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 3b8h_1_E 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 0.000 175.964 176.094 -0.217 0.000 1.182 2 V CA 0.000 62.232 62.300 -0.113 0.000 1.235 2 V CB 0.000 31.873 31.823 0.083 0.000 1.184 3 A N 3.367 125.986 122.820 -0.335 0.000 2.309 3 A HA 0.983 5.304 4.320 0.001 0.000 0.298 3 A C -0.976 176.287 177.584 -0.535 0.000 1.165 3 A CA -0.085 51.793 52.037 -0.265 0.000 0.821 3 A CB 0.775 19.682 19.000 -0.154 0.000 1.102 3 A HN 0.562 nan 8.150 nan 0.000 0.500 4 F N -0.311 119.598 119.950 -0.068 0.000 2.631 4 F HA 0.594 5.122 4.527 0.001 0.000 0.328 4 F C 1.047 176.813 175.800 -0.058 0.000 1.067 4 F CA -0.200 57.748 58.000 -0.086 0.000 0.969 4 F CB 2.260 41.185 39.000 -0.124 0.000 1.332 4 F HN 0.670 nan 8.300 nan 0.000 0.490 5 T N -2.048 112.607 114.554 0.168 0.000 2.881 5 T HA 0.337 4.687 4.350 0.001 0.000 0.278 5 T C 0.752 175.490 174.700 0.063 0.000 0.982 5 T CA -0.726 61.419 62.100 0.076 0.000 0.989 5 T CB 1.283 70.177 68.868 0.044 0.000 1.058 5 T HN 0.326 nan 8.240 nan 0.000 0.529 6 V N 0.970 120.904 119.914 0.032 0.000 2.867 6 V HA -0.103 4.018 4.120 0.001 0.000 0.260 6 V C 2.053 178.148 176.094 0.002 0.000 1.099 6 V CA 1.623 63.933 62.300 0.016 0.000 1.122 6 V CB -0.909 30.919 31.823 0.008 0.000 0.708 6 V HN 0.840 nan 8.190 nan 0.000 0.490 7 D N -0.305 120.099 120.400 0.006 0.000 2.149 7 D HA -0.089 4.551 4.640 0.001 0.000 0.206 7 D C 2.315 178.604 176.300 -0.018 0.000 0.967 7 D CA 0.876 54.872 54.000 -0.006 0.000 0.848 7 D CB -0.030 40.770 40.800 0.000 0.000 0.998 7 D HN 0.473 nan 8.370 nan 0.000 0.474 8 Q N -0.056 119.744 119.800 0.000 0.000 2.061 8 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 8 Q C 2.253 178.157 176.000 -0.160 0.000 0.984 8 Q CA 1.152 56.929 55.803 -0.042 0.000 0.846 8 Q CB -0.008 28.790 28.738 0.099 0.000 0.902 8 Q HN 0.233 nan 8.270 nan 0.000 0.421 9 M N -0.115 119.405 119.600 -0.133 0.000 2.117 9 M HA -0.140 4.341 4.480 0.001 0.000 0.262 9 M C 2.183 178.425 176.300 -0.097 0.000 1.065 9 M CA 1.335 56.545 55.300 -0.149 0.000 1.114 9 M CB -0.680 31.875 32.600 -0.075 0.000 1.361 9 M HN 0.071 nan 8.290 nan 0.000 0.408 10 R N 1.440 121.903 120.500 -0.062 0.000 2.082 10 R HA -0.120 4.220 4.340 0.001 0.000 0.234 10 R C 2.351 178.617 176.300 -0.056 0.000 1.136 10 R CA 2.661 58.732 56.100 -0.049 0.000 0.935 10 R CB -1.006 29.274 30.300 -0.033 0.000 0.842 10 R HN 0.486 nan 8.270 nan 0.000 0.430 11 S N 0.025 115.690 115.700 -0.059 0.000 2.419 11 S HA -0.157 4.313 4.470 0.001 0.000 0.235 11 S C 1.891 176.447 174.600 -0.074 0.000 1.019 11 S CA 1.258 59.423 58.200 -0.058 0.000 0.982 11 S CB -0.514 62.655 63.200 -0.051 0.000 0.789 11 S HN 0.328 nan 8.310 nan 0.000 0.490 12 L N 1.131 122.295 121.223 -0.099 0.000 2.131 12 L HA 0.279 4.619 4.340 0.001 0.000 0.206 12 L C 2.434 179.255 176.870 -0.083 0.000 1.087 12 L CA 1.530 56.305 54.840 -0.108 0.000 0.767 12 L CB -0.677 41.288 42.059 -0.157 0.000 0.917 12 L HN 0.297 nan 8.230 nan 0.000 0.441 13 M N -1.022 118.535 119.600 -0.072 0.000 2.279 13 M HA -0.176 4.304 4.480 0.001 0.000 0.264 13 M C 1.523 177.791 176.300 -0.053 0.000 1.062 13 M CA 1.237 56.502 55.300 -0.057 0.000 1.099 13 M CB -0.578 31.991 32.600 -0.051 0.000 1.394 13 M HN 0.212 nan 8.290 nan 0.000 0.426 14 D N 0.983 121.351 120.400 -0.054 0.000 2.144 14 D HA -0.067 4.573 4.640 0.001 0.000 0.200 14 D C 0.614 176.883 176.300 -0.050 0.000 0.978 14 D CA 1.172 55.143 54.000 -0.048 0.000 0.833 14 D CB -0.113 40.661 40.800 -0.044 0.000 0.961 14 D HN 0.176 nan 8.370 nan 0.000 0.470 15 K N 0.894 121.257 120.400 -0.063 0.000 2.199 15 K HA 0.072 4.392 4.320 0.001 0.000 0.226 15 K C 1.099 177.662 176.600 -0.060 0.000 1.237 15 K CA -0.146 56.097 56.287 -0.073 0.000 1.170 15 K CB 0.173 32.606 32.500 -0.112 0.000 1.418 15 K HN -0.127 nan 8.250 nan 0.000 0.255 16 V N 0.212 120.101 119.914 -0.041 0.000 2.490 16 V HA -0.262 3.858 4.120 0.001 0.000 0.250 16 V C 2.098 178.189 176.094 -0.005 0.000 1.061 16 V CA 2.225 64.510 62.300 -0.025 0.000 1.064 16 V CB -0.920 30.888 31.823 -0.025 0.000 0.670 16 V HN 0.760 nan 8.190 nan 0.000 0.461 17 T N -2.128 112.421 114.554 -0.008 0.000 3.098 17 T HA -0.088 4.262 4.350 0.001 0.000 0.266 17 T C 1.143 175.877 174.700 0.056 0.000 1.145 17 T CA 1.404 63.517 62.100 0.022 0.000 1.092 17 T CB -0.435 68.439 68.868 0.011 0.000 0.908 17 T HN 0.457 nan 8.240 nan 0.000 0.526 18 N N 0.342 119.037 118.700 -0.008 0.000 2.234 18 N HA 0.307 5.048 4.740 0.001 0.000 0.227 18 N C -0.937 174.648 175.510 0.125 0.000 1.151 18 N CA -0.160 52.868 53.050 -0.036 0.000 0.865 18 N CB 1.005 39.202 38.487 -0.485 0.000 1.066 18 N HN 0.267 nan 8.380 nan 0.000 0.515 19 V N 1.199 121.173 119.914 0.100 0.000 2.472 19 V HA 0.470 4.591 4.120 0.001 0.000 0.290 19 V C 0.046 176.198 176.094 0.097 0.000 1.037 19 V CA -0.701 61.649 62.300 0.083 0.000 0.908 19 V CB 1.699 33.535 31.823 0.023 0.000 0.985 19 V HN 0.057 nan 8.190 nan 0.000 0.454 20 R N 3.451 124.003 120.500 0.087 0.000 2.412 20 R HA 0.421 4.761 4.340 0.001 0.000 0.304 20 R C -1.013 175.314 176.300 0.044 0.000 1.066 20 R CA -0.551 55.585 56.100 0.060 0.000 0.923 20 R CB 1.127 31.455 30.300 0.047 0.000 1.156 20 R HN 0.618 nan 8.270 nan 0.000 0.513 21 N N 4.133 122.854 118.700 0.035 0.000 2.426 21 N HA 0.510 5.251 4.740 0.001 0.000 0.275 21 N C 0.054 175.589 175.510 0.042 0.000 1.019 21 N CA -0.384 52.688 53.050 0.037 0.000 0.941 21 N CB 1.548 40.046 38.487 0.019 0.000 1.123 21 N HN 0.368 nan 8.380 nan 0.000 0.486 22 M N -1.151 118.478 119.600 0.048 0.000 2.833 22 M HA 0.538 5.018 4.480 0.001 0.000 0.270 22 M C -0.664 175.662 176.300 0.044 0.000 1.209 22 M CA -0.886 54.439 55.300 0.041 0.000 0.826 22 M CB 1.153 33.767 32.600 0.024 0.000 1.657 22 M HN 0.172 nan 8.290 nan 0.000 0.492 23 S N -0.491 115.230 115.700 0.034 0.000 2.740 23 S HA 0.975 5.446 4.470 0.001 0.000 0.300 23 S C -1.666 172.941 174.600 0.011 0.000 1.147 23 S CA -0.642 57.576 58.200 0.029 0.000 0.871 23 S CB 1.929 65.152 63.200 0.039 0.000 1.173 23 S HN 0.847 nan 8.310 nan 0.000 0.510 24 V N 2.842 122.759 119.914 0.006 0.000 2.326 24 V HA 0.460 4.580 4.120 0.001 0.000 0.281 24 V C -0.558 175.538 176.094 0.003 0.000 1.015 24 V CA -0.449 61.850 62.300 -0.002 0.000 0.823 24 V CB 0.839 32.658 31.823 -0.007 0.000 1.009 24 V HN 0.688 nan 8.190 nan 0.000 0.436 25 I N 4.923 125.495 120.570 0.003 0.000 2.308 25 I HA 0.663 4.833 4.170 0.001 0.000 0.293 25 I C 0.464 176.599 176.117 0.029 0.000 1.078 25 I CA 0.277 61.585 61.300 0.013 0.000 1.292 25 I CB 0.629 38.634 38.000 0.007 0.000 1.423 25 I HN 0.730 nan 8.210 nan 0.000 0.493 26 A N 5.498 128.344 122.820 0.043 0.000 2.582 26 A HA 0.322 4.642 4.320 0.001 0.000 0.297 26 A C -0.972 176.658 177.584 0.076 0.000 1.059 26 A CA -0.675 51.418 52.037 0.092 0.000 0.705 26 A CB 1.063 20.112 19.000 0.082 0.000 1.279 26 A HN 0.672 nan 8.150 nan 0.000 0.404 27 H N 2.089 121.164 119.070 0.008 0.000 2.848 27 H HA 0.199 4.755 4.556 0.001 0.000 0.341 27 H C 1.758 176.971 175.328 -0.191 0.000 1.060 27 H CA 1.317 57.260 56.048 -0.175 0.000 1.444 27 H CB 1.560 31.041 29.762 -0.469 0.000 1.446 27 H HN 0.969 nan 8.280 nan 0.000 0.583 28 V N 1.597 121.358 119.914 -0.256 0.000 2.688 28 V HA -0.163 3.957 4.120 0.001 0.000 0.256 28 V C 0.913 177.041 176.094 0.056 0.000 1.084 28 V CA 1.988 64.233 62.300 -0.092 0.000 1.103 28 V CB -0.105 31.615 31.823 -0.172 0.000 0.688 28 V HN 0.612 nan 8.190 nan 0.000 0.480 29 D N -0.521 120.022 120.400 0.239 0.000 2.358 29 D HA 0.106 4.747 4.640 0.001 0.000 0.224 29 D C 0.658 176.969 176.300 0.019 0.000 1.123 29 D CA 0.220 54.257 54.000 0.062 0.000 0.833 29 D CB -0.085 40.703 40.800 -0.020 0.000 0.946 29 D HN 0.599 nan 8.370 nan 0.000 0.505 30 H N -0.445 118.689 119.070 0.107 0.000 2.469 30 H HA 0.306 4.862 4.556 0.001 0.000 0.286 30 H C 1.372 176.717 175.328 0.029 0.000 1.106 30 H CA -0.243 55.833 56.048 0.046 0.000 1.055 30 H CB 0.499 30.288 29.762 0.043 0.000 1.618 30 H HN 0.110 nan 8.280 nan 0.000 0.559 31 G N 1.781 110.659 108.800 0.130 0.000 2.221 31 G HA2 -0.388 3.573 3.960 0.001 0.000 0.265 31 G HA3 -0.388 3.573 3.960 0.001 0.000 0.265 31 G C 1.423 176.352 174.900 0.048 0.000 1.041 31 G CA 0.845 45.988 45.100 0.071 0.000 0.807 31 G HN 0.485 nan 8.290 nan 0.000 0.502 32 K N 0.546 120.979 120.400 0.055 0.000 2.026 32 K HA -0.144 4.177 4.320 0.001 0.000 0.208 32 K C 2.862 179.467 176.600 0.008 0.000 1.048 32 K CA 2.254 58.558 56.287 0.028 0.000 0.929 32 K CB -0.314 32.199 32.500 0.021 0.000 0.713 32 K HN 0.709 nan 8.250 nan 0.000 0.439 33 S N -0.392 115.313 115.700 0.007 0.000 2.387 33 S HA -0.085 4.386 4.470 0.001 0.000 0.226 33 S C 1.894 176.497 174.600 0.005 0.000 1.026 33 S CA 1.533 59.733 58.200 -0.000 0.000 0.972 33 S CB -0.555 62.643 63.200 -0.003 0.000 0.814 33 S HN 0.336 nan 8.310 nan 0.000 0.477 34 T N 2.458 117.020 114.554 0.013 0.000 2.995 34 T HA 0.243 4.594 4.350 0.001 0.000 0.269 34 T C 1.598 176.302 174.700 0.007 0.000 1.091 34 T CA 0.741 62.851 62.100 0.016 0.000 1.128 34 T CB -0.302 68.582 68.868 0.027 0.000 0.891 34 T HN 0.283 nan 8.240 nan 0.000 0.492 35 L N 1.290 122.511 121.223 -0.003 0.000 2.209 35 L HA -0.018 4.322 4.340 0.001 0.000 0.207 35 L C 3.035 179.898 176.870 -0.013 0.000 1.094 35 L CA 1.288 56.117 54.840 -0.019 0.000 0.790 35 L CB -0.782 41.256 42.059 -0.035 0.000 0.932 35 L HN 0.422 nan 8.230 nan 0.000 0.447 36 T N -4.204 110.346 114.554 -0.007 0.000 2.857 36 T HA -0.141 4.209 4.350 0.001 0.000 0.266 36 T C 1.423 176.126 174.700 0.004 0.000 1.048 36 T CA 0.959 63.057 62.100 -0.004 0.000 1.139 36 T CB -0.308 68.556 68.868 -0.007 0.000 0.874 36 T HN 0.152 nan 8.240 nan 0.000 0.455 37 D N 1.146 121.550 120.400 0.006 0.000 2.263 37 D HA -0.036 4.605 4.640 0.001 0.000 0.208 37 D C 2.236 178.549 176.300 0.021 0.000 0.971 37 D CA 0.835 54.843 54.000 0.014 0.000 0.867 37 D CB -0.308 40.501 40.800 0.014 0.000 0.929 37 D HN 0.454 nan 8.370 nan 0.000 0.492 38 S N -0.050 115.660 115.700 0.018 0.000 2.345 38 S HA -0.084 4.387 4.470 0.001 0.000 0.219 38 S C 1.861 176.477 174.600 0.025 0.000 1.031 38 S CA 0.482 58.696 58.200 0.023 0.000 0.984 38 S CB -0.024 63.185 63.200 0.014 0.000 0.874 38 S HN 0.047 nan 8.310 nan 0.000 0.451 39 L N 1.314 122.548 121.223 0.018 0.000 2.362 39 L HA 0.070 4.411 4.340 0.001 0.000 0.219 39 L C 2.120 179.014 176.870 0.040 0.000 1.134 39 L CA 0.703 55.557 54.840 0.023 0.000 0.807 39 L CB -0.493 41.573 42.059 0.012 0.000 0.927 39 L HN 0.197 nan 8.230 nan 0.000 0.447 40 V N -1.326 118.611 119.914 0.037 0.000 2.535 40 V HA -0.160 3.961 4.120 0.001 0.000 0.246 40 V C 1.908 178.034 176.094 0.054 0.000 1.045 40 V CA 1.060 63.389 62.300 0.047 0.000 1.058 40 V CB -0.389 31.455 31.823 0.035 0.000 0.689 40 V HN 0.466 nan 8.190 nan 0.000 0.461 41 Q N -0.527 119.301 119.800 0.046 0.000 2.329 41 Q HA 0.024 4.364 4.340 0.001 0.000 0.208 41 Q C 1.860 177.892 176.000 0.053 0.000 0.934 41 Q CA 0.272 56.104 55.803 0.048 0.000 0.951 41 Q CB 0.230 28.994 28.738 0.043 0.000 1.017 41 Q HN 0.406 nan 8.270 nan 0.000 0.490 42 R N -0.588 119.948 120.500 0.059 0.000 2.977 42 R HA 0.225 4.565 4.340 0.001 0.000 0.161 42 R C 0.723 177.075 176.300 0.087 0.000 0.805 42 R CA 1.091 57.229 56.100 0.063 0.000 1.044 42 R CB -0.298 30.032 30.300 0.049 0.000 1.433 42 R HN -0.010 nan 8.270 nan 0.000 0.570 43 A N 0.502 123.379 122.820 0.095 0.000 2.465 43 A HA 0.472 4.792 4.320 0.001 0.000 0.255 43 A C 0.627 178.311 177.584 0.167 0.000 1.274 43 A CA 0.014 52.136 52.037 0.143 0.000 0.920 43 A CB -0.204 18.864 19.000 0.114 0.000 1.033 43 A HN 0.351 nan 8.150 nan 0.000 0.516 44 G N 0.624 109.500 108.800 0.127 0.000 2.225 44 G HA2 0.378 4.339 3.960 0.001 0.000 0.245 44 G HA3 0.378 4.339 3.960 0.001 0.000 0.245 44 G C -0.167 174.826 174.900 0.154 0.000 1.249 44 G CA 0.192 45.365 45.100 0.122 0.000 0.919 44 G HN 0.153 nan 8.290 nan 0.000 0.486 45 I N 3.544 124.214 120.570 0.167 0.000 2.328 45 I HA 0.326 4.496 4.170 0.001 0.000 0.287 45 I C 0.136 176.352 176.117 0.165 0.000 1.012 45 I CA -0.979 60.444 61.300 0.206 0.000 1.195 45 I CB 0.921 39.057 38.000 0.226 0.000 1.350 45 I HN 0.209 nan 8.210 nan 0.000 0.464 46 I N 4.669 125.319 120.570 0.133 0.000 2.793 46 I HA 0.411 4.582 4.170 0.001 0.000 0.313 46 I C 0.956 177.125 176.117 0.087 0.000 0.998 46 I CA -0.234 61.126 61.300 0.100 0.000 1.140 46 I CB 1.366 39.395 38.000 0.049 0.000 1.327 46 I HN 0.612 nan 8.210 nan 0.000 0.491 47 S N 1.958 117.693 115.700 0.059 0.000 2.713 47 S HA 0.915 5.385 4.470 0.001 0.000 0.277 47 S C -0.207 174.386 174.600 -0.012 0.000 1.168 47 S CA -0.458 57.765 58.200 0.040 0.000 0.994 47 S CB 1.426 64.647 63.200 0.034 0.000 1.054 47 S HN 0.867 nan 8.310 nan 0.000 0.555 68 I N 2.734 123.372 120.570 0.114 0.000 2.545 68 I HA 0.510 4.681 4.170 0.001 0.000 0.292 68 I C -0.220 175.992 176.117 0.159 0.000 1.040 68 I CA -0.596 60.774 61.300 0.116 0.000 1.068 68 I CB 1.324 39.413 38.000 0.149 0.000 1.251 68 I HN 0.183 nan 8.210 nan 0.000 0.424 69 T N 4.728 119.338 114.554 0.094 0.000 2.823 69 T HA 0.848 5.199 4.350 0.001 0.000 0.279 69 T C -0.181 174.495 174.700 -0.041 0.000 0.998 69 T CA -0.639 61.499 62.100 0.064 0.000 0.994 69 T CB 1.941 70.840 68.868 0.051 0.000 0.960 69 T HN 0.525 nan 8.240 nan 0.000 0.448 70 I N -0.786 119.743 120.570 -0.068 0.000 3.133 70 I HA 0.664 4.835 4.170 0.001 0.000 0.311 70 I C -0.316 175.728 176.117 -0.121 0.000 1.072 70 I CA -1.524 59.719 61.300 -0.094 0.000 1.015 70 I CB 1.902 39.888 38.000 -0.025 0.000 1.233 70 I HN 0.510 nan 8.210 nan 0.000 0.473 71 K N 2.600 122.938 120.400 -0.105 0.000 2.285 71 K HA 0.236 4.556 4.320 0.001 0.000 0.286 71 K C -0.560 175.963 176.600 -0.129 0.000 1.072 71 K CA -0.068 56.154 56.287 -0.108 0.000 0.913 71 K CB 0.875 33.328 32.500 -0.078 0.000 1.067 71 K HN 0.788 nan 8.250 nan 0.000 0.479 72 S N 3.473 119.086 115.700 -0.145 0.000 2.737 72 S HA -0.035 4.435 4.470 0.001 0.000 0.315 72 S C 0.701 175.199 174.600 -0.170 0.000 1.236 72 S CA 0.202 58.311 58.200 -0.152 0.000 1.093 72 S CB 0.366 63.483 63.200 -0.139 0.000 0.832 72 S HN 0.704 nan 8.310 nan 0.000 0.507 73 T N 1.573 115.995 114.554 -0.220 0.000 2.964 73 T HA 0.466 4.816 4.350 0.001 0.000 0.250 73 T C 0.328 174.836 174.700 -0.320 0.000 0.982 73 T CA 0.436 62.326 62.100 -0.349 0.000 0.959 73 T CB 0.484 68.975 68.868 -0.628 0.000 1.141 73 T HN 0.717 nan 8.240 nan 0.000 0.494 74 A N 1.186 123.889 122.820 -0.196 0.000 2.520 74 A HA 0.723 5.043 4.320 0.001 0.000 0.298 74 A C -1.756 175.830 177.584 0.003 0.000 1.051 74 A CA -0.626 51.380 52.037 -0.052 0.000 0.690 74 A CB 1.276 20.324 19.000 0.080 0.000 1.281 74 A HN 0.156 nan 8.150 nan 0.000 0.402 75 I N 1.294 121.880 120.570 0.027 0.000 2.474 75 I HA 0.430 4.600 4.170 0.001 0.000 0.294 75 I C 0.092 176.250 176.117 0.068 0.000 1.005 75 I CA -0.392 60.933 61.300 0.042 0.000 1.113 75 I CB 1.838 39.855 38.000 0.028 0.000 1.289 75 I HN 0.564 nan 8.210 nan 0.000 0.436 76 S N 6.329 122.080 115.700 0.084 0.000 2.452 76 S HA 0.651 5.121 4.470 0.001 0.000 0.284 76 S C -0.321 174.349 174.600 0.117 0.000 1.171 76 S CA -0.481 57.777 58.200 0.096 0.000 1.064 76 S CB 0.864 64.122 63.200 0.096 0.000 0.967 76 S HN 0.241 nan 8.310 nan 0.000 0.484 77 L N 3.466 124.760 121.223 0.119 0.000 2.346 77 L HA 0.538 4.879 4.340 0.001 0.000 0.274 77 L C -0.736 176.254 176.870 0.201 0.000 1.007 77 L CA -0.629 54.297 54.840 0.143 0.000 0.818 77 L CB 0.952 43.066 42.059 0.093 0.000 1.284 77 L HN 0.668 nan 8.230 nan 0.000 0.424 78 Y N 1.708 122.064 120.300 0.094 0.000 2.350 78 Y HA 0.735 5.285 4.550 0.001 0.000 0.338 78 Y C -0.463 175.505 175.900 0.113 0.000 0.961 78 Y CA -0.369 57.790 58.100 0.098 0.000 1.100 78 Y CB 1.946 40.495 38.460 0.147 0.000 1.179 78 Y HN 0.583 nan 8.280 nan 0.000 0.454 79 S N 4.953 120.375 115.700 -0.464 0.000 2.540 79 S HA 0.424 4.895 4.470 0.001 0.000 0.275 79 S C -1.755 172.608 174.600 -0.395 0.000 1.123 79 S CA -0.726 57.264 58.200 -0.350 0.000 0.907 79 S CB 1.229 64.354 63.200 -0.125 0.000 1.081 79 S HN 0.820 nan 8.310 nan 0.000 0.476 80 E N 4.670 124.709 120.200 -0.267 0.000 2.210 80 E HA 0.496 4.846 4.350 0.001 0.000 0.266 80 E C -0.590 176.018 176.600 0.014 0.000 0.883 80 E CA -0.740 55.593 56.400 -0.112 0.000 0.761 80 E CB 0.861 30.500 29.700 -0.102 0.000 1.156 80 E HN 0.551 nan 8.360 nan 0.000 0.412 81 M N 1.238 120.907 119.600 0.115 0.000 2.734 81 M HA 0.398 4.878 4.480 0.001 0.000 0.264 81 M C 0.393 176.731 176.300 0.064 0.000 1.080 81 M CA -0.785 54.566 55.300 0.086 0.000 0.981 81 M CB 0.768 33.452 32.600 0.140 0.000 1.514 81 M HN 0.608 nan 8.290 nan 0.000 0.569 82 S N -1.124 114.603 115.700 0.045 0.000 2.704 82 S HA 0.393 4.863 4.470 0.001 0.000 0.305 82 S C -0.072 174.549 174.600 0.034 0.000 1.107 82 S CA -0.658 57.561 58.200 0.031 0.000 0.993 82 S CB 1.162 64.371 63.200 0.015 0.000 1.110 82 S HN 0.533 nan 8.310 nan 0.000 0.534 83 D N 0.608 121.022 120.400 0.023 0.000 2.309 83 D HA -0.022 4.618 4.640 0.001 0.000 0.212 83 D C 1.399 177.709 176.300 0.017 0.000 0.968 83 D CA 0.995 55.007 54.000 0.020 0.000 0.882 83 D CB 0.077 40.884 40.800 0.012 0.000 0.918 83 D HN 0.525 nan 8.370 nan 0.000 0.503 84 E N 0.236 120.444 120.200 0.013 0.000 2.166 84 E HA -0.038 4.312 4.350 0.001 0.000 0.192 84 E C 1.265 177.866 176.600 0.002 0.000 0.967 84 E CA 0.498 56.901 56.400 0.006 0.000 0.840 84 E CB -0.041 29.659 29.700 0.001 0.000 0.795 84 E HN 0.337 nan 8.360 nan 0.000 0.470 85 D N 0.796 121.199 120.400 0.004 0.000 2.224 85 D HA -0.069 4.572 4.640 0.001 0.000 0.205 85 D C 1.907 178.211 176.300 0.007 0.000 0.965 85 D CA 0.514 54.507 54.000 -0.011 0.000 0.852 85 D CB 0.227 41.016 40.800 -0.019 0.000 0.947 85 D HN -0.008 nan 8.370 nan 0.000 0.494 86 V N 0.998 120.943 119.914 0.053 0.000 2.970 86 V HA -0.094 4.026 4.120 0.001 0.000 0.260 86 V C 2.154 178.278 176.094 0.050 0.000 1.100 86 V CA 1.036 63.393 62.300 0.095 0.000 1.122 86 V CB -0.170 31.717 31.823 0.105 0.000 0.721 86 V HN 0.038 nan 8.190 nan 0.000 0.483 87 K N -0.077 120.337 120.400 0.022 0.000 2.323 87 K HA 0.075 4.396 4.320 0.001 0.000 0.197 87 K C 1.935 178.534 176.600 -0.002 0.000 1.043 87 K CA 0.442 56.736 56.287 0.011 0.000 0.997 87 K CB 0.218 32.722 32.500 0.007 0.000 0.807 87 K HN 0.563 nan 8.250 nan 0.000 0.497 88 E N 0.665 120.855 120.200 -0.015 0.000 2.046 88 E HA -0.008 4.342 4.350 0.001 0.000 0.190 88 E C 0.415 176.989 176.600 -0.044 0.000 0.982 88 E CA 0.289 56.669 56.400 -0.033 0.000 0.800 88 E CB -0.014 29.655 29.700 -0.051 0.000 0.756 88 E HN 0.178 nan 8.360 nan 0.000 0.449 89 I N 3.238 123.773 120.570 -0.059 0.000 2.872 89 I HA -0.110 4.060 4.170 0.001 0.000 0.287 89 I C 1.432 177.537 176.117 -0.020 0.000 1.197 89 I CA -0.099 61.162 61.300 -0.067 0.000 1.390 89 I CB 0.234 38.191 38.000 -0.071 0.000 1.400 89 I HN -0.038 nan 8.210 nan 0.000 0.544 90 K N 5.542 125.933 120.400 -0.015 0.000 2.286 90 K HA -0.180 4.140 4.320 0.001 0.000 0.203 90 K C 0.924 177.533 176.600 0.015 0.000 1.045 90 K CA 1.242 57.532 56.287 0.004 0.000 0.935 90 K CB -0.049 32.458 32.500 0.011 0.000 0.737 90 K HN 0.658 nan 8.250 nan 0.000 0.460 91 Q N 0.951 120.762 119.800 0.018 0.000 2.394 91 Q HA 0.003 4.343 4.340 0.001 0.000 0.248 91 Q C -0.796 175.228 176.000 0.041 0.000 0.992 91 Q CA -0.257 55.567 55.803 0.035 0.000 0.888 91 Q CB 0.674 29.437 28.738 0.042 0.000 1.257 91 Q HN 0.073 nan 8.270 nan 0.000 0.462 92 K N 2.393 122.819 120.400 0.043 0.000 2.349 92 K HA 0.128 4.448 4.320 0.001 0.000 0.289 92 K C -0.870 175.760 176.600 0.050 0.000 1.064 92 K CA 0.078 56.388 56.287 0.038 0.000 0.947 92 K CB 0.344 32.861 32.500 0.029 0.000 1.007 92 K HN 0.712 nan 8.250 nan 0.000 0.478 93 T N 0.358 114.944 114.554 0.054 0.000 2.883 93 T HA 0.387 4.737 4.350 0.001 0.000 0.284 93 T C -1.055 173.647 174.700 0.003 0.000 1.041 93 T CA -0.930 61.206 62.100 0.060 0.000 1.007 93 T CB 1.655 70.617 68.868 0.156 0.000 1.220 93 T HN 0.527 nan 8.240 nan 0.000 0.552 94 D N -1.107 119.261 120.400 -0.054 0.000 2.318 94 D HA 0.525 5.166 4.640 0.001 0.000 0.233 94 D C 0.131 176.340 176.300 -0.151 0.000 1.348 94 D CA 0.974 54.927 54.000 -0.079 0.000 0.983 94 D CB 0.445 41.207 40.800 -0.063 0.000 1.416 94 D HN 1.230 nan 8.370 nan 0.000 0.558 95 G N 2.777 111.496 108.800 -0.134 0.000 2.483 95 G HA2 -0.149 3.811 3.960 0.001 0.000 0.521 95 G HA3 -0.149 3.811 3.960 0.001 0.000 0.521 95 G C -0.011 174.757 174.900 -0.220 0.000 1.278 95 G CA -0.368 44.634 45.100 -0.164 0.000 0.965 95 G HN 0.403 nan 8.290 nan 0.000 0.504 96 N N -0.435 118.145 118.700 -0.200 0.000 2.181 96 N HA 0.199 4.939 4.740 0.001 0.000 0.207 96 N C 0.268 175.649 175.510 -0.215 0.000 1.182 96 N CA 0.542 53.513 53.050 -0.133 0.000 0.893 96 N CB 0.992 39.472 38.487 -0.012 0.000 1.032 96 N HN 0.467 nan 8.380 nan 0.000 0.513 97 S N 0.900 116.410 115.700 -0.315 0.000 2.457 97 S HA 0.482 4.952 4.470 0.001 0.000 0.289 97 S C -0.645 173.679 174.600 -0.461 0.000 1.163 97 S CA -0.330 57.740 58.200 -0.216 0.000 1.078 97 S CB 0.486 63.755 63.200 0.115 0.000 0.987 97 S HN 0.040 nan 8.310 nan 0.000 0.482 98 F N 2.395 122.257 119.950 -0.146 0.000 2.477 98 F HA 0.433 4.960 4.527 0.001 0.000 0.335 98 F C -0.171 175.609 175.800 -0.033 0.000 1.130 98 F CA -0.961 56.988 58.000 -0.086 0.000 0.948 98 F CB 1.143 40.077 39.000 -0.109 0.000 1.154 98 F HN 0.340 nan 8.300 nan 0.000 0.439 99 L N 5.262 126.573 121.223 0.147 0.000 2.349 99 L HA 0.523 4.863 4.340 0.001 0.000 0.275 99 L C -0.656 176.281 176.870 0.111 0.000 1.115 99 L CA 0.024 54.931 54.840 0.112 0.000 0.820 99 L CB 0.363 42.452 42.059 0.049 0.000 1.135 99 L HN 0.464 nan 8.230 nan 0.000 0.445 100 I N 5.459 126.086 120.570 0.096 0.000 2.448 100 I HA 0.290 4.460 4.170 0.001 0.000 0.281 100 I C -0.527 175.632 176.117 0.070 0.000 1.027 100 I CA -0.427 60.917 61.300 0.074 0.000 1.111 100 I CB 0.873 38.910 38.000 0.063 0.000 1.236 100 I HN 0.577 nan 8.210 nan 0.000 0.452 101 N N 6.449 125.187 118.700 0.064 0.000 2.408 101 N HA 0.201 4.941 4.740 0.001 0.000 0.257 101 N C -0.724 174.830 175.510 0.074 0.000 1.064 101 N CA -0.549 52.547 53.050 0.076 0.000 0.952 101 N CB 2.228 40.762 38.487 0.078 0.000 1.093 101 N HN 0.323 nan 8.380 nan 0.000 0.490 102 L N 5.318 126.583 121.223 0.070 0.000 2.353 102 L HA 0.381 4.721 4.340 0.001 0.000 0.269 102 L C -0.818 176.080 176.870 0.047 0.000 1.085 102 L CA -0.611 54.258 54.840 0.049 0.000 0.938 102 L CB -0.096 41.982 42.059 0.031 0.000 1.312 102 L HN 0.334 nan 8.230 nan 0.000 0.429 103 I N 3.446 124.059 120.570 0.073 0.000 2.505 103 I HA 0.062 4.233 4.170 0.001 0.000 0.287 103 I C 0.658 176.780 176.117 0.008 0.000 1.104 103 I CA 0.195 61.540 61.300 0.074 0.000 1.387 103 I CB 0.080 38.172 38.000 0.153 0.000 1.404 103 I HN 0.533 nan 8.210 nan 0.000 0.528 104 D N 4.341 124.706 120.400 -0.059 0.000 2.449 104 D HA 0.097 4.738 4.640 0.001 0.000 0.236 104 D C -0.178 176.090 176.300 -0.052 0.000 1.149 104 D CA 0.501 54.458 54.000 -0.073 0.000 0.878 104 D CB 0.702 41.428 40.800 -0.124 0.000 1.198 104 D HN 0.450 nan 8.370 nan 0.000 0.446 105 S N 1.956 117.626 115.700 -0.051 0.000 2.513 105 S HA 0.645 5.115 4.470 0.001 0.000 0.299 105 S C -2.582 171.968 174.600 -0.083 0.000 1.087 105 S CA -1.467 56.709 58.200 -0.041 0.000 1.012 105 S CB 1.123 64.315 63.200 -0.012 0.000 1.044 105 S HN 0.268 nan 8.310 nan 0.000 0.485 106 P HA 0.223 nan 4.420 nan 0.000 0.270 106 P C 0.822 178.059 177.300 -0.106 0.000 1.227 106 P CA -0.175 62.788 63.100 -0.227 0.000 0.788 106 P CB 0.237 31.787 31.700 -0.250 0.000 0.926 107 G N -0.435 108.313 108.800 -0.087 0.000 2.439 107 G HA2 -0.053 3.908 3.960 0.001 0.000 0.212 107 G HA3 -0.053 3.908 3.960 0.001 0.000 0.212 107 G C -0.083 174.843 174.900 0.042 0.000 1.199 107 G CA 0.543 45.645 45.100 0.002 0.000 0.807 107 G HN 0.529 nan 8.290 nan 0.000 0.537 108 H N -1.006 118.227 119.070 0.273 0.000 2.562 108 H HA 0.395 4.951 4.556 0.001 0.000 0.352 108 H C 1.089 176.605 175.328 0.313 0.000 1.125 108 H CA -0.508 55.691 56.048 0.251 0.000 1.379 108 H CB 2.102 31.995 29.762 0.220 0.000 1.464 108 H HN -0.092 nan 8.280 nan 0.000 0.563 109 V N 1.397 121.449 119.914 0.230 0.000 3.461 109 V HA -0.116 4.004 4.120 0.001 0.000 0.267 109 V C 0.915 177.102 176.094 0.156 0.000 1.186 109 V CA 0.931 63.345 62.300 0.191 0.000 1.154 109 V CB -0.288 31.604 31.823 0.116 0.000 0.802 109 V HN 0.770 nan 8.190 nan 0.000 0.474 110 D N 0.614 121.062 120.400 0.079 0.000 2.351 110 D HA -0.112 4.529 4.640 0.001 0.000 0.216 110 D C 1.124 177.302 176.300 -0.203 0.000 0.968 110 D CA 1.053 54.983 54.000 -0.117 0.000 0.899 110 D CB -0.135 40.515 40.800 -0.249 0.000 0.907 110 D HN 0.501 nan 8.370 nan 0.000 0.514 111 F N 0.958 120.961 119.950 0.087 0.000 2.757 111 F HA 0.107 4.635 4.527 0.001 0.000 0.292 111 F C 1.955 177.821 175.800 0.110 0.000 1.204 111 F CA -0.314 57.742 58.000 0.094 0.000 1.417 111 F CB -0.297 38.763 39.000 0.101 0.000 1.001 111 F HN -0.223 nan 8.300 nan 0.000 0.508 112 S N 0.333 116.148 115.700 0.192 0.000 2.406 112 S HA -0.360 4.110 4.470 0.001 0.000 0.242 112 S C 2.424 177.167 174.600 0.238 0.000 1.079 112 S CA 2.200 60.523 58.200 0.205 0.000 1.133 112 S CB -0.756 62.467 63.200 0.038 0.000 1.005 112 S HN 0.670 nan 8.310 nan 0.000 0.443 113 S N 2.901 118.711 115.700 0.183 0.000 2.378 113 S HA -0.279 4.191 4.470 0.001 0.000 0.221 113 S C 1.873 176.655 174.600 0.304 0.000 1.037 113 S CA 1.625 59.932 58.200 0.178 0.000 1.069 113 S CB -0.979 62.318 63.200 0.163 0.000 1.006 113 S HN 0.847 nan 8.310 nan 0.000 0.423 114 E N 1.127 121.566 120.200 0.398 0.000 2.338 114 E HA -0.041 4.310 4.350 0.001 0.000 0.197 114 E C 1.851 178.598 176.600 0.246 0.000 1.007 114 E CA 0.991 57.605 56.400 0.357 0.000 0.849 114 E CB -0.494 29.357 29.700 0.252 0.000 0.774 114 E HN 0.479 nan 8.360 nan 0.000 0.506 115 V N 1.602 121.659 119.914 0.238 0.000 2.379 115 V HA -0.194 3.926 4.120 0.001 0.000 0.245 115 V C 2.213 178.403 176.094 0.160 0.000 1.044 115 V CA 2.127 64.537 62.300 0.183 0.000 1.036 115 V CB -0.573 31.369 31.823 0.198 0.000 0.664 115 V HN 0.387 nan 8.190 nan 0.000 0.453 116 T N 0.280 114.943 114.554 0.183 0.000 3.007 116 T HA -0.025 4.325 4.350 0.001 0.000 0.270 116 T C 1.923 176.716 174.700 0.155 0.000 1.107 116 T CA 1.158 63.340 62.100 0.137 0.000 1.118 116 T CB -0.215 68.743 68.868 0.150 0.000 0.889 116 T HN 0.548 nan 8.240 nan 0.000 0.506 117 A N 1.836 124.786 122.820 0.217 0.000 1.832 117 A HA 0.327 4.648 4.320 0.001 0.000 0.214 117 A C 2.612 180.337 177.584 0.235 0.000 1.204 117 A CA 1.301 53.501 52.037 0.271 0.000 0.606 117 A CB -1.215 17.991 19.000 0.342 0.000 0.849 117 A HN 0.470 nan 8.150 nan 0.000 0.445 118 A N -1.361 121.579 122.820 0.200 0.000 2.225 118 A HA 0.090 4.410 4.320 0.001 0.000 0.215 118 A C 1.962 179.627 177.584 0.135 0.000 1.164 118 A CA 1.548 53.690 52.037 0.176 0.000 0.710 118 A CB -0.434 18.639 19.000 0.123 0.000 0.780 118 A HN 0.503 nan 8.150 nan 0.000 0.473 119 L N -0.862 120.430 121.223 0.116 0.000 2.189 119 L HA 0.176 4.516 4.340 0.001 0.000 0.199 119 L C 2.313 179.223 176.870 0.068 0.000 1.074 119 L CA 1.687 56.572 54.840 0.075 0.000 0.783 119 L CB -0.448 41.639 42.059 0.046 0.000 0.955 119 L HN 0.418 nan 8.230 nan 0.000 0.460 120 R N -0.571 119.970 120.500 0.069 0.000 2.241 120 R HA -0.107 4.233 4.340 0.001 0.000 0.224 120 R C 1.730 178.061 176.300 0.052 0.000 1.101 120 R CA 1.572 57.685 56.100 0.022 0.000 0.995 120 R CB -0.161 30.128 30.300 -0.018 0.000 0.870 120 R HN 0.460 nan 8.270 nan 0.000 0.463 121 V N -2.413 117.573 119.914 0.120 0.000 3.307 121 V HA 0.138 4.258 4.120 0.001 0.000 0.253 121 V C 0.969 177.131 176.094 0.114 0.000 1.149 121 V CA 0.553 62.948 62.300 0.159 0.000 1.112 121 V CB -0.111 31.821 31.823 0.182 0.000 0.777 121 V HN 0.327 nan 8.190 nan 0.000 0.464 122 T N -0.083 114.529 114.554 0.097 0.000 2.884 122 T HA 0.539 4.889 4.350 0.001 0.000 0.277 122 T C 0.163 174.901 174.700 0.063 0.000 0.976 122 T CA 0.234 62.377 62.100 0.073 0.000 0.956 122 T CB 1.618 70.529 68.868 0.071 0.000 1.113 122 T HN 0.521 nan 8.240 nan 0.000 0.554 123 D N -2.005 118.428 120.400 0.054 0.000 2.562 123 D HA 0.316 4.956 4.640 0.001 0.000 0.246 123 D C 0.468 176.806 176.300 0.064 0.000 1.347 123 D CA -0.362 53.675 54.000 0.062 0.000 0.800 123 D CB 0.032 40.862 40.800 0.049 0.000 1.111 123 D HN 0.908 nan 8.370 nan 0.000 0.508 124 G N -0.598 108.230 108.800 0.047 0.000 2.692 124 G HA2 0.704 4.664 3.960 0.001 0.000 0.291 124 G HA3 0.704 4.664 3.960 0.001 0.000 0.291 124 G C -1.816 173.095 174.900 0.020 0.000 1.423 124 G CA -0.456 44.663 45.100 0.031 0.000 0.843 124 G HN 0.425 nan 8.290 nan 0.000 0.486 125 A N -0.297 122.524 122.820 0.002 0.000 2.589 125 A HA 0.696 5.017 4.320 0.001 0.000 0.296 125 A C -1.936 175.632 177.584 -0.027 0.000 1.062 125 A CA -0.580 51.453 52.037 -0.006 0.000 0.686 125 A CB 1.926 20.924 19.000 -0.003 0.000 1.282 125 A HN 1.593 nan 8.150 nan 0.000 0.404 126 L N 2.548 123.754 121.223 -0.028 0.000 2.277 126 L HA 0.567 4.907 4.340 0.001 0.000 0.284 126 L C -0.779 176.064 176.870 -0.045 0.000 1.028 126 L CA -0.243 54.568 54.840 -0.048 0.000 0.835 126 L CB 1.278 43.310 42.059 -0.045 0.000 1.215 126 L HN 0.429 nan 8.230 nan 0.000 0.425 127 V N 6.479 126.355 119.914 -0.064 0.000 2.326 127 V HA 0.132 4.252 4.120 0.001 0.000 0.249 127 V C 0.233 176.290 176.094 -0.062 0.000 1.114 127 V CA -0.434 61.835 62.300 -0.051 0.000 1.028 127 V CB 0.646 32.431 31.823 -0.064 0.000 1.170 127 V HN 0.460 nan 8.190 nan 0.000 0.494 128 V N 6.795 126.694 119.914 -0.026 0.000 2.338 128 V HA 0.193 4.313 4.120 0.001 0.000 0.255 128 V C 0.381 176.474 176.094 -0.002 0.000 1.082 128 V CA -0.012 62.273 62.300 -0.026 0.000 0.951 128 V CB 0.812 32.639 31.823 0.008 0.000 1.102 128 V HN 0.592 nan 8.190 nan 0.000 0.489 129 V N 3.473 123.338 119.914 -0.081 0.000 3.109 129 V HA 0.450 4.571 4.120 0.001 0.000 0.317 129 V C 0.034 175.982 176.094 -0.243 0.000 1.074 129 V CA -0.738 61.465 62.300 -0.161 0.000 1.033 129 V CB 2.140 33.897 31.823 -0.111 0.000 1.111 129 V HN 0.785 nan 8.190 nan 0.000 0.458 130 D N -0.097 120.046 120.400 -0.428 0.000 2.332 130 D HA 0.349 4.990 4.640 0.001 0.000 0.252 130 D C 0.874 177.141 176.300 -0.056 0.000 1.050 130 D CA -0.098 53.728 54.000 -0.290 0.000 0.970 130 D CB 2.025 42.555 40.800 -0.450 0.000 1.141 130 D HN 0.544 nan 8.370 nan 0.000 0.485 131 T N 1.059 115.647 114.554 0.057 0.000 2.852 131 T HA 0.009 4.360 4.350 0.001 0.000 0.256 131 T C 1.712 176.448 174.700 0.059 0.000 1.038 131 T CA 0.592 62.800 62.100 0.179 0.000 1.141 131 T CB -0.070 68.976 68.868 0.297 0.000 0.869 131 T HN 0.297 nan 8.240 nan 0.000 0.439 132 I N 1.332 121.922 120.570 0.033 0.000 2.188 132 I HA 0.006 4.177 4.170 0.001 0.000 0.237 132 I C 2.432 178.547 176.117 -0.004 0.000 1.073 132 I CA 1.346 62.654 61.300 0.013 0.000 1.359 132 I CB -0.502 37.515 38.000 0.029 0.000 1.083 132 I HN 0.180 nan 8.210 nan 0.000 0.412 133 E N 0.591 120.783 120.200 -0.013 0.000 2.153 133 E HA 0.044 4.394 4.350 0.001 0.000 0.194 133 E C 1.358 177.939 176.600 -0.032 0.000 0.988 133 E CA 0.715 57.106 56.400 -0.015 0.000 0.811 133 E CB -0.250 29.454 29.700 0.007 0.000 0.746 133 E HN 0.542 nan 8.360 nan 0.000 0.466 134 G N 0.391 109.154 108.800 -0.062 0.000 2.553 134 G HA2 -0.307 3.654 3.960 0.001 0.000 0.242 134 G HA3 -0.307 3.654 3.960 0.001 0.000 0.242 134 G C -0.114 174.735 174.900 -0.085 0.000 1.277 134 G CA -0.314 44.756 45.100 -0.050 0.000 0.910 134 G HN 0.139 nan 8.290 nan 0.000 0.576 135 V N 1.883 121.776 119.914 -0.034 0.000 2.415 135 V HA 0.355 4.475 4.120 0.001 0.000 0.267 135 V C 1.820 177.934 176.094 0.033 0.000 1.042 135 V CA -0.172 62.123 62.300 -0.008 0.000 1.000 135 V CB -0.749 31.079 31.823 0.008 0.000 1.015 135 V HN 1.369 nan 8.190 nan 0.000 0.478 136 C N 5.033 124.387 119.300 0.090 0.000 2.769 136 C HA 0.404 4.864 4.460 0.001 0.000 0.296 136 C C 1.877 176.922 174.990 0.092 0.000 1.538 136 C CA -0.222 58.864 59.018 0.113 0.000 2.178 136 C CB 0.025 27.880 27.740 0.192 0.000 2.077 136 C HN 0.571 nan 8.230 nan 0.000 0.648 137 V N 0.903 120.868 119.914 0.084 0.000 2.649 137 V HA -0.127 3.994 4.120 0.001 0.000 0.248 137 V C 2.669 178.812 176.094 0.083 0.000 1.054 137 V CA 2.121 64.463 62.300 0.070 0.000 1.073 137 V CB -1.335 30.521 31.823 0.056 0.000 0.699 137 V HN 0.985 nan 8.190 nan 0.000 0.463 138 Q N 0.501 120.372 119.800 0.119 0.000 1.994 138 Q HA -0.178 4.162 4.340 0.001 0.000 0.198 138 Q C 2.204 178.268 176.000 0.106 0.000 0.976 138 Q CA 2.336 58.211 55.803 0.119 0.000 0.828 138 Q CB -0.340 28.500 28.738 0.171 0.000 0.894 138 Q HN 0.544 nan 8.270 nan 0.000 0.432 139 T N 0.975 115.614 114.554 0.143 0.000 2.849 139 T HA -0.189 4.161 4.350 0.001 0.000 0.270 139 T C 1.472 176.216 174.700 0.072 0.000 1.066 139 T CA 1.523 63.694 62.100 0.119 0.000 1.130 139 T CB -0.172 68.803 68.868 0.179 0.000 0.864 139 T HN 0.460 nan 8.240 nan 0.000 0.481 140 E N 0.396 120.637 120.200 0.069 0.000 2.112 140 E HA -0.103 4.247 4.350 0.001 0.000 0.190 140 E C 2.024 178.634 176.600 0.017 0.000 0.979 140 E CA 1.023 57.450 56.400 0.046 0.000 0.814 140 E CB 0.034 29.767 29.700 0.055 0.000 0.762 140 E HN 0.369 nan 8.360 nan 0.000 0.460 141 T N 0.565 115.132 114.554 0.021 0.000 2.737 141 T HA -0.106 4.244 4.350 0.001 0.000 0.265 141 T C 1.934 176.619 174.700 -0.025 0.000 1.038 141 T CA 1.274 63.371 62.100 -0.006 0.000 1.144 141 T CB -0.191 68.699 68.868 0.037 0.000 0.866 141 T HN 0.027 nan 8.240 nan 0.000 0.434 142 V N 1.669 121.590 119.914 0.011 0.000 2.453 142 V HA -0.152 3.968 4.120 0.001 0.000 0.252 142 V C 2.403 178.473 176.094 -0.041 0.000 1.068 142 V CA 1.225 63.526 62.300 0.001 0.000 1.070 142 V CB -0.746 31.095 31.823 0.029 0.000 0.664 142 V HN 0.295 nan 8.190 nan 0.000 0.461 143 L N 0.169 121.371 121.223 -0.034 0.000 2.017 143 L HA -0.124 4.216 4.340 0.001 0.000 0.208 143 L C 2.618 179.437 176.870 -0.085 0.000 1.073 143 L CA 1.841 56.658 54.840 -0.038 0.000 0.745 143 L CB -0.698 41.357 42.059 -0.007 0.000 0.894 143 L HN 0.207 nan 8.230 nan 0.000 0.432 144 R N -1.202 119.203 120.500 -0.158 0.000 2.139 144 R HA -0.212 4.128 4.340 0.001 0.000 0.243 144 R C 2.207 178.344 176.300 -0.271 0.000 1.145 144 R CA 1.410 57.325 56.100 -0.308 0.000 0.976 144 R CB -0.344 29.669 30.300 -0.478 0.000 0.866 144 R HN 0.482 nan 8.270 nan 0.000 0.449 145 Q N 0.031 119.672 119.800 -0.264 0.000 2.020 145 Q HA -0.006 4.334 4.340 0.001 0.000 0.198 145 Q C 2.287 178.185 176.000 -0.171 0.000 0.974 145 Q CA 1.635 57.252 55.803 -0.311 0.000 0.829 145 Q CB -0.423 28.112 28.738 -0.338 0.000 0.894 145 Q HN 0.336 nan 8.270 nan 0.000 0.433 146 A N 0.895 123.653 122.820 -0.102 0.000 1.986 146 A HA -0.184 4.137 4.320 0.001 0.000 0.220 146 A C 2.247 179.808 177.584 -0.038 0.000 1.171 146 A CA 1.290 53.297 52.037 -0.049 0.000 0.640 146 A CB -0.754 18.229 19.000 -0.027 0.000 0.811 146 A HN 0.326 nan 8.150 nan 0.000 0.451 147 L N -1.014 120.180 121.223 -0.049 0.000 2.056 147 L HA -0.069 4.271 4.340 0.001 0.000 0.207 147 L C 2.686 179.542 176.870 -0.023 0.000 1.078 147 L CA 1.063 55.891 54.840 -0.019 0.000 0.749 147 L CB -0.612 41.456 42.059 0.014 0.000 0.901 147 L HN 0.457 nan 8.230 nan 0.000 0.433 148 G N -1.184 107.577 108.800 -0.066 0.000 2.679 148 G HA2 -0.127 3.833 3.960 0.001 0.000 0.212 148 G HA3 -0.127 3.833 3.960 0.001 0.000 0.212 148 G C 1.276 176.152 174.900 -0.040 0.000 1.137 148 G CA 0.229 45.292 45.100 -0.062 0.000 0.787 148 G HN 0.247 nan 8.290 nan 0.000 0.534 149 E N -0.002 120.182 120.200 -0.028 0.000 2.538 149 E HA 0.122 4.473 4.350 0.001 0.000 0.207 149 E C 0.298 176.930 176.600 0.053 0.000 1.002 149 E CA -0.427 55.972 56.400 -0.002 0.000 0.952 149 E CB 0.429 30.121 29.700 -0.013 0.000 1.031 149 E HN 0.356 nan 8.360 nan 0.000 0.476 150 R N 0.537 121.077 120.500 0.068 0.000 3.152 150 R HA -0.145 4.195 4.340 0.001 0.000 0.252 150 R C -0.519 175.879 176.300 0.163 0.000 0.930 150 R CA 0.436 56.619 56.100 0.139 0.000 0.642 150 R CB -1.978 28.517 30.300 0.326 0.000 1.205 150 R HN 0.140 nan 8.270 nan 0.000 0.452 151 I N 0.969 121.587 120.570 0.080 0.000 2.447 151 I HA 0.167 4.337 4.170 0.001 0.000 0.287 151 I C 0.294 176.433 176.117 0.036 0.000 1.023 151 I CA -1.221 60.121 61.300 0.070 0.000 1.083 151 I CB 1.810 39.836 38.000 0.042 0.000 1.245 151 I HN 0.006 nan 8.210 nan 0.000 0.434 152 K N 9.323 129.749 120.400 0.043 0.000 2.430 152 K HA 0.138 4.458 4.320 0.001 0.000 0.280 152 K C -2.378 174.210 176.600 -0.021 0.000 1.063 152 K CA -0.742 55.549 56.287 0.007 0.000 1.071 152 K CB 0.351 32.866 32.500 0.024 0.000 0.899 152 K HN 0.163 nan 8.250 nan 0.000 0.473 153 P HA 0.168 nan 4.420 nan 0.000 0.296 153 P C -1.130 176.101 177.300 -0.115 0.000 1.306 153 P CA -0.572 62.484 63.100 -0.072 0.000 0.818 153 P CB 1.452 33.107 31.700 -0.075 0.000 0.969 154 V N 4.138 123.983 119.914 -0.115 0.000 2.555 154 V HA 0.324 4.444 4.120 0.001 0.000 0.302 154 V C 0.301 176.290 176.094 -0.175 0.000 1.038 154 V CA -0.860 61.343 62.300 -0.161 0.000 0.887 154 V CB 2.328 34.072 31.823 -0.132 0.000 0.991 154 V HN 0.276 nan 8.190 nan 0.000 0.434 155 V N 4.940 124.712 119.914 -0.235 0.000 2.427 155 V HA 0.542 4.663 4.120 0.001 0.000 0.286 155 V C -0.362 175.541 176.094 -0.317 0.000 1.034 155 V CA -0.372 61.780 62.300 -0.247 0.000 0.893 155 V CB 1.899 33.566 31.823 -0.261 0.000 0.982 155 V HN 0.621 nan 8.190 nan 0.000 0.452 156 V N 6.500 126.250 119.914 -0.273 0.000 2.488 156 V HA 0.424 4.544 4.120 0.001 0.000 0.293 156 V C -0.225 175.710 176.094 -0.265 0.000 1.027 156 V CA -0.354 61.752 62.300 -0.324 0.000 0.862 156 V CB 1.833 33.510 31.823 -0.244 0.000 1.008 156 V HN 0.696 nan 8.190 nan 0.000 0.428 157 I N 4.486 124.863 120.570 -0.322 0.000 2.278 157 I HA 0.232 4.403 4.170 0.001 0.000 0.296 157 I C 0.494 176.522 176.117 -0.147 0.000 1.121 157 I CA 0.120 61.323 61.300 -0.161 0.000 1.267 157 I CB 0.329 38.300 38.000 -0.048 0.000 1.447 157 I HN 0.594 nan 8.210 nan 0.000 0.509 158 N N 5.316 123.948 118.700 -0.113 0.000 2.434 158 N HA 0.215 4.955 4.740 0.001 0.000 0.266 158 N C -0.207 175.282 175.510 -0.034 0.000 1.223 158 N CA -0.293 52.693 53.050 -0.107 0.000 0.972 158 N CB 0.638 39.085 38.487 -0.067 0.000 1.207 158 N HN 0.359 nan 8.380 nan 0.000 0.525 159 K N -0.402 119.979 120.400 -0.032 0.000 3.162 159 K HA -0.128 4.192 4.320 0.001 0.000 0.268 159 K C 0.265 176.928 176.600 0.105 0.000 1.062 159 K CA 0.259 56.575 56.287 0.049 0.000 0.769 159 K CB -2.003 30.544 32.500 0.079 0.000 1.274 159 K HN 0.264 nan 8.250 nan 0.000 0.478 160 V N -0.035 119.942 119.914 0.104 0.000 2.871 160 V HA -0.209 3.911 4.120 0.001 0.000 0.256 160 V C 2.157 178.429 176.094 0.297 0.000 1.082 160 V CA 2.150 64.619 62.300 0.282 0.000 1.105 160 V CB -0.379 31.678 31.823 0.390 0.000 0.713 160 V HN 0.620 nan 8.190 nan 0.000 0.473 161 D N 0.772 121.328 120.400 0.260 0.000 2.219 161 D HA -0.261 4.379 4.640 0.001 0.000 0.205 161 D C 2.127 178.538 176.300 0.185 0.000 0.970 161 D CA 1.083 55.218 54.000 0.225 0.000 0.851 161 D CB -0.400 40.414 40.800 0.024 0.000 0.943 161 D HN 0.346 nan 8.370 nan 0.000 0.488 162 R N 0.025 120.626 120.500 0.169 0.000 2.189 162 R HA 0.044 4.385 4.340 0.001 0.000 0.223 162 R C 1.762 178.130 176.300 0.114 0.000 1.092 162 R CA 1.082 57.266 56.100 0.139 0.000 0.989 162 R CB -0.128 30.246 30.300 0.122 0.000 0.876 162 R HN 0.318 nan 8.270 nan 0.000 0.457 163 A N -0.035 122.857 122.820 0.121 0.000 2.147 163 A HA 0.130 4.450 4.320 0.001 0.000 0.211 163 A C 1.796 179.421 177.584 0.067 0.000 1.160 163 A CA 0.160 52.252 52.037 0.092 0.000 0.781 163 A CB 0.125 19.186 19.000 0.102 0.000 0.842 163 A HN 0.261 nan 8.150 nan 0.000 0.475 164 L N -1.383 119.869 121.223 0.048 0.000 2.189 164 L HA 0.049 4.389 4.340 0.001 0.000 0.199 164 L C 2.091 178.974 176.870 0.023 0.000 1.074 164 L CA 0.364 55.176 54.840 -0.048 0.000 0.783 164 L CB -0.490 41.445 42.059 -0.207 0.000 0.955 164 L HN 0.229 nan 8.230 nan 0.000 0.460 165 L N -0.262 121.017 121.223 0.094 0.000 2.109 165 L HA -0.075 4.266 4.340 0.001 0.000 0.207 165 L C 2.294 179.210 176.870 0.077 0.000 1.086 165 L CA 1.591 56.493 54.840 0.103 0.000 0.760 165 L CB -0.557 41.591 42.059 0.149 0.000 0.910 165 L HN 0.215 nan 8.230 nan 0.000 0.437 166 E N -0.813 119.433 120.200 0.077 0.000 2.046 166 E HA -0.033 4.317 4.350 0.001 0.000 0.199 166 E C 1.977 178.609 176.600 0.053 0.000 0.948 166 E CA 0.258 56.697 56.400 0.064 0.000 0.876 166 E CB -0.345 29.395 29.700 0.068 0.000 0.901 166 E HN 0.081 nan 8.360 nan 0.000 0.479 167 L N 1.187 122.441 121.223 0.052 0.000 2.261 167 L HA -0.169 4.172 4.340 0.001 0.000 0.216 167 L C 0.697 177.596 176.870 0.047 0.000 1.114 167 L CA 1.370 56.237 54.840 0.044 0.000 0.777 167 L CB -0.793 41.290 42.059 0.041 0.000 0.910 167 L HN 0.256 nan 8.230 nan 0.000 0.440 168 Q N -1.271 118.559 119.800 0.049 0.000 2.475 168 Q HA -0.206 4.134 4.340 0.001 0.000 0.280 168 Q C 0.077 176.127 176.000 0.085 0.000 1.234 168 Q CA 0.368 56.203 55.803 0.054 0.000 0.873 168 Q CB -1.910 26.858 28.738 0.050 0.000 1.256 168 Q HN 0.298 nan 8.270 nan 0.000 0.475 169 V N 1.283 121.252 119.914 0.093 0.000 2.763 169 V HA 0.176 4.296 4.120 0.001 0.000 0.306 169 V C 0.954 177.177 176.094 0.214 0.000 1.059 169 V CA 0.814 63.182 62.300 0.113 0.000 1.138 169 V CB 1.367 33.239 31.823 0.082 0.000 0.940 169 V HN 0.502 nan 8.190 nan 0.000 0.489 170 S N 5.807 121.590 115.700 0.139 0.000 2.641 170 S HA 0.316 4.786 4.470 0.001 0.000 0.261 170 S C 0.949 175.552 174.600 0.006 0.000 1.257 170 S CA -0.174 58.084 58.200 0.097 0.000 0.983 170 S CB 0.712 63.916 63.200 0.008 0.000 0.990 170 S HN 0.754 nan 8.310 nan 0.000 0.572 171 K N 0.292 120.539 120.400 -0.255 0.000 2.025 171 K HA -0.116 4.204 4.320 0.001 0.000 0.207 171 K C 2.217 178.772 176.600 -0.074 0.000 1.049 171 K CA 1.593 57.690 56.287 -0.316 0.000 0.933 171 K CB -0.299 31.902 32.500 -0.497 0.000 0.714 171 K HN 0.731 nan 8.250 nan 0.000 0.438 172 E N 1.529 121.683 120.200 -0.076 0.000 2.106 172 E HA -0.170 4.180 4.350 0.001 0.000 0.192 172 E C 1.219 177.836 176.600 0.028 0.000 0.984 172 E CA 1.578 57.964 56.400 -0.023 0.000 0.806 172 E CB -0.051 29.618 29.700 -0.051 0.000 0.750 172 E HN 0.174 nan 8.360 nan 0.000 0.458 173 D N -0.159 120.245 120.400 0.006 0.000 2.149 173 D HA -0.107 4.533 4.640 0.001 0.000 0.201 173 D C 1.798 178.077 176.300 -0.034 0.000 0.972 173 D CA 0.625 54.623 54.000 -0.003 0.000 0.835 173 D CB -0.235 40.565 40.800 0.001 0.000 0.966 173 D HN 0.230 nan 8.370 nan 0.000 0.476 174 L N -0.172 121.044 121.223 -0.012 0.000 2.217 174 L HA -0.064 4.276 4.340 0.001 0.000 0.211 174 L C 1.992 178.711 176.870 -0.252 0.000 1.107 174 L CA 1.159 55.927 54.840 -0.120 0.000 0.783 174 L CB -0.555 41.549 42.059 0.076 0.000 0.919 174 L HN -0.022 nan 8.230 nan 0.000 0.442 175 Y N -0.350 119.867 120.300 -0.138 0.000 2.263 175 Y HA -0.167 4.383 4.550 0.000 0.000 0.292 175 Y C 2.304 178.094 175.900 -0.183 0.000 1.130 175 Y CA 1.491 59.517 58.100 -0.123 0.000 1.179 175 Y CB 0.055 38.453 38.460 -0.104 0.000 0.998 175 Y HN 0.256 nan 8.280 nan 0.000 0.532 176 Q N -0.514 119.241 119.800 -0.074 0.000 2.436 176 Q HA -0.086 4.254 4.340 0.001 0.000 0.209 176 Q C 1.921 177.820 176.000 -0.168 0.000 0.965 176 Q CA 1.397 57.135 55.803 -0.108 0.000 0.910 176 Q CB -0.345 28.381 28.738 -0.021 0.000 0.980 176 Q HN 0.491 nan 8.270 nan 0.000 0.491 177 T N 0.581 114.961 114.554 -0.290 0.000 2.732 177 T HA -0.046 4.305 4.350 0.001 0.000 0.261 177 T C 1.347 175.903 174.700 -0.241 0.000 1.040 177 T CA 0.942 62.842 62.100 -0.333 0.000 1.145 177 T CB -0.198 68.345 68.868 -0.543 0.000 0.866 177 T HN 0.185 nan 8.240 nan 0.000 0.427 178 F N 1.730 121.670 119.950 -0.017 0.000 2.325 178 F HA 0.273 4.801 4.527 0.001 0.000 0.299 178 F C 2.570 178.414 175.800 0.072 0.000 1.090 178 F CA -0.060 57.974 58.000 0.057 0.000 1.392 178 F CB -1.186 37.880 39.000 0.110 0.000 1.053 178 F HN 0.126 nan 8.300 nan 0.000 0.521 179 A N 0.342 123.210 122.820 0.080 0.000 1.969 179 A HA -0.130 4.191 4.320 0.001 0.000 0.218 179 A C 2.307 179.938 177.584 0.079 0.000 1.169 179 A CA 1.290 53.376 52.037 0.082 0.000 0.635 179 A CB -0.498 18.407 19.000 -0.158 0.000 0.810 179 A HN 0.337 nan 8.150 nan 0.000 0.445 180 R N -1.572 118.947 120.500 0.033 0.000 2.189 180 R HA 0.039 4.379 4.340 0.001 0.000 0.203 180 R C 1.974 178.297 176.300 0.038 0.000 1.012 180 R CA 1.172 57.288 56.100 0.026 0.000 1.015 180 R CB -0.286 30.013 30.300 -0.000 0.000 0.938 180 R HN 0.442 nan 8.270 nan 0.000 0.472 181 T N 0.728 115.321 114.554 0.066 0.000 2.770 181 T HA -0.062 4.288 4.350 0.001 0.000 0.263 181 T C 1.854 176.585 174.700 0.051 0.000 1.039 181 T CA 1.170 63.312 62.100 0.071 0.000 1.142 181 T CB 0.009 68.961 68.868 0.140 0.000 0.868 181 T HN -0.027 nan 8.240 nan 0.000 0.435 182 V N 1.378 121.337 119.914 0.075 0.000 3.041 182 V HA -0.003 4.117 4.120 0.001 0.000 0.260 182 V C 2.357 178.443 176.094 -0.013 0.000 1.105 182 V CA 1.224 63.526 62.300 0.003 0.000 1.125 182 V CB -0.452 31.360 31.823 -0.019 0.000 0.730 182 V HN 0.367 nan 8.190 nan 0.000 0.479 183 E N 0.518 120.734 120.200 0.026 0.000 2.299 183 E HA -0.069 4.282 4.350 0.001 0.000 0.193 183 E C 2.164 178.764 176.600 0.000 0.000 0.998 183 E CA 0.929 57.339 56.400 0.017 0.000 0.851 183 E CB -0.116 29.608 29.700 0.040 0.000 0.795 183 E HN 0.486 nan 8.360 nan 0.000 0.492 184 S N -0.906 114.797 115.700 0.004 0.000 2.522 184 S HA -0.001 4.469 4.470 0.001 0.000 0.227 184 S C 1.549 176.145 174.600 -0.007 0.000 0.986 184 S CA 0.609 58.810 58.200 0.002 0.000 0.929 184 S CB 0.272 63.477 63.200 0.009 0.000 0.769 184 S HN 0.124 nan 8.310 nan 0.000 0.529 185 V N 3.099 122.998 119.914 -0.026 0.000 2.581 185 V HA -0.046 4.074 4.120 0.001 0.000 0.240 185 V C 2.444 178.498 176.094 -0.066 0.000 1.054 185 V CA 1.162 63.435 62.300 -0.045 0.000 1.076 185 V CB -0.627 31.151 31.823 -0.075 0.000 0.748 185 V HN 0.584 nan 8.190 nan 0.000 0.474 186 N N 1.468 120.112 118.700 -0.092 0.000 2.166 186 N HA -0.151 4.589 4.740 0.001 0.000 0.186 186 N C 1.709 177.167 175.510 -0.085 0.000 1.019 186 N CA 1.793 54.771 53.050 -0.119 0.000 0.856 186 N CB -0.587 37.816 38.487 -0.139 0.000 0.993 186 N HN 0.346 nan 8.380 nan 0.000 0.426 187 V N 1.619 121.496 119.914 -0.061 0.000 2.343 187 V HA -0.162 3.958 4.120 0.001 0.000 0.247 187 V C 2.531 178.566 176.094 -0.099 0.000 1.051 187 V CA 1.060 63.319 62.300 -0.068 0.000 1.036 187 V CB -0.420 31.376 31.823 -0.045 0.000 0.654 187 V HN 0.240 nan 8.190 nan 0.000 0.451 188 I N -0.416 120.123 120.570 -0.052 0.000 2.493 188 I HA -0.123 4.047 4.170 0.001 0.000 0.254 188 I C 2.315 178.429 176.117 -0.004 0.000 1.160 188 I CA 1.205 62.504 61.300 -0.002 0.000 1.445 188 I CB -1.122 36.945 38.000 0.111 0.000 1.086 188 I HN 0.168 nan 8.210 nan 0.000 0.433 189 V N 1.363 121.253 119.914 -0.041 0.000 2.231 189 V HA -0.212 3.908 4.120 0.001 0.000 0.240 189 V C 2.615 178.661 176.094 -0.079 0.000 1.039 189 V CA 1.994 64.264 62.300 -0.048 0.000 0.998 189 V CB -1.036 30.730 31.823 -0.095 0.000 0.639 189 V HN 0.527 nan 8.190 nan 0.000 0.451 190 S N -0.541 115.100 115.700 -0.098 0.000 2.441 190 S HA -0.247 4.224 4.470 0.001 0.000 0.242 190 S C 1.701 176.223 174.600 -0.130 0.000 1.018 190 S CA 2.053 60.198 58.200 -0.092 0.000 0.988 190 S CB -0.807 62.349 63.200 -0.073 0.000 0.778 190 S HN 0.634 nan 8.310 nan 0.000 0.498 191 T N 1.301 115.722 114.554 -0.222 0.000 2.673 191 T HA 0.067 4.417 4.350 0.001 0.000 0.248 191 T C 0.809 175.315 174.700 -0.323 0.000 1.080 191 T CA 1.131 63.002 62.100 -0.382 0.000 1.203 191 T CB -0.574 67.847 68.868 -0.745 0.000 0.893 191 T HN 0.546 nan 8.240 nan 0.000 0.404 192 Y N 1.858 122.138 120.300 -0.033 0.000 2.471 192 Y HA 0.560 5.110 4.550 0.001 0.000 0.321 192 Y C 0.852 176.727 175.900 -0.042 0.000 1.195 192 Y CA -1.119 56.960 58.100 -0.035 0.000 1.272 192 Y CB -1.058 37.379 38.460 -0.039 0.000 1.097 192 Y HN 0.128 nan 8.280 nan 0.000 0.507 193 A N 0.211 123.048 122.820 0.029 0.000 2.276 193 A HA 0.226 4.546 4.320 0.001 0.000 0.300 193 A C -0.075 177.503 177.584 -0.010 0.000 1.235 193 A CA -0.669 51.368 52.037 0.001 0.000 0.867 193 A CB 0.152 19.132 19.000 -0.033 0.000 1.137 193 A HN 0.186 nan 8.150 nan 0.000 0.527 194 D N 1.646 122.038 120.400 -0.013 0.000 2.400 194 D HA 0.018 4.658 4.640 0.001 0.000 0.238 194 D C 1.190 177.467 176.300 -0.038 0.000 1.157 194 D CA 0.258 54.245 54.000 -0.021 0.000 0.889 194 D CB 0.755 41.539 40.800 -0.027 0.000 1.199 194 D HN 0.671 nan 8.370 nan 0.000 0.436 195 E N 1.065 121.247 120.200 -0.030 0.000 2.047 195 E HA -0.118 4.233 4.350 0.001 0.000 0.191 195 E C 2.043 178.614 176.600 -0.048 0.000 0.987 195 E CA 0.771 57.152 56.400 -0.033 0.000 0.799 195 E CB 0.078 29.765 29.700 -0.021 0.000 0.752 195 E HN 0.276 nan 8.360 nan 0.000 0.449 196 V N 1.847 121.726 119.914 -0.057 0.000 2.332 196 V HA -0.250 3.870 4.120 0.001 0.000 0.248 196 V C 2.307 178.322 176.094 -0.132 0.000 1.055 196 V CA 1.476 63.728 62.300 -0.079 0.000 1.038 196 V CB -0.519 31.259 31.823 -0.074 0.000 0.651 196 V HN 0.276 nan 8.190 nan 0.000 0.450 197 L N -0.007 121.117 121.223 -0.165 0.000 2.450 197 L HA 0.140 4.480 4.340 0.001 0.000 0.224 197 L C 1.492 178.287 176.870 -0.124 0.000 1.149 197 L CA 0.739 55.453 54.840 -0.210 0.000 0.816 197 L CB -1.192 40.748 42.059 -0.199 0.000 0.932 197 L HN 0.603 nan 8.230 nan 0.000 0.449 198 G N 0.578 109.328 108.800 -0.083 0.000 2.749 198 G HA2 -0.366 3.595 3.960 0.001 0.000 0.242 198 G HA3 -0.366 3.595 3.960 0.001 0.000 0.242 198 G C -0.308 174.570 174.900 -0.038 0.000 1.364 198 G CA -0.042 45.028 45.100 -0.050 0.000 0.888 198 G HN 0.384 nan 8.290 nan 0.000 0.566 199 D N -1.013 119.380 120.400 -0.011 0.000 2.451 199 D HA 0.251 4.892 4.640 0.001 0.000 0.254 199 D C 0.918 177.220 176.300 0.003 0.000 1.204 199 D CA 0.971 54.978 54.000 0.011 0.000 0.896 199 D CB 1.145 41.983 40.800 0.064 0.000 1.136 199 D HN 0.966 nan 8.370 nan 0.000 0.499 200 V N 4.055 123.946 119.914 -0.039 0.000 3.346 200 V HA 0.113 4.233 4.120 0.001 0.000 0.309 200 V C 0.453 176.456 176.094 -0.152 0.000 1.457 200 V CA -0.083 62.174 62.300 -0.071 0.000 1.069 200 V CB -0.351 31.428 31.823 -0.073 0.000 0.944 200 V HN 0.595 nan 8.190 nan 0.000 0.449 201 Q N 1.031 120.705 119.800 -0.211 0.000 2.369 201 Q HA 0.155 4.495 4.340 0.001 0.000 0.295 201 Q C -0.017 175.547 176.000 -0.727 0.000 1.075 201 Q CA 0.462 55.998 55.803 -0.446 0.000 0.941 201 Q CB 1.258 29.690 28.738 -0.511 0.000 1.260 201 Q HN 0.516 nan 8.270 nan 0.000 0.417 202 V N 0.502 120.030 119.914 -0.644 0.000 2.432 202 V HA 0.301 4.422 4.120 0.001 0.000 0.271 202 V C -1.020 174.641 176.094 -0.721 0.000 1.046 202 V CA -0.566 61.385 62.300 -0.582 0.000 0.945 202 V CB -0.178 31.410 31.823 -0.392 0.000 0.992 202 V HN 0.494 nan 8.190 nan 0.000 0.471 203 Y N 5.186 125.332 120.300 -0.257 0.000 2.328 203 Y HA 0.481 5.032 4.550 0.001 0.000 0.333 203 Y C -1.858 173.830 175.900 -0.353 0.000 0.958 203 Y CA -2.476 55.453 58.100 -0.284 0.000 1.167 203 Y CB 2.023 40.369 38.460 -0.189 0.000 1.151 203 Y HN 0.420 nan 8.280 nan 0.000 0.470 204 P HA -0.199 nan 4.420 nan 0.000 0.216 204 P C 1.142 178.339 177.300 -0.172 0.000 1.150 204 P CA 2.009 64.855 63.100 -0.423 0.000 0.837 204 P CB 0.315 31.417 31.700 -0.996 0.000 0.786 205 A N -0.755 121.952 122.820 -0.188 0.000 2.239 205 A HA -0.042 4.278 4.320 0.001 0.000 0.209 205 A C 1.853 179.475 177.584 0.063 0.000 1.171 205 A CA 0.765 52.834 52.037 0.052 0.000 0.768 205 A CB -0.787 18.282 19.000 0.115 0.000 0.790 205 A HN 0.141 nan 8.150 nan 0.000 0.478 206 R N -2.019 118.505 120.500 0.039 0.000 2.404 206 R HA 0.278 4.619 4.340 0.001 0.000 0.237 206 R C 1.051 177.426 176.300 0.124 0.000 0.907 206 R CA 0.533 56.680 56.100 0.078 0.000 1.063 206 R CB 0.473 30.826 30.300 0.088 0.000 1.134 206 R HN 0.593 nan 8.270 nan 0.000 0.529 207 G N 1.348 110.187 108.800 0.064 0.000 2.134 207 G HA2 -0.263 3.697 3.960 0.001 0.000 0.209 207 G HA3 -0.263 3.697 3.960 0.001 0.000 0.209 207 G C 0.672 175.561 174.900 -0.019 0.000 0.993 207 G CA 0.559 45.716 45.100 0.096 0.000 0.669 207 G HN 0.373 nan 8.290 nan 0.000 0.519 208 T N -2.267 112.123 114.554 -0.273 0.000 3.105 208 T HA 0.564 4.914 4.350 0.001 0.000 0.253 208 T C 0.295 174.760 174.700 -0.392 0.000 1.047 208 T CA 0.398 62.204 62.100 -0.490 0.000 0.944 208 T CB 1.202 69.713 68.868 -0.595 0.000 1.016 208 T HN 0.857 nan 8.240 nan 0.000 0.544 209 V N 1.271 120.946 119.914 -0.399 0.000 2.567 209 V HA 0.781 4.901 4.120 0.001 0.000 0.298 209 V C -0.112 175.415 176.094 -0.946 0.000 1.047 209 V CA -1.215 60.727 62.300 -0.598 0.000 0.880 209 V CB 1.115 32.596 31.823 -0.569 0.000 1.009 209 V HN 0.587 nan 8.190 nan 0.000 0.429 210 A N 4.680 126.888 122.820 -1.019 0.000 2.288 210 A HA 1.064 5.384 4.320 0.001 0.000 0.328 210 A C -1.183 175.425 177.584 -1.626 0.000 1.123 210 A CA -0.490 50.867 52.037 -1.132 0.000 0.861 210 A CB 1.247 19.919 19.000 -0.547 0.000 1.272 210 A HN 0.706 nan 8.150 nan 0.000 0.490 211 F N -1.057 118.454 119.950 -0.732 0.000 2.596 211 F HA 0.700 5.228 4.527 0.001 0.000 0.311 211 F C 0.508 175.865 175.800 -0.738 0.000 1.116 211 F CA 0.149 57.670 58.000 -0.797 0.000 0.957 211 F CB 2.164 40.560 39.000 -1.005 0.000 1.250 211 F HN 1.092 nan 8.300 nan 0.000 0.444 212 G N 0.429 108.904 108.800 -0.542 0.000 2.335 212 G HA2 0.483 4.443 3.960 0.001 0.000 0.291 212 G HA3 0.483 4.443 3.960 0.001 0.000 0.291 212 G C -2.016 172.315 174.900 -0.947 0.000 1.261 212 G CA -0.571 43.801 45.100 -1.213 0.000 0.871 212 G HN 0.776 nan 8.290 nan 0.000 0.491 213 S N -1.638 113.354 115.700 -1.181 0.000 2.541 213 S HA 0.641 5.111 4.470 0.001 0.000 0.280 213 S C 1.052 175.500 174.600 -0.253 0.000 1.112 213 S CA 0.743 58.647 58.200 -0.494 0.000 0.925 213 S CB 1.411 64.465 63.200 -0.243 0.000 1.067 213 S HN 1.768 nan 8.310 nan 0.000 0.479 214 G N 2.397 111.157 108.800 -0.066 0.000 2.459 214 G HA2 0.020 3.980 3.960 0.001 0.000 0.213 214 G HA3 0.020 3.980 3.960 0.001 0.000 0.213 214 G C 1.204 176.156 174.900 0.087 0.000 1.155 214 G CA 0.642 45.745 45.100 0.005 0.000 0.811 214 G HN 0.644 nan 8.290 nan 0.000 0.534 215 L N 0.683 121.992 121.223 0.143 0.000 2.013 215 L HA -0.097 4.243 4.340 0.001 0.000 0.212 215 L C 2.467 179.420 176.870 0.139 0.000 1.073 215 L CA 2.150 57.077 54.840 0.145 0.000 0.753 215 L CB -0.763 41.408 42.059 0.187 0.000 0.890 215 L HN 0.310 nan 8.230 nan 0.000 0.432 216 H N -0.251 118.923 119.070 0.174 0.000 2.482 216 H HA 0.362 4.918 4.556 0.000 0.000 0.286 216 H C 1.439 176.928 175.328 0.269 0.000 1.017 216 H CA 0.479 56.688 56.048 0.268 0.000 1.322 216 H CB -0.212 29.856 29.762 0.510 0.000 1.426 216 H HN 0.457 nan 8.280 nan 0.000 0.546 217 G N -0.220 108.769 108.800 0.316 0.000 2.203 217 G HA2 -0.181 3.779 3.960 0.001 0.000 0.231 217 G HA3 -0.181 3.779 3.960 0.001 0.000 0.231 217 G C -0.223 174.868 174.900 0.318 0.000 1.058 217 G CA 0.222 45.456 45.100 0.225 0.000 0.781 217 G HN 0.498 nan 8.290 nan 0.000 0.496 218 W N -0.989 120.429 121.300 0.196 0.000 2.950 218 W HA 0.855 5.516 4.660 0.000 0.000 0.340 218 W C -0.375 176.256 176.519 0.188 0.000 1.139 218 W CA -1.409 56.059 57.345 0.205 0.000 1.188 218 W CB 1.598 31.232 29.460 0.290 0.000 1.426 218 W HN 1.254 nan 8.180 nan 0.000 0.531 219 A N 3.113 126.130 122.820 0.329 0.000 2.590 219 A HA 0.774 5.094 4.320 0.001 0.000 0.294 219 A C -2.179 175.598 177.584 0.321 0.000 1.046 219 A CA -0.765 51.319 52.037 0.078 0.000 0.684 219 A CB 1.026 19.932 19.000 -0.157 0.000 1.279 219 A HN 1.162 nan 8.150 nan 0.000 0.415 220 F N -0.403 119.672 119.950 0.209 0.000 2.601 220 F HA 0.860 5.387 4.527 0.000 0.000 0.309 220 F C -0.096 175.820 175.800 0.195 0.000 1.089 220 F CA -0.219 57.889 58.000 0.180 0.000 0.940 220 F CB 1.547 40.718 39.000 0.285 0.000 1.273 220 F HN 0.812 nan 8.300 nan 0.000 0.450 221 T N 0.211 114.909 114.554 0.239 0.000 2.925 221 T HA 0.484 4.835 4.350 0.001 0.000 0.285 221 T C 0.904 175.895 174.700 0.484 0.000 1.021 221 T CA -0.785 61.428 62.100 0.190 0.000 1.042 221 T CB 1.473 70.368 68.868 0.046 0.000 1.037 221 T HN 0.777 nan 8.240 nan 0.000 0.481 222 I N 0.458 121.347 120.570 0.531 0.000 2.567 222 I HA -0.098 4.072 4.170 0.001 0.000 0.257 222 I C 2.791 179.140 176.117 0.386 0.000 1.184 222 I CA 1.083 62.743 61.300 0.600 0.000 1.451 222 I CB -0.332 38.006 38.000 0.563 0.000 1.089 222 I HN 0.724 nan 8.210 nan 0.000 0.441 223 R N 0.809 121.457 120.500 0.247 0.000 2.276 223 R HA -0.103 4.238 4.340 0.001 0.000 0.203 223 R C 2.022 178.387 176.300 0.108 0.000 1.017 223 R CA 0.731 56.923 56.100 0.153 0.000 1.010 223 R CB 0.137 30.495 30.300 0.096 0.000 0.900 223 R HN 0.476 nan 8.270 nan 0.000 0.469 224 Q N -1.030 118.834 119.800 0.107 0.000 2.123 224 Q HA -0.037 4.303 4.340 0.001 0.000 0.196 224 Q C 0.963 176.909 176.000 -0.090 0.000 0.958 224 Q CA 0.956 56.731 55.803 -0.045 0.000 0.841 224 Q CB 0.197 28.850 28.738 -0.142 0.000 0.915 224 Q HN 0.265 nan 8.270 nan 0.000 0.455 225 F N -0.202 119.816 119.950 0.114 0.000 2.811 225 F HA 0.129 4.656 4.527 0.001 0.000 0.301 225 F C 1.676 177.568 175.800 0.153 0.000 1.151 225 F CA 0.357 58.409 58.000 0.087 0.000 1.412 225 F CB 0.046 39.144 39.000 0.163 0.000 1.113 225 F HN 0.038 nan 8.300 nan 0.000 0.579 226 A N -1.249 121.737 122.820 0.277 0.000 2.147 226 A HA 0.036 4.356 4.320 0.001 0.000 0.211 226 A C 2.049 179.701 177.584 0.113 0.000 1.160 226 A CA 1.074 53.236 52.037 0.208 0.000 0.781 226 A CB -0.667 18.436 19.000 0.171 0.000 0.842 226 A HN 0.221 nan 8.150 nan 0.000 0.475 227 T N -0.468 114.122 114.554 0.060 0.000 3.067 227 T HA 0.029 4.379 4.350 0.001 0.000 0.257 227 T C 1.912 176.596 174.700 -0.027 0.000 1.105 227 T CA 0.838 62.942 62.100 0.007 0.000 1.104 227 T CB -0.017 68.838 68.868 -0.021 0.000 0.925 227 T HN 0.484 nan 8.240 nan 0.000 0.498 228 R N -0.141 120.328 120.500 -0.052 0.000 2.087 228 R HA 0.139 4.480 4.340 0.001 0.000 0.216 228 R C 1.302 177.477 176.300 -0.208 0.000 1.114 228 R CA 0.753 56.752 56.100 -0.168 0.000 1.002 228 R CB -0.135 30.009 30.300 -0.260 0.000 0.903 228 R HN 0.328 nan 8.270 nan 0.000 0.445 229 Y N 0.423 120.741 120.300 0.029 0.000 2.471 229 Y HA 0.217 4.768 4.550 0.001 0.000 0.286 229 Y C 1.864 177.776 175.900 0.020 0.000 1.188 229 Y CA -0.133 57.947 58.100 -0.034 0.000 1.286 229 Y CB -0.039 38.469 38.460 0.080 0.000 1.072 229 Y HN 0.121 nan 8.280 nan 0.000 0.517 230 A N -0.150 122.738 122.820 0.114 0.000 2.016 230 A HA -0.075 4.246 4.320 0.001 0.000 0.217 230 A C 2.102 179.712 177.584 0.044 0.000 1.162 230 A CA 1.092 53.176 52.037 0.078 0.000 0.662 230 A CB -0.072 18.953 19.000 0.042 0.000 0.812 230 A HN 0.337 nan 8.150 nan 0.000 0.450 231 K N -0.236 120.162 120.400 -0.003 0.000 2.141 231 K HA 0.070 4.390 4.320 0.001 0.000 0.202 231 K C 1.784 178.350 176.600 -0.056 0.000 1.045 231 K CA 0.877 57.150 56.287 -0.024 0.000 0.971 231 K CB -0.102 32.373 32.500 -0.041 0.000 0.795 231 K HN 0.241 nan 8.250 nan 0.000 0.459 232 K N 0.142 120.446 120.400 -0.159 0.000 2.280 232 K HA -0.083 4.238 4.320 0.001 0.000 0.202 232 K C 1.113 177.505 176.600 -0.346 0.000 1.047 232 K CA 1.194 57.296 56.287 -0.309 0.000 0.942 232 K CB 0.024 32.229 32.500 -0.491 0.000 0.739 232 K HN 0.072 nan 8.250 nan 0.000 0.457 233 F N -0.552 119.436 119.950 0.063 0.000 2.706 233 F HA 0.263 4.790 4.527 0.000 0.000 0.308 233 F C 1.004 176.826 175.800 0.036 0.000 1.095 233 F CA -0.267 57.758 58.000 0.042 0.000 1.244 233 F CB 0.525 39.518 39.000 -0.010 0.000 1.063 233 F HN 0.017 nan 8.300 nan 0.000 0.582 234 G N 1.896 110.787 108.800 0.153 0.000 2.333 234 G HA2 -0.137 3.824 3.960 0.001 0.000 0.296 234 G HA3 -0.137 3.824 3.960 0.001 0.000 0.296 234 G C -0.632 174.316 174.900 0.079 0.000 1.059 234 G CA 0.250 45.407 45.100 0.096 0.000 1.050 234 G HN 0.202 nan 8.290 nan 0.000 0.508 235 V N 0.621 120.572 119.914 0.063 0.000 2.733 235 V HA 0.413 4.533 4.120 0.001 0.000 0.306 235 V C 0.101 176.195 176.094 -0.000 0.000 1.084 235 V CA -0.620 61.686 62.300 0.010 0.000 0.905 235 V CB 2.084 33.879 31.823 -0.048 0.000 1.010 235 V HN 0.715 nan 8.190 nan 0.000 0.424 236 D N 3.068 123.460 120.400 -0.012 0.000 2.583 236 D HA -0.062 4.578 4.640 0.001 0.000 0.232 236 D C 1.162 177.454 176.300 -0.013 0.000 1.128 236 D CA 0.063 54.058 54.000 -0.010 0.000 0.859 236 D CB 0.655 41.446 40.800 -0.014 0.000 1.169 236 D HN 0.760 nan 8.370 nan 0.000 0.481 237 K N 1.923 122.324 120.400 0.003 0.000 2.360 237 K HA -0.205 4.115 4.320 0.001 0.000 0.201 237 K C 1.736 178.342 176.600 0.009 0.000 1.046 237 K CA 0.898 57.195 56.287 0.015 0.000 0.945 237 K CB -0.145 32.371 32.500 0.026 0.000 0.750 237 K HN 0.437 nan 8.250 nan 0.000 0.464 238 A N 2.343 125.161 122.820 -0.003 0.000 1.877 238 A HA -0.194 4.126 4.320 0.001 0.000 0.216 238 A C 2.179 179.752 177.584 -0.019 0.000 1.186 238 A CA 1.843 53.877 52.037 -0.006 0.000 0.620 238 A CB -0.460 18.533 19.000 -0.011 0.000 0.822 238 A HN 0.443 nan 8.150 nan 0.000 0.443 239 K N -1.722 118.651 120.400 -0.045 0.000 2.243 239 K HA 0.030 4.350 4.320 0.001 0.000 0.201 239 K C 1.905 178.430 176.600 -0.126 0.000 1.051 239 K CA 1.046 57.282 56.287 -0.085 0.000 0.970 239 K CB -0.119 32.315 32.500 -0.111 0.000 0.755 239 K HN 0.339 nan 8.250 nan 0.000 0.465 240 M N 0.810 120.352 119.600 -0.096 0.000 2.229 240 M HA -0.035 4.445 4.480 0.001 0.000 0.264 240 M C 1.765 178.058 176.300 -0.013 0.000 1.063 240 M CA 1.523 56.761 55.300 -0.103 0.000 1.114 240 M CB 0.001 32.591 32.600 -0.017 0.000 1.387 240 M HN 0.157 nan 8.290 nan 0.000 0.420 241 M N -0.702 118.924 119.600 0.043 0.000 2.117 241 M HA -0.210 4.271 4.480 0.001 0.000 0.262 241 M C 1.882 178.259 176.300 0.130 0.000 1.065 241 M CA 1.664 57.036 55.300 0.119 0.000 1.114 241 M CB -0.704 31.960 32.600 0.106 0.000 1.361 241 M HN 0.274 nan 8.290 nan 0.000 0.408 242 D N 0.518 120.951 120.400 0.055 0.000 2.092 242 D HA -0.165 4.475 4.640 0.001 0.000 0.193 242 D C 1.975 178.326 176.300 0.085 0.000 0.994 242 D CA 1.570 55.606 54.000 0.061 0.000 0.828 242 D CB -0.012 40.785 40.800 -0.004 0.000 0.963 242 D HN 0.293 nan 8.370 nan 0.000 0.450 243 R N -0.097 120.390 120.500 -0.021 0.000 2.073 243 R HA -0.057 4.283 4.340 0.001 0.000 0.234 243 R C 2.725 179.135 176.300 0.183 0.000 1.134 243 R CA 0.717 56.804 56.100 -0.021 0.000 0.952 243 R CB -0.414 29.632 30.300 -0.424 0.000 0.850 243 R HN 0.256 nan 8.270 nan 0.000 0.433 244 L N -0.417 120.950 121.223 0.240 0.000 2.010 244 L HA -0.231 4.110 4.340 0.001 0.000 0.219 244 L C 1.490 178.690 176.870 0.550 0.000 1.077 244 L CA 1.106 56.202 54.840 0.427 0.000 0.773 244 L CB -0.492 41.852 42.059 0.476 0.000 0.892 244 L HN 0.357 nan 8.230 nan 0.000 0.436 245 W N 0.488 121.967 121.300 0.297 0.000 2.448 245 W HA 0.437 5.097 4.660 0.001 0.000 0.339 245 W C 0.473 177.076 176.519 0.140 0.000 1.124 245 W CA 0.546 58.030 57.345 0.231 0.000 1.262 245 W CB 1.073 30.642 29.460 0.182 0.000 1.251 245 W HN 0.238 nan 8.180 nan 0.000 0.597 246 G N 3.392 111.972 108.800 -0.366 0.000 2.660 246 G HA2 -0.246 3.714 3.960 0.001 0.000 0.215 246 G HA3 -0.246 3.714 3.960 0.001 0.000 0.215 246 G C -0.733 174.023 174.900 -0.240 0.000 1.345 246 G CA -0.492 44.508 45.100 -0.168 0.000 0.877 246 G HN 0.489 nan 8.290 nan 0.000 0.549 247 D N 1.614 121.907 120.400 -0.178 0.000 2.545 247 D HA 0.454 5.094 4.640 0.001 0.000 0.227 247 D C 0.019 176.056 176.300 -0.439 0.000 1.150 247 D CA 0.862 54.664 54.000 -0.330 0.000 1.046 247 D CB 0.080 40.857 40.800 -0.038 0.000 1.098 247 D HN 0.518 nan 8.370 nan 0.000 0.502 248 S N 1.524 116.801 115.700 -0.705 0.000 2.677 248 S HA 0.516 4.986 4.470 0.001 0.000 0.283 248 S C -0.597 173.715 174.600 -0.480 0.000 1.159 248 S CA -0.725 57.275 58.200 -0.335 0.000 1.001 248 S CB 0.942 64.181 63.200 0.064 0.000 1.032 248 S HN 0.121 nan 8.310 nan 0.000 0.487 249 F N 1.493 121.557 119.950 0.190 0.000 2.579 249 F HA 0.694 5.222 4.527 0.001 0.000 0.324 249 F C -0.544 175.170 175.800 -0.143 0.000 1.058 249 F CA -1.201 56.798 58.000 -0.001 0.000 0.944 249 F CB 1.105 40.063 39.000 -0.071 0.000 1.245 249 F HN 0.520 nan 8.300 nan 0.000 0.477 250 F N 2.649 122.380 119.950 -0.366 0.000 2.676 250 F HA 0.362 4.889 4.527 0.000 0.000 0.371 250 F C -0.239 175.309 175.800 -0.420 0.000 1.141 250 F CA -0.918 56.658 58.000 -0.707 0.000 1.133 250 F CB 0.297 38.620 39.000 -1.130 0.000 1.376 250 F HN 0.385 nan 8.300 nan 0.000 0.491 251 N N 6.947 125.279 118.700 -0.613 0.000 2.427 251 N HA 0.099 4.839 4.740 0.001 0.000 0.269 251 N C -1.905 173.225 175.510 -0.633 0.000 1.235 251 N CA -1.361 51.395 53.050 -0.490 0.000 0.934 251 N CB 1.379 39.658 38.487 -0.346 0.000 1.121 251 N HN 0.299 nan 8.380 nan 0.000 0.480 252 P HA -0.078 nan 4.420 nan 0.000 0.225 252 P C 0.513 177.664 177.300 -0.248 0.000 1.148 252 P CA 1.280 64.194 63.100 -0.311 0.000 0.779 252 P CB 0.430 32.022 31.700 -0.180 0.000 0.780 253 K N -1.031 119.223 120.400 -0.244 0.000 2.078 253 K HA -0.003 4.318 4.320 0.001 0.000 0.203 253 K C 2.115 178.607 176.600 -0.180 0.000 1.043 253 K CA 1.811 57.993 56.287 -0.174 0.000 0.960 253 K CB -0.874 31.539 32.500 -0.145 0.000 0.761 253 K HN 0.179 nan 8.250 nan 0.000 0.448 254 T N -0.751 113.669 114.554 -0.223 0.000 3.023 254 T HA -0.001 4.350 4.350 0.001 0.000 0.266 254 T C 0.660 175.225 174.700 -0.224 0.000 1.093 254 T CA 0.355 62.342 62.100 -0.189 0.000 1.129 254 T CB -0.029 68.736 68.868 -0.173 0.000 0.899 254 T HN -0.010 nan 8.240 nan 0.000 0.491 255 K N 0.805 120.962 120.400 -0.405 0.000 3.129 255 K HA -0.107 4.214 4.320 0.001 0.000 0.273 255 K C -0.682 175.725 176.600 -0.323 0.000 1.123 255 K CA 0.825 56.835 56.287 -0.463 0.000 0.800 255 K CB -1.724 30.702 32.500 -0.124 0.000 1.238 255 K HN 0.636 nan 8.250 nan 0.000 0.492 256 K N -0.560 119.603 120.400 -0.395 0.000 2.498 256 K HA 0.328 4.649 4.320 0.001 0.000 0.254 256 K C -0.474 176.097 176.600 -0.047 0.000 0.933 256 K CA -0.795 55.459 56.287 -0.056 0.000 0.806 256 K CB 1.090 33.599 32.500 0.017 0.000 1.301 256 K HN -0.075 nan 8.250 nan 0.000 0.432 257 W N 1.426 122.806 121.300 0.133 0.000 2.190 257 W HA 0.212 4.872 4.660 0.001 0.000 0.330 257 W C 0.270 176.849 176.519 0.100 0.000 1.299 257 W CA 0.402 57.852 57.345 0.175 0.000 1.215 257 W CB 0.926 30.489 29.460 0.173 0.000 1.147 257 W HN 0.364 nan 8.180 nan 0.000 0.563 258 T N 2.221 116.975 114.554 0.334 0.000 2.864 258 T HA 0.201 4.552 4.350 0.001 0.000 0.299 258 T C 0.174 175.071 174.700 0.330 0.000 1.166 258 T CA -0.956 61.293 62.100 0.249 0.000 1.007 258 T CB 1.538 70.490 68.868 0.140 0.000 1.219 258 T HN 0.293 nan 8.240 nan 0.000 0.506 259 N N 0.749 119.603 118.700 0.256 0.000 2.235 259 N HA 0.138 4.879 4.740 0.001 0.000 0.209 259 N C -0.414 175.294 175.510 0.332 0.000 1.122 259 N CA 0.070 53.283 53.050 0.272 0.000 0.845 259 N CB 0.619 39.198 38.487 0.154 0.000 1.004 259 N HN 0.393 nan 8.380 nan 0.000 0.499 260 K N 0.996 121.552 120.400 0.260 0.000 2.206 260 K HA 0.113 4.434 4.320 0.001 0.000 0.264 260 K C -0.134 176.270 176.600 -0.326 0.000 0.967 260 K CA -0.537 55.781 56.287 0.052 0.000 0.844 260 K CB 1.253 33.740 32.500 -0.022 0.000 1.099 260 K HN 0.026 nan 8.250 nan 0.000 0.441 261 D N 0.452 120.569 120.400 -0.471 0.000 2.346 261 D HA -0.016 4.624 4.640 0.001 0.000 0.248 261 D C -0.560 175.385 176.300 -0.592 0.000 1.173 261 D CA 0.002 53.405 54.000 -0.995 0.000 0.878 261 D CB 0.303 40.824 40.800 -0.465 0.000 0.919 261 D HN 0.122 nan 8.370 nan 0.000 0.513 262 T N -0.030 114.273 114.554 -0.417 0.000 3.193 262 T HA 0.096 4.447 4.350 0.001 0.000 0.332 262 T C -1.365 173.213 174.700 -0.203 0.000 1.208 262 T CA -0.975 60.966 62.100 -0.265 0.000 1.080 262 T CB 2.166 70.927 68.868 -0.179 0.000 1.180 262 T HN 0.168 nan 8.240 nan 0.000 0.469 263 D N 1.728 122.018 120.400 -0.183 0.000 2.360 263 D HA 0.294 4.934 4.640 0.001 0.000 0.242 263 D C 1.549 177.785 176.300 -0.108 0.000 1.184 263 D CA 0.012 53.925 54.000 -0.143 0.000 0.930 263 D CB 1.451 42.165 40.800 -0.143 0.000 1.161 263 D HN 0.556 nan 8.370 nan 0.000 0.447 264 A N 2.660 125.427 122.820 -0.089 0.000 1.927 264 A HA -0.234 4.086 4.320 0.001 0.000 0.220 264 A C 1.787 179.332 177.584 -0.065 0.000 1.185 264 A CA 1.701 53.697 52.037 -0.069 0.000 0.639 264 A CB -0.523 18.442 19.000 -0.059 0.000 0.820 264 A HN 0.777 nan 8.150 nan 0.000 0.451 265 E N -1.708 118.449 120.200 -0.071 0.000 2.502 265 E HA 0.267 4.618 4.350 0.001 0.000 0.194 265 E C 0.977 177.536 176.600 -0.068 0.000 1.062 265 E CA 0.268 56.629 56.400 -0.064 0.000 0.867 265 E CB -0.146 29.516 29.700 -0.063 0.000 0.888 265 E HN 0.824 nan 8.360 nan 0.000 0.510 266 G N 2.186 110.938 108.800 -0.080 0.000 2.130 266 G HA2 -0.258 3.702 3.960 0.001 0.000 0.216 266 G HA3 -0.258 3.702 3.960 0.001 0.000 0.216 266 G C -0.146 174.695 174.900 -0.098 0.000 0.999 266 G CA -0.292 44.758 45.100 -0.084 0.000 0.686 266 G HN 0.113 nan 8.290 nan 0.000 0.515 267 K N 0.946 121.279 120.400 -0.112 0.000 2.201 267 K HA 0.447 4.767 4.320 0.001 0.000 0.278 267 K C -2.557 173.946 176.600 -0.162 0.000 1.027 267 K CA -1.902 54.311 56.287 -0.123 0.000 0.909 267 K CB 1.428 33.857 32.500 -0.118 0.000 1.062 267 K HN 0.006 nan 8.250 nan 0.000 0.465 268 P HA 0.035 nan 4.420 nan 0.000 0.267 268 P C -0.775 176.384 177.300 -0.236 0.000 1.209 268 P CA 0.188 63.166 63.100 -0.203 0.000 0.763 268 P CB 0.468 32.074 31.700 -0.158 0.000 0.816 269 L N 2.428 123.445 121.223 -0.342 0.000 2.322 269 L HA 0.387 4.727 4.340 0.001 0.000 0.279 269 L C 0.949 177.671 176.870 -0.247 0.000 1.036 269 L CA -0.773 53.871 54.840 -0.327 0.000 0.807 269 L CB 1.280 43.090 42.059 -0.414 0.000 1.226 269 L HN 0.344 nan 8.230 nan 0.000 0.433 270 E N 2.893 123.015 120.200 -0.130 0.000 2.313 270 E HA 0.147 4.497 4.350 0.001 0.000 0.276 270 E C -0.212 176.456 176.600 0.113 0.000 1.031 270 E CA -0.601 55.758 56.400 -0.068 0.000 0.857 270 E CB 1.067 30.667 29.700 -0.166 0.000 1.040 270 E HN 0.371 nan 8.360 nan 0.000 0.408 271 R N 2.468 123.031 120.500 0.105 0.000 2.734 271 R HA 0.051 4.391 4.340 0.001 0.000 0.266 271 R C 0.798 177.034 176.300 -0.106 0.000 1.044 271 R CA 0.680 56.767 56.100 -0.023 0.000 1.128 271 R CB 0.580 30.695 30.300 -0.309 0.000 1.010 271 R HN 0.726 nan 8.270 nan 0.000 0.461 272 A N 4.026 126.815 122.820 -0.052 0.000 1.972 272 A HA -0.189 4.131 4.320 0.001 0.000 0.219 272 A C 1.758 179.495 177.584 0.256 0.000 1.169 272 A CA 1.195 53.365 52.037 0.222 0.000 0.635 272 A CB -0.501 18.822 19.000 0.539 0.000 0.810 272 A HN 0.836 nan 8.150 nan 0.000 0.446 273 F N 1.213 121.150 119.950 -0.023 0.000 2.149 273 F HA -0.095 4.432 4.527 0.000 0.000 0.294 273 F C 1.868 177.626 175.800 -0.070 0.000 1.095 273 F CA 1.889 59.905 58.000 0.026 0.000 1.276 273 F CB -0.222 38.798 39.000 0.033 0.000 1.023 273 F HN 0.251 nan 8.300 nan 0.000 0.480 274 N N -0.198 118.474 118.700 -0.047 0.000 2.244 274 N HA -0.170 4.571 4.740 0.001 0.000 0.183 274 N C 1.775 177.112 175.510 -0.289 0.000 1.016 274 N CA 1.508 54.456 53.050 -0.170 0.000 0.866 274 N CB -0.349 38.021 38.487 -0.195 0.000 0.980 274 N HN 0.367 nan 8.380 nan 0.000 0.430 275 M N -1.415 117.975 119.600 -0.350 0.000 2.435 275 M HA 0.134 4.614 4.480 0.001 0.000 0.265 275 M C 0.404 176.333 176.300 -0.618 0.000 1.104 275 M CA 1.095 56.077 55.300 -0.530 0.000 1.140 275 M CB 0.257 32.425 32.600 -0.720 0.000 1.372 275 M HN 0.003 nan 8.290 nan 0.000 0.456 276 F N -0.785 118.992 119.950 -0.289 0.000 2.602 276 F HA 0.143 4.670 4.527 0.001 0.000 0.284 276 F C 1.741 177.277 175.800 -0.441 0.000 1.111 276 F CA 0.242 58.021 58.000 -0.368 0.000 1.405 276 F CB 0.066 38.801 39.000 -0.441 0.000 1.121 276 F HN 0.007 nan 8.300 nan 0.000 0.603 277 I N -0.770 119.548 120.570 -0.421 0.000 3.136 277 I HA 0.042 4.212 4.170 0.001 0.000 0.262 277 I C 2.122 177.898 176.117 -0.569 0.000 1.132 277 I CA 0.791 61.630 61.300 -0.769 0.000 1.450 277 I CB -1.266 36.056 38.000 -1.130 0.000 1.315 277 I HN 0.045 nan 8.210 nan 0.000 0.460 278 L N 0.692 121.644 121.223 -0.452 0.000 2.156 278 L HA -0.156 4.184 4.340 0.001 0.000 0.208 278 L C 2.199 178.992 176.870 -0.128 0.000 1.095 278 L CA 1.261 56.004 54.840 -0.163 0.000 0.770 278 L CB -0.444 41.548 42.059 -0.111 0.000 0.914 278 L HN 0.226 nan 8.230 nan 0.000 0.439 279 D N 0.137 120.396 120.400 -0.235 0.000 2.084 279 D HA -0.138 4.503 4.640 0.001 0.000 0.194 279 D C -0.608 175.650 176.300 -0.071 0.000 0.990 279 D CA 1.430 55.320 54.000 -0.183 0.000 0.826 279 D CB -0.690 39.977 40.800 -0.222 0.000 0.971 279 D HN 0.090 nan 8.370 nan 0.000 0.453 280 P HA -0.070 nan 4.420 nan 0.000 0.215 280 P C 1.477 178.706 177.300 -0.118 0.000 1.157 280 P CA 1.103 64.151 63.100 -0.086 0.000 0.863 280 P CB -0.066 31.603 31.700 -0.052 0.000 0.787 281 I N -2.867 117.652 120.570 -0.085 0.000 2.394 281 I HA -0.207 3.963 4.170 0.001 0.000 0.251 281 I C 2.068 178.100 176.117 -0.143 0.000 1.136 281 I CA 1.216 62.437 61.300 -0.131 0.000 1.425 281 I CB -0.628 37.275 38.000 -0.162 0.000 1.079 281 I HN -0.152 nan 8.210 nan 0.000 0.425 282 F N 1.597 121.406 119.950 -0.236 0.000 2.146 282 F HA -0.135 4.393 4.527 0.000 0.000 0.298 282 F C 2.580 178.343 175.800 -0.060 0.000 1.096 282 F CA 1.359 59.247 58.000 -0.186 0.000 1.275 282 F CB -0.290 38.625 39.000 -0.141 0.000 1.008 282 F HN -0.063 nan 8.300 nan 0.000 0.480 283 R N 0.142 120.708 120.500 0.110 0.000 2.148 283 R HA -0.051 4.290 4.340 0.001 0.000 0.227 283 R C 2.275 178.589 176.300 0.023 0.000 1.103 283 R CA 0.780 56.910 56.100 0.051 0.000 0.983 283 R CB -1.323 28.981 30.300 0.007 0.000 0.874 283 R HN 0.353 nan 8.270 nan 0.000 0.451 284 L N -0.603 120.629 121.223 0.015 0.000 2.056 284 L HA -0.072 4.269 4.340 0.001 0.000 0.207 284 L C 2.176 179.071 176.870 0.042 0.000 1.078 284 L CA 1.258 56.093 54.840 -0.009 0.000 0.749 284 L CB -0.373 41.638 42.059 -0.080 0.000 0.901 284 L HN 0.050 nan 8.230 nan 0.000 0.433 285 F N -0.516 119.326 119.950 -0.181 0.000 2.186 285 F HA -0.189 4.338 4.527 0.000 0.000 0.299 285 F C 2.547 178.256 175.800 -0.151 0.000 1.090 285 F CA 1.218 59.109 58.000 -0.181 0.000 1.307 285 F CB -0.383 38.465 39.000 -0.254 0.000 1.019 285 F HN 0.007 nan 8.300 nan 0.000 0.489 286 T N -0.581 114.018 114.554 0.076 0.000 2.904 286 T HA -0.053 4.297 4.350 0.001 0.000 0.267 286 T C 2.067 176.753 174.700 -0.024 0.000 1.059 286 T CA 1.078 63.190 62.100 0.021 0.000 1.137 286 T CB -0.247 68.650 68.868 0.047 0.000 0.879 286 T HN 0.295 nan 8.240 nan 0.000 0.467 287 A N 0.593 123.395 122.820 -0.030 0.000 1.984 287 A HA 0.283 4.604 4.320 0.001 0.000 0.214 287 A C 2.159 179.692 177.584 -0.086 0.000 1.173 287 A CA 0.403 52.413 52.037 -0.045 0.000 0.673 287 A CB -0.353 18.627 19.000 -0.032 0.000 0.830 287 A HN 0.456 nan 8.150 nan 0.000 0.453 288 I N -0.652 119.843 120.570 -0.125 0.000 2.333 288 I HA -0.169 4.001 4.170 0.001 0.000 0.246 288 I C 2.446 178.371 176.117 -0.321 0.000 1.106 288 I CA 0.793 61.988 61.300 -0.176 0.000 1.411 288 I CB -0.221 37.663 38.000 -0.193 0.000 1.082 288 I HN 0.215 nan 8.210 nan 0.000 0.420 289 M N 0.416 119.819 119.600 -0.329 0.000 2.132 289 M HA -0.146 4.334 4.480 0.001 0.000 0.263 289 M C 1.466 177.350 176.300 -0.693 0.000 1.065 289 M CA 1.699 56.720 55.300 -0.465 0.000 1.122 289 M CB -1.539 30.911 32.600 -0.250 0.000 1.365 289 M HN 0.169 nan 8.290 nan 0.000 0.411 290 N N -0.224 118.251 118.700 -0.374 0.000 2.515 290 N HA 0.027 4.767 4.740 0.001 0.000 0.191 290 N C -0.429 175.032 175.510 -0.082 0.000 1.182 290 N CA 0.074 52.995 53.050 -0.216 0.000 0.879 290 N CB -0.512 37.938 38.487 -0.062 0.000 0.984 290 N HN 0.163 nan 8.380 nan 0.000 0.453 291 F N -0.772 119.173 119.950 -0.008 0.000 3.100 291 F HA -0.301 4.226 4.527 0.000 0.000 0.284 291 F C 0.031 175.826 175.800 -0.007 0.000 0.875 291 F CA 0.303 58.298 58.000 -0.009 0.000 1.039 291 F CB -2.260 36.736 39.000 -0.006 0.000 1.111 291 F HN 0.032 nan 8.300 nan 0.000 0.575 292 K N 1.043 121.495 120.400 0.087 0.000 2.095 292 K HA 0.082 4.402 4.320 0.001 0.000 0.258 292 K C 1.111 177.741 176.600 0.050 0.000 1.120 292 K CA -0.090 56.232 56.287 0.060 0.000 1.026 292 K CB 0.168 32.682 32.500 0.024 0.000 1.256 292 K HN 0.384 nan 8.250 nan 0.000 0.360 293 K N 0.898 121.336 120.400 0.063 0.000 2.362 293 K HA -0.103 4.218 4.320 0.001 0.000 0.200 293 K C 0.672 177.289 176.600 0.027 0.000 1.046 293 K CA 0.766 57.081 56.287 0.047 0.000 0.952 293 K CB 0.206 32.735 32.500 0.047 0.000 0.753 293 K HN 0.392 nan 8.250 nan 0.000 0.466 294 D N 1.004 121.418 120.400 0.024 0.000 2.289 294 D HA -0.066 4.574 4.640 0.001 0.000 0.207 294 D C 1.333 177.639 176.300 0.010 0.000 0.966 294 D CA 0.967 54.977 54.000 0.015 0.000 0.868 294 D CB 0.364 41.173 40.800 0.015 0.000 0.943 294 D HN 0.366 nan 8.370 nan 0.000 0.514 295 E N 0.093 120.298 120.200 0.008 0.000 2.175 295 E HA 0.092 4.442 4.350 0.001 0.000 0.195 295 E C 2.313 178.908 176.600 -0.007 0.000 0.934 295 E CA -0.159 56.241 56.400 -0.000 0.000 0.870 295 E CB 0.390 30.088 29.700 -0.003 0.000 0.838 295 E HN 0.116 nan 8.360 nan 0.000 0.474 296 I N 2.836 123.402 120.570 -0.007 0.000 2.103 296 I HA -0.294 3.876 4.170 0.001 0.000 0.241 296 I C -0.531 175.578 176.117 -0.014 0.000 1.036 296 I CA 1.648 62.939 61.300 -0.015 0.000 1.300 296 I CB -1.646 36.350 38.000 -0.006 0.000 1.010 296 I HN 0.156 nan 8.210 nan 0.000 0.406 297 P HA -0.117 nan 4.420 nan 0.000 0.213 297 P C 1.967 179.265 177.300 -0.004 0.000 1.170 297 P CA 1.670 64.769 63.100 -0.001 0.000 0.898 297 P CB -0.205 31.497 31.700 0.004 0.000 0.787 298 V N -0.049 119.864 119.914 -0.002 0.000 2.469 298 V HA -0.206 3.914 4.120 0.001 0.000 0.251 298 V C 2.717 178.807 176.094 -0.008 0.000 1.064 298 V CA 1.521 63.820 62.300 -0.002 0.000 1.066 298 V CB -1.372 30.451 31.823 0.000 0.000 0.667 298 V HN 0.014 nan 8.190 nan 0.000 0.461 299 L N -0.831 120.382 121.223 -0.017 0.000 2.109 299 L HA -0.005 4.335 4.340 0.001 0.000 0.207 299 L C 2.072 178.915 176.870 -0.045 0.000 1.086 299 L CA 1.685 56.505 54.840 -0.033 0.000 0.760 299 L CB -0.460 41.573 42.059 -0.044 0.000 0.910 299 L HN 0.151 nan 8.230 nan 0.000 0.437 300 L N -0.336 120.865 121.223 -0.036 0.000 2.093 300 L HA -0.141 4.200 4.340 0.001 0.000 0.208 300 L C 2.533 179.398 176.870 -0.008 0.000 1.085 300 L CA 1.677 56.498 54.840 -0.032 0.000 0.755 300 L CB -0.893 41.155 42.059 -0.019 0.000 0.904 300 L HN 0.458 nan 8.230 nan 0.000 0.435 301 E N -0.115 120.084 120.200 -0.001 0.000 2.047 301 E HA -0.271 4.079 4.350 0.001 0.000 0.191 301 E C 2.228 178.837 176.600 0.015 0.000 0.987 301 E CA 1.070 57.476 56.400 0.009 0.000 0.799 301 E CB -0.000 29.705 29.700 0.009 0.000 0.752 301 E HN 0.358 nan 8.360 nan 0.000 0.449 302 K N 0.299 120.705 120.400 0.011 0.000 2.147 302 K HA -0.103 4.217 4.320 0.001 0.000 0.205 302 K C 1.821 178.442 176.600 0.034 0.000 1.049 302 K CA 1.015 57.314 56.287 0.021 0.000 0.936 302 K CB 0.017 32.529 32.500 0.020 0.000 0.722 302 K HN 0.229 nan 8.250 nan 0.000 0.446 303 L N 0.442 121.683 121.223 0.030 0.000 2.592 303 L HA 0.098 4.438 4.340 0.001 0.000 0.227 303 L C 0.259 177.195 176.870 0.110 0.000 1.127 303 L CA 0.101 54.986 54.840 0.076 0.000 0.884 303 L CB -0.062 41.998 42.059 0.002 0.000 1.065 303 L HN 0.338 nan 8.230 nan 0.000 0.457 304 E N 1.612 121.850 120.200 0.065 0.000 2.358 304 E HA -0.218 4.132 4.350 0.001 0.000 0.246 304 E C -0.492 176.155 176.600 0.079 0.000 1.127 304 E CA 0.032 56.469 56.400 0.061 0.000 0.726 304 E CB -0.978 28.756 29.700 0.056 0.000 1.272 304 E HN 0.472 nan 8.360 nan 0.000 0.390 305 I N 2.158 122.767 120.570 0.064 0.000 2.428 305 I HA 0.220 4.390 4.170 0.001 0.000 0.279 305 I C 0.404 176.546 176.117 0.042 0.000 1.040 305 I CA -0.986 60.355 61.300 0.069 0.000 1.171 305 I CB 1.271 39.308 38.000 0.061 0.000 1.312 305 I HN 0.051 nan 8.210 nan 0.000 0.470 306 V N 5.374 125.314 119.914 0.042 0.000 2.383 306 V HA 0.520 4.640 4.120 0.001 0.000 0.275 306 V C 0.036 176.149 176.094 0.032 0.000 1.036 306 V CA -0.657 61.661 62.300 0.031 0.000 0.889 306 V CB 1.087 32.926 31.823 0.027 0.000 0.985 306 V HN 0.475 nan 8.190 nan 0.000 0.459 307 L N 4.500 125.739 121.223 0.026 0.000 2.418 307 L HA 0.492 4.832 4.340 0.001 0.000 0.265 307 L C 0.971 177.855 176.870 0.023 0.000 1.143 307 L CA -0.636 54.220 54.840 0.025 0.000 0.809 307 L CB 0.812 42.883 42.059 0.020 0.000 1.124 307 L HN 0.558 nan 8.230 nan 0.000 0.456 308 K N 2.378 122.792 120.400 0.024 0.000 3.226 308 K HA 0.181 4.501 4.320 0.001 0.000 0.268 308 K C 0.957 177.568 176.600 0.017 0.000 1.217 308 K CA 0.544 56.843 56.287 0.021 0.000 1.242 308 K CB -0.148 32.366 32.500 0.023 0.000 1.389 308 K HN 0.954 nan 8.250 nan 0.000 0.406 309 G N 1.786 110.595 108.800 0.016 0.000 5.431 309 G HA2 -0.470 3.490 3.960 0.001 0.000 0.322 309 G HA3 -0.470 3.490 3.960 0.001 0.000 0.322 309 G C 1.081 175.989 174.900 0.013 0.000 1.370 309 G CA 0.588 45.697 45.100 0.013 0.000 0.963 309 G HN 0.470 nan 8.290 nan 0.000 0.797 310 D N 1.729 122.137 120.400 0.013 0.000 2.265 310 D HA -0.007 4.633 4.640 0.001 0.000 0.208 310 D C 2.204 178.513 176.300 0.015 0.000 0.977 310 D CA 1.724 55.731 54.000 0.013 0.000 0.871 310 D CB -0.302 40.505 40.800 0.013 0.000 0.925 310 D HN 0.721 nan 8.370 nan 0.000 0.485 311 E N -0.764 119.446 120.200 0.017 0.000 2.489 311 E HA -0.018 4.332 4.350 0.001 0.000 0.193 311 E C 1.760 178.370 176.600 0.017 0.000 1.057 311 E CA 0.023 56.434 56.400 0.019 0.000 0.866 311 E CB 0.369 30.082 29.700 0.022 0.000 0.916 311 E HN 0.152 nan 8.360 nan 0.000 0.500 312 K N 1.150 121.560 120.400 0.016 0.000 2.044 312 K HA -0.112 4.208 4.320 0.001 0.000 0.204 312 K C 1.590 178.202 176.600 0.019 0.000 1.049 312 K CA 1.498 57.795 56.287 0.016 0.000 0.945 312 K CB -0.239 32.269 32.500 0.014 0.000 0.724 312 K HN 0.242 nan 8.250 nan 0.000 0.440 313 D N 0.477 120.888 120.400 0.018 0.000 2.371 313 D HA -0.078 4.563 4.640 0.001 0.000 0.221 313 D C 0.601 176.919 176.300 0.029 0.000 0.986 313 D CA 0.194 54.206 54.000 0.019 0.000 0.899 313 D CB -0.335 40.472 40.800 0.012 0.000 0.902 313 D HN 0.015 nan 8.370 nan 0.000 0.530 314 L N 0.951 122.192 121.223 0.029 0.000 2.490 314 L HA 0.198 4.539 4.340 0.001 0.000 0.274 314 L C 0.649 177.557 176.870 0.063 0.000 1.201 314 L CA 0.535 55.397 54.840 0.038 0.000 0.869 314 L CB 0.404 42.477 42.059 0.025 0.000 1.123 314 L HN 0.140 nan 8.230 nan 0.000 0.484 315 E N 1.082 121.344 120.200 0.104 0.000 2.445 315 E HA 0.627 4.977 4.350 0.001 0.000 0.273 315 E C 0.118 176.844 176.600 0.210 0.000 0.961 315 E CA -0.459 56.065 56.400 0.207 0.000 0.807 315 E CB 1.839 31.760 29.700 0.368 0.000 1.362 315 E HN 0.691 nan 8.360 nan 0.000 0.453 316 G N 1.058 109.963 108.800 0.174 0.000 2.601 316 G HA2 -0.376 3.584 3.960 0.001 0.000 0.261 316 G HA3 -0.376 3.584 3.960 0.001 0.000 0.261 316 G C 0.453 175.317 174.900 -0.060 0.000 1.289 316 G CA 0.477 45.573 45.100 -0.007 0.000 0.920 316 G HN 0.559 nan 8.290 nan 0.000 0.571 317 K N 0.456 120.831 120.400 -0.041 0.000 2.360 317 K HA 0.025 4.345 4.320 0.001 0.000 0.201 317 K C 2.906 179.473 176.600 -0.055 0.000 1.046 317 K CA 1.524 57.775 56.287 -0.061 0.000 0.940 317 K CB -0.303 32.172 32.500 -0.042 0.000 0.748 317 K HN 0.678 nan 8.250 nan 0.000 0.465 318 A N 1.043 123.853 122.820 -0.016 0.000 1.969 318 A HA -0.115 4.205 4.320 0.001 0.000 0.218 318 A C 2.015 179.593 177.584 -0.010 0.000 1.169 318 A CA 0.982 53.015 52.037 -0.006 0.000 0.635 318 A CB -0.213 18.799 19.000 0.020 0.000 0.810 318 A HN 0.237 nan 8.150 nan 0.000 0.445 319 L N -1.264 119.949 121.223 -0.017 0.000 2.162 319 L HA 0.121 4.461 4.340 0.001 0.000 0.205 319 L C 2.073 178.906 176.870 -0.063 0.000 1.086 319 L CA 1.349 56.173 54.840 -0.026 0.000 0.778 319 L CB -0.498 41.550 42.059 -0.018 0.000 0.928 319 L HN 0.268 nan 8.230 nan 0.000 0.446 320 L N -0.070 121.080 121.223 -0.121 0.000 2.046 320 L HA -0.175 4.166 4.340 0.001 0.000 0.208 320 L C 2.371 179.188 176.870 -0.089 0.000 1.077 320 L CA 1.814 56.526 54.840 -0.212 0.000 0.747 320 L CB -0.702 41.122 42.059 -0.392 0.000 0.896 320 L HN 0.242 nan 8.230 nan 0.000 0.432 321 K N -1.468 118.928 120.400 -0.008 0.000 2.283 321 K HA -0.074 4.246 4.320 0.001 0.000 0.202 321 K C 1.835 178.490 176.600 0.093 0.000 1.048 321 K CA 1.177 57.513 56.287 0.081 0.000 0.948 321 K CB -0.047 32.446 32.500 -0.011 0.000 0.742 321 K HN 0.265 nan 8.250 nan 0.000 0.458 322 V N 0.260 120.201 119.914 0.046 0.000 2.500 322 V HA -0.129 3.992 4.120 0.001 0.000 0.243 322 V C 2.064 178.200 176.094 0.070 0.000 1.039 322 V CA 0.987 63.322 62.300 0.057 0.000 1.053 322 V CB 0.137 31.980 31.823 0.034 0.000 0.695 322 V HN 0.013 nan 8.190 nan 0.000 0.463 323 V N -0.309 119.627 119.914 0.037 0.000 2.515 323 V HA -0.221 3.900 4.120 0.001 0.000 0.250 323 V C 2.442 178.606 176.094 0.118 0.000 1.058 323 V CA 1.534 63.857 62.300 0.039 0.000 1.064 323 V CB -0.528 31.270 31.823 -0.041 0.000 0.675 323 V HN 0.408 nan 8.190 nan 0.000 0.461 324 M N -0.764 118.915 119.600 0.131 0.000 2.349 324 M HA -0.022 4.458 4.480 0.001 0.000 0.266 324 M C 2.275 178.777 176.300 0.336 0.000 1.076 324 M CA 1.332 56.777 55.300 0.242 0.000 1.126 324 M CB -1.005 31.691 32.600 0.161 0.000 1.392 324 M HN 0.302 nan 8.290 nan 0.000 0.440 325 R N 0.440 121.095 120.500 0.260 0.000 2.070 325 R HA -0.130 4.210 4.340 0.001 0.000 0.233 325 R C 2.167 178.577 176.300 0.184 0.000 1.137 325 R CA 1.352 57.586 56.100 0.224 0.000 0.945 325 R CB -0.187 30.210 30.300 0.161 0.000 0.845 325 R HN 0.390 nan 8.270 nan 0.000 0.430 326 K N -0.461 120.040 120.400 0.169 0.000 2.167 326 K HA -0.078 4.242 4.320 0.001 0.000 0.203 326 K C 1.857 178.565 176.600 0.180 0.000 1.052 326 K CA 0.795 57.167 56.287 0.142 0.000 0.956 326 K CB -0.155 32.416 32.500 0.118 0.000 0.735 326 K HN 0.041 nan 8.250 nan 0.000 0.451 327 F N 1.342 121.335 119.950 0.072 0.000 2.075 327 F HA -0.021 4.506 4.527 0.001 0.000 0.297 327 F C 0.476 176.319 175.800 0.071 0.000 1.113 327 F CA 1.218 59.259 58.000 0.069 0.000 1.218 327 F CB 0.218 39.261 39.000 0.073 0.000 0.984 327 F HN -0.191 nan 8.300 nan 0.000 0.472 328 L N 1.312 122.523 121.223 -0.019 0.000 2.489 328 L HA 0.317 4.657 4.340 0.001 0.000 0.257 328 L C -2.595 174.368 176.870 0.155 0.000 1.215 328 L CA -1.945 52.849 54.840 -0.077 0.000 0.915 328 L CB 1.310 43.338 42.059 -0.052 0.000 1.146 328 L HN -0.181 nan 8.230 nan 0.000 0.494 329 P HA -0.014 nan 4.420 nan 0.000 0.258 329 P C 0.753 178.114 177.300 0.101 0.000 1.187 329 P CA 0.271 63.435 63.100 0.108 0.000 0.767 329 P CB 1.242 32.974 31.700 0.054 0.000 0.770 330 A N 5.373 128.269 122.820 0.127 0.000 1.908 330 A HA -0.199 4.121 4.320 0.001 0.000 0.218 330 A C 2.151 179.744 177.584 0.014 0.000 1.181 330 A CA 2.095 54.168 52.037 0.060 0.000 0.627 330 A CB -1.415 17.602 19.000 0.029 0.000 0.818 330 A HN 0.497 nan 8.150 nan 0.000 0.445 331 A N -0.007 122.828 122.820 0.025 0.000 1.978 331 A HA -0.188 4.132 4.320 0.001 0.000 0.220 331 A C 1.678 179.259 177.584 -0.004 0.000 1.170 331 A CA 2.075 54.118 52.037 0.011 0.000 0.636 331 A CB -0.624 18.392 19.000 0.026 0.000 0.810 331 A HN 0.530 nan 8.150 nan 0.000 0.448 332 D N -0.204 120.195 120.400 -0.001 0.000 2.137 332 D HA 0.122 4.763 4.640 0.001 0.000 0.202 332 D C 2.137 178.416 176.300 -0.036 0.000 0.970 332 D CA 1.241 55.229 54.000 -0.019 0.000 0.837 332 D CB -0.250 40.538 40.800 -0.020 0.000 0.981 332 D HN 0.413 nan 8.370 nan 0.000 0.475 333 A N 0.143 122.944 122.820 -0.031 0.000 2.070 333 A HA -0.061 4.259 4.320 0.001 0.000 0.220 333 A C 1.927 179.465 177.584 -0.076 0.000 1.159 333 A CA 0.875 52.884 52.037 -0.047 0.000 0.656 333 A CB -0.525 18.457 19.000 -0.030 0.000 0.800 333 A HN 0.227 nan 8.150 nan 0.000 0.453 334 L N -1.331 119.851 121.223 -0.068 0.000 2.529 334 L HA 0.163 4.504 4.340 0.001 0.000 0.223 334 L C 1.819 178.653 176.870 -0.061 0.000 1.113 334 L CA 0.151 54.946 54.840 -0.076 0.000 0.861 334 L CB 0.013 42.032 42.059 -0.066 0.000 1.012 334 L HN 0.303 nan 8.230 nan 0.000 0.461 335 L N -0.937 120.253 121.223 -0.055 0.000 2.554 335 L HA 0.033 4.374 4.340 0.001 0.000 0.225 335 L C 2.286 179.101 176.870 -0.092 0.000 1.104 335 L CA 0.265 55.068 54.840 -0.062 0.000 0.866 335 L CB 0.086 42.117 42.059 -0.047 0.000 1.047 335 L HN 0.254 nan 8.230 nan 0.000 0.468 336 E N 0.959 121.108 120.200 -0.085 0.000 2.005 336 E HA -0.196 4.154 4.350 0.001 0.000 0.191 336 E C 2.247 178.785 176.600 -0.104 0.000 0.987 336 E CA 1.188 57.528 56.400 -0.100 0.000 0.814 336 E CB 0.010 29.669 29.700 -0.069 0.000 0.772 336 E HN 0.341 nan 8.360 nan 0.000 0.453 337 M N 0.799 120.378 119.600 -0.035 0.000 2.144 337 M HA -0.214 4.266 4.480 0.001 0.000 0.260 337 M C 2.252 178.577 176.300 0.041 0.000 1.067 337 M CA 1.053 56.413 55.300 0.100 0.000 1.095 337 M CB -0.376 32.258 32.600 0.057 0.000 1.365 337 M HN 0.212 nan 8.290 nan 0.000 0.406 338 I N 0.043 120.585 120.570 -0.047 0.000 2.068 338 I HA -0.262 3.909 4.170 0.001 0.000 0.238 338 I C 2.488 178.522 176.117 -0.138 0.000 1.046 338 I CA 1.665 62.924 61.300 -0.069 0.000 1.306 338 I CB -1.516 36.440 38.000 -0.073 0.000 1.023 338 I HN 0.144 nan 8.210 nan 0.000 0.399 339 V N 1.042 120.801 119.914 -0.259 0.000 2.295 339 V HA -0.245 3.876 4.120 0.001 0.000 0.246 339 V C 2.677 178.501 176.094 -0.449 0.000 1.049 339 V CA 1.487 63.489 62.300 -0.496 0.000 1.024 339 V CB -0.603 30.722 31.823 -0.830 0.000 0.648 339 V HN 0.342 nan 8.190 nan 0.000 0.447 340 L N -0.867 120.110 121.223 -0.411 0.000 2.079 340 L HA -0.206 4.134 4.340 0.001 0.000 0.210 340 L C 2.339 178.896 176.870 -0.520 0.000 1.081 340 L CA 2.022 56.560 54.840 -0.502 0.000 0.752 340 L CB -0.637 41.038 42.059 -0.640 0.000 0.896 340 L HN 0.494 nan 8.230 nan 0.000 0.433 341 H N -1.800 117.202 119.070 -0.113 0.000 2.317 341 H HA 0.245 4.802 4.556 0.001 0.000 0.291 341 H C 0.488 175.782 175.328 -0.055 0.000 0.999 341 H CA -0.697 55.308 56.048 -0.073 0.000 1.336 341 H CB -0.008 29.711 29.762 -0.072 0.000 1.485 341 H HN -0.071 nan 8.280 nan 0.000 0.597 342 L N 4.970 126.236 121.223 0.071 0.000 2.678 342 L HA -0.020 4.320 4.340 0.001 0.000 0.285 342 L C -1.915 174.973 176.870 0.031 0.000 1.233 342 L CA -1.257 53.605 54.840 0.037 0.000 0.920 342 L CB -0.015 42.051 42.059 0.012 0.000 1.176 342 L HN 0.198 nan 8.230 nan 0.000 0.495 343 P HA 0.079 nan 4.420 nan 0.000 0.275 343 P C -0.627 176.710 177.300 0.062 0.000 1.270 343 P CA -0.463 62.681 63.100 0.073 0.000 0.791 343 P CB 0.823 32.596 31.700 0.121 0.000 1.089 344 S N -1.934 113.804 115.700 0.063 0.000 2.689 344 S HA 0.481 4.951 4.470 0.001 0.000 0.306 344 S C -2.122 172.493 174.600 0.026 0.000 1.104 344 S CA -1.644 56.586 58.200 0.051 0.000 0.973 344 S CB 0.985 64.224 63.200 0.064 0.000 1.121 344 S HN 0.143 nan 8.310 nan 0.000 0.523 345 P HA -0.051 nan 4.420 nan 0.000 0.222 345 P C 1.238 178.531 177.300 -0.012 0.000 1.142 345 P CA 0.604 63.697 63.100 -0.013 0.000 0.788 345 P CB -0.121 31.558 31.700 -0.035 0.000 0.767 346 V N -1.318 118.596 119.914 -0.000 0.000 2.591 346 V HA -0.155 3.965 4.120 0.001 0.000 0.249 346 V C 2.197 178.292 176.094 0.001 0.000 1.053 346 V CA 2.194 64.495 62.300 0.001 0.000 1.068 346 V CB -1.571 30.259 31.823 0.012 0.000 0.689 346 V HN 0.184 nan 8.190 nan 0.000 0.462 347 T N 0.650 115.215 114.554 0.018 0.000 2.706 347 T HA -0.022 4.329 4.350 0.001 0.000 0.255 347 T C 2.176 176.839 174.700 -0.061 0.000 1.048 347 T CA 1.494 63.630 62.100 0.060 0.000 1.153 347 T CB -0.527 68.416 68.868 0.126 0.000 0.865 347 T HN 0.497 nan 8.240 nan 0.000 0.414 348 A N 1.811 124.530 122.820 -0.167 0.000 1.869 348 A HA -0.254 4.066 4.320 0.001 0.000 0.218 348 A C 2.233 179.363 177.584 -0.756 0.000 1.203 348 A CA 1.989 53.643 52.037 -0.639 0.000 0.638 348 A CB -1.021 17.831 19.000 -0.247 0.000 0.831 348 A HN 0.611 nan 8.150 nan 0.000 0.450 349 Q N -0.819 118.803 119.800 -0.296 0.000 2.368 349 Q HA -0.090 4.251 4.340 0.001 0.000 0.210 349 Q C 2.198 178.085 176.000 -0.189 0.000 0.982 349 Q CA 0.933 56.629 55.803 -0.178 0.000 0.884 349 Q CB -0.395 28.343 28.738 0.001 0.000 0.933 349 Q HN 0.733 nan 8.270 nan 0.000 0.460 350 A N 0.612 123.316 122.820 -0.193 0.000 1.968 350 A HA -0.151 4.169 4.320 0.001 0.000 0.217 350 A C 1.552 179.128 177.584 -0.013 0.000 1.169 350 A CA 1.132 53.131 52.037 -0.064 0.000 0.638 350 A CB -0.339 18.674 19.000 0.023 0.000 0.812 350 A HN 0.617 nan 8.150 nan 0.000 0.446 351 Y N -3.869 116.429 120.300 -0.002 0.000 2.453 351 Y HA 0.531 5.081 4.550 0.001 0.000 0.247 351 Y C 1.543 177.433 175.900 -0.017 0.000 1.124 351 Y CA -0.017 58.078 58.100 -0.009 0.000 1.243 351 Y CB 0.064 38.522 38.460 -0.004 0.000 1.213 351 Y HN 0.074 nan 8.280 nan 0.000 0.523 352 R N 0.384 120.696 120.500 -0.313 0.000 2.437 352 R HA 0.458 4.799 4.340 0.001 0.000 0.257 352 R C 1.745 177.939 176.300 -0.176 0.000 0.927 352 R CA 0.675 56.654 56.100 -0.202 0.000 1.078 352 R CB 0.204 30.303 30.300 -0.335 0.000 1.161 352 R HN 0.385 nan 8.270 nan 0.000 0.529 353 A N 1.672 124.397 122.820 -0.158 0.000 1.854 353 A HA -0.190 4.130 4.320 0.001 0.000 0.214 353 A C 1.827 179.353 177.584 -0.097 0.000 1.192 353 A CA 1.502 53.443 52.037 -0.160 0.000 0.611 353 A CB -0.361 18.561 19.000 -0.131 0.000 0.832 353 A HN 0.566 nan 8.150 nan 0.000 0.442 354 E N -0.207 119.966 120.200 -0.046 0.000 2.097 354 E HA -0.337 4.013 4.350 0.001 0.000 0.196 354 E C 2.026 178.622 176.600 -0.007 0.000 1.000 354 E CA 1.483 57.881 56.400 -0.003 0.000 0.804 354 E CB -0.529 29.174 29.700 0.005 0.000 0.740 354 E HN 0.786 nan 8.360 nan 0.000 0.454 355 Q N 0.650 120.432 119.800 -0.030 0.000 2.369 355 Q HA -0.045 4.295 4.340 0.001 0.000 0.206 355 Q C 1.674 177.626 176.000 -0.080 0.000 0.963 355 Q CA 0.708 56.487 55.803 -0.040 0.000 0.894 355 Q CB 0.160 28.883 28.738 -0.025 0.000 0.965 355 Q HN 0.421 nan 8.270 nan 0.000 0.475 356 L N -0.045 121.104 121.223 -0.124 0.000 2.808 356 L HA 0.263 4.603 4.340 0.001 0.000 0.246 356 L C -0.585 176.220 176.870 -0.109 0.000 1.153 356 L CA -0.321 54.392 54.840 -0.212 0.000 0.956 356 L CB 0.546 42.340 42.059 -0.442 0.000 1.270 356 L HN 0.125 nan 8.230 nan 0.000 0.528 357 Y N 0.814 121.015 120.300 -0.165 0.000 2.326 357 Y HA 0.260 4.810 4.550 0.001 0.000 0.329 357 Y C 0.525 176.378 175.900 -0.079 0.000 0.973 357 Y CA -0.887 57.147 58.100 -0.109 0.000 1.162 357 Y CB 1.140 39.534 38.460 -0.109 0.000 1.147 357 Y HN 0.041 nan 8.280 nan 0.000 0.456 358 E N 4.156 124.072 120.200 -0.474 0.000 2.303 358 E HA 0.247 4.597 4.350 0.001 0.000 0.211 358 E C 0.267 176.536 176.600 -0.551 0.000 1.223 358 E CA -0.096 56.093 56.400 -0.351 0.000 1.344 358 E CB 0.160 29.752 29.700 -0.179 0.000 1.299 358 E HN 0.815 nan 8.360 nan 0.000 0.441 359 G N 1.118 109.448 108.800 -0.783 0.000 3.176 359 G HA2 0.399 4.359 3.960 0.001 0.000 0.272 359 G HA3 0.399 4.359 3.960 0.001 0.000 0.272 359 G C -2.772 172.017 174.900 -0.186 0.000 1.349 359 G CA -1.328 43.289 45.100 -0.805 0.000 0.953 359 G HN -0.109 nan 8.290 nan 0.000 0.559 360 P HA 0.243 nan 4.420 nan 0.000 0.262 360 P C 0.623 177.965 177.300 0.070 0.000 1.182 360 P CA 0.398 63.498 63.100 0.001 0.000 0.761 360 P CB 1.205 32.914 31.700 0.016 0.000 0.795 361 A N 3.325 126.165 122.820 0.033 0.000 2.172 361 A HA -0.153 4.167 4.320 0.001 0.000 0.216 361 A C 1.145 178.725 177.584 -0.007 0.000 1.154 361 A CA 1.676 53.726 52.037 0.023 0.000 0.701 361 A CB -0.839 18.167 19.000 0.010 0.000 0.789 361 A HN 0.642 nan 8.150 nan 0.000 0.465 362 D N -1.610 118.788 120.400 -0.005 0.000 2.431 362 D HA 0.163 4.803 4.640 0.001 0.000 0.213 362 D C 0.044 176.331 176.300 -0.021 0.000 1.130 362 D CA -0.337 53.653 54.000 -0.016 0.000 0.834 362 D CB -0.310 40.487 40.800 -0.006 0.000 0.985 362 D HN 0.201 nan 8.370 nan 0.000 0.504 363 D N 0.213 120.603 120.400 -0.017 0.000 2.449 363 D HA 0.226 4.867 4.640 0.001 0.000 0.236 363 D C 1.566 177.825 176.300 -0.067 0.000 1.149 363 D CA 0.424 54.419 54.000 -0.008 0.000 0.878 363 D CB 1.198 42.038 40.800 0.065 0.000 1.198 363 D HN 0.101 nan 8.370 nan 0.000 0.446 364 A N 3.562 126.363 122.820 -0.031 0.000 2.032 364 A HA -0.268 4.053 4.320 0.001 0.000 0.221 364 A C 1.772 179.303 177.584 -0.087 0.000 1.165 364 A CA 1.745 53.757 52.037 -0.041 0.000 0.645 364 A CB -0.479 18.516 19.000 -0.008 0.000 0.807 364 A HN 0.690 nan 8.150 nan 0.000 0.453 365 N N -1.177 117.435 118.700 -0.147 0.000 2.278 365 N HA -0.071 4.670 4.740 0.001 0.000 0.181 365 N C 1.628 176.896 175.510 -0.404 0.000 1.023 365 N CA 1.166 54.076 53.050 -0.233 0.000 0.862 365 N CB -0.843 37.522 38.487 -0.204 0.000 1.003 365 N HN 0.507 nan 8.380 nan 0.000 0.431 366 C N 0.844 119.750 119.300 -0.656 0.000 2.411 366 C HA 0.019 4.479 4.460 0.001 0.000 0.279 366 C C 2.347 177.180 174.990 -0.262 0.000 1.288 366 C CA 0.531 59.199 59.018 -0.583 0.000 1.764 366 C CB -1.280 26.172 27.740 -0.480 0.000 1.974 366 C HN 0.380 nan 8.230 nan 0.000 0.498 367 I N 1.319 121.778 120.570 -0.185 0.000 2.252 367 I HA -0.109 4.061 4.170 0.001 0.000 0.245 367 I C 2.794 178.858 176.117 -0.088 0.000 1.102 367 I CA 1.512 62.749 61.300 -0.105 0.000 1.385 367 I CB -0.631 37.326 38.000 -0.073 0.000 1.064 367 I HN 0.353 nan 8.210 nan 0.000 0.414 368 A N 0.836 123.598 122.820 -0.097 0.000 2.172 368 A HA -0.094 4.226 4.320 0.001 0.000 0.216 368 A C 2.138 179.693 177.584 -0.048 0.000 1.154 368 A CA 1.068 53.068 52.037 -0.061 0.000 0.701 368 A CB -0.454 18.515 19.000 -0.053 0.000 0.789 368 A HN 0.325 nan 8.150 nan 0.000 0.465 369 I N -0.570 119.950 120.570 -0.083 0.000 2.429 369 I HA -0.080 4.091 4.170 0.001 0.000 0.247 369 I C 2.114 178.208 176.117 -0.038 0.000 1.099 369 I CA 1.123 62.394 61.300 -0.049 0.000 1.422 369 I CB -1.310 36.613 38.000 -0.129 0.000 1.112 369 I HN 0.288 nan 8.210 nan 0.000 0.430 370 K N 0.985 121.346 120.400 -0.065 0.000 2.097 370 K HA -0.139 4.182 4.320 0.001 0.000 0.206 370 K C 1.627 178.209 176.600 -0.029 0.000 1.049 370 K CA 1.240 57.497 56.287 -0.051 0.000 0.933 370 K CB -0.081 32.392 32.500 -0.045 0.000 0.717 370 K HN 0.303 nan 8.250 nan 0.000 0.442 371 N N 0.302 118.986 118.700 -0.026 0.000 2.463 371 N HA -0.084 4.657 4.740 0.001 0.000 0.181 371 N C 0.559 176.063 175.510 -0.009 0.000 1.078 371 N CA 0.490 53.530 53.050 -0.016 0.000 0.902 371 N CB -0.135 38.341 38.487 -0.018 0.000 0.970 371 N HN 0.188 nan 8.380 nan 0.000 0.451 372 C N 2.178 121.477 119.300 -0.003 0.000 4.274 372 C HA -0.234 4.226 4.460 0.001 0.000 0.297 372 C C 0.058 175.047 174.990 -0.002 0.000 1.446 372 C CA -0.351 58.672 59.018 0.009 0.000 2.016 372 C CB -2.573 25.169 27.740 0.003 0.000 1.273 372 C HN 0.443 nan 8.230 nan 0.000 0.782 373 D N 1.536 121.933 120.400 -0.006 0.000 2.363 373 D HA 0.205 4.845 4.640 0.001 0.000 0.263 373 D C -0.650 175.646 176.300 -0.007 0.000 1.258 373 D CA -1.541 52.453 54.000 -0.009 0.000 0.907 373 D CB 0.813 41.605 40.800 -0.013 0.000 1.107 373 D HN 0.476 nan 8.370 nan 0.000 0.495 374 P HA 0.053 nan 4.420 nan 0.000 0.253 374 P C 0.091 177.384 177.300 -0.011 0.000 1.508 374 P CA 0.016 63.108 63.100 -0.012 0.000 0.883 374 P CB 0.403 32.093 31.700 -0.018 0.000 1.519 375 K N -1.037 119.358 120.400 -0.009 0.000 2.462 375 K HA 0.261 4.581 4.320 0.001 0.000 0.201 375 K C 1.352 177.949 176.600 -0.006 0.000 1.268 375 K CA 0.157 56.439 56.287 -0.008 0.000 0.933 375 K CB 0.201 32.695 32.500 -0.009 0.000 1.162 375 K HN 0.077 nan 8.250 nan 0.000 0.527 376 A N 2.044 124.861 122.820 -0.006 0.000 2.261 376 A HA 0.089 4.410 4.320 0.001 0.000 0.275 376 A C -0.180 177.404 177.584 0.001 0.000 1.246 376 A CA -0.068 51.966 52.037 -0.005 0.000 0.810 376 A CB -0.181 18.812 19.000 -0.011 0.000 1.168 376 A HN 0.119 nan 8.150 nan 0.000 0.506 377 D N -0.120 120.283 120.400 0.005 0.000 2.488 377 D HA 0.210 4.850 4.640 0.001 0.000 0.238 377 D C 0.125 176.438 176.300 0.022 0.000 1.138 377 D CA 0.128 54.136 54.000 0.014 0.000 0.873 377 D CB 0.314 41.128 40.800 0.023 0.000 1.183 377 D HN 0.348 nan 8.370 nan 0.000 0.458 378 L N 2.935 124.172 121.223 0.024 0.000 2.525 378 L HA -0.004 4.336 4.340 0.001 0.000 0.278 378 L C -0.050 176.858 176.870 0.062 0.000 1.218 378 L CA 0.718 55.578 54.840 0.033 0.000 0.878 378 L CB 0.128 42.200 42.059 0.021 0.000 1.127 378 L HN 0.289 nan 8.230 nan 0.000 0.492 379 M N 7.415 127.068 119.600 0.089 0.000 2.850 379 M HA 0.258 4.739 4.480 0.001 0.000 0.288 379 M C -0.997 175.431 176.300 0.213 0.000 1.450 379 M CA -0.156 55.237 55.300 0.155 0.000 0.555 379 M CB 0.489 33.185 32.600 0.160 0.000 1.507 379 M HN 0.528 nan 8.290 nan 0.000 0.415 380 L N 1.407 122.721 121.223 0.153 0.000 2.276 380 L HA 0.423 4.764 4.340 0.001 0.000 0.286 380 L C -1.205 175.796 176.870 0.218 0.000 1.061 380 L CA -0.553 54.369 54.840 0.136 0.000 0.807 380 L CB 1.079 43.161 42.059 0.038 0.000 1.177 380 L HN 0.474 nan 8.230 nan 0.000 0.429 381 Y N 4.769 125.166 120.300 0.162 0.000 2.328 381 Y HA 0.453 5.004 4.550 0.001 0.000 0.337 381 Y C -0.653 175.301 175.900 0.090 0.000 1.008 381 Y CA -0.562 57.657 58.100 0.199 0.000 1.129 381 Y CB 1.396 40.108 38.460 0.420 0.000 1.185 381 Y HN 0.274 nan 8.280 nan 0.000 0.476 382 V N 6.828 126.495 119.914 -0.412 0.000 2.364 382 V HA 0.150 4.270 4.120 0.001 0.000 0.272 382 V C 0.301 176.181 176.094 -0.358 0.000 1.036 382 V CA 0.163 62.302 62.300 -0.268 0.000 0.880 382 V CB 1.011 32.744 31.823 -0.149 0.000 0.991 382 V HN 1.036 nan 8.190 nan 0.000 0.460 383 S N 3.740 119.436 115.700 -0.007 0.000 2.460 383 S HA 0.151 4.622 4.470 0.001 0.000 0.226 383 S C 0.446 175.158 174.600 0.186 0.000 1.057 383 S CA 0.180 58.507 58.200 0.212 0.000 0.948 383 S CB 0.126 63.571 63.200 0.408 0.000 0.822 383 S HN 0.884 nan 8.310 nan 0.000 0.512 384 K N 0.025 120.540 120.400 0.192 0.000 2.562 384 K HA 0.474 4.795 4.320 0.001 0.000 0.267 384 K C -1.367 175.289 176.600 0.093 0.000 0.938 384 K CA -0.825 55.511 56.287 0.081 0.000 0.840 384 K CB 0.937 33.477 32.500 0.067 0.000 1.390 384 K HN -0.168 nan 8.250 nan 0.000 0.428 385 M N 2.293 121.886 119.600 -0.012 0.000 2.233 385 M HA 0.361 4.842 4.480 0.001 0.000 0.355 385 M C -0.632 175.714 176.300 0.078 0.000 1.191 385 M CA -0.988 54.330 55.300 0.031 0.000 1.101 385 M CB 1.179 33.707 32.600 -0.121 0.000 1.592 385 M HN 0.601 nan 8.290 nan 0.000 0.461 386 V N 5.605 125.630 119.914 0.185 0.000 2.487 386 V HA 0.555 4.675 4.120 0.001 0.000 0.298 386 V C -2.399 173.803 176.094 0.181 0.000 1.028 386 V CA -2.167 60.221 62.300 0.147 0.000 0.860 386 V CB 2.448 34.302 31.823 0.052 0.000 0.991 386 V HN 0.607 nan 8.190 nan 0.000 0.427 387 P HA 0.216 nan 4.420 nan 0.000 0.266 387 P C -0.649 176.460 177.300 -0.318 0.000 1.193 387 P CA 0.431 63.437 63.100 -0.158 0.000 0.770 387 P CB 0.366 32.036 31.700 -0.050 0.000 0.836 388 T N -2.479 111.759 114.554 -0.527 0.000 2.906 388 T HA 0.382 4.732 4.350 0.001 0.000 0.295 388 T C 1.098 175.590 174.700 -0.348 0.000 1.075 388 T CA -0.215 61.585 62.100 -0.499 0.000 1.005 388 T CB 1.305 69.614 68.868 -0.933 0.000 1.136 388 T HN 0.255 nan 8.240 nan 0.000 0.498 389 S N 0.168 115.739 115.700 -0.215 0.000 2.428 389 S HA -0.032 4.438 4.470 0.001 0.000 0.230 389 S C 0.698 175.223 174.600 -0.125 0.000 1.014 389 S CA 0.706 58.826 58.200 -0.134 0.000 0.957 389 S CB -0.776 62.389 63.200 -0.058 0.000 0.784 389 S HN 0.866 nan 8.310 nan 0.000 0.499 390 D N 2.355 122.677 120.400 -0.131 0.000 2.380 390 D HA 0.289 4.929 4.640 0.001 0.000 0.270 390 D C 0.326 176.548 176.300 -0.130 0.000 1.363 390 D CA 0.291 54.242 54.000 -0.081 0.000 1.057 390 D CB -0.297 40.504 40.800 0.002 0.000 1.096 390 D HN 0.298 nan 8.370 nan 0.000 0.524 391 K N 1.833 122.169 120.400 -0.106 0.000 1.682 391 K HA -0.195 4.126 4.320 0.001 0.000 0.585 391 K C 0.933 177.415 176.600 -0.197 0.000 1.828 391 K CA 1.611 57.828 56.287 -0.116 0.000 0.967 391 K CB -1.256 31.192 32.500 -0.086 0.000 1.624 391 K HN 0.421 nan 8.250 nan 0.000 0.656 392 G N 0.822 109.503 108.800 -0.198 0.000 3.181 392 G HA2 0.059 4.019 3.960 0.001 0.000 0.219 392 G HA3 0.059 4.019 3.960 0.001 0.000 0.219 392 G C -0.076 174.519 174.900 -0.508 0.000 1.182 392 G CA -0.029 44.888 45.100 -0.305 0.000 0.791 392 G HN 0.307 nan 8.290 nan 0.000 0.537 393 R N -0.275 119.989 120.500 -0.395 0.000 2.827 393 R HA 0.266 4.607 4.340 0.001 0.000 0.269 393 R C -0.910 174.995 176.300 -0.659 0.000 1.048 393 R CA 0.204 56.106 56.100 -0.330 0.000 1.173 393 R CB 0.128 30.335 30.300 -0.156 0.000 1.070 393 R HN 0.133 nan 8.270 nan 0.000 0.498 394 F N 0.204 120.074 119.950 -0.133 0.000 2.565 394 F HA 0.323 4.850 4.527 0.001 0.000 0.313 394 F C -0.409 175.423 175.800 0.053 0.000 1.091 394 F CA -0.939 56.980 58.000 -0.134 0.000 0.915 394 F CB 1.230 40.189 39.000 -0.068 0.000 1.208 394 F HN 0.187 nan 8.300 nan 0.000 0.453 395 Y N 1.543 121.948 120.300 0.175 0.000 2.330 395 Y HA 0.645 5.196 4.550 0.001 0.000 0.336 395 Y C 0.371 176.357 175.900 0.145 0.000 1.036 395 Y CA -2.202 55.974 58.100 0.126 0.000 1.125 395 Y CB 0.978 39.493 38.460 0.093 0.000 1.194 395 Y HN 0.667 nan 8.280 nan 0.000 0.469 396 A N 4.140 127.127 122.820 0.278 0.000 2.440 396 A HA 0.442 4.763 4.320 0.001 0.000 0.251 396 A C -1.134 176.586 177.584 0.226 0.000 1.089 396 A CA -0.160 51.991 52.037 0.190 0.000 0.779 396 A CB -0.222 18.841 19.000 0.106 0.000 1.022 396 A HN 0.615 nan 8.150 nan 0.000 0.492 397 F N 2.173 122.160 119.950 0.062 0.000 2.482 397 F HA 0.682 5.209 4.527 0.001 0.000 0.331 397 F C 0.350 176.183 175.800 0.054 0.000 1.115 397 F CA 0.520 58.554 58.000 0.057 0.000 0.955 397 F CB 1.608 40.643 39.000 0.059 0.000 1.136 397 F HN 0.897 nan 8.300 nan 0.000 0.452 398 G N 4.989 113.357 108.800 -0.720 0.000 2.494 398 G HA2 0.451 4.411 3.960 0.001 0.000 0.308 398 G HA3 0.451 4.411 3.960 0.001 0.000 0.308 398 G C -2.111 172.495 174.900 -0.489 0.000 1.263 398 G CA -1.176 43.642 45.100 -0.471 0.000 0.840 398 G HN 0.757 nan 8.290 nan 0.000 0.479 399 R N -0.235 120.102 120.500 -0.272 0.000 2.575 399 R HA 0.582 4.922 4.340 0.001 0.000 0.293 399 R C -1.191 174.827 176.300 -0.470 0.000 0.983 399 R CA -0.525 55.311 56.100 -0.440 0.000 0.887 399 R CB 2.125 32.053 30.300 -0.621 0.000 1.184 399 R HN 0.376 nan 8.270 nan 0.000 0.445 400 V N 6.255 125.946 119.914 -0.372 0.000 2.439 400 V HA 0.136 4.256 4.120 0.001 0.000 0.271 400 V C 0.327 176.234 176.094 -0.312 0.000 1.040 400 V CA 0.282 62.444 62.300 -0.230 0.000 1.002 400 V CB 0.527 32.270 31.823 -0.133 0.000 1.000 400 V HN 0.764 nan 8.190 nan 0.000 0.477 401 F N 2.714 122.665 119.950 0.002 0.000 2.714 401 F HA 0.587 5.114 4.527 0.001 0.000 0.294 401 F C 1.123 176.906 175.800 -0.028 0.000 1.120 401 F CA 0.673 58.663 58.000 -0.017 0.000 1.398 401 F CB 0.348 39.344 39.000 -0.007 0.000 1.120 401 F HN 0.597 nan 8.300 nan 0.000 0.589 402 A N -1.166 121.730 122.820 0.128 0.000 2.610 402 A HA 0.628 4.949 4.320 0.001 0.000 0.291 402 A C 0.327 177.929 177.584 0.031 0.000 1.086 402 A CA -0.315 51.758 52.037 0.060 0.000 0.677 402 A CB 0.201 19.231 19.000 0.049 0.000 1.278 402 A HN 0.628 nan 8.150 nan 0.000 0.414 403 G N -0.210 108.597 108.800 0.012 0.000 2.598 403 G HA2 0.345 4.305 3.960 0.001 0.000 0.269 403 G HA3 0.345 4.305 3.960 0.001 0.000 0.269 403 G C 0.262 175.158 174.900 -0.006 0.000 1.289 403 G CA 0.830 45.932 45.100 0.003 0.000 0.926 403 G HN 2.824 nan 8.290 nan 0.000 0.567 404 T N -3.937 110.612 114.554 -0.009 0.000 2.916 404 T HA 0.624 4.975 4.350 0.001 0.000 0.298 404 T C -0.477 174.213 174.700 -0.017 0.000 1.031 404 T CA 0.097 62.187 62.100 -0.018 0.000 0.993 404 T CB 1.868 70.725 68.868 -0.020 0.000 1.045 404 T HN 1.987 nan 8.240 nan 0.000 0.454 405 V N 2.978 122.878 119.914 -0.023 0.000 2.465 405 V HA 0.657 4.778 4.120 0.001 0.000 0.279 405 V C -0.624 175.456 176.094 -0.024 0.000 1.045 405 V CA -0.285 62.002 62.300 -0.022 0.000 0.938 405 V CB 0.891 32.698 31.823 -0.028 0.000 0.986 405 V HN 0.976 nan 8.190 nan 0.000 0.467 406 K N 3.927 124.314 120.400 -0.021 0.000 2.385 406 K HA 0.536 4.857 4.320 0.001 0.000 0.248 406 K C -0.543 176.044 176.600 -0.021 0.000 0.955 406 K CA -0.678 55.596 56.287 -0.021 0.000 0.816 406 K CB 2.104 34.594 32.500 -0.017 0.000 1.250 406 K HN 0.605 nan 8.250 nan 0.000 0.434 407 S N 0.604 116.291 115.700 -0.022 0.000 2.516 407 S HA 0.281 4.751 4.470 0.001 0.000 0.282 407 S C 1.113 175.704 174.600 -0.015 0.000 1.286 407 S CA 0.722 58.909 58.200 -0.022 0.000 1.066 407 S CB 0.636 63.821 63.200 -0.024 0.000 0.884 407 S HN 0.960 nan 8.310 nan 0.000 0.491 408 G N 2.376 111.169 108.800 -0.012 0.000 2.268 408 G HA2 -0.280 3.680 3.960 0.001 0.000 0.240 408 G HA3 -0.280 3.680 3.960 0.001 0.000 0.240 408 G C 0.164 175.060 174.900 -0.007 0.000 1.010 408 G CA 0.170 45.266 45.100 -0.007 0.000 0.618 408 G HN 0.724 nan 8.290 nan 0.000 0.516 409 Q N 1.893 121.686 119.800 -0.010 0.000 2.263 409 Q HA 0.267 4.607 4.340 0.001 0.000 0.289 409 Q C 0.837 176.829 176.000 -0.013 0.000 1.061 409 Q CA 0.476 56.272 55.803 -0.012 0.000 0.927 409 Q CB 0.239 28.970 28.738 -0.013 0.000 1.154 409 Q HN 0.663 nan 8.270 nan 0.000 0.378 410 K N 1.877 122.267 120.400 -0.015 0.000 2.322 410 K HA 0.397 4.717 4.320 0.001 0.000 0.283 410 K C -1.072 175.511 176.600 -0.029 0.000 1.042 410 K CA -0.641 55.632 56.287 -0.023 0.000 0.958 410 K CB 1.186 33.671 32.500 -0.024 0.000 0.984 410 K HN 0.279 nan 8.250 nan 0.000 0.473 411 V N 3.012 122.902 119.914 -0.040 0.000 2.962 411 V HA 0.327 4.447 4.120 0.001 0.000 0.313 411 V C -0.457 175.595 176.094 -0.070 0.000 1.099 411 V CA -1.208 61.066 62.300 -0.043 0.000 0.971 411 V CB 2.066 33.871 31.823 -0.030 0.000 1.028 411 V HN 0.776 nan 8.190 nan 0.000 0.430 412 R N 3.136 123.590 120.500 -0.077 0.000 2.308 412 R HA 0.450 4.790 4.340 0.001 0.000 0.325 412 R C -0.485 175.735 176.300 -0.132 0.000 1.161 412 R CA -0.160 55.865 56.100 -0.124 0.000 1.022 412 R CB 0.157 30.370 30.300 -0.145 0.000 1.091 412 R HN 0.562 nan 8.270 nan 0.000 0.497 413 I N 3.984 124.491 120.570 -0.105 0.000 2.453 413 I HA -0.070 4.100 4.170 0.001 0.000 0.300 413 I C 0.367 176.450 176.117 -0.056 0.000 1.159 413 I CA 0.497 61.768 61.300 -0.048 0.000 1.379 413 I CB -0.089 37.906 38.000 -0.009 0.000 1.460 413 I HN 0.372 nan 8.210 nan 0.000 0.601 414 Q N 4.815 124.533 119.800 -0.137 0.000 2.349 414 Q HA 0.356 4.696 4.340 0.001 0.000 0.254 414 Q C 0.691 176.695 176.000 0.007 0.000 0.980 414 Q CA -0.418 55.253 55.803 -0.220 0.000 0.924 414 Q CB 1.695 30.212 28.738 -0.367 0.000 1.209 414 Q HN 0.762 nan 8.270 nan 0.000 0.445 415 G N 2.858 111.721 108.800 0.104 0.000 2.508 415 G HA2 0.154 4.114 3.960 0.001 0.000 0.278 415 G HA3 0.154 4.114 3.960 0.001 0.000 0.278 415 G C -1.787 173.206 174.900 0.156 0.000 1.389 415 G CA -1.060 44.128 45.100 0.146 0.000 1.050 415 G HN 0.370 nan 8.290 nan 0.000 0.522 416 P HA -0.095 nan 4.420 nan 0.000 0.214 416 P C 1.535 178.909 177.300 0.124 0.000 1.163 416 P CA 1.023 64.198 63.100 0.124 0.000 0.883 416 P CB 0.180 31.949 31.700 0.115 0.000 0.788 417 N N -2.033 116.745 118.700 0.130 0.000 2.494 417 N HA -0.078 4.662 4.740 0.001 0.000 0.182 417 N C 0.494 176.061 175.510 0.095 0.000 1.076 417 N CA 0.145 53.255 53.050 0.099 0.000 0.908 417 N CB -0.551 37.992 38.487 0.093 0.000 0.967 417 N HN 0.231 nan 8.380 nan 0.000 0.449 418 Y N 1.263 121.575 120.300 0.021 0.000 2.683 418 Y HA 0.098 4.648 4.550 0.001 0.000 0.340 418 Y C -0.125 175.755 175.900 -0.034 0.000 1.245 418 Y CA 0.197 58.292 58.100 -0.008 0.000 1.485 418 Y CB 0.577 39.034 38.460 -0.004 0.000 1.328 418 Y HN -0.308 nan 8.280 nan 0.000 0.603 419 V N 8.118 127.399 119.914 -1.055 0.000 2.733 419 V HA 0.204 4.325 4.120 0.001 0.000 0.306 419 V C -1.918 173.480 176.094 -1.161 0.000 1.084 419 V CA -1.561 60.242 62.300 -0.829 0.000 0.905 419 V CB 1.928 33.510 31.823 -0.402 0.000 1.010 419 V HN 0.673 nan 8.190 nan 0.000 0.424 420 P HA -0.147 nan 4.420 nan 0.000 0.219 420 P C 1.402 178.543 177.300 -0.267 0.000 1.144 420 P CA 1.685 64.564 63.100 -0.368 0.000 0.806 420 P CB 0.319 31.829 31.700 -0.317 0.000 0.771 421 G N -0.620 108.002 108.800 -0.296 0.000 2.425 421 G HA2 -0.080 3.881 3.960 0.001 0.000 0.213 421 G HA3 -0.080 3.881 3.960 0.001 0.000 0.213 421 G C 0.819 175.619 174.900 -0.168 0.000 1.201 421 G CA 0.324 45.316 45.100 -0.179 0.000 0.799 421 G HN 0.173 nan 8.290 nan 0.000 0.534 422 K N 0.081 120.347 120.400 -0.224 0.000 2.332 422 K HA 0.290 4.611 4.320 0.001 0.000 0.246 422 K C 0.255 176.782 176.600 -0.121 0.000 1.066 422 K CA -0.065 56.128 56.287 -0.157 0.000 0.898 422 K CB 0.378 32.788 32.500 -0.149 0.000 1.192 422 K HN 0.052 nan 8.250 nan 0.000 0.509 423 K N 0.721 121.092 120.400 -0.048 0.000 2.506 423 K HA 0.144 4.464 4.320 0.001 0.000 0.204 423 K C -0.757 175.858 176.600 0.024 0.000 1.045 423 K CA -0.103 56.199 56.287 0.025 0.000 1.074 423 K CB 0.669 33.164 32.500 -0.008 0.000 0.842 423 K HN 0.409 nan 8.250 nan 0.000 0.514 424 D N 1.816 122.224 120.400 0.013 0.000 2.304 424 D HA -0.003 4.637 4.640 0.001 0.000 0.247 424 D C 0.239 176.604 176.300 0.108 0.000 1.089 424 D CA 0.412 54.423 54.000 0.019 0.000 0.910 424 D CB 0.857 41.662 40.800 0.010 0.000 1.199 424 D HN 0.069 nan 8.370 nan 0.000 0.426 425 D N 0.572 120.995 120.400 0.038 0.000 2.699 425 D HA -0.199 4.442 4.640 0.001 0.000 0.239 425 D C -1.271 175.063 176.300 0.057 0.000 1.136 425 D CA 0.395 54.463 54.000 0.114 0.000 0.668 425 D CB -0.811 40.111 40.800 0.203 0.000 1.060 425 D HN 0.205 nan 8.370 nan 0.000 0.429 426 L N 0.483 121.533 121.223 -0.288 0.000 2.422 426 L HA 0.731 5.071 4.340 0.001 0.000 0.264 426 L C -1.588 174.842 176.870 -0.732 0.000 0.984 426 L CA -0.649 53.978 54.840 -0.356 0.000 0.819 426 L CB 1.728 43.645 42.059 -0.237 0.000 1.330 426 L HN -0.045 nan 8.230 nan 0.000 0.410 427 F N 5.796 125.619 119.950 -0.212 0.000 2.949 427 F HA 0.445 4.972 4.527 0.001 0.000 0.376 427 F C -0.132 175.450 175.800 -0.363 0.000 1.205 427 F CA -0.438 57.366 58.000 -0.327 0.000 1.155 427 F CB 1.101 39.771 39.000 -0.551 0.000 1.495 427 F HN 0.235 nan 8.300 nan 0.000 0.551 428 I N 4.873 125.352 120.570 -0.151 0.000 2.455 428 I HA 0.086 4.257 4.170 0.001 0.000 0.303 428 I C -0.000 176.032 176.117 -0.140 0.000 1.180 428 I CA 0.164 61.385 61.300 -0.132 0.000 1.469 428 I CB -0.435 37.507 38.000 -0.097 0.000 1.480 428 I HN 0.325 nan 8.210 nan 0.000 0.669 429 K N 4.079 124.367 120.400 -0.186 0.000 2.352 429 K HA 0.783 5.103 4.320 0.001 0.000 0.240 429 K C -0.537 176.019 176.600 -0.074 0.000 1.017 429 K CA -0.907 55.284 56.287 -0.160 0.000 0.851 429 K CB 1.931 34.234 32.500 -0.328 0.000 1.261 429 K HN 0.349 nan 8.250 nan 0.000 0.451 430 A N 1.394 124.201 122.820 -0.022 0.000 2.290 430 A HA 0.503 4.823 4.320 0.001 0.000 0.310 430 A C 0.058 177.652 177.584 0.016 0.000 1.202 430 A CA -0.682 51.353 52.037 -0.003 0.000 0.837 430 A CB -0.174 18.829 19.000 0.005 0.000 1.139 430 A HN 0.642 nan 8.150 nan 0.000 0.509 431 I N 3.601 124.175 120.570 0.006 0.000 2.578 431 I HA -0.073 4.097 4.170 0.001 0.000 0.286 431 I C 1.440 177.560 176.117 0.005 0.000 1.126 431 I CA 0.129 61.435 61.300 0.010 0.000 1.380 431 I CB 0.425 38.422 38.000 -0.005 0.000 1.408 431 I HN 0.883 nan 8.210 nan 0.000 0.532 432 Q N 6.046 125.854 119.800 0.013 0.000 1.975 432 Q HA -0.057 4.283 4.340 0.001 0.000 0.205 432 Q C 0.225 176.210 176.000 -0.024 0.000 0.990 432 Q CA 1.433 57.238 55.803 0.003 0.000 0.845 432 Q CB 0.071 28.817 28.738 0.013 0.000 0.913 432 Q HN 0.603 nan 8.270 nan 0.000 0.420 433 R N -0.058 120.409 120.500 -0.055 0.000 2.564 433 R HA 0.448 4.789 4.340 0.001 0.000 0.284 433 R C -1.537 174.700 176.300 -0.106 0.000 1.031 433 R CA -0.448 55.605 56.100 -0.078 0.000 0.904 433 R CB 2.307 32.550 30.300 -0.094 0.000 1.199 433 R HN -0.071 nan 8.270 nan 0.000 0.443 434 V N 3.665 123.532 119.914 -0.078 0.000 2.432 434 V HA 0.391 4.511 4.120 0.001 0.000 0.275 434 V C 0.147 176.196 176.094 -0.075 0.000 1.043 434 V CA -0.573 61.682 62.300 -0.074 0.000 0.925 434 V CB 1.406 33.199 31.823 -0.049 0.000 0.985 434 V HN 0.586 nan 8.190 nan 0.000 0.466 435 V N 3.645 123.511 119.914 -0.081 0.000 2.789 435 V HA 0.653 4.774 4.120 0.001 0.000 0.311 435 V C -0.552 175.544 176.094 0.003 0.000 1.073 435 V CA -1.028 61.241 62.300 -0.051 0.000 0.921 435 V CB 1.816 33.580 31.823 -0.098 0.000 1.009 435 V HN 0.623 nan 8.190 nan 0.000 0.426 436 L N 4.431 125.671 121.223 0.027 0.000 2.380 436 L HA 0.403 4.744 4.340 0.001 0.000 0.273 436 L C 0.490 177.420 176.870 0.102 0.000 1.138 436 L CA -0.364 54.511 54.840 0.057 0.000 0.832 436 L CB 0.975 43.064 42.059 0.050 0.000 1.124 436 L HN 0.568 nan 8.230 nan 0.000 0.454 437 M N 4.732 124.415 119.600 0.139 0.000 3.237 437 M HA 0.163 4.643 4.480 0.001 0.000 0.266 437 M C -0.090 176.282 176.300 0.120 0.000 1.456 437 M CA 0.231 55.629 55.300 0.164 0.000 1.593 437 M CB 0.076 32.838 32.600 0.269 0.000 1.129 437 M HN 0.532 nan 8.290 nan 0.000 0.547 438 M N 1.488 121.159 119.600 0.118 0.000 3.700 438 M HA 0.179 4.660 4.480 0.001 0.000 0.190 438 M C 1.344 177.686 176.300 0.071 0.000 1.422 438 M CA 0.206 55.581 55.300 0.125 0.000 1.646 438 M CB -1.602 31.110 32.600 0.187 0.000 1.154 438 M HN 0.877 nan 8.290 nan 0.000 0.506 439 G N 2.044 110.851 108.800 0.013 0.000 3.729 439 G HA2 -0.378 3.583 3.960 0.001 0.000 0.327 439 G HA3 -0.378 3.583 3.960 0.001 0.000 0.327 439 G C 1.114 175.914 174.900 -0.167 0.000 1.293 439 G CA 0.718 45.775 45.100 -0.072 0.000 1.011 439 G HN 0.525 nan 8.290 nan 0.000 0.673 440 R N 0.084 120.367 120.500 -0.362 0.000 2.282 440 R HA 0.424 4.765 4.340 0.001 0.000 0.195 440 R C 0.075 176.022 176.300 -0.588 0.000 0.909 440 R CA 0.158 55.919 56.100 -0.566 0.000 1.039 440 R CB 0.121 29.915 30.300 -0.844 0.000 1.015 440 R HN 0.329 nan 8.270 nan 0.000 0.513 441 F N 0.228 120.198 119.950 0.034 0.000 2.556 441 F HA 0.389 4.916 4.527 0.001 0.000 0.327 441 F C 0.040 175.879 175.800 0.065 0.000 1.059 441 F CA -1.417 56.610 58.000 0.045 0.000 0.953 441 F CB 1.446 40.467 39.000 0.034 0.000 1.227 441 F HN -0.309 nan 8.300 nan 0.000 0.478 442 V N -0.902 119.176 119.914 0.274 0.000 2.628 442 V HA 0.805 4.925 4.120 0.001 0.000 0.306 442 V C -1.123 175.047 176.094 0.126 0.000 1.045 442 V CA -0.717 61.690 62.300 0.179 0.000 0.905 442 V CB 1.681 33.608 31.823 0.174 0.000 0.997 442 V HN 0.747 nan 8.190 nan 0.000 0.436 443 E N 4.702 124.953 120.200 0.086 0.000 2.235 443 E HA 0.582 4.932 4.350 0.001 0.000 0.252 443 E C -2.892 173.721 176.600 0.021 0.000 0.886 443 E CA -2.297 54.134 56.400 0.052 0.000 0.767 443 E CB 1.896 31.630 29.700 0.057 0.000 1.205 443 E HN 0.641 nan 8.360 nan 0.000 0.421 444 P HA 0.024 nan 4.420 nan 0.000 0.264 444 P C -0.854 176.438 177.300 -0.013 0.000 1.183 444 P CA 0.068 63.158 63.100 -0.016 0.000 0.763 444 P CB 0.368 32.059 31.700 -0.016 0.000 0.807 445 I N 2.269 122.826 120.570 -0.022 0.000 2.571 445 I HA 0.216 4.386 4.170 0.001 0.000 0.289 445 I C 0.411 176.513 176.117 -0.025 0.000 1.115 445 I CA -0.288 60.999 61.300 -0.020 0.000 1.045 445 I CB 1.730 39.719 38.000 -0.018 0.000 1.238 445 I HN 0.174 nan 8.210 nan 0.000 0.424 446 D N 4.826 125.213 120.400 -0.021 0.000 2.371 446 D HA 0.012 4.652 4.640 0.001 0.000 0.221 446 D C -0.273 176.013 176.300 -0.023 0.000 0.986 446 D CA 1.100 55.087 54.000 -0.021 0.000 0.899 446 D CB 0.090 40.880 40.800 -0.017 0.000 0.902 446 D HN 0.751 nan 8.370 nan 0.000 0.530 447 D N -1.522 118.863 120.400 -0.025 0.000 2.710 447 D HA 0.131 4.772 4.640 0.001 0.000 0.276 447 D C -1.314 174.968 176.300 -0.031 0.000 1.267 447 D CA -0.686 53.299 54.000 -0.026 0.000 0.772 447 D CB 1.386 42.172 40.800 -0.023 0.000 1.299 447 D HN -0.086 nan 8.370 nan 0.000 0.421 448 C N 1.654 120.934 119.300 -0.034 0.000 2.833 448 C HA 0.510 4.971 4.460 0.001 0.000 0.383 448 C C -2.737 172.227 174.990 -0.045 0.000 1.058 448 C CA -0.756 58.237 59.018 -0.042 0.000 1.259 448 C CB 0.936 28.646 27.740 -0.050 0.000 1.726 448 C HN 0.507 nan 8.230 nan 0.000 0.484 449 P HA 0.280 nan 4.420 nan 0.000 0.271 449 P C -0.146 177.121 177.300 -0.054 0.000 1.233 449 P CA 0.207 63.282 63.100 -0.042 0.000 0.789 449 P CB 0.640 32.317 31.700 -0.039 0.000 0.951 450 A N 0.327 123.119 122.820 -0.047 0.000 2.425 450 A HA 0.452 4.772 4.320 0.001 0.000 0.242 450 A C 1.330 178.867 177.584 -0.078 0.000 1.077 450 A CA 0.620 52.621 52.037 -0.060 0.000 0.781 450 A CB -1.309 17.677 19.000 -0.024 0.000 1.020 450 A HN 0.892 nan 8.150 nan 0.000 0.494 451 G N 0.987 109.709 108.800 -0.130 0.000 2.141 451 G HA2 -0.183 3.777 3.960 0.001 0.000 0.231 451 G HA3 -0.183 3.777 3.960 0.001 0.000 0.231 451 G C -0.120 174.696 174.900 -0.139 0.000 0.984 451 G CA 0.173 45.195 45.100 -0.130 0.000 0.660 451 G HN 0.891 nan 8.290 nan 0.000 0.525 452 N N -0.766 117.835 118.700 -0.165 0.000 2.380 452 N HA 0.664 5.404 4.740 0.001 0.000 0.290 452 N C -1.148 174.252 175.510 -0.184 0.000 1.236 452 N CA -0.784 52.185 53.050 -0.136 0.000 0.780 452 N CB 1.633 40.065 38.487 -0.093 0.000 1.438 452 N HN -0.007 nan 8.380 nan 0.000 0.491 453 I N 1.684 122.170 120.570 -0.141 0.000 2.331 453 I HA 0.398 4.568 4.170 0.001 0.000 0.292 453 I C -0.254 175.781 176.117 -0.136 0.000 0.998 453 I CA -0.213 60.972 61.300 -0.192 0.000 1.267 453 I CB 0.835 38.772 38.000 -0.105 0.000 1.386 453 I HN 0.434 nan 8.210 nan 0.000 0.476 454 I N 4.455 124.903 120.570 -0.204 0.000 3.102 454 I HA 0.812 4.983 4.170 0.001 0.000 0.310 454 I C -0.313 175.756 176.117 -0.079 0.000 1.246 454 I CA -0.276 60.968 61.300 -0.094 0.000 0.979 454 I CB 2.321 40.270 38.000 -0.084 0.000 1.267 454 I HN 0.512 nan 8.210 nan 0.000 0.451 455 G N 4.136 112.945 108.800 0.016 0.000 2.473 455 G HA2 0.726 4.687 3.960 0.001 0.000 0.321 455 G HA3 0.726 4.687 3.960 0.001 0.000 0.321 455 G C -1.748 173.147 174.900 -0.008 0.000 1.200 455 G CA -0.632 44.508 45.100 0.066 0.000 0.963 455 G HN 0.588 nan 8.290 nan 0.000 0.483 456 L N 0.358 121.587 121.223 0.010 0.000 2.381 456 L HA 0.579 4.919 4.340 0.001 0.000 0.268 456 L C -0.741 176.087 176.870 -0.070 0.000 0.997 456 L CA -1.168 53.652 54.840 -0.034 0.000 0.818 456 L CB 2.538 44.602 42.059 0.008 0.000 1.310 456 L HN 0.186 nan 8.230 nan 0.000 0.416 457 V N 1.282 121.105 119.914 -0.151 0.000 2.378 457 V HA 0.688 4.809 4.120 0.001 0.000 0.288 457 V C 0.567 176.670 176.094 0.016 0.000 1.016 457 V CA 0.055 62.246 62.300 -0.181 0.000 0.840 457 V CB 1.185 32.735 31.823 -0.456 0.000 0.994 457 V HN 1.042 nan 8.190 nan 0.000 0.431 458 G N 4.583 113.458 108.800 0.126 0.000 2.186 458 G HA2 -0.130 3.830 3.960 0.001 0.000 0.130 458 G HA3 -0.130 3.830 3.960 0.001 0.000 0.130 458 G C -0.212 174.792 174.900 0.175 0.000 1.031 458 G CA -0.017 45.160 45.100 0.128 0.000 0.697 458 G HN 0.638 nan 8.290 nan 0.000 0.494 459 I N 0.837 121.506 120.570 0.165 0.000 4.338 459 I HA 0.190 4.360 4.170 0.001 0.000 0.329 459 I C 1.803 177.961 176.117 0.069 0.000 1.378 459 I CA 0.465 61.888 61.300 0.204 0.000 1.170 459 I CB 0.542 38.641 38.000 0.165 0.000 1.206 459 I HN 0.191 nan 8.210 nan 0.000 0.432 460 D N 1.442 121.875 120.400 0.056 0.000 2.354 460 D HA -0.230 4.410 4.640 0.001 0.000 0.216 460 D C 1.385 177.613 176.300 -0.119 0.000 0.970 460 D CA 0.901 54.927 54.000 0.044 0.000 0.905 460 D CB -0.103 40.828 40.800 0.218 0.000 0.903 460 D HN 0.509 nan 8.370 nan 0.000 0.508 461 Q N -0.796 118.798 119.800 -0.344 0.000 2.247 461 Q HA 0.083 4.423 4.340 0.001 0.000 0.211 461 Q C 0.539 176.031 176.000 -0.846 0.000 0.861 461 Q CA -0.058 55.397 55.803 -0.581 0.000 0.949 461 Q CB -0.206 28.108 28.738 -0.706 0.000 1.115 461 Q HN 0.262 nan 8.270 nan 0.000 0.507 462 F N 0.177 119.952 119.950 -0.291 0.000 2.747 462 F HA 0.398 4.925 4.527 0.001 0.000 0.305 462 F C 0.652 176.266 175.800 -0.310 0.000 1.065 462 F CA -0.207 57.471 58.000 -0.537 0.000 1.230 462 F CB 0.883 39.562 39.000 -0.535 0.000 1.027 462 F HN -0.136 nan 8.300 nan 0.000 0.607 463 L N 1.062 122.273 121.223 -0.019 0.000 2.325 463 L HA 0.280 4.620 4.340 0.001 0.000 0.281 463 L C 0.815 177.643 176.870 -0.069 0.000 1.004 463 L CA -0.593 54.240 54.840 -0.012 0.000 0.823 463 L CB 2.203 44.271 42.059 0.015 0.000 1.236 463 L HN 0.032 nan 8.230 nan 0.000 0.415 464 L N 4.151 125.337 121.223 -0.062 0.000 1.961 464 L HA -0.132 4.208 4.340 0.001 0.000 0.210 464 L C 1.630 178.401 176.870 -0.165 0.000 1.072 464 L CA 2.205 56.979 54.840 -0.110 0.000 0.749 464 L CB -0.162 41.866 42.059 -0.052 0.000 0.889 464 L HN 0.687 nan 8.230 nan 0.000 0.432 465 K N -3.355 116.977 120.400 -0.113 0.000 2.770 465 K HA 0.235 4.556 4.320 0.001 0.000 0.195 465 K C -0.139 176.416 176.600 -0.076 0.000 1.515 465 K CA 0.392 56.572 56.287 -0.178 0.000 1.199 465 K CB 0.989 33.264 32.500 -0.375 0.000 1.681 465 K HN 0.136 nan 8.250 nan 0.000 0.586 466 T N 0.481 115.056 114.554 0.035 0.000 2.887 466 T HA 0.704 5.055 4.350 0.001 0.000 0.288 466 T C -0.437 174.264 174.700 0.001 0.000 1.021 466 T CA -0.607 61.523 62.100 0.049 0.000 1.000 466 T CB 2.068 71.082 68.868 0.243 0.000 1.034 466 T HN 0.363 nan 8.240 nan 0.000 0.467 467 G N 0.458 109.191 108.800 -0.111 0.000 2.451 467 G HA2 0.548 4.508 3.960 0.001 0.000 0.292 467 G HA3 0.548 4.508 3.960 0.001 0.000 0.292 467 G C -1.559 173.262 174.900 -0.132 0.000 1.427 467 G CA -0.623 44.438 45.100 -0.065 0.000 0.792 467 G HN 0.670 nan 8.290 nan 0.000 0.498 468 T N 0.606 115.147 114.554 -0.021 0.000 2.841 468 T HA 0.581 4.931 4.350 0.001 0.000 0.285 468 T C -0.845 173.871 174.700 0.027 0.000 0.991 468 T CA -0.302 61.819 62.100 0.035 0.000 0.966 468 T CB 1.349 70.293 68.868 0.126 0.000 0.962 468 T HN 0.337 nan 8.240 nan 0.000 0.438 469 L N 3.931 125.179 121.223 0.041 0.000 2.307 469 L HA 0.719 5.060 4.340 0.001 0.000 0.284 469 L C 0.935 177.831 176.870 0.043 0.000 1.023 469 L CA -0.120 54.732 54.840 0.019 0.000 0.810 469 L CB 1.572 43.638 42.059 0.012 0.000 1.231 469 L HN 0.906 nan 8.230 nan 0.000 0.423 470 T N -2.127 112.436 114.554 0.014 0.000 2.626 470 T HA 0.649 4.999 4.350 0.001 0.000 0.279 470 T C 0.280 174.984 174.700 0.008 0.000 0.983 470 T CA -0.049 62.071 62.100 0.033 0.000 1.059 470 T CB 1.829 70.730 68.868 0.054 0.000 1.396 470 T HN 0.349 nan 8.240 nan 0.000 0.519 471 T N -0.033 114.532 114.554 0.018 0.000 3.123 471 T HA 0.330 4.680 4.350 0.001 0.000 0.259 471 T C 0.583 175.292 174.700 0.015 0.000 0.871 471 T CA 0.109 62.212 62.100 0.006 0.000 0.857 471 T CB 0.224 69.096 68.868 0.007 0.000 1.267 471 T HN 0.698 nan 8.240 nan 0.000 0.556 472 S N 2.127 117.849 115.700 0.036 0.000 2.465 472 S HA 0.136 4.606 4.470 0.001 0.000 0.280 472 S C 1.090 175.724 174.600 0.057 0.000 1.232 472 S CA -0.189 58.041 58.200 0.049 0.000 1.066 472 S CB 0.903 64.145 63.200 0.070 0.000 0.929 472 S HN 0.433 nan 8.310 nan 0.000 0.494 473 E N 2.812 123.040 120.200 0.046 0.000 2.409 473 E HA -0.094 4.257 4.350 0.001 0.000 0.198 473 E C 0.936 177.585 176.600 0.082 0.000 1.024 473 E CA 1.214 57.646 56.400 0.053 0.000 0.861 473 E CB 0.099 29.821 29.700 0.036 0.000 0.788 473 E HN 0.796 nan 8.360 nan 0.000 0.521 474 T N -2.170 112.435 114.554 0.085 0.000 3.269 474 T HA 0.563 4.913 4.350 0.001 0.000 0.269 474 T C -0.025 174.765 174.700 0.150 0.000 0.993 474 T CA -0.282 61.873 62.100 0.090 0.000 0.909 474 T CB 0.912 69.831 68.868 0.085 0.000 1.115 474 T HN 0.130 nan 8.240 nan 0.000 0.543 475 A N 1.297 124.220 122.820 0.173 0.000 2.301 475 A HA 0.654 4.974 4.320 0.001 0.000 0.298 475 A C -0.212 177.520 177.584 0.247 0.000 1.185 475 A CA -0.542 51.659 52.037 0.273 0.000 0.830 475 A CB 0.202 19.336 19.000 0.224 0.000 1.112 475 A HN 0.641 nan 8.150 nan 0.000 0.508 476 H N 0.960 120.137 119.070 0.178 0.000 2.548 476 H HA 0.268 4.824 4.556 0.001 0.000 0.366 476 H C 0.114 175.448 175.328 0.010 0.000 1.433 476 H CA 0.028 56.073 56.048 -0.005 0.000 1.443 476 H CB 0.461 30.036 29.762 -0.311 0.000 1.594 476 H HN 0.635 nan 8.280 nan 0.000 0.608 477 N N 1.154 119.922 118.700 0.113 0.000 2.434 477 N HA 0.133 4.874 4.740 0.001 0.000 0.272 477 N C -0.570 174.966 175.510 0.045 0.000 1.040 477 N CA -0.228 52.890 53.050 0.112 0.000 0.956 477 N CB 0.843 39.411 38.487 0.135 0.000 1.108 477 N HN 0.398 nan 8.380 nan 0.000 0.481 478 M N 2.064 121.752 119.600 0.146 0.000 2.227 478 M HA 0.080 4.560 4.480 0.001 0.000 0.349 478 M C 0.503 176.907 176.300 0.173 0.000 1.443 478 M CA -0.218 55.164 55.300 0.137 0.000 1.110 478 M CB 0.205 32.951 32.600 0.244 0.000 1.773 478 M HN 0.070 nan 8.290 nan 0.000 0.463 479 K N 2.203 122.621 120.400 0.031 0.000 4.863 479 K HA -0.134 4.187 4.320 0.001 0.000 0.277 479 K C -0.384 176.317 176.600 0.169 0.000 0.662 479 K CA 0.264 56.574 56.287 0.039 0.000 0.717 479 K CB -1.793 30.680 32.500 -0.046 0.000 2.144 479 K HN 0.720 nan 8.250 nan 0.000 0.366 480 V N -0.234 119.776 119.914 0.161 0.000 2.740 480 V HA 0.187 4.308 4.120 0.001 0.000 0.303 480 V C 0.812 176.975 176.094 0.115 0.000 1.054 480 V CA -0.441 61.968 62.300 0.182 0.000 1.106 480 V CB 0.679 32.573 31.823 0.119 0.000 0.957 480 V HN 0.413 nan 8.190 nan 0.000 0.486 481 M N 4.206 123.877 119.600 0.118 0.000 2.055 481 M HA 0.409 4.889 4.480 0.001 0.000 0.347 481 M C 0.030 176.126 176.300 -0.340 0.000 1.123 481 M CA -0.274 54.977 55.300 -0.080 0.000 1.035 481 M CB 0.969 33.578 32.600 0.014 0.000 1.484 481 M HN 0.629 nan 8.290 nan 0.000 0.428 482 K N 3.282 123.488 120.400 -0.323 0.000 2.430 482 K HA 0.158 4.479 4.320 0.001 0.000 0.280 482 K C -1.334 174.969 176.600 -0.496 0.000 1.063 482 K CA 0.700 56.830 56.287 -0.262 0.000 1.071 482 K CB 0.106 32.523 32.500 -0.139 0.000 0.899 482 K HN 0.371 nan 8.250 nan 0.000 0.473 483 F N 0.963 120.940 119.950 0.046 0.000 2.539 483 F HA 0.170 4.697 4.527 0.001 0.000 0.328 483 F C 0.393 176.212 175.800 0.032 0.000 1.148 483 F CA -0.694 57.321 58.000 0.023 0.000 0.940 483 F CB 2.017 41.018 39.000 0.003 0.000 1.194 483 F HN 0.272 nan 8.300 nan 0.000 0.438 484 S N 1.951 117.780 115.700 0.215 0.000 2.489 484 S HA 0.451 4.922 4.470 0.001 0.000 0.291 484 S C 0.036 174.687 174.600 0.085 0.000 1.151 484 S CA -0.414 57.888 58.200 0.170 0.000 1.082 484 S CB 1.615 64.966 63.200 0.252 0.000 1.019 484 S HN 0.557 nan 8.310 nan 0.000 0.492 485 V N 4.835 124.775 119.914 0.044 0.000 3.421 485 V HA 0.312 4.432 4.120 0.001 0.000 0.316 485 V C 0.636 176.697 176.094 -0.055 0.000 1.347 485 V CA 0.126 62.418 62.300 -0.013 0.000 1.183 485 V CB -0.096 31.719 31.823 -0.014 0.000 1.092 485 V HN 0.828 nan 8.190 nan 0.000 0.433 486 S N 2.669 118.291 115.700 -0.129 0.000 2.430 486 S HA 0.324 4.794 4.470 0.001 0.000 0.282 486 S C -2.325 172.121 174.600 -0.257 0.000 1.186 486 S CA -1.080 56.931 58.200 -0.316 0.000 1.060 486 S CB 0.842 63.488 63.200 -0.923 0.000 0.966 486 S HN 0.377 nan 8.310 nan 0.000 0.501 487 P HA 0.093 nan 4.420 nan 0.000 0.252 487 P C 0.462 177.720 177.300 -0.070 0.000 1.694 487 P CA -0.076 63.003 63.100 -0.035 0.000 1.163 487 P CB 0.259 31.982 31.700 0.038 0.000 1.934 488 V N 1.555 121.384 119.914 -0.141 0.000 2.951 488 V HA -0.018 4.102 4.120 0.001 0.000 0.255 488 V C 1.014 177.068 176.094 -0.067 0.000 1.088 488 V CA 0.933 63.113 62.300 -0.200 0.000 1.109 488 V CB 0.123 31.742 31.823 -0.339 0.000 0.724 488 V HN 0.136 nan 8.190 nan 0.000 0.471 489 V N 1.775 121.702 119.914 0.022 0.000 2.638 489 V HA 0.568 4.689 4.120 0.001 0.000 0.306 489 V C -0.562 175.595 176.094 0.105 0.000 1.052 489 V CA -0.626 61.726 62.300 0.086 0.000 0.885 489 V CB 1.719 33.609 31.823 0.111 0.000 0.999 489 V HN 0.591 nan 8.190 nan 0.000 0.424 490 Q N 3.475 123.348 119.800 0.120 0.000 2.565 490 Q HA 0.940 5.280 4.340 0.001 0.000 0.294 490 Q C -1.591 174.459 176.000 0.083 0.000 1.005 490 Q CA -0.970 54.891 55.803 0.096 0.000 0.771 490 Q CB 2.901 31.707 28.738 0.114 0.000 1.486 490 Q HN 0.754 nan 8.270 nan 0.000 0.422 491 V N -3.682 116.255 119.914 0.039 0.000 3.147 491 V HA 0.952 5.072 4.120 0.001 0.000 0.306 491 V C -1.087 175.004 176.094 -0.004 0.000 1.209 491 V CA -0.658 61.657 62.300 0.026 0.000 1.023 491 V CB 1.391 33.224 31.823 0.017 0.000 1.059 491 V HN 1.087 nan 8.190 nan 0.000 0.435 492 A N 1.654 124.477 122.820 0.005 0.000 2.290 492 A HA 0.840 5.161 4.320 0.001 0.000 0.310 492 A C -0.449 177.135 177.584 -0.000 0.000 1.202 492 A CA -0.634 51.404 52.037 0.001 0.000 0.837 492 A CB 1.161 20.177 19.000 0.027 0.000 1.139 492 A HN 1.399 nan 8.150 nan 0.000 0.509 493 V N 3.049 122.965 119.914 0.003 0.000 2.398 493 V HA 0.518 4.639 4.120 0.001 0.000 0.286 493 V C -0.180 175.919 176.094 0.008 0.000 1.026 493 V CA -0.418 61.877 62.300 -0.008 0.000 0.868 493 V CB 1.314 33.115 31.823 -0.036 0.000 0.982 493 V HN 0.921 nan 8.190 nan 0.000 0.443 494 E N 2.738 122.936 120.200 -0.004 0.000 2.308 494 E HA 0.394 4.745 4.350 0.001 0.000 0.275 494 E C -1.003 175.588 176.600 -0.014 0.000 0.890 494 E CA -0.561 55.841 56.400 0.003 0.000 0.754 494 E CB 2.460 32.172 29.700 0.021 0.000 1.207 494 E HN 0.540 nan 8.360 nan 0.000 0.426 495 V N 1.950 121.851 119.914 -0.022 0.000 2.572 495 V HA 0.229 4.349 4.120 0.001 0.000 0.291 495 V C 1.411 177.500 176.094 -0.008 0.000 1.039 495 V CA -0.131 62.155 62.300 -0.022 0.000 1.055 495 V CB 1.182 32.987 31.823 -0.029 0.000 0.969 495 V HN 0.747 nan 8.190 nan 0.000 0.482 496 K N 3.140 123.536 120.400 -0.006 0.000 2.217 496 K HA 0.007 4.327 4.320 0.001 0.000 0.202 496 K C 0.545 177.146 176.600 0.001 0.000 1.051 496 K CA 0.740 57.027 56.287 -0.000 0.000 0.952 496 K CB 0.148 32.649 32.500 0.002 0.000 0.736 496 K HN 0.825 nan 8.250 nan 0.000 0.453 497 N N 0.390 119.089 118.700 -0.002 0.000 2.444 497 N HA 0.124 4.865 4.740 0.001 0.000 0.262 497 N C -0.059 175.450 175.510 -0.003 0.000 0.974 497 N CA 0.052 53.102 53.050 -0.001 0.000 0.933 497 N CB 1.893 40.379 38.487 -0.000 0.000 1.137 497 N HN 0.120 nan 8.380 nan 0.000 0.498 498 A N 3.035 125.855 122.820 0.000 0.000 1.972 498 A HA -0.197 4.124 4.320 0.001 0.000 0.219 498 A C 1.799 179.383 177.584 -0.000 0.000 1.169 498 A CA 1.194 53.231 52.037 0.001 0.000 0.635 498 A CB -0.269 18.733 19.000 0.004 0.000 0.810 498 A HN 0.774 nan 8.150 nan 0.000 0.446 499 N N 0.180 118.879 118.700 -0.001 0.000 2.309 499 N HA -0.125 4.615 4.740 0.001 0.000 0.182 499 N C -0.001 175.506 175.510 -0.004 0.000 1.018 499 N CA 1.351 54.401 53.050 -0.001 0.000 0.876 499 N CB -0.594 37.893 38.487 -0.000 0.000 0.972 499 N HN 0.338 nan 8.380 nan 0.000 0.434 500 D N 0.768 121.163 120.400 -0.007 0.000 2.325 500 D HA 0.052 4.693 4.640 0.001 0.000 0.234 500 D C 1.703 177.990 176.300 -0.022 0.000 1.122 500 D CA -0.204 53.789 54.000 -0.012 0.000 0.850 500 D CB 0.149 40.943 40.800 -0.010 0.000 0.921 500 D HN 0.278 nan 8.370 nan 0.000 0.513 501 L N 1.343 122.554 121.223 -0.020 0.000 1.990 501 L HA -0.134 4.206 4.340 0.001 0.000 0.213 501 L C -0.786 176.059 176.870 -0.042 0.000 1.072 501 L CA 1.806 56.628 54.840 -0.031 0.000 0.755 501 L CB -0.941 41.112 42.059 -0.010 0.000 0.889 501 L HN -0.010 nan 8.230 nan 0.000 0.432 502 P HA -0.183 nan 4.420 nan 0.000 0.218 502 P C 1.053 178.336 177.300 -0.029 0.000 1.148 502 P CA 1.560 64.648 63.100 -0.020 0.000 0.822 502 P CB -0.043 31.653 31.700 -0.007 0.000 0.784 503 K N -1.039 119.344 120.400 -0.029 0.000 2.147 503 K HA -0.115 4.205 4.320 0.001 0.000 0.205 503 K C 1.921 178.496 176.600 -0.041 0.000 1.049 503 K CA 0.888 57.160 56.287 -0.025 0.000 0.936 503 K CB -0.725 31.765 32.500 -0.017 0.000 0.722 503 K HN 0.099 nan 8.250 nan 0.000 0.446 504 L N 0.939 122.117 121.223 -0.075 0.000 2.044 504 L HA -0.113 4.227 4.340 0.001 0.000 0.205 504 L C 1.960 178.737 176.870 -0.156 0.000 1.075 504 L CA 1.436 56.203 54.840 -0.122 0.000 0.747 504 L CB -0.331 41.623 42.059 -0.175 0.000 0.903 504 L HN -0.133 nan 8.230 nan 0.000 0.435 505 V N -0.115 119.698 119.914 -0.168 0.000 2.568 505 V HA -0.265 3.855 4.120 0.001 0.000 0.253 505 V C 2.612 178.678 176.094 -0.046 0.000 1.072 505 V CA 1.837 64.065 62.300 -0.119 0.000 1.084 505 V CB -0.742 31.059 31.823 -0.038 0.000 0.676 505 V HN 0.524 nan 8.190 nan 0.000 0.469 506 E N 0.793 120.971 120.200 -0.036 0.000 2.122 506 E HA -0.006 4.344 4.350 0.001 0.000 0.190 506 E C 2.263 178.861 176.600 -0.003 0.000 0.977 506 E CA 1.190 57.583 56.400 -0.011 0.000 0.820 506 E CB -0.643 29.055 29.700 -0.003 0.000 0.770 506 E HN 0.433 nan 8.360 nan 0.000 0.462 507 G N 0.851 109.648 108.800 -0.006 0.000 2.418 507 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 507 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 507 G C 1.554 176.425 174.900 -0.048 0.000 1.158 507 G CA 0.951 46.068 45.100 0.029 0.000 0.771 507 G HN 0.275 nan 8.290 nan 0.000 0.545 508 L N -0.081 121.098 121.223 -0.073 0.000 2.027 508 L HA -0.036 4.304 4.340 0.001 0.000 0.206 508 L C 2.910 179.739 176.870 -0.068 0.000 1.074 508 L CA 1.339 56.126 54.840 -0.088 0.000 0.745 508 L CB -0.334 41.695 42.059 -0.051 0.000 0.898 508 L HN 0.159 nan 8.230 nan 0.000 0.433 509 K N -0.314 120.069 120.400 -0.028 0.000 2.280 509 K HA -0.183 4.137 4.320 0.001 0.000 0.202 509 K C 2.170 178.758 176.600 -0.020 0.000 1.047 509 K CA 0.909 57.189 56.287 -0.012 0.000 0.942 509 K CB -0.112 32.391 32.500 0.004 0.000 0.739 509 K HN 0.206 nan 8.250 nan 0.000 0.457 510 R N 0.632 121.117 120.500 -0.025 0.000 2.210 510 R HA 0.005 4.345 4.340 0.001 0.000 0.203 510 R C 2.021 178.277 176.300 -0.072 0.000 1.010 510 R CA 0.253 56.364 56.100 0.019 0.000 1.008 510 R CB 0.143 30.517 30.300 0.123 0.000 0.923 510 R HN 0.078 nan 8.270 nan 0.000 0.469 511 L N 0.020 121.064 121.223 -0.298 0.000 2.162 511 L HA 0.106 4.446 4.340 0.001 0.000 0.205 511 L C 1.672 178.434 176.870 -0.181 0.000 1.086 511 L CA 1.673 56.196 54.840 -0.528 0.000 0.778 511 L CB -0.174 41.547 42.059 -0.564 0.000 0.928 511 L HN -0.049 nan 8.230 nan 0.000 0.446 512 S N -0.315 115.334 115.700 -0.085 0.000 2.447 512 S HA -0.110 4.361 4.470 0.001 0.000 0.233 512 S C 1.776 176.421 174.600 0.075 0.000 1.006 512 S CA 1.010 59.210 58.200 0.001 0.000 0.957 512 S CB -0.235 62.973 63.200 0.014 0.000 0.773 512 S HN 0.474 nan 8.310 nan 0.000 0.507 513 K N 1.230 121.663 120.400 0.055 0.000 2.305 513 K HA 0.062 4.383 4.320 0.001 0.000 0.199 513 K C 1.972 178.668 176.600 0.160 0.000 1.047 513 K CA 1.084 57.421 56.287 0.084 0.000 0.976 513 K CB -0.017 32.465 32.500 -0.030 0.000 0.765 513 K HN 0.419 nan 8.250 nan 0.000 0.474 514 S N 0.116 115.895 115.700 0.131 0.000 2.575 514 S HA 0.020 4.491 4.470 0.001 0.000 0.215 514 S C -0.013 174.697 174.600 0.184 0.000 0.966 514 S CA -0.138 58.161 58.200 0.165 0.000 0.911 514 S CB 0.207 63.522 63.200 0.192 0.000 0.780 514 S HN 0.066 nan 8.310 nan 0.000 0.514 515 D N 0.705 121.205 120.400 0.167 0.000 2.726 515 D HA 0.237 4.877 4.640 0.001 0.000 0.203 515 D C -2.623 173.674 176.300 -0.004 0.000 1.297 515 D CA -1.272 52.769 54.000 0.068 0.000 0.863 515 D CB 2.149 42.996 40.800 0.079 0.000 1.669 515 D HN -0.132 nan 8.370 nan 0.000 0.561 516 P HA 0.036 nan 4.420 nan 0.000 0.229 516 P C 1.169 178.406 177.300 -0.104 0.000 1.160 516 P CA 0.369 63.329 63.100 -0.233 0.000 0.777 516 P CB 0.432 31.860 31.700 -0.454 0.000 0.814 517 C N -0.797 118.477 119.300 -0.043 0.000 2.674 517 C HA 0.213 4.674 4.460 0.001 0.000 0.276 517 C C 1.405 176.482 174.990 0.144 0.000 1.300 517 C CA -0.169 58.851 59.018 0.004 0.000 1.732 517 C CB -0.284 27.387 27.740 -0.116 0.000 2.076 517 C HN 0.052 nan 8.230 nan 0.000 0.548 518 V N 2.172 122.189 119.914 0.172 0.000 2.649 518 V HA 0.536 4.657 4.120 0.001 0.000 0.292 518 V C -0.763 175.373 176.094 0.070 0.000 1.055 518 V CA -0.128 62.250 62.300 0.129 0.000 1.023 518 V CB 1.447 33.281 31.823 0.019 0.000 0.992 518 V HN 0.292 nan 8.190 nan 0.000 0.480 519 L N 6.237 127.508 121.223 0.080 0.000 2.376 519 L HA 0.733 5.073 4.340 0.001 0.000 0.275 519 L C -0.150 176.788 176.870 0.112 0.000 0.987 519 L CA 0.137 55.044 54.840 0.113 0.000 0.828 519 L CB 2.080 44.235 42.059 0.161 0.000 1.249 519 L HN 0.861 nan 8.230 nan 0.000 0.409 520 T N 2.088 116.700 114.554 0.097 0.000 2.815 520 T HA 0.721 5.071 4.350 0.001 0.000 0.289 520 T C -0.718 174.053 174.700 0.118 0.000 1.000 520 T CA -0.426 61.694 62.100 0.033 0.000 0.958 520 T CB 0.766 69.633 68.868 -0.001 0.000 0.944 520 T HN 0.566 nan 8.240 nan 0.000 0.442 521 Y N 0.982 121.300 120.300 0.030 0.000 2.644 521 Y HA 0.808 5.359 4.550 0.001 0.000 0.338 521 Y C -1.036 174.861 175.900 -0.005 0.000 1.119 521 Y CA -1.944 56.163 58.100 0.011 0.000 1.060 521 Y CB 1.532 39.985 38.460 -0.013 0.000 1.294 521 Y HN 0.548 nan 8.280 nan 0.000 0.472 522 M N 2.757 122.455 119.600 0.164 0.000 2.404 522 M HA 0.516 4.997 4.480 0.001 0.000 0.338 522 M C -0.145 176.296 176.300 0.234 0.000 1.150 522 M CA -0.776 54.534 55.300 0.017 0.000 1.016 522 M CB 2.133 34.681 32.600 -0.087 0.000 1.672 522 M HN 0.932 nan 8.290 nan 0.000 0.448 523 S N 0.759 116.548 115.700 0.149 0.000 2.694 523 S HA 0.316 4.786 4.470 0.001 0.000 0.278 523 S C 0.731 175.425 174.600 0.156 0.000 1.152 523 S CA -0.759 57.572 58.200 0.219 0.000 1.010 523 S CB 0.989 64.274 63.200 0.142 0.000 1.104 523 S HN 0.750 nan 8.310 nan 0.000 0.547 524 E N 0.779 121.043 120.200 0.107 0.000 2.106 524 E HA -0.106 4.244 4.350 0.001 0.000 0.192 524 E C 1.940 178.489 176.600 -0.085 0.000 0.984 524 E CA 1.390 57.730 56.400 -0.100 0.000 0.806 524 E CB -0.276 29.287 29.700 -0.229 0.000 0.750 524 E HN 0.791 nan 8.360 nan 0.000 0.458 525 S N -0.599 115.077 115.700 -0.040 0.000 2.603 525 S HA 0.058 4.528 4.470 0.001 0.000 0.229 525 S C 1.544 176.125 174.600 -0.031 0.000 0.972 525 S CA 0.514 58.696 58.200 -0.031 0.000 0.935 525 S CB 0.060 63.258 63.200 -0.003 0.000 0.769 525 S HN 0.376 nan 8.310 nan 0.000 0.536 526 G N 0.802 109.576 108.800 -0.043 0.000 2.155 526 G HA2 -0.277 3.683 3.960 0.001 0.000 0.257 526 G HA3 -0.277 3.683 3.960 0.001 0.000 0.257 526 G C -0.266 174.551 174.900 -0.137 0.000 0.983 526 G CA 0.231 45.284 45.100 -0.078 0.000 0.676 526 G HN 0.642 nan 8.290 nan 0.000 0.528 527 E N 0.025 120.172 120.200 -0.089 0.000 2.354 527 E HA 0.452 4.802 4.350 0.001 0.000 0.269 527 E C -0.080 176.412 176.600 -0.180 0.000 1.036 527 E CA -0.532 55.824 56.400 -0.073 0.000 0.876 527 E CB 0.477 30.181 29.700 0.005 0.000 1.009 527 E HN 0.585 nan 8.360 nan 0.000 0.416 528 H N 1.703 120.742 119.070 -0.052 0.000 2.580 528 H HA 0.234 4.790 4.556 0.001 0.000 0.322 528 H C -0.204 175.018 175.328 -0.177 0.000 1.082 528 H CA -0.215 55.770 56.048 -0.106 0.000 1.383 528 H CB 0.509 30.228 29.762 -0.072 0.000 1.450 528 H HN 0.219 nan 8.280 nan 0.000 0.505 529 I N 3.197 123.614 120.570 -0.255 0.000 2.740 529 I HA 0.362 4.532 4.170 0.001 0.000 0.303 529 I C -0.482 175.443 176.117 -0.321 0.000 1.044 529 I CA -0.933 60.143 61.300 -0.373 0.000 1.064 529 I CB 1.957 39.511 38.000 -0.745 0.000 1.249 529 I HN 0.302 nan 8.210 nan 0.000 0.433 530 V N 3.226 123.036 119.914 -0.173 0.000 2.569 530 V HA 0.765 4.885 4.120 0.001 0.000 0.301 530 V C -0.105 175.977 176.094 -0.021 0.000 1.044 530 V CA -0.523 61.723 62.300 -0.089 0.000 0.874 530 V CB 1.740 33.520 31.823 -0.072 0.000 1.002 530 V HN 0.948 nan 8.190 nan 0.000 0.424 531 A N 3.404 126.245 122.820 0.037 0.000 2.356 531 A HA 1.037 5.358 4.320 0.001 0.000 0.323 531 A C 0.102 177.746 177.584 0.098 0.000 1.119 531 A CA -0.029 52.059 52.037 0.086 0.000 0.790 531 A CB 1.987 21.075 19.000 0.147 0.000 1.273 531 A HN 1.150 nan 8.150 nan 0.000 0.452 532 G N -1.084 107.796 108.800 0.133 0.000 2.818 532 G HA2 0.491 4.451 3.960 0.001 0.000 0.286 532 G HA3 0.491 4.451 3.960 0.001 0.000 0.286 532 G C 0.303 175.355 174.900 0.254 0.000 1.364 532 G CA 0.381 45.660 45.100 0.298 0.000 0.938 532 G HN 0.575 nan 8.290 nan 0.000 0.490 533 T N -0.656 114.079 114.554 0.300 0.000 2.985 533 T HA 0.356 4.706 4.350 0.001 0.000 0.266 533 T C 0.998 175.792 174.700 0.157 0.000 1.076 533 T CA 1.164 63.310 62.100 0.076 0.000 1.135 533 T CB -0.002 68.796 68.868 -0.118 0.000 0.890 533 T HN 1.029 nan 8.240 nan 0.000 0.480 534 G N -0.213 108.683 108.800 0.161 0.000 2.682 534 G HA2 0.432 4.392 3.960 0.001 0.000 0.303 534 G HA3 0.432 4.392 3.960 0.001 0.000 0.303 534 G C 0.124 175.062 174.900 0.063 0.000 1.341 534 G CA -0.313 44.848 45.100 0.101 0.000 0.784 534 G HN 0.006 nan 8.290 nan 0.000 0.497 535 E N -0.947 119.239 120.200 -0.023 0.000 2.038 535 E HA -0.163 4.187 4.350 0.001 0.000 0.195 535 E C 2.394 179.014 176.600 0.034 0.000 1.000 535 E CA 1.603 58.025 56.400 0.037 0.000 0.803 535 E CB -0.091 29.626 29.700 0.028 0.000 0.750 535 E HN 0.297 nan 8.360 nan 0.000 0.448 536 L N 1.116 122.321 121.223 -0.030 0.000 1.994 536 L HA -0.215 4.125 4.340 0.001 0.000 0.208 536 L C 2.575 179.418 176.870 -0.045 0.000 1.071 536 L CA 2.333 57.118 54.840 -0.091 0.000 0.745 536 L CB -0.828 41.105 42.059 -0.211 0.000 0.892 536 L HN 0.330 nan 8.230 nan 0.000 0.431 537 H N -0.806 118.219 119.070 -0.075 0.000 2.319 537 H HA -0.234 4.323 4.556 0.001 0.000 0.297 537 H C 2.166 177.502 175.328 0.013 0.000 1.097 537 H CA 2.399 58.443 56.048 -0.007 0.000 1.285 537 H CB 0.007 29.781 29.762 0.020 0.000 1.368 537 H HN 0.407 nan 8.280 nan 0.000 0.495 538 L N 1.483 122.674 121.223 -0.054 0.000 2.056 538 L HA -0.118 4.222 4.340 0.001 0.000 0.207 538 L C 2.534 179.355 176.870 -0.082 0.000 1.078 538 L CA 2.153 56.939 54.840 -0.091 0.000 0.749 538 L CB -0.790 41.285 42.059 0.026 0.000 0.901 538 L HN 0.224 nan 8.230 nan 0.000 0.433 539 E N 0.163 120.337 120.200 -0.042 0.000 2.049 539 E HA -0.251 4.100 4.350 0.001 0.000 0.198 539 E C 2.023 178.591 176.600 -0.053 0.000 1.007 539 E CA 2.315 58.693 56.400 -0.037 0.000 0.809 539 E CB -0.485 29.193 29.700 -0.038 0.000 0.749 539 E HN 0.606 nan 8.360 nan 0.000 0.450 540 I N -0.233 120.301 120.570 -0.061 0.000 2.179 540 I HA -0.323 3.848 4.170 0.001 0.000 0.242 540 I C 2.481 178.575 176.117 -0.038 0.000 1.088 540 I CA 1.091 62.380 61.300 -0.017 0.000 1.357 540 I CB -0.366 37.674 38.000 0.067 0.000 1.051 540 I HN 0.230 nan 8.210 nan 0.000 0.409 541 C N 0.584 119.814 119.300 -0.115 0.000 2.403 541 C HA -0.137 4.323 4.460 0.001 0.000 0.282 541 C C 2.704 177.643 174.990 -0.084 0.000 1.297 541 C CA 0.655 59.600 59.018 -0.122 0.000 1.785 541 C CB -1.267 26.331 27.740 -0.237 0.000 1.963 541 C HN 0.458 nan 8.230 nan 0.000 0.507 542 L N 0.014 121.187 121.223 -0.084 0.000 2.023 542 L HA -0.174 4.166 4.340 0.001 0.000 0.205 542 L C 2.795 179.592 176.870 -0.122 0.000 1.073 542 L CA 1.489 56.278 54.840 -0.085 0.000 0.745 542 L CB -0.862 41.157 42.059 -0.067 0.000 0.900 542 L HN 0.381 nan 8.230 nan 0.000 0.435 543 Q N 0.312 120.044 119.800 -0.114 0.000 2.045 543 Q HA -0.259 4.081 4.340 0.001 0.000 0.206 543 Q C 1.826 177.663 176.000 -0.270 0.000 0.991 543 Q CA 2.128 57.804 55.803 -0.212 0.000 0.851 543 Q CB -0.318 28.425 28.738 0.009 0.000 0.911 543 Q HN 0.458 nan 8.270 nan 0.000 0.418 544 D N 0.454 120.835 120.400 -0.032 0.000 2.182 544 D HA -0.165 4.475 4.640 0.001 0.000 0.201 544 D C 1.636 178.012 176.300 0.127 0.000 0.986 544 D CA 0.726 54.763 54.000 0.061 0.000 0.847 544 D CB -0.124 40.771 40.800 0.157 0.000 0.942 544 D HN 0.080 nan 8.370 nan 0.000 0.467 545 L N 0.584 121.878 121.223 0.119 0.000 2.044 545 L HA -0.051 4.289 4.340 0.001 0.000 0.205 545 L C 1.920 178.780 176.870 -0.016 0.000 1.075 545 L CA 1.663 56.584 54.840 0.134 0.000 0.747 545 L CB -0.292 41.763 42.059 -0.008 0.000 0.903 545 L HN -0.045 nan 8.230 nan 0.000 0.435 546 E N -2.054 118.035 120.200 -0.185 0.000 2.347 546 E HA -0.183 4.167 4.350 0.001 0.000 0.196 546 E C 1.344 177.879 176.600 -0.109 0.000 1.008 546 E CA 0.649 56.925 56.400 -0.206 0.000 0.852 546 E CB 0.119 29.634 29.700 -0.308 0.000 0.783 546 E HN 0.645 nan 8.360 nan 0.000 0.505 547 H N -0.828 118.246 119.070 0.006 0.000 2.615 547 H HA 0.154 4.710 4.556 0.001 0.000 0.275 547 H C 0.847 176.148 175.328 -0.046 0.000 0.981 547 H CA 0.435 56.474 56.048 -0.016 0.000 1.252 547 H CB 0.525 30.278 29.762 -0.016 0.000 1.447 547 H HN 0.137 nan 8.280 nan 0.000 0.498 548 D N -0.396 120.013 120.400 0.014 0.000 3.136 548 D HA 0.013 4.653 4.640 0.001 0.000 0.254 548 D C 2.023 178.245 176.300 -0.129 0.000 1.563 548 D CA -0.001 53.927 54.000 -0.119 0.000 1.225 548 D CB -0.019 40.607 40.800 -0.291 0.000 1.079 548 D HN 0.242 nan 8.370 nan 0.000 0.314 549 H N 1.288 120.350 119.070 -0.013 0.000 2.321 549 H HA -0.105 4.451 4.556 0.001 0.000 0.295 549 H C 1.684 176.996 175.328 -0.027 0.000 1.102 549 H CA 1.954 57.987 56.048 -0.024 0.000 1.266 549 H CB 0.090 29.833 29.762 -0.033 0.000 1.363 549 H HN 0.159 nan 8.280 nan 0.000 0.492 550 A N -0.461 122.414 122.820 0.091 0.000 1.970 550 A HA 0.380 4.700 4.320 0.001 0.000 0.204 550 A C 1.921 179.514 177.584 0.015 0.000 1.325 550 A CA 0.975 53.030 52.037 0.030 0.000 0.767 550 A CB -0.157 18.844 19.000 0.002 0.000 0.949 550 A HN 0.480 nan 8.150 nan 0.000 0.481 551 G N -0.772 108.041 108.800 0.021 0.000 2.272 551 G HA2 -0.055 3.906 3.960 0.001 0.000 0.280 551 G HA3 -0.055 3.906 3.960 0.001 0.000 0.280 551 G C -0.198 174.718 174.900 0.027 0.000 1.067 551 G CA 0.351 45.470 45.100 0.033 0.000 0.902 551 G HN 1.154 nan 8.290 nan 0.000 0.500 552 V N -0.169 119.755 119.914 0.017 0.000 2.760 552 V HA 0.500 4.621 4.120 0.001 0.000 0.309 552 V C -2.176 173.923 176.094 0.008 0.000 1.077 552 V CA -1.835 60.470 62.300 0.009 0.000 0.910 552 V CB 2.566 34.386 31.823 -0.006 0.000 1.008 552 V HN 0.086 nan 8.190 nan 0.000 0.424 553 P HA 0.099 nan 4.420 nan 0.000 0.253 553 P C -0.838 176.461 177.300 -0.002 0.000 1.170 553 P CA 0.670 63.779 63.100 0.014 0.000 0.806 553 P CB 0.046 31.755 31.700 0.014 0.000 0.775 554 L N 3.636 124.852 121.223 -0.011 0.000 2.325 554 L HA 0.476 4.817 4.340 0.001 0.000 0.278 554 L C 0.753 177.614 176.870 -0.015 0.000 1.023 554 L CA -0.757 54.070 54.840 -0.022 0.000 0.811 554 L CB 1.896 43.930 42.059 -0.042 0.000 1.249 554 L HN 0.184 nan 8.230 nan 0.000 0.431 555 K N 3.666 124.059 120.400 -0.012 0.000 2.389 555 K HA 0.457 4.777 4.320 0.001 0.000 0.261 555 K C -0.530 176.066 176.600 -0.008 0.000 1.014 555 K CA -0.572 55.711 56.287 -0.007 0.000 0.920 555 K CB 0.834 33.333 32.500 -0.001 0.000 1.149 555 K HN 0.404 nan 8.250 nan 0.000 0.444 556 I N 0.910 121.474 120.570 -0.010 0.000 4.389 556 I HA 0.379 4.549 4.170 0.001 0.000 0.227 556 I C 0.640 176.753 176.117 -0.005 0.000 1.528 556 I CA -0.626 60.668 61.300 -0.010 0.000 1.068 556 I CB 0.385 38.376 38.000 -0.015 0.000 1.669 556 I HN 0.722 nan 8.210 nan 0.000 0.686 557 S N -0.727 114.970 115.700 -0.005 0.000 2.565 557 S HA 0.607 5.077 4.470 0.001 0.000 0.269 557 S C -3.063 171.532 174.600 -0.007 0.000 1.153 557 S CA -1.094 57.102 58.200 -0.007 0.000 0.835 557 S CB 1.015 64.212 63.200 -0.005 0.000 1.122 557 S HN 0.261 nan 8.310 nan 0.000 0.462 558 P HA 0.201 nan 4.420 nan 0.000 0.267 558 P C -2.529 174.762 177.300 -0.015 0.000 1.195 558 P CA -0.632 62.445 63.100 -0.039 0.000 0.773 558 P CB -0.457 31.207 31.700 -0.061 0.000 0.837 559 P HA 0.003 nan 4.420 nan 0.000 0.264 559 P C -0.631 176.742 177.300 0.121 0.000 1.229 559 P CA 0.464 63.615 63.100 0.085 0.000 0.780 559 P CB 0.189 31.979 31.700 0.150 0.000 0.808 560 V N 5.400 125.407 119.914 0.155 0.000 2.481 560 V HA 0.159 4.279 4.120 0.001 0.000 0.286 560 V C 0.730 176.962 176.094 0.230 0.000 1.042 560 V CA -0.725 61.688 62.300 0.189 0.000 0.928 560 V CB 2.056 33.978 31.823 0.166 0.000 0.986 560 V HN 0.262 nan 8.190 nan 0.000 0.462 561 V N 4.015 124.081 119.914 0.253 0.000 2.546 561 V HA 0.533 4.653 4.120 0.001 0.000 0.284 561 V C 0.678 176.809 176.094 0.061 0.000 1.050 561 V CA -0.435 61.927 62.300 0.104 0.000 0.981 561 V CB 1.507 33.322 31.823 -0.015 0.000 0.990 561 V HN 1.008 nan 8.190 nan 0.000 0.474 562 A N 4.987 127.799 122.820 -0.013 0.000 2.366 562 A HA 0.650 4.970 4.320 0.001 0.000 0.272 562 A C -0.886 176.737 177.584 0.065 0.000 1.135 562 A CA -0.043 52.054 52.037 0.099 0.000 0.804 562 A CB -0.029 19.050 19.000 0.132 0.000 1.064 562 A HN 0.727 nan 8.150 nan 0.000 0.499 563 Y N 0.864 121.324 120.300 0.267 0.000 2.650 563 Y HA 0.746 5.296 4.550 0.001 0.000 0.331 563 Y C 0.491 176.369 175.900 -0.036 0.000 1.082 563 Y CA -0.706 57.569 58.100 0.292 0.000 1.171 563 Y CB 1.534 40.231 38.460 0.394 0.000 1.326 563 Y HN 0.644 nan 8.280 nan 0.000 0.513 564 R N 0.557 121.088 120.500 0.051 0.000 2.740 564 R HA 0.402 4.742 4.340 0.001 0.000 0.282 564 R C -1.547 174.734 176.300 -0.032 0.000 0.969 564 R CA -1.111 54.839 56.100 -0.251 0.000 0.918 564 R CB 1.446 31.343 30.300 -0.673 0.000 1.175 564 R HN 0.617 nan 8.270 nan 0.000 0.464 565 E N 0.702 120.861 120.200 -0.068 0.000 2.113 565 E HA 0.361 4.712 4.350 0.001 0.000 0.273 565 E C -0.617 176.125 176.600 0.237 0.000 0.924 565 E CA -0.418 56.050 56.400 0.112 0.000 0.764 565 E CB 2.160 31.835 29.700 -0.042 0.000 1.104 565 E HN 0.380 nan 8.360 nan 0.000 0.406 566 T N 1.059 115.759 114.554 0.242 0.000 2.888 566 T HA 0.594 4.944 4.350 0.001 0.000 0.288 566 T C -1.043 173.589 174.700 -0.114 0.000 1.063 566 T CA -0.690 61.478 62.100 0.114 0.000 1.010 566 T CB 1.503 70.389 68.868 0.031 0.000 1.214 566 T HN 0.267 nan 8.240 nan 0.000 0.533 567 V N 0.908 120.697 119.914 -0.208 0.000 2.815 567 V HA 0.765 4.886 4.120 0.001 0.000 0.314 567 V C 0.370 176.372 176.094 -0.153 0.000 1.064 567 V CA -0.610 61.495 62.300 -0.324 0.000 0.952 567 V CB 1.707 33.277 31.823 -0.421 0.000 1.020 567 V HN 0.916 nan 8.190 nan 0.000 0.439 568 E N 1.559 121.677 120.200 -0.137 0.000 2.447 568 E HA 0.267 4.617 4.350 0.001 0.000 0.204 568 E C 0.736 177.292 176.600 -0.073 0.000 0.977 568 E CA 0.856 57.210 56.400 -0.077 0.000 0.950 568 E CB 0.586 30.252 29.700 -0.057 0.000 0.975 568 E HN 1.104 nan 8.360 nan 0.000 0.496 569 S N -1.816 113.825 115.700 -0.098 0.000 2.819 569 S HA 0.386 4.856 4.470 0.001 0.000 0.299 569 S C -0.558 173.983 174.600 -0.099 0.000 1.192 569 S CA -1.043 57.105 58.200 -0.086 0.000 0.847 569 S CB 1.218 64.372 63.200 -0.077 0.000 1.224 569 S HN 0.030 nan 8.310 nan 0.000 0.537 570 E N 0.580 120.727 120.200 -0.089 0.000 2.319 570 E HA 0.431 4.781 4.350 0.001 0.000 0.268 570 E C -0.690 175.851 176.600 -0.099 0.000 1.050 570 E CA -0.512 55.834 56.400 -0.090 0.000 0.878 570 E CB 0.972 30.624 29.700 -0.081 0.000 1.066 570 E HN 0.585 nan 8.360 nan 0.000 0.406 571 S N 1.838 117.481 115.700 -0.095 0.000 2.596 571 S HA -0.092 4.378 4.470 0.001 0.000 0.298 571 S C 1.341 175.867 174.600 -0.124 0.000 1.255 571 S CA 0.345 58.479 58.200 -0.111 0.000 1.083 571 S CB 0.562 63.715 63.200 -0.078 0.000 0.837 571 S HN 0.643 nan 8.310 nan 0.000 0.499 572 S N 2.532 118.134 115.700 -0.164 0.000 2.419 572 S HA -0.160 4.311 4.470 0.001 0.000 0.235 572 S C 0.543 175.049 174.600 -0.157 0.000 1.019 572 S CA 0.801 58.906 58.200 -0.158 0.000 0.982 572 S CB -0.421 62.668 63.200 -0.186 0.000 0.789 572 S HN 0.881 nan 8.310 nan 0.000 0.490 573 Q N -1.317 118.371 119.800 -0.187 0.000 2.534 573 Q HA 0.471 4.812 4.340 0.001 0.000 0.290 573 Q C -1.523 174.441 176.000 -0.061 0.000 0.991 573 Q CA -1.044 54.683 55.803 -0.127 0.000 0.783 573 Q CB 0.642 29.283 28.738 -0.161 0.000 1.470 573 Q HN -0.039 nan 8.270 nan 0.000 0.406 574 T N 1.441 116.010 114.554 0.025 0.000 2.902 574 T HA 0.369 4.720 4.350 0.001 0.000 0.301 574 T C -0.152 174.659 174.700 0.186 0.000 1.012 574 T CA 0.454 62.610 62.100 0.094 0.000 1.151 574 T CB 0.376 69.323 68.868 0.130 0.000 0.946 574 T HN 0.571 nan 8.240 nan 0.000 0.542 575 A N 3.585 126.490 122.820 0.142 0.000 2.301 575 A HA 0.670 4.990 4.320 0.001 0.000 0.298 575 A C -0.474 177.080 177.584 -0.050 0.000 1.185 575 A CA -0.649 51.482 52.037 0.156 0.000 0.830 575 A CB 0.282 19.368 19.000 0.143 0.000 1.112 575 A HN 0.718 nan 8.150 nan 0.000 0.508 576 L N 2.303 123.271 121.223 -0.426 0.000 2.410 576 L HA 0.823 5.164 4.340 0.001 0.000 0.270 576 L C -0.394 176.082 176.870 -0.657 0.000 0.983 576 L CA 0.120 54.570 54.840 -0.651 0.000 0.822 576 L CB 2.133 43.785 42.059 -0.679 0.000 1.285 576 L HN 0.619 nan 8.230 nan 0.000 0.409 577 S N 3.737 119.171 115.700 -0.442 0.000 2.546 577 S HA 0.659 5.129 4.470 0.001 0.000 0.274 577 S C -1.499 172.961 174.600 -0.232 0.000 1.121 577 S CA -0.735 57.304 58.200 -0.269 0.000 0.887 577 S CB 1.302 64.423 63.200 -0.132 0.000 1.094 577 S HN 0.800 nan 8.310 nan 0.000 0.474 578 K N 1.666 121.974 120.400 -0.152 0.000 2.316 578 K HA 0.572 4.892 4.320 0.001 0.000 0.251 578 K C -0.188 176.367 176.600 -0.075 0.000 0.934 578 K CA -0.621 55.597 56.287 -0.114 0.000 0.802 578 K CB 1.520 33.961 32.500 -0.098 0.000 1.171 578 K HN 0.787 nan 8.250 nan 0.000 0.426 579 S N 2.825 118.492 115.700 -0.055 0.000 2.584 579 S HA 0.118 4.589 4.470 0.001 0.000 0.270 579 S C -1.918 172.647 174.600 -0.058 0.000 1.346 579 S CA -0.951 57.224 58.200 -0.042 0.000 1.018 579 S CB 0.708 63.899 63.200 -0.015 0.000 0.899 579 S HN 0.488 nan 8.310 nan 0.000 0.542 580 P HA -0.170 nan 4.420 nan 0.000 0.217 580 P C 0.966 178.215 177.300 -0.085 0.000 1.151 580 P CA 1.619 64.683 63.100 -0.060 0.000 0.849 580 P CB -0.296 31.376 31.700 -0.048 0.000 0.787 581 N N -0.931 117.714 118.700 -0.091 0.000 2.521 581 N HA -0.088 4.653 4.740 0.001 0.000 0.188 581 N C 0.366 175.634 175.510 -0.403 0.000 1.146 581 N CA 0.522 53.476 53.050 -0.160 0.000 0.893 581 N CB -0.698 37.773 38.487 -0.026 0.000 0.975 581 N HN -0.028 nan 8.380 nan 0.000 0.451 582 K N -1.453 118.794 120.400 -0.256 0.000 3.446 582 K HA -0.243 4.077 4.320 0.001 0.000 0.312 582 K C -0.213 176.251 176.600 -0.227 0.000 1.329 582 K CA 1.376 57.515 56.287 -0.247 0.000 0.935 582 K CB -2.625 29.718 32.500 -0.262 0.000 1.281 582 K HN 0.670 nan 8.250 nan 0.000 0.457 583 H N -0.369 118.725 119.070 0.040 0.000 2.648 583 H HA 0.202 4.758 4.556 0.001 0.000 0.265 583 H C 0.369 175.752 175.328 0.092 0.000 0.961 583 H CA -0.179 55.926 56.048 0.095 0.000 1.185 583 H CB 0.471 30.328 29.762 0.159 0.000 1.449 583 H HN 0.149 nan 8.280 nan 0.000 0.523 584 N N 1.137 119.919 118.700 0.137 0.000 2.269 584 N HA 0.400 5.140 4.740 0.001 0.000 0.304 584 N C -0.770 174.755 175.510 0.025 0.000 1.072 584 N CA -0.517 52.592 53.050 0.098 0.000 0.802 584 N CB 2.695 41.233 38.487 0.086 0.000 1.348 584 N HN 0.145 nan 8.380 nan 0.000 0.484 585 R N 0.839 121.351 120.500 0.019 0.000 2.744 585 R HA 0.666 5.007 4.340 0.001 0.000 0.279 585 R C -0.665 175.571 176.300 -0.107 0.000 0.977 585 R CA -0.627 55.410 56.100 -0.105 0.000 0.906 585 R CB 2.256 32.473 30.300 -0.139 0.000 1.197 585 R HN 0.471 nan 8.270 nan 0.000 0.463 586 I N 2.484 122.896 120.570 -0.264 0.000 2.499 586 I HA 0.339 4.509 4.170 0.001 0.000 0.288 586 I C -1.230 174.695 176.117 -0.320 0.000 1.048 586 I CA -0.776 60.431 61.300 -0.156 0.000 1.062 586 I CB 1.632 39.590 38.000 -0.070 0.000 1.238 586 I HN 0.491 nan 8.210 nan 0.000 0.426 587 Y N 6.926 127.201 120.300 -0.043 0.000 2.377 587 Y HA 0.723 5.273 4.550 0.001 0.000 0.339 587 Y C -0.206 175.666 175.900 -0.048 0.000 1.011 587 Y CA -0.985 57.088 58.100 -0.044 0.000 1.093 587 Y CB 1.710 40.149 38.460 -0.035 0.000 1.201 587 Y HN 0.391 nan 8.280 nan 0.000 0.455 588 L N -0.130 121.148 121.223 0.092 0.000 2.720 588 L HA 0.772 5.113 4.340 0.001 0.000 0.261 588 L C -1.650 175.242 176.870 0.037 0.000 1.046 588 L CA -1.469 53.394 54.840 0.038 0.000 0.886 588 L CB 2.226 44.292 42.059 0.012 0.000 1.493 588 L HN 0.434 nan 8.230 nan 0.000 0.407 589 K N 0.413 120.818 120.400 0.008 0.000 2.498 589 K HA 0.899 5.219 4.320 0.001 0.000 0.254 589 K C -1.353 175.244 176.600 -0.005 0.000 0.933 589 K CA -0.656 55.631 56.287 -0.001 0.000 0.806 589 K CB 2.552 35.038 32.500 -0.023 0.000 1.301 589 K HN 1.031 nan 8.250 nan 0.000 0.432 590 A N 2.074 124.893 122.820 -0.001 0.000 2.306 590 A HA 0.662 4.982 4.320 0.001 0.000 0.330 590 A C -0.956 176.603 177.584 -0.042 0.000 1.146 590 A CA -0.405 51.635 52.037 0.005 0.000 0.827 590 A CB 0.748 19.770 19.000 0.038 0.000 1.178 590 A HN 0.829 nan 8.150 nan 0.000 0.490 591 E N 0.275 120.453 120.200 -0.037 0.000 2.390 591 E HA 0.549 4.899 4.350 0.001 0.000 0.280 591 E C -3.192 173.387 176.600 -0.036 0.000 0.992 591 E CA -2.153 54.211 56.400 -0.060 0.000 0.790 591 E CB 1.432 31.084 29.700 -0.081 0.000 1.248 591 E HN 0.266 nan 8.360 nan 0.000 0.447 592 P HA 0.181 nan 4.420 nan 0.000 0.271 592 P C -0.620 176.693 177.300 0.022 0.000 1.216 592 P CA -0.018 63.074 63.100 -0.014 0.000 0.776 592 P CB 0.476 32.162 31.700 -0.024 0.000 0.881 593 I N 2.693 123.302 120.570 0.064 0.000 2.353 593 I HA 0.164 4.334 4.170 0.001 0.000 0.293 593 I C 0.596 176.774 176.117 0.101 0.000 0.992 593 I CA -0.653 60.718 61.300 0.119 0.000 1.268 593 I CB 0.645 38.735 38.000 0.150 0.000 1.387 593 I HN 0.177 nan 8.210 nan 0.000 0.478 594 D N 6.338 126.814 120.400 0.127 0.000 2.488 594 D HA -0.064 4.577 4.640 0.001 0.000 0.238 594 D C 1.141 177.501 176.300 0.100 0.000 1.138 594 D CA 0.223 54.291 54.000 0.113 0.000 0.873 594 D CB 1.141 42.032 40.800 0.151 0.000 1.183 594 D HN 0.518 nan 8.370 nan 0.000 0.458 595 E N 2.255 122.509 120.200 0.090 0.000 2.114 595 E HA -0.231 4.119 4.350 0.001 0.000 0.199 595 E C 1.512 178.165 176.600 0.089 0.000 1.008 595 E CA 1.305 57.758 56.400 0.089 0.000 0.810 595 E CB 0.175 29.929 29.700 0.090 0.000 0.739 595 E HN 0.561 nan 8.360 nan 0.000 0.456 596 E N -0.110 120.156 120.200 0.110 0.000 2.085 596 E HA -0.154 4.196 4.350 0.001 0.000 0.194 596 E C 2.224 178.839 176.600 0.024 0.000 0.994 596 E CA 1.357 57.842 56.400 0.141 0.000 0.801 596 E CB -0.011 29.843 29.700 0.256 0.000 0.743 596 E HN 0.096 nan 8.360 nan 0.000 0.453 597 V N 0.879 120.765 119.914 -0.047 0.000 2.453 597 V HA -0.199 3.921 4.120 0.001 0.000 0.247 597 V C 2.273 178.290 176.094 -0.127 0.000 1.048 597 V CA 1.571 63.714 62.300 -0.262 0.000 1.049 597 V CB -0.278 31.483 31.823 -0.103 0.000 0.672 597 V HN 0.174 nan 8.190 nan 0.000 0.457 598 S N 0.384 116.080 115.700 -0.006 0.000 2.348 598 S HA -0.129 4.342 4.470 0.001 0.000 0.221 598 S C 1.950 176.574 174.600 0.040 0.000 1.033 598 S CA 1.617 59.837 58.200 0.034 0.000 1.010 598 S CB -0.414 62.822 63.200 0.061 0.000 0.891 598 S HN 0.456 nan 8.310 nan 0.000 0.442 599 L N 1.251 122.507 121.223 0.056 0.000 2.043 599 L HA -0.206 4.134 4.340 0.001 0.000 0.212 599 L C 2.754 179.650 176.870 0.043 0.000 1.075 599 L CA 1.308 56.193 54.840 0.074 0.000 0.752 599 L CB -0.727 41.383 42.059 0.085 0.000 0.891 599 L HN 0.333 nan 8.230 nan 0.000 0.432 600 A N 0.056 122.867 122.820 -0.014 0.000 1.933 600 A HA -0.156 4.164 4.320 0.001 0.000 0.218 600 A C 2.213 179.772 177.584 -0.041 0.000 1.175 600 A CA 1.481 53.490 52.037 -0.046 0.000 0.628 600 A CB -0.572 18.287 19.000 -0.236 0.000 0.814 600 A HN 0.382 nan 8.150 nan 0.000 0.444 601 I N -0.654 119.894 120.570 -0.038 0.000 2.233 601 I HA -0.212 3.959 4.170 0.001 0.000 0.243 601 I C 2.355 178.476 176.117 0.006 0.000 1.093 601 I CA 1.432 62.729 61.300 -0.004 0.000 1.380 601 I CB -0.451 37.593 38.000 0.072 0.000 1.067 601 I HN 0.380 nan 8.210 nan 0.000 0.413 602 E N 0.765 120.989 120.200 0.041 0.000 2.265 602 E HA -0.160 4.191 4.350 0.001 0.000 0.196 602 E C 0.936 177.575 176.600 0.064 0.000 0.996 602 E CA 0.752 57.190 56.400 0.063 0.000 0.832 602 E CB -0.072 29.695 29.700 0.112 0.000 0.756 602 E HN 0.406 nan 8.360 nan 0.000 0.491 603 N N -0.686 118.048 118.700 0.057 0.000 2.276 603 N HA 0.072 4.812 4.740 0.001 0.000 0.212 603 N C 0.781 176.323 175.510 0.053 0.000 1.127 603 N CA 0.738 53.827 53.050 0.065 0.000 0.834 603 N CB 1.222 39.751 38.487 0.070 0.000 1.014 603 N HN 0.270 nan 8.380 nan 0.000 0.491 604 G N 1.119 109.936 108.800 0.028 0.000 2.347 604 G HA2 -0.359 3.601 3.960 0.001 0.000 0.247 604 G HA3 -0.359 3.601 3.960 0.001 0.000 0.247 604 G C 1.188 176.087 174.900 -0.002 0.000 1.037 604 G CA 0.474 45.583 45.100 0.015 0.000 0.622 604 G HN 0.372 nan 8.290 nan 0.000 0.521 605 I N 1.054 121.632 120.570 0.013 0.000 2.087 605 I HA -0.141 4.029 4.170 0.001 0.000 0.240 605 I C 1.515 177.634 176.117 0.004 0.000 1.054 605 I CA 1.552 62.866 61.300 0.024 0.000 1.311 605 I CB -0.268 37.773 38.000 0.068 0.000 1.024 605 I HN 0.229 nan 8.210 nan 0.000 0.402 606 I N 2.103 122.655 120.570 -0.029 0.000 2.291 606 I HA 0.086 4.256 4.170 0.001 0.000 0.292 606 I C -0.007 176.058 176.117 -0.087 0.000 1.064 606 I CA -0.020 61.256 61.300 -0.039 0.000 1.269 606 I CB 0.032 37.988 38.000 -0.073 0.000 1.418 606 I HN 0.208 nan 8.210 nan 0.000 0.485 607 N N 8.500 127.140 118.700 -0.101 0.000 2.392 607 N HA 0.329 5.069 4.740 0.001 0.000 0.283 607 N C -1.995 173.332 175.510 -0.306 0.000 1.003 607 N CA -1.953 50.972 53.050 -0.209 0.000 0.892 607 N CB 2.626 41.055 38.487 -0.097 0.000 1.193 607 N HN 0.128 nan 8.380 nan 0.000 0.487 608 P HA -0.034 nan 4.420 nan 0.000 0.218 608 P C 0.533 177.762 177.300 -0.118 0.000 1.148 608 P CA 1.345 64.069 63.100 -0.625 0.000 0.822 608 P CB 0.410 31.669 31.700 -0.736 0.000 0.784 609 R N -1.564 118.875 120.500 -0.101 0.000 2.300 609 R HA 0.102 4.442 4.340 0.001 0.000 0.199 609 R C 0.258 176.571 176.300 0.022 0.000 0.920 609 R CA -0.043 56.048 56.100 -0.015 0.000 1.046 609 R CB -0.219 30.073 30.300 -0.015 0.000 0.984 609 R HN 0.230 nan 8.270 nan 0.000 0.493 610 D N 1.162 121.572 120.400 0.017 0.000 2.360 610 D HA -0.037 4.603 4.640 0.001 0.000 0.242 610 D C -0.325 176.022 176.300 0.079 0.000 1.184 610 D CA -0.116 53.905 54.000 0.035 0.000 0.930 610 D CB 0.420 41.230 40.800 0.016 0.000 1.161 610 D HN -0.068 nan 8.370 nan 0.000 0.447 611 D N -0.295 120.140 120.400 0.059 0.000 2.487 611 D HA -0.079 4.562 4.640 0.001 0.000 0.243 611 D C 1.099 177.439 176.300 0.066 0.000 1.154 611 D CA -0.008 54.034 54.000 0.070 0.000 0.876 611 D CB 0.175 40.966 40.800 -0.015 0.000 1.161 611 D HN 0.356 nan 8.370 nan 0.000 0.478 612 F N 2.940 122.914 119.950 0.040 0.000 2.216 612 F HA -0.033 4.494 4.527 0.001 0.000 0.300 612 F C 1.705 177.529 175.800 0.040 0.000 1.085 612 F CA 0.672 58.702 58.000 0.050 0.000 1.326 612 F CB -0.225 38.809 39.000 0.058 0.000 1.027 612 F HN 0.233 nan 8.300 nan 0.000 0.497 613 K N 0.906 120.745 120.400 -0.935 0.000 2.062 613 K HA 0.048 4.369 4.320 0.001 0.000 0.205 613 K C 2.483 178.925 176.600 -0.263 0.000 1.051 613 K CA 1.022 56.908 56.287 -0.667 0.000 0.941 613 K CB -0.431 31.642 32.500 -0.713 0.000 0.719 613 K HN 0.377 nan 8.250 nan 0.000 0.440 614 A N 1.538 124.244 122.820 -0.189 0.000 1.898 614 A HA -0.165 4.155 4.320 0.001 0.000 0.216 614 A C 2.088 179.645 177.584 -0.046 0.000 1.181 614 A CA 1.319 53.301 52.037 -0.090 0.000 0.620 614 A CB -0.432 18.530 19.000 -0.063 0.000 0.819 614 A HN 0.207 nan 8.150 nan 0.000 0.442 615 R N -0.291 120.193 120.500 -0.026 0.000 2.081 615 R HA -0.119 4.222 4.340 0.001 0.000 0.235 615 R C 2.273 178.572 176.300 -0.002 0.000 1.131 615 R CA 1.503 57.609 56.100 0.009 0.000 0.960 615 R CB -0.414 29.921 30.300 0.058 0.000 0.856 615 R HN 0.430 nan 8.270 nan 0.000 0.436 616 A N 0.915 123.733 122.820 -0.005 0.000 1.902 616 A HA -0.201 4.119 4.320 0.001 0.000 0.217 616 A C 2.156 179.753 177.584 0.022 0.000 1.181 616 A CA 1.590 53.635 52.037 0.013 0.000 0.623 616 A CB -0.527 18.497 19.000 0.040 0.000 0.818 616 A HN 0.296 nan 8.150 nan 0.000 0.443 617 R N 0.131 120.629 120.500 -0.003 0.000 2.103 617 R HA -0.080 4.260 4.340 0.001 0.000 0.242 617 R C 1.794 178.111 176.300 0.027 0.000 1.142 617 R CA 1.889 57.992 56.100 0.005 0.000 0.960 617 R CB -0.678 29.610 30.300 -0.021 0.000 0.858 617 R HN 0.613 nan 8.270 nan 0.000 0.439 618 I N -0.411 120.179 120.570 0.033 0.000 2.252 618 I HA -0.277 3.894 4.170 0.001 0.000 0.245 618 I C 2.166 178.375 176.117 0.152 0.000 1.102 618 I CA 1.371 62.714 61.300 0.072 0.000 1.385 618 I CB -0.189 37.861 38.000 0.083 0.000 1.064 618 I HN 0.224 nan 8.210 nan 0.000 0.414 619 M N 0.179 119.844 119.600 0.107 0.000 2.175 619 M HA -0.142 4.338 4.480 0.001 0.000 0.264 619 M C 2.493 178.933 176.300 0.233 0.000 1.063 619 M CA 1.811 57.175 55.300 0.106 0.000 1.119 619 M CB -0.462 31.966 32.600 -0.287 0.000 1.377 619 M HN 0.283 nan 8.290 nan 0.000 0.415 620 A N 0.426 123.355 122.820 0.181 0.000 1.872 620 A HA -0.134 4.187 4.320 0.001 0.000 0.214 620 A C 1.725 179.381 177.584 0.120 0.000 1.187 620 A CA 1.677 53.829 52.037 0.192 0.000 0.614 620 A CB -0.536 18.547 19.000 0.139 0.000 0.826 620 A HN 0.337 nan 8.150 nan 0.000 0.442 621 D N 0.044 120.482 120.400 0.064 0.000 2.183 621 D HA -0.060 4.580 4.640 0.001 0.000 0.203 621 D C 0.646 176.913 176.300 -0.055 0.000 0.969 621 D CA 1.210 55.214 54.000 0.007 0.000 0.842 621 D CB -0.154 40.641 40.800 -0.008 0.000 0.957 621 D HN 0.401 nan 8.370 nan 0.000 0.484 622 D N -1.539 118.789 120.400 -0.120 0.000 2.441 622 D HA 0.043 4.683 4.640 0.001 0.000 0.210 622 D C 0.313 176.211 176.300 -0.671 0.000 1.102 622 D CA 0.130 53.873 54.000 -0.429 0.000 0.840 622 D CB 0.487 40.915 40.800 -0.620 0.000 0.990 622 D HN 0.285 nan 8.370 nan 0.000 0.505 623 Y N -0.460 119.899 120.300 0.099 0.000 2.779 623 Y HA 0.326 4.877 4.550 0.001 0.000 0.251 623 Y C 1.328 177.384 175.900 0.258 0.000 1.145 623 Y CA -0.497 57.701 58.100 0.164 0.000 1.201 623 Y CB 0.928 39.481 38.460 0.155 0.000 1.281 623 Y HN -0.066 nan 8.280 nan 0.000 0.563 624 G N 0.184 109.145 108.800 0.269 0.000 2.305 624 G HA2 -0.320 3.641 3.960 0.001 0.000 0.287 624 G HA3 -0.320 3.641 3.960 0.001 0.000 0.287 624 G C -0.355 174.688 174.900 0.239 0.000 1.036 624 G CA -0.092 45.127 45.100 0.199 0.000 0.887 624 G HN 0.320 nan 8.290 nan 0.000 0.505 625 W N 0.142 121.489 121.300 0.079 0.000 2.449 625 W HA 0.535 5.196 4.660 0.001 0.000 0.331 625 W C 0.196 176.738 176.519 0.039 0.000 1.119 625 W CA -0.719 56.661 57.345 0.059 0.000 1.240 625 W CB 0.844 30.347 29.460 0.072 0.000 1.251 625 W HN 0.070 nan 8.180 nan 0.000 0.576 626 D N 2.057 122.549 120.400 0.154 0.000 2.382 626 D HA -0.050 4.591 4.640 0.001 0.000 0.259 626 D C 1.228 177.652 176.300 0.206 0.000 1.224 626 D CA 0.267 54.338 54.000 0.119 0.000 0.894 626 D CB 1.590 42.406 40.800 0.026 0.000 1.127 626 D HN 0.230 nan 8.370 nan 0.000 0.487 627 V N 3.710 123.721 119.914 0.162 0.000 2.688 627 V HA -0.272 3.849 4.120 0.001 0.000 0.256 627 V C 2.208 178.391 176.094 0.149 0.000 1.084 627 V CA 2.624 65.016 62.300 0.153 0.000 1.103 627 V CB -0.471 31.410 31.823 0.097 0.000 0.688 627 V HN 0.769 nan 8.190 nan 0.000 0.480 628 T N -2.751 111.876 114.554 0.123 0.000 2.708 628 T HA -0.201 4.149 4.350 0.001 0.000 0.266 628 T C 1.647 176.428 174.700 0.135 0.000 1.037 628 T CA 1.563 63.728 62.100 0.108 0.000 1.146 628 T CB -0.528 68.379 68.868 0.066 0.000 0.865 628 T HN 0.490 nan 8.240 nan 0.000 0.435 629 D N 2.106 122.601 120.400 0.159 0.000 2.097 629 D HA 0.071 4.712 4.640 0.001 0.000 0.197 629 D C 2.572 179.059 176.300 0.313 0.000 0.984 629 D CA 1.488 55.610 54.000 0.204 0.000 0.826 629 D CB -0.794 40.106 40.800 0.167 0.000 0.973 629 D HN 0.540 nan 8.370 nan 0.000 0.460 630 A N 0.915 123.971 122.820 0.394 0.000 1.978 630 A HA -0.201 4.119 4.320 0.001 0.000 0.220 630 A C 2.133 179.823 177.584 0.178 0.000 1.170 630 A CA 1.321 53.485 52.037 0.212 0.000 0.636 630 A CB -0.498 18.583 19.000 0.136 0.000 0.810 630 A HN 0.120 nan 8.150 nan 0.000 0.448 631 R N -0.880 119.756 120.500 0.228 0.000 2.236 631 R HA 0.050 4.390 4.340 0.001 0.000 0.208 631 R C 0.726 177.192 176.300 0.278 0.000 1.036 631 R CA 0.920 57.226 56.100 0.344 0.000 1.001 631 R CB -0.002 30.495 30.300 0.328 0.000 0.896 631 R HN 0.360 nan 8.270 nan 0.000 0.464 632 K N 0.622 121.133 120.400 0.186 0.000 2.699 632 K HA 0.244 4.565 4.320 0.001 0.000 0.210 632 K C -0.525 176.157 176.600 0.136 0.000 1.076 632 K CA -0.173 56.201 56.287 0.145 0.000 1.109 632 K CB 0.645 33.194 32.500 0.081 0.000 0.862 632 K HN 0.053 nan 8.250 nan 0.000 0.470 633 I N 1.297 121.943 120.570 0.126 0.000 2.517 633 I HA -0.107 4.063 4.170 0.001 0.000 0.285 633 I C 0.645 176.874 176.117 0.187 0.000 1.106 633 I CA -0.069 61.261 61.300 0.051 0.000 1.402 633 I CB 0.380 38.334 38.000 -0.077 0.000 1.399 633 I HN 0.290 nan 8.210 nan 0.000 0.535 634 W N 6.298 127.509 121.300 -0.148 0.000 2.576 634 W HA 0.105 4.765 4.660 0.001 0.000 0.275 634 W C 0.825 177.290 176.519 -0.089 0.000 1.241 634 W CA -0.213 57.062 57.345 -0.116 0.000 1.328 634 W CB -0.053 29.331 29.460 -0.127 0.000 1.092 634 W HN 0.692 nan 8.180 nan 0.000 0.586 635 C N -3.757 115.578 119.300 0.058 0.000 3.176 635 C HA 0.567 5.027 4.460 0.001 0.000 0.343 635 C C -0.681 174.297 174.990 -0.020 0.000 1.332 635 C CA -1.974 57.103 59.018 0.099 0.000 1.200 635 C CB 0.172 28.007 27.740 0.158 0.000 1.440 635 C HN -0.082 nan 8.230 nan 0.000 0.458 636 F N 0.835 120.863 119.950 0.130 0.000 2.497 636 F HA 0.857 5.385 4.527 0.001 0.000 0.331 636 F C 1.056 177.004 175.800 0.247 0.000 1.060 636 F CA 0.651 58.755 58.000 0.173 0.000 0.989 636 F CB 2.357 41.404 39.000 0.078 0.000 1.245 636 F HN 1.190 nan 8.300 nan 0.000 0.486 637 G N 0.996 110.035 108.800 0.398 0.000 2.703 637 G HA2 0.595 4.556 3.960 0.001 0.000 0.294 637 G HA3 0.595 4.556 3.960 0.001 0.000 0.294 637 G C -3.412 171.465 174.900 -0.038 0.000 1.451 637 G CA -1.369 43.798 45.100 0.112 0.000 0.869 637 G HN 0.214 nan 8.290 nan 0.000 0.516 638 P HA 0.347 nan 4.420 nan 0.000 0.302 638 P C -0.449 176.773 177.300 -0.130 0.000 1.307 638 P CA -0.204 62.781 63.100 -0.191 0.000 0.754 638 P CB 0.657 32.191 31.700 -0.276 0.000 1.298 639 D N -1.986 118.306 120.400 -0.181 0.000 2.983 639 D HA -0.192 4.448 4.640 0.001 0.000 0.225 639 D C 0.996 177.256 176.300 -0.067 0.000 1.174 639 D CA 1.739 55.651 54.000 -0.146 0.000 0.831 639 D CB -1.868 38.843 40.800 -0.149 0.000 1.104 639 D HN 0.847 nan 8.370 nan 0.000 0.421 640 G N 1.015 109.810 108.800 -0.009 0.000 2.175 640 G HA2 -0.393 3.567 3.960 0.001 0.000 0.265 640 G HA3 -0.393 3.567 3.960 0.001 0.000 0.265 640 G C 0.575 175.524 174.900 0.082 0.000 0.979 640 G CA 1.220 46.360 45.100 0.067 0.000 0.663 640 G HN 0.735 nan 8.290 nan 0.000 0.533 641 N N -0.906 117.821 118.700 0.044 0.000 2.039 641 N HA 0.327 5.067 4.740 0.001 0.000 0.228 641 N C 0.886 176.413 175.510 0.028 0.000 1.369 641 N CA 0.805 53.826 53.050 -0.048 0.000 0.806 641 N CB -0.336 38.079 38.487 -0.121 0.000 1.190 641 N HN 0.747 nan 8.380 nan 0.000 0.506 642 G N 1.071 109.929 108.800 0.097 0.000 2.606 642 G HA2 0.325 4.286 3.960 0.001 0.000 0.252 642 G HA3 0.325 4.286 3.960 0.001 0.000 0.252 642 G C -1.999 173.007 174.900 0.177 0.000 1.206 642 G CA -1.141 44.004 45.100 0.075 0.000 0.861 642 G HN 0.057 nan 8.290 nan 0.000 0.561 643 P HA 0.082 nan 4.420 nan 0.000 0.249 643 P C -0.752 176.620 177.300 0.120 0.000 1.686 643 P CA 0.174 63.347 63.100 0.122 0.000 0.873 643 P CB -0.253 31.480 31.700 0.055 0.000 1.828 644 N N 0.714 119.522 118.700 0.181 0.000 2.235 644 N HA 0.460 5.200 4.740 0.001 0.000 0.293 644 N C -0.816 174.870 175.510 0.293 0.000 1.083 644 N CA -0.528 52.665 53.050 0.238 0.000 0.801 644 N CB 2.352 40.960 38.487 0.202 0.000 1.559 644 N HN 0.035 nan 8.380 nan 0.000 0.472 645 L N 0.977 122.323 121.223 0.205 0.000 2.401 645 L HA 0.599 4.940 4.340 0.001 0.000 0.266 645 L C -0.704 175.984 176.870 -0.305 0.000 0.991 645 L CA -1.051 53.721 54.840 -0.113 0.000 0.818 645 L CB 2.567 44.540 42.059 -0.142 0.000 1.321 645 L HN 0.108 nan 8.230 nan 0.000 0.413 646 V N 3.949 123.546 119.914 -0.529 0.000 2.417 646 V HA 0.470 4.590 4.120 0.001 0.000 0.291 646 V C -0.270 175.653 176.094 -0.285 0.000 1.024 646 V CA -0.485 61.501 62.300 -0.524 0.000 0.861 646 V CB 1.942 33.360 31.823 -0.676 0.000 0.985 646 V HN 0.373 nan 8.190 nan 0.000 0.436 647 I N 3.436 123.854 120.570 -0.254 0.000 2.406 647 I HA 0.348 4.518 4.170 0.001 0.000 0.290 647 I C -0.213 175.680 176.117 -0.374 0.000 0.999 647 I CA -0.666 60.510 61.300 -0.208 0.000 1.124 647 I CB 1.684 39.647 38.000 -0.063 0.000 1.289 647 I HN 0.599 nan 8.210 nan 0.000 0.441 648 D N 6.027 126.124 120.400 -0.505 0.000 2.352 648 D HA 0.159 4.799 4.640 0.001 0.000 0.245 648 D C 0.146 176.282 176.300 -0.272 0.000 1.224 648 D CA 0.256 53.894 54.000 -0.605 0.000 0.879 648 D CB 0.670 41.012 40.800 -0.763 0.000 1.057 648 D HN 0.458 nan 8.370 nan 0.000 0.491 649 Q N 2.255 121.918 119.800 -0.228 0.000 2.165 649 Q HA 0.127 4.467 4.340 0.001 0.000 0.245 649 Q C 0.233 176.167 176.000 -0.109 0.000 0.841 649 Q CA -0.317 55.407 55.803 -0.132 0.000 1.078 649 Q CB 0.685 29.354 28.738 -0.114 0.000 1.169 649 Q HN 0.576 nan 8.270 nan 0.000 0.475 650 T N -1.000 113.482 114.554 -0.119 0.000 2.828 650 T HA 0.305 4.655 4.350 0.001 0.000 0.290 650 T C 0.091 174.763 174.700 -0.047 0.000 1.019 650 T CA -0.658 61.395 62.100 -0.078 0.000 1.031 650 T CB 1.140 69.968 68.868 -0.067 0.000 1.001 650 T HN -0.150 nan 8.240 nan 0.000 0.531 651 K N 1.111 121.487 120.400 -0.040 0.000 2.450 651 K HA 0.594 4.915 4.320 0.001 0.000 0.257 651 K C 0.171 176.758 176.600 -0.022 0.000 0.953 651 K CA -0.516 55.754 56.287 -0.029 0.000 0.844 651 K CB 1.199 33.677 32.500 -0.037 0.000 1.103 651 K HN 1.202 nan 8.250 nan 0.000 0.429 652 A N 1.696 124.509 122.820 -0.012 0.000 2.362 652 A HA -0.142 4.179 4.320 0.001 0.000 0.290 652 A C -0.152 177.421 177.584 -0.019 0.000 1.441 652 A CA 0.416 52.444 52.037 -0.015 0.000 0.743 652 A CB -1.832 17.155 19.000 -0.023 0.000 1.125 652 A HN 0.313 nan 8.150 nan 0.000 0.378 653 V N 3.165 123.080 119.914 0.000 0.000 2.347 653 V HA 0.290 4.410 4.120 0.001 0.000 0.280 653 V C 0.670 176.759 176.094 -0.009 0.000 1.021 653 V CA -0.411 61.892 62.300 0.005 0.000 0.847 653 V CB 1.496 33.345 31.823 0.043 0.000 0.990 653 V HN 0.729 nan 8.190 nan 0.000 0.444 654 Q N 3.678 123.410 119.800 -0.114 0.000 2.299 654 Q HA 0.350 4.691 4.340 0.001 0.000 0.246 654 Q C -0.068 175.752 176.000 -0.300 0.000 0.935 654 Q CA -0.453 55.170 55.803 -0.300 0.000 0.887 654 Q CB 0.734 29.129 28.738 -0.572 0.000 1.223 654 Q HN 0.787 nan 8.270 nan 0.000 0.439 655 Y N -1.830 118.509 120.300 0.065 0.000 4.916 655 Y HA -0.307 4.244 4.550 0.001 0.000 0.247 655 Y C 1.075 176.883 175.900 -0.152 0.000 0.962 655 Y CA 0.566 58.603 58.100 -0.104 0.000 1.933 655 Y CB -1.968 36.444 38.460 -0.080 0.000 1.451 655 Y HN 0.624 nan 8.280 nan 0.000 0.539 656 L N 1.593 122.913 121.223 0.162 0.000 2.089 656 L HA -0.256 4.085 4.340 0.001 0.000 0.213 656 L C 2.866 179.862 176.870 0.210 0.000 1.079 656 L CA 2.847 57.819 54.840 0.221 0.000 0.758 656 L CB -0.734 41.488 42.059 0.272 0.000 0.891 656 L HN 0.624 nan 8.230 nan 0.000 0.433 657 H N -1.146 117.999 119.070 0.126 0.000 2.457 657 H HA -0.083 4.473 4.556 0.001 0.000 0.294 657 H C 1.567 176.881 175.328 -0.022 0.000 1.064 657 H CA 1.370 57.414 56.048 -0.008 0.000 1.330 657 H CB -0.677 29.067 29.762 -0.030 0.000 1.395 657 H HN 0.571 nan 8.280 nan 0.000 0.541 658 E N 1.123 121.054 120.200 -0.448 0.000 2.409 658 E HA -0.017 4.334 4.350 0.001 0.000 0.198 658 E C 1.746 178.287 176.600 -0.097 0.000 1.024 658 E CA 1.026 57.264 56.400 -0.268 0.000 0.861 658 E CB 0.030 29.563 29.700 -0.278 0.000 0.788 658 E HN 0.756 nan 8.360 nan 0.000 0.521 659 I N -2.683 117.869 120.570 -0.030 0.000 4.025 659 I HA 0.198 4.369 4.170 0.001 0.000 0.336 659 I C 1.838 177.980 176.117 0.041 0.000 1.390 659 I CA -0.309 61.010 61.300 0.031 0.000 1.099 659 I CB 0.314 38.370 38.000 0.093 0.000 1.049 659 I HN -0.194 nan 8.210 nan 0.000 0.394 660 K N 1.824 122.170 120.400 -0.090 0.000 2.026 660 K HA -0.192 4.128 4.320 0.001 0.000 0.208 660 K C 1.406 177.908 176.600 -0.165 0.000 1.048 660 K CA 2.260 58.347 56.287 -0.334 0.000 0.929 660 K CB -0.011 32.037 32.500 -0.753 0.000 0.713 660 K HN 0.329 nan 8.250 nan 0.000 0.439 661 D N 0.156 120.489 120.400 -0.113 0.000 2.123 661 D HA -0.121 4.519 4.640 0.001 0.000 0.196 661 D C 2.000 178.309 176.300 0.015 0.000 0.992 661 D CA 1.245 55.215 54.000 -0.049 0.000 0.833 661 D CB -0.212 40.565 40.800 -0.039 0.000 0.954 661 D HN 0.157 nan 8.370 nan 0.000 0.455 662 S N -0.086 115.632 115.700 0.030 0.000 2.368 662 S HA -0.087 4.384 4.470 0.001 0.000 0.224 662 S C 2.333 176.997 174.600 0.106 0.000 1.029 662 S CA 0.446 58.683 58.200 0.063 0.000 0.988 662 S CB -0.115 63.114 63.200 0.050 0.000 0.838 662 S HN 0.086 nan 8.310 nan 0.000 0.462 663 V N 1.405 121.405 119.914 0.143 0.000 2.343 663 V HA -0.125 3.995 4.120 0.001 0.000 0.247 663 V C 2.301 178.531 176.094 0.228 0.000 1.051 663 V CA 1.360 63.789 62.300 0.216 0.000 1.036 663 V CB -0.715 31.339 31.823 0.384 0.000 0.654 663 V HN 0.327 nan 8.190 nan 0.000 0.451 664 V N 0.268 120.293 119.914 0.185 0.000 2.295 664 V HA -0.244 3.876 4.120 0.001 0.000 0.246 664 V C 2.727 178.937 176.094 0.192 0.000 1.049 664 V CA 1.997 64.407 62.300 0.185 0.000 1.024 664 V CB -1.120 30.757 31.823 0.089 0.000 0.648 664 V HN 0.553 nan 8.190 nan 0.000 0.447 665 A N 0.131 123.033 122.820 0.137 0.000 1.883 665 A HA -0.195 4.125 4.320 0.001 0.000 0.217 665 A C 2.445 180.147 177.584 0.197 0.000 1.186 665 A CA 2.350 54.469 52.037 0.137 0.000 0.624 665 A CB -0.936 18.139 19.000 0.126 0.000 0.822 665 A HN 0.597 nan 8.150 nan 0.000 0.444 666 A N -1.508 121.432 122.820 0.199 0.000 1.940 666 A HA -0.105 4.215 4.320 0.001 0.000 0.219 666 A C 2.045 179.762 177.584 0.223 0.000 1.176 666 A CA 1.743 53.897 52.037 0.196 0.000 0.631 666 A CB -0.706 18.376 19.000 0.137 0.000 0.814 666 A HN 0.668 nan 8.150 nan 0.000 0.446 667 F N 0.544 120.544 119.950 0.083 0.000 2.234 667 F HA -0.139 4.388 4.527 0.001 0.000 0.299 667 F C 2.393 178.214 175.800 0.035 0.000 1.087 667 F CA 1.763 59.802 58.000 0.066 0.000 1.340 667 F CB -0.105 38.938 39.000 0.073 0.000 1.031 667 F HN 0.209 nan 8.300 nan 0.000 0.500 668 Q N -1.008 118.798 119.800 0.009 0.000 2.170 668 Q HA -0.231 4.109 4.340 0.001 0.000 0.203 668 Q C 2.100 177.906 176.000 -0.322 0.000 0.976 668 Q CA 1.840 57.519 55.803 -0.207 0.000 0.858 668 Q CB -1.015 27.587 28.738 -0.227 0.000 0.907 668 Q HN 0.626 nan 8.270 nan 0.000 0.433 669 W N 0.323 121.559 121.300 -0.107 0.000 2.494 669 W HA 0.098 4.759 4.660 0.001 0.000 0.286 669 W C 2.412 178.857 176.519 -0.123 0.000 1.218 669 W CA 0.628 57.908 57.345 -0.108 0.000 1.313 669 W CB -0.106 29.306 29.460 -0.081 0.000 1.105 669 W HN 0.117 nan 8.180 nan 0.000 0.561 670 A N 0.139 123.008 122.820 0.081 0.000 1.902 670 A HA -0.217 4.103 4.320 0.001 0.000 0.217 670 A C 1.907 179.431 177.584 -0.100 0.000 1.181 670 A CA 2.445 54.536 52.037 0.090 0.000 0.623 670 A CB -1.391 17.648 19.000 0.065 0.000 0.818 670 A HN 0.290 nan 8.150 nan 0.000 0.443 671 T N -2.738 111.607 114.554 -0.348 0.000 3.043 671 T HA 0.025 4.375 4.350 0.001 0.000 0.263 671 T C 1.731 176.256 174.700 -0.292 0.000 1.094 671 T CA 1.351 63.211 62.100 -0.400 0.000 1.127 671 T CB -0.035 68.464 68.868 -0.616 0.000 0.905 671 T HN 0.383 nan 8.240 nan 0.000 0.490 672 K N 1.969 122.223 120.400 -0.243 0.000 2.025 672 K HA 0.013 4.334 4.320 0.001 0.000 0.207 672 K C 0.376 176.888 176.600 -0.147 0.000 1.049 672 K CA 1.048 57.203 56.287 -0.221 0.000 0.933 672 K CB 0.132 32.471 32.500 -0.269 0.000 0.714 672 K HN 0.526 nan 8.250 nan 0.000 0.438 673 E N -0.029 120.131 120.200 -0.066 0.000 2.316 673 E HA 0.275 4.626 4.350 0.001 0.000 0.254 673 E C -0.823 175.678 176.600 -0.165 0.000 0.902 673 E CA -0.622 55.720 56.400 -0.097 0.000 0.801 673 E CB 1.717 31.426 29.700 0.014 0.000 1.270 673 E HN 0.345 nan 8.360 nan 0.000 0.414 674 G N 2.694 111.275 108.800 -0.365 0.000 2.616 674 G HA2 0.187 4.147 3.960 0.001 0.000 0.268 674 G HA3 0.187 4.147 3.960 0.001 0.000 0.268 674 G C -1.416 173.048 174.900 -0.727 0.000 1.213 674 G CA -0.980 43.731 45.100 -0.647 0.000 0.926 674 G HN 0.278 nan 8.290 nan 0.000 0.523 675 P HA 0.002 nan 4.420 nan 0.000 0.229 675 P C 1.726 178.868 177.300 -0.263 0.000 1.160 675 P CA 0.577 63.183 63.100 -0.823 0.000 0.777 675 P CB 0.341 31.425 31.700 -1.028 0.000 0.814 676 I N -0.353 120.103 120.570 -0.190 0.000 2.193 676 I HA -0.110 4.060 4.170 0.001 0.000 0.240 676 I C 1.450 177.753 176.117 0.312 0.000 1.084 676 I CA 1.688 63.069 61.300 0.134 0.000 1.365 676 I CB -0.316 37.862 38.000 0.297 0.000 1.064 676 I HN -0.061 nan 8.210 nan 0.000 0.410 677 F N -1.402 118.497 119.950 -0.086 0.000 2.409 677 F HA 0.535 5.062 4.527 0.001 0.000 0.375 677 F C 0.514 176.280 175.800 -0.057 0.000 1.394 677 F CA -0.235 57.744 58.000 -0.035 0.000 1.034 677 F CB -0.394 38.612 39.000 0.011 0.000 1.629 677 F HN 0.057 nan 8.300 nan 0.000 0.484 678 G N 0.009 108.621 108.800 -0.313 0.000 2.162 678 G HA2 -0.241 3.720 3.960 0.001 0.000 0.260 678 G HA3 -0.241 3.720 3.960 0.001 0.000 0.260 678 G C 0.095 174.761 174.900 -0.388 0.000 0.976 678 G CA 0.448 45.359 45.100 -0.315 0.000 0.655 678 G HN 0.490 nan 8.290 nan 0.000 0.533 679 E N 0.715 120.542 120.200 -0.621 0.000 2.314 679 E HA 0.356 4.706 4.350 0.001 0.000 0.262 679 E C 0.653 177.038 176.600 -0.358 0.000 1.093 679 E CA -0.513 55.591 56.400 -0.493 0.000 0.908 679 E CB 0.615 29.914 29.700 -0.668 0.000 1.091 679 E HN 0.575 nan 8.360 nan 0.000 0.425 680 E N 0.892 120.924 120.200 -0.279 0.000 2.398 680 E HA 0.048 4.398 4.350 0.001 0.000 0.263 680 E C 0.102 176.535 176.600 -0.277 0.000 1.046 680 E CA 0.146 56.383 56.400 -0.271 0.000 0.908 680 E CB 0.617 30.164 29.700 -0.256 0.000 0.963 680 E HN 0.216 nan 8.360 nan 0.000 0.431 681 M N 2.023 121.470 119.600 -0.254 0.000 2.247 681 M HA 0.293 4.773 4.480 0.001 0.000 0.326 681 M C 0.185 176.388 176.300 -0.162 0.000 1.134 681 M CA 0.297 55.493 55.300 -0.174 0.000 1.136 681 M CB 0.923 33.435 32.600 -0.147 0.000 1.454 681 M HN 0.367 nan 8.290 nan 0.000 0.467 682 R N -0.275 120.169 120.500 -0.094 0.000 2.566 682 R HA 0.262 4.603 4.340 0.001 0.000 0.271 682 R C -0.863 175.423 176.300 -0.023 0.000 1.071 682 R CA -0.136 55.895 56.100 -0.116 0.000 0.915 682 R CB 1.397 31.522 30.300 -0.292 0.000 1.228 682 R HN 0.806 nan 8.270 nan 0.000 0.449 683 S N 0.640 116.348 115.700 0.012 0.000 3.682 683 S HA -0.126 4.345 4.470 0.001 0.000 0.354 683 S C -0.554 174.090 174.600 0.073 0.000 1.034 683 S CA 0.887 59.117 58.200 0.050 0.000 1.084 683 S CB -1.267 61.955 63.200 0.036 0.000 0.903 683 S HN 0.370 nan 8.310 nan 0.000 0.470 684 V N 1.658 121.637 119.914 0.109 0.000 2.357 684 V HA 0.513 4.633 4.120 0.001 0.000 0.284 684 V C 0.437 176.642 176.094 0.185 0.000 1.018 684 V CA -0.618 61.770 62.300 0.146 0.000 0.841 684 V CB 1.676 33.630 31.823 0.220 0.000 0.991 684 V HN 0.473 nan 8.190 nan 0.000 0.437 685 R N 3.913 124.492 120.500 0.133 0.000 2.460 685 R HA 0.765 5.105 4.340 0.001 0.000 0.303 685 R C -1.723 174.622 176.300 0.075 0.000 0.968 685 R CA -0.406 55.762 56.100 0.114 0.000 0.889 685 R CB 1.877 32.234 30.300 0.095 0.000 1.123 685 R HN 0.499 nan 8.270 nan 0.000 0.455 686 V N 5.018 124.950 119.914 0.031 0.000 2.407 686 V HA 0.290 4.410 4.120 0.001 0.000 0.291 686 V C -0.753 175.283 176.094 -0.096 0.000 1.018 686 V CA -1.005 61.292 62.300 -0.005 0.000 0.842 686 V CB 1.678 33.528 31.823 0.044 0.000 0.996 686 V HN 0.788 nan 8.190 nan 0.000 0.426 687 N N 5.253 123.903 118.700 -0.083 0.000 2.426 687 N HA 0.463 5.203 4.740 0.001 0.000 0.257 687 N C -0.426 175.010 175.510 -0.123 0.000 1.002 687 N CA -0.291 52.686 53.050 -0.121 0.000 0.942 687 N CB 2.164 40.588 38.487 -0.105 0.000 1.112 687 N HN 0.562 nan 8.380 nan 0.000 0.499 688 I N 3.553 124.006 120.570 -0.195 0.000 2.347 688 I HA 0.024 4.195 4.170 0.001 0.000 0.294 688 I C 1.599 177.636 176.117 -0.133 0.000 1.090 688 I CA -0.138 61.055 61.300 -0.177 0.000 1.314 688 I CB 0.661 38.475 38.000 -0.310 0.000 1.423 688 I HN 0.384 nan 8.210 nan 0.000 0.503 689 L N 4.248 125.440 121.223 -0.051 0.000 2.127 689 L HA 0.133 4.473 4.340 0.001 0.000 0.203 689 L C 0.451 177.292 176.870 -0.048 0.000 1.080 689 L CA 0.953 55.765 54.840 -0.047 0.000 0.768 689 L CB -0.145 41.903 42.059 -0.019 0.000 0.924 689 L HN 0.625 nan 8.230 nan 0.000 0.444 690 D N -2.008 118.405 120.400 0.022 0.000 2.623 690 D HA 0.511 5.151 4.640 0.001 0.000 0.241 690 D C -1.495 174.927 176.300 0.203 0.000 1.241 690 D CA -0.210 53.802 54.000 0.019 0.000 0.788 690 D CB 2.649 43.325 40.800 -0.206 0.000 1.413 690 D HN -0.303 nan 8.370 nan 0.000 0.429 691 V N 0.969 120.974 119.914 0.153 0.000 2.851 691 V HA 0.638 4.758 4.120 0.001 0.000 0.307 691 V C -0.570 175.624 176.094 0.168 0.000 1.129 691 V CA -0.773 61.638 62.300 0.184 0.000 0.932 691 V CB 2.041 33.932 31.823 0.115 0.000 1.024 691 V HN 0.773 nan 8.190 nan 0.000 0.426 692 T N 3.109 117.779 114.554 0.193 0.000 2.792 692 T HA 0.849 5.199 4.350 0.001 0.000 0.280 692 T C -0.907 173.882 174.700 0.148 0.000 0.990 692 T CA -0.565 61.631 62.100 0.159 0.000 0.960 692 T CB 1.144 70.118 68.868 0.177 0.000 0.939 692 T HN 0.392 nan 8.240 nan 0.000 0.439 693 L N 2.747 124.064 121.223 0.156 0.000 2.341 693 L HA 0.494 4.834 4.340 0.001 0.000 0.267 693 L C 0.482 177.459 176.870 0.178 0.000 1.009 693 L CA -1.412 53.535 54.840 0.178 0.000 0.819 693 L CB 1.921 44.109 42.059 0.215 0.000 1.323 693 L HN 0.726 nan 8.230 nan 0.000 0.425 694 H N 1.134 120.246 119.070 0.071 0.000 2.732 694 H HA 0.100 4.656 4.556 0.001 0.000 0.351 694 H C 0.581 175.890 175.328 -0.032 0.000 1.090 694 H CA 0.526 56.578 56.048 0.008 0.000 1.431 694 H CB 1.958 31.692 29.762 -0.046 0.000 1.447 694 H HN 0.824 nan 8.280 nan 0.000 0.582 695 A N 4.535 127.173 122.820 -0.303 0.000 1.972 695 A HA -0.122 4.199 4.320 0.001 0.000 0.219 695 A C 0.454 177.928 177.584 -0.183 0.000 1.169 695 A CA 1.135 53.079 52.037 -0.155 0.000 0.635 695 A CB -0.008 18.903 19.000 -0.149 0.000 0.810 695 A HN 0.699 nan 8.150 nan 0.000 0.446 696 D N -0.458 120.032 120.400 0.149 0.000 2.280 696 D HA 0.498 5.139 4.640 0.001 0.000 0.243 696 D C 1.015 177.297 176.300 -0.030 0.000 1.129 696 D CA 0.537 54.571 54.000 0.056 0.000 0.848 696 D CB 1.521 42.391 40.800 0.118 0.000 1.107 696 D HN 0.166 nan 8.370 nan 0.000 0.471 697 A N 3.236 125.972 122.820 -0.141 0.000 2.076 697 A HA -0.148 4.172 4.320 0.001 0.000 0.220 697 A C 1.270 178.800 177.584 -0.091 0.000 1.160 697 A CA 0.508 52.466 52.037 -0.131 0.000 0.653 697 A CB -0.315 18.602 19.000 -0.138 0.000 0.801 697 A HN 0.574 nan 8.150 nan 0.000 0.455 701 G N -0.255 108.529 108.800 -0.026 0.000 2.543 701 G HA2 0.429 4.390 3.960 0.001 0.000 0.290 701 G HA3 0.429 4.390 3.960 0.001 0.000 0.290 701 G C 1.057 175.952 174.900 -0.008 0.000 1.310 701 G CA -0.293 44.795 45.100 -0.021 0.000 1.025 701 G HN 0.185 nan 8.290 nan 0.000 0.502 702 G N -0.260 108.538 108.800 -0.004 0.000 2.505 702 G HA2 -0.108 3.853 3.960 0.001 0.000 0.220 702 G HA3 -0.108 3.853 3.960 0.001 0.000 0.220 702 G C 1.799 176.698 174.900 -0.002 0.000 1.145 702 G CA 1.611 46.715 45.100 0.006 0.000 0.761 702 G HN 0.999 nan 8.290 nan 0.000 0.571 703 G N -0.541 108.252 108.800 -0.012 0.000 2.450 703 G HA2 -0.151 3.810 3.960 0.001 0.000 0.220 703 G HA3 -0.151 3.810 3.960 0.001 0.000 0.220 703 G C 1.859 176.746 174.900 -0.022 0.000 1.130 703 G CA 1.199 46.287 45.100 -0.021 0.000 0.760 703 G HN 0.420 nan 8.290 nan 0.000 0.557 704 Q N -0.423 119.368 119.800 -0.016 0.000 2.226 704 Q HA 0.160 4.500 4.340 0.001 0.000 0.199 704 Q C 2.698 178.695 176.000 -0.005 0.000 0.945 704 Q CA 0.260 56.055 55.803 -0.013 0.000 0.861 704 Q CB -0.041 28.693 28.738 -0.008 0.000 0.953 704 Q HN 0.412 nan 8.270 nan 0.000 0.490 705 I N 0.669 121.243 120.570 0.007 0.000 2.400 705 I HA -0.104 4.066 4.170 0.001 0.000 0.248 705 I C 2.387 178.516 176.117 0.021 0.000 1.109 705 I CA 0.668 61.981 61.300 0.022 0.000 1.425 705 I CB -0.910 37.114 38.000 0.040 0.000 1.094 705 I HN 0.098 nan 8.210 nan 0.000 0.425 706 I N 1.623 122.205 120.570 0.020 0.000 2.163 706 I HA -0.233 3.938 4.170 0.001 0.000 0.243 706 I C -0.333 175.777 176.117 -0.010 0.000 1.085 706 I CA 1.897 63.212 61.300 0.024 0.000 1.347 706 I CB -1.780 36.236 38.000 0.028 0.000 1.044 706 I HN 0.156 nan 8.210 nan 0.000 0.408 707 P HA -0.074 nan 4.420 nan 0.000 0.219 707 P C 1.578 178.843 177.300 -0.058 0.000 1.150 707 P CA 1.328 64.390 63.100 -0.064 0.000 0.814 707 P CB -0.126 31.539 31.700 -0.058 0.000 0.787 708 T N -0.288 114.243 114.554 -0.037 0.000 2.674 708 T HA -0.181 4.170 4.350 0.001 0.000 0.265 708 T C 1.743 176.422 174.700 -0.036 0.000 1.039 708 T CA 1.662 63.739 62.100 -0.039 0.000 1.150 708 T CB -0.742 68.106 68.868 -0.032 0.000 0.864 708 T HN 0.049 nan 8.240 nan 0.000 0.427 709 M N 1.253 120.849 119.600 -0.007 0.000 2.175 709 M HA 0.052 4.532 4.480 0.001 0.000 0.264 709 M C 2.152 178.456 176.300 0.007 0.000 1.063 709 M CA 1.431 56.744 55.300 0.022 0.000 1.119 709 M CB -0.447 32.199 32.600 0.076 0.000 1.377 709 M HN -0.012 nan 8.290 nan 0.000 0.415 710 R N -0.500 119.966 120.500 -0.057 0.000 2.066 710 R HA -0.117 4.223 4.340 0.001 0.000 0.232 710 R C 2.334 178.428 176.300 -0.345 0.000 1.131 710 R CA 1.793 57.772 56.100 -0.203 0.000 0.955 710 R CB -0.172 29.955 30.300 -0.287 0.000 0.851 710 R HN 0.373 nan 8.270 nan 0.000 0.432 711 R N -0.287 120.080 120.500 -0.222 0.000 2.092 711 R HA -0.048 4.293 4.340 0.001 0.000 0.231 711 R C 2.270 178.591 176.300 0.036 0.000 1.119 711 R CA 1.418 57.461 56.100 -0.096 0.000 0.970 711 R CB -0.259 30.073 30.300 0.053 0.000 0.864 711 R HN 0.252 nan 8.270 nan 0.000 0.440 712 A N -0.039 122.788 122.820 0.012 0.000 1.930 712 A HA -0.131 4.189 4.320 0.001 0.000 0.217 712 A C 2.056 179.703 177.584 0.106 0.000 1.175 712 A CA 1.810 53.870 52.037 0.037 0.000 0.627 712 A CB -0.618 18.365 19.000 -0.030 0.000 0.815 712 A HN 0.272 nan 8.150 nan 0.000 0.443 713 T N -1.191 113.431 114.554 0.112 0.000 2.777 713 T HA -0.103 4.248 4.350 0.001 0.000 0.266 713 T C 1.762 176.640 174.700 0.297 0.000 1.040 713 T CA 1.462 63.686 62.100 0.207 0.000 1.141 713 T CB -0.403 68.610 68.868 0.242 0.000 0.868 713 T HN 0.478 nan 8.240 nan 0.000 0.444 714 Y N 1.743 122.001 120.300 -0.069 0.000 2.128 714 Y HA -0.020 4.530 4.550 0.001 0.000 0.284 714 Y C 2.778 178.708 175.900 0.050 0.000 1.154 714 Y CA 0.190 58.164 58.100 -0.210 0.000 1.149 714 Y CB -1.330 36.647 38.460 -0.805 0.000 0.976 714 Y HN 0.204 nan 8.280 nan 0.000 0.505 715 A N -0.119 122.902 122.820 0.334 0.000 1.877 715 A HA -0.120 4.201 4.320 0.001 0.000 0.216 715 A C 2.679 180.460 177.584 0.329 0.000 1.186 715 A CA 1.891 54.203 52.037 0.458 0.000 0.620 715 A CB -1.443 17.853 19.000 0.493 0.000 0.822 715 A HN 0.458 nan 8.150 nan 0.000 0.443 716 G N -1.410 107.534 108.800 0.241 0.000 2.418 716 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 716 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 716 G C 1.480 176.468 174.900 0.146 0.000 1.158 716 G CA 1.087 46.279 45.100 0.152 0.000 0.771 716 G HN 0.491 nan 8.290 nan 0.000 0.545 717 F N 1.176 121.165 119.950 0.066 0.000 2.069 717 F HA -0.033 4.494 4.527 0.001 0.000 0.298 717 F C 2.438 178.253 175.800 0.025 0.000 1.113 717 F CA 1.404 59.420 58.000 0.027 0.000 1.214 717 F CB -0.145 38.847 39.000 -0.014 0.000 0.978 717 F HN 0.027 nan 8.300 nan 0.000 0.474 718 L N -0.025 121.404 121.223 0.343 0.000 2.275 718 L HA -0.176 4.164 4.340 0.001 0.000 0.215 718 L C 1.965 178.883 176.870 0.080 0.000 1.119 718 L CA 0.676 55.676 54.840 0.268 0.000 0.790 718 L CB -0.515 41.791 42.059 0.412 0.000 0.919 718 L HN 0.274 nan 8.230 nan 0.000 0.443 719 L N -0.578 120.631 121.223 -0.023 0.000 2.591 719 L HA 0.105 4.446 4.340 0.001 0.000 0.228 719 L C 1.689 178.457 176.870 -0.171 0.000 1.133 719 L CA -0.068 54.651 54.840 -0.202 0.000 0.880 719 L CB -0.100 41.760 42.059 -0.332 0.000 1.033 719 L HN 0.123 nan 8.230 nan 0.000 0.450 720 A N -0.701 122.017 122.820 -0.171 0.000 2.708 720 A HA 0.154 4.475 4.320 0.001 0.000 0.293 720 A C 0.039 177.495 177.584 -0.212 0.000 1.303 720 A CA -0.268 51.654 52.037 -0.193 0.000 0.949 720 A CB -0.222 18.650 19.000 -0.213 0.000 1.121 720 A HN 0.320 nan 8.150 nan 0.000 0.542 721 D N -0.303 119.999 120.400 -0.163 0.000 3.357 721 D HA -0.092 4.549 4.640 0.001 0.000 0.238 721 D C -2.796 173.401 176.300 -0.173 0.000 1.126 721 D CA 0.337 54.261 54.000 -0.126 0.000 0.984 721 D CB -0.579 40.163 40.800 -0.097 0.000 0.925 721 D HN 0.292 nan 8.370 nan 0.000 0.414 722 P HA 0.372 nan 4.420 nan 0.000 0.271 722 P C -0.399 176.876 177.300 -0.040 0.000 1.216 722 P CA -0.071 62.917 63.100 -0.185 0.000 0.776 722 P CB 0.780 32.485 31.700 0.008 0.000 0.881 723 K N 1.376 121.776 120.400 -0.000 0.000 2.509 723 K HA 0.668 4.988 4.320 0.001 0.000 0.266 723 K C -0.724 175.955 176.600 0.131 0.000 0.987 723 K CA -0.790 55.530 56.287 0.056 0.000 0.868 723 K CB 1.559 34.077 32.500 0.029 0.000 1.421 723 K HN 0.464 nan 8.250 nan 0.000 0.444 724 I N -1.906 118.747 120.570 0.140 0.000 2.603 724 I HA 0.545 4.715 4.170 0.001 0.000 0.300 724 I C -1.027 175.219 176.117 0.214 0.000 1.017 724 I CA -0.745 60.678 61.300 0.207 0.000 1.098 724 I CB 2.124 40.264 38.000 0.233 0.000 1.279 724 I HN 0.363 nan 8.210 nan 0.000 0.437 725 Q N 3.984 123.942 119.800 0.263 0.000 2.312 725 Q HA 0.394 4.735 4.340 0.001 0.000 0.263 725 Q C -1.180 175.150 176.000 0.550 0.000 0.995 725 Q CA -0.758 55.235 55.803 0.316 0.000 0.853 725 Q CB 2.675 31.541 28.738 0.213 0.000 1.300 725 Q HN 0.759 nan 8.270 nan 0.000 0.448 726 E N 2.175 122.648 120.200 0.455 0.000 2.207 726 E HA 0.575 4.926 4.350 0.001 0.000 0.270 726 E C -2.626 174.004 176.600 0.050 0.000 0.927 726 E CA -2.359 54.224 56.400 0.305 0.000 0.799 726 E CB 1.601 31.448 29.700 0.245 0.000 1.172 726 E HN 0.165 nan 8.360 nan 0.000 0.404 727 P HA 0.149 nan 4.420 nan 0.000 0.281 727 P C -0.773 176.134 177.300 -0.655 0.000 1.249 727 P CA -0.518 62.133 63.100 -0.749 0.000 0.810 727 P CB 1.230 32.411 31.700 -0.865 0.000 1.008 728 V N 2.775 122.197 119.914 -0.819 0.000 2.733 728 V HA 0.334 4.454 4.120 0.001 0.000 0.306 728 V C -0.164 175.560 176.094 -0.618 0.000 1.084 728 V CA -0.478 61.412 62.300 -0.683 0.000 0.905 728 V CB 1.461 32.903 31.823 -0.634 0.000 1.010 728 V HN 0.330 nan 8.190 nan 0.000 0.424 729 F N 3.171 122.991 119.950 -0.217 0.000 2.380 729 F HA 0.510 5.037 4.527 0.001 0.000 0.325 729 F C 0.344 176.123 175.800 -0.035 0.000 1.136 729 F CA -0.828 57.077 58.000 -0.159 0.000 1.171 729 F CB 0.868 39.762 39.000 -0.177 0.000 1.230 729 F HN 0.252 nan 8.300 nan 0.000 0.554 730 L N 3.204 124.554 121.223 0.211 0.000 2.313 730 L HA 0.452 4.792 4.340 0.001 0.000 0.273 730 L C -1.088 175.805 176.870 0.038 0.000 1.028 730 L CA -0.621 54.331 54.840 0.187 0.000 0.871 730 L CB 0.862 43.019 42.059 0.162 0.000 1.242 730 L HN 0.399 nan 8.230 nan 0.000 0.434 731 V N 6.105 126.006 119.914 -0.021 0.000 2.320 731 V HA 0.255 4.375 4.120 0.001 0.000 0.265 731 V C 0.117 176.169 176.094 -0.070 0.000 1.048 731 V CA -0.317 61.930 62.300 -0.088 0.000 0.865 731 V CB 1.419 33.141 31.823 -0.168 0.000 1.043 731 V HN 0.826 nan 8.190 nan 0.000 0.474 732 E N 6.500 126.661 120.200 -0.065 0.000 2.249 732 E HA 0.528 4.879 4.350 0.001 0.000 0.280 732 E C -1.098 175.480 176.600 -0.036 0.000 1.016 732 E CA -0.584 55.789 56.400 -0.045 0.000 0.830 732 E CB 1.291 30.974 29.700 -0.028 0.000 1.081 732 E HN 0.744 nan 8.360 nan 0.000 0.395 733 I N 3.640 124.205 120.570 -0.007 0.000 2.534 733 I HA 0.145 4.315 4.170 0.001 0.000 0.288 733 I C -0.907 175.251 176.117 0.069 0.000 1.077 733 I CA -0.922 60.385 61.300 0.012 0.000 1.051 733 I CB 2.072 40.065 38.000 -0.011 0.000 1.234 733 I HN 0.478 nan 8.210 nan 0.000 0.425 734 Q N 4.503 124.388 119.800 0.141 0.000 2.256 734 Q HA 0.595 4.936 4.340 0.001 0.000 0.254 734 Q C -0.989 175.078 176.000 0.111 0.000 0.916 734 Q CA 0.007 55.896 55.803 0.143 0.000 0.932 734 Q CB 1.859 30.699 28.738 0.170 0.000 1.207 734 Q HN 0.669 nan 8.270 nan 0.000 0.426 735 C N 4.569 123.925 119.300 0.092 0.000 3.199 735 C HA 0.534 4.994 4.460 0.001 0.000 0.392 735 C C -2.789 172.220 174.990 0.033 0.000 1.050 735 C CA -1.674 57.375 59.018 0.050 0.000 1.222 735 C CB 1.313 29.065 27.740 0.019 0.000 1.595 735 C HN 0.629 nan 8.230 nan 0.000 0.560 736 P HA 0.101 nan 4.420 nan 0.000 0.266 736 P C 0.508 177.692 177.300 -0.193 0.000 1.193 736 P CA 0.639 63.707 63.100 -0.052 0.000 0.770 736 P CB 0.435 32.129 31.700 -0.010 0.000 0.836 737 E N 2.470 122.431 120.200 -0.397 0.000 2.331 737 E HA -0.289 4.061 4.350 0.001 0.000 0.199 737 E C 1.518 177.910 176.600 -0.347 0.000 1.008 737 E CA 1.003 56.965 56.400 -0.730 0.000 0.843 737 E CB 0.068 29.205 29.700 -0.938 0.000 0.761 737 E HN 0.526 nan 8.360 nan 0.000 0.507 738 Q N -0.795 118.890 119.800 -0.192 0.000 2.172 738 Q HA -0.036 4.304 4.340 0.001 0.000 0.200 738 Q C 1.591 177.548 176.000 -0.071 0.000 0.964 738 Q CA 1.298 57.039 55.803 -0.104 0.000 0.855 738 Q CB 0.048 28.748 28.738 -0.063 0.000 0.918 738 Q HN 0.190 nan 8.270 nan 0.000 0.444 739 A N 0.405 123.181 122.820 -0.073 0.000 2.470 739 A HA 0.306 4.626 4.320 0.001 0.000 0.251 739 A C 1.719 179.273 177.584 -0.050 0.000 1.245 739 A CA -0.231 51.779 52.037 -0.045 0.000 0.932 739 A CB 0.431 19.412 19.000 -0.031 0.000 1.037 739 A HN 0.174 nan 8.150 nan 0.000 0.522 740 V N 0.036 119.910 119.914 -0.067 0.000 2.867 740 V HA -0.173 3.948 4.120 0.001 0.000 0.260 740 V C 2.615 178.704 176.094 -0.009 0.000 1.099 740 V CA 1.877 64.152 62.300 -0.043 0.000 1.122 740 V CB -1.023 30.821 31.823 0.034 0.000 0.708 740 V HN 0.588 nan 8.190 nan 0.000 0.490 741 G N 0.677 109.505 108.800 0.046 0.000 2.421 741 G HA2 -0.151 3.809 3.960 0.001 0.000 0.216 741 G HA3 -0.151 3.809 3.960 0.001 0.000 0.216 741 G C 1.657 176.596 174.900 0.064 0.000 1.171 741 G CA 0.803 45.971 45.100 0.113 0.000 0.775 741 G HN 0.557 nan 8.290 nan 0.000 0.543 742 G N 1.106 109.907 108.800 0.002 0.000 2.475 742 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 742 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 742 G C 1.648 176.519 174.900 -0.049 0.000 1.125 742 G CA 0.951 46.040 45.100 -0.018 0.000 0.755 742 G HN 0.313 nan 8.290 nan 0.000 0.565 743 I N 0.445 120.938 120.570 -0.129 0.000 2.069 743 I HA -0.181 3.989 4.170 0.001 0.000 0.237 743 I C 2.407 178.419 176.117 -0.176 0.000 1.053 743 I CA 1.086 62.247 61.300 -0.232 0.000 1.311 743 I CB -1.516 36.193 38.000 -0.484 0.000 1.030 743 I HN 0.237 nan 8.210 nan 0.000 0.398 744 Y N 0.421 120.756 120.300 0.058 0.000 2.680 744 Y HA -0.050 4.500 4.550 0.001 0.000 0.303 744 Y C 2.745 178.676 175.900 0.051 0.000 1.166 744 Y CA 0.842 58.976 58.100 0.056 0.000 1.344 744 Y CB -0.820 37.670 38.460 0.050 0.000 1.002 744 Y HN 0.139 nan 8.280 nan 0.000 0.537 745 S N -0.820 114.960 115.700 0.134 0.000 2.406 745 S HA -0.046 4.424 4.470 0.001 0.000 0.224 745 S C 1.800 176.449 174.600 0.081 0.000 1.030 745 S CA 1.016 59.273 58.200 0.095 0.000 0.958 745 S CB -0.260 62.974 63.200 0.057 0.000 0.811 745 S HN 0.183 nan 8.310 nan 0.000 0.489 746 V N 1.805 121.763 119.914 0.073 0.000 3.307 746 V HA 0.216 4.336 4.120 0.001 0.000 0.253 746 V C 2.099 178.289 176.094 0.160 0.000 1.149 746 V CA 0.468 62.822 62.300 0.091 0.000 1.112 746 V CB -0.388 31.456 31.823 0.035 0.000 0.777 746 V HN 0.393 nan 8.190 nan 0.000 0.464 747 L N 0.473 121.794 121.223 0.162 0.000 2.083 747 L HA -0.085 4.255 4.340 0.001 0.000 0.209 747 L C 1.781 178.735 176.870 0.141 0.000 1.083 747 L CA 1.234 56.175 54.840 0.168 0.000 0.752 747 L CB -0.442 41.714 42.059 0.161 0.000 0.899 747 L HN 0.404 nan 8.230 nan 0.000 0.433 748 N N 0.425 119.205 118.700 0.133 0.000 2.421 748 N HA -0.018 4.723 4.740 0.001 0.000 0.201 748 N C 0.640 176.206 175.510 0.094 0.000 1.198 748 N CA 0.537 53.651 53.050 0.108 0.000 0.838 748 N CB 0.306 38.853 38.487 0.100 0.000 1.011 748 N HN 0.423 nan 8.380 nan 0.000 0.463 749 K N -0.318 120.145 120.400 0.105 0.000 2.483 749 K HA 0.237 4.557 4.320 0.001 0.000 0.206 749 K C 0.357 177.024 176.600 0.112 0.000 1.086 749 K CA -0.036 56.309 56.287 0.097 0.000 1.052 749 K CB 0.995 33.549 32.500 0.089 0.000 0.904 749 K HN -0.166 nan 8.250 nan 0.000 0.557 750 K N 0.618 121.091 120.400 0.121 0.000 2.609 750 K HA 0.215 4.535 4.320 0.001 0.000 0.195 750 K C -0.446 176.209 176.600 0.092 0.000 1.144 750 K CA -0.141 56.219 56.287 0.122 0.000 1.084 750 K CB 0.963 33.561 32.500 0.162 0.000 0.877 750 K HN 0.057 nan 8.250 nan 0.000 0.540 751 R N 0.352 120.905 120.500 0.088 0.000 3.525 751 R HA -0.137 4.203 4.340 0.001 0.000 0.276 751 R C 0.360 176.707 176.300 0.079 0.000 1.116 751 R CA 0.787 56.934 56.100 0.079 0.000 0.745 751 R CB -2.084 28.258 30.300 0.071 0.000 1.185 751 R HN 0.312 nan 8.270 nan 0.000 0.454 752 G N 0.773 109.625 108.800 0.087 0.000 2.372 752 G HA2 0.289 4.249 3.960 0.001 0.000 0.283 752 G HA3 0.289 4.249 3.960 0.001 0.000 0.283 752 G C -0.446 174.513 174.900 0.099 0.000 1.177 752 G CA -0.358 44.793 45.100 0.084 0.000 0.842 752 G HN 0.192 nan 8.290 nan 0.000 0.503 753 Q N 2.225 122.089 119.800 0.106 0.000 2.341 753 Q HA 0.394 4.734 4.340 0.001 0.000 0.268 753 Q C -0.826 175.179 176.000 0.009 0.000 1.013 753 Q CA -0.665 55.194 55.803 0.093 0.000 0.798 753 Q CB 1.785 30.616 28.738 0.156 0.000 1.253 753 Q HN 0.315 nan 8.270 nan 0.000 0.457 754 V N 5.551 125.485 119.914 0.034 0.000 2.446 754 V HA -0.011 4.110 4.120 0.001 0.000 0.276 754 V C 1.181 177.224 176.094 -0.086 0.000 1.030 754 V CA 0.072 62.378 62.300 0.010 0.000 1.033 754 V CB 0.756 32.676 31.823 0.162 0.000 0.993 754 V HN 0.789 nan 8.190 nan 0.000 0.477 755 V N 3.689 123.466 119.914 -0.227 0.000 2.302 755 V HA 0.028 4.148 4.120 0.001 0.000 0.243 755 V C 0.879 176.894 176.094 -0.132 0.000 1.036 755 V CA 1.549 63.691 62.300 -0.264 0.000 1.020 755 V CB -0.036 31.489 31.823 -0.495 0.000 0.657 755 V HN 0.991 nan 8.190 nan 0.000 0.453 756 S N -0.714 114.921 115.700 -0.108 0.000 2.563 756 S HA 0.418 4.889 4.470 0.001 0.000 0.279 756 S C -1.178 173.394 174.600 -0.046 0.000 1.155 756 S CA -0.714 57.445 58.200 -0.067 0.000 0.928 756 S CB 2.077 65.232 63.200 -0.075 0.000 1.107 756 S HN 0.426 nan 8.310 nan 0.000 0.462 757 E N 2.006 122.186 120.200 -0.034 0.000 2.145 757 E HA 0.446 4.797 4.350 0.001 0.000 0.270 757 E C -0.818 175.684 176.600 -0.164 0.000 0.906 757 E CA -0.318 56.052 56.400 -0.049 0.000 0.761 757 E CB 1.126 30.858 29.700 0.053 0.000 1.116 757 E HN 0.760 nan 8.360 nan 0.000 0.408 758 E N 2.684 122.765 120.200 -0.199 0.000 2.393 758 E HA 0.294 4.644 4.350 0.001 0.000 0.265 758 E C -0.959 175.428 176.600 -0.355 0.000 0.941 758 E CA -0.892 55.361 56.400 -0.245 0.000 0.801 758 E CB 2.404 32.027 29.700 -0.130 0.000 1.313 758 E HN 0.430 nan 8.360 nan 0.000 0.435 759 Q N 0.884 120.513 119.800 -0.285 0.000 2.413 759 Q HA 0.375 4.715 4.340 0.001 0.000 0.276 759 Q C -1.160 174.830 176.000 -0.016 0.000 1.099 759 Q CA -0.820 54.878 55.803 -0.175 0.000 0.814 759 Q CB 2.192 30.814 28.738 -0.194 0.000 1.379 759 Q HN 0.349 nan 8.270 nan 0.000 0.436 760 R N 2.789 123.332 120.500 0.071 0.000 2.298 760 R HA 0.188 4.528 4.340 0.001 0.000 0.310 760 R C -1.785 174.548 176.300 0.055 0.000 1.068 760 R CA -1.410 54.724 56.100 0.057 0.000 0.957 760 R CB 0.610 30.953 30.300 0.073 0.000 1.003 760 R HN 0.487 nan 8.270 nan 0.000 0.454 761 P HA -0.216 nan 4.420 nan 0.000 0.217 761 P C 0.581 177.903 177.300 0.037 0.000 1.158 761 P CA 1.852 64.968 63.100 0.027 0.000 0.887 761 P CB 0.262 31.972 31.700 0.016 0.000 0.792 762 G N -1.994 106.829 108.800 0.038 0.000 2.760 762 G HA2 0.025 3.985 3.960 0.001 0.000 0.214 762 G HA3 0.025 3.985 3.960 0.001 0.000 0.214 762 G C 0.194 175.123 174.900 0.048 0.000 1.212 762 G CA 0.682 45.804 45.100 0.037 0.000 0.858 762 G HN 0.372 nan 8.290 nan 0.000 0.611 763 T N 0.354 114.939 114.554 0.052 0.000 2.900 763 T HA 0.373 4.723 4.350 0.001 0.000 0.307 763 T C -2.255 172.497 174.700 0.086 0.000 1.065 763 T CA -1.144 60.991 62.100 0.058 0.000 1.105 763 T CB 1.486 70.389 68.868 0.058 0.000 0.979 763 T HN -0.056 nan 8.240 nan 0.000 0.544 764 P HA 0.210 nan 4.420 nan 0.000 0.269 764 P C -0.492 176.854 177.300 0.076 0.000 1.601 764 P CA -0.260 62.877 63.100 0.062 0.000 0.831 764 P CB -0.443 31.249 31.700 -0.013 0.000 1.688 765 L N 0.262 121.576 121.223 0.151 0.000 2.315 765 L HA 0.364 4.704 4.340 0.001 0.000 0.278 765 L C -0.215 176.837 176.870 0.304 0.000 1.088 765 L CA -0.715 54.224 54.840 0.165 0.000 0.899 765 L CB -0.976 41.151 42.059 0.113 0.000 1.277 765 L HN -0.073 nan 8.230 nan 0.000 0.431 766 F N 2.213 122.180 119.950 0.029 0.000 2.480 766 F HA 0.225 4.752 4.527 0.001 0.000 0.319 766 F C 1.076 176.888 175.800 0.021 0.000 1.230 766 F CA -0.182 57.834 58.000 0.027 0.000 1.285 766 F CB 1.086 40.105 39.000 0.033 0.000 1.208 766 F HN 0.364 nan 8.300 nan 0.000 0.579 767 T N 1.848 116.481 114.554 0.131 0.000 3.160 767 T HA 0.366 4.716 4.350 0.001 0.000 0.346 767 T C -1.220 173.491 174.700 0.019 0.000 1.027 767 T CA -0.524 61.615 62.100 0.064 0.000 1.287 767 T CB -0.221 68.666 68.868 0.030 0.000 0.997 767 T HN 0.254 nan 8.240 nan 0.000 0.518 768 V N 5.612 125.545 119.914 0.032 0.000 2.498 768 V HA 0.480 4.601 4.120 0.001 0.000 0.279 768 V C 0.327 176.402 176.094 -0.033 0.000 1.048 768 V CA -0.424 61.876 62.300 0.000 0.000 0.967 768 V CB 1.159 32.955 31.823 -0.046 0.000 0.988 768 V HN 0.659 nan 8.190 nan 0.000 0.473 769 K N 3.537 123.904 120.400 -0.055 0.000 2.244 769 K HA 0.850 5.170 4.320 0.001 0.000 0.260 769 K C -0.573 175.928 176.600 -0.165 0.000 0.951 769 K CA -0.412 55.810 56.287 -0.107 0.000 0.826 769 K CB 2.226 34.650 32.500 -0.126 0.000 1.108 769 K HN 0.829 nan 8.250 nan 0.000 0.433 770 A N 2.481 125.186 122.820 -0.192 0.000 2.574 770 A HA 0.536 4.856 4.320 0.001 0.000 0.297 770 A C -1.786 175.682 177.584 -0.194 0.000 1.062 770 A CA -0.803 51.100 52.037 -0.223 0.000 0.686 770 A CB 0.639 19.600 19.000 -0.065 0.000 1.285 770 A HN 0.527 nan 8.150 nan 0.000 0.403 771 Y N 0.230 120.528 120.300 -0.004 0.000 2.304 771 Y HA 0.601 5.152 4.550 0.001 0.000 0.327 771 Y C 0.076 175.958 175.900 -0.031 0.000 1.209 771 Y CA -0.734 57.365 58.100 -0.001 0.000 1.299 771 Y CB 1.296 39.792 38.460 0.061 0.000 1.249 771 Y HN 0.575 nan 8.280 nan 0.000 0.519 772 L N 5.367 126.661 121.223 0.118 0.000 2.482 772 L HA 0.598 4.938 4.340 0.001 0.000 0.269 772 L C -2.966 173.880 176.870 -0.039 0.000 0.967 772 L CA -2.414 52.421 54.840 -0.009 0.000 0.851 772 L CB 1.860 43.808 42.059 -0.185 0.000 1.242 772 L HN 0.274 nan 8.230 nan 0.000 0.404 773 P HA 0.026 nan 4.420 nan 0.000 0.264 773 P C 0.881 178.094 177.300 -0.144 0.000 1.183 773 P CA 0.027 63.054 63.100 -0.123 0.000 0.763 773 P CB 0.740 32.420 31.700 -0.033 0.000 0.807 774 V N 3.061 122.780 119.914 -0.325 0.000 2.427 774 V HA -0.196 3.924 4.120 0.001 0.000 0.248 774 V C 1.912 177.907 176.094 -0.165 0.000 1.051 774 V CA 2.048 64.138 62.300 -0.349 0.000 1.048 774 V CB -1.137 30.298 31.823 -0.646 0.000 0.666 774 V HN 0.680 nan 8.190 nan 0.000 0.456 775 N N 0.587 119.257 118.700 -0.050 0.000 2.567 775 N HA -0.114 4.627 4.740 0.001 0.000 0.195 775 N C 0.786 176.441 175.510 0.242 0.000 1.242 775 N CA 0.685 53.839 53.050 0.174 0.000 0.884 775 N CB 0.012 38.625 38.487 0.210 0.000 1.007 775 N HN 0.637 nan 8.380 nan 0.000 0.450 776 E N -0.668 119.610 120.200 0.131 0.000 2.846 776 E HA 0.073 4.424 4.350 0.001 0.000 0.211 776 E C 0.039 176.717 176.600 0.129 0.000 0.975 776 E CA -0.071 56.428 56.400 0.164 0.000 1.211 776 E CB 0.604 30.375 29.700 0.119 0.000 1.052 776 E HN 0.421 nan 8.360 nan 0.000 0.487 777 S N -0.414 115.306 115.700 0.033 0.000 2.539 777 S HA 0.188 4.659 4.470 0.001 0.000 0.221 777 S C 0.343 174.955 174.600 0.020 0.000 0.987 777 S CA -0.545 57.657 58.200 0.003 0.000 0.929 777 S CB -0.281 62.904 63.200 -0.025 0.000 0.832 777 S HN 0.018 nan 8.310 nan 0.000 0.492 778 F N 3.437 123.466 119.950 0.132 0.000 2.518 778 F HA 0.443 4.970 4.527 0.001 0.000 0.375 778 F C 1.700 177.560 175.800 0.099 0.000 1.097 778 F CA 0.803 58.864 58.000 0.100 0.000 1.108 778 F CB -0.338 38.710 39.000 0.079 0.000 1.078 778 F HN 0.386 nan 8.300 nan 0.000 0.564 779 G N 3.252 112.187 108.800 0.224 0.000 2.160 779 G HA2 -0.393 3.568 3.960 0.001 0.000 0.244 779 G HA3 -0.393 3.568 3.960 0.001 0.000 0.244 779 G C 0.872 175.846 174.900 0.124 0.000 1.022 779 G CA 0.286 45.471 45.100 0.142 0.000 0.741 779 G HN 0.654 nan 8.290 nan 0.000 0.508 780 F N 1.451 121.401 119.950 -0.000 0.000 2.046 780 F HA -0.106 4.421 4.527 0.001 0.000 0.297 780 F C 2.562 178.339 175.800 -0.039 0.000 1.123 780 F CA 2.913 60.901 58.000 -0.021 0.000 1.199 780 F CB -0.704 38.262 39.000 -0.057 0.000 0.972 780 F HN 0.150 nan 8.300 nan 0.000 0.474 781 T N 0.292 114.718 114.554 -0.214 0.000 2.737 781 T HA -0.167 4.184 4.350 0.001 0.000 0.269 781 T C 2.133 176.687 174.700 -0.244 0.000 1.040 781 T CA 1.492 63.403 62.100 -0.317 0.000 1.142 781 T CB -1.325 67.466 68.868 -0.130 0.000 0.861 781 T HN 0.523 nan 8.240 nan 0.000 0.456 782 G N 1.237 109.960 108.800 -0.130 0.000 2.469 782 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 782 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 782 G C 1.435 176.270 174.900 -0.107 0.000 1.136 782 G CA 0.937 45.988 45.100 -0.080 0.000 0.759 782 G HN 0.561 nan 8.290 nan 0.000 0.562 783 E N -0.619 119.485 120.200 -0.160 0.000 2.190 783 E HA 0.089 4.440 4.350 0.001 0.000 0.191 783 E C 2.202 178.668 176.600 -0.223 0.000 0.978 783 E CA -0.043 56.267 56.400 -0.150 0.000 0.839 783 E CB -0.050 29.586 29.700 -0.107 0.000 0.787 783 E HN 0.328 nan 8.360 nan 0.000 0.473 784 L N 1.257 122.239 121.223 -0.402 0.000 2.362 784 L HA -0.051 4.289 4.340 0.001 0.000 0.219 784 L C 2.130 178.865 176.870 -0.226 0.000 1.134 784 L CA 1.215 55.814 54.840 -0.403 0.000 0.807 784 L CB -0.147 41.502 42.059 -0.684 0.000 0.927 784 L HN -0.112 nan 8.230 nan 0.000 0.447 785 R N 0.095 120.490 120.500 -0.176 0.000 2.055 785 R HA -0.052 4.288 4.340 0.001 0.000 0.226 785 R C 1.398 177.656 176.300 -0.069 0.000 1.135 785 R CA 1.493 57.533 56.100 -0.101 0.000 0.959 785 R CB -0.302 29.954 30.300 -0.074 0.000 0.854 785 R HN 0.421 nan 8.270 nan 0.000 0.431 786 Q N -0.682 119.080 119.800 -0.064 0.000 2.244 786 Q HA 0.383 4.724 4.340 0.001 0.000 0.239 786 Q C 0.120 176.095 176.000 -0.041 0.000 0.890 786 Q CA 0.494 56.273 55.803 -0.040 0.000 0.964 786 Q CB 1.210 29.932 28.738 -0.027 0.000 1.076 786 Q HN 0.405 nan 8.270 nan 0.000 0.447 787 A N -0.512 122.273 122.820 -0.058 0.000 2.242 787 A HA 0.085 4.405 4.320 0.001 0.000 0.205 787 A C 1.560 179.118 177.584 -0.043 0.000 1.353 787 A CA 0.652 52.659 52.037 -0.050 0.000 1.005 787 A CB 0.434 19.392 19.000 -0.070 0.000 1.127 787 A HN 0.335 nan 8.150 nan 0.000 0.498 788 T N -5.715 108.809 114.554 -0.050 0.000 3.043 788 T HA 0.453 4.803 4.350 0.001 0.000 0.272 788 T C 1.353 176.038 174.700 -0.024 0.000 0.990 788 T CA 1.052 63.129 62.100 -0.039 0.000 0.897 788 T CB 0.613 69.451 68.868 -0.051 0.000 1.111 788 T HN 1.668 nan 8.240 nan 0.000 0.529 789 G N 0.889 109.676 108.800 -0.021 0.000 2.217 789 G HA2 0.137 4.097 3.960 0.001 0.000 0.246 789 G HA3 0.137 4.097 3.960 0.001 0.000 0.246 789 G C 1.111 176.009 174.900 -0.004 0.000 0.990 789 G CA 0.341 45.436 45.100 -0.008 0.000 0.627 789 G HN 1.811 nan 8.290 nan 0.000 0.522 790 G N -0.956 107.836 108.800 -0.014 0.000 2.148 790 G HA2 -0.189 3.771 3.960 0.001 0.000 0.203 790 G HA3 -0.189 3.771 3.960 0.001 0.000 0.203 790 G C 0.708 175.606 174.900 -0.003 0.000 0.993 790 G CA 1.127 46.222 45.100 -0.009 0.000 0.661 790 G HN 0.980 nan 8.290 nan 0.000 0.518 791 Q N -0.217 119.583 119.800 -0.001 0.000 2.424 791 Q HA 0.522 4.862 4.340 0.001 0.000 0.204 791 Q C 1.468 177.469 176.000 0.001 0.000 0.933 791 Q CA 0.698 56.501 55.803 0.001 0.000 0.929 791 Q CB 0.533 29.285 28.738 0.024 0.000 1.037 791 Q HN 0.805 nan 8.270 nan 0.000 0.511 792 A N 0.955 123.777 122.820 0.002 0.000 2.331 792 A HA 0.383 4.704 4.320 0.001 0.000 0.283 792 A C -1.053 176.574 177.584 0.071 0.000 1.142 792 A CA -0.336 51.712 52.037 0.019 0.000 0.812 792 A CB 0.132 19.114 19.000 -0.030 0.000 1.074 792 A HN 0.287 nan 8.150 nan 0.000 0.497 793 F N 5.268 125.187 119.950 -0.053 0.000 2.308 793 F HA 0.543 5.071 4.527 0.001 0.000 0.370 793 F C -2.472 173.315 175.800 -0.022 0.000 1.100 793 F CA -2.733 55.239 58.000 -0.045 0.000 1.108 793 F CB 1.255 40.224 39.000 -0.050 0.000 1.293 793 F HN 0.308 nan 8.300 nan 0.000 0.478 794 P HA 0.168 nan 4.420 nan 0.000 0.271 794 P C -1.625 175.254 177.300 -0.703 0.000 1.233 794 P CA -0.130 62.714 63.100 -0.425 0.000 0.789 794 P CB 0.575 32.126 31.700 -0.249 0.000 0.951 795 Q N 1.206 120.789 119.800 -0.361 0.000 2.913 795 Q HA 0.379 4.720 4.340 0.001 0.000 0.208 795 Q C -1.941 173.945 176.000 -0.190 0.000 0.848 795 Q CA -0.315 55.305 55.803 -0.306 0.000 1.227 795 Q CB 0.173 28.756 28.738 -0.258 0.000 1.647 795 Q HN 0.510 nan 8.270 nan 0.000 0.591 796 M N 1.834 121.304 119.600 -0.216 0.000 2.433 796 M HA 0.843 5.324 4.480 0.001 0.000 0.290 796 M C -1.905 174.275 176.300 -0.200 0.000 1.173 796 M CA -0.979 54.195 55.300 -0.209 0.000 0.905 796 M CB 2.450 34.858 32.600 -0.321 0.000 1.692 796 M HN 0.236 nan 8.290 nan 0.000 0.462 797 V N 2.883 122.778 119.914 -0.031 0.000 3.040 797 V HA 0.624 4.745 4.120 0.001 0.000 0.312 797 V C -1.274 175.021 176.094 0.335 0.000 1.115 797 V CA -0.736 61.622 62.300 0.097 0.000 0.998 797 V CB 2.433 34.278 31.823 0.036 0.000 1.042 797 V HN 0.848 nan 8.190 nan 0.000 0.433 798 F N 3.866 123.976 119.950 0.267 0.000 2.602 798 F HA 0.198 4.725 4.527 0.001 0.000 0.385 798 F C 0.787 176.578 175.800 -0.015 0.000 1.063 798 F CA 1.009 59.047 58.000 0.063 0.000 1.233 798 F CB 0.861 39.808 39.000 -0.088 0.000 1.067 798 F HN 0.815 nan 8.300 nan 0.000 0.564 799 D N 3.025 122.903 120.400 -0.869 0.000 2.840 799 D HA 0.050 4.690 4.640 0.001 0.000 0.277 799 D C -0.081 175.737 176.300 -0.802 0.000 1.066 799 D CA 1.238 54.895 54.000 -0.572 0.000 0.979 799 D CB 0.256 40.950 40.800 -0.176 0.000 1.157 799 D HN 0.688 nan 8.370 nan 0.000 0.466 800 H N -3.217 115.092 119.070 -1.268 0.000 2.902 800 H HA 0.290 4.847 4.556 0.001 0.000 0.297 800 H C -1.608 173.292 175.328 -0.712 0.000 1.406 800 H CA -1.113 54.452 56.048 -0.804 0.000 1.134 800 H CB -0.501 28.990 29.762 -0.452 0.000 1.833 800 H HN 0.055 nan 8.280 nan 0.000 0.527 801 W N 0.473 121.613 121.300 -0.267 0.000 2.551 801 W HA 0.586 5.247 4.660 0.001 0.000 0.330 801 W C 0.175 176.556 176.519 -0.229 0.000 1.063 801 W CA -0.751 56.469 57.345 -0.209 0.000 1.222 801 W CB 2.020 31.482 29.460 0.003 0.000 1.349 801 W HN 0.534 nan 8.180 nan 0.000 0.536 802 S N 1.582 117.299 115.700 0.029 0.000 2.552 802 S HA 0.410 4.880 4.470 0.001 0.000 0.314 802 S C -0.438 174.237 174.600 0.125 0.000 1.099 802 S CA -0.541 57.678 58.200 0.031 0.000 1.070 802 S CB 0.465 63.621 63.200 -0.074 0.000 0.998 802 S HN 0.327 nan 8.310 nan 0.000 0.474 803 T N 6.311 120.936 114.554 0.119 0.000 2.769 803 T HA 0.240 4.591 4.350 0.001 0.000 0.293 803 T C 0.264 175.020 174.700 0.094 0.000 0.931 803 T CA -0.094 62.072 62.100 0.111 0.000 1.139 803 T CB -0.156 68.762 68.868 0.083 0.000 0.881 803 T HN 0.537 nan 8.240 nan 0.000 0.532 804 L N 3.181 124.466 121.223 0.104 0.000 2.410 804 L HA 0.228 4.569 4.340 0.001 0.000 0.273 804 L C 1.818 178.721 176.870 0.056 0.000 1.152 804 L CA -0.315 54.574 54.840 0.080 0.000 0.855 804 L CB 0.404 42.513 42.059 0.083 0.000 1.129 804 L HN 0.840 nan 8.230 nan 0.000 0.463 805 G N 1.952 110.778 108.800 0.045 0.000 2.421 805 G HA2 -0.137 3.823 3.960 0.001 0.000 0.217 805 G HA3 -0.137 3.823 3.960 0.001 0.000 0.217 805 G C 0.853 175.767 174.900 0.023 0.000 1.143 805 G CA 0.343 45.463 45.100 0.032 0.000 0.784 805 G HN 0.674 nan 8.290 nan 0.000 0.541 806 S N 0.299 116.013 115.700 0.022 0.000 2.576 806 S HA 0.199 4.669 4.470 0.001 0.000 0.272 806 S C -0.347 174.258 174.600 0.009 0.000 1.352 806 S CA -0.515 57.692 58.200 0.012 0.000 1.021 806 S CB 1.478 64.682 63.200 0.007 0.000 0.887 806 S HN 0.118 nan 8.310 nan 0.000 0.542 807 D N 1.793 122.195 120.400 0.005 0.000 2.336 807 D HA 0.271 4.911 4.640 0.001 0.000 0.249 807 D C -1.229 175.070 176.300 -0.002 0.000 1.213 807 D CA -2.358 51.646 54.000 0.007 0.000 0.870 807 D CB 1.116 41.921 40.800 0.009 0.000 1.076 807 D HN 0.246 nan 8.370 nan 0.000 0.483 808 P HA -0.070 nan 4.420 nan 0.000 0.226 808 P C 1.396 178.687 177.300 -0.016 0.000 1.153 808 P CA 0.562 63.648 63.100 -0.023 0.000 0.777 808 P CB 0.358 32.066 31.700 0.014 0.000 0.794 809 L N -0.930 120.303 121.223 0.017 0.000 2.418 809 L HA 0.103 4.443 4.340 0.001 0.000 0.218 809 L C 0.999 177.875 176.870 0.011 0.000 1.125 809 L CA 0.427 55.285 54.840 0.029 0.000 0.835 809 L CB -0.531 41.562 42.059 0.058 0.000 0.953 809 L HN -0.062 nan 8.230 nan 0.000 0.454 810 D N 0.492 120.892 120.400 -0.000 0.000 2.347 810 D HA 0.148 4.789 4.640 0.001 0.000 0.235 810 D C -1.749 174.539 176.300 -0.021 0.000 1.149 810 D CA -2.318 51.679 54.000 -0.005 0.000 0.850 810 D CB 1.716 42.516 40.800 -0.001 0.000 1.061 810 D HN -0.162 nan 8.370 nan 0.000 0.487 811 P HA -0.114 nan 4.420 nan 0.000 0.221 811 P C 1.154 178.435 177.300 -0.031 0.000 1.145 811 P CA 1.279 64.358 63.100 -0.034 0.000 0.795 811 P CB 0.111 31.796 31.700 -0.024 0.000 0.775 812 T N -4.390 110.152 114.554 -0.020 0.000 3.043 812 T HA 0.022 4.372 4.350 0.001 0.000 0.263 812 T C 1.108 175.798 174.700 -0.016 0.000 1.094 812 T CA 0.239 62.330 62.100 -0.015 0.000 1.127 812 T CB -0.854 68.009 68.868 -0.008 0.000 0.905 812 T HN 0.174 nan 8.240 nan 0.000 0.490 813 S N 0.545 116.234 115.700 -0.019 0.000 2.606 813 S HA 0.270 4.740 4.470 0.001 0.000 0.257 813 S C 1.210 175.796 174.600 -0.024 0.000 1.327 813 S CA -0.699 57.492 58.200 -0.016 0.000 0.984 813 S CB 1.077 64.268 63.200 -0.015 0.000 0.941 813 S HN 0.328 nan 8.310 nan 0.000 0.576 814 K N 0.173 120.565 120.400 -0.014 0.000 2.097 814 K HA -0.045 4.275 4.320 0.001 0.000 0.205 814 K C 2.213 178.789 176.600 -0.040 0.000 1.050 814 K CA 1.193 57.473 56.287 -0.013 0.000 0.938 814 K CB -0.724 31.782 32.500 0.010 0.000 0.718 814 K HN 0.757 nan 8.250 nan 0.000 0.442 815 A N 0.329 123.120 122.820 -0.049 0.000 1.970 815 A HA 0.033 4.353 4.320 0.001 0.000 0.216 815 A C 2.252 179.737 177.584 -0.165 0.000 1.170 815 A CA 1.375 53.351 52.037 -0.101 0.000 0.645 815 A CB -0.702 18.264 19.000 -0.057 0.000 0.816 815 A HN 0.469 nan 8.150 nan 0.000 0.447 816 G N 0.923 109.657 108.800 -0.110 0.000 2.418 816 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 816 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 816 G C 1.424 176.240 174.900 -0.140 0.000 1.158 816 G CA 1.168 46.198 45.100 -0.117 0.000 0.771 816 G HN 0.802 nan 8.290 nan 0.000 0.545 817 E N 0.259 120.391 120.200 -0.112 0.000 2.106 817 E HA -0.063 4.287 4.350 0.001 0.000 0.192 817 E C 2.356 178.866 176.600 -0.150 0.000 0.984 817 E CA 0.738 57.077 56.400 -0.101 0.000 0.806 817 E CB -0.399 29.265 29.700 -0.060 0.000 0.750 817 E HN 0.487 nan 8.360 nan 0.000 0.458 818 I N 1.393 121.834 120.570 -0.216 0.000 2.226 818 I HA -0.227 3.944 4.170 0.001 0.000 0.245 818 I C 2.420 178.239 176.117 -0.496 0.000 1.100 818 I CA 0.780 61.886 61.300 -0.323 0.000 1.374 818 I CB -0.189 37.542 38.000 -0.449 0.000 1.057 818 I HN 0.058 nan 8.210 nan 0.000 0.413 819 V N 0.758 120.315 119.914 -0.595 0.000 2.270 819 V HA -0.275 3.845 4.120 0.001 0.000 0.245 819 V C 2.419 178.333 176.094 -0.300 0.000 1.043 819 V CA 1.594 63.472 62.300 -0.704 0.000 1.014 819 V CB -0.654 30.867 31.823 -0.503 0.000 0.645 819 V HN 0.333 nan 8.190 nan 0.000 0.447 820 L N 1.182 122.294 121.223 -0.186 0.000 1.990 820 L HA -0.191 4.149 4.340 0.001 0.000 0.213 820 L C 2.483 179.315 176.870 -0.063 0.000 1.072 820 L CA 2.637 57.424 54.840 -0.088 0.000 0.755 820 L CB -1.247 40.771 42.059 -0.069 0.000 0.889 820 L HN 0.249 nan 8.230 nan 0.000 0.432 821 A N -0.686 122.087 122.820 -0.079 0.000 1.908 821 A HA -0.144 4.177 4.320 0.001 0.000 0.218 821 A C 2.426 179.993 177.584 -0.029 0.000 1.181 821 A CA 2.223 54.230 52.037 -0.049 0.000 0.627 821 A CB -1.243 17.728 19.000 -0.049 0.000 0.818 821 A HN 0.640 nan 8.150 nan 0.000 0.445 822 A N -0.530 122.276 122.820 -0.023 0.000 1.930 822 A HA -0.106 4.215 4.320 0.001 0.000 0.217 822 A C 2.246 179.943 177.584 0.189 0.000 1.175 822 A CA 1.345 53.441 52.037 0.099 0.000 0.627 822 A CB -0.394 18.771 19.000 0.274 0.000 0.815 822 A HN 0.559 nan 8.150 nan 0.000 0.443 823 R N -0.229 120.359 120.500 0.148 0.000 2.066 823 R HA -0.063 4.277 4.340 0.001 0.000 0.232 823 R C 2.161 178.530 176.300 0.115 0.000 1.131 823 R CA 1.532 57.738 56.100 0.176 0.000 0.955 823 R CB -0.281 30.084 30.300 0.109 0.000 0.851 823 R HN 0.460 nan 8.270 nan 0.000 0.432 824 K N 0.383 120.813 120.400 0.049 0.000 2.057 824 K HA -0.164 4.157 4.320 0.001 0.000 0.207 824 K C 2.187 178.791 176.600 0.006 0.000 1.049 824 K CA 1.152 57.453 56.287 0.025 0.000 0.931 824 K CB -0.130 32.372 32.500 0.003 0.000 0.714 824 K HN 0.063 nan 8.250 nan 0.000 0.440 825 R N 0.449 120.925 120.500 -0.040 0.000 2.105 825 R HA -0.164 4.177 4.340 0.001 0.000 0.239 825 R C 1.419 177.633 176.300 -0.142 0.000 1.135 825 R CA 1.715 57.739 56.100 -0.126 0.000 0.967 825 R CB -0.107 30.059 30.300 -0.223 0.000 0.861 825 R HN 0.390 nan 8.270 nan 0.000 0.442 826 H N -1.780 117.325 119.070 0.058 0.000 2.548 826 H HA 0.219 4.776 4.556 0.001 0.000 0.265 826 H C 0.645 175.997 175.328 0.040 0.000 0.969 826 H CA 0.446 56.527 56.048 0.054 0.000 1.155 826 H CB 0.875 30.680 29.762 0.071 0.000 1.394 826 H HN 0.511 nan 8.280 nan 0.000 0.570 827 G N 1.080 109.955 108.800 0.124 0.000 2.291 827 G HA2 -0.277 3.684 3.960 0.001 0.000 0.271 827 G HA3 -0.277 3.684 3.960 0.001 0.000 0.271 827 G C -0.092 174.858 174.900 0.082 0.000 1.099 827 G CA 0.274 45.422 45.100 0.080 0.000 0.919 827 G HN 0.230 nan 8.290 nan 0.000 0.496 828 M N -0.093 119.565 119.600 0.096 0.000 2.762 828 M HA 0.612 5.092 4.480 0.001 0.000 0.306 828 M C 0.549 176.884 176.300 0.059 0.000 1.223 828 M CA -1.229 54.120 55.300 0.081 0.000 0.896 828 M CB 1.057 33.720 32.600 0.105 0.000 1.684 828 M HN -0.018 nan 8.290 nan 0.000 0.491 829 K N 1.283 121.711 120.400 0.048 0.000 2.489 829 K HA -0.008 4.312 4.320 0.001 0.000 0.278 829 K C 0.213 176.835 176.600 0.037 0.000 1.000 829 K CA 0.277 56.584 56.287 0.033 0.000 1.012 829 K CB 0.381 32.895 32.500 0.024 0.000 0.903 829 K HN 0.725 nan 8.250 nan 0.000 0.485 830 E N 1.431 121.645 120.200 0.024 0.000 2.118 830 E HA -0.183 4.167 4.350 0.001 0.000 0.195 830 E C -0.420 176.190 176.600 0.018 0.000 0.992 830 E CA 1.366 57.777 56.400 0.018 0.000 0.804 830 E CB 0.178 29.882 29.700 0.007 0.000 0.741 830 E HN 0.531 nan 8.360 nan 0.000 0.458 831 E N 0.377 120.588 120.200 0.018 0.000 2.259 831 E HA 0.147 4.497 4.350 0.001 0.000 0.281 831 E C -0.880 175.743 176.600 0.038 0.000 1.027 831 E CA -0.264 56.148 56.400 0.020 0.000 0.838 831 E CB 1.668 31.374 29.700 0.009 0.000 1.066 831 E HN -0.163 nan 8.360 nan 0.000 0.401 832 V N 5.546 125.490 119.914 0.050 0.000 2.450 832 V HA 0.088 4.209 4.120 0.001 0.000 0.281 832 V C -1.896 174.251 176.094 0.090 0.000 1.019 832 V CA -1.365 60.984 62.300 0.083 0.000 1.062 832 V CB -0.129 31.752 31.823 0.095 0.000 0.979 832 V HN 0.632 nan 8.190 nan 0.000 0.477 833 P HA 0.132 nan 4.420 nan 0.000 0.262 833 P C 0.522 177.899 177.300 0.129 0.000 1.182 833 P CA 0.401 63.542 63.100 0.068 0.000 0.761 833 P CB 0.417 32.152 31.700 0.058 0.000 0.795 834 G N 2.954 111.776 108.800 0.036 0.000 2.667 834 G HA2 0.017 3.977 3.960 0.001 0.000 0.250 834 G HA3 0.017 3.977 3.960 0.001 0.000 0.250 834 G C 0.951 175.931 174.900 0.133 0.000 1.212 834 G CA -0.634 44.502 45.100 0.060 0.000 0.874 834 G HN 0.727 nan 8.290 nan 0.000 0.561 835 W N -0.285 121.127 121.300 0.187 0.000 2.374 835 W HA -0.116 4.544 4.660 0.001 0.000 0.288 835 W C 1.458 178.117 176.519 0.233 0.000 1.218 835 W CA 0.923 58.432 57.345 0.273 0.000 1.245 835 W CB -0.577 29.008 29.460 0.209 0.000 1.126 835 W HN 0.516 nan 8.180 nan 0.000 0.545 836 Q N 1.245 120.565 119.800 -0.799 0.000 2.291 836 Q HA -0.212 4.128 4.340 0.001 0.000 0.206 836 Q C 2.096 177.938 176.000 -0.262 0.000 0.976 836 Q CA 2.253 57.604 55.803 -0.754 0.000 0.875 836 Q CB -0.525 27.674 28.738 -0.898 0.000 0.927 836 Q HN 0.557 nan 8.270 nan 0.000 0.450 837 E N -0.956 119.088 120.200 -0.259 0.000 2.274 837 E HA -0.155 4.195 4.350 0.001 0.000 0.194 837 E C 0.660 177.025 176.600 -0.392 0.000 0.996 837 E CA 0.781 56.965 56.400 -0.359 0.000 0.840 837 E CB 0.161 29.557 29.700 -0.507 0.000 0.772 837 E HN 0.544 nan 8.360 nan 0.000 0.491 838 Y N -1.820 118.556 120.300 0.127 0.000 2.535 838 Y HA 0.124 4.674 4.550 0.001 0.000 0.266 838 Y C 0.430 176.432 175.900 0.169 0.000 1.088 838 Y CA -0.537 57.653 58.100 0.150 0.000 1.285 838 Y CB 0.105 38.700 38.460 0.225 0.000 1.166 838 Y HN -0.018 nan 8.280 nan 0.000 0.525 839 Y N 2.645 123.096 120.300 0.251 0.000 2.550 839 Y HA -0.014 4.536 4.550 0.001 0.000 0.343 839 Y C 0.741 176.694 175.900 0.088 0.000 1.245 839 Y CA -0.785 57.447 58.100 0.220 0.000 1.462 839 Y CB 0.280 38.945 38.460 0.343 0.000 1.340 839 Y HN 0.038 nan 8.280 nan 0.000 0.604 840 D N 3.256 123.611 120.400 -0.074 0.000 2.548 840 D HA -0.075 4.565 4.640 0.001 0.000 0.231 840 D C -0.888 175.512 176.300 0.167 0.000 1.142 840 D CA 0.297 54.297 54.000 0.000 0.000 0.866 840 D CB 0.612 41.340 40.800 -0.119 0.000 1.190 840 D HN 0.277 nan 8.370 nan 0.000 0.469 841 K N 3.102 123.543 120.400 0.069 0.000 2.220 841 K HA 0.426 4.747 4.320 0.001 0.000 0.283 841 K C -1.052 175.579 176.600 0.052 0.000 1.098 841 K CA -0.297 56.018 56.287 0.048 0.000 0.928 841 K CB -0.570 31.931 32.500 0.001 0.000 1.214 841 K HN 0.391 nan 8.250 nan 0.000 0.442 842 L N 0.000 121.268 121.223 0.076 0.000 2.949 842 L HA 0.000 4.340 4.340 0.001 0.000 0.249 842 L CA 0.000 54.878 54.840 0.063 0.000 0.813 842 L CB 0.000 42.109 42.059 0.083 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502