 120.127 120.500 -0.083 0.000 2.566 682 R HA 0.269 4.612 4.340 0.006 0.000 0.271 682 R C -0.860 175.434 176.300 -0.010 0.000 1.071 682 R CA -0.130 55.907 56.100 -0.105 0.000 0.915 682 R CB 1.480 31.612 30.300 -0.280 0.000 1.228 682 R HN 0.831 nan 8.270 nan 0.000 0.449 683 S N 0.540 116.254 115.700 0.023 0.000 3.698 683 S HA -0.128 4.346 4.470 0.006 0.000 0.338 683 S C -0.520 174.129 174.600 0.080 0.000 1.089 683 S CA 0.860 59.096 58.200 0.059 0.000 0.991 683 S CB -1.241 61.988 63.200 0.048 0.000 0.909 683 S HN 0.366 nan 8.310 nan 0.000 0.485 684 V N 1.710 121.692 119.914 0.115 0.000 2.357 684 V HA 0.484 4.608 4.120 0.006 0.000 0.284 684 V C 0.460 176.667 176.094 0.188 0.000 1.018 684 V CA -0.596 61.797 62.300 0.154 0.000 0.841 684 V CB 1.582 33.545 31.823 0.233 0.000 0.991 684 V HN 0.467 nan 8.190 nan 0.000 0.437 685 R N 4.215 124.794 120.500 0.131 0.000 2.294 685 R HA 0.708 5.051 4.340 0.006 0.000 0.319 685 R C -1.576 174.765 176.300 0.067 0.000 0.984 685 R CA -0.387 55.778 56.100 0.108 0.000 0.861 685 R CB 1.703 32.053 30.300 0.083 0.000 1.104 685 R HN 0.502 nan 8.270 nan 0.000 0.451 686 V N 5.013 124.944 119.914 0.028 0.000 2.384 686 V HA 0.290 4.413 4.120 0.006 0.000 0.287 686 V C -0.567 175.462 176.094 -0.107 0.000 1.020 686 V CA -0.948 61.344 62.300 -0.014 0.000 0.850 686 V CB 1.602 33.433 31.823 0.014 0.000 0.987 686 V HN 0.780 nan 8.190 nan 0.000 0.436 687 N N 5.167 123.813 118.700 -0.090 0.000 2.469 687 N HA 0.452 5.195 4.740 0.006 0.000 0.253 687 N C -0.415 175.019 175.510 -0.126 0.000 0.970 687 N CA -0.305 52.671 53.050 -0.124 0.000 0.940 687 N CB 1.956 40.380 38.487 -0.105 0.000 1.128 687 N HN 0.571 nan 8.380 nan 0.000 0.503 688 I N 3.479 123.931 120.570 -0.197 0.000 2.406 688 I HA 0.004 4.177 4.170 0.006 0.000 0.293 688 I C 1.541 177.577 176.117 -0.135 0.000 1.101 688 I CA -0.046 61.146 61.300 -0.180 0.000 1.334 688 I CB 0.545 38.356 38.000 -0.315 0.000 1.421 688 I HN 0.377 nan 8.210 nan 0.000 0.513 689 L N 4.238 125.427 121.223 -0.057 0.000 2.202 689 L HA 0.167 4.510 4.340 0.006 0.000 0.205 689 L C 0.424 177.262 176.870 -0.054 0.000 1.083 689 L CA 0.833 55.642 54.840 -0.051 0.000 0.790 689 L CB -0.136 41.909 42.059 -0.023 0.000 0.942 689 L HN 0.616 nan 8.230 nan 0.000 0.452 690 D N -1.655 118.749 120.400 0.006 0.000 2.663 690 D HA 0.481 5.124 4.640 0.006 0.000 0.233 690 D C -1.515 174.885 176.300 0.167 0.000 1.240 690 D CA -0.171 53.825 54.000 -0.006 0.000 0.774 690 D CB 2.653 43.305 40.800 -0.247 0.000 1.443 690 D HN -0.310 nan 8.370 nan 0.000 0.441 691 V N 1.374 121.362 119.914 0.123 0.000 2.777 691 V HA 0.644 4.767 4.120 0.006 0.000 0.306 691 V C -0.470 175.715 176.094 0.151 0.000 1.112 691 V CA -0.779 61.621 62.300 0.166 0.000 0.917 691 V CB 2.043 33.928 31.823 0.104 0.000 1.018 691 V HN 0.759 nan 8.190 nan 0.000 0.426 692 T N 3.184 117.849 114.554 0.186 0.000 2.812 692 T HA 0.873 5.227 4.350 0.006 0.000 0.282 692 T C -0.874 173.914 174.700 0.147 0.000 0.990 692 T CA -0.588 61.606 62.100 0.156 0.000 0.960 692 T CB 1.303 70.278 68.868 0.179 0.000 0.948 692 T HN 0.382 nan 8.240 nan 0.000 0.438 693 L N 2.124 123.437 121.223 0.150 0.000 2.333 693 L HA 0.509 4.852 4.340 0.006 0.000 0.263 693 L C 0.340 177.326 176.870 0.194 0.000 1.014 693 L CA -1.363 53.578 54.840 0.168 0.000 0.820 693 L CB 2.083 44.244 42.059 0.170 0.000 1.352 693 L HN 0.736 nan 8.230 nan 0.000 0.421 694 H N 0.767 119.881 119.070 0.072 0.000 2.683 694 H HA 0.137 4.696 4.556 0.006 0.000 0.339 694 H C 0.658 175.995 175.328 0.014 0.000 1.081 694 H CA 0.257 56.314 56.048 0.015 0.000 1.432 694 H CB 1.985 31.717 29.762 -0.049 0.000 1.462 694 H HN 0.856 nan 8.280 nan 0.000 0.557 695 A N 4.663 127.239 122.820 -0.407 0.000 1.917 695 A HA -0.159 4.165 4.320 0.006 0.000 0.219 695 A C 0.542 177.876 177.584 -0.417 0.000 1.182 695 A CA 1.280 53.169 52.037 -0.248 0.000 0.633 695 A CB -0.136 18.747 19.000 -0.195 0.000 0.819 695 A HN 0.749 nan 8.150 nan 0.000 0.448 696 D N -0.379 119.665 120.400 -0.593 0.000 2.312 696 D HA 0.458 5.102 4.640 0.006 0.000 0.252 696 D C 0.993 177.202 176.300 -0.152 0.000 1.150 696 D CA 0.621 54.442 54.000 -0.298 0.000 0.870 696 D CB 1.430 42.135 40.800 -0.158 0.000 1.153 696 D HN 0.211 nan 8.370 nan 0.000 0.457 697 A N 3.638 126.344 122.820 -0.190 0.000 2.121 697 A HA -0.051 4.273 4.320 0.006 0.000 0.218 697 A C 1.227 178.781 177.584 -0.050 0.000 1.154 697 A CA 0.468 52.417 52.037 -0.148 0.000 0.679 697 A CB -0.612 18.280 19.000 -0.180 0.000 0.795 697 A HN 0.664 nan 8.150 nan 0.000 0.458 701 G N -0.119 108.688 108.800 0.013 0.000 2.535 701 G HA2 0.404 4.368 3.960 0.006 0.000 0.282 701 G HA3 0.404 4.368 3.960 0.006 0.000 0.282 701 G C 1.034 175.940 174.900 0.010 0.000 1.350 701 G CA -0.254 44.848 45.100 0.004 0.000 1.039 701 G HN 0.187 nan 8.290 nan 0.000 0.509 702 G N -0.384 108.421 108.800 0.008 0.000 2.440 702 G HA2 -0.034 3.929 3.960 0.006 0.000 0.218 702 G HA3 -0.034 3.929 3.960 0.006 0.000 0.218 702 G C 1.775 176.676 174.900 0.002 0.000 1.154 702 G CA 1.493 46.601 45.100 0.014 0.000 0.767 702 G HN 0.974 nan 8.290 nan 0.000 0.552 703 G N -0.592 108.203 108.800 -0.008 0.000 2.479 703 G HA2 -0.111 3.852 3.960 0.006 0.000 0.220 703 G HA3 -0.111 3.852 3.960 0.006 0.000 0.220 703 G C 1.841 176.729 174.900 -0.019 0.000 1.115 703 G CA 1.049 46.136 45.100 -0.021 0.000 0.757 703 G HN 0.390 nan 8.290 nan 0.000 0.560 704 Q N -0.389 119.408 119.800 -0.006 0.000 2.226 704 Q HA 0.156 4.499 4.340 0.006 0.000 0.199 704 Q C 2.702 178.703 176.000 0.001 0.000 0.945 704 Q CA 0.248 56.050 55.803 -0.003 0.000 0.861 704 Q CB -0.071 28.675 28.738 0.013 0.000 0.953 704 Q HN 0.403 nan 8.270 nan 0.000 0.490 705 I N 0.784 121.363 120.570 0.015 0.000 2.277 705 I HA -0.123 4.051 4.170 0.006 0.000 0.243 705 I C 2.424 178.555 176.117 0.023 0.000 1.094 705 I CA 0.730 62.047 61.300 0.028 0.000 1.393 705 I CB -1.048 36.983 38.000 0.051 0.000 1.078 705 I HN 0.098 nan 8.210 nan 0.000 0.417 706 I N 1.595 122.177 120.570 0.020 0.000 2.118 706 I HA -0.251 3.922 4.170 0.006 0.000 0.241 706 I C -0.304 175.801 176.117 -0.020 0.000 1.070 706 I CA 1.972 63.283 61.300 0.019 0.000 1.327 706 I CB -1.923 36.082 38.000 0.008 0.000 1.034 706 I HN 0.157 nan 8.210 nan 0.000 0.405 707 P HA -0.102 nan 4.420 nan 0.000 0.217 707 P C 1.617 178.884 177.300 -0.054 0.000 1.150 707 P CA 1.484 64.546 63.100 -0.063 0.000 0.832 707 P CB -0.159 31.507 31.700 -0.057 0.000 0.787 708 T N -0.396 114.136 114.554 -0.036 0.000 2.674 708 T HA -0.191 4.163 4.350 0.006 0.000 0.265 708 T C 1.759 176.437 174.700 -0.037 0.000 1.039 708 T CA 1.729 63.806 62.100 -0.038 0.000 1.150 708 T CB -0.769 68.080 68.868 -0.031 0.000 0.864 708 T HN 0.051 nan 8.240 nan 0.000 0.427 709 M N 1.267 120.860 119.600 -0.012 0.000 2.117 709 M HA 0.014 4.497 4.480 0.006 0.000 0.262 709 M C 2.155 178.442 176.300 -0.022 0.000 1.065 709 M CA 1.502 56.808 55.300 0.010 0.000 1.114 709 M CB -0.375 32.264 32.600 0.065 0.000 1.361 709 M HN -0.015 nan 8.290 nan 0.000 0.408 710 R N -0.587 119.863 120.500 -0.084 0.000 2.083 710 R HA -0.115 4.228 4.340 0.006 0.000 0.237 710 R C 2.332 178.375 176.300 -0.428 0.000 1.137 710 R CA 1.973 57.915 56.100 -0.263 0.000 0.951 710 R CB -0.324 29.792 30.300 -0.307 0.000 0.851 710 R HN 0.463 nan 8.270 nan 0.000 0.434 711 R N -0.143 120.224 120.500 -0.222 0.000 2.090 711 R HA 0.001 4.345 4.340 0.006 0.000 0.228 711 R C 2.282 178.609 176.300 0.045 0.000 1.110 711 R CA 1.076 57.141 56.100 -0.058 0.000 0.973 711 R CB -0.229 30.136 30.300 0.109 0.000 0.869 711 R HN 0.183 nan 8.270 nan 0.000 0.440 712 A N 0.596 123.419 122.820 0.005 0.000 1.902 712 A HA -0.137 4.187 4.320 0.006 0.000 0.217 712 A C 2.120 179.758 177.584 0.090 0.000 1.181 712 A CA 1.794 53.849 52.037 0.030 0.000 0.623 712 A CB -0.734 18.249 19.000 -0.029 0.000 0.818 712 A HN 0.229 nan 8.150 nan 0.000 0.443 713 T N -0.986 113.615 114.554 0.077 0.000 2.708 713 T HA -0.142 4.212 4.350 0.006 0.000 0.266 713 T C 1.790 176.659 174.700 0.280 0.000 1.037 713 T CA 1.623 63.827 62.100 0.174 0.000 1.146 713 T CB -0.425 68.553 68.868 0.184 0.000 0.865 713 T HN 0.484 nan 8.240 nan 0.000 0.435 714 Y N 1.587 121.847 120.300 -0.067 0.000 2.145 714 Y HA 0.009 4.562 4.550 0.006 0.000 0.286 714 Y C 2.807 178.722 175.900 0.024 0.000 1.145 714 Y CA 0.121 58.088 58.100 -0.222 0.000 1.148 714 Y CB -1.412 36.545 38.460 -0.840 0.000 0.981 714 Y HN 0.209 nan 8.280 nan 0.000 0.507 715 A N -0.058 122.955 122.820 0.322 0.000 1.902 715 A HA -0.125 4.199 4.320 0.006 0.000 0.217 715 A C 2.675 180.453 177.584 0.324 0.000 1.181 715 A CA 1.906 54.210 52.037 0.445 0.000 0.623 715 A CB -1.405 17.892 19.000 0.494 0.000 0.818 715 A HN 0.455 nan 8.150 nan 0.000 0.443 716 G N -1.603 107.339 108.800 0.238 0.000 2.408 716 G HA2 -0.172 3.791 3.960 0.006 0.000 0.217 716 G HA3 -0.172 3.791 3.960 0.006 0.000 0.217 716 G C 1.464 176.451 174.900 0.146 0.000 1.150 716 G CA 1.017 46.206 45.100 0.149 0.000 0.776 716 G HN 0.496 nan 8.290 nan 0.000 0.542 717 F N 1.137 121.131 119.950 0.073 0.000 2.075 717 F HA 0.038 4.568 4.527 0.006 0.000 0.297 717 F C 2.338 178.157 175.800 0.031 0.000 1.113 717 F CA 1.227 59.251 58.000 0.040 0.000 1.218 717 F CB -0.071 38.941 39.000 0.019 0.000 0.984 717 F HN 0.010 nan 8.300 nan 0.000 0.472 718 L N 0.046 121.471 121.223 0.337 0.000 2.456 718 L HA -0.139 4.204 4.340 0.006 0.000 0.224 718 L C 1.843 178.766 176.870 0.088 0.000 1.148 718 L CA 0.494 55.490 54.840 0.261 0.000 0.825 718 L CB -0.463 41.829 42.059 0.388 0.000 0.937 718 L HN 0.279 nan 8.230 nan 0.000 0.450 719 L N -0.484 120.726 121.223 -0.022 0.000 2.567 719 L HA 0.132 4.475 4.340 0.006 0.000 0.225 719 L C 1.507 178.273 176.870 -0.173 0.000 1.119 719 L CA -0.103 54.619 54.840 -0.197 0.000 0.871 719 L CB -0.008 41.866 42.059 -0.309 0.000 1.036 719 L HN 0.120 nan 8.230 nan 0.000 0.459 720 A N 0.611 123.325 122.820 -0.176 0.000 3.159 720 A HA 0.131 4.455 4.320 0.006 0.000 0.301 720 A C -0.119 177.337 177.584 -0.213 0.000 1.271 720 A CA -0.499 51.420 52.037 -0.197 0.000 0.998 720 A CB -0.660 18.206 19.000 -0.225 0.000 1.101 720 A HN 0.470 nan 8.150 nan 0.000 0.610 721 D N -0.197 120.112 120.400 -0.151 0.000 3.651 721 D HA -0.144 4.500 4.640 0.006 0.000 0.191 721 D C -2.579 173.624 176.300 -0.162 0.000 1.196 721 D CA 0.138 54.069 54.000 -0.116 0.000 0.897 721 D CB -0.859 39.894 40.800 -0.079 0.000 0.872 721 D HN 0.287 nan 8.370 nan 0.000 0.441 722 P HA 0.213 nan 4.420 nan 0.000 0.269 722 P C 0.101 177.369 177.300 -0.054 0.000 1.215 722 P CA -0.069 62.911 63.100 -0.200 0.000 0.780 722 P CB 0.604 32.322 31.700 0.031 0.000 0.898 723 K N 1.267 121.664 120.400 -0.006 0.000 2.495 723 K HA 0.609 4.932 4.320 0.006 0.000 0.268 723 K C -0.291 176.378 176.600 0.114 0.000 1.008 723 K CA -0.758 55.553 56.287 0.039 0.000 0.882 723 K CB 2.100 34.610 32.500 0.017 0.000 1.443 723 K HN 0.529 nan 8.250 nan 0.000 0.447 724 I N -1.803 118.831 120.570 0.106 0.000 2.646 724 I HA 0.489 4.662 4.170 0.006 0.000 0.299 724 I C -0.733 175.505 176.117 0.203 0.000 1.036 724 I CA -0.849 60.556 61.300 0.174 0.000 1.074 724 I CB 2.216 40.297 38.000 0.134 0.000 1.258 724 I HN 0.309 nan 8.210 nan 0.000 0.430 725 Q N 3.648 123.606 119.800 0.264 0.000 2.342 725 Q HA 0.415 4.759 4.340 0.006 0.000 0.267 725 Q C -1.241 175.081 176.000 0.536 0.000 1.038 725 Q CA -0.792 55.207 55.803 0.326 0.000 0.832 725 Q CB 2.732 31.614 28.738 0.240 0.000 1.323 725 Q HN 0.752 nan 8.270 nan 0.000 0.448 726 E N 1.985 122.479 120.200 0.490 0.000 2.195 726 E HA 0.529 4.883 4.350 0.006 0.000 0.271 726 E C -2.608 174.123 176.600 0.219 0.000 0.923 726 E CA -2.371 54.250 56.400 0.369 0.000 0.790 726 E CB 1.567 31.433 29.700 0.276 0.000 1.155 726 E HN 0.180 nan 8.360 nan 0.000 0.402 727 P HA 0.044 nan 4.420 nan 0.000 0.271 727 P C -0.621 176.359 177.300 -0.534 0.000 1.216 727 P CA -0.357 62.422 63.100 -0.534 0.000 0.776 727 P CB 1.083 32.389 31.700 -0.657 0.000 0.881 728 V N 3.994 123.440 119.914 -0.780 0.000 2.577 728 V HA 0.308 4.431 4.120 0.006 0.000 0.303 728 V C -0.041 175.578 176.094 -0.791 0.000 1.042 728 V CA -0.514 61.322 62.300 -0.773 0.000 0.872 728 V CB 1.300 32.569 31.823 -0.923 0.000 0.998 728 V HN 0.331 nan 8.190 nan 0.000 0.423 729 F N 3.971 123.716 119.950 -0.343 0.000 2.382 729 F HA 0.549 5.079 4.527 0.006 0.000 0.331 729 F C 0.108 175.821 175.800 -0.144 0.000 1.121 729 F CA -0.735 57.109 58.000 -0.260 0.000 1.183 729 F CB 1.155 40.019 39.000 -0.227 0.000 1.207 729 F HN 0.320 nan 8.300 nan 0.000 0.555 730 L N 3.504 124.803 121.223 0.126 0.000 2.265 730 L HA 0.595 4.939 4.340 0.006 0.000 0.289 730 L C -1.046 175.798 176.870 -0.042 0.000 1.033 730 L CA -0.381 54.503 54.840 0.073 0.000 0.814 730 L CB 0.794 42.895 42.059 0.069 0.000 1.203 730 L HN 0.295 nan 8.230 nan 0.000 0.423 731 V N 4.812 124.666 119.914 -0.100 0.000 2.427 731 V HA 0.481 4.604 4.120 0.006 0.000 0.286 731 V C -0.103 175.926 176.094 -0.109 0.000 1.034 731 V CA -0.650 61.565 62.300 -0.140 0.000 0.893 731 V CB 1.490 33.203 31.823 -0.183 0.000 0.982 731 V HN 0.775 nan 8.190 nan 0.000 0.452 732 E N 4.474 124.619 120.200 -0.092 0.000 2.185 732 E HA 0.581 4.935 4.350 0.006 0.000 0.261 732 E C -1.542 175.045 176.600 -0.021 0.000 0.879 732 E CA -0.522 55.847 56.400 -0.052 0.000 0.756 732 E CB 1.529 31.205 29.700 -0.041 0.000 1.152 732 E HN 0.639 nan 8.360 nan 0.000 0.416 733 I N 3.586 124.158 120.570 0.004 0.000 2.418 733 I HA 0.223 4.397 4.170 0.006 0.000 0.287 733 I C -0.461 175.702 176.117 0.077 0.000 1.008 733 I CA -0.902 60.419 61.300 0.035 0.000 1.104 733 I CB 1.878 39.885 38.000 0.012 0.000 1.264 733 I HN 0.351 nan 8.210 nan 0.000 0.438 734 Q N 4.424 124.305 119.800 0.136 0.000 2.261 734 Q HA 0.589 4.932 4.340 0.006 0.000 0.252 734 Q C -0.940 175.125 176.000 0.109 0.000 0.915 734 Q CA 0.048 55.924 55.803 0.122 0.000 0.915 734 Q CB 1.901 30.699 28.738 0.100 0.000 1.204 734 Q HN 0.711 nan 8.270 nan 0.000 0.421 735 C N 4.206 123.575 119.300 0.115 0.000 3.199 735 C HA 0.498 4.961 4.460 0.006 0.000 0.392 735 C C -2.799 172.295 174.990 0.173 0.000 1.050 735 C CA -1.637 57.443 59.018 0.104 0.000 1.222 735 C CB 1.360 29.143 27.740 0.071 0.000 1.595 735 C HN 0.636 nan 8.230 nan 0.000 0.560 736 P HA 0.121 nan 4.420 nan 0.000 0.266 736 P C 0.637 178.053 177.300 0.193 0.000 1.195 736 P CA 0.636 63.873 63.100 0.227 0.000 0.768 736 P CB 0.493 32.302 31.700 0.183 0.000 0.838 737 E N 3.208 123.571 120.200 0.272 0.000 2.136 737 E HA -0.354 3.999 4.350 0.006 0.000 0.202 737 E C 1.525 178.110 176.600 -0.025 0.000 1.019 737 E CA 1.770 58.208 56.400 0.063 0.000 0.819 737 E CB -0.014 29.815 29.700 0.216 0.000 0.739 737 E HN 0.546 nan 8.360 nan 0.000 0.458 738 Q N -0.468 119.357 119.800 0.042 0.000 2.135 738 Q HA -0.131 4.212 4.340 0.006 0.000 0.204 738 Q C 1.824 177.828 176.000 0.007 0.000 0.981 738 Q CA 1.605 57.420 55.803 0.020 0.000 0.856 738 Q CB -0.205 28.556 28.738 0.040 0.000 0.902 738 Q HN 0.255 nan 8.270 nan 0.000 0.425 739 A N 0.488 123.319 122.820 0.018 0.000 2.348 739 A HA 0.282 4.605 4.320 0.006 0.000 0.224 739 A C 1.930 179.517 177.584 0.005 0.000 1.227 739 A CA -0.227 51.817 52.037 0.012 0.000 0.885 739 A CB 0.260 19.270 19.000 0.017 0.000 0.933 739 A HN 0.182 nan 8.150 nan 0.000 0.506 740 V N 0.097 120.004 119.914 -0.011 0.000 2.469 740 V HA -0.218 3.906 4.120 0.006 0.000 0.251 740 V C 2.781 178.922 176.094 0.078 0.000 1.064 740 V CA 2.100 64.395 62.300 -0.008 0.000 1.066 740 V CB -1.075 30.677 31.823 -0.118 0.000 0.667 740 V HN 0.598 nan 8.190 nan 0.000 0.461 741 G N 0.259 109.099 108.800 0.066 0.000 2.442 741 G HA2 -0.207 3.757 3.960 0.006 0.000 0.219 741 G HA3 -0.207 3.757 3.960 0.006 0.000 0.219 741 G C 1.609 176.581 174.900 0.119 0.000 1.141 741 G CA 0.965 46.133 45.100 0.115 0.000 0.763 741 G HN 0.593 nan 8.290 nan 0.000 0.554 742 G N 0.924 109.753 108.800 0.049 0.000 2.432 742 G HA2 -0.144 3.819 3.960 0.006 0.000 0.219 742 G HA3 -0.144 3.819 3.960 0.006 0.000 0.219 742 G C 1.736 176.634 174.900 -0.002 0.000 1.135 742 G CA 0.736 45.846 45.100 0.017 0.000 0.767 742 G HN 0.468 nan 8.290 nan 0.000 0.550 743 I N -0.580 119.969 120.570 -0.035 0.000 2.163 743 I HA -0.227 3.947 4.170 0.006 0.000 0.243 743 I C 2.412 178.450 176.117 -0.133 0.000 1.085 743 I CA 1.198 62.419 61.300 -0.132 0.000 1.347 743 I CB -0.324 37.520 38.000 -0.260 0.000 1.044 743 I HN 0.153 nan 8.210 nan 0.000 0.408 744 Y N -0.005 120.304 120.300 0.015 0.000 2.293 744 Y HA -0.203 4.350 4.550 0.005 0.000 0.291 744 Y C 2.979 178.896 175.900 0.029 0.000 1.137 744 Y CA 1.476 59.590 58.100 0.024 0.000 1.202 744 Y CB -0.646 37.816 38.460 0.004 0.000 0.990 744 Y HN 0.113 nan 8.280 nan 0.000 0.537 745 S N -0.314 115.480 115.700 0.157 0.000 2.370 745 S HA -0.158 4.315 4.470 0.006 0.000 0.226 745 S C 2.067 176.712 174.600 0.076 0.000 1.033 745 S CA 1.608 59.864 58.200 0.094 0.000 1.011 745 S CB -0.623 62.612 63.200 0.058 0.000 0.852 745 S HN 0.209 nan 8.310 nan 0.000 0.457 746 V N 1.727 121.675 119.914 0.058 0.000 2.488 746 V HA 0.002 4.125 4.120 0.006 0.000 0.246 746 V C 2.347 178.528 176.094 0.144 0.000 1.046 746 V CA 1.379 63.718 62.300 0.066 0.000 1.053 746 V CB -0.607 31.204 31.823 -0.019 0.000 0.679 746 V HN 0.458 nan 8.190 nan 0.000 0.458 747 L N 0.322 121.633 121.223 0.146 0.000 2.141 747 L HA -0.109 4.234 4.340 0.006 0.000 0.209 747 L C 2.243 179.188 176.870 0.125 0.000 1.094 747 L CA 1.079 56.008 54.840 0.149 0.000 0.763 747 L CB -0.649 41.466 42.059 0.094 0.000 0.908 747 L HN 0.373 nan 8.230 nan 0.000 0.437 748 N N 1.014 119.787 118.700 0.121 0.000 2.453 748 N HA -0.136 4.607 4.740 0.006 0.000 0.183 748 N C 1.137 176.700 175.510 0.088 0.000 1.041 748 N CA 0.974 54.087 53.050 0.104 0.000 0.900 748 N CB -0.039 38.508 38.487 0.099 0.000 0.961 748 N HN 0.549 nan 8.380 nan 0.000 0.443 749 K N -0.777 119.679 120.400 0.093 0.000 2.478 749 K HA 0.309 4.632 4.320 0.006 0.000 0.205 749 K C 0.142 176.802 176.600 0.099 0.000 1.033 749 K CA -0.158 56.181 56.287 0.085 0.000 1.091 749 K CB 0.613 33.157 32.500 0.075 0.000 0.844 749 K HN -0.250 nan 8.250 nan 0.000 0.507 750 K N 1.236 121.702 120.400 0.110 0.000 2.592 750 K HA 0.273 4.596 4.320 0.006 0.000 0.203 750 K C -0.544 176.109 176.600 0.087 0.000 1.070 750 K CA -0.312 56.043 56.287 0.113 0.000 1.062 750 K CB 0.502 33.092 32.500 0.149 0.000 0.814 750 K HN 0.173 nan 8.250 nan 0.000 0.502 751 R N -0.453 120.097 120.500 0.083 0.000 3.627 751 R HA -0.171 4.172 4.340 0.006 0.000 0.281 751 R C 0.439 176.785 176.300 0.078 0.000 1.140 751 R CA 0.686 56.832 56.100 0.077 0.000 0.761 751 R CB -2.171 28.173 30.300 0.072 0.000 1.181 751 R HN 0.396 nan 8.270 nan 0.000 0.472 752 G N 0.629 109.477 108.800 0.079 0.000 2.569 752 G HA2 0.196 4.160 3.960 0.006 0.000 0.249 752 G HA3 0.196 4.160 3.960 0.006 0.000 0.249 752 G C -0.349 174.608 174.900 0.095 0.000 1.216 752 G CA -0.279 44.865 45.100 0.074 0.000 0.845 752 G HN 0.229 nan 8.290 nan 0.000 0.568 753 Q N 0.976 120.841 119.800 0.107 0.000 2.337 753 Q HA 0.383 4.727 4.340 0.006 0.000 0.260 753 Q C -0.886 175.151 176.000 0.061 0.000 0.982 753 Q CA -0.658 55.220 55.803 0.124 0.000 0.734 753 Q CB 1.710 30.572 28.738 0.208 0.000 1.272 753 Q HN 0.367 nan 8.270 nan 0.000 0.461 754 V N 4.754 124.707 119.914 0.066 0.000 2.493 754 V HA -0.031 4.093 4.120 0.006 0.000 0.292 754 V C 1.042 177.130 176.094 -0.010 0.000 1.016 754 V CA 0.317 62.640 62.300 0.038 0.000 1.097 754 V CB 0.988 32.908 31.823 0.162 0.000 0.947 754 V HN 0.791 nan 8.190 nan 0.000 0.479 755 V N 3.654 123.504 119.914 -0.107 0.000 2.575 755 V HA 0.103 4.226 4.120 0.006 0.000 0.242 755 V C 0.791 176.858 176.094 -0.045 0.000 1.045 755 V CA 1.496 63.715 62.300 -0.136 0.000 1.065 755 V CB 0.536 32.170 31.823 -0.315 0.000 0.717 755 V HN 1.024 nan 8.190 nan 0.000 0.467 756 S N -0.953 114.734 115.700 -0.021 0.000 2.578 756 S HA 0.508 4.982 4.470 0.006 0.000 0.272 756 S C -1.203 173.439 174.600 0.070 0.000 1.145 756 S CA -0.769 57.447 58.200 0.027 0.000 0.835 756 S CB 2.429 65.634 63.200 0.008 0.000 1.104 756 S HN 0.329 nan 8.310 nan 0.000 0.458 757 E N 0.473 120.743 120.200 0.116 0.000 2.244 757 E HA 0.479 4.832 4.350 0.006 0.000 0.260 757 E C -1.287 175.423 176.600 0.184 0.000 0.884 757 E CA -0.219 56.294 56.400 0.189 0.000 0.777 757 E CB 1.469 31.332 29.700 0.272 0.000 1.197 757 E HN 0.684 nan 8.360 nan 0.000 0.416 758 E N 3.333 123.626 120.200 0.155 0.000 2.256 758 E HA 0.228 4.581 4.350 0.006 0.000 0.267 758 E C -1.427 175.130 176.600 -0.072 0.000 0.892 758 E CA -0.681 55.751 56.400 0.054 0.000 0.775 758 E CB 1.908 31.615 29.700 0.012 0.000 1.207 758 E HN 0.459 nan 8.360 nan 0.000 0.420 759 Q N 3.182 122.817 119.800 -0.276 0.000 2.333 759 Q HA 0.290 4.633 4.340 0.006 0.000 0.267 759 Q C -0.961 174.832 176.000 -0.345 0.000 1.012 759 Q CA -0.859 54.545 55.803 -0.664 0.000 0.824 759 Q CB 1.412 29.495 28.738 -1.091 0.000 1.290 759 Q HN 0.462 nan 8.270 nan 0.000 0.449 760 R N 5.396 125.728 120.500 -0.279 0.000 2.404 760 R HA 0.157 4.501 4.340 0.006 0.000 0.315 760 R C -2.058 174.156 176.300 -0.142 0.000 1.032 760 R CA -1.156 54.858 56.100 -0.144 0.000 0.992 760 R CB 0.406 30.664 30.300 -0.071 0.000 0.959 760 R HN 0.447 nan 8.270 nan 0.000 0.428 761 P HA -0.036 nan 4.420 nan 0.000 0.262 761 P C 0.425 177.681 177.300 -0.075 0.000 1.199 761 P CA 1.099 64.147 63.100 -0.087 0.000 0.763 761 P CB 0.991 32.654 31.700 -0.061 0.000 0.790 762 G N 2.703 111.456 108.800 -0.077 0.000 2.420 762 G HA2 -0.224 3.739 3.960 0.006 0.000 0.221 762 G HA3 -0.224 3.739 3.960 0.006 0.000 0.221 762 G C 0.356 175.199 174.900 -0.095 0.000 1.117 762 G CA 0.335 45.392 45.100 -0.073 0.000 0.657 762 G HN 0.860 nan 8.290 nan 0.000 0.512 763 T N -0.314 114.180 114.554 -0.101 0.000 2.902 763 T HA 0.693 5.046 4.350 0.006 0.000 0.280 763 T C -1.889 172.755 174.700 -0.094 0.000 0.992 763 T CA -0.899 61.120 62.100 -0.134 0.000 1.015 763 T CB 2.724 71.560 68.868 -0.054 0.000 1.044 763 T HN 0.170 nan 8.240 nan 0.000 0.520 764 P HA 0.291 nan 4.420 nan 0.000 0.249 764 P C -0.522 176.933 177.300 0.258 0.000 1.583 764 P CA -0.386 62.772 63.100 0.095 0.000 0.988 764 P CB -0.147 31.603 31.700 0.082 0.000 1.530 765 L N 0.799 122.134 121.223 0.187 0.000 2.264 765 L HA 0.494 4.838 4.340 0.006 0.000 0.289 765 L C -0.778 176.115 176.870 0.040 0.000 1.044 765 L CA -0.560 54.418 54.840 0.230 0.000 0.807 765 L CB 0.064 42.261 42.059 0.230 0.000 1.192 765 L HN -0.209 nan 8.230 nan 0.000 0.425 766 F N 2.449 122.445 119.950 0.077 0.000 2.450 766 F HA 0.527 5.057 4.527 0.005 0.000 0.332 766 F C 0.597 176.422 175.800 0.042 0.000 1.093 766 F CA -0.419 57.617 58.000 0.059 0.000 1.003 766 F CB 2.037 41.078 39.000 0.070 0.000 1.151 766 F HN 0.320 nan 8.300 nan 0.000 0.474 767 T N 3.297 117.953 114.554 0.171 0.000 2.772 767 T HA 0.522 4.876 4.350 0.006 0.000 0.288 767 T C -0.739 174.025 174.700 0.106 0.000 0.994 767 T CA -0.492 61.672 62.100 0.107 0.000 0.951 767 T CB 0.878 69.776 68.868 0.049 0.000 0.933 767 T HN 0.226 nan 8.240 nan 0.000 0.447 768 V N 5.173 125.124 119.914 0.061 0.000 2.384 768 V HA 0.448 4.571 4.120 0.006 0.000 0.287 768 V C 0.015 176.084 176.094 -0.042 0.000 1.020 768 V CA -0.862 61.441 62.300 0.005 0.000 0.850 768 V CB 1.504 33.270 31.823 -0.094 0.000 0.987 768 V HN 0.711 nan 8.190 nan 0.000 0.436 769 K N 3.371 123.737 120.400 -0.056 0.000 2.221 769 K HA 0.900 5.223 4.320 0.006 0.000 0.258 769 K C -0.503 175.998 176.600 -0.165 0.000 0.944 769 K CA -0.406 55.816 56.287 -0.109 0.000 0.823 769 K CB 2.301 34.734 32.500 -0.112 0.000 1.113 769 K HN 0.841 nan 8.250 nan 0.000 0.431 770 A N 2.146 124.840 122.820 -0.210 0.000 2.612 770 A HA 0.503 4.827 4.320 0.006 0.000 0.293 770 A C -1.950 175.496 177.584 -0.230 0.000 1.075 770 A CA -0.796 51.103 52.037 -0.229 0.000 0.680 770 A CB 0.643 19.575 19.000 -0.113 0.000 1.279 770 A HN 0.535 nan 8.150 nan 0.000 0.411 771 Y N 0.167 120.456 120.300 -0.018 0.000 2.316 771 Y HA 0.572 5.125 4.550 0.006 0.000 0.331 771 Y C -0.027 175.834 175.900 -0.066 0.000 1.083 771 Y CA -0.530 57.550 58.100 -0.034 0.000 1.206 771 Y CB 1.486 39.963 38.460 0.028 0.000 1.195 771 Y HN 0.560 nan 8.280 nan 0.000 0.497 772 L N 6.983 128.248 121.223 0.071 0.000 2.404 772 L HA 0.629 4.972 4.340 0.006 0.000 0.272 772 L C -2.892 173.958 176.870 -0.034 0.000 0.980 772 L CA -2.431 52.393 54.840 -0.028 0.000 0.836 772 L CB 1.788 43.727 42.059 -0.200 0.000 1.238 772 L HN 0.280 nan 8.230 nan 0.000 0.408 773 P HA 0.027 nan 4.420 nan 0.000 0.262 773 P C 0.994 178.250 177.300 -0.073 0.000 1.182 773 P CA -0.031 63.017 63.100 -0.086 0.000 0.761 773 P CB 0.762 32.460 31.700 -0.003 0.000 0.795 774 V N 2.719 122.485 119.914 -0.246 0.000 2.469 774 V HA -0.257 3.867 4.120 0.006 0.000 0.251 774 V C 1.860 178.000 176.094 0.076 0.000 1.064 774 V CA 2.341 64.504 62.300 -0.228 0.000 1.066 774 V CB -1.247 30.239 31.823 -0.562 0.000 0.667 774 V HN 0.674 nan 8.190 nan 0.000 0.461 775 N N 0.033 118.799 118.700 0.111 0.000 2.515 775 N HA -0.100 4.644 4.740 0.006 0.000 0.191 775 N C 1.068 176.752 175.510 0.290 0.000 1.182 775 N CA 0.663 53.885 53.050 0.286 0.000 0.879 775 N CB -0.148 38.479 38.487 0.234 0.000 0.984 775 N HN 0.497 nan 8.380 nan 0.000 0.453 776 E N -0.598 119.733 120.200 0.218 0.000 2.562 776 E HA 0.075 4.428 4.350 0.006 0.000 0.214 776 E C 0.450 177.166 176.600 0.195 0.000 0.979 776 E CA 0.188 56.702 56.400 0.191 0.000 1.002 776 E CB 0.502 30.271 29.700 0.115 0.000 1.048 776 E HN 0.501 nan 8.360 nan 0.000 0.488 777 S N -0.375 115.438 115.700 0.188 0.000 2.556 777 S HA 0.153 4.626 4.470 0.006 0.000 0.216 777 S C 0.515 175.171 174.600 0.093 0.000 0.970 777 S CA -0.503 57.741 58.200 0.073 0.000 0.912 777 S CB -0.460 62.756 63.200 0.027 0.000 0.790 777 S HN -0.044 nan 8.310 nan 0.000 0.504 778 F N 3.051 123.078 119.950 0.129 0.000 2.533 778 F HA 0.480 5.011 4.527 0.005 0.000 0.378 778 F C 1.697 177.561 175.800 0.106 0.000 1.070 778 F CA 0.808 58.872 58.000 0.107 0.000 1.172 778 F CB 0.187 39.239 39.000 0.087 0.000 1.085 778 F HN 0.339 nan 8.300 nan 0.000 0.552 779 G N 3.371 112.289 108.800 0.197 0.000 2.147 779 G HA2 -0.392 3.572 3.960 0.006 0.000 0.244 779 G HA3 -0.392 3.572 3.960 0.006 0.000 0.244 779 G C 0.808 175.774 174.900 0.110 0.000 1.005 779 G CA 0.357 45.533 45.100 0.127 0.000 0.713 779 G HN 0.671 nan 8.290 nan 0.000 0.515 780 F N 1.939 121.881 119.950 -0.014 0.000 2.113 780 F HA -0.053 4.478 4.527 0.007 0.000 0.297 780 F C 2.772 178.535 175.800 -0.060 0.000 1.103 780 F CA 2.788 60.768 58.000 -0.033 0.000 1.248 780 F CB -0.460 38.506 39.000 -0.057 0.000 0.999 780 F HN 0.326 nan 8.300 nan 0.000 0.475 781 T N -2.181 112.293 114.554 -0.134 0.000 2.867 781 T HA -0.022 4.331 4.350 0.006 0.000 0.268 781 T C 2.269 176.839 174.700 -0.216 0.000 1.057 781 T CA 1.058 63.013 62.100 -0.241 0.000 1.136 781 T CB -1.409 67.384 68.868 -0.126 0.000 0.874 781 T HN 0.315 nan 8.240 nan 0.000 0.466 782 G N 1.291 110.009 108.800 -0.137 0.000 2.402 782 G HA2 -0.102 3.862 3.960 0.006 0.000 0.216 782 G HA3 -0.102 3.862 3.960 0.006 0.000 0.216 782 G C 1.562 176.391 174.900 -0.119 0.000 1.162 782 G CA 0.587 45.631 45.100 -0.094 0.000 0.777 782 G HN 0.626 nan 8.290 nan 0.000 0.539 783 E N -0.308 119.799 120.200 -0.156 0.000 2.107 783 E HA -0.026 4.328 4.350 0.006 0.000 0.191 783 E C 2.385 178.851 176.600 -0.223 0.000 0.982 783 E CA 0.397 56.706 56.400 -0.151 0.000 0.809 783 E CB -0.120 29.511 29.700 -0.114 0.000 0.756 783 E HN 0.317 nan 8.360 nan 0.000 0.459 784 L N 1.474 122.457 121.223 -0.401 0.000 2.046 784 L HA -0.157 4.187 4.340 0.006 0.000 0.208 784 L C 2.439 179.177 176.870 -0.219 0.000 1.077 784 L CA 1.613 56.214 54.840 -0.397 0.000 0.747 784 L CB -0.322 41.345 42.059 -0.654 0.000 0.896 784 L HN -0.091 nan 8.230 nan 0.000 0.432 785 R N -0.431 119.958 120.500 -0.186 0.000 2.094 785 R HA -0.269 4.075 4.340 0.006 0.000 0.239 785 R C 2.386 178.642 176.300 -0.073 0.000 1.137 785 R CA 2.114 58.153 56.100 -0.102 0.000 0.943 785 R CB -0.712 29.544 30.300 -0.072 0.000 0.850 785 R HN 0.493 nan 8.270 nan 0.000 0.433 786 Q N -0.224 119.532 119.800 -0.074 0.000 2.135 786 Q HA -0.066 4.277 4.340 0.006 0.000 0.204 786 Q C 1.656 177.629 176.000 -0.044 0.000 0.981 786 Q CA 2.310 58.084 55.803 -0.048 0.000 0.856 786 Q CB -0.381 28.330 28.738 -0.044 0.000 0.902 786 Q HN 0.485 nan 8.270 nan 0.000 0.425 787 A N -1.014 121.768 122.820 -0.063 0.000 2.178 787 A HA 0.076 4.400 4.320 0.006 0.000 0.211 787 A C 1.626 179.187 177.584 -0.038 0.000 1.157 787 A CA 1.082 53.091 52.037 -0.048 0.000 0.780 787 A CB -0.117 18.849 19.000 -0.057 0.000 0.828 787 A HN 0.495 nan 8.150 nan 0.000 0.476 788 T N -5.643 108.884 114.554 -0.045 0.000 3.091 788 T HA 0.424 4.778 4.350 0.006 0.000 0.277 788 T C 1.193 175.883 174.700 -0.016 0.000 0.996 788 T CA 0.944 63.027 62.100 -0.029 0.000 0.897 788 T CB 0.107 68.952 68.868 -0.038 0.000 1.109 788 T HN 1.516 nan 8.240 nan 0.000 0.534 789 G N 1.171 109.960 108.800 -0.018 0.000 2.203 789 G HA2 0.089 4.053 3.960 0.006 0.000 0.263 789 G HA3 0.089 4.053 3.960 0.006 0.000 0.263 789 G C 1.152 176.048 174.900 -0.006 0.000 1.012 789 G CA 0.427 45.522 45.100 -0.008 0.000 0.749 789 G HN 1.859 nan 8.290 nan 0.000 0.512 790 G N -1.814 106.977 108.800 -0.015 0.000 2.143 790 G HA2 -0.278 3.685 3.960 0.006 0.000 0.249 790 G HA3 -0.278 3.685 3.960 0.006 0.000 0.249 790 G C 1.027 175.928 174.900 0.001 0.000 0.981 790 G CA 1.245 46.339 45.100 -0.010 0.000 0.665 790 G HN 0.787 nan 8.290 nan 0.000 0.528 791 Q N -0.378 119.423 119.800 0.001 0.000 2.269 791 Q HA 0.322 4.666 4.340 0.006 0.000 0.201 791 Q C 1.806 177.822 176.000 0.025 0.000 0.946 791 Q CA 1.059 56.868 55.803 0.010 0.000 0.877 791 Q CB -0.016 28.732 28.738 0.017 0.000 0.963 791 Q HN 1.056 nan 8.270 nan 0.000 0.472 792 A N 0.969 123.799 122.820 0.017 0.000 2.425 792 A HA 0.288 4.612 4.320 0.006 0.000 0.249 792 A C -0.806 176.832 177.584 0.090 0.000 1.084 792 A CA -0.121 51.934 52.037 0.031 0.000 0.781 792 A CB -0.062 18.919 19.000 -0.031 0.000 1.019 792 A HN 0.228 nan 8.150 nan 0.000 0.490 793 F N 4.476 124.392 119.950 -0.056 0.000 2.451 793 F HA 0.475 5.005 4.527 0.005 0.000 0.367 793 F C -2.494 173.280 175.800 -0.043 0.000 1.100 793 F CA -2.635 55.331 58.000 -0.056 0.000 1.171 793 F CB 1.475 40.440 39.000 -0.059 0.000 1.405 793 F HN 0.298 nan 8.300 nan 0.000 0.482 794 P HA 0.248 nan 4.420 nan 0.000 0.274 794 P C -1.518 175.557 177.300 -0.374 0.000 1.237 794 P CA -0.166 62.793 63.100 -0.235 0.000 0.793 794 P CB 0.798 32.412 31.700 -0.143 0.000 0.977 795 Q N 1.143 120.801 119.800 -0.235 0.000 2.536 795 Q HA 0.371 4.715 4.340 0.006 0.000 0.231 795 Q C -1.467 174.392 176.000 -0.235 0.000 0.811 795 Q CA -0.221 55.430 55.803 -0.253 0.000 0.966 795 Q CB 0.627 29.258 28.738 -0.179 0.000 1.512 795 Q HN 0.456 nan 8.270 nan 0.000 0.456 796 M N 1.154 120.564 119.600 -0.318 0.000 2.393 796 M HA 0.841 5.324 4.480 0.006 0.000 0.299 796 M C -1.664 174.429 176.300 -0.346 0.000 1.103 796 M CA -1.086 53.995 55.300 -0.364 0.000 0.910 796 M CB 2.273 34.521 32.600 -0.586 0.000 1.659 796 M HN 0.252 nan 8.290 nan 0.000 0.445 797 V N 3.593 123.428 119.914 -0.132 0.000 2.876 797 V HA 0.584 4.707 4.120 0.006 0.000 0.312 797 V C -1.271 174.983 176.094 0.266 0.000 1.085 797 V CA -0.702 61.615 62.300 0.028 0.000 0.945 797 V CB 2.337 34.131 31.823 -0.047 0.000 1.017 797 V HN 0.844 nan 8.190 nan 0.000 0.428 798 F N 4.588 124.653 119.950 0.191 0.000 2.608 798 F HA 0.194 4.725 4.527 0.006 0.000 0.380 798 F C 0.789 176.545 175.800 -0.074 0.000 1.083 798 F CA 1.182 59.167 58.000 -0.024 0.000 1.266 798 F CB 0.963 39.858 39.000 -0.175 0.000 1.076 798 F HN 0.841 nan 8.300 nan 0.000 0.574 799 D N 2.859 122.665 120.400 -0.990 0.000 2.943 799 D HA 0.068 4.711 4.640 0.006 0.000 0.282 799 D C -0.324 175.469 176.300 -0.846 0.000 1.148 799 D CA 0.864 54.492 54.000 -0.619 0.000 1.006 799 D CB 0.262 40.943 40.800 -0.198 0.000 1.168 799 D HN 0.671 nan 8.370 nan 0.000 0.450 800 H N -2.899 115.454 119.070 -1.195 0.000 2.990 800 H HA 0.273 4.832 4.556 0.006 0.000 0.336 800 H C -1.441 173.491 175.328 -0.660 0.000 1.306 800 H CA -1.073 54.527 56.048 -0.747 0.000 1.118 800 H CB -0.265 29.271 29.762 -0.377 0.000 1.856 800 H HN 0.041 nan 8.280 nan 0.000 0.538 801 W N 0.779 122.122 121.300 0.072 0.000 2.381 801 W HA 0.513 5.176 4.660 0.006 0.000 0.329 801 W C 0.326 176.941 176.519 0.160 0.000 1.157 801 W CA -0.609 56.808 57.345 0.120 0.000 1.240 801 W CB 1.779 31.346 29.460 0.179 0.000 1.199 801 W HN 0.506 nan 8.180 nan 0.000 0.579 802 S N 1.445 117.359 115.700 0.358 0.000 2.605 802 S HA 0.423 4.896 4.470 0.006 0.000 0.308 802 S C -0.530 174.202 174.600 0.220 0.000 1.113 802 S CA -0.618 57.730 58.200 0.247 0.000 1.049 802 S CB 0.533 63.833 63.200 0.166 0.000 1.001 802 S HN 0.323 nan 8.310 nan 0.000 0.480 803 T N 5.973 120.628 114.554 0.168 0.000 2.814 803 T HA 0.298 4.652 4.350 0.006 0.000 0.297 803 T C 0.191 174.956 174.700 0.108 0.000 0.956 803 T CA -0.193 61.988 62.100 0.135 0.000 1.123 803 T CB 0.058 68.982 68.868 0.093 0.000 0.902 803 T HN 0.532 nan 8.240 nan 0.000 0.528 804 L N 2.814 124.102 121.223 0.108 0.000 2.380 804 L HA 0.309 4.653 4.340 0.006 0.000 0.273 804 L C 1.838 178.737 176.870 0.049 0.000 1.138 804 L CA -0.471 54.416 54.840 0.079 0.000 0.832 804 L CB 0.462 42.565 42.059 0.074 0.000 1.124 804 L HN 0.861 nan 8.230 nan 0.000 0.454 805 G N 1.698 110.521 108.800 0.038 0.000 2.403 805 G HA2 -0.147 3.816 3.960 0.006 0.000 0.216 805 G HA3 -0.147 3.816 3.960 0.006 0.000 0.216 805 G C 0.854 175.762 174.900 0.013 0.000 1.154 805 G CA 0.378 45.493 45.100 0.024 0.000 0.784 805 G HN 0.683 nan 8.290 nan 0.000 0.538 806 S N 0.262 115.968 115.700 0.011 0.000 2.580 806 S HA 0.205 4.678 4.470 0.006 0.000 0.266 806 S C -0.369 174.225 174.600 -0.010 0.000 1.354 806 S CA -0.395 57.804 58.200 -0.001 0.000 1.008 806 S CB 1.415 64.611 63.200 -0.007 0.000 0.898 806 S HN 0.164 nan 8.310 nan 0.000 0.555 807 D N 1.359 121.750 120.400 -0.015 0.000 2.313 807 D HA 0.310 4.953 4.640 0.006 0.000 0.239 807 D C -1.251 175.028 176.300 -0.035 0.000 1.142 807 D CA -2.521 51.468 54.000 -0.018 0.000 0.847 807 D CB 1.168 41.962 40.800 -0.010 0.000 1.082 807 D HN 0.207 nan 8.370 nan 0.000 0.480 808 P HA -0.112 nan 4.420 nan 0.000 0.225 808 P C 1.281 178.538 177.300 -0.071 0.000 1.148 808 P CA 0.725 63.769 63.100 -0.093 0.000 0.779 808 P CB 0.319 31.967 31.700 -0.088 0.000 0.780 809 L N -0.966 120.241 121.223 -0.026 0.000 2.554 809 L HA 0.119 4.462 4.340 0.006 0.000 0.226 809 L C 0.961 177.822 176.870 -0.014 0.000 1.137 809 L CA 0.288 55.124 54.840 -0.006 0.000 0.863 809 L CB -0.602 41.472 42.059 0.024 0.000 0.985 809 L HN -0.086 nan 8.230 nan 0.000 0.451 810 D N 0.515 120.900 120.400 -0.024 0.000 2.396 810 D HA 0.175 4.818 4.640 0.006 0.000 0.225 810 D C -1.774 174.505 176.300 -0.035 0.000 1.121 810 D CA -2.354 51.633 54.000 -0.022 0.000 0.853 810 D CB 1.701 42.491 40.800 -0.017 0.000 1.043 810 D HN -0.179 nan 8.370 nan 0.000 0.500 811 P HA -0.092 nan 4.420 nan 0.000 0.221 811 P C 1.052 178.332 177.300 -0.034 0.000 1.145 811 P CA 1.197 64.275 63.100 -0.037 0.000 0.795 811 P CB 0.175 31.861 31.700 -0.025 0.000 0.775 812 T N -4.941 109.598 114.554 -0.025 0.000 3.051 812 T HA 0.070 4.423 4.350 0.006 0.000 0.255 812 T C 1.065 175.752 174.700 -0.021 0.000 1.085 812 T CA 0.051 62.139 62.100 -0.020 0.000 1.109 812 T CB -0.765 68.096 68.868 -0.012 0.000 0.921 812 T HN 0.141 nan 8.240 nan 0.000 0.488 813 S N 1.137 116.822 115.700 -0.026 0.000 2.608 813 S HA 0.318 4.791 4.470 0.006 0.000 0.261 813 S C 1.237 175.817 174.600 -0.033 0.000 1.314 813 S CA -0.876 57.310 58.200 -0.024 0.000 0.992 813 S CB 0.899 64.084 63.200 -0.024 0.000 0.935 813 S HN 0.034 nan 8.310 nan 0.000 0.564 814 K N 1.023 121.409 120.400 -0.023 0.000 2.026 814 K HA -0.052 4.272 4.320 0.006 0.000 0.208 814 K C 2.441 179.007 176.600 -0.056 0.000 1.048 814 K CA 1.701 57.975 56.287 -0.022 0.000 0.929 814 K CB -1.435 31.067 32.500 0.003 0.000 0.713 814 K HN 0.776 nan 8.250 nan 0.000 0.439 815 A N 0.799 123.579 122.820 -0.066 0.000 1.873 815 A HA -0.046 4.277 4.320 0.006 0.000 0.215 815 A C 2.494 179.961 177.584 -0.194 0.000 1.186 815 A CA 2.024 53.986 52.037 -0.126 0.000 0.616 815 A CB -1.055 17.892 19.000 -0.088 0.000 0.823 815 A HN 0.381 nan 8.150 nan 0.000 0.442 816 G N -0.520 108.199 108.800 -0.135 0.000 2.408 816 G HA2 -0.243 3.720 3.960 0.006 0.000 0.217 816 G HA3 -0.243 3.720 3.960 0.006 0.000 0.217 816 G C 1.460 176.276 174.900 -0.140 0.000 1.150 816 G CA 1.076 46.093 45.100 -0.138 0.000 0.776 816 G HN 0.674 nan 8.290 nan 0.000 0.542 817 E N 0.185 120.321 120.200 -0.107 0.000 2.085 817 E HA -0.137 4.217 4.350 0.006 0.000 0.194 817 E C 2.448 178.977 176.600 -0.118 0.000 0.994 817 E CA 0.871 57.220 56.400 -0.086 0.000 0.801 817 E CB -0.207 29.460 29.700 -0.054 0.000 0.743 817 E HN 0.527 nan 8.360 nan 0.000 0.453 818 I N 0.493 120.956 120.570 -0.179 0.000 2.179 818 I HA -0.261 3.913 4.170 0.006 0.000 0.242 818 I C 2.457 178.375 176.117 -0.331 0.000 1.088 818 I CA 0.734 61.884 61.300 -0.250 0.000 1.357 818 I CB -0.246 37.517 38.000 -0.395 0.000 1.051 818 I HN 0.071 nan 8.210 nan 0.000 0.409 819 V N 0.875 120.502 119.914 -0.478 0.000 2.255 819 V HA -0.303 3.821 4.120 0.006 0.000 0.247 819 V C 2.454 178.440 176.094 -0.180 0.000 1.051 819 V CA 1.939 63.913 62.300 -0.542 0.000 1.018 819 V CB -0.664 30.859 31.823 -0.499 0.000 0.641 819 V HN 0.368 nan 8.190 nan 0.000 0.445 820 L N 0.942 122.092 121.223 -0.122 0.000 2.012 820 L HA -0.156 4.187 4.340 0.006 0.000 0.210 820 L C 2.449 179.317 176.870 -0.004 0.000 1.073 820 L CA 2.520 57.334 54.840 -0.043 0.000 0.748 820 L CB -1.045 40.989 42.059 -0.042 0.000 0.891 820 L HN 0.237 nan 8.230 nan 0.000 0.431 821 A N -0.605 122.206 122.820 -0.016 0.000 1.908 821 A HA -0.126 4.197 4.320 0.006 0.000 0.218 821 A C 2.443 180.065 177.584 0.064 0.000 1.181 821 A CA 2.029 54.073 52.037 0.013 0.000 0.627 821 A CB -1.194 17.805 19.000 -0.000 0.000 0.818 821 A HN 0.616 nan 8.150 nan 0.000 0.445 822 A N -0.289 122.604 122.820 0.122 0.000 1.898 822 A HA -0.120 4.203 4.320 0.006 0.000 0.216 822 A C 2.242 180.043 177.584 0.362 0.000 1.181 822 A CA 1.378 53.590 52.037 0.292 0.000 0.620 822 A CB -0.448 18.858 19.000 0.511 0.000 0.819 822 A HN 0.547 nan 8.150 nan 0.000 0.442 823 R N -0.106 120.539 120.500 0.242 0.000 2.081 823 R HA -0.118 4.225 4.340 0.006 0.000 0.235 823 R C 2.220 178.610 176.300 0.148 0.000 1.131 823 R CA 1.647 57.866 56.100 0.198 0.000 0.960 823 R CB -0.326 30.043 30.300 0.116 0.000 0.856 823 R HN 0.488 nan 8.270 nan 0.000 0.436 824 K N 0.410 120.865 120.400 0.091 0.000 2.032 824 K HA -0.195 4.128 4.320 0.006 0.000 0.209 824 K C 2.204 178.826 176.600 0.038 0.000 1.048 824 K CA 1.433 57.751 56.287 0.052 0.000 0.927 824 K CB -0.187 32.329 32.500 0.027 0.000 0.712 824 K HN 0.084 nan 8.250 nan 0.000 0.441 825 R N 0.562 121.072 120.500 0.018 0.000 2.152 825 R HA -0.148 4.195 4.340 0.006 0.000 0.232 825 R C 1.159 177.361 176.300 -0.164 0.000 1.117 825 R CA 1.607 57.654 56.100 -0.088 0.000 0.981 825 R CB -0.084 30.128 30.300 -0.147 0.000 0.870 825 R HN 0.347 nan 8.270 nan 0.000 0.451 826 H N -1.706 117.390 119.070 0.043 0.000 2.551 826 H HA 0.265 4.824 4.556 0.006 0.000 0.271 826 H C 0.963 176.309 175.328 0.030 0.000 0.984 826 H CA 0.610 56.681 56.048 0.038 0.000 1.164 826 H CB 1.160 30.949 29.762 0.046 0.000 1.437 826 H HN 0.508 nan 8.280 nan 0.000 0.550 827 G N 0.588 109.453 108.800 0.108 0.000 2.162 827 G HA2 -0.348 3.616 3.960 0.006 0.000 0.260 827 G HA3 -0.348 3.616 3.960 0.006 0.000 0.260 827 G C 0.384 175.329 174.900 0.075 0.000 0.976 827 G CA 0.372 45.515 45.100 0.071 0.000 0.655 827 G HN 0.252 nan 8.290 nan 0.000 0.533 828 M N -0.233 119.428 119.600 0.102 0.000 2.157 828 M HA 0.275 4.759 4.480 0.006 0.000 0.304 828 M C 0.957 177.291 176.300 0.058 0.000 1.171 828 M CA 0.014 55.362 55.300 0.080 0.000 1.157 828 M CB 0.396 33.051 32.600 0.092 0.000 1.403 828 M HN 0.139 nan 8.290 nan 0.000 0.473 829 K N 1.360 121.787 120.400 0.044 0.000 2.416 829 K HA -0.011 4.313 4.320 0.006 0.000 0.283 829 K C 0.453 177.073 176.600 0.034 0.000 1.037 829 K CA 0.082 56.387 56.287 0.030 0.000 0.995 829 K CB 0.595 33.106 32.500 0.018 0.000 0.938 829 K HN 0.604 nan 8.250 nan 0.000 0.475 830 E N 2.399 122.615 120.200 0.025 0.000 2.048 830 E HA -0.226 4.127 4.350 0.006 0.000 0.202 830 E C 0.002 176.612 176.600 0.017 0.000 1.021 830 E CA 1.481 57.894 56.400 0.022 0.000 0.825 830 E CB -0.021 29.686 29.700 0.011 0.000 0.756 830 E HN 0.671 nan 8.360 nan 0.000 0.454 831 E N 1.848 122.055 120.200 0.012 0.000 2.360 831 E HA 0.099 4.453 4.350 0.006 0.000 0.269 831 E C -0.140 176.475 176.600 0.025 0.000 1.022 831 E CA -0.174 56.233 56.400 0.011 0.000 0.887 831 E CB 1.142 30.845 29.700 0.004 0.000 0.990 831 E HN -0.147 nan 8.360 nan 0.000 0.426 832 V N 4.562 124.494 119.914 0.030 0.000 2.585 832 V HA 0.043 4.166 4.120 0.006 0.000 0.296 832 V C -1.800 174.336 176.094 0.071 0.000 1.035 832 V CA -1.037 61.297 62.300 0.056 0.000 1.084 832 V CB -0.023 31.834 31.823 0.056 0.000 0.953 832 V HN 0.656 nan 8.190 nan 0.000 0.483 833 P HA 0.199 nan 4.420 nan 0.000 0.268 833 P C 0.300 177.686 177.300 0.143 0.000 1.205 833 P CA 0.222 63.385 63.100 0.105 0.000 0.771 833 P CB 0.443 32.257 31.700 0.190 0.000 0.858 834 G N 2.344 111.175 108.800 0.053 0.000 2.539 834 G HA2 0.106 4.069 3.960 0.006 0.000 0.258 834 G HA3 0.106 4.069 3.960 0.006 0.000 0.258 834 G C 0.890 175.857 174.900 0.111 0.000 1.202 834 G CA -0.701 44.423 45.100 0.040 0.000 0.851 834 G HN 0.732 nan 8.290 nan 0.000 0.556 835 W N 0.377 121.780 121.300 0.173 0.000 2.392 835 W HA -0.117 4.546 4.660 0.006 0.000 0.279 835 W C 1.345 178.005 176.519 0.236 0.000 1.225 835 W CA 0.800 58.296 57.345 0.252 0.000 1.233 835 W CB -0.557 29.016 29.460 0.188 0.000 1.122 835 W HN 0.529 nan 8.180 nan 0.000 0.561 836 Q N 1.271 120.630 119.800 -0.734 0.000 2.234 836 Q HA -0.197 4.147 4.340 0.006 0.000 0.206 836 Q C 2.037 177.924 176.000 -0.189 0.000 0.980 836 Q CA 2.216 57.626 55.803 -0.655 0.000 0.869 836 Q CB -0.552 27.682 28.738 -0.840 0.000 0.912 836 Q HN 0.482 nan 8.270 nan 0.000 0.436 837 E N -0.895 119.199 120.200 -0.177 0.000 2.110 837 E HA -0.174 4.180 4.350 0.006 0.000 0.193 837 E C 0.814 177.241 176.600 -0.289 0.000 0.988 837 E CA 1.034 57.265 56.400 -0.281 0.000 0.804 837 E CB 0.101 29.536 29.700 -0.442 0.000 0.745 837 E HN 0.524 nan 8.360 nan 0.000 0.458 838 Y N -2.032 118.354 120.300 0.144 0.000 2.497 838 Y HA 0.102 4.656 4.550 0.006 0.000 0.265 838 Y C 0.458 176.464 175.900 0.176 0.000 1.111 838 Y CA -0.379 57.819 58.100 0.164 0.000 1.288 838 Y CB 0.075 38.678 38.460 0.239 0.000 1.082 838 Y HN 0.011 nan 8.280 nan 0.000 0.536 839 Y N 2.175 122.628 120.300 0.256 0.000 2.426 839 Y HA 0.006 4.559 4.550 0.006 0.000 0.344 839 Y C 0.666 176.619 175.900 0.089 0.000 1.256 839 Y CA -0.784 57.448 58.100 0.220 0.000 1.451 839 Y CB 0.338 39.004 38.460 0.342 0.000 1.342 839 Y HN -0.009 nan 8.280 nan 0.000 0.600 840 D N 3.812 124.145 120.400 -0.112 0.000 2.493 840 D HA -0.036 4.607 4.640 0.006 0.000 0.240 840 D C -0.850 175.549 176.300 0.165 0.000 1.142 840 D CA 0.195 54.183 54.000 -0.021 0.000 0.872 840 D CB 0.529 41.238 40.800 -0.152 0.000 1.173 840 D HN 0.248 nan 8.370 nan 0.000 0.467 841 K N 5.040 125.481 120.400 0.067 0.000 2.278 841 K HA 0.281 4.605 4.320 0.006 0.000 0.289 841 K C 0.026 176.653 176.600 0.046 0.000 1.080 841 K CA -0.198 56.117 56.287 0.047 0.000 0.934 841 K CB -0.448 32.050 32.500 -0.004 0.000 1.093 841 K HN 0.522 nan 8.250 nan 0.000 0.459 842 L N 0.000 121.265 121.223 0.070 0.000 2.949 842 L HA 0.000 4.343 4.340 0.006 0.000 0.249 842 L CA 0.000 54.876 54.840 0.060 0.000 0.813 842 L CB 0.000 42.105 42.059 0.077 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502