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 3b82_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 0.000 175.901 176.094 -0.322 0.000 1.182 2 V CA 0.000 62.192 62.300 -0.181 0.000 1.235 2 V CB 0.000 31.826 31.823 0.004 0.000 1.184 3 A N 3.612 126.183 122.820 -0.416 0.000 2.310 3 A HA 0.988 5.308 4.320 0.001 0.000 0.299 3 A C -0.988 176.218 177.584 -0.630 0.000 1.147 3 A CA -0.104 51.728 52.037 -0.342 0.000 0.818 3 A CB 0.790 19.675 19.000 -0.192 0.000 1.096 3 A HN 0.589 nan 8.150 nan 0.000 0.495 4 F N -0.404 119.501 119.950 -0.075 0.000 2.620 4 F HA 0.564 5.091 4.527 0.001 0.000 0.320 4 F C 1.006 176.769 175.800 -0.061 0.000 1.069 4 F CA -0.262 57.684 58.000 -0.090 0.000 0.953 4 F CB 2.395 41.320 39.000 -0.124 0.000 1.322 4 F HN 0.697 nan 8.300 nan 0.000 0.479 5 T N -2.045 112.607 114.554 0.163 0.000 2.881 5 T HA 0.324 4.674 4.350 0.001 0.000 0.278 5 T C 0.793 175.527 174.700 0.058 0.000 0.982 5 T CA -0.719 61.424 62.100 0.072 0.000 0.989 5 T CB 1.247 70.139 68.868 0.040 0.000 1.058 5 T HN 0.326 nan 8.240 nan 0.000 0.529 6 V N 0.957 120.887 119.914 0.027 0.000 2.867 6 V HA -0.094 4.027 4.120 0.001 0.000 0.260 6 V C 2.040 178.132 176.094 -0.003 0.000 1.099 6 V CA 1.630 63.936 62.300 0.011 0.000 1.122 6 V CB -0.915 30.910 31.823 0.003 0.000 0.708 6 V HN 0.817 nan 8.190 nan 0.000 0.490 7 D N -0.310 120.090 120.400 0.000 0.000 2.149 7 D HA -0.090 4.551 4.640 0.001 0.000 0.206 7 D C 2.323 178.607 176.300 -0.027 0.000 0.967 7 D CA 0.883 54.876 54.000 -0.012 0.000 0.848 7 D CB -0.095 40.702 40.800 -0.006 0.000 0.998 7 D HN 0.460 nan 8.370 nan 0.000 0.474 8 Q N -0.144 119.649 119.800 -0.012 0.000 2.061 8 Q HA -0.122 4.219 4.340 0.001 0.000 0.204 8 Q C 2.228 178.123 176.000 -0.175 0.000 0.984 8 Q CA 1.088 56.853 55.803 -0.064 0.000 0.846 8 Q CB -0.014 28.759 28.738 0.058 0.000 0.902 8 Q HN 0.224 nan 8.270 nan 0.000 0.421 9 M N -0.041 119.478 119.600 -0.135 0.000 2.086 9 M HA -0.156 4.324 4.480 0.001 0.000 0.261 9 M C 2.208 178.447 176.300 -0.103 0.000 1.067 9 M CA 1.426 56.639 55.300 -0.145 0.000 1.116 9 M CB -0.748 31.814 32.600 -0.063 0.000 1.348 9 M HN 0.074 nan 8.290 nan 0.000 0.407 10 R N 0.460 120.919 120.500 -0.068 0.000 2.080 10 R HA -0.112 4.228 4.340 0.001 0.000 0.236 10 R C 2.385 178.646 176.300 -0.065 0.000 1.137 10 R CA 2.405 58.471 56.100 -0.056 0.000 0.943 10 R CB -1.124 29.151 30.300 -0.040 0.000 0.846 10 R HN 0.308 nan 8.270 nan 0.000 0.431 11 S N -0.581 115.077 115.700 -0.070 0.000 2.400 11 S HA -0.116 4.354 4.470 0.001 0.000 0.232 11 S C 1.710 176.258 174.600 -0.087 0.000 1.025 11 S CA 1.285 59.442 58.200 -0.070 0.000 0.993 11 S CB -0.361 62.800 63.200 -0.066 0.000 0.808 11 S HN 0.359 nan 8.310 nan 0.000 0.478 12 L N 1.339 122.495 121.223 -0.112 0.000 2.156 12 L HA 0.233 4.573 4.340 0.001 0.000 0.208 12 L C 2.155 178.969 176.870 -0.092 0.000 1.095 12 L CA 1.613 56.382 54.840 -0.118 0.000 0.770 12 L CB -0.598 41.366 42.059 -0.159 0.000 0.914 12 L HN 0.380 nan 8.230 nan 0.000 0.439 13 M N -1.122 118.430 119.600 -0.080 0.000 2.460 13 M HA -0.147 4.334 4.480 0.001 0.000 0.263 13 M C 1.341 177.603 176.300 -0.063 0.000 1.071 13 M CA 1.008 56.268 55.300 -0.066 0.000 1.096 13 M CB -0.507 32.057 32.600 -0.060 0.000 1.408 13 M HN 0.204 nan 8.290 nan 0.000 0.463 14 D N 1.009 121.371 120.400 -0.064 0.000 2.149 14 D HA -0.047 4.593 4.640 0.001 0.000 0.201 14 D C 0.603 176.866 176.300 -0.062 0.000 0.972 14 D CA 1.127 55.092 54.000 -0.058 0.000 0.835 14 D CB -0.099 40.668 40.800 -0.054 0.000 0.966 14 D HN 0.173 nan 8.370 nan 0.000 0.476 15 K N 1.500 121.854 120.400 -0.077 0.000 2.199 15 K HA 0.035 4.355 4.320 0.001 0.000 0.226 15 K C 1.378 177.931 176.600 -0.077 0.000 1.237 15 K CA -0.135 56.098 56.287 -0.089 0.000 1.170 15 K CB 0.093 32.515 32.500 -0.131 0.000 1.418 15 K HN -0.024 nan 8.250 nan 0.000 0.255 16 V N -1.414 118.466 119.914 -0.057 0.000 2.720 16 V HA -0.238 3.882 4.120 0.001 0.000 0.256 16 V C 1.702 177.781 176.094 -0.026 0.000 1.082 16 V CA 1.988 64.262 62.300 -0.043 0.000 1.101 16 V CB -1.175 30.623 31.823 -0.042 0.000 0.693 16 V HN 0.632 nan 8.190 nan 0.000 0.479 17 T N -2.539 111.997 114.554 -0.030 0.000 3.118 17 T HA 0.049 4.399 4.350 0.001 0.000 0.260 17 T C 1.071 175.783 174.700 0.019 0.000 1.139 17 T CA 1.134 63.233 62.100 -0.002 0.000 1.085 17 T CB -0.573 68.289 68.868 -0.010 0.000 0.934 17 T HN 0.513 nan 8.240 nan 0.000 0.518 18 N N 0.570 119.241 118.700 -0.048 0.000 2.282 18 N HA 0.327 5.067 4.740 0.001 0.000 0.240 18 N C -1.023 174.531 175.510 0.072 0.000 1.182 18 N CA -0.174 52.814 53.050 -0.102 0.000 0.874 18 N CB 1.105 39.270 38.487 -0.537 0.000 1.126 18 N HN 0.265 nan 8.380 nan 0.000 0.516 19 V N 1.118 121.077 119.914 0.074 0.000 2.483 19 V HA 0.498 4.618 4.120 0.001 0.000 0.295 19 V C -0.055 176.089 176.094 0.083 0.000 1.035 19 V CA -0.779 61.561 62.300 0.067 0.000 0.896 19 V CB 1.905 33.732 31.823 0.007 0.000 0.986 19 V HN 0.041 nan 8.190 nan 0.000 0.447 20 R N 3.318 123.865 120.500 0.077 0.000 2.388 20 R HA 0.461 4.801 4.340 0.001 0.000 0.314 20 R C -1.156 175.167 176.300 0.039 0.000 0.959 20 R CA -0.612 55.521 56.100 0.055 0.000 0.851 20 R CB 1.349 31.676 30.300 0.046 0.000 1.168 20 R HN 0.609 nan 8.270 nan 0.000 0.472 21 N N 4.130 122.847 118.700 0.029 0.000 2.425 21 N HA 0.537 5.278 4.740 0.001 0.000 0.268 21 N C -0.173 175.361 175.510 0.039 0.000 0.991 21 N CA -0.543 52.526 53.050 0.031 0.000 0.931 21 N CB 1.583 40.075 38.487 0.009 0.000 1.130 21 N HN 0.385 nan 8.380 nan 0.000 0.493 22 M N -1.074 118.554 119.600 0.048 0.000 2.833 22 M HA 0.583 5.063 4.480 0.001 0.000 0.270 22 M C -0.554 175.772 176.300 0.044 0.000 1.209 22 M CA -0.896 54.428 55.300 0.041 0.000 0.826 22 M CB 1.127 33.742 32.600 0.024 0.000 1.657 22 M HN 0.143 nan 8.290 nan 0.000 0.492 23 S N -0.469 115.251 115.700 0.034 0.000 2.810 23 S HA 0.973 5.443 4.470 0.001 0.000 0.315 23 S C -1.601 173.005 174.600 0.010 0.000 1.138 23 S CA -0.651 57.565 58.200 0.026 0.000 0.889 23 S CB 1.863 65.085 63.200 0.036 0.000 1.236 23 S HN 0.803 nan 8.310 nan 0.000 0.548 24 V N 2.798 122.714 119.914 0.004 0.000 2.326 24 V HA 0.455 4.576 4.120 0.001 0.000 0.281 24 V C -0.542 175.555 176.094 0.004 0.000 1.015 24 V CA -0.431 61.867 62.300 -0.003 0.000 0.823 24 V CB 0.835 32.652 31.823 -0.009 0.000 1.009 24 V HN 0.684 nan 8.190 nan 0.000 0.436 25 I N 5.059 125.631 120.570 0.003 0.000 2.294 25 I HA 0.641 4.812 4.170 0.001 0.000 0.295 25 I C 0.481 176.615 176.117 0.028 0.000 1.098 25 I CA 0.316 61.625 61.300 0.015 0.000 1.277 25 I CB 0.489 38.492 38.000 0.005 0.000 1.434 25 I HN 0.727 nan 8.210 nan 0.000 0.498 26 A N 5.611 128.464 122.820 0.055 0.000 2.594 26 A HA 0.340 4.661 4.320 0.001 0.000 0.296 26 A C -1.029 176.639 177.584 0.141 0.000 1.056 26 A CA -0.661 51.443 52.037 0.112 0.000 0.693 26 A CB 1.184 20.236 19.000 0.087 0.000 1.278 26 A HN 0.680 nan 8.150 nan 0.000 0.408 27 H N 1.773 120.940 119.070 0.161 0.000 2.732 27 H HA 0.237 4.794 4.556 0.001 0.000 0.351 27 H C 1.635 176.924 175.328 -0.065 0.000 1.090 27 H CA 1.069 57.128 56.048 0.019 0.000 1.431 27 H CB 1.625 31.345 29.762 -0.071 0.000 1.447 27 H HN 0.887 nan 8.280 nan 0.000 0.582 28 V N 1.309 120.847 119.914 -0.627 0.000 2.828 28 V HA -0.154 3.966 4.120 0.001 0.000 0.260 28 V C 0.691 176.673 176.094 -0.188 0.000 1.101 28 V CA 1.890 63.972 62.300 -0.364 0.000 1.123 28 V CB -0.164 31.413 31.823 -0.410 0.000 0.704 28 V HN 0.605 nan 8.190 nan 0.000 0.493 29 D N -0.724 119.634 120.400 -0.069 0.000 2.388 29 D HA 0.129 4.769 4.640 0.001 0.000 0.221 29 D C 0.863 177.138 176.300 -0.042 0.000 1.133 29 D CA 0.188 54.200 54.000 0.021 0.000 0.831 29 D CB -0.147 40.710 40.800 0.095 0.000 0.962 29 D HN 0.575 nan 8.370 nan 0.000 0.502 30 H N -0.312 118.846 119.070 0.147 0.000 2.487 30 H HA 0.301 4.858 4.556 0.001 0.000 0.290 30 H C 1.308 176.660 175.328 0.039 0.000 1.081 30 H CA 0.033 56.131 56.048 0.084 0.000 1.116 30 H CB 0.491 30.301 29.762 0.081 0.000 1.560 30 H HN 0.124 nan 8.280 nan 0.000 0.548 31 G N 1.965 110.833 108.800 0.114 0.000 2.221 31 G HA2 -0.384 3.576 3.960 0.001 0.000 0.265 31 G HA3 -0.384 3.576 3.960 0.001 0.000 0.265 31 G C 1.400 176.323 174.900 0.039 0.000 1.041 31 G CA 0.883 46.020 45.100 0.060 0.000 0.807 31 G HN 0.477 nan 8.290 nan 0.000 0.502 32 K N 0.551 120.975 120.400 0.040 0.000 2.009 32 K HA -0.149 4.171 4.320 0.001 0.000 0.210 32 K C 2.875 179.472 176.600 -0.006 0.000 1.049 32 K CA 2.277 58.574 56.287 0.016 0.000 0.929 32 K CB -0.341 32.163 32.500 0.005 0.000 0.714 32 K HN 0.722 nan 8.250 nan 0.000 0.440 33 S N -0.419 115.272 115.700 -0.015 0.000 2.406 33 S HA -0.081 4.390 4.470 0.001 0.000 0.228 33 S C 1.861 176.455 174.600 -0.010 0.000 1.020 33 S CA 1.490 59.678 58.200 -0.019 0.000 0.965 33 S CB -0.502 62.681 63.200 -0.029 0.000 0.798 33 S HN 0.359 nan 8.310 nan 0.000 0.488 34 T N 2.638 117.191 114.554 -0.002 0.000 2.951 34 T HA 0.212 4.562 4.350 0.001 0.000 0.268 34 T C 1.649 176.349 174.700 -0.000 0.000 1.073 34 T CA 0.903 63.006 62.100 0.004 0.000 1.134 34 T CB -0.332 68.545 68.868 0.015 0.000 0.884 34 T HN 0.293 nan 8.240 nan 0.000 0.479 35 L N 1.304 122.521 121.223 -0.009 0.000 2.095 35 L HA -0.043 4.297 4.340 0.001 0.000 0.204 35 L C 3.148 180.009 176.870 -0.015 0.000 1.080 35 L CA 1.483 56.311 54.840 -0.021 0.000 0.759 35 L CB -1.037 41.000 42.059 -0.036 0.000 0.914 35 L HN 0.419 nan 8.230 nan 0.000 0.439 36 T N -3.667 110.880 114.554 -0.012 0.000 2.746 36 T HA -0.196 4.155 4.350 0.001 0.000 0.267 36 T C 1.423 176.123 174.700 0.000 0.000 1.039 36 T CA 1.369 63.464 62.100 -0.008 0.000 1.142 36 T CB -0.412 68.448 68.868 -0.012 0.000 0.866 36 T HN 0.175 nan 8.240 nan 0.000 0.444 37 D N 0.915 121.316 120.400 0.001 0.000 2.309 37 D HA -0.017 4.623 4.640 0.001 0.000 0.212 37 D C 2.251 178.561 176.300 0.017 0.000 0.968 37 D CA 0.863 54.868 54.000 0.009 0.000 0.882 37 D CB -0.372 40.432 40.800 0.007 0.000 0.918 37 D HN 0.481 nan 8.370 nan 0.000 0.503 38 S N -0.175 115.533 115.700 0.014 0.000 2.345 38 S HA -0.070 4.401 4.470 0.001 0.000 0.219 38 S C 1.858 176.472 174.600 0.024 0.000 1.031 38 S CA 0.434 58.647 58.200 0.021 0.000 0.984 38 S CB -0.047 63.161 63.200 0.013 0.000 0.874 38 S HN 0.048 nan 8.310 nan 0.000 0.451 39 L N 1.390 122.623 121.223 0.016 0.000 2.275 39 L HA 0.039 4.379 4.340 0.001 0.000 0.215 39 L C 2.195 179.089 176.870 0.039 0.000 1.119 39 L CA 0.755 55.608 54.840 0.022 0.000 0.790 39 L CB -0.552 41.513 42.059 0.011 0.000 0.919 39 L HN 0.198 nan 8.230 nan 0.000 0.443 40 V N -1.284 118.652 119.914 0.037 0.000 2.535 40 V HA -0.171 3.950 4.120 0.001 0.000 0.246 40 V C 1.954 178.080 176.094 0.052 0.000 1.045 40 V CA 1.113 63.441 62.300 0.047 0.000 1.058 40 V CB -0.418 31.426 31.823 0.036 0.000 0.689 40 V HN 0.473 nan 8.190 nan 0.000 0.461 41 Q N -0.537 119.289 119.800 0.044 0.000 2.329 41 Q HA 0.007 4.347 4.340 0.001 0.000 0.208 41 Q C 1.855 177.884 176.000 0.049 0.000 0.934 41 Q CA 0.298 56.128 55.803 0.045 0.000 0.951 41 Q CB 0.220 28.982 28.738 0.039 0.000 1.017 41 Q HN 0.433 nan 8.270 nan 0.000 0.490 42 R N -0.496 120.038 120.500 0.056 0.000 3.275 42 R HA 0.219 4.560 4.340 0.001 0.000 0.154 42 R C 0.850 177.201 176.300 0.085 0.000 0.843 42 R CA 1.072 57.208 56.100 0.060 0.000 1.027 42 R CB -0.484 29.844 30.300 0.048 0.000 1.423 42 R HN -0.020 nan 8.270 nan 0.000 0.530 43 A N 0.718 123.595 122.820 0.095 0.000 2.387 43 A HA 0.442 4.762 4.320 0.001 0.000 0.234 43 A C 0.705 178.391 177.584 0.170 0.000 1.253 43 A CA 0.053 52.178 52.037 0.148 0.000 0.894 43 A CB -0.476 18.596 19.000 0.121 0.000 0.963 43 A HN 0.397 nan 8.150 nan 0.000 0.508 44 G N 0.542 109.416 108.800 0.124 0.000 2.224 44 G HA2 0.356 4.317 3.960 0.001 0.000 0.239 44 G HA3 0.356 4.317 3.960 0.001 0.000 0.239 44 G C -0.173 174.815 174.900 0.146 0.000 1.240 44 G CA 0.203 45.375 45.100 0.119 0.000 0.896 44 G HN 0.151 nan 8.290 nan 0.000 0.496 45 I N 3.520 124.189 120.570 0.164 0.000 2.354 45 I HA 0.326 4.497 4.170 0.001 0.000 0.286 45 I C 0.060 176.270 176.117 0.155 0.000 1.007 45 I CA -1.081 60.339 61.300 0.201 0.000 1.167 45 I CB 0.946 39.096 38.000 0.249 0.000 1.320 45 I HN 0.206 nan 8.210 nan 0.000 0.458 46 I N 4.644 125.279 120.570 0.108 0.000 2.676 46 I HA 0.408 4.579 4.170 0.001 0.000 0.309 46 I C 1.071 177.226 176.117 0.064 0.000 0.990 46 I CA -0.220 61.125 61.300 0.076 0.000 1.168 46 I CB 1.341 39.355 38.000 0.024 0.000 1.343 46 I HN 0.618 nan 8.210 nan 0.000 0.482 47 S N 2.817 118.544 115.700 0.045 0.000 2.632 47 S HA 0.772 5.242 4.470 0.001 0.000 0.267 47 S C 0.469 175.060 174.600 -0.015 0.000 1.193 47 S CA -0.476 57.744 58.200 0.033 0.000 1.003 47 S CB 0.423 63.638 63.200 0.025 0.000 1.073 47 S HN 0.867 nan 8.310 nan 0.000 0.553 68 I N 2.759 123.403 120.570 0.124 0.000 2.433 68 I HA 0.508 4.678 4.170 0.001 0.000 0.292 68 I C 0.129 176.347 176.117 0.168 0.000 1.001 68 I CA -0.728 60.649 61.300 0.128 0.000 1.119 68 I CB 1.150 39.245 38.000 0.159 0.000 1.289 68 I HN 0.131 nan 8.210 nan 0.000 0.438 69 T N 5.017 119.627 114.554 0.094 0.000 2.797 69 T HA 0.835 5.186 4.350 0.001 0.000 0.279 69 T C -0.147 174.516 174.700 -0.063 0.000 0.991 69 T CA -0.643 61.477 62.100 0.033 0.000 0.979 69 T CB 1.842 70.709 68.868 -0.001 0.000 0.943 69 T HN 0.525 nan 8.240 nan 0.000 0.444 70 I N -0.844 119.674 120.570 -0.088 0.000 3.237 70 I HA 0.646 4.816 4.170 0.001 0.000 0.308 70 I C -0.201 175.838 176.117 -0.130 0.000 1.093 70 I CA -1.640 59.596 61.300 -0.106 0.000 1.001 70 I CB 1.797 39.782 38.000 -0.027 0.000 1.245 70 I HN 0.556 nan 8.210 nan 0.000 0.485 71 K N 1.885 122.218 120.400 -0.111 0.000 2.379 71 K HA 0.190 4.510 4.320 0.001 0.000 0.284 71 K C -0.387 176.142 176.600 -0.119 0.000 1.044 71 K CA -0.150 56.069 56.287 -0.112 0.000 0.974 71 K CB 0.748 33.195 32.500 -0.089 0.000 0.962 71 K HN 0.727 nan 8.250 nan 0.000 0.474 72 S N 3.401 119.019 115.700 -0.135 0.000 2.611 72 S HA -0.014 4.456 4.470 0.001 0.000 0.317 72 S C 0.662 175.176 174.600 -0.143 0.000 1.208 72 S CA -0.140 57.983 58.200 -0.129 0.000 1.217 72 S CB 0.420 63.546 63.200 -0.124 0.000 1.085 72 S HN 0.659 nan 8.310 nan 0.000 0.529 73 T N 1.910 116.360 114.554 -0.174 0.000 3.018 73 T HA 0.408 4.758 4.350 0.001 0.000 0.246 73 T C 0.563 175.093 174.700 -0.284 0.000 1.026 73 T CA 0.425 62.336 62.100 -0.315 0.000 1.081 73 T CB 0.331 68.863 68.868 -0.560 0.000 0.970 73 T HN 0.650 nan 8.240 nan 0.000 0.475 74 A N 1.171 123.919 122.820 -0.122 0.000 2.488 74 A HA 0.693 5.013 4.320 0.001 0.000 0.298 74 A C -1.511 176.103 177.584 0.050 0.000 1.044 74 A CA -0.676 51.369 52.037 0.013 0.000 0.693 74 A CB 1.252 20.374 19.000 0.204 0.000 1.272 74 A HN 0.162 nan 8.150 nan 0.000 0.402 75 I N 1.444 122.045 120.570 0.052 0.000 2.441 75 I HA 0.423 4.593 4.170 0.001 0.000 0.295 75 I C 0.173 176.340 176.117 0.082 0.000 0.994 75 I CA -0.358 60.979 61.300 0.060 0.000 1.144 75 I CB 1.773 39.798 38.000 0.042 0.000 1.314 75 I HN 0.560 nan 8.210 nan 0.000 0.445 76 S N 6.332 122.090 115.700 0.097 0.000 2.438 76 S HA 0.657 5.127 4.470 0.001 0.000 0.293 76 S C -0.230 174.446 174.600 0.128 0.000 1.141 76 S CA -0.476 57.788 58.200 0.107 0.000 1.080 76 S CB 0.993 64.257 63.200 0.108 0.000 0.978 76 S HN 0.247 nan 8.310 nan 0.000 0.479 77 L N 2.926 124.227 121.223 0.130 0.000 2.319 77 L HA 0.616 4.956 4.340 0.001 0.000 0.267 77 L C -0.803 176.203 176.870 0.227 0.000 1.011 77 L CA -0.721 54.214 54.840 0.157 0.000 0.818 77 L CB 0.974 43.094 42.059 0.102 0.000 1.316 77 L HN 0.697 nan 8.230 nan 0.000 0.432 78 Y N 0.672 121.037 120.300 0.108 0.000 2.331 78 Y HA 0.667 5.218 4.550 0.001 0.000 0.326 78 Y C -0.852 175.123 175.900 0.126 0.000 1.020 78 Y CA -0.421 57.750 58.100 0.119 0.000 1.136 78 Y CB 1.906 40.475 38.460 0.182 0.000 1.157 78 Y HN 0.535 nan 8.280 nan 0.000 0.444 79 S N 5.067 120.520 115.700 -0.412 0.000 2.521 79 S HA 0.468 4.938 4.470 0.001 0.000 0.295 79 S C -1.590 172.772 174.600 -0.397 0.000 1.098 79 S CA -0.644 57.349 58.200 -0.344 0.000 0.999 79 S CB 1.269 64.377 63.200 -0.153 0.000 1.034 79 S HN 0.815 nan 8.310 nan 0.000 0.483 80 E N 5.053 125.079 120.200 -0.289 0.000 2.176 80 E HA 0.439 4.789 4.350 0.001 0.000 0.267 80 E C -0.340 176.262 176.600 0.003 0.000 0.893 80 E CA -0.739 55.593 56.400 -0.112 0.000 0.761 80 E CB 0.799 30.448 29.700 -0.085 0.000 1.133 80 E HN 0.574 nan 8.360 nan 0.000 0.409 81 M N 1.222 120.886 119.600 0.106 0.000 2.544 81 M HA 0.394 4.874 4.480 0.001 0.000 0.239 81 M C 0.490 176.825 176.300 0.059 0.000 1.030 81 M CA -0.689 54.648 55.300 0.063 0.000 1.193 81 M CB 0.514 33.164 32.600 0.083 0.000 1.346 81 M HN 0.597 nan 8.290 nan 0.000 0.651 82 S N -1.195 114.529 115.700 0.041 0.000 2.677 82 S HA 0.388 4.858 4.470 0.001 0.000 0.304 82 S C -0.081 174.539 174.600 0.034 0.000 1.108 82 S CA -0.703 57.515 58.200 0.030 0.000 0.944 82 S CB 1.300 64.507 63.200 0.012 0.000 1.127 82 S HN 0.508 nan 8.310 nan 0.000 0.511 83 D N 0.745 121.159 120.400 0.023 0.000 2.265 83 D HA -0.054 4.587 4.640 0.001 0.000 0.208 83 D C 1.465 177.775 176.300 0.016 0.000 0.977 83 D CA 1.203 55.215 54.000 0.019 0.000 0.871 83 D CB 0.053 40.860 40.800 0.012 0.000 0.925 83 D HN 0.542 nan 8.370 nan 0.000 0.485 84 E N 0.278 120.484 120.200 0.011 0.000 2.140 84 E HA -0.048 4.303 4.350 0.001 0.000 0.191 84 E C 1.323 177.922 176.600 -0.001 0.000 0.973 84 E CA 0.528 56.930 56.400 0.003 0.000 0.829 84 E CB -0.126 29.573 29.700 -0.001 0.000 0.781 84 E HN 0.331 nan 8.360 nan 0.000 0.466 85 D N 0.730 121.129 120.400 -0.001 0.000 2.219 85 D HA -0.073 4.567 4.640 0.001 0.000 0.205 85 D C 1.865 178.164 176.300 -0.002 0.000 0.970 85 D CA 0.471 54.460 54.000 -0.019 0.000 0.851 85 D CB 0.174 40.955 40.800 -0.032 0.000 0.943 85 D HN 0.003 nan 8.370 nan 0.000 0.488 86 V N 0.764 120.705 119.914 0.045 0.000 3.041 86 V HA -0.067 4.054 4.120 0.001 0.000 0.260 86 V C 2.108 178.228 176.094 0.044 0.000 1.105 86 V CA 0.968 63.319 62.300 0.086 0.000 1.125 86 V CB -0.111 31.772 31.823 0.100 0.000 0.730 86 V HN 0.035 nan 8.190 nan 0.000 0.479 87 K N -0.067 120.344 120.400 0.018 0.000 2.356 87 K HA 0.096 4.416 4.320 0.001 0.000 0.195 87 K C 1.905 178.503 176.600 -0.004 0.000 1.037 87 K CA 0.398 56.690 56.287 0.008 0.000 1.014 87 K CB 0.255 32.758 32.500 0.005 0.000 0.815 87 K HN 0.546 nan 8.250 nan 0.000 0.507 88 E N 0.659 120.849 120.200 -0.017 0.000 2.046 88 E HA -0.000 4.350 4.350 0.001 0.000 0.190 88 E C 0.392 176.967 176.600 -0.042 0.000 0.982 88 E CA 0.279 56.659 56.400 -0.032 0.000 0.800 88 E CB 0.013 29.683 29.700 -0.051 0.000 0.756 88 E HN 0.179 nan 8.360 nan 0.000 0.449 89 I N 3.187 123.724 120.570 -0.055 0.000 2.769 89 I HA -0.110 4.061 4.170 0.001 0.000 0.285 89 I C 1.454 177.561 176.117 -0.016 0.000 1.173 89 I CA -0.115 61.149 61.300 -0.060 0.000 1.389 89 I CB 0.281 38.246 38.000 -0.059 0.000 1.404 89 I HN -0.041 nan 8.210 nan 0.000 0.544 90 K N 5.635 126.029 120.400 -0.010 0.000 2.218 90 K HA -0.188 4.132 4.320 0.001 0.000 0.205 90 K C 0.953 177.563 176.600 0.018 0.000 1.046 90 K CA 1.274 57.566 56.287 0.007 0.000 0.933 90 K CB -0.047 32.462 32.500 0.014 0.000 0.728 90 K HN 0.665 nan 8.250 nan 0.000 0.454 91 Q N 0.975 120.788 119.800 0.022 0.000 2.421 91 Q HA -0.021 4.320 4.340 0.001 0.000 0.255 91 Q C -0.788 175.236 176.000 0.039 0.000 1.013 91 Q CA -0.112 55.713 55.803 0.036 0.000 0.895 91 Q CB 0.606 29.372 28.738 0.045 0.000 1.271 91 Q HN 0.075 nan 8.270 nan 0.000 0.460 92 K N 2.540 122.963 120.400 0.039 0.000 2.310 92 K HA 0.136 4.456 4.320 0.001 0.000 0.290 92 K C -0.790 175.833 176.600 0.039 0.000 1.077 92 K CA 0.015 56.321 56.287 0.032 0.000 0.922 92 K CB 0.367 32.880 32.500 0.023 0.000 1.057 92 K HN 0.728 nan 8.250 nan 0.000 0.479 93 T N 0.210 114.789 114.554 0.042 0.000 2.807 93 T HA 0.399 4.749 4.350 0.001 0.000 0.277 93 T C -0.972 173.720 174.700 -0.014 0.000 1.006 93 T CA -0.874 61.250 62.100 0.039 0.000 1.006 93 T CB 1.604 70.548 68.868 0.127 0.000 1.274 93 T HN 0.502 nan 8.240 nan 0.000 0.569 94 D N -1.148 119.207 120.400 -0.075 0.000 2.354 94 D HA 0.517 5.158 4.640 0.001 0.000 0.230 94 D C 0.114 176.316 176.300 -0.164 0.000 1.361 94 D CA 1.023 54.967 54.000 -0.093 0.000 0.992 94 D CB 0.525 41.280 40.800 -0.076 0.000 1.409 94 D HN 1.236 nan 8.370 nan 0.000 0.573 95 G N 2.918 111.635 108.800 -0.138 0.000 2.466 95 G HA2 -0.158 3.802 3.960 0.001 0.000 0.316 95 G HA3 -0.158 3.802 3.960 0.001 0.000 0.316 95 G C 0.062 174.844 174.900 -0.197 0.000 1.270 95 G CA -0.255 44.750 45.100 -0.160 0.000 0.982 95 G HN 0.407 nan 8.290 nan 0.000 0.506 96 N N -0.452 118.143 118.700 -0.174 0.000 2.257 96 N HA 0.212 4.952 4.740 0.001 0.000 0.200 96 N C 0.546 175.964 175.510 -0.153 0.000 1.163 96 N CA 0.690 53.689 53.050 -0.085 0.000 0.891 96 N CB 0.797 39.292 38.487 0.013 0.000 1.067 96 N HN 0.506 nan 8.380 nan 0.000 0.497 97 S N 0.809 116.361 115.700 -0.248 0.000 2.537 97 S HA 0.458 4.928 4.470 0.001 0.000 0.275 97 S C -0.614 173.721 174.600 -0.442 0.000 1.272 97 S CA -0.218 57.885 58.200 -0.161 0.000 1.050 97 S CB 0.424 63.704 63.200 0.133 0.000 0.961 97 S HN 0.047 nan 8.310 nan 0.000 0.496 98 F N 2.172 122.028 119.950 -0.157 0.000 2.507 98 F HA 0.436 4.964 4.527 0.001 0.000 0.328 98 F C -0.251 175.528 175.800 -0.035 0.000 1.136 98 F CA -0.963 56.980 58.000 -0.096 0.000 0.930 98 F CB 1.233 40.158 39.000 -0.125 0.000 1.166 98 F HN 0.332 nan 8.300 nan 0.000 0.436 99 L N 5.262 126.569 121.223 0.140 0.000 2.326 99 L HA 0.593 4.934 4.340 0.001 0.000 0.278 99 L C -0.766 176.169 176.870 0.109 0.000 1.092 99 L CA -0.151 54.755 54.840 0.110 0.000 0.810 99 L CB 0.502 42.586 42.059 0.041 0.000 1.153 99 L HN 0.464 nan 8.230 nan 0.000 0.439 100 I N 5.285 125.914 120.570 0.098 0.000 2.439 100 I HA 0.318 4.489 4.170 0.001 0.000 0.283 100 I C -0.580 175.580 176.117 0.072 0.000 1.023 100 I CA -0.455 60.890 61.300 0.076 0.000 1.100 100 I CB 1.100 39.139 38.000 0.064 0.000 1.238 100 I HN 0.575 nan 8.210 nan 0.000 0.445 101 N N 6.683 125.422 118.700 0.064 0.000 2.420 101 N HA 0.229 4.969 4.740 0.001 0.000 0.249 101 N C -0.781 174.776 175.510 0.078 0.000 1.033 101 N CA -0.631 52.466 53.050 0.078 0.000 0.944 101 N CB 2.302 40.834 38.487 0.075 0.000 1.113 101 N HN 0.336 nan 8.380 nan 0.000 0.502 102 L N 5.106 126.375 121.223 0.075 0.000 2.352 102 L HA 0.368 4.709 4.340 0.001 0.000 0.272 102 L C -0.790 176.111 176.870 0.051 0.000 1.109 102 L CA -0.550 54.322 54.840 0.053 0.000 0.952 102 L CB -0.183 41.897 42.059 0.035 0.000 1.314 102 L HN 0.338 nan 8.230 nan 0.000 0.427 103 I N 3.678 124.291 120.570 0.070 0.000 2.505 103 I HA 0.080 4.250 4.170 0.001 0.000 0.287 103 I C 0.634 176.743 176.117 -0.012 0.000 1.104 103 I CA 0.168 61.501 61.300 0.056 0.000 1.387 103 I CB 0.100 38.182 38.000 0.138 0.000 1.404 103 I HN 0.516 nan 8.210 nan 0.000 0.528 104 D N 4.381 124.731 120.400 -0.083 0.000 2.449 104 D HA 0.078 4.719 4.640 0.001 0.000 0.236 104 D C -0.267 175.992 176.300 -0.069 0.000 1.149 104 D CA 0.447 54.395 54.000 -0.088 0.000 0.878 104 D CB 0.760 41.479 40.800 -0.135 0.000 1.198 104 D HN 0.433 nan 8.370 nan 0.000 0.446 105 S N 2.108 117.774 115.700 -0.056 0.000 2.521 105 S HA 0.616 5.087 4.470 0.001 0.000 0.295 105 S C -2.595 171.962 174.600 -0.071 0.000 1.098 105 S CA -1.464 56.713 58.200 -0.039 0.000 0.999 105 S CB 1.162 64.359 63.200 -0.006 0.000 1.034 105 S HN 0.253 nan 8.310 nan 0.000 0.483 106 P HA 0.191 nan 4.420 nan 0.000 0.269 106 P C 0.868 178.122 177.300 -0.077 0.000 1.217 106 P CA -0.121 62.869 63.100 -0.183 0.000 0.783 106 P CB 0.259 31.837 31.700 -0.204 0.000 0.898 107 G N 0.266 109.019 108.800 -0.079 0.000 2.499 107 G HA2 -0.084 3.876 3.960 0.001 0.000 0.213 107 G HA3 -0.084 3.876 3.960 0.001 0.000 0.213 107 G C -0.041 174.871 174.900 0.019 0.000 1.230 107 G CA 0.563 45.641 45.100 -0.037 0.000 0.813 107 G HN 0.554 nan 8.290 nan 0.000 0.542 108 H N -1.102 118.139 119.070 0.285 0.000 2.615 108 H HA 0.343 4.899 4.556 0.001 0.000 0.363 108 H C 1.231 176.762 175.328 0.337 0.000 1.148 108 H CA -0.353 55.865 56.048 0.283 0.000 1.401 108 H CB 1.971 31.878 29.762 0.242 0.000 1.461 108 H HN -0.070 nan 8.280 nan 0.000 0.588 109 V N 1.328 121.417 119.914 0.292 0.000 3.306 109 V HA -0.131 3.989 4.120 0.001 0.000 0.264 109 V C 1.005 177.206 176.094 0.178 0.000 1.149 109 V CA 0.998 63.437 62.300 0.232 0.000 1.143 109 V CB -0.261 31.663 31.823 0.168 0.000 0.767 109 V HN 0.768 nan 8.190 nan 0.000 0.476 110 D N 0.781 121.231 120.400 0.083 0.000 2.311 110 D HA -0.145 4.496 4.640 0.001 0.000 0.212 110 D C 1.113 177.290 176.300 -0.205 0.000 0.972 110 D CA 1.169 55.091 54.000 -0.130 0.000 0.887 110 D CB -0.250 40.373 40.800 -0.294 0.000 0.915 110 D HN 0.511 nan 8.370 nan 0.000 0.497 111 F N 0.940 120.951 119.950 0.100 0.000 2.811 111 F HA 0.114 4.642 4.527 0.001 0.000 0.292 111 F C 1.918 177.793 175.800 0.126 0.000 1.240 111 F CA -0.270 57.795 58.000 0.109 0.000 1.422 111 F CB -0.437 38.633 39.000 0.115 0.000 1.045 111 F HN -0.226 nan 8.300 nan 0.000 0.512 112 S N 0.126 115.945 115.700 0.197 0.000 2.389 112 S HA -0.320 4.151 4.470 0.001 0.000 0.231 112 S C 2.429 177.173 174.600 0.239 0.000 1.052 112 S CA 2.009 60.339 58.200 0.215 0.000 1.053 112 S CB -0.531 62.710 63.200 0.069 0.000 0.886 112 S HN 0.672 nan 8.310 nan 0.000 0.456 113 S N 2.766 118.577 115.700 0.186 0.000 2.351 113 S HA -0.240 4.230 4.470 0.001 0.000 0.220 113 S C 1.866 176.654 174.600 0.312 0.000 1.035 113 S CA 1.440 59.736 58.200 0.159 0.000 1.031 113 S CB -0.803 62.457 63.200 0.099 0.000 0.928 113 S HN 0.843 nan 8.310 nan 0.000 0.433 114 E N 1.018 121.477 120.200 0.432 0.000 2.347 114 E HA -0.002 4.348 4.350 0.001 0.000 0.196 114 E C 1.808 178.565 176.600 0.262 0.000 1.008 114 E CA 0.836 57.478 56.400 0.402 0.000 0.852 114 E CB -0.434 29.438 29.700 0.287 0.000 0.783 114 E HN 0.453 nan 8.360 nan 0.000 0.505 115 V N 1.648 121.711 119.914 0.248 0.000 2.453 115 V HA -0.188 3.933 4.120 0.001 0.000 0.247 115 V C 2.145 178.336 176.094 0.162 0.000 1.048 115 V CA 2.105 64.517 62.300 0.187 0.000 1.049 115 V CB -0.503 31.440 31.823 0.200 0.000 0.672 115 V HN 0.399 nan 8.190 nan 0.000 0.457 116 T N 0.189 114.853 114.554 0.183 0.000 3.035 116 T HA 0.008 4.358 4.350 0.001 0.000 0.268 116 T C 1.940 176.737 174.700 0.162 0.000 1.109 116 T CA 1.108 63.291 62.100 0.139 0.000 1.119 116 T CB -0.159 68.793 68.868 0.141 0.000 0.900 116 T HN 0.547 nan 8.240 nan 0.000 0.503 117 A N 1.776 124.733 122.820 0.228 0.000 1.840 117 A HA 0.345 4.666 4.320 0.001 0.000 0.214 117 A C 2.594 180.323 177.584 0.243 0.000 1.198 117 A CA 1.278 53.485 52.037 0.285 0.000 0.608 117 A CB -1.133 18.079 19.000 0.353 0.000 0.839 117 A HN 0.470 nan 8.150 nan 0.000 0.443 118 A N -1.319 121.618 122.820 0.194 0.000 2.225 118 A HA 0.127 4.447 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 1.490 53.626 52.037 0.165 0.000 0.710 118 A CB -0.402 18.658 19.000 0.101 0.000 0.780 118 A HN 0.511 nan 8.150 nan 0.000 0.473 119 L N -0.942 120.352 121.223 0.118 0.000 2.200 119 L HA 0.207 4.548 4.340 0.001 0.000 0.200 119 L C 2.232 179.145 176.870 0.073 0.000 1.072 119 L CA 1.556 56.444 54.840 0.079 0.000 0.787 119 L CB -0.376 41.714 42.059 0.051 0.000 0.957 119 L HN 0.391 nan 8.230 nan 0.000 0.459 120 R N -0.656 119.886 120.500 0.071 0.000 2.328 120 R HA -0.069 4.271 4.340 0.001 0.000 0.207 120 R C 1.494 177.823 176.300 0.048 0.000 1.056 120 R CA 1.355 57.464 56.100 0.014 0.000 1.016 120 R CB -0.058 30.217 30.300 -0.041 0.000 0.872 120 R HN 0.458 nan 8.270 nan 0.000 0.471 121 V N -3.234 116.761 119.914 0.135 0.000 3.621 121 V HA 0.202 4.323 4.120 0.001 0.000 0.263 121 V C 0.792 176.970 176.094 0.139 0.000 1.272 121 V CA 0.330 62.755 62.300 0.208 0.000 1.080 121 V CB 0.158 32.127 31.823 0.244 0.000 0.816 121 V HN 0.267 nan 8.190 nan 0.000 0.451 122 T N -0.059 114.562 114.554 0.111 0.000 2.910 122 T HA 0.611 4.961 4.350 0.001 0.000 0.279 122 T C 0.063 174.801 174.700 0.064 0.000 0.989 122 T CA 0.356 62.502 62.100 0.076 0.000 0.968 122 T CB 1.673 70.586 68.868 0.075 0.000 1.135 122 T HN 0.482 nan 8.240 nan 0.000 0.562 123 D N -2.339 118.092 120.400 0.051 0.000 2.562 123 D HA 0.376 5.016 4.640 0.001 0.000 0.246 123 D C 0.466 176.803 176.300 0.062 0.000 1.347 123 D CA -0.416 53.619 54.000 0.058 0.000 0.800 123 D CB 0.124 40.947 40.800 0.038 0.000 1.111 123 D HN 0.901 nan 8.370 nan 0.000 0.508 124 G N -0.719 108.109 108.800 0.046 0.000 2.690 124 G HA2 0.763 4.723 3.960 0.001 0.000 0.291 124 G HA3 0.763 4.723 3.960 0.001 0.000 0.291 124 G C -1.705 173.208 174.900 0.021 0.000 1.403 124 G CA -0.675 44.445 45.100 0.032 0.000 0.864 124 G HN 0.484 nan 8.290 nan 0.000 0.480 125 A N -0.346 122.476 122.820 0.003 0.000 2.566 125 A HA 0.641 4.961 4.320 0.001 0.000 0.297 125 A C -1.874 175.693 177.584 -0.028 0.000 1.059 125 A CA -0.544 51.490 52.037 -0.006 0.000 0.691 125 A CB 1.861 20.859 19.000 -0.004 0.000 1.282 125 A HN 1.425 nan 8.150 nan 0.000 0.401 126 L N 2.927 124.132 121.223 -0.029 0.000 2.297 126 L HA 0.497 4.837 4.340 0.001 0.000 0.277 126 L C -0.619 176.220 176.870 -0.052 0.000 1.040 126 L CA -0.206 54.604 54.840 -0.050 0.000 0.867 126 L CB 1.065 43.097 42.059 -0.045 0.000 1.244 126 L HN 0.444 nan 8.230 nan 0.000 0.433 127 V N 6.110 125.982 119.914 -0.071 0.000 2.341 127 V HA 0.078 4.199 4.120 0.001 0.000 0.248 127 V C 0.322 176.365 176.094 -0.085 0.000 1.107 127 V CA -0.306 61.954 62.300 -0.067 0.000 1.069 127 V CB 0.419 32.194 31.823 -0.081 0.000 1.177 127 V HN 0.408 nan 8.190 nan 0.000 0.492 128 V N 6.760 126.640 119.914 -0.055 0.000 2.372 128 V HA 0.214 4.334 4.120 0.001 0.000 0.261 128 V C 0.321 176.360 176.094 -0.092 0.000 1.055 128 V CA -0.033 62.230 62.300 -0.061 0.000 0.930 128 V CB 0.983 32.798 31.823 -0.012 0.000 1.031 128 V HN 0.581 nan 8.190 nan 0.000 0.479 129 V N 3.565 123.386 119.914 -0.156 0.000 2.850 129 V HA 0.468 4.589 4.120 0.001 0.000 0.315 129 V C -0.043 175.889 176.094 -0.270 0.000 1.064 129 V CA -0.797 61.336 62.300 -0.279 0.000 0.979 129 V CB 2.216 33.934 31.823 -0.176 0.000 1.039 129 V HN 0.785 nan 8.190 nan 0.000 0.452 130 D N 0.556 120.701 120.400 -0.425 0.000 2.294 130 D HA 0.326 4.967 4.640 0.001 0.000 0.250 130 D C 0.935 177.246 176.300 0.019 0.000 1.058 130 D CA -0.054 53.871 54.000 -0.125 0.000 0.950 130 D CB 2.026 42.819 40.800 -0.011 0.000 1.158 130 D HN 0.566 nan 8.370 nan 0.000 0.453 131 T N 1.432 116.056 114.554 0.117 0.000 2.852 131 T HA -0.007 4.344 4.350 0.001 0.000 0.256 131 T C 1.778 176.509 174.700 0.051 0.000 1.038 131 T CA 0.617 62.815 62.100 0.163 0.000 1.141 131 T CB -0.057 68.964 68.868 0.254 0.000 0.869 131 T HN 0.308 nan 8.240 nan 0.000 0.439 132 I N 1.321 121.927 120.570 0.060 0.000 2.206 132 I HA 0.001 4.172 4.170 0.001 0.000 0.239 132 I C 2.387 178.523 176.117 0.030 0.000 1.078 132 I CA 1.360 62.681 61.300 0.036 0.000 1.367 132 I CB -0.430 37.603 38.000 0.055 0.000 1.078 132 I HN 0.193 nan 8.210 nan 0.000 0.413 133 E N 0.552 120.785 120.200 0.055 0.000 2.347 133 E HA 0.099 4.449 4.350 0.001 0.000 0.196 133 E C 1.375 177.986 176.600 0.019 0.000 1.008 133 E CA 0.566 56.998 56.400 0.053 0.000 0.852 133 E CB -0.184 29.586 29.700 0.117 0.000 0.783 133 E HN 0.521 nan 8.360 nan 0.000 0.505 134 G N 0.819 109.614 108.800 -0.008 0.000 2.569 134 G HA2 -0.331 3.629 3.960 0.001 0.000 0.259 134 G HA3 -0.331 3.629 3.960 0.001 0.000 0.259 134 G C 0.017 174.863 174.900 -0.090 0.000 1.263 134 G CA -0.231 44.848 45.100 -0.035 0.000 0.928 134 G HN 0.136 nan 8.290 nan 0.000 0.572 135 V N 1.774 121.652 119.914 -0.060 0.000 2.421 135 V HA 0.348 4.469 4.120 0.001 0.000 0.271 135 V C 1.707 177.794 176.094 -0.012 0.000 1.031 135 V CA -0.109 62.155 62.300 -0.060 0.000 1.032 135 V CB -0.746 31.058 31.823 -0.031 0.000 1.009 135 V HN 1.308 nan 8.190 nan 0.000 0.477 136 C N 4.704 124.019 119.300 0.024 0.000 2.553 136 C HA 0.456 4.916 4.460 0.001 0.000 0.345 136 C C 1.891 176.907 174.990 0.043 0.000 1.369 136 C CA -0.465 58.590 59.018 0.061 0.000 2.447 136 C CB 0.359 28.180 27.740 0.134 0.000 2.358 136 C HN 0.594 nan 8.230 nan 0.000 0.676 137 V N 1.192 121.122 119.914 0.027 0.000 2.407 137 V HA -0.202 3.918 4.120 0.001 0.000 0.248 137 V C 2.718 178.842 176.094 0.050 0.000 1.055 137 V CA 2.471 64.789 62.300 0.031 0.000 1.049 137 V CB -1.341 30.494 31.823 0.021 0.000 0.662 137 V HN 1.027 nan 8.190 nan 0.000 0.455 138 Q N 0.203 120.047 119.800 0.074 0.000 1.994 138 Q HA -0.183 4.158 4.340 0.001 0.000 0.198 138 Q C 2.239 178.307 176.000 0.114 0.000 0.976 138 Q CA 2.325 58.198 55.803 0.117 0.000 0.828 138 Q CB -0.352 28.510 28.738 0.206 0.000 0.894 138 Q HN 0.555 nan 8.270 nan 0.000 0.432 139 T N 0.993 115.630 114.554 0.138 0.000 2.849 139 T HA -0.202 4.148 4.350 0.001 0.000 0.270 139 T C 1.494 176.223 174.700 0.049 0.000 1.066 139 T CA 1.555 63.721 62.100 0.108 0.000 1.130 139 T CB -0.200 68.741 68.868 0.122 0.000 0.864 139 T HN 0.481 nan 8.240 nan 0.000 0.481 140 E N 0.439 120.662 120.200 0.039 0.000 2.107 140 E HA -0.120 4.230 4.350 0.001 0.000 0.191 140 E C 2.069 178.664 176.600 -0.008 0.000 0.982 140 E CA 1.148 57.557 56.400 0.016 0.000 0.809 140 E CB -0.054 29.660 29.700 0.024 0.000 0.756 140 E HN 0.360 nan 8.360 nan 0.000 0.459 141 T N 0.723 115.281 114.554 0.007 0.000 2.652 141 T HA -0.145 4.205 4.350 0.001 0.000 0.267 141 T C 1.935 176.618 174.700 -0.027 0.000 1.039 141 T CA 1.564 63.659 62.100 -0.008 0.000 1.153 141 T CB -0.290 68.607 68.868 0.047 0.000 0.863 141 T HN 0.046 nan 8.240 nan 0.000 0.428 142 V N 1.533 121.455 119.914 0.013 0.000 2.453 142 V HA -0.141 3.980 4.120 0.001 0.000 0.252 142 V C 2.403 178.471 176.094 -0.044 0.000 1.068 142 V CA 1.225 63.527 62.300 0.003 0.000 1.070 142 V CB -0.759 31.088 31.823 0.039 0.000 0.664 142 V HN 0.295 nan 8.190 nan 0.000 0.461 143 L N 0.129 121.327 121.223 -0.042 0.000 2.046 143 L HA -0.124 4.216 4.340 0.001 0.000 0.208 143 L C 2.597 179.412 176.870 -0.091 0.000 1.077 143 L CA 1.858 56.669 54.840 -0.048 0.000 0.747 143 L CB -0.687 41.357 42.059 -0.024 0.000 0.896 143 L HN 0.184 nan 8.230 nan 0.000 0.432 144 R N -1.236 119.161 120.500 -0.170 0.000 2.105 144 R HA -0.185 4.155 4.340 0.001 0.000 0.239 144 R C 2.221 178.365 176.300 -0.261 0.000 1.135 144 R CA 1.331 57.248 56.100 -0.304 0.000 0.967 144 R CB -0.263 29.732 30.300 -0.509 0.000 0.861 144 R HN 0.480 nan 8.270 nan 0.000 0.442 145 Q N -0.055 119.587 119.800 -0.263 0.000 2.049 145 Q HA -0.028 4.312 4.340 0.001 0.000 0.198 145 Q C 2.210 178.114 176.000 -0.161 0.000 0.971 145 Q CA 1.627 57.250 55.803 -0.300 0.000 0.833 145 Q CB -0.349 28.189 28.738 -0.334 0.000 0.896 145 Q HN 0.322 nan 8.270 nan 0.000 0.434 146 A N 0.854 123.616 122.820 -0.097 0.000 1.986 146 A HA -0.173 4.147 4.320 0.001 0.000 0.220 146 A C 2.245 179.810 177.584 -0.031 0.000 1.171 146 A CA 1.260 53.270 52.037 -0.044 0.000 0.640 146 A CB -0.735 18.250 19.000 -0.025 0.000 0.811 146 A HN 0.329 nan 8.150 nan 0.000 0.451 147 L N -0.971 120.227 121.223 -0.042 0.000 2.093 147 L HA -0.070 4.270 4.340 0.001 0.000 0.208 147 L C 2.720 179.582 176.870 -0.014 0.000 1.085 147 L CA 1.004 55.837 54.840 -0.012 0.000 0.755 147 L CB -0.646 41.425 42.059 0.020 0.000 0.904 147 L HN 0.464 nan 8.230 nan 0.000 0.435 148 G N -1.056 107.710 108.800 -0.056 0.000 2.559 148 G HA2 -0.145 3.815 3.960 0.001 0.000 0.216 148 G HA3 -0.145 3.815 3.960 0.001 0.000 0.216 148 G C 1.326 176.207 174.900 -0.031 0.000 1.126 148 G CA 0.271 45.339 45.100 -0.054 0.000 0.778 148 G HN 0.250 nan 8.290 nan 0.000 0.543 149 E N 0.059 120.247 120.200 -0.021 0.000 2.501 149 E HA 0.117 4.467 4.350 0.001 0.000 0.201 149 E C 0.236 176.874 176.600 0.064 0.000 1.016 149 E CA -0.408 55.996 56.400 0.007 0.000 0.920 149 E CB 0.335 30.032 29.700 -0.006 0.000 1.023 149 E HN 0.368 nan 8.360 nan 0.000 0.474 150 R N 0.533 121.079 120.500 0.077 0.000 3.084 150 R HA -0.149 4.191 4.340 0.001 0.000 0.258 150 R C -0.504 175.909 176.300 0.188 0.000 0.914 150 R CA 0.456 56.646 56.100 0.150 0.000 0.646 150 R CB -1.951 28.538 30.300 0.315 0.000 1.330 150 R HN 0.147 nan 8.270 nan 0.000 0.465 151 I N 0.888 121.516 120.570 0.098 0.000 2.498 151 I HA 0.194 4.365 4.170 0.001 0.000 0.290 151 I C 0.203 176.350 176.117 0.050 0.000 1.032 151 I CA -1.276 60.076 61.300 0.087 0.000 1.073 151 I CB 2.020 40.052 38.000 0.053 0.000 1.251 151 I HN 0.013 nan 8.210 nan 0.000 0.426 152 K N 8.305 128.739 120.400 0.057 0.000 2.402 152 K HA 0.235 4.555 4.320 0.001 0.000 0.285 152 K C -2.526 174.066 176.600 -0.013 0.000 1.054 152 K CA -0.999 55.299 56.287 0.019 0.000 1.001 152 K CB 0.394 32.916 32.500 0.037 0.000 0.946 152 K HN 0.101 nan 8.250 nan 0.000 0.473 153 P HA 0.181 nan 4.420 nan 0.000 0.284 153 P C -1.226 176.008 177.300 -0.109 0.000 1.253 153 P CA -0.624 62.435 63.100 -0.069 0.000 0.800 153 P CB 1.315 32.968 31.700 -0.078 0.000 0.961 154 V N 3.661 123.506 119.914 -0.115 0.000 2.525 154 V HA 0.232 4.352 4.120 0.001 0.000 0.299 154 V C -0.069 175.919 176.094 -0.177 0.000 1.034 154 V CA -0.767 61.437 62.300 -0.160 0.000 0.863 154 V CB 2.280 34.026 31.823 -0.128 0.000 0.999 154 V HN 0.224 nan 8.190 nan 0.000 0.423 155 V N 5.699 125.473 119.914 -0.234 0.000 2.432 155 V HA 0.458 4.579 4.120 0.001 0.000 0.275 155 V C -0.175 175.732 176.094 -0.312 0.000 1.043 155 V CA -0.239 61.914 62.300 -0.246 0.000 0.925 155 V CB 1.789 33.457 31.823 -0.259 0.000 0.985 155 V HN 0.622 nan 8.190 nan 0.000 0.466 156 V N 6.865 126.620 119.914 -0.265 0.000 2.419 156 V HA 0.406 4.526 4.120 0.001 0.000 0.287 156 V C -0.109 175.839 176.094 -0.242 0.000 1.017 156 V CA -0.375 61.742 62.300 -0.306 0.000 0.844 156 V CB 1.663 33.349 31.823 -0.230 0.000 1.011 156 V HN 0.685 nan 8.190 nan 0.000 0.429 157 I N 4.443 124.847 120.570 -0.276 0.000 2.329 157 I HA 0.204 4.374 4.170 0.001 0.000 0.295 157 I C 0.528 176.603 176.117 -0.071 0.000 1.109 157 I CA 0.210 61.458 61.300 -0.086 0.000 1.297 157 I CB 0.216 38.281 38.000 0.108 0.000 1.433 157 I HN 0.571 nan 8.210 nan 0.000 0.509 158 N N 5.398 124.066 118.700 -0.054 0.000 2.458 158 N HA 0.232 4.973 4.740 0.001 0.000 0.271 158 N C -0.249 175.277 175.510 0.027 0.000 1.210 158 N CA -0.352 52.665 53.050 -0.054 0.000 0.978 158 N CB 0.663 39.130 38.487 -0.033 0.000 1.206 158 N HN 0.358 nan 8.380 nan 0.000 0.536 159 K N -0.422 119.986 120.400 0.013 0.000 3.162 159 K HA -0.125 4.196 4.320 0.001 0.000 0.268 159 K C 0.272 176.956 176.600 0.140 0.000 1.062 159 K CA 0.218 56.557 56.287 0.088 0.000 0.769 159 K CB -2.002 30.573 32.500 0.125 0.000 1.274 159 K HN 0.254 nan 8.250 nan 0.000 0.478 160 V N 0.038 120.029 119.914 0.130 0.000 2.871 160 V HA -0.213 3.907 4.120 0.001 0.000 0.256 160 V C 2.169 178.444 176.094 0.301 0.000 1.082 160 V CA 2.185 64.663 62.300 0.296 0.000 1.105 160 V CB -0.378 31.683 31.823 0.397 0.000 0.713 160 V HN 0.626 nan 8.190 nan 0.000 0.473 161 D N 0.700 121.266 120.400 0.278 0.000 2.219 161 D HA -0.256 4.384 4.640 0.001 0.000 0.205 161 D C 2.127 178.550 176.300 0.205 0.000 0.970 161 D CA 1.030 55.182 54.000 0.254 0.000 0.851 161 D CB -0.415 40.469 40.800 0.139 0.000 0.943 161 D HN 0.336 nan 8.370 nan 0.000 0.488 162 R N 0.008 120.621 120.500 0.189 0.000 2.237 162 R HA 0.041 4.382 4.340 0.001 0.000 0.219 162 R C 1.744 178.117 176.300 0.122 0.000 1.080 162 R CA 1.067 57.259 56.100 0.153 0.000 0.995 162 R CB -0.120 30.263 30.300 0.140 0.000 0.875 162 R HN 0.323 nan 8.270 nan 0.000 0.462 163 A N -0.043 122.851 122.820 0.124 0.000 2.095 163 A HA 0.124 4.445 4.320 0.001 0.000 0.212 163 A C 1.814 179.439 177.584 0.068 0.000 1.162 163 A CA 0.172 52.264 52.037 0.091 0.000 0.753 163 A CB 0.125 19.180 19.000 0.091 0.000 0.840 163 A HN 0.260 nan 8.150 nan 0.000 0.468 164 L N -1.354 119.896 121.223 0.045 0.000 2.200 164 L HA 0.049 4.389 4.340 0.001 0.000 0.200 164 L C 2.116 179.010 176.870 0.039 0.000 1.072 164 L CA 0.352 55.163 54.840 -0.048 0.000 0.787 164 L CB -0.503 41.408 42.059 -0.246 0.000 0.957 164 L HN 0.224 nan 8.230 nan 0.000 0.459 165 L N -0.230 121.058 121.223 0.108 0.000 2.109 165 L HA -0.078 4.262 4.340 0.001 0.000 0.207 165 L C 2.325 179.250 176.870 0.092 0.000 1.086 165 L CA 1.632 56.544 54.840 0.120 0.000 0.760 165 L CB -0.551 41.607 42.059 0.165 0.000 0.910 165 L HN 0.215 nan 8.230 nan 0.000 0.437 166 E N -0.885 119.369 120.200 0.090 0.000 2.045 166 E HA -0.029 4.321 4.350 0.001 0.000 0.195 166 E C 1.988 178.626 176.600 0.064 0.000 0.953 166 E CA 0.269 56.714 56.400 0.075 0.000 0.859 166 E CB -0.317 29.429 29.700 0.077 0.000 0.854 166 E HN 0.093 nan 8.360 nan 0.000 0.471 167 L N 1.233 122.493 121.223 0.062 0.000 2.261 167 L HA -0.154 4.187 4.340 0.001 0.000 0.216 167 L C 0.711 177.616 176.870 0.059 0.000 1.114 167 L CA 1.337 56.209 54.840 0.054 0.000 0.777 167 L CB -0.729 41.359 42.059 0.048 0.000 0.910 167 L HN 0.238 nan 8.230 nan 0.000 0.440 168 Q N -1.289 118.551 119.800 0.065 0.000 2.481 168 Q HA -0.215 4.126 4.340 0.001 0.000 0.272 168 Q C 0.180 176.245 176.000 0.107 0.000 1.157 168 Q CA 0.414 56.263 55.803 0.076 0.000 0.935 168 Q CB -1.978 26.802 28.738 0.069 0.000 1.338 168 Q HN 0.309 nan 8.270 nan 0.000 0.494 169 V N 1.196 121.176 119.914 0.110 0.000 2.788 169 V HA 0.106 4.226 4.120 0.001 0.000 0.307 169 V C 1.070 177.302 176.094 0.229 0.000 1.069 169 V CA 0.883 63.259 62.300 0.126 0.000 1.173 169 V CB 1.321 33.200 31.823 0.093 0.000 0.925 169 V HN 0.522 nan 8.190 nan 0.000 0.492 170 S N 5.788 121.570 115.700 0.137 0.000 2.625 170 S HA 0.299 4.770 4.470 0.001 0.000 0.262 170 S C 0.919 175.509 174.600 -0.016 0.000 1.223 170 S CA -0.020 58.217 58.200 0.062 0.000 0.993 170 S CB 0.523 63.711 63.200 -0.019 0.000 1.051 170 S HN 0.746 nan 8.310 nan 0.000 0.562 171 K N 0.116 120.350 120.400 -0.275 0.000 2.076 171 K HA -0.004 4.316 4.320 0.001 0.000 0.204 171 K C 2.232 178.809 176.600 -0.039 0.000 1.051 171 K CA 1.163 57.280 56.287 -0.283 0.000 0.949 171 K CB -0.248 31.967 32.500 -0.476 0.000 0.726 171 K HN 0.688 nan 8.250 nan 0.000 0.443 172 E N 1.600 121.769 120.200 -0.052 0.000 2.107 172 E HA -0.159 4.191 4.350 0.001 0.000 0.191 172 E C 1.135 177.771 176.600 0.060 0.000 0.982 172 E CA 1.514 57.918 56.400 0.007 0.000 0.809 172 E CB -0.001 29.681 29.700 -0.030 0.000 0.756 172 E HN 0.138 nan 8.360 nan 0.000 0.459 173 D N -0.217 120.197 120.400 0.024 0.000 2.224 173 D HA -0.097 4.543 4.640 0.001 0.000 0.205 173 D C 1.704 177.994 176.300 -0.017 0.000 0.965 173 D CA 0.511 54.517 54.000 0.011 0.000 0.852 173 D CB -0.113 40.692 40.800 0.008 0.000 0.947 173 D HN 0.222 nan 8.370 nan 0.000 0.494 174 L N -0.276 120.956 121.223 0.016 0.000 2.240 174 L HA -0.031 4.309 4.340 0.001 0.000 0.211 174 L C 1.974 178.744 176.870 -0.167 0.000 1.106 174 L CA 1.103 55.898 54.840 -0.075 0.000 0.793 174 L CB -0.588 41.551 42.059 0.133 0.000 0.927 174 L HN -0.008 nan 8.230 nan 0.000 0.446 175 Y N -0.209 120.051 120.300 -0.066 0.000 2.200 175 Y HA -0.173 4.378 4.550 0.001 0.000 0.290 175 Y C 2.229 178.042 175.900 -0.146 0.000 1.137 175 Y CA 1.532 59.592 58.100 -0.066 0.000 1.163 175 Y CB -0.033 38.377 38.460 -0.085 0.000 0.988 175 Y HN 0.244 nan 8.280 nan 0.000 0.518 176 Q N -0.255 119.484 119.800 -0.101 0.000 2.500 176 Q HA -0.077 4.263 4.340 0.001 0.000 0.213 176 Q C 1.789 177.670 176.000 -0.198 0.000 0.974 176 Q CA 1.377 57.086 55.803 -0.156 0.000 0.918 176 Q CB -0.254 28.471 28.738 -0.022 0.000 0.980 176 Q HN 0.522 nan 8.270 nan 0.000 0.505 177 T N 0.116 114.492 114.554 -0.297 0.000 2.852 177 T HA -0.000 4.350 4.350 0.001 0.000 0.256 177 T C 1.311 175.846 174.700 -0.275 0.000 1.038 177 T CA 0.642 62.537 62.100 -0.341 0.000 1.141 177 T CB -0.154 68.394 68.868 -0.533 0.000 0.869 177 T HN 0.170 nan 8.240 nan 0.000 0.439 178 F N 1.869 121.798 119.950 -0.034 0.000 2.325 178 F HA 0.265 4.792 4.527 0.001 0.000 0.299 178 F C 2.574 178.421 175.800 0.078 0.000 1.090 178 F CA 0.056 58.090 58.000 0.057 0.000 1.392 178 F CB -1.077 37.981 39.000 0.096 0.000 1.053 178 F HN 0.127 nan 8.300 nan 0.000 0.521 179 A N 0.350 123.204 122.820 0.056 0.000 1.969 179 A HA -0.135 4.186 4.320 0.001 0.000 0.218 179 A C 2.310 179.926 177.584 0.054 0.000 1.169 179 A CA 1.322 53.384 52.037 0.042 0.000 0.635 179 A CB -0.493 18.321 19.000 -0.311 0.000 0.810 179 A HN 0.331 nan 8.150 nan 0.000 0.445 180 R N -1.505 118.997 120.500 0.004 0.000 2.173 180 R HA 0.029 4.369 4.340 0.001 0.000 0.208 180 R C 2.010 178.323 176.300 0.023 0.000 1.035 180 R CA 1.213 57.317 56.100 0.007 0.000 1.004 180 R CB -0.343 29.945 30.300 -0.019 0.000 0.917 180 R HN 0.443 nan 8.270 nan 0.000 0.462 181 T N 0.719 115.302 114.554 0.048 0.000 2.777 181 T HA -0.069 4.281 4.350 0.001 0.000 0.266 181 T C 1.876 176.600 174.700 0.041 0.000 1.040 181 T CA 1.164 63.297 62.100 0.057 0.000 1.141 181 T CB 0.013 68.957 68.868 0.126 0.000 0.868 181 T HN -0.018 nan 8.240 nan 0.000 0.444 182 V N 1.168 121.121 119.914 0.066 0.000 2.719 182 V HA -0.006 4.114 4.120 0.001 0.000 0.252 182 V C 2.441 178.522 176.094 -0.022 0.000 1.065 182 V CA 1.230 63.528 62.300 -0.004 0.000 1.086 182 V CB -0.389 31.419 31.823 -0.025 0.000 0.700 182 V HN 0.363 nan 8.190 nan 0.000 0.467 183 E N 0.741 120.951 120.200 0.017 0.000 2.152 183 E HA -0.123 4.227 4.350 0.001 0.000 0.192 183 E C 2.186 178.781 176.600 -0.008 0.000 0.983 183 E CA 1.263 57.668 56.400 0.009 0.000 0.818 183 E CB -0.210 29.508 29.700 0.030 0.000 0.758 183 E HN 0.499 nan 8.360 nan 0.000 0.467 184 S N -0.932 114.765 115.700 -0.005 0.000 2.515 184 S HA -0.017 4.453 4.470 0.001 0.000 0.231 184 S C 1.595 176.186 174.600 -0.015 0.000 0.987 184 S CA 0.644 58.840 58.200 -0.006 0.000 0.936 184 S CB 0.208 63.407 63.200 -0.002 0.000 0.766 184 S HN 0.122 nan 8.310 nan 0.000 0.528 185 V N 3.160 123.053 119.914 -0.035 0.000 2.492 185 V HA -0.061 4.059 4.120 0.001 0.000 0.241 185 V C 2.398 178.451 176.094 -0.069 0.000 1.041 185 V CA 1.245 63.513 62.300 -0.053 0.000 1.057 185 V CB -0.635 31.136 31.823 -0.087 0.000 0.711 185 V HN 0.644 nan 8.190 nan 0.000 0.468 186 N N 1.173 119.816 118.700 -0.095 0.000 2.223 186 N HA -0.154 4.586 4.740 0.001 0.000 0.185 186 N C 1.749 177.210 175.510 -0.081 0.000 1.016 186 N CA 1.731 54.709 53.050 -0.119 0.000 0.863 186 N CB -0.293 38.108 38.487 -0.144 0.000 0.983 186 N HN 0.357 nan 8.380 nan 0.000 0.429 187 V N 1.810 121.690 119.914 -0.057 0.000 2.343 187 V HA -0.177 3.944 4.120 0.001 0.000 0.247 187 V C 2.584 178.630 176.094 -0.081 0.000 1.051 187 V CA 1.076 63.340 62.300 -0.060 0.000 1.036 187 V CB -0.422 31.378 31.823 -0.039 0.000 0.654 187 V HN 0.290 nan 8.190 nan 0.000 0.451 188 I N -0.418 120.138 120.570 -0.023 0.000 2.394 188 I HA -0.130 4.040 4.170 0.001 0.000 0.251 188 I C 2.351 178.505 176.117 0.061 0.000 1.136 188 I CA 1.232 62.571 61.300 0.063 0.000 1.425 188 I CB -1.125 36.963 38.000 0.146 0.000 1.079 188 I HN 0.167 nan 8.210 nan 0.000 0.425 189 V N 1.491 121.400 119.914 -0.008 0.000 2.221 189 V HA -0.247 3.873 4.120 0.001 0.000 0.240 189 V C 2.691 178.751 176.094 -0.056 0.000 1.041 189 V CA 2.158 64.444 62.300 -0.024 0.000 0.991 189 V CB -1.087 30.688 31.823 -0.080 0.000 0.634 189 V HN 0.534 nan 8.190 nan 0.000 0.450 190 S N -0.323 115.326 115.700 -0.084 0.000 2.413 190 S HA -0.302 4.169 4.470 0.001 0.000 0.237 190 S C 1.809 176.336 174.600 -0.122 0.000 1.044 190 S CA 2.301 60.451 58.200 -0.084 0.000 1.024 190 S CB -1.058 62.100 63.200 -0.071 0.000 0.829 190 S HN 0.629 nan 8.310 nan 0.000 0.475 191 T N 1.431 115.855 114.554 -0.217 0.000 2.590 191 T HA -0.014 4.336 4.350 0.001 0.000 0.257 191 T C 1.014 175.512 174.700 -0.336 0.000 1.080 191 T CA 1.541 63.410 62.100 -0.385 0.000 1.180 191 T CB -0.631 67.788 68.868 -0.749 0.000 0.865 191 T HN 0.605 nan 8.240 nan 0.000 0.403 192 Y N 1.640 121.923 120.300 -0.028 0.000 2.471 192 Y HA 0.567 5.117 4.550 0.001 0.000 0.321 192 Y C 0.868 176.747 175.900 -0.036 0.000 1.195 192 Y CA -1.038 57.044 58.100 -0.030 0.000 1.272 192 Y CB -0.865 37.575 38.460 -0.034 0.000 1.097 192 Y HN 0.126 nan 8.280 nan 0.000 0.507 193 A N 0.126 122.968 122.820 0.037 0.000 2.289 193 A HA 0.269 4.589 4.320 0.001 0.000 0.298 193 A C -0.095 177.485 177.584 -0.007 0.000 1.208 193 A CA -0.739 51.303 52.037 0.008 0.000 0.845 193 A CB 0.170 19.156 19.000 -0.023 0.000 1.125 193 A HN 0.138 nan 8.150 nan 0.000 0.517 194 D N 1.607 122.000 120.400 -0.012 0.000 2.390 194 D HA 0.008 4.648 4.640 0.001 0.000 0.236 194 D C 1.224 177.502 176.300 -0.037 0.000 1.189 194 D CA 0.404 54.391 54.000 -0.022 0.000 0.887 194 D CB 0.740 41.521 40.800 -0.032 0.000 1.198 194 D HN 0.688 nan 8.370 nan 0.000 0.444 195 E N 0.414 120.595 120.200 -0.031 0.000 2.072 195 E HA -0.090 4.261 4.350 0.001 0.000 0.190 195 E C 2.020 178.592 176.600 -0.047 0.000 0.982 195 E CA 0.524 56.904 56.400 -0.032 0.000 0.803 195 E CB 0.116 29.803 29.700 -0.020 0.000 0.755 195 E HN 0.198 nan 8.360 nan 0.000 0.453 196 V N 1.861 121.740 119.914 -0.058 0.000 2.343 196 V HA -0.239 3.882 4.120 0.001 0.000 0.247 196 V C 2.307 178.319 176.094 -0.135 0.000 1.051 196 V CA 1.440 63.691 62.300 -0.080 0.000 1.036 196 V CB -0.500 31.278 31.823 -0.075 0.000 0.654 196 V HN 0.264 nan 8.190 nan 0.000 0.451 197 L N 0.020 121.139 121.223 -0.175 0.000 2.353 197 L HA 0.128 4.469 4.340 0.001 0.000 0.220 197 L C 1.501 178.294 176.870 -0.129 0.000 1.133 197 L CA 0.817 55.522 54.840 -0.225 0.000 0.798 197 L CB -1.160 40.770 42.059 -0.216 0.000 0.922 197 L HN 0.606 nan 8.230 nan 0.000 0.445 198 G N 0.414 109.164 108.800 -0.084 0.000 2.749 198 G HA2 -0.356 3.604 3.960 0.001 0.000 0.242 198 G HA3 -0.356 3.604 3.960 0.001 0.000 0.242 198 G C -0.319 174.562 174.900 -0.033 0.000 1.364 198 G CA -0.070 45.002 45.100 -0.048 0.000 0.888 198 G HN 0.343 nan 8.290 nan 0.000 0.566 199 D N -0.802 119.595 120.400 -0.005 0.000 2.426 199 D HA 0.244 4.885 4.640 0.001 0.000 0.261 199 D C 0.948 177.262 176.300 0.023 0.000 1.245 199 D CA 0.988 55.003 54.000 0.025 0.000 0.917 199 D CB 1.071 41.914 40.800 0.071 0.000 1.123 199 D HN 0.932 nan 8.370 nan 0.000 0.508 200 V N 4.164 124.070 119.914 -0.014 0.000 3.432 200 V HA 0.101 4.222 4.120 0.001 0.000 0.298 200 V C 0.541 176.568 176.094 -0.112 0.000 1.464 200 V CA -0.066 62.208 62.300 -0.043 0.000 1.046 200 V CB -0.260 31.529 31.823 -0.057 0.000 0.887 200 V HN 0.574 nan 8.190 nan 0.000 0.441 201 Q N 1.131 120.835 119.800 -0.160 0.000 2.333 201 Q HA 0.138 4.478 4.340 0.001 0.000 0.299 201 Q C -0.011 175.594 176.000 -0.658 0.000 1.067 201 Q CA 0.439 56.002 55.803 -0.400 0.000 0.943 201 Q CB 1.239 29.686 28.738 -0.485 0.000 1.233 201 Q HN 0.519 nan 8.270 nan 0.000 0.401 202 V N 0.671 120.224 119.914 -0.603 0.000 2.488 202 V HA 0.284 4.405 4.120 0.001 0.000 0.277 202 V C -0.965 174.698 176.094 -0.719 0.000 1.046 202 V CA -0.514 61.459 62.300 -0.546 0.000 0.986 202 V CB -0.156 31.438 31.823 -0.382 0.000 0.989 202 V HN 0.501 nan 8.190 nan 0.000 0.475 203 Y N 4.968 125.113 120.300 -0.258 0.000 2.328 203 Y HA 0.474 5.024 4.550 0.001 0.000 0.333 203 Y C -1.859 173.827 175.900 -0.357 0.000 0.958 203 Y CA -2.375 55.555 58.100 -0.284 0.000 1.167 203 Y CB 2.089 40.438 38.460 -0.184 0.000 1.151 203 Y HN 0.423 nan 8.280 nan 0.000 0.470 204 P HA -0.203 nan 4.420 nan 0.000 0.216 204 P C 1.124 178.319 177.300 -0.175 0.000 1.150 204 P CA 1.967 64.800 63.100 -0.444 0.000 0.837 204 P CB 0.322 31.407 31.700 -1.026 0.000 0.786 205 A N -0.822 121.900 122.820 -0.164 0.000 2.235 205 A HA -0.026 4.294 4.320 0.001 0.000 0.208 205 A C 1.867 179.487 177.584 0.060 0.000 1.172 205 A CA 0.712 52.785 52.037 0.059 0.000 0.786 205 A CB -0.751 18.326 19.000 0.129 0.000 0.804 205 A HN 0.137 nan 8.150 nan 0.000 0.479 206 R N -2.021 118.500 120.500 0.035 0.000 2.373 206 R HA 0.282 4.622 4.340 0.001 0.000 0.221 206 R C 1.024 177.395 176.300 0.119 0.000 0.893 206 R CA 0.549 56.690 56.100 0.068 0.000 1.049 206 R CB 0.493 30.834 30.300 0.069 0.000 1.119 206 R HN 0.593 nan 8.270 nan 0.000 0.535 207 G N 1.302 110.139 108.800 0.060 0.000 2.134 207 G HA2 -0.245 3.715 3.960 0.001 0.000 0.209 207 G HA3 -0.245 3.715 3.960 0.001 0.000 0.209 207 G C 0.621 175.512 174.900 -0.016 0.000 0.993 207 G CA 0.492 45.658 45.100 0.110 0.000 0.669 207 G HN 0.362 nan 8.290 nan 0.000 0.519 208 T N -2.323 112.051 114.554 -0.299 0.000 3.105 208 T HA 0.564 4.914 4.350 0.001 0.000 0.253 208 T C 0.300 174.763 174.700 -0.396 0.000 1.047 208 T CA 0.403 62.194 62.100 -0.514 0.000 0.944 208 T CB 1.334 69.844 68.868 -0.596 0.000 1.016 208 T HN 0.833 nan 8.240 nan 0.000 0.544 209 V N 1.343 121.016 119.914 -0.403 0.000 2.524 209 V HA 0.794 4.915 4.120 0.001 0.000 0.297 209 V C -0.157 175.400 176.094 -0.895 0.000 1.035 209 V CA -1.184 60.761 62.300 -0.590 0.000 0.867 209 V CB 1.158 32.631 31.823 -0.584 0.000 1.004 209 V HN 0.584 nan 8.190 nan 0.000 0.426 210 A N 4.645 126.876 122.820 -0.982 0.000 2.309 210 A HA 1.069 5.389 4.320 0.001 0.000 0.317 210 A C -1.228 175.405 177.584 -1.586 0.000 1.134 210 A CA -0.495 50.888 52.037 -1.090 0.000 0.866 210 A CB 1.331 20.012 19.000 -0.531 0.000 1.329 210 A HN 0.677 nan 8.150 nan 0.000 0.477 211 F N -1.272 118.240 119.950 -0.731 0.000 2.608 211 F HA 0.734 5.262 4.527 0.001 0.000 0.309 211 F C 0.542 175.906 175.800 -0.727 0.000 1.103 211 F CA 0.195 57.724 58.000 -0.785 0.000 0.954 211 F CB 2.236 40.639 39.000 -0.995 0.000 1.267 211 F HN 1.153 nan 8.300 nan 0.000 0.444 212 G N 0.334 108.858 108.800 -0.459 0.000 2.333 212 G HA2 0.446 4.406 3.960 0.001 0.000 0.288 212 G HA3 0.446 4.406 3.960 0.001 0.000 0.288 212 G C -2.015 172.372 174.900 -0.854 0.000 1.286 212 G CA -0.458 44.003 45.100 -1.064 0.000 0.865 212 G HN 0.818 nan 8.290 nan 0.000 0.506 213 S N -1.711 113.321 115.700 -1.114 0.000 2.570 213 S HA 0.685 5.155 4.470 0.001 0.000 0.286 213 S C 1.078 175.531 174.600 -0.246 0.000 1.099 213 S CA 0.761 58.681 58.200 -0.466 0.000 0.913 213 S CB 1.442 64.509 63.200 -0.222 0.000 1.085 213 S HN 1.846 nan 8.310 nan 0.000 0.480 214 G N 1.878 110.644 108.800 -0.057 0.000 2.510 214 G HA2 0.048 4.008 3.960 0.001 0.000 0.212 214 G HA3 0.048 4.008 3.960 0.001 0.000 0.212 214 G C 1.176 176.119 174.900 0.071 0.000 1.151 214 G CA 0.534 45.635 45.100 0.002 0.000 0.817 214 G HN 0.618 nan 8.290 nan 0.000 0.534 215 L N 0.728 122.022 121.223 0.118 0.000 2.012 215 L HA -0.061 4.279 4.340 0.001 0.000 0.210 215 L C 2.441 179.361 176.870 0.082 0.000 1.073 215 L CA 2.119 57.018 54.840 0.099 0.000 0.748 215 L CB -0.762 41.369 42.059 0.119 0.000 0.891 215 L HN 0.310 nan 8.230 nan 0.000 0.431 216 H N -0.247 118.927 119.070 0.173 0.000 2.512 216 H HA 0.355 4.911 4.556 0.001 0.000 0.279 216 H C 1.394 176.886 175.328 0.275 0.000 0.999 216 H CA 0.529 56.743 56.048 0.277 0.000 1.283 216 H CB -0.203 29.885 29.762 0.544 0.000 1.421 216 H HN 0.456 nan 8.280 nan 0.000 0.554 217 G N 0.045 109.025 108.800 0.300 0.000 2.248 217 G HA2 -0.191 3.769 3.960 0.001 0.000 0.252 217 G HA3 -0.191 3.769 3.960 0.001 0.000 0.252 217 G C -0.284 174.806 174.900 0.316 0.000 1.085 217 G CA 0.251 45.480 45.100 0.215 0.000 0.845 217 G HN 0.505 nan 8.290 nan 0.000 0.494 218 W N -0.992 120.431 121.300 0.205 0.000 2.883 218 W HA 0.831 5.492 4.660 0.001 0.000 0.335 218 W C -0.451 176.197 176.519 0.215 0.000 1.083 218 W CA -1.487 55.989 57.345 0.218 0.000 1.233 218 W CB 1.532 31.170 29.460 0.296 0.000 1.412 218 W HN 1.118 nan 8.180 nan 0.000 0.490 219 A N 4.225 127.235 122.820 0.316 0.000 2.589 219 A HA 0.872 5.192 4.320 0.001 0.000 0.296 219 A C -2.129 175.652 177.584 0.329 0.000 1.062 219 A CA -0.785 51.319 52.037 0.112 0.000 0.686 219 A CB 1.473 20.402 19.000 -0.118 0.000 1.282 219 A HN 1.060 nan 8.150 nan 0.000 0.404 220 F N -0.448 119.633 119.950 0.218 0.000 2.601 220 F HA 0.841 5.368 4.527 0.001 0.000 0.309 220 F C -0.089 175.837 175.800 0.210 0.000 1.089 220 F CA -0.299 57.828 58.000 0.211 0.000 0.940 220 F CB 1.525 40.758 39.000 0.390 0.000 1.273 220 F HN 0.732 nan 8.300 nan 0.000 0.450 221 T N 0.040 114.741 114.554 0.246 0.000 2.925 221 T HA 0.488 4.839 4.350 0.001 0.000 0.285 221 T C 0.883 175.871 174.700 0.480 0.000 1.021 221 T CA -0.795 61.413 62.100 0.180 0.000 1.042 221 T CB 1.505 70.401 68.868 0.047 0.000 1.037 221 T HN 0.775 nan 8.240 nan 0.000 0.481 222 I N 0.377 121.242 120.570 0.492 0.000 2.567 222 I HA -0.088 4.082 4.170 0.001 0.000 0.257 222 I C 2.810 179.159 176.117 0.387 0.000 1.184 222 I CA 1.046 62.693 61.300 0.578 0.000 1.451 222 I CB -0.334 37.983 38.000 0.528 0.000 1.089 222 I HN 0.727 nan 8.210 nan 0.000 0.441 223 R N 0.819 121.468 120.500 0.249 0.000 2.236 223 R HA -0.107 4.233 4.340 0.001 0.000 0.208 223 R C 2.092 178.464 176.300 0.122 0.000 1.036 223 R CA 0.778 56.974 56.100 0.159 0.000 1.001 223 R CB 0.128 30.487 30.300 0.098 0.000 0.896 223 R HN 0.459 nan 8.270 nan 0.000 0.464 224 Q N -0.731 119.144 119.800 0.125 0.000 2.033 224 Q HA -0.092 4.249 4.340 0.001 0.000 0.196 224 Q C 1.474 177.441 176.000 -0.055 0.000 0.970 224 Q CA 1.318 57.109 55.803 -0.020 0.000 0.828 224 Q CB -0.001 28.670 28.738 -0.111 0.000 0.895 224 Q HN 0.287 nan 8.270 nan 0.000 0.440 225 F N 0.308 120.338 119.950 0.132 0.000 2.546 225 F HA -0.039 4.488 4.527 0.001 0.000 0.298 225 F C 2.038 177.951 175.800 0.187 0.000 1.120 225 F CA 0.798 58.878 58.000 0.134 0.000 1.456 225 F CB -0.184 38.947 39.000 0.218 0.000 1.088 225 F HN 0.074 nan 8.300 nan 0.000 0.572 226 A N -0.960 122.043 122.820 0.305 0.000 2.016 226 A HA -0.062 4.258 4.320 0.001 0.000 0.217 226 A C 2.148 179.809 177.584 0.127 0.000 1.162 226 A CA 1.641 53.810 52.037 0.220 0.000 0.662 226 A CB -0.908 18.195 19.000 0.171 0.000 0.812 226 A HN 0.271 nan 8.150 nan 0.000 0.450 227 T N -0.506 114.090 114.554 0.069 0.000 3.067 227 T HA 0.005 4.355 4.350 0.001 0.000 0.261 227 T C 1.919 176.607 174.700 -0.021 0.000 1.110 227 T CA 1.005 63.112 62.100 0.012 0.000 1.113 227 T CB -0.049 68.806 68.868 -0.022 0.000 0.917 227 T HN 0.516 nan 8.240 nan 0.000 0.499 228 R N -0.119 120.356 120.500 -0.041 0.000 2.075 228 R HA 0.133 4.473 4.340 0.001 0.000 0.220 228 R C 1.334 177.525 176.300 -0.182 0.000 1.118 228 R CA 0.777 56.782 56.100 -0.159 0.000 0.986 228 R CB -0.176 29.961 30.300 -0.271 0.000 0.884 228 R HN 0.334 nan 8.270 nan 0.000 0.439 229 Y N 0.460 120.802 120.300 0.070 0.000 2.502 229 Y HA 0.198 4.748 4.550 0.001 0.000 0.295 229 Y C 1.817 177.765 175.900 0.079 0.000 1.193 229 Y CA -0.026 58.106 58.100 0.054 0.000 1.295 229 Y CB 0.020 38.586 38.460 0.177 0.000 1.059 229 Y HN 0.136 nan 8.280 nan 0.000 0.514 230 A N -0.317 122.587 122.820 0.139 0.000 2.072 230 A HA -0.039 4.282 4.320 0.001 0.000 0.216 230 A C 2.045 179.663 177.584 0.056 0.000 1.156 230 A CA 0.927 53.020 52.037 0.093 0.000 0.701 230 A CB -0.042 18.990 19.000 0.052 0.000 0.816 230 A HN 0.341 nan 8.150 nan 0.000 0.458 231 K N -0.372 120.034 120.400 0.009 0.000 2.214 231 K HA 0.105 4.425 4.320 0.001 0.000 0.201 231 K C 1.712 178.279 176.600 -0.056 0.000 1.049 231 K CA 0.658 56.934 56.287 -0.019 0.000 0.978 231 K CB -0.014 32.462 32.500 -0.040 0.000 0.842 231 K HN 0.227 nan 8.250 nan 0.000 0.474 232 K N 0.179 120.488 120.400 -0.150 0.000 2.209 232 K HA -0.058 4.262 4.320 0.001 0.000 0.204 232 K C 1.035 177.407 176.600 -0.381 0.000 1.048 232 K CA 1.207 57.302 56.287 -0.320 0.000 0.940 232 K CB 0.054 32.251 32.500 -0.504 0.000 0.729 232 K HN 0.061 nan 8.250 nan 0.000 0.451 233 F N -0.457 119.535 119.950 0.071 0.000 2.682 233 F HA 0.264 4.791 4.527 0.001 0.000 0.308 233 F C 0.966 176.793 175.800 0.045 0.000 1.093 233 F CA -0.254 57.777 58.000 0.053 0.000 1.244 233 F CB 0.574 39.579 39.000 0.009 0.000 1.052 233 F HN 0.014 nan 8.300 nan 0.000 0.573 234 G N 1.919 110.811 108.800 0.154 0.000 2.350 234 G HA2 -0.149 3.812 3.960 0.001 0.000 0.298 234 G HA3 -0.149 3.812 3.960 0.001 0.000 0.298 234 G C -0.599 174.353 174.900 0.087 0.000 1.037 234 G CA 0.267 45.426 45.100 0.099 0.000 1.074 234 G HN 0.205 nan 8.290 nan 0.000 0.511 235 V N 0.604 120.563 119.914 0.074 0.000 2.733 235 V HA 0.423 4.543 4.120 0.001 0.000 0.306 235 V C 0.108 176.207 176.094 0.008 0.000 1.084 235 V CA -0.611 61.703 62.300 0.023 0.000 0.905 235 V CB 2.113 33.920 31.823 -0.026 0.000 1.010 235 V HN 0.704 nan 8.190 nan 0.000 0.424 236 D N 2.948 123.344 120.400 -0.006 0.000 2.583 236 D HA -0.054 4.586 4.640 0.001 0.000 0.232 236 D C 1.124 177.418 176.300 -0.011 0.000 1.128 236 D CA 0.025 54.021 54.000 -0.006 0.000 0.859 236 D CB 0.636 41.430 40.800 -0.011 0.000 1.169 236 D HN 0.755 nan 8.370 nan 0.000 0.481 237 K N 1.806 122.209 120.400 0.005 0.000 2.360 237 K HA -0.168 4.152 4.320 0.001 0.000 0.201 237 K C 1.723 178.327 176.600 0.007 0.000 1.046 237 K CA 0.809 57.106 56.287 0.016 0.000 0.945 237 K CB -0.121 32.397 32.500 0.029 0.000 0.750 237 K HN 0.430 nan 8.250 nan 0.000 0.464 238 A N 2.293 125.110 122.820 -0.005 0.000 1.902 238 A HA -0.187 4.134 4.320 0.001 0.000 0.217 238 A C 2.166 179.737 177.584 -0.023 0.000 1.181 238 A CA 1.798 53.830 52.037 -0.008 0.000 0.623 238 A CB -0.413 18.580 19.000 -0.013 0.000 0.818 238 A HN 0.445 nan 8.150 nan 0.000 0.443 239 K N -1.738 118.633 120.400 -0.048 0.000 2.262 239 K HA 0.072 4.392 4.320 0.001 0.000 0.200 239 K C 1.894 178.414 176.600 -0.132 0.000 1.049 239 K CA 0.942 57.175 56.287 -0.089 0.000 0.979 239 K CB -0.108 32.325 32.500 -0.112 0.000 0.773 239 K HN 0.322 nan 8.250 nan 0.000 0.474 240 M N 0.842 120.378 119.600 -0.107 0.000 2.296 240 M HA -0.037 4.443 4.480 0.001 0.000 0.265 240 M C 1.702 177.981 176.300 -0.035 0.000 1.064 240 M CA 1.487 56.714 55.300 -0.122 0.000 1.109 240 M CB 0.040 32.622 32.600 -0.029 0.000 1.396 240 M HN 0.167 nan 8.290 nan 0.000 0.430 241 M N -1.010 118.605 119.600 0.025 0.000 2.200 241 M HA -0.164 4.316 4.480 0.001 0.000 0.265 241 M C 1.755 178.120 176.300 0.108 0.000 1.066 241 M CA 1.380 56.741 55.300 0.101 0.000 1.127 241 M CB -0.609 32.048 32.600 0.096 0.000 1.379 241 M HN 0.217 nan 8.290 nan 0.000 0.420 242 D N 0.594 121.015 120.400 0.035 0.000 2.117 242 D HA -0.126 4.514 4.640 0.001 0.000 0.197 242 D C 1.991 178.321 176.300 0.050 0.000 0.987 242 D CA 1.411 55.437 54.000 0.044 0.000 0.829 242 D CB 0.056 40.847 40.800 -0.015 0.000 0.961 242 D HN 0.259 nan 8.370 nan 0.000 0.460 243 R N -0.154 120.306 120.500 -0.067 0.000 2.073 243 R HA -0.043 4.297 4.340 0.001 0.000 0.234 243 R C 2.682 179.045 176.300 0.104 0.000 1.134 243 R CA 0.733 56.773 56.100 -0.100 0.000 0.952 243 R CB -0.412 29.549 30.300 -0.565 0.000 0.850 243 R HN 0.233 nan 8.270 nan 0.000 0.433 244 L N -0.308 121.018 121.223 0.171 0.000 1.991 244 L HA -0.237 4.103 4.340 0.001 0.000 0.221 244 L C 1.580 178.723 176.870 0.456 0.000 1.079 244 L CA 1.148 56.204 54.840 0.360 0.000 0.778 244 L CB -0.569 41.748 42.059 0.430 0.000 0.893 244 L HN 0.354 nan 8.230 nan 0.000 0.437 245 W N 0.698 122.147 121.300 0.249 0.000 2.303 245 W HA 0.411 5.071 4.660 0.001 0.000 0.334 245 W C 0.557 177.140 176.519 0.107 0.000 1.197 245 W CA 0.672 58.130 57.345 0.188 0.000 1.262 245 W CB 0.776 30.336 29.460 0.166 0.000 1.153 245 W HN 0.297 nan 8.180 nan 0.000 0.596 246 G N 3.398 111.916 108.800 -0.470 0.000 2.681 246 G HA2 -0.256 3.704 3.960 0.001 0.000 0.220 246 G HA3 -0.256 3.704 3.960 0.001 0.000 0.220 246 G C -0.787 173.943 174.900 -0.282 0.000 1.353 246 G CA -0.370 44.593 45.100 -0.228 0.000 0.872 246 G HN 0.492 nan 8.290 nan 0.000 0.557 247 D N 1.581 121.866 120.400 -0.192 0.000 2.498 247 D HA 0.487 5.127 4.640 0.001 0.000 0.229 247 D C -0.027 176.035 176.300 -0.398 0.000 1.188 247 D CA 0.756 54.566 54.000 -0.317 0.000 1.028 247 D CB 0.189 40.987 40.800 -0.005 0.000 1.087 247 D HN 0.551 nan 8.370 nan 0.000 0.510 248 S N 1.631 116.910 115.700 -0.702 0.000 2.736 248 S HA 0.489 4.959 4.470 0.001 0.000 0.285 248 S C -0.640 173.725 174.600 -0.392 0.000 1.163 248 S CA -0.736 57.281 58.200 -0.306 0.000 1.025 248 S CB 0.800 64.009 63.200 0.014 0.000 1.030 248 S HN 0.125 nan 8.310 nan 0.000 0.486 249 F N 1.588 121.682 119.950 0.240 0.000 2.579 249 F HA 0.696 5.223 4.527 0.001 0.000 0.324 249 F C -0.495 175.263 175.800 -0.069 0.000 1.058 249 F CA -1.189 56.853 58.000 0.069 0.000 0.944 249 F CB 1.117 40.094 39.000 -0.038 0.000 1.245 249 F HN 0.528 nan 8.300 nan 0.000 0.477 250 F N 2.716 122.470 119.950 -0.326 0.000 2.532 250 F HA 0.384 4.911 4.527 0.001 0.000 0.365 250 F C -0.309 175.246 175.800 -0.407 0.000 1.112 250 F CA -0.866 56.694 58.000 -0.732 0.000 1.082 250 F CB 0.356 38.621 39.000 -1.226 0.000 1.319 250 F HN 0.381 nan 8.300 nan 0.000 0.457 251 N N 7.438 125.733 118.700 -0.675 0.000 2.416 251 N HA 0.151 4.891 4.740 0.001 0.000 0.265 251 N C -1.934 173.174 175.510 -0.670 0.000 1.195 251 N CA -1.760 50.978 53.050 -0.520 0.000 0.943 251 N CB 1.438 39.709 38.487 -0.361 0.000 1.115 251 N HN 0.307 nan 8.380 nan 0.000 0.481 252 P HA -0.091 nan 4.420 nan 0.000 0.222 252 P C 0.596 177.761 177.300 -0.225 0.000 1.147 252 P CA 1.374 64.309 63.100 -0.275 0.000 0.790 252 P CB 0.444 32.057 31.700 -0.145 0.000 0.780 253 K N -0.850 119.416 120.400 -0.224 0.000 2.029 253 K HA -0.029 4.291 4.320 0.001 0.000 0.205 253 K C 2.136 178.635 176.600 -0.168 0.000 1.042 253 K CA 1.945 58.136 56.287 -0.159 0.000 0.949 253 K CB -1.000 31.419 32.500 -0.135 0.000 0.740 253 K HN 0.205 nan 8.250 nan 0.000 0.442 254 T N -0.804 113.621 114.554 -0.215 0.000 3.055 254 T HA 0.003 4.353 4.350 0.001 0.000 0.265 254 T C 0.631 175.199 174.700 -0.220 0.000 1.111 254 T CA 0.319 62.308 62.100 -0.185 0.000 1.118 254 T CB -0.027 68.738 68.868 -0.173 0.000 0.909 254 T HN 0.005 nan 8.240 nan 0.000 0.501 255 K N 0.745 120.912 120.400 -0.389 0.000 3.069 255 K HA -0.111 4.209 4.320 0.001 0.000 0.267 255 K C -0.554 175.843 176.600 -0.339 0.000 1.082 255 K CA 0.860 56.890 56.287 -0.428 0.000 0.782 255 K CB -1.645 30.806 32.500 -0.083 0.000 1.230 255 K HN 0.632 nan 8.250 nan 0.000 0.488 256 K N -0.765 119.362 120.400 -0.455 0.000 2.508 256 K HA 0.366 4.686 4.320 0.001 0.000 0.260 256 K C -0.502 176.011 176.600 -0.144 0.000 0.949 256 K CA -0.810 55.406 56.287 -0.118 0.000 0.834 256 K CB 1.127 33.627 32.500 0.001 0.000 1.365 256 K HN -0.077 nan 8.250 nan 0.000 0.437 257 W N 1.119 122.472 121.300 0.089 0.000 2.261 257 W HA 0.282 4.942 4.660 0.001 0.000 0.323 257 W C 0.166 176.734 176.519 0.082 0.000 1.243 257 W CA 0.278 57.707 57.345 0.139 0.000 1.210 257 W CB 1.152 30.704 29.460 0.155 0.000 1.149 257 W HN 0.344 nan 8.180 nan 0.000 0.562 258 T N 2.023 116.775 114.554 0.331 0.000 2.883 258 T HA 0.178 4.529 4.350 0.001 0.000 0.301 258 T C 0.152 175.055 174.700 0.338 0.000 1.158 258 T CA -0.944 61.302 62.100 0.244 0.000 1.007 258 T CB 1.543 70.487 68.868 0.126 0.000 1.186 258 T HN 0.261 nan 8.240 nan 0.000 0.499 259 N N 0.747 119.601 118.700 0.256 0.000 2.235 259 N HA 0.142 4.882 4.740 0.001 0.000 0.209 259 N C -0.337 175.366 175.510 0.322 0.000 1.122 259 N CA 0.115 53.333 53.050 0.280 0.000 0.845 259 N CB 0.462 39.044 38.487 0.159 0.000 1.004 259 N HN 0.412 nan 8.380 nan 0.000 0.499 260 K N 0.975 121.509 120.400 0.223 0.000 2.206 260 K HA 0.120 4.441 4.320 0.001 0.000 0.264 260 K C -0.286 176.072 176.600 -0.403 0.000 0.967 260 K CA -0.575 55.717 56.287 0.009 0.000 0.844 260 K CB 1.223 33.697 32.500 -0.042 0.000 1.099 260 K HN 0.005 nan 8.250 nan 0.000 0.441 261 D N 0.680 120.738 120.400 -0.570 0.000 2.400 261 D HA -0.005 4.636 4.640 0.001 0.000 0.243 261 D C -0.607 175.347 176.300 -0.577 0.000 1.184 261 D CA -0.061 53.296 54.000 -1.072 0.000 0.853 261 D CB 0.254 40.710 40.800 -0.572 0.000 0.944 261 D HN 0.120 nan 8.370 nan 0.000 0.501 262 T N 0.152 114.460 114.554 -0.410 0.000 3.172 262 T HA 0.093 4.443 4.350 0.001 0.000 0.320 262 T C -1.194 173.387 174.700 -0.198 0.000 1.085 262 T CA -0.952 60.995 62.100 -0.255 0.000 1.052 262 T CB 2.186 70.950 68.868 -0.172 0.000 1.107 262 T HN 0.160 nan 8.240 nan 0.000 0.458 263 D N 1.936 122.228 120.400 -0.179 0.000 2.363 263 D HA 0.263 4.904 4.640 0.001 0.000 0.240 263 D C 1.566 177.803 176.300 -0.106 0.000 1.236 263 D CA 0.037 53.952 54.000 -0.141 0.000 0.927 263 D CB 1.372 42.089 40.800 -0.139 0.000 1.150 263 D HN 0.546 nan 8.370 nan 0.000 0.458 264 A N 2.587 125.354 122.820 -0.088 0.000 1.927 264 A HA -0.234 4.087 4.320 0.001 0.000 0.220 264 A C 1.790 179.335 177.584 -0.064 0.000 1.185 264 A CA 1.706 53.702 52.037 -0.068 0.000 0.639 264 A CB -0.524 18.441 19.000 -0.059 0.000 0.820 264 A HN 0.776 nan 8.150 nan 0.000 0.451 265 E N -1.615 118.543 120.200 -0.069 0.000 2.502 265 E HA 0.274 4.624 4.350 0.001 0.000 0.194 265 E C 0.947 177.508 176.600 -0.066 0.000 1.062 265 E CA 0.252 56.615 56.400 -0.062 0.000 0.867 265 E CB -0.170 29.494 29.700 -0.061 0.000 0.888 265 E HN 0.821 nan 8.360 nan 0.000 0.510 266 G N 2.234 110.988 108.800 -0.078 0.000 2.142 266 G HA2 -0.270 3.691 3.960 0.001 0.000 0.225 266 G HA3 -0.270 3.691 3.960 0.001 0.000 0.225 266 G C -0.151 174.692 174.900 -0.095 0.000 1.015 266 G CA -0.234 44.817 45.100 -0.082 0.000 0.716 266 G HN 0.122 nan 8.290 nan 0.000 0.508 267 K N 0.877 121.213 120.400 -0.108 0.000 2.201 267 K HA 0.441 4.761 4.320 0.001 0.000 0.278 267 K C -2.552 173.956 176.600 -0.153 0.000 1.027 267 K CA -1.923 54.294 56.287 -0.117 0.000 0.909 267 K CB 1.439 33.872 32.500 -0.111 0.000 1.062 267 K HN -0.006 nan 8.250 nan 0.000 0.465 268 P HA 0.017 nan 4.420 nan 0.000 0.266 268 P C -0.752 176.419 177.300 -0.215 0.000 1.215 268 P CA 0.244 63.232 63.100 -0.187 0.000 0.763 268 P CB 0.417 32.031 31.700 -0.144 0.000 0.806 269 L N 2.508 123.545 121.223 -0.311 0.000 2.343 269 L HA 0.379 4.720 4.340 0.001 0.000 0.275 269 L C 0.996 177.744 176.870 -0.203 0.000 1.056 269 L CA -0.710 53.956 54.840 -0.290 0.000 0.804 269 L CB 1.106 42.941 42.059 -0.373 0.000 1.203 269 L HN 0.339 nan 8.230 nan 0.000 0.440 270 E N 2.576 122.723 120.200 -0.088 0.000 2.301 270 E HA 0.175 4.526 4.350 0.001 0.000 0.275 270 E C -0.268 176.436 176.600 0.172 0.000 1.030 270 E CA -0.669 55.718 56.400 -0.022 0.000 0.852 270 E CB 1.135 30.754 29.700 -0.135 0.000 1.060 270 E HN 0.369 nan 8.360 nan 0.000 0.401 271 R N 2.371 122.958 120.500 0.144 0.000 2.734 271 R HA 0.052 4.392 4.340 0.001 0.000 0.266 271 R C 0.816 177.085 176.300 -0.052 0.000 1.044 271 R CA 0.701 56.782 56.100 -0.031 0.000 1.128 271 R CB 0.580 30.691 30.300 -0.316 0.000 1.010 271 R HN 0.731 nan 8.270 nan 0.000 0.461 272 A N 4.035 126.863 122.820 0.013 0.000 1.978 272 A HA -0.198 4.122 4.320 0.001 0.000 0.220 272 A C 1.800 179.564 177.584 0.300 0.000 1.170 272 A CA 1.268 53.504 52.037 0.331 0.000 0.636 272 A CB -0.533 18.811 19.000 0.573 0.000 0.810 272 A HN 0.843 nan 8.150 nan 0.000 0.448 273 F N 1.171 121.127 119.950 0.010 0.000 2.163 273 F HA -0.100 4.428 4.527 0.001 0.000 0.297 273 F C 1.770 177.538 175.800 -0.054 0.000 1.094 273 F CA 1.827 59.845 58.000 0.031 0.000 1.290 273 F CB -0.134 38.892 39.000 0.042 0.000 1.017 273 F HN 0.242 nan 8.300 nan 0.000 0.483 274 N N -0.375 118.329 118.700 0.007 0.000 2.396 274 N HA -0.105 4.635 4.740 0.001 0.000 0.180 274 N C 1.654 177.011 175.510 -0.254 0.000 1.028 274 N CA 1.179 54.159 53.050 -0.117 0.000 0.893 274 N CB -0.264 38.143 38.487 -0.134 0.000 0.967 274 N HN 0.380 nan 8.380 nan 0.000 0.440 275 M N -1.615 117.794 119.600 -0.318 0.000 2.514 275 M HA 0.216 4.696 4.480 0.001 0.000 0.258 275 M C 0.148 176.043 176.300 -0.674 0.000 1.159 275 M CA 0.716 55.702 55.300 -0.523 0.000 1.116 275 M CB 0.373 32.566 32.600 -0.678 0.000 1.333 275 M HN -0.044 nan 8.290 nan 0.000 0.487 276 F N -0.929 118.852 119.950 -0.282 0.000 2.680 276 F HA 0.213 4.740 4.527 0.001 0.000 0.290 276 F C 1.574 177.108 175.800 -0.444 0.000 1.114 276 F CA 0.033 57.811 58.000 -0.369 0.000 1.333 276 F CB 0.276 38.988 39.000 -0.480 0.000 1.091 276 F HN -0.004 nan 8.300 nan 0.000 0.606 277 I N -0.764 119.532 120.570 -0.458 0.000 3.136 277 I HA 0.063 4.234 4.170 0.001 0.000 0.262 277 I C 2.072 177.791 176.117 -0.663 0.000 1.132 277 I CA 0.744 61.511 61.300 -0.888 0.000 1.450 277 I CB -1.181 36.032 38.000 -1.312 0.000 1.315 277 I HN 0.028 nan 8.210 nan 0.000 0.460 278 L N 0.728 121.658 121.223 -0.489 0.000 2.156 278 L HA -0.153 4.187 4.340 0.001 0.000 0.208 278 L C 2.228 179.060 176.870 -0.063 0.000 1.095 278 L CA 1.243 55.999 54.840 -0.140 0.000 0.770 278 L CB -0.449 41.590 42.059 -0.033 0.000 0.914 278 L HN 0.225 nan 8.230 nan 0.000 0.439 279 D N 0.166 120.444 120.400 -0.203 0.000 2.092 279 D HA -0.137 4.503 4.640 0.001 0.000 0.193 279 D C -0.560 175.702 176.300 -0.062 0.000 0.994 279 D CA 1.484 55.386 54.000 -0.163 0.000 0.828 279 D CB -0.802 39.867 40.800 -0.219 0.000 0.963 279 D HN 0.089 nan 8.370 nan 0.000 0.450 280 P HA -0.078 nan 4.420 nan 0.000 0.215 280 P C 1.595 178.818 177.300 -0.128 0.000 1.157 280 P CA 1.131 64.182 63.100 -0.082 0.000 0.868 280 P CB -0.076 31.612 31.700 -0.020 0.000 0.788 281 I N -2.798 117.705 120.570 -0.112 0.000 2.361 281 I HA -0.224 3.947 4.170 0.001 0.000 0.251 281 I C 2.143 178.162 176.117 -0.164 0.000 1.133 281 I CA 1.292 62.490 61.300 -0.169 0.000 1.413 281 I CB -0.679 37.174 38.000 -0.246 0.000 1.073 281 I HN -0.157 nan 8.210 nan 0.000 0.424 282 F N 1.557 121.362 119.950 -0.241 0.000 2.102 282 F HA -0.174 4.353 4.527 0.000 0.000 0.298 282 F C 2.610 178.378 175.800 -0.053 0.000 1.105 282 F CA 1.450 59.340 58.000 -0.183 0.000 1.239 282 F CB -0.291 38.623 39.000 -0.143 0.000 0.991 282 F HN -0.058 nan 8.300 nan 0.000 0.474 283 R N 0.157 120.726 120.500 0.114 0.000 2.148 283 R HA -0.055 4.285 4.340 0.001 0.000 0.227 283 R C 2.239 178.552 176.300 0.022 0.000 1.103 283 R CA 0.824 56.956 56.100 0.053 0.000 0.983 283 R CB -1.318 28.985 30.300 0.005 0.000 0.874 283 R HN 0.357 nan 8.270 nan 0.000 0.451 284 L N -0.701 120.528 121.223 0.010 0.000 2.141 284 L HA -0.044 4.297 4.340 0.001 0.000 0.209 284 L C 2.008 178.892 176.870 0.022 0.000 1.094 284 L CA 1.083 55.911 54.840 -0.021 0.000 0.763 284 L CB -0.315 41.687 42.059 -0.095 0.000 0.908 284 L HN 0.050 nan 8.230 nan 0.000 0.437 285 F N -0.774 119.063 119.950 -0.188 0.000 2.367 285 F HA -0.121 4.406 4.527 0.000 0.000 0.298 285 F C 2.425 178.139 175.800 -0.144 0.000 1.094 285 F CA 0.882 58.769 58.000 -0.188 0.000 1.409 285 F CB -0.145 38.695 39.000 -0.267 0.000 1.064 285 F HN -0.025 nan 8.300 nan 0.000 0.528 286 T N -0.787 113.815 114.554 0.081 0.000 3.014 286 T HA 0.036 4.386 4.350 0.001 0.000 0.263 286 T C 2.033 176.723 174.700 -0.016 0.000 1.078 286 T CA 0.986 63.107 62.100 0.035 0.000 1.135 286 T CB -0.091 68.816 68.868 0.065 0.000 0.895 286 T HN 0.262 nan 8.240 nan 0.000 0.480 287 A N 0.485 123.286 122.820 -0.032 0.000 2.044 287 A HA 0.340 4.661 4.320 0.001 0.000 0.213 287 A C 2.083 179.610 177.584 -0.094 0.000 1.169 287 A CA 0.302 52.310 52.037 -0.048 0.000 0.724 287 A CB -0.280 18.698 19.000 -0.037 0.000 0.840 287 A HN 0.447 nan 8.150 nan 0.000 0.463 288 I N -0.784 119.699 120.570 -0.145 0.000 2.494 288 I HA -0.134 4.036 4.170 0.001 0.000 0.250 288 I C 2.428 178.319 176.117 -0.378 0.000 1.112 288 I CA 0.649 61.821 61.300 -0.212 0.000 1.438 288 I CB -0.218 37.646 38.000 -0.226 0.000 1.111 288 I HN 0.196 nan 8.210 nan 0.000 0.431 289 M N 0.631 120.013 119.600 -0.363 0.000 2.086 289 M HA -0.168 4.312 4.480 0.001 0.000 0.261 289 M C 1.496 177.381 176.300 -0.691 0.000 1.067 289 M CA 1.758 56.768 55.300 -0.483 0.000 1.116 289 M CB -1.543 30.910 32.600 -0.244 0.000 1.348 289 M HN 0.184 nan 8.290 nan 0.000 0.407 290 N N -0.168 118.327 118.700 -0.342 0.000 2.515 290 N HA 0.022 4.763 4.740 0.001 0.000 0.191 290 N C -0.378 175.142 175.510 0.017 0.000 1.182 290 N CA 0.098 53.067 53.050 -0.135 0.000 0.879 290 N CB -0.571 37.907 38.487 -0.015 0.000 0.984 290 N HN 0.224 nan 8.380 nan 0.000 0.453 291 F N -0.824 119.122 119.950 -0.008 0.000 3.093 291 F HA -0.290 4.237 4.527 0.001 0.000 0.287 291 F C 0.010 175.805 175.800 -0.007 0.000 0.882 291 F CA 0.283 58.277 58.000 -0.009 0.000 1.063 291 F CB -2.262 36.734 39.000 -0.006 0.000 1.097 291 F HN 0.002 nan 8.300 nan 0.000 0.604 292 K N 1.082 121.531 120.400 0.082 0.000 2.095 292 K HA 0.078 4.398 4.320 0.001 0.000 0.258 292 K C 1.078 177.706 176.600 0.046 0.000 1.120 292 K CA -0.084 56.238 56.287 0.058 0.000 1.026 292 K CB 0.143 32.657 32.500 0.023 0.000 1.256 292 K HN 0.399 nan 8.250 nan 0.000 0.360 293 K N 0.861 121.298 120.400 0.061 0.000 2.442 293 K HA -0.111 4.209 4.320 0.001 0.000 0.198 293 K C 0.589 177.204 176.600 0.026 0.000 1.042 293 K CA 0.774 57.088 56.287 0.045 0.000 0.958 293 K CB 0.186 32.715 32.500 0.048 0.000 0.766 293 K HN 0.372 nan 8.250 nan 0.000 0.474 294 D N 0.861 121.275 120.400 0.023 0.000 2.305 294 D HA -0.047 4.593 4.640 0.001 0.000 0.206 294 D C 1.354 177.658 176.300 0.008 0.000 0.974 294 D CA 0.885 54.893 54.000 0.014 0.000 0.871 294 D CB 0.367 41.175 40.800 0.014 0.000 0.947 294 D HN 0.324 nan 8.370 nan 0.000 0.516 295 E N 0.033 120.236 120.200 0.006 0.000 2.162 295 E HA 0.103 4.453 4.350 0.001 0.000 0.193 295 E C 2.251 178.844 176.600 -0.012 0.000 0.953 295 E CA -0.123 56.275 56.400 -0.004 0.000 0.849 295 E CB 0.459 30.156 29.700 -0.005 0.000 0.810 295 E HN 0.135 nan 8.360 nan 0.000 0.470 296 I N 2.788 123.350 120.570 -0.012 0.000 2.091 296 I HA -0.275 3.896 4.170 0.001 0.000 0.240 296 I C -0.531 175.574 176.117 -0.020 0.000 1.046 296 I CA 1.555 62.842 61.300 -0.022 0.000 1.306 296 I CB -1.591 36.399 38.000 -0.016 0.000 1.018 296 I HN 0.142 nan 8.210 nan 0.000 0.404 297 P HA -0.123 nan 4.420 nan 0.000 0.213 297 P C 1.965 179.260 177.300 -0.008 0.000 1.170 297 P CA 1.680 64.777 63.100 -0.006 0.000 0.898 297 P CB -0.188 31.512 31.700 0.001 0.000 0.787 298 V N -0.011 119.899 119.914 -0.007 0.000 2.490 298 V HA -0.200 3.921 4.120 0.001 0.000 0.250 298 V C 2.725 178.811 176.094 -0.013 0.000 1.061 298 V CA 1.469 63.765 62.300 -0.006 0.000 1.064 298 V CB -1.375 30.446 31.823 -0.003 0.000 0.670 298 V HN 0.010 nan 8.190 nan 0.000 0.461 299 L N -0.671 120.538 121.223 -0.023 0.000 2.109 299 L HA -0.039 4.301 4.340 0.001 0.000 0.207 299 L C 2.069 178.907 176.870 -0.054 0.000 1.086 299 L CA 1.767 56.584 54.840 -0.039 0.000 0.760 299 L CB -0.481 41.548 42.059 -0.050 0.000 0.910 299 L HN 0.162 nan 8.230 nan 0.000 0.437 300 L N -0.446 120.749 121.223 -0.046 0.000 2.156 300 L HA -0.112 4.228 4.340 0.001 0.000 0.208 300 L C 2.509 179.368 176.870 -0.019 0.000 1.095 300 L CA 1.553 56.367 54.840 -0.044 0.000 0.770 300 L CB -0.851 41.191 42.059 -0.030 0.000 0.914 300 L HN 0.442 nan 8.230 nan 0.000 0.439 301 E N -0.032 120.162 120.200 -0.010 0.000 2.047 301 E HA -0.273 4.077 4.350 0.001 0.000 0.191 301 E C 2.219 178.822 176.600 0.005 0.000 0.987 301 E CA 1.103 57.504 56.400 0.001 0.000 0.799 301 E CB 0.023 29.724 29.700 0.002 0.000 0.752 301 E HN 0.356 nan 8.360 nan 0.000 0.449 302 K N 0.275 120.676 120.400 0.001 0.000 2.147 302 K HA -0.090 4.230 4.320 0.001 0.000 0.205 302 K C 1.727 178.340 176.600 0.021 0.000 1.049 302 K CA 0.940 57.233 56.287 0.011 0.000 0.936 302 K CB 0.033 32.540 32.500 0.012 0.000 0.722 302 K HN 0.222 nan 8.250 nan 0.000 0.446 303 L N 0.729 121.959 121.223 0.012 0.000 2.611 303 L HA 0.107 4.448 4.340 0.001 0.000 0.229 303 L C 0.090 177.015 176.870 0.091 0.000 1.137 303 L CA 0.033 54.904 54.840 0.050 0.000 0.901 303 L CB -0.120 41.906 42.059 -0.054 0.000 1.098 303 L HN 0.329 nan 8.230 nan 0.000 0.456 304 E N 1.749 121.979 120.200 0.050 0.000 2.287 304 E HA -0.224 4.126 4.350 0.001 0.000 0.229 304 E C -0.531 176.110 176.600 0.069 0.000 1.194 304 E CA 0.059 56.489 56.400 0.049 0.000 0.704 304 E CB -0.892 28.834 29.700 0.043 0.000 1.216 304 E HN 0.481 nan 8.360 nan 0.000 0.381 305 I N 2.218 122.819 120.570 0.052 0.000 2.464 305 I HA 0.219 4.390 4.170 0.001 0.000 0.277 305 I C 0.321 176.458 176.117 0.033 0.000 1.040 305 I CA -1.014 60.320 61.300 0.058 0.000 1.153 305 I CB 1.305 39.333 38.000 0.046 0.000 1.274 305 I HN 0.047 nan 8.210 nan 0.000 0.469 306 V N 5.262 125.197 119.914 0.035 0.000 2.383 306 V HA 0.522 4.643 4.120 0.001 0.000 0.275 306 V C 0.030 176.139 176.094 0.026 0.000 1.036 306 V CA -0.647 61.668 62.300 0.025 0.000 0.889 306 V CB 1.101 32.938 31.823 0.022 0.000 0.985 306 V HN 0.478 nan 8.190 nan 0.000 0.459 307 L N 4.552 125.787 121.223 0.020 0.000 2.395 307 L HA 0.497 4.837 4.340 0.001 0.000 0.269 307 L C 0.854 177.735 176.870 0.019 0.000 1.133 307 L CA -0.625 54.228 54.840 0.021 0.000 0.812 307 L CB 0.907 42.975 42.059 0.015 0.000 1.125 307 L HN 0.555 nan 8.230 nan 0.000 0.452 308 K N 2.615 123.028 120.400 0.020 0.000 3.001 308 K HA 0.214 4.534 4.320 0.001 0.000 0.257 308 K C 0.871 177.480 176.600 0.015 0.000 1.290 308 K CA 0.501 56.798 56.287 0.018 0.000 1.252 308 K CB -0.013 32.499 32.500 0.020 0.000 1.656 308 K HN 0.939 nan 8.250 nan 0.000 0.351 309 G N 2.036 110.844 108.800 0.014 0.000 4.610 309 G HA2 -0.473 3.487 3.960 0.001 0.000 0.323 309 G HA3 -0.473 3.487 3.960 0.001 0.000 0.323 309 G C 1.049 175.956 174.900 0.012 0.000 1.377 309 G CA 0.612 45.719 45.100 0.012 0.000 1.023 309 G HN 0.489 nan 8.290 nan 0.000 0.755 310 D N 1.859 122.267 120.400 0.013 0.000 2.311 310 D HA 0.017 4.658 4.640 0.001 0.000 0.212 310 D C 2.185 178.494 176.300 0.015 0.000 0.972 310 D CA 1.715 55.722 54.000 0.013 0.000 0.887 310 D CB -0.270 40.537 40.800 0.012 0.000 0.915 310 D HN 0.715 nan 8.370 nan 0.000 0.497 311 E N -0.745 119.465 120.200 0.016 0.000 2.489 311 E HA -0.003 4.347 4.350 0.001 0.000 0.193 311 E C 1.575 178.184 176.600 0.015 0.000 1.057 311 E CA 0.009 56.419 56.400 0.017 0.000 0.866 311 E CB 0.330 30.041 29.700 0.019 0.000 0.916 311 E HN 0.049 nan 8.360 nan 0.000 0.500 312 K N 1.422 121.830 120.400 0.015 0.000 2.356 312 K HA -0.067 4.253 4.320 0.001 0.000 0.195 312 K C 0.789 177.400 176.600 0.018 0.000 1.037 312 K CA 0.930 57.226 56.287 0.014 0.000 1.014 312 K CB 0.440 32.947 32.500 0.012 0.000 0.815 312 K HN 0.173 nan 8.250 nan 0.000 0.507 313 D N -0.593 119.819 120.400 0.020 0.000 2.350 313 D HA -0.006 4.634 4.640 0.001 0.000 0.213 313 D C 0.653 176.974 176.300 0.035 0.000 1.031 313 D CA -0.096 53.918 54.000 0.024 0.000 0.861 313 D CB -0.088 40.723 40.800 0.018 0.000 0.926 313 D HN -0.002 nan 8.370 nan 0.000 0.520 314 L N 0.984 122.226 121.223 0.033 0.000 2.456 314 L HA 0.264 4.604 4.340 0.001 0.000 0.272 314 L C 0.520 177.429 176.870 0.065 0.000 1.189 314 L CA 0.432 55.297 54.840 0.041 0.000 0.846 314 L CB 0.544 42.619 42.059 0.025 0.000 1.111 314 L HN 0.096 nan 8.230 nan 0.000 0.475 315 E N 0.913 121.180 120.200 0.111 0.000 2.416 315 E HA 0.619 4.969 4.350 0.001 0.000 0.273 315 E C 0.048 176.767 176.600 0.199 0.000 0.935 315 E CA -0.390 56.134 56.400 0.208 0.000 0.784 315 E CB 2.090 32.042 29.700 0.419 0.000 1.301 315 E HN 0.719 nan 8.360 nan 0.000 0.454 316 G N 1.324 110.136 108.800 0.020 0.000 2.569 316 G HA2 -0.361 3.599 3.960 0.001 0.000 0.259 316 G HA3 -0.361 3.599 3.960 0.001 0.000 0.259 316 G C 0.404 175.236 174.900 -0.112 0.000 1.263 316 G CA 0.326 45.346 45.100 -0.133 0.000 0.928 316 G HN 0.552 nan 8.290 nan 0.000 0.572 317 K N 0.686 121.051 120.400 -0.059 0.000 2.442 317 K HA 0.125 4.446 4.320 0.001 0.000 0.198 317 K C 2.784 179.357 176.600 -0.046 0.000 1.044 317 K CA 1.335 57.587 56.287 -0.058 0.000 0.948 317 K CB -0.244 32.239 32.500 -0.028 0.000 0.762 317 K HN 0.671 nan 8.250 nan 0.000 0.472 318 A N 0.881 123.692 122.820 -0.015 0.000 2.016 318 A HA -0.081 4.240 4.320 0.001 0.000 0.217 318 A C 1.968 179.546 177.584 -0.009 0.000 1.162 318 A CA 0.840 52.875 52.037 -0.003 0.000 0.662 318 A CB -0.116 18.898 19.000 0.024 0.000 0.812 318 A HN 0.232 nan 8.150 nan 0.000 0.450 319 L N -1.351 119.856 121.223 -0.026 0.000 2.202 319 L HA 0.185 4.525 4.340 0.001 0.000 0.205 319 L C 2.009 178.838 176.870 -0.069 0.000 1.083 319 L CA 1.246 56.065 54.840 -0.035 0.000 0.790 319 L CB -0.448 41.589 42.059 -0.037 0.000 0.942 319 L HN 0.251 nan 8.230 nan 0.000 0.452 320 L N -0.090 121.057 121.223 -0.127 0.000 2.093 320 L HA -0.141 4.199 4.340 0.001 0.000 0.208 320 L C 2.288 179.109 176.870 -0.080 0.000 1.085 320 L CA 1.755 56.468 54.840 -0.212 0.000 0.755 320 L CB -0.695 41.118 42.059 -0.410 0.000 0.904 320 L HN 0.231 nan 8.230 nan 0.000 0.435 321 K N -1.509 118.897 120.400 0.009 0.000 2.362 321 K HA -0.042 4.278 4.320 0.001 0.000 0.200 321 K C 1.768 178.427 176.600 0.098 0.000 1.046 321 K CA 0.992 57.338 56.287 0.099 0.000 0.952 321 K CB 0.073 32.581 32.500 0.013 0.000 0.753 321 K HN 0.268 nan 8.250 nan 0.000 0.466 322 V N -0.055 119.888 119.914 0.049 0.000 2.575 322 V HA -0.113 4.007 4.120 0.001 0.000 0.242 322 V C 2.002 178.137 176.094 0.068 0.000 1.045 322 V CA 0.830 63.164 62.300 0.057 0.000 1.065 322 V CB 0.259 32.102 31.823 0.033 0.000 0.717 322 V HN -0.017 nan 8.190 nan 0.000 0.467 323 V N -0.097 119.837 119.914 0.033 0.000 2.490 323 V HA -0.231 3.889 4.120 0.001 0.000 0.250 323 V C 2.427 178.588 176.094 0.111 0.000 1.061 323 V CA 1.577 63.898 62.300 0.035 0.000 1.064 323 V CB -0.546 31.251 31.823 -0.043 0.000 0.670 323 V HN 0.415 nan 8.190 nan 0.000 0.461 324 M N -0.830 118.844 119.600 0.124 0.000 2.419 324 M HA -0.000 4.480 4.480 0.001 0.000 0.264 324 M C 2.248 178.742 176.300 0.323 0.000 1.082 324 M CA 1.266 56.704 55.300 0.229 0.000 1.119 324 M CB -0.905 31.780 32.600 0.141 0.000 1.398 324 M HN 0.311 nan 8.290 nan 0.000 0.453 325 R N 0.313 120.962 120.500 0.248 0.000 2.073 325 R HA -0.083 4.257 4.340 0.001 0.000 0.229 325 R C 2.099 178.501 176.300 0.170 0.000 1.120 325 R CA 1.116 57.344 56.100 0.214 0.000 0.967 325 R CB -0.049 30.346 30.300 0.157 0.000 0.862 325 R HN 0.377 nan 8.270 nan 0.000 0.436 326 K N -0.435 120.060 120.400 0.159 0.000 2.186 326 K HA -0.048 4.272 4.320 0.001 0.000 0.202 326 K C 1.776 178.473 176.600 0.162 0.000 1.052 326 K CA 0.725 57.090 56.287 0.130 0.000 0.965 326 K CB -0.090 32.475 32.500 0.108 0.000 0.746 326 K HN 0.034 nan 8.250 nan 0.000 0.457 327 F N 1.322 121.305 119.950 0.056 0.000 2.113 327 F HA 0.023 4.551 4.527 0.001 0.000 0.297 327 F C 0.445 176.275 175.800 0.050 0.000 1.103 327 F CA 1.100 59.127 58.000 0.046 0.000 1.248 327 F CB 0.280 39.309 39.000 0.050 0.000 0.999 327 F HN -0.200 nan 8.300 nan 0.000 0.475 328 L N 1.552 122.758 121.223 -0.029 0.000 2.514 328 L HA 0.321 4.661 4.340 0.001 0.000 0.257 328 L C -2.587 174.375 176.870 0.155 0.000 1.101 328 L CA -1.956 52.842 54.840 -0.070 0.000 0.911 328 L CB 1.309 43.383 42.059 0.025 0.000 1.162 328 L HN -0.190 nan 8.230 nan 0.000 0.477 329 P HA -0.008 nan 4.420 nan 0.000 0.260 329 P C 0.783 178.144 177.300 0.102 0.000 1.207 329 P CA 0.245 63.405 63.100 0.100 0.000 0.780 329 P CB 1.211 32.938 31.700 0.045 0.000 0.789 330 A N 5.276 128.177 122.820 0.134 0.000 1.940 330 A HA -0.211 4.109 4.320 0.001 0.000 0.219 330 A C 2.142 179.740 177.584 0.023 0.000 1.176 330 A CA 2.147 54.229 52.037 0.076 0.000 0.631 330 A CB -1.346 17.684 19.000 0.050 0.000 0.814 330 A HN 0.489 nan 8.150 nan 0.000 0.446 331 A N 0.010 122.848 122.820 0.030 0.000 1.933 331 A HA -0.158 4.163 4.320 0.001 0.000 0.218 331 A C 1.705 179.288 177.584 -0.002 0.000 1.175 331 A CA 1.980 54.025 52.037 0.013 0.000 0.628 331 A CB -0.611 18.405 19.000 0.027 0.000 0.814 331 A HN 0.494 nan 8.150 nan 0.000 0.444 332 D N 0.056 120.456 120.400 0.001 0.000 2.117 332 D HA 0.047 4.687 4.640 0.001 0.000 0.198 332 D C 2.140 178.420 176.300 -0.034 0.000 0.982 332 D CA 1.425 55.414 54.000 -0.019 0.000 0.828 332 D CB -0.303 40.485 40.800 -0.021 0.000 0.967 332 D HN 0.420 nan 8.370 nan 0.000 0.464 333 A N 0.096 122.902 122.820 -0.025 0.000 2.019 333 A HA -0.064 4.256 4.320 0.001 0.000 0.219 333 A C 2.009 179.553 177.584 -0.068 0.000 1.164 333 A CA 0.848 52.863 52.037 -0.037 0.000 0.644 333 A CB -0.555 18.438 19.000 -0.012 0.000 0.805 333 A HN 0.228 nan 8.150 nan 0.000 0.449 334 L N -1.178 120.008 121.223 -0.062 0.000 2.509 334 L HA 0.132 4.472 4.340 0.001 0.000 0.222 334 L C 1.837 178.670 176.870 -0.061 0.000 1.123 334 L CA 0.201 54.998 54.840 -0.072 0.000 0.856 334 L CB -0.010 42.011 42.059 -0.062 0.000 0.985 334 L HN 0.318 nan 8.230 nan 0.000 0.456 335 L N -1.070 120.119 121.223 -0.057 0.000 2.554 335 L HA 0.030 4.370 4.340 0.001 0.000 0.225 335 L C 2.293 179.102 176.870 -0.102 0.000 1.104 335 L CA 0.250 55.050 54.840 -0.067 0.000 0.866 335 L CB 0.065 42.093 42.059 -0.052 0.000 1.047 335 L HN 0.247 nan 8.230 nan 0.000 0.468 336 E N 0.938 121.083 120.200 -0.092 0.000 2.008 336 E HA -0.185 4.166 4.350 0.001 0.000 0.191 336 E C 2.251 178.785 176.600 -0.110 0.000 0.986 336 E CA 1.108 57.442 56.400 -0.110 0.000 0.807 336 E CB 0.026 29.681 29.700 -0.075 0.000 0.766 336 E HN 0.353 nan 8.360 nan 0.000 0.450 337 M N 0.773 120.351 119.600 -0.036 0.000 2.149 337 M HA -0.204 4.276 4.480 0.001 0.000 0.261 337 M C 2.239 178.564 176.300 0.042 0.000 1.064 337 M CA 1.035 56.397 55.300 0.103 0.000 1.102 337 M CB -0.301 32.330 32.600 0.052 0.000 1.369 337 M HN 0.211 nan 8.290 nan 0.000 0.408 338 I N -0.141 120.400 120.570 -0.049 0.000 2.127 338 I HA -0.225 3.946 4.170 0.001 0.000 0.241 338 I C 2.455 178.490 176.117 -0.136 0.000 1.075 338 I CA 1.562 62.822 61.300 -0.067 0.000 1.334 338 I CB -1.397 36.561 38.000 -0.070 0.000 1.040 338 I HN 0.144 nan 8.210 nan 0.000 0.405 339 V N 0.960 120.718 119.914 -0.260 0.000 2.307 339 V HA -0.207 3.913 4.120 0.001 0.000 0.245 339 V C 2.612 178.435 176.094 -0.452 0.000 1.045 339 V CA 1.305 63.307 62.300 -0.498 0.000 1.024 339 V CB -0.521 30.819 31.823 -0.805 0.000 0.651 339 V HN 0.317 nan 8.190 nan 0.000 0.449 340 L N -0.967 120.009 121.223 -0.411 0.000 2.093 340 L HA -0.122 4.218 4.340 0.001 0.000 0.208 340 L C 2.484 179.041 176.870 -0.522 0.000 1.085 340 L CA 1.429 55.967 54.840 -0.505 0.000 0.755 340 L CB -0.647 41.023 42.059 -0.648 0.000 0.904 340 L HN 0.484 nan 8.230 nan 0.000 0.435 341 H N -0.938 118.070 119.070 -0.104 0.000 2.317 341 H HA 0.244 4.800 4.556 0.001 0.000 0.291 341 H C 0.888 176.190 175.328 -0.044 0.000 0.999 341 H CA -0.495 55.514 56.048 -0.064 0.000 1.336 341 H CB -0.166 29.557 29.762 -0.065 0.000 1.485 341 H HN 0.047 nan 8.280 nan 0.000 0.597 342 L N 5.363 126.637 121.223 0.085 0.000 2.706 342 L HA -0.045 4.295 4.340 0.001 0.000 0.282 342 L C -1.834 175.062 176.870 0.042 0.000 1.219 342 L CA -0.960 53.909 54.840 0.048 0.000 0.935 342 L CB -0.156 41.915 42.059 0.020 0.000 1.204 342 L HN 0.087 nan 8.230 nan 0.000 0.491 343 P HA 0.044 nan 4.420 nan 0.000 0.272 343 P C -0.503 176.832 177.300 0.059 0.000 1.254 343 P CA -0.416 62.729 63.100 0.076 0.000 0.795 343 P CB 0.771 32.542 31.700 0.119 0.000 1.022 344 S N -1.221 114.512 115.700 0.055 0.000 2.747 344 S HA 0.469 4.939 4.470 0.001 0.000 0.300 344 S C -2.082 172.522 174.600 0.008 0.000 1.121 344 S CA -1.627 56.597 58.200 0.039 0.000 0.995 344 S CB 0.796 64.026 63.200 0.050 0.000 1.113 344 S HN 0.155 nan 8.310 nan 0.000 0.547 345 P HA -0.003 nan 4.420 nan 0.000 0.229 345 P C 0.968 178.246 177.300 -0.038 0.000 1.150 345 P CA 0.497 63.570 63.100 -0.045 0.000 0.765 345 P CB -0.108 31.548 31.700 -0.074 0.000 0.783 346 V N -1.925 117.978 119.914 -0.018 0.000 2.825 346 V HA -0.083 4.037 4.120 0.001 0.000 0.246 346 V C 2.157 178.246 176.094 -0.008 0.000 1.068 346 V CA 1.850 64.143 62.300 -0.012 0.000 1.088 346 V CB -1.311 30.512 31.823 -0.001 0.000 0.733 346 V HN 0.137 nan 8.190 nan 0.000 0.468 347 T N 0.838 115.397 114.554 0.008 0.000 2.735 347 T HA -0.004 4.346 4.350 0.001 0.000 0.256 347 T C 2.160 176.828 174.700 -0.053 0.000 1.042 347 T CA 1.564 63.694 62.100 0.051 0.000 1.147 347 T CB -0.395 68.540 68.868 0.111 0.000 0.865 347 T HN 0.482 nan 8.240 nan 0.000 0.421 348 A N 1.713 124.431 122.820 -0.170 0.000 1.858 348 A HA -0.178 4.142 4.320 0.001 0.000 0.216 348 A C 2.235 179.374 177.584 -0.741 0.000 1.190 348 A CA 1.586 53.240 52.037 -0.638 0.000 0.617 348 A CB -0.871 17.974 19.000 -0.258 0.000 0.827 348 A HN 0.562 nan 8.150 nan 0.000 0.443 349 Q N -0.638 118.990 119.800 -0.286 0.000 2.368 349 Q HA -0.115 4.226 4.340 0.001 0.000 0.210 349 Q C 2.200 178.101 176.000 -0.166 0.000 0.982 349 Q CA 0.932 56.645 55.803 -0.150 0.000 0.884 349 Q CB -0.398 28.348 28.738 0.013 0.000 0.933 349 Q HN 0.723 nan 8.270 nan 0.000 0.460 350 A N 0.695 123.404 122.820 -0.186 0.000 1.929 350 A HA -0.165 4.156 4.320 0.001 0.000 0.216 350 A C 1.624 179.201 177.584 -0.012 0.000 1.176 350 A CA 1.266 53.267 52.037 -0.060 0.000 0.628 350 A CB -0.410 18.604 19.000 0.023 0.000 0.816 350 A HN 0.615 nan 8.150 nan 0.000 0.444 351 Y N -3.541 116.766 120.300 0.012 0.000 2.445 351 Y HA 0.506 5.056 4.550 0.001 0.000 0.247 351 Y C 1.589 177.490 175.900 0.001 0.000 1.129 351 Y CA 0.097 58.200 58.100 0.005 0.000 1.251 351 Y CB 0.024 38.488 38.460 0.007 0.000 1.176 351 Y HN 0.090 nan 8.280 nan 0.000 0.522 352 R N 0.532 120.866 120.500 -0.276 0.000 2.432 352 R HA 0.455 4.796 4.340 0.001 0.000 0.260 352 R C 1.640 177.868 176.300 -0.120 0.000 0.935 352 R CA 0.628 56.638 56.100 -0.150 0.000 1.080 352 R CB 0.141 30.281 30.300 -0.268 0.000 1.155 352 R HN 0.401 nan 8.270 nan 0.000 0.531 353 A N 1.557 124.317 122.820 -0.102 0.000 1.854 353 A HA -0.173 4.148 4.320 0.001 0.000 0.214 353 A C 1.819 179.371 177.584 -0.054 0.000 1.192 353 A CA 1.366 53.344 52.037 -0.099 0.000 0.611 353 A CB -0.319 18.631 19.000 -0.084 0.000 0.832 353 A HN 0.576 nan 8.150 nan 0.000 0.442 354 E N -0.198 119.992 120.200 -0.017 0.000 2.118 354 E HA -0.321 4.029 4.350 0.001 0.000 0.195 354 E C 1.992 178.602 176.600 0.016 0.000 0.992 354 E CA 1.437 57.848 56.400 0.018 0.000 0.804 354 E CB -0.480 29.232 29.700 0.020 0.000 0.741 354 E HN 0.787 nan 8.360 nan 0.000 0.458 355 Q N 0.682 120.479 119.800 -0.005 0.000 2.369 355 Q HA -0.018 4.322 4.340 0.001 0.000 0.206 355 Q C 1.524 177.490 176.000 -0.056 0.000 0.963 355 Q CA 0.599 56.392 55.803 -0.018 0.000 0.894 355 Q CB 0.202 28.938 28.738 -0.004 0.000 0.965 355 Q HN 0.398 nan 8.270 nan 0.000 0.475 356 L N 0.343 121.512 121.223 -0.091 0.000 2.910 356 L HA 0.291 4.632 4.340 0.001 0.000 0.252 356 L C -0.823 176.001 176.870 -0.078 0.000 1.195 356 L CA -0.331 54.402 54.840 -0.178 0.000 1.003 356 L CB 0.516 42.341 42.059 -0.390 0.000 1.328 356 L HN 0.123 nan 8.230 nan 0.000 0.540 357 Y N 0.672 120.890 120.300 -0.138 0.000 2.327 357 Y HA 0.258 4.808 4.550 0.001 0.000 0.325 357 Y C 0.364 176.222 175.900 -0.070 0.000 0.999 357 Y CA -0.832 57.215 58.100 -0.089 0.000 1.195 357 Y CB 1.199 39.608 38.460 -0.084 0.000 1.132 357 Y HN 0.069 nan 8.280 nan 0.000 0.455 358 E N 4.346 124.280 120.200 -0.445 0.000 2.545 358 E HA 0.290 4.640 4.350 0.001 0.000 0.271 358 E C 0.228 176.475 176.600 -0.588 0.000 1.508 358 E CA -0.073 56.117 56.400 -0.350 0.000 1.774 358 E CB 0.088 29.676 29.700 -0.187 0.000 1.460 358 E HN 0.804 nan 8.360 nan 0.000 0.449 359 G N 1.024 109.400 108.800 -0.705 0.000 2.975 359 G HA2 0.374 4.334 3.960 0.001 0.000 0.291 359 G HA3 0.374 4.334 3.960 0.001 0.000 0.291 359 G C -2.832 171.984 174.900 -0.140 0.000 1.334 359 G CA -1.238 43.387 45.100 -0.793 0.000 0.843 359 G HN -0.097 nan 8.290 nan 0.000 0.548 360 P HA 0.264 nan 4.420 nan 0.000 0.263 360 P C 0.644 178.000 177.300 0.093 0.000 1.195 360 P CA 0.436 63.560 63.100 0.041 0.000 0.762 360 P CB 1.216 32.957 31.700 0.068 0.000 0.799 361 A N 3.449 126.297 122.820 0.047 0.000 2.172 361 A HA -0.147 4.174 4.320 0.001 0.000 0.216 361 A C 1.122 178.704 177.584 -0.004 0.000 1.154 361 A CA 1.553 53.608 52.037 0.030 0.000 0.701 361 A CB -0.749 18.262 19.000 0.018 0.000 0.789 361 A HN 0.609 nan 8.150 nan 0.000 0.465 362 D N -1.509 118.892 120.400 0.002 0.000 2.431 362 D HA 0.136 4.776 4.640 0.001 0.000 0.213 362 D C 0.009 176.301 176.300 -0.014 0.000 1.130 362 D CA -0.396 53.598 54.000 -0.010 0.000 0.834 362 D CB -0.389 40.412 40.800 0.001 0.000 0.985 362 D HN 0.181 nan 8.370 nan 0.000 0.504 363 D N 0.333 120.727 120.400 -0.010 0.000 2.419 363 D HA 0.229 4.869 4.640 0.001 0.000 0.236 363 D C 1.523 177.789 176.300 -0.057 0.000 1.165 363 D CA 0.436 54.437 54.000 0.003 0.000 0.882 363 D CB 1.265 42.110 40.800 0.075 0.000 1.201 363 D HN 0.072 nan 8.370 nan 0.000 0.443 364 A N 3.438 126.245 122.820 -0.021 0.000 2.024 364 A HA -0.248 4.073 4.320 0.001 0.000 0.220 364 A C 1.749 179.290 177.584 -0.072 0.000 1.164 364 A CA 1.589 53.607 52.037 -0.032 0.000 0.643 364 A CB -0.436 18.562 19.000 -0.003 0.000 0.806 364 A HN 0.654 nan 8.150 nan 0.000 0.451 365 N N -1.067 117.560 118.700 -0.122 0.000 2.278 365 N HA -0.073 4.668 4.740 0.001 0.000 0.181 365 N C 1.616 176.911 175.510 -0.357 0.000 1.023 365 N CA 1.183 54.118 53.050 -0.192 0.000 0.862 365 N CB -0.976 37.425 38.487 -0.143 0.000 1.003 365 N HN 0.504 nan 8.380 nan 0.000 0.431 366 C N 0.834 119.774 119.300 -0.601 0.000 2.410 366 C HA 0.068 4.529 4.460 0.001 0.000 0.281 366 C C 2.327 177.167 174.990 -0.249 0.000 1.318 366 C CA 0.446 59.120 59.018 -0.573 0.000 1.776 366 C CB -1.268 26.150 27.740 -0.536 0.000 1.942 366 C HN 0.367 nan 8.230 nan 0.000 0.508 367 I N 1.151 121.618 120.570 -0.172 0.000 2.353 367 I HA -0.059 4.111 4.170 0.001 0.000 0.248 367 I C 2.768 178.840 176.117 -0.074 0.000 1.119 367 I CA 1.319 62.563 61.300 -0.094 0.000 1.417 367 I CB -0.584 37.378 38.000 -0.064 0.000 1.078 367 I HN 0.328 nan 8.210 nan 0.000 0.421 368 A N 1.031 123.802 122.820 -0.082 0.000 2.121 368 A HA -0.089 4.231 4.320 0.001 0.000 0.218 368 A C 2.161 179.726 177.584 -0.032 0.000 1.154 368 A CA 1.049 53.057 52.037 -0.048 0.000 0.679 368 A CB -0.412 18.564 19.000 -0.040 0.000 0.795 368 A HN 0.302 nan 8.150 nan 0.000 0.458 369 I N -0.364 120.171 120.570 -0.057 0.000 2.339 369 I HA -0.108 4.062 4.170 0.001 0.000 0.245 369 I C 2.102 178.213 176.117 -0.011 0.000 1.096 369 I CA 1.190 62.482 61.300 -0.013 0.000 1.408 369 I CB -1.328 36.632 38.000 -0.068 0.000 1.092 369 I HN 0.303 nan 8.210 nan 0.000 0.423 370 K N 1.068 121.444 120.400 -0.041 0.000 2.103 370 K HA -0.152 4.168 4.320 0.001 0.000 0.207 370 K C 1.533 178.122 176.600 -0.020 0.000 1.048 370 K CA 1.380 57.647 56.287 -0.033 0.000 0.930 370 K CB -0.120 32.362 32.500 -0.030 0.000 0.716 370 K HN 0.317 nan 8.250 nan 0.000 0.444 371 N N 0.169 118.859 118.700 -0.018 0.000 2.412 371 N HA -0.057 4.683 4.740 0.001 0.000 0.184 371 N C 0.471 175.975 175.510 -0.009 0.000 1.101 371 N CA 0.385 53.427 53.050 -0.012 0.000 0.881 371 N CB -0.071 38.407 38.487 -0.014 0.000 0.969 371 N HN 0.187 nan 8.380 nan 0.000 0.459 372 C N 1.954 121.252 119.300 -0.003 0.000 4.274 372 C HA -0.235 4.226 4.460 0.001 0.000 0.297 372 C C 0.063 175.049 174.990 -0.006 0.000 1.446 372 C CA -0.378 58.641 59.018 0.002 0.000 2.016 372 C CB -2.570 25.164 27.740 -0.011 0.000 1.273 372 C HN 0.447 nan 8.230 nan 0.000 0.782 373 D N 1.473 121.869 120.400 -0.007 0.000 2.389 373 D HA 0.157 4.798 4.640 0.001 0.000 0.263 373 D C -0.478 175.817 176.300 -0.008 0.000 1.255 373 D CA -1.389 52.605 54.000 -0.010 0.000 0.914 373 D CB 0.802 41.596 40.800 -0.011 0.000 1.116 373 D HN 0.468 nan 8.370 nan 0.000 0.502 374 P HA -0.013 nan 4.420 nan 0.000 0.256 374 P C 0.291 177.584 177.300 -0.012 0.000 1.335 374 P CA 0.223 63.314 63.100 -0.015 0.000 0.808 374 P CB 0.430 32.117 31.700 -0.022 0.000 1.305 375 K N -0.829 119.565 120.400 -0.010 0.000 2.403 375 K HA 0.250 4.570 4.320 0.001 0.000 0.199 375 K C 1.406 178.003 176.600 -0.005 0.000 1.199 375 K CA 0.176 56.458 56.287 -0.008 0.000 0.924 375 K CB -0.177 32.318 32.500 -0.009 0.000 1.137 375 K HN 0.048 nan 8.250 nan 0.000 0.510 376 A N 2.184 125.002 122.820 -0.004 0.000 2.307 376 A HA 0.052 4.373 4.320 0.001 0.000 0.271 376 A C -0.160 177.427 177.584 0.004 0.000 1.188 376 A CA -0.050 51.986 52.037 -0.002 0.000 0.810 376 A CB -0.186 18.810 19.000 -0.007 0.000 1.123 376 A HN 0.150 nan 8.150 nan 0.000 0.509 377 D N -0.423 119.982 120.400 0.008 0.000 2.449 377 D HA 0.201 4.841 4.640 0.001 0.000 0.236 377 D C 0.147 176.462 176.300 0.026 0.000 1.149 377 D CA 0.103 54.113 54.000 0.016 0.000 0.878 377 D CB 0.231 41.045 40.800 0.024 0.000 1.198 377 D HN 0.356 nan 8.370 nan 0.000 0.446 378 L N 2.596 123.835 121.223 0.026 0.000 2.540 378 L HA 0.009 4.350 4.340 0.001 0.000 0.276 378 L C -0.055 176.855 176.870 0.067 0.000 1.212 378 L CA 0.665 55.526 54.840 0.036 0.000 0.893 378 L CB 0.107 42.179 42.059 0.022 0.000 1.138 378 L HN 0.266 nan 8.230 nan 0.000 0.491 379 M N 7.513 127.171 119.600 0.097 0.000 2.720 379 M HA 0.263 4.743 4.480 0.001 0.000 0.250 379 M C -0.945 175.492 176.300 0.227 0.000 1.280 379 M CA -0.115 55.281 55.300 0.161 0.000 0.579 379 M CB 0.389 33.089 32.600 0.166 0.000 1.469 379 M HN 0.511 nan 8.290 nan 0.000 0.416 380 L N 1.432 122.757 121.223 0.169 0.000 2.260 380 L HA 0.367 4.708 4.340 0.001 0.000 0.289 380 L C -1.059 175.953 176.870 0.237 0.000 1.057 380 L CA -0.552 54.392 54.840 0.172 0.000 0.811 380 L CB 0.880 42.978 42.059 0.066 0.000 1.184 380 L HN 0.421 nan 8.230 nan 0.000 0.429 381 Y N 4.694 125.136 120.300 0.237 0.000 2.313 381 Y HA 0.407 4.958 4.550 0.001 0.000 0.332 381 Y C -0.513 175.475 175.900 0.148 0.000 1.071 381 Y CA -0.361 57.878 58.100 0.232 0.000 1.169 381 Y CB 1.323 40.019 38.460 0.394 0.000 1.192 381 Y HN 0.252 nan 8.280 nan 0.000 0.487 382 V N 6.910 126.602 119.914 -0.370 0.000 2.350 382 V HA 0.167 4.287 4.120 0.001 0.000 0.276 382 V C 0.207 176.150 176.094 -0.252 0.000 1.028 382 V CA 0.063 62.245 62.300 -0.197 0.000 0.860 382 V CB 1.033 32.787 31.823 -0.115 0.000 0.990 382 V HN 1.044 nan 8.190 nan 0.000 0.453 383 S N 3.847 119.619 115.700 0.119 0.000 2.384 383 S HA 0.146 4.616 4.470 0.001 0.000 0.217 383 S C 0.501 175.229 174.600 0.213 0.000 1.041 383 S CA 0.286 58.670 58.200 0.307 0.000 0.948 383 S CB 0.137 63.645 63.200 0.513 0.000 0.872 383 S HN 0.860 nan 8.310 nan 0.000 0.512 384 K N -0.012 120.524 120.400 0.228 0.000 2.512 384 K HA 0.544 4.864 4.320 0.001 0.000 0.263 384 K C -1.329 175.336 176.600 0.108 0.000 0.966 384 K CA -0.866 55.472 56.287 0.086 0.000 0.851 384 K CB 1.064 33.585 32.500 0.035 0.000 1.395 384 K HN -0.127 nan 8.250 nan 0.000 0.440 385 M N 2.505 122.113 119.600 0.014 0.000 2.157 385 M HA 0.288 4.768 4.480 0.001 0.000 0.354 385 M C -0.758 175.623 176.300 0.136 0.000 1.170 385 M CA -0.974 54.369 55.300 0.072 0.000 1.060 385 M CB 1.121 33.680 32.600 -0.069 0.000 1.615 385 M HN 0.609 nan 8.290 nan 0.000 0.460 386 V N 6.518 126.560 119.914 0.214 0.000 2.398 386 V HA 0.554 4.674 4.120 0.001 0.000 0.286 386 V C -2.367 173.805 176.094 0.130 0.000 1.026 386 V CA -2.123 60.270 62.300 0.154 0.000 0.868 386 V CB 2.035 33.902 31.823 0.072 0.000 0.982 386 V HN 0.600 nan 8.190 nan 0.000 0.443 387 P HA 0.221 nan 4.420 nan 0.000 0.267 387 P C -0.644 176.412 177.300 -0.406 0.000 1.200 387 P CA 0.384 63.276 63.100 -0.347 0.000 0.772 387 P CB 0.397 31.995 31.700 -0.170 0.000 0.855 388 T N -2.642 111.560 114.554 -0.587 0.000 2.906 388 T HA 0.361 4.711 4.350 0.001 0.000 0.295 388 T C 1.109 175.603 174.700 -0.343 0.000 1.061 388 T CA -0.250 61.553 62.100 -0.495 0.000 1.000 388 T CB 1.237 69.588 68.868 -0.861 0.000 1.103 388 T HN 0.256 nan 8.240 nan 0.000 0.486 389 S N 0.340 115.917 115.700 -0.205 0.000 2.423 389 S HA -0.072 4.399 4.470 0.001 0.000 0.231 389 S C 0.742 175.272 174.600 -0.116 0.000 1.014 389 S CA 0.818 58.941 58.200 -0.129 0.000 0.965 389 S CB -0.769 62.396 63.200 -0.057 0.000 0.785 389 S HN 0.867 nan 8.310 nan 0.000 0.495 390 D N 2.350 122.679 120.400 -0.117 0.000 2.385 390 D HA 0.293 4.933 4.640 0.001 0.000 0.260 390 D C 0.315 176.546 176.300 -0.116 0.000 1.326 390 D CA 0.279 54.236 54.000 -0.070 0.000 1.023 390 D CB -0.360 40.445 40.800 0.009 0.000 1.083 390 D HN 0.288 nan 8.370 nan 0.000 0.517 391 K N 1.794 122.138 120.400 -0.094 0.000 1.682 391 K HA -0.184 4.136 4.320 0.001 0.000 0.585 391 K C 0.796 177.292 176.600 -0.173 0.000 1.828 391 K CA 1.518 57.745 56.287 -0.099 0.000 0.967 391 K CB -1.229 31.230 32.500 -0.067 0.000 1.624 391 K HN 0.415 nan 8.250 nan 0.000 0.656 392 G N 1.073 109.778 108.800 -0.158 0.000 3.379 392 G HA2 0.097 4.057 3.960 0.001 0.000 0.253 392 G HA3 0.097 4.057 3.960 0.001 0.000 0.253 392 G C -0.118 174.560 174.900 -0.370 0.000 1.262 392 G CA -0.116 44.843 45.100 -0.236 0.000 0.959 392 G HN 0.275 nan 8.290 nan 0.000 0.524 393 R N -0.256 120.033 120.500 -0.352 0.000 2.615 393 R HA 0.443 4.784 4.340 0.001 0.000 0.270 393 R C -0.949 174.979 176.300 -0.620 0.000 1.081 393 R CA -0.112 55.821 56.100 -0.280 0.000 1.154 393 R CB 0.446 30.664 30.300 -0.137 0.000 1.063 393 R HN 0.138 nan 8.270 nan 0.000 0.519 394 F N 0.306 120.164 119.950 -0.152 0.000 2.551 394 F HA 0.350 4.877 4.527 0.001 0.000 0.316 394 F C -0.429 175.379 175.800 0.012 0.000 1.089 394 F CA -0.983 56.921 58.000 -0.159 0.000 0.915 394 F CB 1.279 40.236 39.000 -0.071 0.000 1.186 394 F HN 0.200 nan 8.300 nan 0.000 0.456 395 Y N 1.295 121.705 120.300 0.183 0.000 2.360 395 Y HA 0.620 5.170 4.550 0.001 0.000 0.337 395 Y C 0.262 176.256 175.900 0.157 0.000 1.039 395 Y CA -2.330 55.852 58.100 0.137 0.000 1.109 395 Y CB 1.169 39.690 38.460 0.101 0.000 1.201 395 Y HN 0.648 nan 8.280 nan 0.000 0.458 396 A N 4.607 127.601 122.820 0.291 0.000 2.396 396 A HA 0.330 4.650 4.320 0.001 0.000 0.279 396 A C -0.880 176.832 177.584 0.214 0.000 1.165 396 A CA -0.236 51.921 52.037 0.201 0.000 0.824 396 A CB -0.721 18.352 19.000 0.120 0.000 1.100 396 A HN 0.616 nan 8.150 nan 0.000 0.516 397 F N 3.486 123.492 119.950 0.092 0.000 2.410 397 F HA 0.627 5.155 4.527 0.001 0.000 0.349 397 F C 0.565 176.418 175.800 0.088 0.000 1.117 397 F CA 0.725 58.775 58.000 0.085 0.000 1.104 397 F CB 1.018 40.066 39.000 0.081 0.000 1.122 397 F HN 0.762 nan 8.300 nan 0.000 0.483 398 G N 5.354 113.806 108.800 -0.580 0.000 2.554 398 G HA2 0.431 4.391 3.960 0.001 0.000 0.306 398 G HA3 0.431 4.391 3.960 0.001 0.000 0.306 398 G C -2.122 172.546 174.900 -0.386 0.000 1.320 398 G CA -1.214 43.698 45.100 -0.313 0.000 0.800 398 G HN 0.759 nan 8.290 nan 0.000 0.481 399 R N -0.177 120.233 120.500 -0.149 0.000 2.561 399 R HA 0.573 4.913 4.340 0.001 0.000 0.297 399 R C -1.089 175.038 176.300 -0.289 0.000 0.969 399 R CA -0.550 55.356 56.100 -0.324 0.000 0.879 399 R CB 2.056 32.037 30.300 -0.532 0.000 1.178 399 R HN 0.329 nan 8.270 nan 0.000 0.445 400 V N 6.582 126.332 119.914 -0.272 0.000 2.381 400 V HA 0.106 4.227 4.120 0.001 0.000 0.257 400 V C 0.454 176.425 176.094 -0.205 0.000 1.057 400 V CA 0.245 62.461 62.300 -0.141 0.000 1.013 400 V CB 0.207 31.971 31.823 -0.099 0.000 1.069 400 V HN 0.780 nan 8.190 nan 0.000 0.484 401 F N 2.767 122.724 119.950 0.011 0.000 2.743 401 F HA 0.494 5.022 4.527 0.001 0.000 0.297 401 F C 1.221 177.011 175.800 -0.016 0.000 1.131 401 F CA 0.812 58.809 58.000 -0.005 0.000 1.426 401 F CB 0.299 39.304 39.000 0.009 0.000 1.116 401 F HN 0.598 nan 8.300 nan 0.000 0.583 402 A N -1.218 121.681 122.820 0.132 0.000 2.597 402 A HA 0.600 4.920 4.320 0.001 0.000 0.292 402 A C 0.217 177.823 177.584 0.037 0.000 1.057 402 A CA -0.324 51.752 52.037 0.066 0.000 0.674 402 A CB 0.142 19.179 19.000 0.061 0.000 1.278 402 A HN 0.645 nan 8.150 nan 0.000 0.416 403 G N -0.168 108.641 108.800 0.015 0.000 2.641 403 G HA2 0.386 4.346 3.960 0.001 0.000 0.254 403 G HA3 0.386 4.346 3.960 0.001 0.000 0.254 403 G C 0.187 175.084 174.900 -0.005 0.000 1.315 403 G CA 0.664 45.767 45.100 0.005 0.000 0.907 403 G HN 2.821 nan 8.290 nan 0.000 0.572 404 T N -3.696 110.853 114.554 -0.009 0.000 2.916 404 T HA 0.645 4.995 4.350 0.001 0.000 0.298 404 T C -0.406 174.284 174.700 -0.017 0.000 1.031 404 T CA 0.082 62.171 62.100 -0.018 0.000 0.993 404 T CB 1.896 70.752 68.868 -0.021 0.000 1.045 404 T HN 2.002 nan 8.240 nan 0.000 0.454 405 V N 2.807 122.707 119.914 -0.024 0.000 2.481 405 V HA 0.687 4.807 4.120 0.001 0.000 0.286 405 V C -0.706 175.371 176.094 -0.027 0.000 1.042 405 V CA -0.319 61.967 62.300 -0.024 0.000 0.928 405 V CB 0.995 32.801 31.823 -0.029 0.000 0.986 405 V HN 0.979 nan 8.190 nan 0.000 0.462 406 K N 3.831 124.216 120.400 -0.025 0.000 2.435 406 K HA 0.518 4.838 4.320 0.001 0.000 0.251 406 K C -0.687 175.898 176.600 -0.025 0.000 0.954 406 K CA -0.679 55.593 56.287 -0.025 0.000 0.820 406 K CB 2.174 34.661 32.500 -0.021 0.000 1.292 406 K HN 0.596 nan 8.250 nan 0.000 0.436 407 S N 0.642 116.326 115.700 -0.026 0.000 2.488 407 S HA 0.292 4.762 4.470 0.001 0.000 0.278 407 S C 1.102 175.690 174.600 -0.020 0.000 1.259 407 S CA 0.755 58.939 58.200 -0.026 0.000 1.061 407 S CB 0.609 63.792 63.200 -0.028 0.000 0.910 407 S HN 0.962 nan 8.310 nan 0.000 0.491 408 G N 2.397 111.187 108.800 -0.017 0.000 2.258 408 G HA2 -0.271 3.690 3.960 0.001 0.000 0.233 408 G HA3 -0.271 3.690 3.960 0.001 0.000 0.233 408 G C 0.167 175.059 174.900 -0.014 0.000 1.006 408 G CA 0.165 45.258 45.100 -0.012 0.000 0.620 408 G HN 0.717 nan 8.290 nan 0.000 0.511 409 Q N 1.709 121.498 119.800 -0.017 0.000 2.315 409 Q HA 0.304 4.645 4.340 0.001 0.000 0.289 409 Q C 0.698 176.685 176.000 -0.022 0.000 1.044 409 Q CA 0.546 56.338 55.803 -0.018 0.000 0.920 409 Q CB 0.268 28.995 28.738 -0.019 0.000 1.214 409 Q HN 0.653 nan 8.270 nan 0.000 0.392 410 K N 1.575 121.961 120.400 -0.024 0.000 2.172 410 K HA 0.507 4.828 4.320 0.001 0.000 0.276 410 K C -1.138 175.439 176.600 -0.039 0.000 1.013 410 K CA -0.755 55.512 56.287 -0.034 0.000 0.913 410 K CB 1.426 33.907 32.500 -0.032 0.000 1.055 410 K HN 0.296 nan 8.250 nan 0.000 0.461 411 V N 2.469 122.350 119.914 -0.055 0.000 2.962 411 V HA 0.374 4.494 4.120 0.001 0.000 0.313 411 V C -0.486 175.559 176.094 -0.083 0.000 1.099 411 V CA -1.246 61.020 62.300 -0.056 0.000 0.971 411 V CB 2.005 33.800 31.823 -0.045 0.000 1.028 411 V HN 0.766 nan 8.190 nan 0.000 0.430 412 R N 2.637 123.086 120.500 -0.084 0.000 2.248 412 R HA 0.478 4.819 4.340 0.001 0.000 0.337 412 R C -0.634 175.577 176.300 -0.148 0.000 1.106 412 R CA -0.177 55.847 56.100 -0.127 0.000 0.959 412 R CB 0.340 30.559 30.300 -0.136 0.000 1.075 412 R HN 0.564 nan 8.270 nan 0.000 0.480 413 I N 4.173 124.664 120.570 -0.132 0.000 2.372 413 I HA -0.020 4.150 4.170 0.001 0.000 0.298 413 I C 0.317 176.370 176.117 -0.107 0.000 1.137 413 I CA 0.280 61.533 61.300 -0.078 0.000 1.314 413 I CB 0.210 38.194 38.000 -0.027 0.000 1.444 413 I HN 0.377 nan 8.210 nan 0.000 0.541 414 Q N 5.076 124.754 119.800 -0.204 0.000 2.349 414 Q HA 0.373 4.714 4.340 0.001 0.000 0.254 414 Q C 0.635 176.606 176.000 -0.049 0.000 0.980 414 Q CA -0.463 55.130 55.803 -0.350 0.000 0.924 414 Q CB 1.785 30.196 28.738 -0.545 0.000 1.209 414 Q HN 0.778 nan 8.270 nan 0.000 0.445 415 G N 2.875 111.720 108.800 0.076 0.000 2.588 415 G HA2 0.137 4.097 3.960 0.001 0.000 0.278 415 G HA3 0.137 4.097 3.960 0.001 0.000 0.278 415 G C -1.812 173.185 174.900 0.162 0.000 1.307 415 G CA -1.059 44.132 45.100 0.151 0.000 1.016 415 G HN 0.371 nan 8.290 nan 0.000 0.503 416 P HA -0.087 nan 4.420 nan 0.000 0.214 416 P C 1.459 178.840 177.300 0.135 0.000 1.162 416 P CA 0.928 64.107 63.100 0.131 0.000 0.879 416 P CB 0.169 31.942 31.700 0.121 0.000 0.786 417 N N -1.879 116.903 118.700 0.137 0.000 2.571 417 N HA -0.082 4.658 4.740 0.001 0.000 0.189 417 N C 0.316 175.889 175.510 0.105 0.000 1.154 417 N CA 0.164 53.278 53.050 0.108 0.000 0.907 417 N CB -0.701 37.846 38.487 0.100 0.000 0.977 417 N HN 0.269 nan 8.380 nan 0.000 0.449 418 Y N 0.925 121.239 120.300 0.024 0.000 2.497 418 Y HA 0.202 4.752 4.550 0.001 0.000 0.334 418 Y C -0.190 175.700 175.900 -0.016 0.000 1.199 418 Y CA -0.066 58.031 58.100 -0.004 0.000 1.425 418 Y CB 0.650 39.107 38.460 -0.005 0.000 1.291 418 Y HN -0.297 nan 8.280 nan 0.000 0.562 419 V N 8.658 128.010 119.914 -0.936 0.000 2.623 419 V HA 0.216 4.336 4.120 0.001 0.000 0.304 419 V C -1.892 173.571 176.094 -1.053 0.000 1.054 419 V CA -1.634 60.225 62.300 -0.736 0.000 0.882 419 V CB 1.882 33.501 31.823 -0.340 0.000 1.002 419 V HN 0.687 nan 8.190 nan 0.000 0.424 420 P HA -0.164 nan 4.420 nan 0.000 0.218 420 P C 1.519 178.649 177.300 -0.283 0.000 1.146 420 P CA 1.773 64.636 63.100 -0.395 0.000 0.820 420 P CB 0.295 31.783 31.700 -0.353 0.000 0.778 421 G N -0.431 108.202 108.800 -0.279 0.000 2.414 421 G HA2 -0.130 3.831 3.960 0.001 0.000 0.215 421 G HA3 -0.130 3.831 3.960 0.001 0.000 0.215 421 G C 0.712 175.516 174.900 -0.159 0.000 1.188 421 G CA 0.573 45.571 45.100 -0.170 0.000 0.783 421 G HN 0.275 nan 8.290 nan 0.000 0.537 422 K N -0.130 120.142 120.400 -0.213 0.000 2.240 422 K HA 0.370 4.691 4.320 0.001 0.000 0.237 422 K C 0.261 176.772 176.600 -0.147 0.000 1.027 422 K CA -0.576 55.620 56.287 -0.151 0.000 0.937 422 K CB 0.966 33.391 32.500 -0.125 0.000 1.171 422 K HN 0.215 nan 8.250 nan 0.000 0.479 423 K N 0.401 120.763 120.400 -0.064 0.000 2.498 423 K HA 0.169 4.489 4.320 0.001 0.000 0.207 423 K C -0.870 175.731 176.600 0.000 0.000 1.033 423 K CA -0.297 55.991 56.287 0.002 0.000 1.138 423 K CB 0.244 32.736 32.500 -0.013 0.000 0.860 423 K HN 0.301 nan 8.250 nan 0.000 0.490 424 D N 2.318 122.709 120.400 -0.014 0.000 2.302 424 D HA 0.018 4.658 4.640 0.001 0.000 0.248 424 D C 0.096 176.443 176.300 0.079 0.000 1.094 424 D CA 0.310 54.310 54.000 0.000 0.000 0.897 424 D CB 0.763 41.560 40.800 -0.005 0.000 1.200 424 D HN 0.227 nan 8.370 nan 0.000 0.429 425 D N 0.601 121.001 120.400 0.001 0.000 2.689 425 D HA -0.205 4.435 4.640 0.001 0.000 0.237 425 D C -1.318 174.963 176.300 -0.031 0.000 1.148 425 D CA 0.366 54.389 54.000 0.040 0.000 0.656 425 D CB -0.851 40.052 40.800 0.171 0.000 1.050 425 D HN 0.208 nan 8.370 nan 0.000 0.426 426 L N 0.782 121.778 121.223 -0.379 0.000 2.408 426 L HA 0.741 5.082 4.340 0.001 0.000 0.268 426 L C -1.495 174.910 176.870 -0.774 0.000 0.986 426 L CA -0.672 53.932 54.840 -0.393 0.000 0.820 426 L CB 1.580 43.552 42.059 -0.145 0.000 1.303 426 L HN -0.024 nan 8.230 nan 0.000 0.411 427 F N 5.876 125.737 119.950 -0.148 0.000 2.659 427 F HA 0.482 5.009 4.527 0.001 0.000 0.342 427 F C -0.227 175.383 175.800 -0.316 0.000 1.168 427 F CA -0.480 57.379 58.000 -0.235 0.000 1.003 427 F CB 1.368 40.155 39.000 -0.356 0.000 1.267 427 F HN 0.214 nan 8.300 nan 0.000 0.463 428 I N 5.373 125.878 120.570 -0.109 0.000 2.256 428 I HA 0.239 4.410 4.170 0.001 0.000 0.294 428 I C 0.026 176.059 176.117 -0.139 0.000 1.127 428 I CA -0.252 60.976 61.300 -0.120 0.000 1.247 428 I CB -0.075 37.877 38.000 -0.081 0.000 1.460 428 I HN 0.464 nan 8.210 nan 0.000 0.511 429 K N 4.278 124.554 120.400 -0.207 0.000 2.270 429 K HA 0.861 5.181 4.320 0.001 0.000 0.248 429 K C -0.614 175.924 176.600 -0.103 0.000 1.076 429 K CA -0.988 55.186 56.287 -0.187 0.000 0.957 429 K CB 1.189 33.466 32.500 -0.371 0.000 1.400 429 K HN 0.380 nan 8.250 nan 0.000 0.573 430 A N 1.091 123.875 122.820 -0.059 0.000 2.343 430 A HA 0.496 4.817 4.320 0.001 0.000 0.308 430 A C -0.488 177.090 177.584 -0.010 0.000 1.092 430 A CA -0.706 51.314 52.037 -0.028 0.000 0.751 430 A CB 0.363 19.356 19.000 -0.011 0.000 1.203 430 A HN 0.468 nan 8.150 nan 0.000 0.452 431 I N 3.406 123.968 120.570 -0.015 0.000 2.680 431 I HA -0.067 4.104 4.170 0.001 0.000 0.286 431 I C 1.467 177.580 176.117 -0.006 0.000 1.144 431 I CA 0.746 62.041 61.300 -0.008 0.000 1.370 431 I CB -0.572 37.417 38.000 -0.019 0.000 1.420 431 I HN 0.861 nan 8.210 nan 0.000 0.540 432 Q N 4.169 123.972 119.800 0.006 0.000 2.096 432 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 432 Q C 0.618 176.603 176.000 -0.025 0.000 0.982 432 Q CA 1.446 57.250 55.803 0.001 0.000 0.850 432 Q CB 0.128 28.877 28.738 0.019 0.000 0.901 432 Q HN 0.480 nan 8.270 nan 0.000 0.422 433 R N -0.972 119.497 120.500 -0.052 0.000 2.629 433 R HA 0.350 4.690 4.340 0.001 0.000 0.266 433 R C -2.134 174.105 176.300 -0.103 0.000 1.051 433 R CA -0.317 55.736 56.100 -0.079 0.000 0.895 433 R CB 1.943 32.180 30.300 -0.105 0.000 1.246 433 R HN -0.138 nan 8.270 nan 0.000 0.459 434 V N 4.510 124.373 119.914 -0.085 0.000 2.384 434 V HA 0.649 4.770 4.120 0.001 0.000 0.287 434 V C -0.400 175.644 176.094 -0.082 0.000 1.020 434 V CA -0.637 61.614 62.300 -0.081 0.000 0.850 434 V CB 1.471 33.261 31.823 -0.056 0.000 0.987 434 V HN 0.607 nan 8.190 nan 0.000 0.436 435 V N 3.327 123.186 119.914 -0.091 0.000 2.823 435 V HA 0.688 4.809 4.120 0.001 0.000 0.312 435 V C -0.529 175.559 176.094 -0.011 0.000 1.072 435 V CA -1.041 61.223 62.300 -0.061 0.000 0.937 435 V CB 1.958 33.720 31.823 -0.102 0.000 1.013 435 V HN 0.630 nan 8.190 nan 0.000 0.430 436 L N 3.925 125.159 121.223 0.018 0.000 2.349 436 L HA 0.437 4.778 4.340 0.001 0.000 0.275 436 L C 0.414 177.341 176.870 0.095 0.000 1.115 436 L CA -0.492 54.375 54.840 0.045 0.000 0.820 436 L CB 1.176 43.261 42.059 0.043 0.000 1.135 436 L HN 0.555 nan 8.230 nan 0.000 0.445 437 M N 4.752 124.429 119.600 0.129 0.000 3.237 437 M HA 0.144 4.624 4.480 0.001 0.000 0.266 437 M C -0.036 176.349 176.300 0.142 0.000 1.456 437 M CA 0.287 55.694 55.300 0.179 0.000 1.593 437 M CB 0.001 32.786 32.600 0.308 0.000 1.129 437 M HN 0.539 nan 8.290 nan 0.000 0.547 438 M N 1.320 121.002 119.600 0.136 0.000 3.435 438 M HA 0.207 4.687 4.480 0.001 0.000 0.205 438 M C 1.320 177.688 176.300 0.113 0.000 1.324 438 M CA 0.132 55.518 55.300 0.144 0.000 1.455 438 M CB -1.591 31.121 32.600 0.188 0.000 1.240 438 M HN 0.856 nan 8.290 nan 0.000 0.477 439 G N 1.962 110.795 108.800 0.056 0.000 2.889 439 G HA2 -0.369 3.592 3.960 0.001 0.000 0.308 439 G HA3 -0.369 3.592 3.960 0.001 0.000 0.308 439 G C 1.023 175.848 174.900 -0.125 0.000 1.248 439 G CA 0.559 45.643 45.100 -0.027 0.000 0.982 439 G HN 0.503 nan 8.290 nan 0.000 0.571 440 R N 0.238 120.548 120.500 -0.317 0.000 2.254 440 R HA 0.387 4.728 4.340 0.001 0.000 0.195 440 R C 0.196 176.116 176.300 -0.634 0.000 0.957 440 R CA 0.378 56.138 56.100 -0.568 0.000 1.024 440 R CB -0.022 29.759 30.300 -0.865 0.000 0.952 440 R HN 0.325 nan 8.270 nan 0.000 0.484 441 F N -0.171 119.802 119.950 0.038 0.000 2.575 441 F HA 0.393 4.921 4.527 0.001 0.000 0.330 441 F C -0.025 175.816 175.800 0.068 0.000 1.056 441 F CA -1.375 56.654 58.000 0.048 0.000 0.964 441 F CB 1.431 40.452 39.000 0.035 0.000 1.258 441 F HN -0.315 nan 8.300 nan 0.000 0.484 442 V N -0.992 119.087 119.914 0.275 0.000 2.680 442 V HA 0.815 4.936 4.120 0.001 0.000 0.309 442 V C -1.220 174.949 176.094 0.126 0.000 1.052 442 V CA -0.739 61.668 62.300 0.179 0.000 0.908 442 V CB 1.732 33.657 31.823 0.170 0.000 1.001 442 V HN 0.751 nan 8.190 nan 0.000 0.431 443 E N 4.522 124.772 120.200 0.084 0.000 2.235 443 E HA 0.599 4.949 4.350 0.001 0.000 0.252 443 E C -2.900 173.710 176.600 0.018 0.000 0.886 443 E CA -2.289 54.140 56.400 0.049 0.000 0.767 443 E CB 1.992 31.723 29.700 0.053 0.000 1.205 443 E HN 0.644 nan 8.360 nan 0.000 0.421 444 P HA 0.037 nan 4.420 nan 0.000 0.265 444 P C -0.862 176.427 177.300 -0.018 0.000 1.187 444 P CA 0.040 63.127 63.100 -0.021 0.000 0.766 444 P CB 0.398 32.086 31.700 -0.020 0.000 0.820 445 I N 2.072 122.626 120.570 -0.028 0.000 2.656 445 I HA 0.255 4.425 4.170 0.001 0.000 0.292 445 I C 0.471 176.570 176.117 -0.030 0.000 1.144 445 I CA -0.415 60.870 61.300 -0.026 0.000 1.038 445 I CB 1.964 39.949 38.000 -0.026 0.000 1.244 445 I HN 0.150 nan 8.210 nan 0.000 0.420 446 D N 3.245 123.629 120.400 -0.026 0.000 2.183 446 D HA 0.011 4.651 4.640 0.001 0.000 0.203 446 D C -0.196 176.088 176.300 -0.028 0.000 0.969 446 D CA 1.417 55.401 54.000 -0.026 0.000 0.842 446 D CB 0.119 40.906 40.800 -0.021 0.000 0.957 446 D HN 0.745 nan 8.370 nan 0.000 0.484 447 D N -1.583 118.799 120.400 -0.029 0.000 2.615 447 D HA 0.249 4.889 4.640 0.001 0.000 0.267 447 D C -1.212 175.066 176.300 -0.036 0.000 1.236 447 D CA -0.803 53.178 54.000 -0.031 0.000 0.839 447 D CB 1.632 42.416 40.800 -0.027 0.000 1.380 447 D HN -0.036 nan 8.370 nan 0.000 0.433 448 C N 1.738 121.014 119.300 -0.039 0.000 2.727 448 C HA 0.527 4.987 4.460 0.001 0.000 0.369 448 C C -2.707 172.253 174.990 -0.049 0.000 1.067 448 C CA -0.921 58.068 59.018 -0.048 0.000 1.273 448 C CB 0.813 28.519 27.740 -0.056 0.000 1.778 448 C HN 0.518 nan 8.230 nan 0.000 0.467 449 P HA 0.254 nan 4.420 nan 0.000 0.272 449 P C -0.195 177.069 177.300 -0.060 0.000 1.254 449 P CA 0.183 63.255 63.100 -0.047 0.000 0.795 449 P CB 0.601 32.274 31.700 -0.046 0.000 1.022 450 A N -0.205 122.583 122.820 -0.053 0.000 2.407 450 A HA 0.480 4.801 4.320 0.001 0.000 0.248 450 A C 1.321 178.848 177.584 -0.096 0.000 1.082 450 A CA 0.559 52.556 52.037 -0.068 0.000 0.785 450 A CB -1.137 17.843 19.000 -0.033 0.000 1.020 450 A HN 0.866 nan 8.150 nan 0.000 0.489 451 G N 1.054 109.758 108.800 -0.159 0.000 2.176 451 G HA2 -0.190 3.770 3.960 0.001 0.000 0.232 451 G HA3 -0.190 3.770 3.960 0.001 0.000 0.232 451 G C -0.032 174.760 174.900 -0.179 0.000 0.986 451 G CA 0.150 45.145 45.100 -0.175 0.000 0.643 451 G HN 0.853 nan 8.290 nan 0.000 0.522 452 N N -0.202 118.391 118.700 -0.178 0.000 2.370 452 N HA 0.608 5.348 4.740 0.001 0.000 0.303 452 N C -0.913 174.482 175.510 -0.191 0.000 1.103 452 N CA -0.726 52.236 53.050 -0.147 0.000 0.848 452 N CB 1.633 40.058 38.487 -0.103 0.000 1.235 452 N HN 0.006 nan 8.380 nan 0.000 0.496 453 I N 2.101 122.574 120.570 -0.162 0.000 2.371 453 I HA 0.277 4.447 4.170 0.001 0.000 0.290 453 I C -0.036 175.966 176.117 -0.192 0.000 1.028 453 I CA 0.034 61.198 61.300 -0.226 0.000 1.345 453 I CB 0.419 38.334 38.000 -0.142 0.000 1.407 453 I HN 0.433 nan 8.210 nan 0.000 0.501 454 I N 4.635 125.044 120.570 -0.269 0.000 3.095 454 I HA 0.799 4.970 4.170 0.001 0.000 0.310 454 I C -0.233 175.788 176.117 -0.160 0.000 1.196 454 I CA -0.292 60.914 61.300 -0.155 0.000 0.985 454 I CB 2.300 40.233 38.000 -0.112 0.000 1.250 454 I HN 0.507 nan 8.210 nan 0.000 0.446 455 G N 4.469 113.244 108.800 -0.042 0.000 2.453 455 G HA2 0.723 4.683 3.960 0.001 0.000 0.323 455 G HA3 0.723 4.683 3.960 0.001 0.000 0.323 455 G C -1.723 173.160 174.900 -0.028 0.000 1.198 455 G CA -0.597 44.516 45.100 0.022 0.000 0.959 455 G HN 0.580 nan 8.290 nan 0.000 0.482 456 L N 0.433 121.655 121.223 -0.002 0.000 2.370 456 L HA 0.616 4.956 4.340 0.001 0.000 0.266 456 L C -0.686 176.141 176.870 -0.071 0.000 1.002 456 L CA -1.207 53.608 54.840 -0.041 0.000 0.818 456 L CB 2.548 44.609 42.059 0.002 0.000 1.325 456 L HN 0.191 nan 8.230 nan 0.000 0.418 457 V N 0.994 120.823 119.914 -0.142 0.000 2.409 457 V HA 0.690 4.811 4.120 0.001 0.000 0.291 457 V C 0.531 176.645 176.094 0.033 0.000 1.020 457 V CA 0.023 62.233 62.300 -0.151 0.000 0.848 457 V CB 1.215 32.796 31.823 -0.403 0.000 0.990 457 V HN 1.029 nan 8.190 nan 0.000 0.430 458 G N 4.532 113.420 108.800 0.147 0.000 2.181 458 G HA2 -0.132 3.829 3.960 0.001 0.000 0.152 458 G HA3 -0.132 3.829 3.960 0.001 0.000 0.152 458 G C -0.242 174.790 174.900 0.219 0.000 1.026 458 G CA 0.042 45.235 45.100 0.155 0.000 0.699 458 G HN 0.654 nan 8.290 nan 0.000 0.497 459 I N 0.530 121.229 120.570 0.214 0.000 4.338 459 I HA 0.200 4.370 4.170 0.001 0.000 0.329 459 I C 1.680 177.887 176.117 0.151 0.000 1.378 459 I CA 0.529 61.993 61.300 0.273 0.000 1.170 459 I CB 0.636 38.745 38.000 0.182 0.000 1.206 459 I HN 0.126 nan 8.210 nan 0.000 0.432 460 D N 1.386 121.851 120.400 0.108 0.000 2.384 460 D HA -0.218 4.423 4.640 0.001 0.000 0.222 460 D C 1.421 177.658 176.300 -0.104 0.000 0.976 460 D CA 0.844 54.879 54.000 0.058 0.000 0.915 460 D CB -0.207 40.718 40.800 0.209 0.000 0.896 460 D HN 0.523 nan 8.370 nan 0.000 0.523 461 Q N -0.942 118.681 119.800 -0.295 0.000 2.219 461 Q HA 0.117 4.458 4.340 0.001 0.000 0.209 461 Q C 0.308 175.756 176.000 -0.920 0.000 0.854 461 Q CA -0.136 55.319 55.803 -0.580 0.000 0.960 461 Q CB -0.265 28.058 28.738 -0.692 0.000 1.116 461 Q HN 0.284 nan 8.270 nan 0.000 0.500 462 F N 0.105 119.886 119.950 -0.282 0.000 2.784 462 F HA 0.388 4.915 4.527 0.001 0.000 0.316 462 F C 0.543 176.184 175.800 -0.265 0.000 1.026 462 F CA -0.154 57.548 58.000 -0.497 0.000 1.188 462 F CB 0.968 39.689 39.000 -0.465 0.000 0.999 462 F HN -0.136 nan 8.300 nan 0.000 0.605 463 L N 1.113 122.341 121.223 0.009 0.000 2.325 463 L HA 0.296 4.636 4.340 0.001 0.000 0.281 463 L C 0.803 177.640 176.870 -0.055 0.000 1.004 463 L CA -0.605 54.241 54.840 0.010 0.000 0.823 463 L CB 2.216 44.295 42.059 0.033 0.000 1.236 463 L HN 0.028 nan 8.230 nan 0.000 0.415 464 L N 4.154 125.347 121.223 -0.050 0.000 1.955 464 L HA -0.160 4.180 4.340 0.001 0.000 0.213 464 L C 1.658 178.439 176.870 -0.148 0.000 1.072 464 L CA 2.234 57.014 54.840 -0.100 0.000 0.755 464 L CB -0.161 41.872 42.059 -0.044 0.000 0.888 464 L HN 0.699 nan 8.230 nan 0.000 0.432 465 K N -3.321 117.021 120.400 -0.097 0.000 2.826 465 K HA 0.234 4.554 4.320 0.001 0.000 0.195 465 K C -0.090 176.476 176.600 -0.056 0.000 1.516 465 K CA 0.417 56.612 56.287 -0.154 0.000 1.213 465 K CB 0.862 33.153 32.500 -0.347 0.000 1.762 465 K HN 0.132 nan 8.250 nan 0.000 0.583 466 T N 0.756 115.336 114.554 0.043 0.000 2.856 466 T HA 0.676 5.026 4.350 0.001 0.000 0.283 466 T C -0.334 174.364 174.700 -0.002 0.000 1.008 466 T CA -0.645 61.485 62.100 0.050 0.000 0.997 466 T CB 1.959 70.960 68.868 0.222 0.000 0.992 466 T HN 0.357 nan 8.240 nan 0.000 0.454 467 G N 0.507 109.238 108.800 -0.115 0.000 2.559 467 G HA2 0.574 4.534 3.960 0.001 0.000 0.291 467 G HA3 0.574 4.534 3.960 0.001 0.000 0.291 467 G C -1.476 173.328 174.900 -0.159 0.000 1.424 467 G CA -0.643 44.410 45.100 -0.078 0.000 0.786 467 G HN 0.608 nan 8.290 nan 0.000 0.485 468 T N 1.079 115.595 114.554 -0.062 0.000 2.864 468 T HA 0.477 4.827 4.350 0.001 0.000 0.299 468 T C -0.705 173.988 174.700 -0.013 0.000 1.011 468 T CA -0.287 61.803 62.100 -0.018 0.000 0.975 468 T CB 1.063 69.967 68.868 0.060 0.000 0.962 468 T HN 0.288 nan 8.240 nan 0.000 0.448 469 L N 4.452 125.680 121.223 0.008 0.000 2.265 469 L HA 0.620 4.960 4.340 0.001 0.000 0.288 469 L C 1.009 177.893 176.870 0.023 0.000 1.058 469 L CA 0.085 54.922 54.840 -0.004 0.000 0.809 469 L CB 0.951 43.010 42.059 -0.001 0.000 1.179 469 L HN 0.815 nan 8.230 nan 0.000 0.429 470 T N -1.958 112.593 114.554 -0.005 0.000 2.838 470 T HA 0.587 4.937 4.350 0.001 0.000 0.292 470 T C 0.391 175.090 174.700 -0.002 0.000 1.113 470 T CA -0.374 61.739 62.100 0.021 0.000 1.008 470 T CB 1.744 70.639 68.868 0.045 0.000 1.259 470 T HN 0.348 nan 8.240 nan 0.000 0.520 471 T N 0.113 114.675 114.554 0.014 0.000 2.964 471 T HA 0.324 4.675 4.350 0.001 0.000 0.250 471 T C 0.880 175.587 174.700 0.012 0.000 0.982 471 T CA 0.067 62.169 62.100 0.003 0.000 0.959 471 T CB 0.270 69.140 68.868 0.005 0.000 1.141 471 T HN 0.696 nan 8.240 nan 0.000 0.494 472 S N 1.879 117.598 115.700 0.031 0.000 2.510 472 S HA 0.110 4.580 4.470 0.001 0.000 0.279 472 S C 1.054 175.681 174.600 0.045 0.000 1.284 472 S CA -0.267 57.957 58.200 0.041 0.000 1.059 472 S CB 0.974 64.211 63.200 0.061 0.000 0.901 472 S HN 0.435 nan 8.310 nan 0.000 0.491 473 E N 2.504 122.727 120.200 0.037 0.000 2.478 473 E HA -0.057 4.293 4.350 0.001 0.000 0.198 473 E C 0.817 177.452 176.600 0.059 0.000 1.046 473 E CA 1.015 57.441 56.400 0.044 0.000 0.870 473 E CB 0.116 29.833 29.700 0.028 0.000 0.818 473 E HN 0.785 nan 8.360 nan 0.000 0.527 474 T N -2.099 112.488 114.554 0.054 0.000 3.293 474 T HA 0.568 4.918 4.350 0.001 0.000 0.276 474 T C -0.027 174.710 174.700 0.062 0.000 1.003 474 T CA -0.345 61.777 62.100 0.035 0.000 0.916 474 T CB 0.925 69.817 68.868 0.039 0.000 1.134 474 T HN 0.118 nan 8.240 nan 0.000 0.530 475 A N 1.215 124.098 122.820 0.105 0.000 2.301 475 A HA 0.669 4.989 4.320 0.001 0.000 0.298 475 A C -0.206 177.467 177.584 0.148 0.000 1.185 475 A CA -0.557 51.600 52.037 0.201 0.000 0.830 475 A CB 0.236 19.353 19.000 0.195 0.000 1.112 475 A HN 0.657 nan 8.150 nan 0.000 0.508 476 H N 0.847 120.006 119.070 0.148 0.000 2.509 476 H HA 0.280 4.837 4.556 0.001 0.000 0.360 476 H C -0.045 175.264 175.328 -0.032 0.000 1.398 476 H CA 0.119 56.144 56.048 -0.038 0.000 1.429 476 H CB 0.445 30.001 29.762 -0.344 0.000 1.611 476 H HN 0.624 nan 8.280 nan 0.000 0.606 477 N N 1.135 119.891 118.700 0.094 0.000 2.426 477 N HA 0.133 4.873 4.740 0.001 0.000 0.257 477 N C -0.663 174.856 175.510 0.015 0.000 1.002 477 N CA -0.240 52.863 53.050 0.088 0.000 0.942 477 N CB 0.615 39.179 38.487 0.129 0.000 1.112 477 N HN 0.407 nan 8.380 nan 0.000 0.499 478 M N 2.160 121.821 119.600 0.103 0.000 2.356 478 M HA 0.022 4.503 4.480 0.001 0.000 0.348 478 M C 0.477 176.879 176.300 0.169 0.000 1.595 478 M CA 0.036 55.404 55.300 0.113 0.000 1.095 478 M CB 0.067 32.800 32.600 0.223 0.000 1.963 478 M HN 0.081 nan 8.290 nan 0.000 0.459 479 K N 2.151 122.569 120.400 0.030 0.000 4.863 479 K HA -0.140 4.181 4.320 0.001 0.000 0.277 479 K C -0.446 176.260 176.600 0.176 0.000 0.662 479 K CA 0.282 56.595 56.287 0.043 0.000 0.717 479 K CB -1.746 30.732 32.500 -0.036 0.000 2.144 479 K HN 0.715 nan 8.250 nan 0.000 0.366 480 V N -0.146 119.862 119.914 0.157 0.000 2.740 480 V HA 0.176 4.296 4.120 0.001 0.000 0.303 480 V C 0.840 177.008 176.094 0.122 0.000 1.054 480 V CA -0.392 62.013 62.300 0.175 0.000 1.106 480 V CB 0.665 32.557 31.823 0.114 0.000 0.957 480 V HN 0.406 nan 8.190 nan 0.000 0.486 481 M N 4.391 124.074 119.600 0.138 0.000 2.055 481 M HA 0.395 4.876 4.480 0.001 0.000 0.347 481 M C 0.085 176.241 176.300 -0.241 0.000 1.123 481 M CA -0.246 55.035 55.300 -0.032 0.000 1.035 481 M CB 0.856 33.492 32.600 0.061 0.000 1.484 481 M HN 0.619 nan 8.290 nan 0.000 0.428 482 K N 3.287 123.540 120.400 -0.246 0.000 2.366 482 K HA 0.110 4.430 4.320 0.001 0.000 0.279 482 K C -1.304 175.060 176.600 -0.394 0.000 1.098 482 K CA 0.686 56.854 56.287 -0.198 0.000 1.087 482 K CB -0.026 32.406 32.500 -0.112 0.000 0.901 482 K HN 0.365 nan 8.250 nan 0.000 0.463 483 F N 0.941 120.923 119.950 0.053 0.000 2.477 483 F HA 0.191 4.719 4.527 0.001 0.000 0.335 483 F C 0.485 176.305 175.800 0.033 0.000 1.130 483 F CA -0.641 57.379 58.000 0.034 0.000 0.948 483 F CB 2.050 41.065 39.000 0.024 0.000 1.154 483 F HN 0.241 nan 8.300 nan 0.000 0.439 484 S N 2.104 117.930 115.700 0.209 0.000 2.472 484 S HA 0.433 4.904 4.470 0.001 0.000 0.303 484 S C -0.120 174.511 174.600 0.051 0.000 1.099 484 S CA -0.463 57.822 58.200 0.142 0.000 1.077 484 S CB 1.640 64.962 63.200 0.203 0.000 1.031 484 S HN 0.535 nan 8.310 nan 0.000 0.487 485 V N 4.934 124.851 119.914 0.005 0.000 3.337 485 V HA 0.305 4.425 4.120 0.001 0.000 0.343 485 V C 0.037 176.065 176.094 -0.111 0.000 1.302 485 V CA 0.183 62.449 62.300 -0.057 0.000 1.268 485 V CB -0.449 31.345 31.823 -0.048 0.000 1.185 485 V HN 0.839 nan 8.190 nan 0.000 0.447 486 S N 3.587 119.173 115.700 -0.189 0.000 2.422 486 S HA 0.299 4.769 4.470 0.001 0.000 0.283 486 S C -2.297 172.133 174.600 -0.283 0.000 1.163 486 S CA -0.627 57.348 58.200 -0.375 0.000 1.054 486 S CB 1.010 63.599 63.200 -1.017 0.000 0.967 486 S HN 0.397 nan 8.310 nan 0.000 0.499 487 P HA 0.104 nan 4.420 nan 0.000 0.244 487 P C 0.603 177.863 177.300 -0.067 0.000 1.723 487 P CA 0.020 63.081 63.100 -0.065 0.000 1.110 487 P CB -0.104 31.599 31.700 0.005 0.000 1.972 488 V N 0.653 120.485 119.914 -0.135 0.000 2.591 488 V HA -0.068 4.052 4.120 0.001 0.000 0.249 488 V C 1.161 177.232 176.094 -0.038 0.000 1.053 488 V CA 1.182 63.387 62.300 -0.158 0.000 1.068 488 V CB -0.063 31.599 31.823 -0.268 0.000 0.689 488 V HN 0.122 nan 8.190 nan 0.000 0.462 489 V N 1.657 121.589 119.914 0.029 0.000 2.628 489 V HA 0.604 4.724 4.120 0.001 0.000 0.306 489 V C -0.415 175.751 176.094 0.120 0.000 1.045 489 V CA -0.557 61.802 62.300 0.098 0.000 0.905 489 V CB 1.539 33.432 31.823 0.116 0.000 0.997 489 V HN 0.641 nan 8.190 nan 0.000 0.436 490 Q N 2.960 122.844 119.800 0.140 0.000 2.590 490 Q HA 0.897 5.238 4.340 0.001 0.000 0.295 490 Q C -1.670 174.392 176.000 0.103 0.000 0.973 490 Q CA -0.915 54.961 55.803 0.121 0.000 0.768 490 Q CB 2.687 31.509 28.738 0.140 0.000 1.479 490 Q HN 0.725 nan 8.270 nan 0.000 0.419 491 V N -3.844 116.105 119.914 0.059 0.000 3.202 491 V HA 0.978 5.098 4.120 0.001 0.000 0.306 491 V C -1.199 174.892 176.094 -0.006 0.000 1.283 491 V CA -0.652 61.669 62.300 0.034 0.000 1.065 491 V CB 1.376 33.218 31.823 0.031 0.000 1.079 491 V HN 1.108 nan 8.190 nan 0.000 0.448 492 A N 0.826 123.639 122.820 -0.013 0.000 2.288 492 A HA 0.853 5.173 4.320 0.001 0.000 0.320 492 A C -0.617 176.957 177.584 -0.017 0.000 1.217 492 A CA -0.661 51.361 52.037 -0.025 0.000 0.840 492 A CB 1.247 20.229 19.000 -0.030 0.000 1.179 492 A HN 1.340 nan 8.150 nan 0.000 0.504 493 V N 2.946 122.854 119.914 -0.010 0.000 2.398 493 V HA 0.557 4.677 4.120 0.001 0.000 0.286 493 V C -0.209 175.886 176.094 0.001 0.000 1.026 493 V CA -0.412 61.880 62.300 -0.014 0.000 0.868 493 V CB 1.347 33.150 31.823 -0.035 0.000 0.982 493 V HN 0.922 nan 8.190 nan 0.000 0.443 494 E N 2.679 122.871 120.200 -0.013 0.000 2.308 494 E HA 0.408 4.759 4.350 0.001 0.000 0.275 494 E C -1.048 175.539 176.600 -0.022 0.000 0.890 494 E CA -0.551 55.845 56.400 -0.006 0.000 0.754 494 E CB 2.485 32.189 29.700 0.007 0.000 1.207 494 E HN 0.533 nan 8.360 nan 0.000 0.426 495 V N 1.807 121.706 119.914 -0.026 0.000 2.614 495 V HA 0.280 4.400 4.120 0.001 0.000 0.291 495 V C 1.392 177.477 176.094 -0.015 0.000 1.049 495 V CA -0.159 62.124 62.300 -0.028 0.000 1.038 495 V CB 1.327 33.130 31.823 -0.033 0.000 0.980 495 V HN 0.765 nan 8.190 nan 0.000 0.481 496 K N 2.920 123.312 120.400 -0.014 0.000 2.155 496 K HA 0.026 4.346 4.320 0.001 0.000 0.203 496 K C 0.521 177.118 176.600 -0.005 0.000 1.052 496 K CA 0.698 56.981 56.287 -0.008 0.000 0.948 496 K CB 0.149 32.646 32.500 -0.006 0.000 0.728 496 K HN 0.815 nan 8.250 nan 0.000 0.448 497 N N 0.605 119.300 118.700 -0.007 0.000 2.437 497 N HA 0.119 4.860 4.740 0.001 0.000 0.259 497 N C 0.026 175.533 175.510 -0.006 0.000 0.983 497 N CA 0.084 53.131 53.050 -0.005 0.000 0.937 497 N CB 1.824 40.308 38.487 -0.005 0.000 1.122 497 N HN 0.147 nan 8.380 nan 0.000 0.499 498 A N 3.142 125.960 122.820 -0.003 0.000 1.933 498 A HA -0.210 4.111 4.320 0.001 0.000 0.218 498 A C 1.810 179.393 177.584 -0.002 0.000 1.175 498 A CA 1.293 53.329 52.037 -0.001 0.000 0.628 498 A CB -0.314 18.687 19.000 0.002 0.000 0.814 498 A HN 0.768 nan 8.150 nan 0.000 0.444 499 N N 0.324 119.023 118.700 -0.002 0.000 2.309 499 N HA -0.123 4.617 4.740 0.001 0.000 0.182 499 N C -0.168 175.339 175.510 -0.005 0.000 1.018 499 N CA 1.398 54.447 53.050 -0.002 0.000 0.876 499 N CB -0.629 37.857 38.487 -0.001 0.000 0.972 499 N HN 0.327 nan 8.380 nan 0.000 0.434 500 D N 0.534 120.929 120.400 -0.009 0.000 2.413 500 D HA 0.080 4.721 4.640 0.001 0.000 0.237 500 D C 1.546 177.832 176.300 -0.023 0.000 1.171 500 D CA -0.189 53.803 54.000 -0.014 0.000 0.839 500 D CB 0.097 40.889 40.800 -0.013 0.000 0.950 500 D HN 0.276 nan 8.370 nan 0.000 0.499 501 L N 1.100 122.312 121.223 -0.020 0.000 1.994 501 L HA -0.063 4.278 4.340 0.001 0.000 0.208 501 L C -0.773 176.074 176.870 -0.038 0.000 1.071 501 L CA 1.423 56.246 54.840 -0.028 0.000 0.745 501 L CB -0.745 41.309 42.059 -0.008 0.000 0.892 501 L HN -0.017 nan 8.230 nan 0.000 0.431 502 P HA -0.167 nan 4.420 nan 0.000 0.219 502 P C 0.991 178.274 177.300 -0.028 0.000 1.146 502 P CA 1.422 64.512 63.100 -0.018 0.000 0.808 502 P CB -0.010 31.686 31.700 -0.006 0.000 0.779 503 K N -1.048 119.334 120.400 -0.030 0.000 2.155 503 K HA -0.077 4.243 4.320 0.001 0.000 0.203 503 K C 1.883 178.457 176.600 -0.044 0.000 1.052 503 K CA 0.770 57.041 56.287 -0.027 0.000 0.948 503 K CB -0.658 31.830 32.500 -0.020 0.000 0.728 503 K HN 0.094 nan 8.250 nan 0.000 0.448 504 L N 0.949 122.125 121.223 -0.078 0.000 2.044 504 L HA -0.107 4.233 4.340 0.001 0.000 0.205 504 L C 1.922 178.693 176.870 -0.164 0.000 1.075 504 L CA 1.426 56.190 54.840 -0.127 0.000 0.747 504 L CB -0.259 41.692 42.059 -0.181 0.000 0.903 504 L HN -0.137 nan 8.230 nan 0.000 0.435 505 V N -0.189 119.623 119.914 -0.170 0.000 2.568 505 V HA -0.247 3.873 4.120 0.001 0.000 0.253 505 V C 2.579 178.645 176.094 -0.046 0.000 1.072 505 V CA 1.782 64.008 62.300 -0.124 0.000 1.084 505 V CB -0.730 31.069 31.823 -0.040 0.000 0.676 505 V HN 0.520 nan 8.190 nan 0.000 0.469 506 E N 0.844 121.024 120.200 -0.035 0.000 2.122 506 E HA 0.004 4.354 4.350 0.001 0.000 0.190 506 E C 2.246 178.850 176.600 0.005 0.000 0.977 506 E CA 1.154 57.550 56.400 -0.007 0.000 0.820 506 E CB -0.546 29.154 29.700 -0.001 0.000 0.770 506 E HN 0.432 nan 8.360 nan 0.000 0.462 507 G N 0.771 109.570 108.800 -0.002 0.000 2.422 507 G HA2 -0.203 3.757 3.960 0.001 0.000 0.218 507 G HA3 -0.203 3.757 3.960 0.001 0.000 0.218 507 G C 1.534 176.408 174.900 -0.043 0.000 1.146 507 G CA 0.828 45.950 45.100 0.036 0.000 0.769 507 G HN 0.266 nan 8.290 nan 0.000 0.547 508 L N -0.057 121.123 121.223 -0.071 0.000 2.017 508 L HA -0.048 4.292 4.340 0.001 0.000 0.208 508 L C 2.945 179.782 176.870 -0.054 0.000 1.073 508 L CA 1.370 56.160 54.840 -0.082 0.000 0.745 508 L CB -0.335 41.695 42.059 -0.049 0.000 0.894 508 L HN 0.166 nan 8.230 nan 0.000 0.432 509 K N -0.271 120.120 120.400 -0.015 0.000 2.209 509 K HA -0.183 4.137 4.320 0.001 0.000 0.204 509 K C 2.210 178.813 176.600 0.005 0.000 1.048 509 K CA 0.964 57.254 56.287 0.005 0.000 0.940 509 K CB -0.144 32.366 32.500 0.017 0.000 0.729 509 K HN 0.188 nan 8.250 nan 0.000 0.451 510 R N 0.819 121.328 120.500 0.016 0.000 2.193 510 R HA -0.041 4.300 4.340 0.001 0.000 0.213 510 R C 2.043 178.377 176.300 0.057 0.000 1.055 510 R CA 0.441 56.591 56.100 0.083 0.000 0.995 510 R CB 0.075 30.483 30.300 0.181 0.000 0.893 510 R HN 0.085 nan 8.270 nan 0.000 0.459 511 L N -0.076 121.027 121.223 -0.200 0.000 2.162 511 L HA 0.099 4.440 4.340 0.001 0.000 0.205 511 L C 1.656 178.455 176.870 -0.117 0.000 1.086 511 L CA 1.623 56.198 54.840 -0.441 0.000 0.778 511 L CB -0.082 41.615 42.059 -0.604 0.000 0.928 511 L HN -0.042 nan 8.230 nan 0.000 0.446 512 S N -0.449 115.225 115.700 -0.044 0.000 2.474 512 S HA -0.074 4.396 4.470 0.001 0.000 0.235 512 S C 1.715 176.378 174.600 0.105 0.000 0.997 512 S CA 0.827 59.044 58.200 0.030 0.000 0.949 512 S CB -0.202 63.018 63.200 0.033 0.000 0.766 512 S HN 0.465 nan 8.310 nan 0.000 0.517 513 K N 1.149 121.604 120.400 0.092 0.000 2.356 513 K HA 0.094 4.414 4.320 0.001 0.000 0.195 513 K C 1.821 178.516 176.600 0.160 0.000 1.037 513 K CA 0.887 57.242 56.287 0.113 0.000 1.014 513 K CB 0.104 32.599 32.500 -0.009 0.000 0.815 513 K HN 0.398 nan 8.250 nan 0.000 0.507 514 S N 0.053 115.848 115.700 0.158 0.000 2.556 514 S HA 0.039 4.509 4.470 0.001 0.000 0.216 514 S C -0.046 174.676 174.600 0.204 0.000 0.970 514 S CA -0.190 58.114 58.200 0.173 0.000 0.912 514 S CB 0.245 63.561 63.200 0.192 0.000 0.790 514 S HN 0.045 nan 8.310 nan 0.000 0.504 515 D N 0.667 121.184 120.400 0.195 0.000 2.688 515 D HA 0.335 4.975 4.640 0.001 0.000 0.210 515 D C -2.822 173.489 176.300 0.018 0.000 1.333 515 D CA -1.499 52.555 54.000 0.091 0.000 0.920 515 D CB 2.042 42.883 40.800 0.069 0.000 1.554 515 D HN -0.193 nan 8.370 nan 0.000 0.579 516 P HA 0.086 nan 4.420 nan 0.000 0.230 516 P C 1.019 178.249 177.300 -0.116 0.000 1.158 516 P CA 0.443 63.394 63.100 -0.249 0.000 0.769 516 P CB 0.379 31.775 31.700 -0.507 0.000 0.807 517 C N -2.172 117.102 119.300 -0.045 0.000 2.558 517 C HA 0.193 4.654 4.460 0.001 0.000 0.288 517 C C 1.391 176.415 174.990 0.056 0.000 1.338 517 C CA -0.177 58.826 59.018 -0.026 0.000 1.760 517 C CB -0.353 27.338 27.740 -0.081 0.000 2.159 517 C HN 0.068 nan 8.230 nan 0.000 0.518 518 V N 2.622 122.628 119.914 0.155 0.000 2.740 518 V HA 0.375 4.496 4.120 0.001 0.000 0.303 518 V C -0.635 175.511 176.094 0.088 0.000 1.054 518 V CA 0.193 62.590 62.300 0.163 0.000 1.106 518 V CB 1.167 33.056 31.823 0.112 0.000 0.957 518 V HN 0.349 nan 8.190 nan 0.000 0.486 519 L N 6.537 127.823 121.223 0.105 0.000 2.376 519 L HA 0.687 5.027 4.340 0.001 0.000 0.275 519 L C -0.060 176.907 176.870 0.161 0.000 0.987 519 L CA 0.100 55.019 54.840 0.133 0.000 0.828 519 L CB 1.966 44.119 42.059 0.157 0.000 1.249 519 L HN 0.859 nan 8.230 nan 0.000 0.409 520 T N 2.180 116.815 114.554 0.136 0.000 2.842 520 T HA 0.671 5.021 4.350 0.001 0.000 0.308 520 T C -0.579 174.217 174.700 0.159 0.000 1.041 520 T CA -0.436 61.714 62.100 0.084 0.000 0.964 520 T CB 0.468 69.355 68.868 0.032 0.000 0.972 520 T HN 0.548 nan 8.240 nan 0.000 0.460 521 Y N 1.076 121.405 120.300 0.049 0.000 2.669 521 Y HA 0.849 5.399 4.550 0.001 0.000 0.335 521 Y C -0.961 174.948 175.900 0.015 0.000 1.116 521 Y CA -2.017 56.101 58.100 0.031 0.000 1.081 521 Y CB 1.611 40.073 38.460 0.004 0.000 1.297 521 Y HN 0.479 nan 8.280 nan 0.000 0.484 522 M N 2.459 122.144 119.600 0.141 0.000 2.436 522 M HA 0.513 4.993 4.480 0.001 0.000 0.331 522 M C -0.352 176.072 176.300 0.207 0.000 1.135 522 M CA -0.830 54.458 55.300 -0.020 0.000 0.987 522 M CB 2.335 34.853 32.600 -0.136 0.000 1.687 522 M HN 0.916 nan 8.290 nan 0.000 0.445 523 S N 0.611 116.388 115.700 0.128 0.000 2.694 523 S HA 0.329 4.799 4.470 0.001 0.000 0.278 523 S C 0.633 175.324 174.600 0.152 0.000 1.152 523 S CA -0.744 57.591 58.200 0.225 0.000 1.010 523 S CB 0.866 64.174 63.200 0.180 0.000 1.104 523 S HN 0.765 nan 8.310 nan 0.000 0.547 524 E N 0.568 120.831 120.200 0.106 0.000 2.274 524 E HA -0.076 4.274 4.350 0.001 0.000 0.194 524 E C 1.762 178.334 176.600 -0.047 0.000 0.996 524 E CA 1.037 57.396 56.400 -0.068 0.000 0.840 524 E CB -0.162 29.411 29.700 -0.211 0.000 0.772 524 E HN 0.762 nan 8.360 nan 0.000 0.491 525 S N -0.907 114.797 115.700 0.006 0.000 2.607 525 S HA 0.099 4.570 4.470 0.001 0.000 0.224 525 S C 1.639 176.233 174.600 -0.009 0.000 0.969 525 S CA 0.410 58.615 58.200 0.008 0.000 0.927 525 S CB 0.336 63.565 63.200 0.049 0.000 0.772 525 S HN 0.359 nan 8.310 nan 0.000 0.533 526 G N 0.875 109.659 108.800 -0.026 0.000 2.205 526 G HA2 -0.279 3.681 3.960 0.001 0.000 0.261 526 G HA3 -0.279 3.681 3.960 0.001 0.000 0.261 526 G C -0.208 174.613 174.900 -0.132 0.000 0.980 526 G CA 0.162 45.220 45.100 -0.069 0.000 0.632 526 G HN 0.629 nan 8.290 nan 0.000 0.533 527 E N 1.268 121.423 120.200 -0.074 0.000 2.384 527 E HA 0.265 4.615 4.350 0.001 0.000 0.266 527 E C 0.116 176.616 176.600 -0.167 0.000 1.012 527 E CA -0.250 56.111 56.400 -0.066 0.000 0.901 527 E CB 0.378 30.072 29.700 -0.010 0.000 0.967 527 E HN 0.495 nan 8.360 nan 0.000 0.435 528 H N 2.836 121.868 119.070 -0.063 0.000 2.580 528 H HA 0.209 4.766 4.556 0.001 0.000 0.322 528 H C -0.028 175.190 175.328 -0.184 0.000 1.082 528 H CA -0.129 55.852 56.048 -0.111 0.000 1.383 528 H CB 0.671 30.389 29.762 -0.074 0.000 1.450 528 H HN 0.255 nan 8.280 nan 0.000 0.505 529 I N 3.052 123.470 120.570 -0.253 0.000 2.740 529 I HA 0.257 4.428 4.170 0.001 0.000 0.303 529 I C 0.051 176.004 176.117 -0.274 0.000 1.044 529 I CA -0.933 60.144 61.300 -0.372 0.000 1.064 529 I CB 2.061 39.569 38.000 -0.819 0.000 1.249 529 I HN 0.212 nan 8.210 nan 0.000 0.433 530 V N 3.562 123.397 119.914 -0.131 0.000 2.488 530 V HA 0.711 4.831 4.120 0.001 0.000 0.293 530 V C 0.040 176.156 176.094 0.036 0.000 1.027 530 V CA -0.530 61.749 62.300 -0.035 0.000 0.862 530 V CB 1.600 33.407 31.823 -0.026 0.000 1.008 530 V HN 0.938 nan 8.190 nan 0.000 0.428 531 A N 3.531 126.410 122.820 0.099 0.000 2.330 531 A HA 1.045 5.365 4.320 0.001 0.000 0.329 531 A C 0.265 177.935 177.584 0.144 0.000 1.135 531 A CA 0.075 52.191 52.037 0.133 0.000 0.817 531 A CB 1.880 20.988 19.000 0.180 0.000 1.269 531 A HN 1.128 nan 8.150 nan 0.000 0.469 532 G N -1.299 107.589 108.800 0.147 0.000 2.975 532 G HA2 0.487 4.447 3.960 0.001 0.000 0.291 532 G HA3 0.487 4.447 3.960 0.001 0.000 0.291 532 G C 0.171 175.082 174.900 0.017 0.000 1.334 532 G CA 0.503 45.729 45.100 0.210 0.000 0.843 532 G HN 0.584 nan 8.290 nan 0.000 0.548 533 T N -0.694 113.769 114.554 -0.152 0.000 3.051 533 T HA 0.441 4.791 4.350 0.001 0.000 0.255 533 T C 0.845 175.574 174.700 0.049 0.000 1.085 533 T CA 0.953 62.976 62.100 -0.128 0.000 1.109 533 T CB 0.285 68.989 68.868 -0.274 0.000 0.921 533 T HN 1.075 nan 8.240 nan 0.000 0.488 534 G N -0.040 108.795 108.800 0.058 0.000 2.606 534 G HA2 0.422 4.383 3.960 0.001 0.000 0.300 534 G HA3 0.422 4.383 3.960 0.001 0.000 0.300 534 G C 0.078 174.991 174.900 0.022 0.000 1.360 534 G CA -0.373 44.748 45.100 0.035 0.000 0.783 534 G HN -0.014 nan 8.290 nan 0.000 0.484 535 E N -0.925 119.228 120.200 -0.078 0.000 2.058 535 E HA -0.163 4.188 4.350 0.001 0.000 0.194 535 E C 2.336 178.945 176.600 0.016 0.000 0.997 535 E CA 1.562 57.953 56.400 -0.016 0.000 0.801 535 E CB -0.044 29.614 29.700 -0.071 0.000 0.746 535 E HN 0.312 nan 8.360 nan 0.000 0.450 536 L N 1.017 122.209 121.223 -0.050 0.000 1.988 536 L HA -0.196 4.144 4.340 0.001 0.000 0.207 536 L C 2.596 179.439 176.870 -0.044 0.000 1.071 536 L CA 2.204 56.981 54.840 -0.105 0.000 0.744 536 L CB -0.847 41.070 42.059 -0.236 0.000 0.893 536 L HN 0.304 nan 8.230 nan 0.000 0.433 537 H N -0.535 118.492 119.070 -0.072 0.000 2.325 537 H HA -0.249 4.308 4.556 0.001 0.000 0.293 537 H C 2.162 177.508 175.328 0.030 0.000 1.106 537 H CA 2.614 58.669 56.048 0.011 0.000 1.247 537 H CB -0.100 29.681 29.762 0.031 0.000 1.359 537 H HN 0.400 nan 8.280 nan 0.000 0.488 538 L N 1.415 122.712 121.223 0.123 0.000 2.056 538 L HA -0.106 4.234 4.340 0.001 0.000 0.207 538 L C 2.579 179.455 176.870 0.009 0.000 1.078 538 L CA 2.203 57.089 54.840 0.076 0.000 0.749 538 L CB -0.802 41.328 42.059 0.119 0.000 0.901 538 L HN 0.211 nan 8.230 nan 0.000 0.433 539 E N -0.014 120.191 120.200 0.008 0.000 2.070 539 E HA -0.251 4.099 4.350 0.001 0.000 0.197 539 E C 1.998 178.589 176.600 -0.015 0.000 1.004 539 E CA 2.106 58.504 56.400 -0.004 0.000 0.805 539 E CB -0.411 29.276 29.700 -0.021 0.000 0.744 539 E HN 0.498 nan 8.360 nan 0.000 0.451 540 I N 0.177 120.729 120.570 -0.029 0.000 2.142 540 I HA -0.320 3.851 4.170 0.001 0.000 0.240 540 I C 2.521 178.632 176.117 -0.010 0.000 1.078 540 I CA 1.156 62.460 61.300 0.007 0.000 1.343 540 I CB -0.753 37.285 38.000 0.063 0.000 1.046 540 I HN 0.264 nan 8.210 nan 0.000 0.405 541 C N 0.156 119.410 119.300 -0.077 0.000 2.410 541 C HA -0.137 4.323 4.460 0.001 0.000 0.281 541 C C 2.762 177.725 174.990 -0.045 0.000 1.318 541 C CA 0.560 59.532 59.018 -0.076 0.000 1.776 541 C CB -1.364 26.300 27.740 -0.127 0.000 1.942 541 C HN 0.465 nan 8.230 nan 0.000 0.508 542 L N 0.037 121.239 121.223 -0.036 0.000 2.072 542 L HA -0.170 4.170 4.340 0.001 0.000 0.205 542 L C 2.787 179.614 176.870 -0.073 0.000 1.079 542 L CA 1.444 56.257 54.840 -0.045 0.000 0.752 542 L CB -0.767 41.275 42.059 -0.028 0.000 0.906 542 L HN 0.421 nan 8.230 nan 0.000 0.436 543 Q N 0.157 119.938 119.800 -0.032 0.000 2.020 543 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 543 Q C 1.817 177.789 176.000 -0.045 0.000 0.982 543 Q CA 1.832 57.614 55.803 -0.036 0.000 0.838 543 Q CB -0.206 28.632 28.738 0.167 0.000 0.899 543 Q HN 0.432 nan 8.270 nan 0.000 0.423 544 D N 0.611 121.068 120.400 0.095 0.000 2.182 544 D HA -0.157 4.483 4.640 0.001 0.000 0.201 544 D C 1.676 178.114 176.300 0.231 0.000 0.986 544 D CA 0.707 54.809 54.000 0.170 0.000 0.847 544 D CB -0.131 40.797 40.800 0.214 0.000 0.942 544 D HN 0.082 nan 8.370 nan 0.000 0.467 545 L N 0.632 121.940 121.223 0.142 0.000 2.072 545 L HA -0.043 4.297 4.340 0.001 0.000 0.205 545 L C 1.921 178.782 176.870 -0.014 0.000 1.079 545 L CA 1.661 56.567 54.840 0.111 0.000 0.752 545 L CB -0.290 41.745 42.059 -0.041 0.000 0.906 545 L HN -0.052 nan 8.230 nan 0.000 0.436 546 E N -1.912 118.177 120.200 -0.186 0.000 2.285 546 E HA -0.177 4.174 4.350 0.001 0.000 0.194 546 E C 1.558 178.020 176.600 -0.230 0.000 0.997 546 E CA 0.923 57.166 56.400 -0.261 0.000 0.845 546 E CB 0.038 29.506 29.700 -0.386 0.000 0.782 546 E HN 0.748 nan 8.360 nan 0.000 0.491 547 H N -1.110 117.974 119.070 0.023 0.000 2.506 547 H HA 0.111 4.667 4.556 0.001 0.000 0.289 547 H C 0.973 176.288 175.328 -0.021 0.000 1.009 547 H CA 0.516 56.564 56.048 0.001 0.000 1.303 547 H CB 0.531 30.293 29.762 -0.000 0.000 1.453 547 H HN 0.046 nan 8.280 nan 0.000 0.526 548 D N -0.658 119.777 120.400 0.058 0.000 3.094 548 D HA -0.005 4.636 4.640 0.001 0.000 0.267 548 D C 1.942 178.188 176.300 -0.090 0.000 1.542 548 D CA 0.248 54.207 54.000 -0.069 0.000 1.157 548 D CB -0.504 40.172 40.800 -0.208 0.000 1.098 548 D HN 0.285 nan 8.370 nan 0.000 0.340 549 H N 1.089 120.151 119.070 -0.012 0.000 2.325 549 H HA -0.119 4.437 4.556 0.001 0.000 0.293 549 H C 1.627 176.937 175.328 -0.030 0.000 1.106 549 H CA 2.002 58.035 56.048 -0.024 0.000 1.247 549 H CB 0.106 29.851 29.762 -0.030 0.000 1.359 549 H HN 0.166 nan 8.280 nan 0.000 0.488 550 A N -0.498 122.376 122.820 0.090 0.000 1.984 550 A HA 0.366 4.687 4.320 0.001 0.000 0.203 550 A C 1.956 179.545 177.584 0.008 0.000 1.292 550 A CA 0.956 53.008 52.037 0.024 0.000 0.782 550 A CB -0.094 18.902 19.000 -0.007 0.000 0.924 550 A HN 0.474 nan 8.150 nan 0.000 0.475 551 G N -0.632 108.174 108.800 0.010 0.000 2.273 551 G HA2 -0.092 3.868 3.960 0.001 0.000 0.280 551 G HA3 -0.092 3.868 3.960 0.001 0.000 0.280 551 G C -0.134 174.771 174.900 0.009 0.000 1.047 551 G CA 0.430 45.541 45.100 0.018 0.000 0.869 551 G HN 1.100 nan 8.290 nan 0.000 0.502 552 V N -0.048 119.862 119.914 -0.007 0.000 2.709 552 V HA 0.494 4.614 4.120 0.001 0.000 0.308 552 V C -2.128 173.955 176.094 -0.019 0.000 1.062 552 V CA -1.922 60.371 62.300 -0.011 0.000 0.901 552 V CB 2.505 34.315 31.823 -0.020 0.000 1.003 552 V HN 0.077 nan 8.190 nan 0.000 0.425 553 P HA 0.128 nan 4.420 nan 0.000 0.257 553 P C -0.829 176.458 177.300 -0.021 0.000 1.189 553 P CA 0.612 63.707 63.100 -0.008 0.000 0.780 553 P CB 0.076 31.776 31.700 0.001 0.000 0.772 554 L N 3.551 124.754 121.223 -0.034 0.000 2.331 554 L HA 0.501 4.841 4.340 0.001 0.000 0.275 554 L C 0.715 177.568 176.870 -0.028 0.000 1.022 554 L CA -0.787 54.030 54.840 -0.038 0.000 0.812 554 L CB 1.931 43.955 42.059 -0.058 0.000 1.257 554 L HN 0.179 nan 8.230 nan 0.000 0.435 555 K N 3.320 123.706 120.400 -0.023 0.000 2.449 555 K HA 0.459 4.780 4.320 0.001 0.000 0.257 555 K C -0.524 176.066 176.600 -0.017 0.000 0.989 555 K CA -0.565 55.713 56.287 -0.016 0.000 0.916 555 K CB 0.848 33.341 32.500 -0.011 0.000 1.136 555 K HN 0.402 nan 8.250 nan 0.000 0.439 556 I N 0.880 121.440 120.570 -0.017 0.000 4.575 556 I HA 0.385 4.556 4.170 0.001 0.000 0.212 556 I C 0.605 176.714 176.117 -0.013 0.000 1.552 556 I CA -0.601 60.690 61.300 -0.015 0.000 1.147 556 I CB 0.199 38.190 38.000 -0.014 0.000 1.680 556 I HN 0.734 nan 8.210 nan 0.000 0.682 557 S N -0.792 114.903 115.700 -0.008 0.000 2.567 557 S HA 0.566 5.037 4.470 0.001 0.000 0.270 557 S C -3.099 171.500 174.600 -0.002 0.000 1.152 557 S CA -1.067 57.127 58.200 -0.010 0.000 0.835 557 S CB 0.898 64.086 63.200 -0.020 0.000 1.115 557 S HN 0.252 nan 8.310 nan 0.000 0.459 558 P HA 0.215 nan 4.420 nan 0.000 0.266 558 P C -2.500 174.804 177.300 0.006 0.000 1.193 558 P CA -0.552 62.537 63.100 -0.018 0.000 0.770 558 P CB -0.465 31.211 31.700 -0.040 0.000 0.836 559 P HA -0.023 nan 4.420 nan 0.000 0.261 559 P C -0.701 176.673 177.300 0.124 0.000 1.203 559 P CA 0.553 63.721 63.100 0.114 0.000 0.767 559 P CB 0.253 32.089 31.700 0.228 0.000 0.785 560 V N 5.235 125.249 119.914 0.167 0.000 2.435 560 V HA 0.197 4.317 4.120 0.001 0.000 0.290 560 V C 0.609 176.845 176.094 0.237 0.000 1.030 560 V CA -0.831 61.589 62.300 0.199 0.000 0.881 560 V CB 2.156 34.091 31.823 0.187 0.000 0.983 560 V HN 0.264 nan 8.190 nan 0.000 0.445 561 V N 3.753 123.824 119.914 0.261 0.000 2.546 561 V HA 0.590 4.710 4.120 0.001 0.000 0.284 561 V C 0.670 176.825 176.094 0.102 0.000 1.050 561 V CA -0.389 61.990 62.300 0.131 0.000 0.981 561 V CB 1.503 33.338 31.823 0.021 0.000 0.990 561 V HN 1.003 nan 8.190 nan 0.000 0.474 562 A N 4.819 127.654 122.820 0.026 0.000 2.320 562 A HA 0.705 5.025 4.320 0.001 0.000 0.287 562 A C -0.901 176.744 177.584 0.101 0.000 1.181 562 A CA -0.206 51.907 52.037 0.128 0.000 0.831 562 A CB 0.066 19.153 19.000 0.145 0.000 1.102 562 A HN 0.732 nan 8.150 nan 0.000 0.513 563 Y N 1.064 121.518 120.300 0.257 0.000 2.631 563 Y HA 0.683 5.233 4.550 0.001 0.000 0.328 563 Y C 0.740 176.625 175.900 -0.025 0.000 1.118 563 Y CA -0.816 57.461 58.100 0.295 0.000 1.206 563 Y CB 1.202 39.895 38.460 0.389 0.000 1.337 563 Y HN 0.520 nan 8.280 nan 0.000 0.515 564 R N 0.829 121.361 120.500 0.053 0.000 2.711 564 R HA 0.379 4.719 4.340 0.001 0.000 0.284 564 R C -1.303 174.974 176.300 -0.038 0.000 0.968 564 R CA -0.923 55.023 56.100 -0.257 0.000 0.924 564 R CB 1.694 31.588 30.300 -0.677 0.000 1.162 564 R HN 0.751 nan 8.270 nan 0.000 0.465 565 E N 0.795 120.948 120.200 -0.078 0.000 2.151 565 E HA 0.359 4.709 4.350 0.001 0.000 0.275 565 E C -0.473 176.270 176.600 0.239 0.000 0.936 565 E CA -0.377 56.081 56.400 0.097 0.000 0.777 565 E CB 2.322 31.972 29.700 -0.084 0.000 1.108 565 E HN 0.350 nan 8.360 nan 0.000 0.401 566 T N 0.850 115.581 114.554 0.294 0.000 2.812 566 T HA 0.564 4.915 4.350 0.001 0.000 0.294 566 T C -1.342 173.272 174.700 -0.144 0.000 1.159 566 T CA -0.667 61.515 62.100 0.137 0.000 1.008 566 T CB 1.585 70.478 68.868 0.042 0.000 1.289 566 T HN 0.283 nan 8.240 nan 0.000 0.514 567 V N 0.286 120.057 119.914 -0.237 0.000 2.864 567 V HA 0.730 4.851 4.120 0.001 0.000 0.314 567 V C -0.007 175.991 176.094 -0.160 0.000 1.073 567 V CA -0.556 61.539 62.300 -0.343 0.000 0.956 567 V CB 1.936 33.489 31.823 -0.450 0.000 1.023 567 V HN 0.988 nan 8.190 nan 0.000 0.435 568 E N 1.563 121.679 120.200 -0.140 0.000 2.624 568 E HA 0.340 4.690 4.350 0.001 0.000 0.210 568 E C 0.092 176.644 176.600 -0.079 0.000 0.997 568 E CA 0.418 56.769 56.400 -0.081 0.000 0.999 568 E CB 0.986 30.653 29.700 -0.055 0.000 1.040 568 E HN 1.008 nan 8.360 nan 0.000 0.469 569 S N -0.801 114.838 115.700 -0.101 0.000 2.655 569 S HA 0.233 4.703 4.470 0.001 0.000 0.266 569 S C -0.945 173.594 174.600 -0.101 0.000 1.149 569 S CA -1.065 57.081 58.200 -0.090 0.000 0.818 569 S CB 1.867 65.017 63.200 -0.083 0.000 1.130 569 S HN 0.068 nan 8.310 nan 0.000 0.476 570 E N 0.765 120.911 120.200 -0.091 0.000 2.343 570 E HA 0.448 4.798 4.350 0.001 0.000 0.269 570 E C -0.527 176.013 176.600 -0.101 0.000 1.047 570 E CA -0.462 55.883 56.400 -0.091 0.000 0.874 570 E CB 0.886 30.536 29.700 -0.083 0.000 1.033 570 E HN 0.602 nan 8.360 nan 0.000 0.409 571 S N 2.019 117.660 115.700 -0.097 0.000 2.593 571 S HA -0.106 4.364 4.470 0.001 0.000 0.300 571 S C 1.394 175.915 174.600 -0.132 0.000 1.267 571 S CA 0.359 58.490 58.200 -0.115 0.000 1.065 571 S CB 0.631 63.781 63.200 -0.082 0.000 0.807 571 S HN 0.675 nan 8.310 nan 0.000 0.499 572 S N 2.510 118.103 115.700 -0.178 0.000 2.400 572 S HA -0.164 4.307 4.470 0.001 0.000 0.232 572 S C 0.583 175.081 174.600 -0.170 0.000 1.025 572 S CA 0.896 58.991 58.200 -0.175 0.000 0.993 572 S CB -0.422 62.650 63.200 -0.213 0.000 0.808 572 S HN 0.882 nan 8.310 nan 0.000 0.478 573 Q N -1.167 118.509 119.800 -0.207 0.000 2.565 573 Q HA 0.504 4.844 4.340 0.001 0.000 0.294 573 Q C -1.477 174.479 176.000 -0.073 0.000 1.005 573 Q CA -1.078 54.640 55.803 -0.142 0.000 0.771 573 Q CB 0.696 29.326 28.738 -0.180 0.000 1.486 573 Q HN -0.040 nan 8.270 nan 0.000 0.422 574 T N 1.311 115.875 114.554 0.017 0.000 2.916 574 T HA 0.403 4.754 4.350 0.001 0.000 0.303 574 T C -0.227 174.597 174.700 0.207 0.000 1.025 574 T CA 0.267 62.425 62.100 0.098 0.000 1.142 574 T CB 0.491 69.439 68.868 0.135 0.000 0.947 574 T HN 0.567 nan 8.240 nan 0.000 0.544 575 A N 3.367 126.297 122.820 0.182 0.000 2.301 575 A HA 0.693 5.013 4.320 0.001 0.000 0.298 575 A C -0.545 177.061 177.584 0.038 0.000 1.185 575 A CA -0.635 51.542 52.037 0.232 0.000 0.830 575 A CB 0.333 19.445 19.000 0.187 0.000 1.112 575 A HN 0.702 nan 8.150 nan 0.000 0.508 576 L N 2.071 123.113 121.223 -0.301 0.000 2.401 576 L HA 0.847 5.187 4.340 0.001 0.000 0.266 576 L C -0.423 176.064 176.870 -0.638 0.000 0.991 576 L CA 0.089 54.581 54.840 -0.580 0.000 0.818 576 L CB 2.222 43.923 42.059 -0.597 0.000 1.321 576 L HN 0.665 nan 8.230 nan 0.000 0.413 577 S N 3.006 118.437 115.700 -0.448 0.000 2.536 577 S HA 0.654 5.125 4.470 0.001 0.000 0.271 577 S C -1.197 173.260 174.600 -0.237 0.000 1.134 577 S CA -0.760 57.269 58.200 -0.285 0.000 0.897 577 S CB 1.261 64.374 63.200 -0.146 0.000 1.094 577 S HN 0.729 nan 8.310 nan 0.000 0.473 578 K N 1.463 121.763 120.400 -0.166 0.000 2.139 578 K HA 0.571 4.892 4.320 0.001 0.000 0.243 578 K C 0.036 176.589 176.600 -0.078 0.000 0.983 578 K CA -0.727 55.488 56.287 -0.120 0.000 0.890 578 K CB 1.366 33.805 32.500 -0.102 0.000 1.090 578 K HN 0.749 nan 8.250 nan 0.000 0.445 579 S N 0.654 116.322 115.700 -0.053 0.000 2.632 579 S HA 0.166 4.636 4.470 0.001 0.000 0.267 579 S C -2.001 172.575 174.600 -0.040 0.000 1.276 579 S CA -1.172 57.008 58.200 -0.033 0.000 0.998 579 S CB 0.983 64.180 63.200 -0.005 0.000 0.953 579 S HN 0.326 nan 8.310 nan 0.000 0.547 580 P HA -0.173 nan 4.420 nan 0.000 0.216 580 P C 0.972 178.247 177.300 -0.040 0.000 1.154 580 P CA 1.652 64.731 63.100 -0.035 0.000 0.865 580 P CB -0.302 31.381 31.700 -0.027 0.000 0.789 581 N N -0.701 117.986 118.700 -0.021 0.000 2.521 581 N HA -0.095 4.645 4.740 0.001 0.000 0.188 581 N C 0.230 175.626 175.510 -0.189 0.000 1.146 581 N CA 0.474 53.515 53.050 -0.014 0.000 0.893 581 N CB -0.907 37.658 38.487 0.131 0.000 0.975 581 N HN 0.072 nan 8.380 nan 0.000 0.451 582 K N -1.560 118.748 120.400 -0.153 0.000 3.160 582 K HA -0.244 4.076 4.320 0.001 0.000 0.280 582 K C -0.541 175.891 176.600 -0.280 0.000 1.154 582 K CA 1.164 57.326 56.287 -0.209 0.000 0.822 582 K CB -2.245 30.121 32.500 -0.224 0.000 1.239 582 K HN 0.612 nan 8.250 nan 0.000 0.489 583 H N -0.580 118.512 119.070 0.038 0.000 2.755 583 H HA 0.202 4.758 4.556 0.001 0.000 0.273 583 H C 0.153 175.531 175.328 0.083 0.000 1.055 583 H CA -0.325 55.779 56.048 0.093 0.000 1.191 583 H CB 0.519 30.390 29.762 0.182 0.000 1.536 583 H HN 0.159 nan 8.280 nan 0.000 0.529 584 N N 1.169 119.942 118.700 0.122 0.000 2.258 584 N HA 0.381 5.121 4.740 0.001 0.000 0.299 584 N C -0.857 174.658 175.510 0.009 0.000 1.047 584 N CA -0.534 52.565 53.050 0.082 0.000 0.814 584 N CB 2.724 41.255 38.487 0.072 0.000 1.413 584 N HN 0.133 nan 8.380 nan 0.000 0.478 585 R N 1.306 121.807 120.500 0.002 0.000 2.628 585 R HA 0.617 4.958 4.340 0.001 0.000 0.288 585 R C -0.656 175.566 176.300 -0.131 0.000 0.980 585 R CA -0.626 55.399 56.100 -0.125 0.000 0.891 585 R CB 2.208 32.413 30.300 -0.158 0.000 1.188 585 R HN 0.481 nan 8.270 nan 0.000 0.450 586 I N 3.349 123.762 120.570 -0.261 0.000 2.418 586 I HA 0.330 4.500 4.170 0.001 0.000 0.287 586 I C -1.055 174.887 176.117 -0.292 0.000 1.008 586 I CA -0.803 60.405 61.300 -0.153 0.000 1.104 586 I CB 1.391 39.350 38.000 -0.067 0.000 1.264 586 I HN 0.478 nan 8.210 nan 0.000 0.438 587 Y N 7.077 127.356 120.300 -0.035 0.000 2.341 587 Y HA 0.668 5.218 4.550 0.001 0.000 0.337 587 Y C -0.106 175.772 175.900 -0.037 0.000 1.014 587 Y CA -0.986 57.095 58.100 -0.032 0.000 1.111 587 Y CB 1.505 39.951 38.460 -0.024 0.000 1.194 587 Y HN 0.395 nan 8.280 nan 0.000 0.462 588 L N 0.149 121.435 121.223 0.105 0.000 2.502 588 L HA 0.816 5.156 4.340 0.001 0.000 0.253 588 L C -1.480 175.419 176.870 0.049 0.000 1.070 588 L CA -1.451 53.419 54.840 0.048 0.000 0.871 588 L CB 2.321 44.393 42.059 0.023 0.000 1.487 588 L HN 0.487 nan 8.230 nan 0.000 0.408 589 K N 0.324 120.734 120.400 0.018 0.000 2.565 589 K HA 0.857 5.177 4.320 0.001 0.000 0.251 589 K C -1.503 175.096 176.600 -0.002 0.000 0.956 589 K CA -0.299 55.991 56.287 0.006 0.000 0.809 589 K CB 2.093 34.581 32.500 -0.018 0.000 1.267 589 K HN 1.138 nan 8.250 nan 0.000 0.438 590 A N 3.109 125.933 122.820 0.007 0.000 2.279 590 A HA 0.663 4.983 4.320 0.001 0.000 0.303 590 A C -0.910 176.651 177.584 -0.038 0.000 1.108 590 A CA -0.271 51.773 52.037 0.011 0.000 0.830 590 A CB 0.609 19.636 19.000 0.044 0.000 1.106 590 A HN 0.858 nan 8.150 nan 0.000 0.493 591 E N 0.082 120.261 120.200 -0.034 0.000 2.407 591 E HA 0.543 4.893 4.350 0.001 0.000 0.279 591 E C -3.215 173.365 176.600 -0.034 0.000 1.012 591 E CA -2.118 54.247 56.400 -0.058 0.000 0.800 591 E CB 1.350 31.002 29.700 -0.079 0.000 1.276 591 E HN 0.273 nan 8.360 nan 0.000 0.452 592 P HA 0.217 nan 4.420 nan 0.000 0.275 592 P C -0.606 176.710 177.300 0.026 0.000 1.227 592 P CA -0.099 62.993 63.100 -0.013 0.000 0.781 592 P CB 0.511 32.195 31.700 -0.026 0.000 0.906 593 I N 2.784 123.395 120.570 0.067 0.000 2.353 593 I HA 0.161 4.331 4.170 0.001 0.000 0.293 593 I C 0.408 176.589 176.117 0.106 0.000 0.992 593 I CA -0.699 60.676 61.300 0.125 0.000 1.268 593 I CB 0.673 38.761 38.000 0.147 0.000 1.387 593 I HN 0.175 nan 8.210 nan 0.000 0.478 594 D N 6.358 126.839 120.400 0.136 0.000 2.488 594 D HA -0.052 4.589 4.640 0.001 0.000 0.238 594 D C 1.189 177.553 176.300 0.107 0.000 1.138 594 D CA 0.157 54.228 54.000 0.118 0.000 0.873 594 D CB 0.972 41.867 40.800 0.159 0.000 1.183 594 D HN 0.470 nan 8.370 nan 0.000 0.458 595 E N 2.206 122.457 120.200 0.086 0.000 2.114 595 E HA -0.239 4.111 4.350 0.001 0.000 0.199 595 E C 1.477 178.135 176.600 0.097 0.000 1.008 595 E CA 1.284 57.733 56.400 0.082 0.000 0.810 595 E CB 0.170 29.908 29.700 0.063 0.000 0.739 595 E HN 0.574 nan 8.360 nan 0.000 0.456 596 E N -0.021 120.255 120.200 0.128 0.000 2.070 596 E HA -0.175 4.176 4.350 0.001 0.000 0.197 596 E C 2.256 178.919 176.600 0.105 0.000 1.004 596 E CA 1.566 58.079 56.400 0.188 0.000 0.805 596 E CB -0.115 29.767 29.700 0.304 0.000 0.744 596 E HN 0.101 nan 8.360 nan 0.000 0.451 597 V N 1.103 121.027 119.914 0.017 0.000 2.358 597 V HA -0.226 3.895 4.120 0.001 0.000 0.246 597 V C 2.321 178.351 176.094 -0.106 0.000 1.047 597 V CA 1.779 63.947 62.300 -0.219 0.000 1.035 597 V CB -0.418 31.342 31.823 -0.104 0.000 0.658 597 V HN 0.185 nan 8.190 nan 0.000 0.452 598 S N 0.347 116.052 115.700 0.008 0.000 2.348 598 S HA -0.141 4.330 4.470 0.001 0.000 0.221 598 S C 1.943 176.578 174.600 0.057 0.000 1.033 598 S CA 1.638 59.864 58.200 0.044 0.000 1.010 598 S CB -0.422 62.818 63.200 0.067 0.000 0.891 598 S HN 0.462 nan 8.310 nan 0.000 0.442 599 L N 1.165 122.432 121.223 0.074 0.000 2.042 599 L HA -0.168 4.173 4.340 0.001 0.000 0.210 599 L C 2.777 179.686 176.870 0.065 0.000 1.076 599 L CA 1.251 56.148 54.840 0.095 0.000 0.749 599 L CB -0.709 41.414 42.059 0.106 0.000 0.893 599 L HN 0.331 nan 8.230 nan 0.000 0.432 600 A N 0.126 122.955 122.820 0.014 0.000 1.933 600 A HA -0.156 4.164 4.320 0.001 0.000 0.218 600 A C 2.218 179.784 177.584 -0.031 0.000 1.175 600 A CA 1.430 53.454 52.037 -0.022 0.000 0.628 600 A CB -0.585 18.296 19.000 -0.199 0.000 0.814 600 A HN 0.365 nan 8.150 nan 0.000 0.444 601 I N -0.532 120.021 120.570 -0.028 0.000 2.202 601 I HA -0.238 3.933 4.170 0.001 0.000 0.242 601 I C 2.400 178.528 176.117 0.019 0.000 1.091 601 I CA 1.573 62.882 61.300 0.015 0.000 1.368 601 I CB -0.465 37.601 38.000 0.109 0.000 1.058 601 I HN 0.399 nan 8.210 nan 0.000 0.410 602 E N 0.732 120.963 120.200 0.052 0.000 2.204 602 E HA -0.170 4.180 4.350 0.001 0.000 0.195 602 E C 1.341 177.982 176.600 0.068 0.000 0.990 602 E CA 0.810 57.251 56.400 0.069 0.000 0.821 602 E CB -0.098 29.672 29.700 0.118 0.000 0.750 602 E HN 0.430 nan 8.360 nan 0.000 0.477 603 N N -0.653 118.086 118.700 0.065 0.000 2.398 603 N HA 0.017 4.757 4.740 0.001 0.000 0.188 603 N C 1.039 176.582 175.510 0.055 0.000 1.122 603 N CA 0.896 53.988 53.050 0.071 0.000 0.866 603 N CB 1.187 39.720 38.487 0.076 0.000 0.970 603 N HN 0.306 nan 8.380 nan 0.000 0.462 604 G N 0.996 109.812 108.800 0.027 0.000 2.253 604 G HA2 -0.314 3.646 3.960 0.001 0.000 0.251 604 G HA3 -0.314 3.646 3.960 0.001 0.000 0.251 604 G C 1.122 176.018 174.900 -0.008 0.000 0.998 604 G CA 0.364 45.470 45.100 0.009 0.000 0.621 604 G HN 0.349 nan 8.290 nan 0.000 0.524 605 I N 0.867 121.442 120.570 0.009 0.000 2.113 605 I HA -0.115 4.055 4.170 0.001 0.000 0.242 605 I C 1.439 177.551 176.117 -0.008 0.000 1.064 605 I CA 1.529 62.839 61.300 0.018 0.000 1.320 605 I CB -0.223 37.816 38.000 0.064 0.000 1.028 605 I HN 0.218 nan 8.210 nan 0.000 0.406 606 I N 1.991 122.535 120.570 -0.044 0.000 2.282 606 I HA 0.122 4.292 4.170 0.001 0.000 0.290 606 I C -0.058 176.004 176.117 -0.091 0.000 1.090 606 I CA -0.127 61.144 61.300 -0.048 0.000 1.231 606 I CB 0.044 37.994 38.000 -0.083 0.000 1.434 606 I HN 0.202 nan 8.210 nan 0.000 0.487 607 N N 7.944 126.570 118.700 -0.122 0.000 2.399 607 N HA 0.344 5.084 4.740 0.001 0.000 0.295 607 N C -2.053 173.238 175.510 -0.365 0.000 1.048 607 N CA -1.927 50.970 53.050 -0.256 0.000 0.886 607 N CB 2.706 41.119 38.487 -0.124 0.000 1.185 607 N HN 0.094 nan 8.380 nan 0.000 0.487 608 P HA -0.023 nan 4.420 nan 0.000 0.218 608 P C 0.490 177.713 177.300 -0.129 0.000 1.148 608 P CA 1.353 64.110 63.100 -0.571 0.000 0.822 608 P CB 0.338 31.661 31.700 -0.629 0.000 0.784 609 R N -1.294 119.136 120.500 -0.116 0.000 2.297 609 R HA 0.084 4.425 4.340 0.001 0.000 0.197 609 R C 0.394 176.701 176.300 0.011 0.000 0.943 609 R CA 0.037 56.120 56.100 -0.029 0.000 1.038 609 R CB -0.434 29.851 30.300 -0.025 0.000 0.957 609 R HN 0.254 nan 8.270 nan 0.000 0.484 610 D N 1.392 121.796 120.400 0.007 0.000 2.363 610 D HA -0.052 4.589 4.640 0.001 0.000 0.240 610 D C -0.240 176.108 176.300 0.080 0.000 1.236 610 D CA 0.058 54.078 54.000 0.033 0.000 0.927 610 D CB 0.328 41.140 40.800 0.020 0.000 1.150 610 D HN -0.071 nan 8.370 nan 0.000 0.458 611 D N -0.659 119.782 120.400 0.068 0.000 2.390 611 D HA -0.011 4.629 4.640 0.001 0.000 0.249 611 D C 1.070 177.427 176.300 0.096 0.000 1.144 611 D CA -0.248 53.810 54.000 0.097 0.000 0.880 611 D CB 0.197 41.008 40.800 0.019 0.000 1.182 611 D HN 0.341 nan 8.370 nan 0.000 0.451 612 F N 2.852 122.825 119.950 0.038 0.000 2.216 612 F HA -0.036 4.491 4.527 0.001 0.000 0.300 612 F C 1.637 177.462 175.800 0.042 0.000 1.085 612 F CA 0.660 58.690 58.000 0.049 0.000 1.326 612 F CB -0.204 38.830 39.000 0.058 0.000 1.027 612 F HN 0.219 nan 8.300 nan 0.000 0.497 613 K N 1.030 120.893 120.400 -0.896 0.000 2.031 613 K HA 0.052 4.372 4.320 0.001 0.000 0.205 613 K C 2.525 178.970 176.600 -0.258 0.000 1.049 613 K CA 1.020 56.912 56.287 -0.658 0.000 0.939 613 K CB -0.481 31.600 32.500 -0.699 0.000 0.717 613 K HN 0.361 nan 8.250 nan 0.000 0.438 614 A N 1.776 124.488 122.820 -0.180 0.000 1.877 614 A HA -0.198 4.122 4.320 0.001 0.000 0.216 614 A C 2.128 179.686 177.584 -0.044 0.000 1.186 614 A CA 1.528 53.516 52.037 -0.083 0.000 0.620 614 A CB -0.519 18.448 19.000 -0.054 0.000 0.822 614 A HN 0.229 nan 8.150 nan 0.000 0.443 615 R N -0.329 120.156 120.500 -0.025 0.000 2.083 615 R HA -0.154 4.187 4.340 0.001 0.000 0.237 615 R C 2.285 178.579 176.300 -0.009 0.000 1.137 615 R CA 1.656 57.759 56.100 0.004 0.000 0.951 615 R CB -0.455 29.876 30.300 0.051 0.000 0.851 615 R HN 0.437 nan 8.270 nan 0.000 0.434 616 A N 0.832 123.646 122.820 -0.011 0.000 1.902 616 A HA -0.203 4.117 4.320 0.001 0.000 0.217 616 A C 2.158 179.753 177.584 0.020 0.000 1.181 616 A CA 1.626 53.667 52.037 0.008 0.000 0.623 616 A CB -0.530 18.486 19.000 0.027 0.000 0.818 616 A HN 0.321 nan 8.150 nan 0.000 0.443 617 R N 0.182 120.679 120.500 -0.006 0.000 2.091 617 R HA -0.069 4.272 4.340 0.001 0.000 0.238 617 R C 1.783 178.104 176.300 0.035 0.000 1.136 617 R CA 1.869 57.973 56.100 0.007 0.000 0.959 617 R CB -0.667 29.622 30.300 -0.018 0.000 0.856 617 R HN 0.605 nan 8.270 nan 0.000 0.437 618 I N -0.350 120.243 120.570 0.039 0.000 2.202 618 I HA -0.283 3.888 4.170 0.001 0.000 0.242 618 I C 2.229 178.445 176.117 0.165 0.000 1.091 618 I CA 1.491 62.842 61.300 0.085 0.000 1.368 618 I CB -0.232 37.821 38.000 0.088 0.000 1.058 618 I HN 0.208 nan 8.210 nan 0.000 0.410 619 M N 0.299 119.960 119.600 0.102 0.000 2.213 619 M HA -0.179 4.301 4.480 0.001 0.000 0.263 619 M C 2.422 178.861 176.300 0.231 0.000 1.062 619 M CA 1.862 57.212 55.300 0.083 0.000 1.105 619 M CB -0.472 31.954 32.600 -0.290 0.000 1.385 619 M HN 0.320 nan 8.290 nan 0.000 0.417 620 A N 0.257 123.188 122.820 0.184 0.000 1.874 620 A HA -0.114 4.206 4.320 0.001 0.000 0.214 620 A C 1.728 179.394 177.584 0.135 0.000 1.189 620 A CA 1.517 53.671 52.037 0.195 0.000 0.615 620 A CB -0.407 18.677 19.000 0.139 0.000 0.830 620 A HN 0.333 nan 8.150 nan 0.000 0.443 621 D N 0.125 120.576 120.400 0.086 0.000 2.137 621 D HA -0.058 4.582 4.640 0.001 0.000 0.202 621 D C 0.759 177.049 176.300 -0.017 0.000 0.970 621 D CA 1.192 55.211 54.000 0.032 0.000 0.837 621 D CB -0.239 40.569 40.800 0.013 0.000 0.981 621 D HN 0.363 nan 8.370 nan 0.000 0.475 622 D N -1.258 119.112 120.400 -0.050 0.000 2.389 622 D HA 0.019 4.659 4.640 0.001 0.000 0.206 622 D C 0.494 176.461 176.300 -0.555 0.000 1.055 622 D CA 0.302 54.110 54.000 -0.320 0.000 0.856 622 D CB 0.322 40.857 40.800 -0.441 0.000 0.957 622 D HN 0.315 nan 8.370 nan 0.000 0.509 623 Y N -0.645 119.707 120.300 0.086 0.000 2.717 623 Y HA 0.328 4.878 4.550 0.001 0.000 0.250 623 Y C 1.345 177.387 175.900 0.237 0.000 1.149 623 Y CA -0.413 57.773 58.100 0.143 0.000 1.211 623 Y CB 0.970 39.504 38.460 0.124 0.000 1.289 623 Y HN -0.075 nan 8.280 nan 0.000 0.552 624 G N 0.218 109.177 108.800 0.265 0.000 2.305 624 G HA2 -0.319 3.641 3.960 0.001 0.000 0.287 624 G HA3 -0.319 3.641 3.960 0.001 0.000 0.287 624 G C -0.353 174.698 174.900 0.252 0.000 1.036 624 G CA -0.102 45.119 45.100 0.202 0.000 0.887 624 G HN 0.320 nan 8.290 nan 0.000 0.505 625 W N 0.196 121.543 121.300 0.077 0.000 2.381 625 W HA 0.529 5.189 4.660 0.001 0.000 0.329 625 W C 0.263 176.804 176.519 0.036 0.000 1.157 625 W CA -0.722 56.655 57.345 0.053 0.000 1.240 625 W CB 0.795 30.291 29.460 0.061 0.000 1.199 625 W HN 0.075 nan 8.180 nan 0.000 0.579 626 D N 2.038 122.518 120.400 0.133 0.000 2.382 626 D HA -0.061 4.580 4.640 0.001 0.000 0.259 626 D C 1.255 177.667 176.300 0.186 0.000 1.224 626 D CA 0.292 54.353 54.000 0.101 0.000 0.894 626 D CB 1.573 42.378 40.800 0.008 0.000 1.127 626 D HN 0.238 nan 8.370 nan 0.000 0.487 627 V N 3.754 123.756 119.914 0.146 0.000 2.568 627 V HA -0.282 3.838 4.120 0.001 0.000 0.253 627 V C 2.228 178.405 176.094 0.138 0.000 1.072 627 V CA 2.709 65.093 62.300 0.140 0.000 1.084 627 V CB -0.444 31.431 31.823 0.087 0.000 0.676 627 V HN 0.785 nan 8.190 nan 0.000 0.469 628 T N -2.957 111.664 114.554 0.112 0.000 2.777 628 T HA -0.188 4.163 4.350 0.001 0.000 0.266 628 T C 1.653 176.430 174.700 0.128 0.000 1.040 628 T CA 1.495 63.656 62.100 0.102 0.000 1.141 628 T CB -0.523 68.382 68.868 0.062 0.000 0.868 628 T HN 0.484 nan 8.240 nan 0.000 0.444 629 D N 1.998 122.485 120.400 0.145 0.000 2.117 629 D HA 0.096 4.736 4.640 0.001 0.000 0.198 629 D C 2.512 178.999 176.300 0.311 0.000 0.982 629 D CA 1.402 55.512 54.000 0.183 0.000 0.828 629 D CB -0.663 40.205 40.800 0.114 0.000 0.967 629 D HN 0.551 nan 8.370 nan 0.000 0.464 630 A N 1.034 124.084 122.820 0.384 0.000 1.972 630 A HA -0.166 4.155 4.320 0.001 0.000 0.219 630 A C 2.100 179.797 177.584 0.190 0.000 1.169 630 A CA 1.045 53.235 52.037 0.255 0.000 0.635 630 A CB -0.382 18.724 19.000 0.176 0.000 0.810 630 A HN 0.128 nan 8.150 nan 0.000 0.446 631 R N -0.417 120.217 120.500 0.224 0.000 2.235 631 R HA 0.018 4.359 4.340 0.001 0.000 0.213 631 R C 0.609 177.097 176.300 0.313 0.000 1.059 631 R CA 0.932 57.231 56.100 0.331 0.000 0.997 631 R CB -0.081 30.407 30.300 0.313 0.000 0.884 631 R HN 0.367 nan 8.270 nan 0.000 0.462 632 K N 1.004 121.533 120.400 0.215 0.000 2.675 632 K HA 0.248 4.568 4.320 0.001 0.000 0.213 632 K C -0.230 176.476 176.600 0.177 0.000 1.074 632 K CA -0.117 56.279 56.287 0.182 0.000 1.172 632 K CB 0.414 32.980 32.500 0.111 0.000 0.927 632 K HN 0.076 nan 8.250 nan 0.000 0.471 633 I N 1.086 121.761 120.570 0.176 0.000 2.533 633 I HA -0.093 4.077 4.170 0.001 0.000 0.284 633 I C 0.659 176.927 176.117 0.251 0.000 1.109 633 I CA -0.139 61.230 61.300 0.114 0.000 1.412 633 I CB 0.425 38.430 38.000 0.008 0.000 1.396 633 I HN 0.274 nan 8.210 nan 0.000 0.543 634 W N 6.129 127.367 121.300 -0.103 0.000 2.630 634 W HA 0.121 4.782 4.660 0.001 0.000 0.271 634 W C 0.760 177.249 176.519 -0.050 0.000 1.244 634 W CA -0.230 57.066 57.345 -0.081 0.000 1.353 634 W CB -0.043 29.355 29.460 -0.103 0.000 1.080 634 W HN 0.672 nan 8.180 nan 0.000 0.594 635 C N -3.885 115.486 119.300 0.118 0.000 3.176 635 C HA 0.579 5.039 4.460 0.001 0.000 0.343 635 C C -0.550 174.481 174.990 0.068 0.000 1.332 635 C CA -1.954 57.160 59.018 0.159 0.000 1.200 635 C CB 0.250 28.104 27.740 0.190 0.000 1.440 635 C HN -0.072 nan 8.230 nan 0.000 0.458 636 F N 0.753 120.781 119.950 0.132 0.000 2.518 636 F HA 0.870 5.398 4.527 0.001 0.000 0.338 636 F C 1.100 177.050 175.800 0.250 0.000 1.065 636 F CA 0.684 58.786 58.000 0.169 0.000 1.012 636 F CB 2.265 41.309 39.000 0.074 0.000 1.297 636 F HN 1.210 nan 8.300 nan 0.000 0.489 637 G N 0.818 109.847 108.800 0.382 0.000 2.616 637 G HA2 0.504 4.464 3.960 0.001 0.000 0.294 637 G HA3 0.504 4.464 3.960 0.001 0.000 0.294 637 G C -3.406 171.477 174.900 -0.029 0.000 1.489 637 G CA -1.109 44.060 45.100 0.115 0.000 0.836 637 G HN 0.240 nan 8.290 nan 0.000 0.527 638 P HA 0.342 nan 4.420 nan 0.000 0.306 638 P C -0.551 176.676 177.300 -0.122 0.000 1.309 638 P CA 0.038 63.032 63.100 -0.178 0.000 0.759 638 P CB 1.083 32.629 31.700 -0.258 0.000 1.314 639 D N -2.298 117.999 120.400 -0.173 0.000 3.059 639 D HA -0.190 4.451 4.640 0.001 0.000 0.220 639 D C 1.074 177.331 176.300 -0.070 0.000 1.169 639 D CA 1.856 55.769 54.000 -0.145 0.000 0.902 639 D CB -1.913 38.798 40.800 -0.148 0.000 1.116 639 D HN 0.848 nan 8.370 nan 0.000 0.417 640 G N 0.896 109.690 108.800 -0.010 0.000 2.168 640 G HA2 -0.378 3.583 3.960 0.001 0.000 0.263 640 G HA3 -0.378 3.583 3.960 0.001 0.000 0.263 640 G C 0.491 175.432 174.900 0.068 0.000 0.977 640 G CA 1.082 46.217 45.100 0.059 0.000 0.659 640 G HN 0.751 nan 8.290 nan 0.000 0.533 641 N N -0.902 117.824 118.700 0.042 0.000 2.073 641 N HA 0.337 5.077 4.740 0.001 0.000 0.227 641 N C 0.819 176.354 175.510 0.041 0.000 1.367 641 N CA 0.756 53.778 53.050 -0.048 0.000 0.775 641 N CB -0.324 38.084 38.487 -0.132 0.000 1.234 641 N HN 0.769 nan 8.380 nan 0.000 0.512 642 G N 1.000 109.870 108.800 0.116 0.000 2.599 642 G HA2 0.354 4.314 3.960 0.001 0.000 0.264 642 G HA3 0.354 4.314 3.960 0.001 0.000 0.264 642 G C -1.991 173.027 174.900 0.197 0.000 1.200 642 G CA -1.248 43.906 45.100 0.091 0.000 0.896 642 G HN 0.034 nan 8.290 nan 0.000 0.536 643 P HA 0.062 nan 4.420 nan 0.000 0.261 643 P C -0.701 176.663 177.300 0.107 0.000 1.650 643 P CA 0.242 63.414 63.100 0.119 0.000 0.846 643 P CB -0.292 31.441 31.700 0.055 0.000 1.758 644 N N 0.577 119.371 118.700 0.156 0.000 2.242 644 N HA 0.489 5.230 4.740 0.001 0.000 0.292 644 N C -0.791 174.859 175.510 0.233 0.000 1.125 644 N CA -0.620 52.556 53.050 0.211 0.000 0.783 644 N CB 2.351 40.958 38.487 0.200 0.000 1.558 644 N HN 0.010 nan 8.380 nan 0.000 0.472 645 L N 0.979 122.303 121.223 0.169 0.000 2.422 645 L HA 0.558 4.898 4.340 0.001 0.000 0.264 645 L C -0.750 175.918 176.870 -0.336 0.000 0.984 645 L CA -1.055 53.696 54.840 -0.149 0.000 0.819 645 L CB 2.596 44.537 42.059 -0.198 0.000 1.330 645 L HN 0.124 nan 8.230 nan 0.000 0.410 646 V N 4.037 123.617 119.914 -0.557 0.000 2.370 646 V HA 0.446 4.566 4.120 0.001 0.000 0.283 646 V C -0.145 175.778 176.094 -0.284 0.000 1.023 646 V CA -0.450 61.523 62.300 -0.545 0.000 0.857 646 V CB 1.838 33.260 31.823 -0.668 0.000 0.985 646 V HN 0.374 nan 8.190 nan 0.000 0.443 647 I N 3.552 123.973 120.570 -0.248 0.000 2.378 647 I HA 0.354 4.525 4.170 0.001 0.000 0.291 647 I C -0.172 175.731 176.117 -0.355 0.000 0.992 647 I CA -0.599 60.586 61.300 -0.192 0.000 1.154 647 I CB 1.711 39.679 38.000 -0.053 0.000 1.315 647 I HN 0.585 nan 8.210 nan 0.000 0.448 648 D N 5.814 125.942 120.400 -0.452 0.000 2.365 648 D HA 0.184 4.825 4.640 0.001 0.000 0.237 648 D C 0.168 176.324 176.300 -0.241 0.000 1.190 648 D CA 0.211 53.881 54.000 -0.550 0.000 0.867 648 D CB 0.735 41.131 40.800 -0.674 0.000 1.050 648 D HN 0.457 nan 8.370 nan 0.000 0.491 649 Q N 2.078 121.752 119.800 -0.209 0.000 2.157 649 Q HA 0.119 4.460 4.340 0.001 0.000 0.229 649 Q C 0.155 176.097 176.000 -0.097 0.000 0.827 649 Q CA -0.282 55.450 55.803 -0.119 0.000 1.055 649 Q CB 0.732 29.406 28.738 -0.107 0.000 1.157 649 Q HN 0.584 nan 8.270 nan 0.000 0.482 650 T N -0.646 113.843 114.554 -0.109 0.000 2.898 650 T HA 0.231 4.581 4.350 0.001 0.000 0.301 650 T C 0.131 174.810 174.700 -0.035 0.000 1.049 650 T CA -0.550 61.509 62.100 -0.068 0.000 1.095 650 T CB 1.016 69.851 68.868 -0.056 0.000 0.976 650 T HN -0.162 nan 8.240 nan 0.000 0.539 651 K N 1.729 122.111 120.400 -0.030 0.000 2.389 651 K HA 0.572 4.893 4.320 0.001 0.000 0.261 651 K C 0.448 177.042 176.600 -0.010 0.000 1.014 651 K CA -0.354 55.921 56.287 -0.020 0.000 0.920 651 K CB 0.831 33.312 32.500 -0.031 0.000 1.149 651 K HN 1.154 nan 8.250 nan 0.000 0.444 652 A N 1.649 124.470 122.820 0.003 0.000 2.739 652 A HA -0.146 4.174 4.320 0.001 0.000 0.296 652 A C -0.002 177.584 177.584 0.005 0.000 1.488 652 A CA 0.443 52.482 52.037 0.003 0.000 0.746 652 A CB -2.067 16.929 19.000 -0.008 0.000 1.047 652 A HN 0.309 nan 8.150 nan 0.000 0.477 653 V N 2.153 122.082 119.914 0.025 0.000 2.368 653 V HA 0.210 4.330 4.120 0.001 0.000 0.266 653 V C 0.865 176.983 176.094 0.040 0.000 1.045 653 V CA -0.014 62.309 62.300 0.038 0.000 0.899 653 V CB 1.136 32.996 31.823 0.063 0.000 1.006 653 V HN 0.680 nan 8.190 nan 0.000 0.470 654 Q N 3.847 123.634 119.800 -0.022 0.000 2.340 654 Q HA 0.324 4.665 4.340 0.001 0.000 0.249 654 Q C -0.050 175.892 176.000 -0.097 0.000 0.957 654 Q CA -0.386 55.330 55.803 -0.145 0.000 0.882 654 Q CB 0.688 29.219 28.738 -0.345 0.000 1.235 654 Q HN 0.747 nan 8.270 nan 0.000 0.439 655 Y N -1.698 118.605 120.300 0.005 0.000 4.894 655 Y HA -0.304 4.246 4.550 0.001 0.000 0.270 655 Y C 1.033 176.767 175.900 -0.277 0.000 0.930 655 Y CA 0.570 58.560 58.100 -0.183 0.000 1.814 655 Y CB -1.742 36.663 38.460 -0.093 0.000 1.235 655 Y HN 0.632 nan 8.280 nan 0.000 0.480 656 L N 1.718 122.988 121.223 0.078 0.000 2.034 656 L HA -0.267 4.073 4.340 0.001 0.000 0.217 656 L C 2.874 179.824 176.870 0.132 0.000 1.077 656 L CA 2.926 57.867 54.840 0.168 0.000 0.769 656 L CB -0.823 41.393 42.059 0.262 0.000 0.890 656 L HN 0.616 nan 8.230 nan 0.000 0.435 657 H N -1.104 118.044 119.070 0.129 0.000 2.457 657 H HA -0.138 4.418 4.556 0.001 0.000 0.297 657 H C 1.563 176.880 175.328 -0.017 0.000 1.092 657 H CA 1.505 57.553 56.048 0.000 0.000 1.309 657 H CB -0.725 29.024 29.762 -0.021 0.000 1.382 657 H HN 0.582 nan 8.280 nan 0.000 0.535 658 E N 1.084 121.078 120.200 -0.344 0.000 2.418 658 E HA 0.005 4.356 4.350 0.001 0.000 0.197 658 E C 1.785 178.346 176.600 -0.065 0.000 1.026 658 E CA 0.898 57.193 56.400 -0.175 0.000 0.862 658 E CB 0.061 29.638 29.700 -0.206 0.000 0.799 658 E HN 0.763 nan 8.360 nan 0.000 0.518 659 I N -2.832 117.728 120.570 -0.017 0.000 4.081 659 I HA 0.207 4.378 4.170 0.001 0.000 0.333 659 I C 1.791 177.941 176.117 0.054 0.000 1.413 659 I CA -0.322 61.002 61.300 0.039 0.000 1.110 659 I CB 0.323 38.379 38.000 0.093 0.000 1.082 659 I HN -0.187 nan 8.210 nan 0.000 0.402 660 K N 1.870 122.220 120.400 -0.082 0.000 2.026 660 K HA -0.181 4.139 4.320 0.001 0.000 0.208 660 K C 1.353 177.863 176.600 -0.149 0.000 1.048 660 K CA 2.331 58.421 56.287 -0.329 0.000 0.929 660 K CB 0.012 32.054 32.500 -0.763 0.000 0.713 660 K HN 0.324 nan 8.250 nan 0.000 0.439 661 D N 0.211 120.549 120.400 -0.104 0.000 2.123 661 D HA -0.132 4.508 4.640 0.001 0.000 0.196 661 D C 1.985 178.299 176.300 0.024 0.000 0.992 661 D CA 1.227 55.203 54.000 -0.041 0.000 0.833 661 D CB -0.282 40.499 40.800 -0.031 0.000 0.954 661 D HN 0.138 nan 8.370 nan 0.000 0.455 662 S N -0.160 115.564 115.700 0.039 0.000 2.368 662 S HA -0.084 4.386 4.470 0.001 0.000 0.224 662 S C 2.335 177.005 174.600 0.116 0.000 1.029 662 S CA 0.481 58.723 58.200 0.070 0.000 0.988 662 S CB -0.150 63.083 63.200 0.056 0.000 0.838 662 S HN 0.086 nan 8.310 nan 0.000 0.462 663 V N 1.492 121.503 119.914 0.160 0.000 2.295 663 V HA -0.138 3.983 4.120 0.001 0.000 0.246 663 V C 2.316 178.556 176.094 0.245 0.000 1.049 663 V CA 1.430 63.870 62.300 0.234 0.000 1.024 663 V CB -0.748 31.323 31.823 0.413 0.000 0.648 663 V HN 0.324 nan 8.190 nan 0.000 0.447 664 V N 0.291 120.330 119.914 0.208 0.000 2.295 664 V HA -0.263 3.857 4.120 0.001 0.000 0.246 664 V C 2.734 178.946 176.094 0.196 0.000 1.049 664 V CA 2.065 64.485 62.300 0.200 0.000 1.024 664 V CB -1.172 30.712 31.823 0.101 0.000 0.648 664 V HN 0.559 nan 8.190 nan 0.000 0.447 665 A N 0.038 122.942 122.820 0.140 0.000 1.908 665 A HA -0.185 4.135 4.320 0.001 0.000 0.218 665 A C 2.428 180.125 177.584 0.190 0.000 1.181 665 A CA 2.333 54.450 52.037 0.134 0.000 0.627 665 A CB -0.867 18.205 19.000 0.119 0.000 0.818 665 A HN 0.598 nan 8.150 nan 0.000 0.445 666 A N -1.540 121.398 122.820 0.196 0.000 1.933 666 A HA -0.063 4.258 4.320 0.001 0.000 0.218 666 A C 2.031 179.749 177.584 0.223 0.000 1.175 666 A CA 1.629 53.782 52.037 0.194 0.000 0.628 666 A CB -0.683 18.402 19.000 0.142 0.000 0.814 666 A HN 0.652 nan 8.150 nan 0.000 0.444 667 F N 0.571 120.575 119.950 0.090 0.000 2.293 667 F HA -0.134 4.394 4.527 0.001 0.000 0.300 667 F C 2.393 178.221 175.800 0.047 0.000 1.086 667 F CA 1.641 59.686 58.000 0.075 0.000 1.375 667 F CB -0.048 39.001 39.000 0.082 0.000 1.045 667 F HN 0.209 nan 8.300 nan 0.000 0.516 668 Q N -0.906 118.913 119.800 0.032 0.000 2.084 668 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 668 Q C 2.174 178.015 176.000 -0.266 0.000 0.978 668 Q CA 1.964 57.667 55.803 -0.167 0.000 0.844 668 Q CB -1.120 27.507 28.738 -0.186 0.000 0.898 668 Q HN 0.620 nan 8.270 nan 0.000 0.426 669 W N 0.564 121.808 121.300 -0.094 0.000 2.476 669 W HA 0.038 4.698 4.660 0.001 0.000 0.281 669 W C 2.396 178.844 176.519 -0.117 0.000 1.230 669 W CA 0.751 58.037 57.345 -0.098 0.000 1.287 669 W CB -0.069 29.348 29.460 -0.071 0.000 1.108 669 W HN 0.140 nan 8.180 nan 0.000 0.567 670 A N -0.083 122.785 122.820 0.080 0.000 1.930 670 A HA -0.197 4.123 4.320 0.001 0.000 0.217 670 A C 1.898 179.419 177.584 -0.105 0.000 1.175 670 A CA 2.279 54.356 52.037 0.067 0.000 0.627 670 A CB -1.280 17.741 19.000 0.035 0.000 0.815 670 A HN 0.284 nan 8.150 nan 0.000 0.443 671 T N -3.109 111.239 114.554 -0.343 0.000 3.057 671 T HA 0.075 4.425 4.350 0.001 0.000 0.254 671 T C 1.675 176.209 174.700 -0.278 0.000 1.094 671 T CA 1.189 63.054 62.100 -0.391 0.000 1.088 671 T CB 0.047 68.556 68.868 -0.598 0.000 0.934 671 T HN 0.330 nan 8.240 nan 0.000 0.497 672 K N 2.017 122.285 120.400 -0.220 0.000 2.057 672 K HA 0.041 4.362 4.320 0.001 0.000 0.206 672 K C 0.360 176.891 176.600 -0.115 0.000 1.050 672 K CA 1.032 57.201 56.287 -0.196 0.000 0.935 672 K CB 0.108 32.456 32.500 -0.255 0.000 0.715 672 K HN 0.529 nan 8.250 nan 0.000 0.439 673 E N -0.059 120.120 120.200 -0.035 0.000 2.316 673 E HA 0.291 4.641 4.350 0.001 0.000 0.254 673 E C -0.845 175.658 176.600 -0.161 0.000 0.902 673 E CA -0.613 55.744 56.400 -0.070 0.000 0.801 673 E CB 1.672 31.406 29.700 0.057 0.000 1.270 673 E HN 0.337 nan 8.360 nan 0.000 0.414 674 G N 2.786 111.367 108.800 -0.365 0.000 2.634 674 G HA2 0.155 4.115 3.960 0.001 0.000 0.255 674 G HA3 0.155 4.115 3.960 0.001 0.000 0.255 674 G C -1.399 173.065 174.900 -0.727 0.000 1.205 674 G CA -0.944 43.772 45.100 -0.640 0.000 0.884 674 G HN 0.294 nan 8.290 nan 0.000 0.549 675 P HA -0.016 nan 4.420 nan 0.000 0.229 675 P C 1.721 178.848 177.300 -0.288 0.000 1.160 675 P CA 0.605 63.164 63.100 -0.901 0.000 0.777 675 P CB 0.332 31.351 31.700 -1.135 0.000 0.814 676 I N -0.315 120.127 120.570 -0.213 0.000 2.162 676 I HA -0.109 4.061 4.170 0.001 0.000 0.238 676 I C 1.460 177.734 176.117 0.261 0.000 1.076 676 I CA 1.653 63.019 61.300 0.109 0.000 1.353 676 I CB -0.360 37.809 38.000 0.282 0.000 1.063 676 I HN -0.076 nan 8.210 nan 0.000 0.408 677 F N -1.151 118.719 119.950 -0.134 0.000 2.413 677 F HA 0.570 5.097 4.527 0.001 0.000 0.377 677 F C 0.524 176.223 175.800 -0.169 0.000 1.427 677 F CA -0.323 57.602 58.000 -0.125 0.000 1.050 677 F CB -0.276 38.669 39.000 -0.092 0.000 1.526 677 F HN 0.084 nan 8.300 nan 0.000 0.495 678 G N 0.109 108.693 108.800 -0.360 0.000 2.155 678 G HA2 -0.241 3.719 3.960 0.001 0.000 0.257 678 G HA3 -0.241 3.719 3.960 0.001 0.000 0.257 678 G C -0.011 174.648 174.900 -0.403 0.000 0.983 678 G CA 0.455 45.355 45.100 -0.333 0.000 0.676 678 G HN 0.494 nan 8.290 nan 0.000 0.528 679 E N 0.714 120.530 120.200 -0.640 0.000 2.283 679 E HA 0.359 4.709 4.350 0.001 0.000 0.267 679 E C 0.652 177.031 176.600 -0.368 0.000 1.045 679 E CA -0.587 55.506 56.400 -0.512 0.000 0.884 679 E CB 0.738 30.014 29.700 -0.707 0.000 1.106 679 E HN 0.578 nan 8.360 nan 0.000 0.408 680 E N 1.251 121.283 120.200 -0.279 0.000 2.415 680 E HA 0.015 4.365 4.350 0.001 0.000 0.262 680 E C 0.129 176.562 176.600 -0.278 0.000 1.038 680 E CA 0.284 56.523 56.400 -0.267 0.000 0.921 680 E CB 0.554 30.103 29.700 -0.250 0.000 0.950 680 E HN 0.225 nan 8.360 nan 0.000 0.438 681 M N 2.102 121.549 119.600 -0.255 0.000 2.241 681 M HA 0.266 4.746 4.480 0.001 0.000 0.335 681 M C 0.242 176.443 176.300 -0.165 0.000 1.122 681 M CA 0.342 55.535 55.300 -0.178 0.000 1.164 681 M CB 0.891 33.400 32.600 -0.152 0.000 1.459 681 M HN 0.357 nan 8.290 nan 0.000 0.461 682 R N -0.069 120.369 120.500 -0.104 0.000 2.566 682 R HA 0.280 4.621 4.340 0.001 0.000 0.271 682 R C -0.728 175.557 176.300 -0.025 0.000 1.071 682 R CA -0.103 55.925 56.100 -0.121 0.000 0.915 682 R CB 1.441 31.563 30.300 -0.298 0.000 1.228 682 R HN 0.838 nan 8.270 nan 0.000 0.449 683 S N 0.511 116.218 115.700 0.011 0.000 3.635 683 S HA -0.127 4.343 4.470 0.001 0.000 0.328 683 S C -0.422 174.221 174.600 0.072 0.000 1.135 683 S CA 0.861 59.090 58.200 0.048 0.000 0.942 683 S CB -1.273 61.948 63.200 0.035 0.000 0.930 683 S HN 0.372 nan 8.310 nan 0.000 0.512 684 V N 1.747 121.725 119.914 0.106 0.000 2.370 684 V HA 0.517 4.638 4.120 0.001 0.000 0.279 684 V C 0.498 176.701 176.094 0.183 0.000 1.029 684 V CA -0.519 61.870 62.300 0.148 0.000 0.870 684 V CB 1.603 33.561 31.823 0.226 0.000 0.984 684 V HN 0.436 nan 8.190 nan 0.000 0.451 685 R N 3.947 124.527 120.500 0.134 0.000 2.387 685 R HA 0.726 5.066 4.340 0.001 0.000 0.314 685 R C -1.738 174.607 176.300 0.075 0.000 0.958 685 R CA -0.423 55.745 56.100 0.113 0.000 0.846 685 R CB 1.860 32.217 30.300 0.096 0.000 1.147 685 R HN 0.518 nan 8.270 nan 0.000 0.447 686 V N 5.003 124.938 119.914 0.035 0.000 2.384 686 V HA 0.304 4.424 4.120 0.001 0.000 0.287 686 V C -0.664 175.372 176.094 -0.097 0.000 1.020 686 V CA -0.963 61.335 62.300 -0.003 0.000 0.850 686 V CB 1.662 33.507 31.823 0.037 0.000 0.987 686 V HN 0.766 nan 8.190 nan 0.000 0.436 687 N N 5.290 123.941 118.700 -0.082 0.000 2.457 687 N HA 0.458 5.198 4.740 0.001 0.000 0.250 687 N C -0.403 175.035 175.510 -0.119 0.000 0.982 687 N CA -0.313 52.666 53.050 -0.118 0.000 0.941 687 N CB 1.991 40.416 38.487 -0.103 0.000 1.120 687 N HN 0.563 nan 8.380 nan 0.000 0.505 688 I N 3.340 123.796 120.570 -0.190 0.000 2.421 688 I HA 0.005 4.175 4.170 0.001 0.000 0.291 688 I C 1.539 177.580 176.117 -0.127 0.000 1.089 688 I CA -0.064 61.132 61.300 -0.172 0.000 1.354 688 I CB 0.629 38.444 38.000 -0.308 0.000 1.413 688 I HN 0.380 nan 8.210 nan 0.000 0.513 689 L N 4.324 125.518 121.223 -0.047 0.000 2.202 689 L HA 0.161 4.502 4.340 0.001 0.000 0.205 689 L C 0.424 177.268 176.870 -0.044 0.000 1.083 689 L CA 0.870 55.684 54.840 -0.044 0.000 0.790 689 L CB -0.104 41.944 42.059 -0.019 0.000 0.942 689 L HN 0.636 nan 8.230 nan 0.000 0.452 690 D N -1.965 118.449 120.400 0.024 0.000 2.648 690 D HA 0.486 5.127 4.640 0.001 0.000 0.244 690 D C -1.526 174.896 176.300 0.204 0.000 1.244 690 D CA -0.191 53.826 54.000 0.028 0.000 0.772 690 D CB 2.569 43.261 40.800 -0.180 0.000 1.379 690 D HN -0.310 nan 8.370 nan 0.000 0.428 691 V N 1.062 121.070 119.914 0.157 0.000 2.777 691 V HA 0.633 4.754 4.120 0.001 0.000 0.306 691 V C -0.512 175.684 176.094 0.170 0.000 1.112 691 V CA -0.777 61.632 62.300 0.181 0.000 0.917 691 V CB 2.013 33.904 31.823 0.112 0.000 1.018 691 V HN 0.763 nan 8.190 nan 0.000 0.426 692 T N 3.178 117.846 114.554 0.190 0.000 2.792 692 T HA 0.854 5.204 4.350 0.001 0.000 0.280 692 T C -0.879 173.902 174.700 0.135 0.000 0.990 692 T CA -0.563 61.631 62.100 0.156 0.000 0.960 692 T CB 1.167 70.138 68.868 0.173 0.000 0.939 692 T HN 0.386 nan 8.240 nan 0.000 0.439 693 L N 2.706 124.012 121.223 0.140 0.000 2.354 693 L HA 0.488 4.828 4.340 0.001 0.000 0.269 693 L C 0.437 177.389 176.870 0.136 0.000 1.005 693 L CA -1.408 53.517 54.840 0.142 0.000 0.819 693 L CB 1.949 44.100 42.059 0.153 0.000 1.311 693 L HN 0.726 nan 8.230 nan 0.000 0.423 694 H N 1.143 120.231 119.070 0.030 0.000 2.732 694 H HA 0.104 4.661 4.556 0.001 0.000 0.351 694 H C 0.591 175.862 175.328 -0.095 0.000 1.090 694 H CA 0.572 56.606 56.048 -0.023 0.000 1.431 694 H CB 1.931 31.650 29.762 -0.073 0.000 1.447 694 H HN 0.831 nan 8.280 nan 0.000 0.582 695 A N 4.762 127.412 122.820 -0.284 0.000 1.883 695 A HA -0.147 4.173 4.320 0.001 0.000 0.217 695 A C 0.534 178.025 177.584 -0.156 0.000 1.186 695 A CA 1.346 53.286 52.037 -0.161 0.000 0.624 695 A CB -0.160 18.753 19.000 -0.145 0.000 0.822 695 A HN 0.741 nan 8.150 nan 0.000 0.444 696 D N -0.654 119.865 120.400 0.197 0.000 2.308 696 D HA 0.478 5.118 4.640 0.001 0.000 0.251 696 D C 0.980 177.236 176.300 -0.074 0.000 1.127 696 D CA 0.601 54.623 54.000 0.038 0.000 0.876 696 D CB 1.458 42.292 40.800 0.057 0.000 1.176 696 D HN 0.203 nan 8.370 nan 0.000 0.446 697 A N 3.443 126.173 122.820 -0.150 0.000 2.066 697 A HA -0.057 4.263 4.320 0.001 0.000 0.218 697 A C 1.308 178.823 177.584 -0.115 0.000 1.157 697 A CA 0.193 52.142 52.037 -0.146 0.000 0.670 697 A CB -0.362 18.557 19.000 -0.135 0.000 0.804 697 A HN 0.693 nan 8.150 nan 0.000 0.453 701 G N -0.250 108.527 108.800 -0.039 0.000 2.588 701 G HA2 0.421 4.382 3.960 0.001 0.000 0.281 701 G HA3 0.421 4.382 3.960 0.001 0.000 0.281 701 G C 1.065 175.959 174.900 -0.011 0.000 1.236 701 G CA -0.258 44.825 45.100 -0.027 0.000 0.969 701 G HN 0.190 nan 8.290 nan 0.000 0.504 702 G N -0.253 108.544 108.800 -0.004 0.000 2.505 702 G HA2 -0.103 3.857 3.960 0.001 0.000 0.220 702 G HA3 -0.103 3.857 3.960 0.001 0.000 0.220 702 G C 1.784 176.685 174.900 0.001 0.000 1.145 702 G CA 1.553 46.658 45.100 0.008 0.000 0.761 702 G HN 1.001 nan 8.290 nan 0.000 0.571 703 G N -0.636 108.158 108.800 -0.009 0.000 2.462 703 G HA2 -0.114 3.846 3.960 0.001 0.000 0.220 703 G HA3 -0.114 3.846 3.960 0.001 0.000 0.220 703 G C 1.853 176.742 174.900 -0.018 0.000 1.121 703 G CA 1.155 46.245 45.100 -0.017 0.000 0.758 703 G HN 0.413 nan 8.290 nan 0.000 0.559 704 Q N -0.499 119.293 119.800 -0.013 0.000 2.200 704 Q HA 0.161 4.502 4.340 0.001 0.000 0.197 704 Q C 2.627 178.626 176.000 -0.003 0.000 0.953 704 Q CA 0.330 56.128 55.803 -0.009 0.000 0.851 704 Q CB -0.209 28.525 28.738 -0.006 0.000 0.938 704 Q HN 0.452 nan 8.270 nan 0.000 0.488 705 I N 1.021 121.596 120.570 0.008 0.000 2.333 705 I HA -0.154 4.017 4.170 0.001 0.000 0.246 705 I C 2.266 178.397 176.117 0.023 0.000 1.106 705 I CA 0.707 62.021 61.300 0.022 0.000 1.411 705 I CB -0.442 37.583 38.000 0.042 0.000 1.082 705 I HN 0.085 nan 8.210 nan 0.000 0.420 706 I N 0.941 121.525 120.570 0.023 0.000 2.118 706 I HA -0.271 3.899 4.170 0.001 0.000 0.241 706 I C -0.324 175.789 176.117 -0.006 0.000 1.070 706 I CA 1.902 63.219 61.300 0.028 0.000 1.327 706 I CB -1.805 36.214 38.000 0.031 0.000 1.034 706 I HN 0.190 nan 8.210 nan 0.000 0.405 707 P HA -0.094 nan 4.420 nan 0.000 0.217 707 P C 1.604 178.869 177.300 -0.059 0.000 1.150 707 P CA 1.441 64.504 63.100 -0.063 0.000 0.832 707 P CB -0.154 31.512 31.700 -0.056 0.000 0.787 708 T N -0.419 114.113 114.554 -0.036 0.000 2.708 708 T HA -0.190 4.160 4.350 0.001 0.000 0.266 708 T C 1.745 176.424 174.700 -0.034 0.000 1.037 708 T CA 1.689 63.765 62.100 -0.040 0.000 1.146 708 T CB -0.726 68.123 68.868 -0.033 0.000 0.865 708 T HN 0.053 nan 8.240 nan 0.000 0.435 709 M N 1.142 120.739 119.600 -0.005 0.000 2.175 709 M HA 0.066 4.546 4.480 0.001 0.000 0.264 709 M C 2.155 178.461 176.300 0.010 0.000 1.063 709 M CA 1.414 56.730 55.300 0.027 0.000 1.119 709 M CB -0.389 32.260 32.600 0.081 0.000 1.377 709 M HN -0.009 nan 8.290 nan 0.000 0.415 710 R N -0.350 120.115 120.500 -0.058 0.000 2.066 710 R HA -0.106 4.234 4.340 0.001 0.000 0.232 710 R C 2.235 178.327 176.300 -0.346 0.000 1.131 710 R CA 1.712 57.686 56.100 -0.210 0.000 0.955 710 R CB -0.126 29.994 30.300 -0.301 0.000 0.851 710 R HN 0.421 nan 8.270 nan 0.000 0.432 711 R N -0.182 120.184 120.500 -0.223 0.000 2.075 711 R HA -0.037 4.304 4.340 0.001 0.000 0.232 711 R C 2.317 178.646 176.300 0.049 0.000 1.126 711 R CA 1.177 57.220 56.100 -0.094 0.000 0.963 711 R CB -0.371 29.960 30.300 0.052 0.000 0.858 711 R HN 0.218 nan 8.270 nan 0.000 0.435 712 A N 0.865 123.698 122.820 0.021 0.000 1.933 712 A HA -0.152 4.169 4.320 0.001 0.000 0.218 712 A C 2.193 179.850 177.584 0.120 0.000 1.175 712 A CA 1.903 53.970 52.037 0.049 0.000 0.628 712 A CB -0.755 18.236 19.000 -0.015 0.000 0.814 712 A HN 0.258 nan 8.150 nan 0.000 0.444 713 T N -1.225 113.404 114.554 0.125 0.000 2.737 713 T HA -0.120 4.230 4.350 0.001 0.000 0.265 713 T C 1.787 176.664 174.700 0.296 0.000 1.038 713 T CA 1.569 63.798 62.100 0.215 0.000 1.144 713 T CB -0.436 68.581 68.868 0.248 0.000 0.866 713 T HN 0.471 nan 8.240 nan 0.000 0.434 714 Y N 1.726 121.990 120.300 -0.061 0.000 2.114 714 Y HA -0.089 4.462 4.550 0.001 0.000 0.282 714 Y C 2.775 178.723 175.900 0.080 0.000 1.165 714 Y CA 0.310 58.290 58.100 -0.200 0.000 1.148 714 Y CB -1.331 36.637 38.460 -0.819 0.000 0.972 714 Y HN 0.212 nan 8.280 nan 0.000 0.504 715 A N -0.203 122.840 122.820 0.372 0.000 1.902 715 A HA -0.118 4.202 4.320 0.001 0.000 0.217 715 A C 2.676 180.471 177.584 0.351 0.000 1.181 715 A CA 1.876 54.205 52.037 0.487 0.000 0.623 715 A CB -1.430 17.888 19.000 0.531 0.000 0.818 715 A HN 0.462 nan 8.150 nan 0.000 0.443 716 G N -1.514 107.443 108.800 0.261 0.000 2.408 716 G HA2 -0.190 3.770 3.960 0.001 0.000 0.217 716 G HA3 -0.190 3.770 3.960 0.001 0.000 0.217 716 G C 1.474 176.466 174.900 0.153 0.000 1.150 716 G CA 1.044 46.243 45.100 0.165 0.000 0.776 716 G HN 0.498 nan 8.290 nan 0.000 0.542 717 F N 0.733 120.727 119.950 0.073 0.000 2.075 717 F HA -0.045 4.483 4.527 0.001 0.000 0.297 717 F C 2.274 178.092 175.800 0.030 0.000 1.113 717 F CA 0.970 58.989 58.000 0.031 0.000 1.218 717 F CB -0.061 38.932 39.000 -0.013 0.000 0.984 717 F HN 0.021 nan 8.300 nan 0.000 0.472 718 L N 0.290 121.729 121.223 0.361 0.000 2.265 718 L HA -0.128 4.212 4.340 0.001 0.000 0.215 718 L C 1.930 178.852 176.870 0.087 0.000 1.117 718 L CA 1.358 56.366 54.840 0.281 0.000 0.782 718 L CB -1.032 41.282 42.059 0.426 0.000 0.914 718 L HN 0.272 nan 8.230 nan 0.000 0.441 719 L N -1.319 119.897 121.223 -0.012 0.000 2.558 719 L HA 0.120 4.460 4.340 0.001 0.000 0.225 719 L C 1.541 178.308 176.870 -0.172 0.000 1.128 719 L CA 0.215 54.937 54.840 -0.197 0.000 0.868 719 L CB -0.201 41.671 42.059 -0.311 0.000 1.006 719 L HN 0.172 nan 8.230 nan 0.000 0.454 720 A N -0.654 122.064 122.820 -0.171 0.000 2.684 720 A HA 0.132 4.452 4.320 0.001 0.000 0.288 720 A C 0.023 177.477 177.584 -0.216 0.000 1.337 720 A CA -0.262 51.659 52.037 -0.194 0.000 0.946 720 A CB -0.268 18.606 19.000 -0.210 0.000 1.093 720 A HN 0.331 nan 8.150 nan 0.000 0.543 721 D N -0.251 120.048 120.400 -0.168 0.000 3.357 721 D HA -0.093 4.547 4.640 0.001 0.000 0.238 721 D C -2.802 173.391 176.300 -0.179 0.000 1.126 721 D CA 0.341 54.262 54.000 -0.131 0.000 0.984 721 D CB -0.523 40.216 40.800 -0.102 0.000 0.925 721 D HN 0.291 nan 8.370 nan 0.000 0.414 722 P HA 0.350 nan 4.420 nan 0.000 0.271 722 P C -0.391 176.883 177.300 -0.044 0.000 1.216 722 P CA -0.057 62.925 63.100 -0.196 0.000 0.771 722 P CB 0.799 32.505 31.700 0.009 0.000 0.864 723 K N 1.716 122.109 120.400 -0.010 0.000 2.480 723 K HA 0.676 4.997 4.320 0.001 0.000 0.258 723 K C -0.550 176.130 176.600 0.132 0.000 0.990 723 K CA -0.831 55.489 56.287 0.054 0.000 0.857 723 K CB 1.566 34.083 32.500 0.027 0.000 1.384 723 K HN 0.461 nan 8.250 nan 0.000 0.446 724 I N -2.051 118.605 120.570 0.144 0.000 2.693 724 I HA 0.540 4.710 4.170 0.001 0.000 0.303 724 I C -1.023 175.232 176.117 0.229 0.000 1.025 724 I CA -0.760 60.668 61.300 0.213 0.000 1.086 724 I CB 2.095 40.236 38.000 0.234 0.000 1.268 724 I HN 0.355 nan 8.210 nan 0.000 0.440 725 Q N 3.626 123.601 119.800 0.292 0.000 2.337 725 Q HA 0.386 4.726 4.340 0.001 0.000 0.266 725 Q C -1.266 175.096 176.000 0.602 0.000 1.023 725 Q CA -0.752 55.269 55.803 0.363 0.000 0.829 725 Q CB 2.667 31.568 28.738 0.271 0.000 1.306 725 Q HN 0.751 nan 8.270 nan 0.000 0.449 726 E N 2.415 122.931 120.200 0.526 0.000 2.179 726 E HA 0.521 4.871 4.350 0.001 0.000 0.275 726 E C -2.590 174.105 176.600 0.159 0.000 0.945 726 E CA -2.321 54.310 56.400 0.385 0.000 0.792 726 E CB 1.474 31.369 29.700 0.326 0.000 1.125 726 E HN 0.172 nan 8.360 nan 0.000 0.397 727 P HA 0.055 nan 4.420 nan 0.000 0.271 727 P C -0.633 176.301 177.300 -0.609 0.000 1.218 727 P CA -0.381 62.325 63.100 -0.657 0.000 0.780 727 P CB 1.084 32.335 31.700 -0.748 0.000 0.901 728 V N 2.960 122.362 119.914 -0.854 0.000 2.733 728 V HA 0.300 4.420 4.120 0.001 0.000 0.306 728 V C -0.026 175.544 176.094 -0.875 0.000 1.084 728 V CA -0.492 61.325 62.300 -0.805 0.000 0.905 728 V CB 1.484 32.864 31.823 -0.739 0.000 1.010 728 V HN 0.335 nan 8.190 nan 0.000 0.424 729 F N 3.088 122.798 119.950 -0.400 0.000 2.375 729 F HA 0.515 5.042 4.527 0.001 0.000 0.313 729 F C 0.396 176.077 175.800 -0.199 0.000 1.176 729 F CA -0.876 56.934 58.000 -0.318 0.000 1.142 729 F CB 0.730 39.570 39.000 -0.267 0.000 1.275 729 F HN 0.242 nan 8.300 nan 0.000 0.544 730 L N 2.676 123.957 121.223 0.098 0.000 2.356 730 L HA 0.427 4.768 4.340 0.001 0.000 0.264 730 L C -1.109 175.738 176.870 -0.039 0.000 1.029 730 L CA -0.627 54.262 54.840 0.082 0.000 0.897 730 L CB 0.893 43.008 42.059 0.093 0.000 1.256 730 L HN 0.380 nan 8.230 nan 0.000 0.444 731 V N 5.626 125.486 119.914 -0.090 0.000 2.353 731 V HA 0.261 4.381 4.120 0.001 0.000 0.264 731 V C 0.050 176.079 176.094 -0.108 0.000 1.049 731 V CA -0.206 62.012 62.300 -0.137 0.000 0.896 731 V CB 1.422 33.122 31.823 -0.204 0.000 1.025 731 V HN 0.817 nan 8.190 nan 0.000 0.475 732 E N 6.703 126.846 120.200 -0.096 0.000 2.216 732 E HA 0.578 4.928 4.350 0.001 0.000 0.279 732 E C -1.158 175.413 176.600 -0.049 0.000 0.997 732 E CA -0.673 55.690 56.400 -0.063 0.000 0.817 732 E CB 1.417 31.093 29.700 -0.040 0.000 1.096 732 E HN 0.767 nan 8.360 nan 0.000 0.393 733 I N 3.449 124.010 120.570 -0.015 0.000 2.569 733 I HA 0.184 4.355 4.170 0.001 0.000 0.290 733 I C -0.917 175.242 176.117 0.071 0.000 1.088 733 I CA -0.974 60.331 61.300 0.008 0.000 1.047 733 I CB 2.116 40.103 38.000 -0.020 0.000 1.237 733 I HN 0.456 nan 8.210 nan 0.000 0.421 734 Q N 4.508 124.394 119.800 0.143 0.000 2.278 734 Q HA 0.627 4.967 4.340 0.001 0.000 0.257 734 Q C -1.023 175.049 176.000 0.120 0.000 0.928 734 Q CA -0.138 55.751 55.803 0.144 0.000 0.932 734 Q CB 2.035 30.868 28.738 0.158 0.000 1.221 734 Q HN 0.682 nan 8.270 nan 0.000 0.434 735 C N 4.277 123.642 119.300 0.108 0.000 3.181 735 C HA 0.586 5.046 4.460 0.001 0.000 0.362 735 C C -2.774 172.254 174.990 0.062 0.000 1.125 735 C CA -1.794 57.264 59.018 0.067 0.000 1.265 735 C CB 1.383 29.134 27.740 0.019 0.000 1.632 735 C HN 0.623 nan 8.230 nan 0.000 0.525 736 P HA 0.090 nan 4.420 nan 0.000 0.266 736 P C 0.505 177.719 177.300 -0.143 0.000 1.193 736 P CA 0.655 63.758 63.100 0.006 0.000 0.770 736 P CB 0.431 32.146 31.700 0.026 0.000 0.836 737 E N 2.383 122.420 120.200 -0.273 0.000 2.267 737 E HA -0.287 4.063 4.350 0.001 0.000 0.197 737 E C 1.557 177.947 176.600 -0.351 0.000 0.998 737 E CA 1.032 57.039 56.400 -0.654 0.000 0.830 737 E CB 0.047 29.365 29.700 -0.637 0.000 0.751 737 E HN 0.527 nan 8.360 nan 0.000 0.491 738 Q N -0.766 118.928 119.800 -0.176 0.000 2.230 738 Q HA -0.036 4.304 4.340 0.001 0.000 0.202 738 Q C 1.439 177.388 176.000 -0.085 0.000 0.963 738 Q CA 1.295 57.036 55.803 -0.103 0.000 0.866 738 Q CB 0.084 28.789 28.738 -0.054 0.000 0.931 738 Q HN 0.182 nan 8.270 nan 0.000 0.452 739 A N 0.384 123.149 122.820 -0.090 0.000 2.538 739 A HA 0.341 4.661 4.320 0.001 0.000 0.269 739 A C 1.497 179.034 177.584 -0.078 0.000 1.231 739 A CA -0.316 51.683 52.037 -0.063 0.000 0.948 739 A CB 0.526 19.503 19.000 -0.039 0.000 1.110 739 A HN 0.172 nan 8.150 nan 0.000 0.529 740 V N -0.209 119.632 119.914 -0.120 0.000 2.913 740 V HA -0.126 3.994 4.120 0.001 0.000 0.260 740 V C 2.592 178.675 176.094 -0.019 0.000 1.098 740 V CA 1.925 64.161 62.300 -0.106 0.000 1.121 740 V CB -0.773 30.954 31.823 -0.161 0.000 0.714 740 V HN 0.591 nan 8.190 nan 0.000 0.487 741 G N 0.730 109.546 108.800 0.027 0.000 2.404 741 G HA2 -0.137 3.823 3.960 0.001 0.000 0.215 741 G HA3 -0.137 3.823 3.960 0.001 0.000 0.215 741 G C 1.643 176.580 174.900 0.060 0.000 1.174 741 G CA 0.760 45.924 45.100 0.107 0.000 0.780 741 G HN 0.559 nan 8.290 nan 0.000 0.537 742 G N 0.864 109.659 108.800 -0.009 0.000 2.479 742 G HA2 -0.167 3.793 3.960 0.001 0.000 0.220 742 G HA3 -0.167 3.793 3.960 0.001 0.000 0.220 742 G C 1.595 176.454 174.900 -0.069 0.000 1.115 742 G CA 0.800 45.880 45.100 -0.033 0.000 0.757 742 G HN 0.329 nan 8.290 nan 0.000 0.560 743 I N 0.148 120.636 120.570 -0.136 0.000 2.133 743 I HA -0.102 4.068 4.170 0.001 0.000 0.238 743 I C 2.361 178.360 176.117 -0.196 0.000 1.074 743 I CA 0.963 62.117 61.300 -0.243 0.000 1.342 743 I CB -1.429 36.284 38.000 -0.477 0.000 1.053 743 I HN 0.214 nan 8.210 nan 0.000 0.404 744 Y N 0.443 120.765 120.300 0.037 0.000 2.574 744 Y HA -0.059 4.492 4.550 0.001 0.000 0.294 744 Y C 2.837 178.760 175.900 0.038 0.000 1.142 744 Y CA 0.921 59.046 58.100 0.043 0.000 1.314 744 Y CB -0.774 37.708 38.460 0.036 0.000 0.991 744 Y HN 0.114 nan 8.280 nan 0.000 0.555 745 S N -0.782 114.995 115.700 0.128 0.000 2.436 745 S HA -0.057 4.414 4.470 0.001 0.000 0.228 745 S C 1.791 176.428 174.600 0.063 0.000 1.014 745 S CA 1.030 59.280 58.200 0.083 0.000 0.950 745 S CB -0.246 62.981 63.200 0.046 0.000 0.784 745 S HN 0.207 nan 8.310 nan 0.000 0.504 746 V N 1.397 121.340 119.914 0.049 0.000 3.263 746 V HA 0.198 4.318 4.120 0.001 0.000 0.248 746 V C 2.130 178.309 176.094 0.140 0.000 1.145 746 V CA 0.463 62.797 62.300 0.056 0.000 1.107 746 V CB -0.374 31.426 31.823 -0.038 0.000 0.797 746 V HN 0.377 nan 8.190 nan 0.000 0.467 747 L N 0.557 121.871 121.223 0.152 0.000 2.017 747 L HA -0.134 4.206 4.340 0.001 0.000 0.208 747 L C 1.982 178.938 176.870 0.144 0.000 1.073 747 L CA 1.450 56.393 54.840 0.172 0.000 0.745 747 L CB -0.584 41.566 42.059 0.151 0.000 0.894 747 L HN 0.382 nan 8.230 nan 0.000 0.432 748 N N 0.372 119.152 118.700 0.134 0.000 2.575 748 N HA -0.072 4.668 4.740 0.001 0.000 0.192 748 N C 0.812 176.379 175.510 0.095 0.000 1.200 748 N CA 0.760 53.876 53.050 0.110 0.000 0.897 748 N CB 0.071 38.619 38.487 0.102 0.000 0.990 748 N HN 0.407 nan 8.380 nan 0.000 0.449 749 K N -0.377 120.085 120.400 0.104 0.000 2.413 749 K HA 0.233 4.553 4.320 0.001 0.000 0.204 749 K C 0.332 177.000 176.600 0.114 0.000 1.041 749 K CA 0.016 56.359 56.287 0.095 0.000 1.082 749 K CB 0.921 33.470 32.500 0.081 0.000 0.871 749 K HN -0.145 nan 8.250 nan 0.000 0.535 750 K N 0.547 121.025 120.400 0.129 0.000 2.589 750 K HA 0.209 4.530 4.320 0.001 0.000 0.198 750 K C -0.415 176.248 176.600 0.105 0.000 1.114 750 K CA -0.124 56.245 56.287 0.137 0.000 1.070 750 K CB 0.930 33.549 32.500 0.198 0.000 0.860 750 K HN 0.055 nan 8.250 nan 0.000 0.536 751 R N 0.244 120.802 120.500 0.097 0.000 3.641 751 R HA -0.143 4.197 4.340 0.001 0.000 0.286 751 R C 0.424 176.775 176.300 0.085 0.000 1.153 751 R CA 0.817 56.969 56.100 0.087 0.000 0.775 751 R CB -2.065 28.283 30.300 0.080 0.000 1.215 751 R HN 0.311 nan 8.270 nan 0.000 0.474 752 G N 0.842 109.698 108.800 0.093 0.000 2.390 752 G HA2 0.236 4.197 3.960 0.001 0.000 0.270 752 G HA3 0.236 4.197 3.960 0.001 0.000 0.270 752 G C -0.384 174.580 174.900 0.106 0.000 1.211 752 G CA -0.347 44.805 45.100 0.087 0.000 0.842 752 G HN 0.193 nan 8.290 nan 0.000 0.519 753 Q N 2.340 122.210 119.800 0.118 0.000 2.368 753 Q HA 0.369 4.710 4.340 0.001 0.000 0.263 753 Q C -0.656 175.381 176.000 0.061 0.000 1.009 753 Q CA -0.669 55.208 55.803 0.124 0.000 0.818 753 Q CB 1.590 30.444 28.738 0.193 0.000 1.239 753 Q HN 0.315 nan 8.270 nan 0.000 0.464 754 V N 5.538 125.502 119.914 0.083 0.000 2.450 754 V HA -0.036 4.085 4.120 0.001 0.000 0.281 754 V C 1.170 177.261 176.094 -0.006 0.000 1.019 754 V CA 0.143 62.485 62.300 0.070 0.000 1.062 754 V CB 0.687 32.641 31.823 0.218 0.000 0.979 754 V HN 0.774 nan 8.190 nan 0.000 0.477 755 V N 3.800 123.639 119.914 -0.126 0.000 2.300 755 V HA 0.048 4.168 4.120 0.001 0.000 0.241 755 V C 0.876 176.932 176.094 -0.063 0.000 1.034 755 V CA 1.533 63.735 62.300 -0.162 0.000 1.021 755 V CB 0.126 31.719 31.823 -0.384 0.000 0.662 755 V HN 0.983 nan 8.190 nan 0.000 0.458 756 S N -0.442 115.227 115.700 -0.052 0.000 2.626 756 S HA 0.405 4.875 4.470 0.001 0.000 0.275 756 S C -1.089 173.515 174.600 0.007 0.000 1.175 756 S CA -0.662 57.528 58.200 -0.017 0.000 0.982 756 S CB 1.879 65.060 63.200 -0.032 0.000 1.093 756 S HN 0.464 nan 8.310 nan 0.000 0.472 757 E N 2.357 122.580 120.200 0.039 0.000 2.134 757 E HA 0.416 4.766 4.350 0.001 0.000 0.278 757 E C -0.684 175.882 176.600 -0.055 0.000 0.959 757 E CA -0.271 56.164 56.400 0.058 0.000 0.783 757 E CB 0.888 30.706 29.700 0.195 0.000 1.095 757 E HN 0.756 nan 8.360 nan 0.000 0.399 758 E N 2.884 123.014 120.200 -0.117 0.000 2.393 758 E HA 0.290 4.641 4.350 0.001 0.000 0.265 758 E C -1.005 175.358 176.600 -0.395 0.000 0.941 758 E CA -0.909 55.363 56.400 -0.213 0.000 0.801 758 E CB 2.353 31.981 29.700 -0.120 0.000 1.313 758 E HN 0.441 nan 8.360 nan 0.000 0.435 759 Q N 0.893 120.455 119.800 -0.397 0.000 2.423 759 Q HA 0.368 4.709 4.340 0.001 0.000 0.278 759 Q C -1.201 174.704 176.000 -0.157 0.000 1.097 759 Q CA -0.824 54.720 55.803 -0.431 0.000 0.809 759 Q CB 2.235 30.600 28.738 -0.620 0.000 1.391 759 Q HN 0.358 nan 8.270 nan 0.000 0.428 760 R N 2.929 123.397 120.500 -0.054 0.000 2.389 760 R HA 0.171 4.512 4.340 0.001 0.000 0.295 760 R C -1.781 174.516 176.300 -0.004 0.000 1.075 760 R CA -1.310 54.785 56.100 -0.008 0.000 1.005 760 R CB 0.581 30.902 30.300 0.034 0.000 0.987 760 R HN 0.485 nan 8.270 nan 0.000 0.452 761 P HA -0.201 nan 4.420 nan 0.000 0.217 761 P C 0.599 177.905 177.300 0.010 0.000 1.158 761 P CA 1.786 64.882 63.100 -0.006 0.000 0.887 761 P CB 0.233 31.930 31.700 -0.005 0.000 0.792 762 G N -1.724 107.086 108.800 0.018 0.000 2.724 762 G HA2 0.017 3.978 3.960 0.001 0.000 0.217 762 G HA3 0.017 3.978 3.960 0.001 0.000 0.217 762 G C 0.180 175.103 174.900 0.039 0.000 1.251 762 G CA 0.721 45.836 45.100 0.024 0.000 0.867 762 G HN 0.370 nan 8.290 nan 0.000 0.590 763 T N 0.285 114.866 114.554 0.046 0.000 2.926 763 T HA 0.362 4.712 4.350 0.001 0.000 0.307 763 T C -2.169 172.593 174.700 0.102 0.000 1.059 763 T CA -1.127 61.012 62.100 0.064 0.000 1.122 763 T CB 1.508 70.415 68.868 0.065 0.000 0.972 763 T HN -0.049 nan 8.240 nan 0.000 0.545 764 P HA 0.175 nan 4.420 nan 0.000 0.271 764 P C -0.294 177.159 177.300 0.255 0.000 1.535 764 P CA -0.261 62.955 63.100 0.192 0.000 0.820 764 P CB -0.418 31.350 31.700 0.112 0.000 1.606 765 L N 0.180 121.535 121.223 0.219 0.000 2.334 765 L HA 0.317 4.657 4.340 0.001 0.000 0.286 765 L C -0.079 176.970 176.870 0.299 0.000 1.108 765 L CA -0.553 54.417 54.840 0.217 0.000 0.875 765 L CB -1.246 40.893 42.059 0.134 0.000 1.246 765 L HN -0.098 nan 8.230 nan 0.000 0.439 766 F N 2.487 122.458 119.950 0.036 0.000 2.472 766 F HA 0.247 4.774 4.527 0.001 0.000 0.312 766 F C 1.177 176.993 175.800 0.027 0.000 1.256 766 F CA 0.083 58.103 58.000 0.034 0.000 1.275 766 F CB 0.920 39.944 39.000 0.041 0.000 1.228 766 F HN 0.394 nan 8.300 nan 0.000 0.567 767 T N 1.429 116.072 114.554 0.147 0.000 3.233 767 T HA 0.335 4.685 4.350 0.001 0.000 0.324 767 T C -1.348 173.382 174.700 0.051 0.000 0.992 767 T CA -0.513 61.634 62.100 0.079 0.000 1.414 767 T CB -0.357 68.530 68.868 0.031 0.000 0.935 767 T HN 0.258 nan 8.240 nan 0.000 0.544 768 V N 5.332 125.285 119.914 0.066 0.000 2.461 768 V HA 0.464 4.584 4.120 0.001 0.000 0.275 768 V C 0.395 176.475 176.094 -0.023 0.000 1.047 768 V CA -0.357 61.962 62.300 0.032 0.000 0.955 768 V CB 1.071 32.882 31.823 -0.020 0.000 0.988 768 V HN 0.632 nan 8.190 nan 0.000 0.471 769 K N 3.474 123.849 120.400 -0.042 0.000 2.182 769 K HA 0.869 5.190 4.320 0.001 0.000 0.262 769 K C -0.448 176.057 176.600 -0.158 0.000 0.957 769 K CA -0.410 55.815 56.287 -0.104 0.000 0.842 769 K CB 2.197 34.624 32.500 -0.120 0.000 1.099 769 K HN 0.831 nan 8.250 nan 0.000 0.438 770 A N 2.108 124.800 122.820 -0.213 0.000 2.606 770 A HA 0.555 4.875 4.320 0.001 0.000 0.293 770 A C -1.930 175.492 177.584 -0.270 0.000 1.082 770 A CA -0.788 51.104 52.037 -0.242 0.000 0.685 770 A CB 0.670 19.623 19.000 -0.079 0.000 1.284 770 A HN 0.531 nan 8.150 nan 0.000 0.408 771 Y N -0.160 120.128 120.300 -0.021 0.000 2.320 771 Y HA 0.645 5.196 4.550 0.001 0.000 0.324 771 Y C -0.060 175.784 175.900 -0.095 0.000 1.190 771 Y CA -0.877 57.181 58.100 -0.069 0.000 1.215 771 Y CB 1.628 40.072 38.460 -0.026 0.000 1.221 771 Y HN 0.548 nan 8.280 nan 0.000 0.486 772 L N 5.855 127.095 121.223 0.028 0.000 2.446 772 L HA 0.605 4.946 4.340 0.001 0.000 0.268 772 L C -2.923 173.885 176.870 -0.103 0.000 0.975 772 L CA -2.514 52.285 54.840 -0.069 0.000 0.848 772 L CB 1.672 43.590 42.059 -0.235 0.000 1.225 772 L HN 0.289 nan 8.230 nan 0.000 0.410 773 P HA 0.004 nan 4.420 nan 0.000 0.262 773 P C 0.988 178.198 177.300 -0.151 0.000 1.182 773 P CA 0.074 63.096 63.100 -0.129 0.000 0.761 773 P CB 0.705 32.393 31.700 -0.019 0.000 0.795 774 V N 2.946 122.671 119.914 -0.316 0.000 2.407 774 V HA -0.222 3.899 4.120 0.001 0.000 0.248 774 V C 1.868 177.907 176.094 -0.092 0.000 1.055 774 V CA 2.154 64.257 62.300 -0.327 0.000 1.049 774 V CB -1.162 30.316 31.823 -0.576 0.000 0.662 774 V HN 0.683 nan 8.190 nan 0.000 0.455 775 N N 0.285 119.006 118.700 0.035 0.000 2.485 775 N HA -0.106 4.635 4.740 0.001 0.000 0.199 775 N C 0.803 176.484 175.510 0.286 0.000 1.236 775 N CA 0.604 53.819 53.050 0.274 0.000 0.852 775 N CB -0.017 38.624 38.487 0.257 0.000 1.018 775 N HN 0.523 nan 8.380 nan 0.000 0.457 776 E N -0.522 119.781 120.200 0.172 0.000 2.759 776 E HA 0.068 4.418 4.350 0.001 0.000 0.220 776 E C 0.165 176.851 176.600 0.143 0.000 0.974 776 E CA 0.133 56.636 56.400 0.171 0.000 1.148 776 E CB 0.596 30.360 29.700 0.108 0.000 1.059 776 E HN 0.466 nan 8.360 nan 0.000 0.493 777 S N -0.613 115.123 115.700 0.060 0.000 2.539 777 S HA 0.217 4.687 4.470 0.001 0.000 0.221 777 S C 0.463 175.062 174.600 -0.001 0.000 0.987 777 S CA -0.527 57.660 58.200 -0.020 0.000 0.929 777 S CB -0.429 62.724 63.200 -0.078 0.000 0.832 777 S HN -0.032 nan 8.310 nan 0.000 0.492 778 F N 3.283 123.309 119.950 0.126 0.000 2.533 778 F HA 0.473 5.001 4.527 0.001 0.000 0.378 778 F C 1.695 177.556 175.800 0.101 0.000 1.070 778 F CA 0.825 58.884 58.000 0.099 0.000 1.172 778 F CB -0.056 38.991 39.000 0.079 0.000 1.085 778 F HN 0.359 nan 8.300 nan 0.000 0.552 779 G N 3.336 112.264 108.800 0.214 0.000 2.198 779 G HA2 -0.394 3.566 3.960 0.001 0.000 0.260 779 G HA3 -0.394 3.566 3.960 0.001 0.000 0.260 779 G C 0.836 175.809 174.900 0.122 0.000 1.025 779 G CA 0.376 45.559 45.100 0.137 0.000 0.769 779 G HN 0.680 nan 8.290 nan 0.000 0.507 780 F N 1.235 121.182 119.950 -0.006 0.000 2.069 780 F HA -0.073 4.455 4.527 0.001 0.000 0.298 780 F C 2.584 178.357 175.800 -0.045 0.000 1.113 780 F CA 2.765 60.749 58.000 -0.026 0.000 1.214 780 F CB -0.520 38.444 39.000 -0.059 0.000 0.978 780 F HN 0.157 nan 8.300 nan 0.000 0.474 781 T N 0.014 114.505 114.554 -0.104 0.000 2.720 781 T HA -0.141 4.210 4.350 0.001 0.000 0.268 781 T C 2.130 176.714 174.700 -0.194 0.000 1.037 781 T CA 1.419 63.394 62.100 -0.210 0.000 1.144 781 T CB -1.238 67.581 68.868 -0.082 0.000 0.864 781 T HN 0.489 nan 8.240 nan 0.000 0.444 782 G N 1.090 109.826 108.800 -0.107 0.000 2.462 782 G HA2 -0.201 3.760 3.960 0.001 0.000 0.220 782 G HA3 -0.201 3.760 3.960 0.001 0.000 0.220 782 G C 1.404 176.242 174.900 -0.103 0.000 1.121 782 G CA 0.677 45.733 45.100 -0.073 0.000 0.758 782 G HN 0.548 nan 8.290 nan 0.000 0.559 783 E N -0.861 119.240 120.200 -0.166 0.000 2.276 783 E HA 0.119 4.469 4.350 0.001 0.000 0.193 783 E C 2.106 178.563 176.600 -0.239 0.000 0.983 783 E CA -0.151 56.148 56.400 -0.167 0.000 0.861 783 E CB 0.072 29.688 29.700 -0.139 0.000 0.817 783 E HN 0.334 nan 8.360 nan 0.000 0.485 784 L N 1.021 122.010 121.223 -0.389 0.000 2.341 784 L HA 0.053 4.393 4.340 0.001 0.000 0.214 784 L C 2.141 178.883 176.870 -0.213 0.000 1.115 784 L CA 1.155 55.769 54.840 -0.377 0.000 0.820 784 L CB 0.004 41.700 42.059 -0.604 0.000 0.944 784 L HN -0.144 nan 8.230 nan 0.000 0.452 785 R N -0.012 120.386 120.500 -0.171 0.000 2.148 785 R HA -0.041 4.300 4.340 0.001 0.000 0.223 785 R C 1.326 177.584 176.300 -0.071 0.000 1.088 785 R CA 1.454 57.495 56.100 -0.098 0.000 0.985 785 R CB -0.126 30.131 30.300 -0.071 0.000 0.880 785 R HN 0.550 nan 8.270 nan 0.000 0.451 786 Q N -1.646 118.108 119.800 -0.077 0.000 2.157 786 Q HA 0.386 4.727 4.340 0.001 0.000 0.229 786 Q C 0.238 176.206 176.000 -0.053 0.000 0.827 786 Q CA 0.309 56.081 55.803 -0.052 0.000 1.055 786 Q CB 1.608 30.322 28.738 -0.040 0.000 1.157 786 Q HN 0.316 nan 8.270 nan 0.000 0.482 787 A N 0.009 122.787 122.820 -0.071 0.000 2.226 787 A HA 0.043 4.363 4.320 0.001 0.000 0.207 787 A C 1.732 179.284 177.584 -0.053 0.000 1.293 787 A CA 0.723 52.723 52.037 -0.062 0.000 0.968 787 A CB 0.323 19.273 19.000 -0.084 0.000 1.044 787 A HN 0.278 nan 8.150 nan 0.000 0.493 788 T N -5.393 109.125 114.554 -0.061 0.000 3.044 788 T HA 0.447 4.797 4.350 0.001 0.000 0.260 788 T C 1.380 176.062 174.700 -0.030 0.000 1.019 788 T CA 1.089 63.160 62.100 -0.048 0.000 0.921 788 T CB 0.594 69.426 68.868 -0.060 0.000 1.053 788 T HN 1.646 nan 8.240 nan 0.000 0.533 789 G N 0.785 109.568 108.800 -0.028 0.000 2.217 789 G HA2 0.103 4.064 3.960 0.001 0.000 0.246 789 G HA3 0.103 4.064 3.960 0.001 0.000 0.246 789 G C 1.121 176.016 174.900 -0.008 0.000 0.990 789 G CA 0.359 45.451 45.100 -0.013 0.000 0.627 789 G HN 1.788 nan 8.290 nan 0.000 0.522 790 G N -0.984 107.806 108.800 -0.017 0.000 2.184 790 G HA2 -0.214 3.747 3.960 0.001 0.000 0.206 790 G HA3 -0.214 3.747 3.960 0.001 0.000 0.206 790 G C 0.834 175.734 174.900 -0.001 0.000 0.995 790 G CA 1.126 46.220 45.100 -0.011 0.000 0.651 790 G HN 0.939 nan 8.290 nan 0.000 0.511 791 Q N 0.062 119.864 119.800 0.004 0.000 2.311 791 Q HA 0.442 4.783 4.340 0.001 0.000 0.203 791 Q C 1.662 177.671 176.000 0.016 0.000 0.954 791 Q CA 0.828 56.639 55.803 0.013 0.000 0.885 791 Q CB 0.187 28.947 28.738 0.036 0.000 0.963 791 Q HN 0.840 nan 8.270 nan 0.000 0.471 792 A N 1.021 123.847 122.820 0.010 0.000 2.401 792 A HA 0.283 4.604 4.320 0.001 0.000 0.259 792 A C -0.880 176.749 177.584 0.074 0.000 1.103 792 A CA -0.242 51.809 52.037 0.025 0.000 0.789 792 A CB 0.003 18.985 19.000 -0.029 0.000 1.035 792 A HN 0.297 nan 8.150 nan 0.000 0.491 793 F N 5.488 125.410 119.950 -0.046 0.000 2.308 793 F HA 0.534 5.061 4.527 0.001 0.000 0.370 793 F C -2.475 173.312 175.800 -0.022 0.000 1.100 793 F CA -2.754 55.222 58.000 -0.041 0.000 1.108 793 F CB 1.175 40.147 39.000 -0.047 0.000 1.293 793 F HN 0.309 nan 8.300 nan 0.000 0.478 794 P HA 0.150 nan 4.420 nan 0.000 0.271 794 P C -1.600 175.258 177.300 -0.736 0.000 1.233 794 P CA -0.097 62.745 63.100 -0.429 0.000 0.789 794 P CB 0.579 32.143 31.700 -0.227 0.000 0.951 795 Q N 1.356 120.916 119.800 -0.400 0.000 2.913 795 Q HA 0.396 4.737 4.340 0.001 0.000 0.208 795 Q C -1.968 173.893 176.000 -0.231 0.000 0.848 795 Q CA -0.363 55.234 55.803 -0.344 0.000 1.227 795 Q CB 0.274 28.841 28.738 -0.286 0.000 1.647 795 Q HN 0.511 nan 8.270 nan 0.000 0.591 796 M N 1.704 121.146 119.600 -0.264 0.000 2.470 796 M HA 0.877 5.358 4.480 0.001 0.000 0.285 796 M C -1.885 174.238 176.300 -0.295 0.000 1.213 796 M CA -1.008 54.129 55.300 -0.273 0.000 0.901 796 M CB 2.507 34.884 32.600 -0.372 0.000 1.718 796 M HN 0.259 nan 8.290 nan 0.000 0.469 797 V N 2.030 121.867 119.914 -0.129 0.000 3.159 797 V HA 0.610 4.730 4.120 0.001 0.000 0.308 797 V C -1.390 174.880 176.094 0.293 0.000 1.190 797 V CA -0.712 61.597 62.300 0.015 0.000 1.037 797 V CB 2.613 34.429 31.823 -0.011 0.000 1.060 797 V HN 0.858 nan 8.190 nan 0.000 0.437 798 F N 3.215 123.316 119.950 0.253 0.000 2.629 798 F HA 0.216 4.744 4.527 0.001 0.000 0.377 798 F C 0.697 176.447 175.800 -0.083 0.000 1.101 798 F CA 1.422 59.439 58.000 0.028 0.000 1.301 798 F CB 0.950 39.880 39.000 -0.116 0.000 1.062 798 F HN 0.821 nan 8.300 nan 0.000 0.583 799 D N 2.475 122.199 120.400 -1.127 0.000 3.239 799 D HA 0.096 4.736 4.640 0.001 0.000 0.265 799 D C -0.378 175.328 176.300 -0.990 0.000 1.442 799 D CA 0.765 54.301 54.000 -0.772 0.000 1.178 799 D CB 0.265 40.794 40.800 -0.452 0.000 1.198 799 D HN 0.674 nan 8.370 nan 0.000 0.366 800 H N -2.764 115.622 119.070 -1.140 0.000 2.966 800 H HA 0.386 4.943 4.556 0.001 0.000 0.330 800 H C -1.325 173.581 175.328 -0.702 0.000 1.292 800 H CA -1.104 54.508 56.048 -0.726 0.000 1.127 800 H CB 0.139 29.653 29.762 -0.414 0.000 1.863 800 H HN 0.090 nan 8.280 nan 0.000 0.543 801 W N 0.786 122.145 121.300 0.099 0.000 2.520 801 W HA 0.491 5.151 4.660 0.001 0.000 0.323 801 W C 0.102 176.723 176.519 0.169 0.000 1.062 801 W CA -0.775 56.646 57.345 0.127 0.000 1.215 801 W CB 2.052 31.597 29.460 0.141 0.000 1.340 801 W HN 0.481 nan 8.180 nan 0.000 0.516 802 S N 1.727 117.645 115.700 0.364 0.000 2.498 802 S HA 0.440 4.911 4.470 0.001 0.000 0.317 802 S C -0.408 174.321 174.600 0.214 0.000 1.090 802 S CA -0.533 57.803 58.200 0.227 0.000 1.089 802 S CB 0.486 63.788 63.200 0.170 0.000 0.997 802 S HN 0.328 nan 8.310 nan 0.000 0.470 803 T N 6.269 120.914 114.554 0.152 0.000 2.779 803 T HA 0.281 4.631 4.350 0.001 0.000 0.296 803 T C 0.132 174.897 174.700 0.107 0.000 0.938 803 T CA -0.181 61.997 62.100 0.130 0.000 1.119 803 T CB -0.036 68.883 68.868 0.085 0.000 0.891 803 T HN 0.541 nan 8.240 nan 0.000 0.526 804 L N 3.251 124.545 121.223 0.118 0.000 2.360 804 L HA 0.274 4.614 4.340 0.001 0.000 0.276 804 L C 1.833 178.738 176.870 0.058 0.000 1.121 804 L CA -0.448 54.446 54.840 0.090 0.000 0.845 804 L CB 0.457 42.571 42.059 0.093 0.000 1.143 804 L HN 0.849 nan 8.230 nan 0.000 0.452 805 G N 2.155 110.982 108.800 0.045 0.000 2.422 805 G HA2 -0.163 3.797 3.960 0.001 0.000 0.218 805 G HA3 -0.163 3.797 3.960 0.001 0.000 0.218 805 G C 0.907 175.820 174.900 0.022 0.000 1.140 805 G CA 0.408 45.525 45.100 0.029 0.000 0.775 805 G HN 0.680 nan 8.290 nan 0.000 0.545 806 S N 0.134 115.847 115.700 0.022 0.000 2.580 806 S HA 0.176 4.646 4.470 0.001 0.000 0.266 806 S C -0.306 174.299 174.600 0.008 0.000 1.354 806 S CA -0.437 57.770 58.200 0.012 0.000 1.008 806 S CB 1.337 64.541 63.200 0.007 0.000 0.898 806 S HN 0.116 nan 8.310 nan 0.000 0.555 807 D N 1.537 121.939 120.400 0.003 0.000 2.365 807 D HA 0.288 4.929 4.640 0.001 0.000 0.237 807 D C -1.300 174.998 176.300 -0.004 0.000 1.190 807 D CA -2.464 51.539 54.000 0.004 0.000 0.867 807 D CB 1.086 41.890 40.800 0.007 0.000 1.050 807 D HN 0.237 nan 8.370 nan 0.000 0.491 808 P HA -0.085 nan 4.420 nan 0.000 0.231 808 P C 1.223 178.512 177.300 -0.017 0.000 1.158 808 P CA 0.590 63.675 63.100 -0.025 0.000 0.763 808 P CB 0.410 32.124 31.700 0.022 0.000 0.805 809 L N -1.030 120.199 121.223 0.011 0.000 2.408 809 L HA 0.158 4.499 4.340 0.001 0.000 0.215 809 L C 1.018 177.891 176.870 0.005 0.000 1.081 809 L CA 0.185 55.038 54.840 0.023 0.000 0.840 809 L CB -0.423 41.667 42.059 0.051 0.000 1.002 809 L HN -0.080 nan 8.230 nan 0.000 0.468 810 D N 0.853 121.252 120.400 -0.003 0.000 2.339 810 D HA 0.110 4.751 4.640 0.001 0.000 0.241 810 D C -1.754 174.532 176.300 -0.023 0.000 1.183 810 D CA -2.143 51.853 54.000 -0.007 0.000 0.859 810 D CB 1.585 42.383 40.800 -0.003 0.000 1.067 810 D HN -0.153 nan 8.370 nan 0.000 0.484 811 P HA -0.129 nan 4.420 nan 0.000 0.218 811 P C 1.160 178.441 177.300 -0.031 0.000 1.148 811 P CA 1.409 64.489 63.100 -0.034 0.000 0.822 811 P CB 0.017 31.703 31.700 -0.024 0.000 0.784 812 T N -4.086 110.456 114.554 -0.020 0.000 3.055 812 T HA 0.009 4.359 4.350 0.001 0.000 0.265 812 T C 1.077 175.769 174.700 -0.014 0.000 1.111 812 T CA 0.271 62.362 62.100 -0.014 0.000 1.118 812 T CB -0.898 67.966 68.868 -0.008 0.000 0.909 812 T HN 0.179 nan 8.240 nan 0.000 0.501 813 S N 0.458 116.147 115.700 -0.018 0.000 2.608 813 S HA 0.291 4.762 4.470 0.001 0.000 0.261 813 S C 1.173 175.759 174.600 -0.023 0.000 1.314 813 S CA -0.692 57.499 58.200 -0.015 0.000 0.992 813 S CB 1.286 64.477 63.200 -0.014 0.000 0.935 813 S HN 0.356 nan 8.310 nan 0.000 0.564 814 K N 0.340 120.732 120.400 -0.013 0.000 2.057 814 K HA -0.046 4.274 4.320 0.001 0.000 0.206 814 K C 2.218 178.794 176.600 -0.039 0.000 1.050 814 K CA 1.217 57.498 56.287 -0.011 0.000 0.935 814 K CB -0.767 31.741 32.500 0.012 0.000 0.715 814 K HN 0.753 nan 8.250 nan 0.000 0.439 815 A N 0.421 123.213 122.820 -0.047 0.000 1.930 815 A HA 0.019 4.339 4.320 0.001 0.000 0.215 815 A C 2.292 179.779 177.584 -0.161 0.000 1.176 815 A CA 1.487 53.465 52.037 -0.098 0.000 0.632 815 A CB -0.933 18.035 19.000 -0.055 0.000 0.819 815 A HN 0.500 nan 8.150 nan 0.000 0.445 816 G N 0.921 109.656 108.800 -0.108 0.000 2.446 816 G HA2 -0.291 3.670 3.960 0.001 0.000 0.217 816 G HA3 -0.291 3.670 3.960 0.001 0.000 0.217 816 G C 1.424 176.241 174.900 -0.138 0.000 1.168 816 G CA 1.218 46.250 45.100 -0.114 0.000 0.771 816 G HN 0.800 nan 8.290 nan 0.000 0.551 817 E N 0.303 120.440 120.200 -0.106 0.000 2.110 817 E HA -0.083 4.267 4.350 0.001 0.000 0.193 817 E C 2.385 178.901 176.600 -0.139 0.000 0.988 817 E CA 0.865 57.209 56.400 -0.093 0.000 0.804 817 E CB -0.419 29.248 29.700 -0.054 0.000 0.745 817 E HN 0.505 nan 8.360 nan 0.000 0.458 818 I N 1.357 121.807 120.570 -0.200 0.000 2.226 818 I HA -0.235 3.935 4.170 0.001 0.000 0.245 818 I C 2.415 178.247 176.117 -0.474 0.000 1.100 818 I CA 0.829 61.949 61.300 -0.301 0.000 1.374 818 I CB -0.196 37.557 38.000 -0.412 0.000 1.057 818 I HN 0.057 nan 8.210 nan 0.000 0.413 819 V N 0.711 120.282 119.914 -0.573 0.000 2.307 819 V HA -0.261 3.859 4.120 0.001 0.000 0.245 819 V C 2.392 178.297 176.094 -0.316 0.000 1.045 819 V CA 1.549 63.421 62.300 -0.714 0.000 1.024 819 V CB -0.569 30.934 31.823 -0.532 0.000 0.651 819 V HN 0.338 nan 8.190 nan 0.000 0.449 820 L N 1.144 122.254 121.223 -0.188 0.000 1.989 820 L HA -0.156 4.185 4.340 0.001 0.000 0.211 820 L C 2.477 179.318 176.870 -0.048 0.000 1.071 820 L CA 2.612 57.401 54.840 -0.086 0.000 0.749 820 L CB -1.128 40.892 42.059 -0.064 0.000 0.890 820 L HN 0.229 nan 8.230 nan 0.000 0.431 821 A N -0.517 122.269 122.820 -0.057 0.000 1.883 821 A HA -0.142 4.179 4.320 0.001 0.000 0.217 821 A C 2.437 180.046 177.584 0.042 0.000 1.186 821 A CA 2.135 54.166 52.037 -0.010 0.000 0.624 821 A CB -1.313 17.678 19.000 -0.014 0.000 0.822 821 A HN 0.634 nan 8.150 nan 0.000 0.444 822 A N -0.713 122.129 122.820 0.037 0.000 1.972 822 A HA -0.131 4.189 4.320 0.001 0.000 0.219 822 A C 2.255 180.015 177.584 0.294 0.000 1.169 822 A CA 1.454 53.616 52.037 0.207 0.000 0.635 822 A CB -0.403 18.746 19.000 0.249 0.000 0.810 822 A HN 0.553 nan 8.150 nan 0.000 0.446 823 R N -0.389 120.199 120.500 0.148 0.000 2.062 823 R HA -0.036 4.305 4.340 0.001 0.000 0.229 823 R C 2.091 178.477 176.300 0.144 0.000 1.128 823 R CA 1.467 57.656 56.100 0.149 0.000 0.960 823 R CB -0.235 30.111 30.300 0.076 0.000 0.855 823 R HN 0.469 nan 8.270 nan 0.000 0.432 824 K N 0.191 120.645 120.400 0.091 0.000 2.147 824 K HA -0.137 4.183 4.320 0.001 0.000 0.205 824 K C 2.071 178.713 176.600 0.069 0.000 1.049 824 K CA 0.938 57.265 56.287 0.066 0.000 0.936 824 K CB -0.076 32.445 32.500 0.035 0.000 0.722 824 K HN 0.042 nan 8.250 nan 0.000 0.446 825 R N 0.167 120.720 120.500 0.089 0.000 2.235 825 R HA -0.085 4.255 4.340 0.001 0.000 0.213 825 R C 0.807 177.068 176.300 -0.066 0.000 1.059 825 R CA 1.141 57.253 56.100 0.019 0.000 0.997 825 R CB 0.090 30.403 30.300 0.022 0.000 0.884 825 R HN 0.296 nan 8.270 nan 0.000 0.462 826 H N -1.826 117.278 119.070 0.058 0.000 2.652 826 H HA 0.268 4.824 4.556 0.001 0.000 0.274 826 H C 0.483 175.836 175.328 0.042 0.000 1.021 826 H CA 0.598 56.680 56.048 0.056 0.000 1.187 826 H CB 1.456 31.263 29.762 0.076 0.000 1.505 826 H HN 0.359 nan 8.280 nan 0.000 0.530 827 G N 1.309 110.182 108.800 0.122 0.000 2.289 827 G HA2 -0.294 3.667 3.960 0.001 0.000 0.280 827 G HA3 -0.294 3.667 3.960 0.001 0.000 0.280 827 G C -0.071 174.878 174.900 0.083 0.000 1.089 827 G CA 0.438 45.585 45.100 0.078 0.000 0.939 827 G HN 0.248 nan 8.290 nan 0.000 0.499 828 M N -0.364 119.293 119.600 0.094 0.000 2.821 828 M HA 0.575 5.055 4.480 0.001 0.000 0.304 828 M C 0.401 176.734 176.300 0.055 0.000 1.233 828 M CA -1.212 54.134 55.300 0.076 0.000 0.851 828 M CB 1.078 33.732 32.600 0.090 0.000 1.723 828 M HN -0.078 nan 8.290 nan 0.000 0.493 829 K N 1.633 122.060 120.400 0.044 0.000 2.472 829 K HA -0.011 4.309 4.320 0.001 0.000 0.280 829 K C 0.317 176.935 176.600 0.031 0.000 1.028 829 K CA 0.350 56.654 56.287 0.030 0.000 1.045 829 K CB 0.201 32.714 32.500 0.021 0.000 0.902 829 K HN 0.696 nan 8.250 nan 0.000 0.478 830 E N 1.724 121.937 120.200 0.021 0.000 2.118 830 E HA -0.192 4.159 4.350 0.001 0.000 0.195 830 E C -0.395 176.212 176.600 0.011 0.000 0.992 830 E CA 1.364 57.773 56.400 0.015 0.000 0.804 830 E CB 0.149 29.853 29.700 0.007 0.000 0.741 830 E HN 0.534 nan 8.360 nan 0.000 0.458 831 E N 0.508 120.714 120.200 0.011 0.000 2.259 831 E HA 0.153 4.503 4.350 0.001 0.000 0.281 831 E C -0.871 175.743 176.600 0.025 0.000 1.027 831 E CA -0.247 56.159 56.400 0.010 0.000 0.838 831 E CB 1.659 31.360 29.700 0.002 0.000 1.066 831 E HN -0.162 nan 8.360 nan 0.000 0.401 832 V N 5.432 125.367 119.914 0.035 0.000 2.479 832 V HA 0.126 4.246 4.120 0.001 0.000 0.281 832 V C -1.914 174.222 176.094 0.069 0.000 1.031 832 V CA -1.498 60.842 62.300 0.066 0.000 1.038 832 V CB 0.192 32.063 31.823 0.080 0.000 0.981 832 V HN 0.638 nan 8.190 nan 0.000 0.478 833 P HA 0.142 nan 4.420 nan 0.000 0.263 833 P C 0.473 177.821 177.300 0.080 0.000 1.195 833 P CA 0.358 63.473 63.100 0.025 0.000 0.762 833 P CB 0.400 32.089 31.700 -0.017 0.000 0.799 834 G N 2.976 111.774 108.800 -0.003 0.000 2.667 834 G HA2 0.022 3.982 3.960 0.001 0.000 0.250 834 G HA3 0.022 3.982 3.960 0.001 0.000 0.250 834 G C 0.950 175.893 174.900 0.073 0.000 1.212 834 G CA -0.657 44.459 45.100 0.026 0.000 0.874 834 G HN 0.732 nan 8.290 nan 0.000 0.561 835 W N -0.152 121.239 121.300 0.152 0.000 2.392 835 W HA -0.118 4.543 4.660 0.001 0.000 0.279 835 W C 1.384 178.021 176.519 0.197 0.000 1.225 835 W CA 0.875 58.362 57.345 0.236 0.000 1.233 835 W CB -0.519 29.050 29.460 0.181 0.000 1.122 835 W HN 0.532 nan 8.180 nan 0.000 0.561 836 Q N 1.173 120.509 119.800 -0.774 0.000 2.291 836 Q HA -0.187 4.153 4.340 0.001 0.000 0.206 836 Q C 2.136 177.988 176.000 -0.247 0.000 0.976 836 Q CA 2.128 57.492 55.803 -0.731 0.000 0.875 836 Q CB -0.484 27.716 28.738 -0.896 0.000 0.927 836 Q HN 0.532 nan 8.270 nan 0.000 0.450 837 E N -0.742 119.304 120.200 -0.257 0.000 2.152 837 E HA -0.158 4.192 4.350 0.001 0.000 0.192 837 E C 0.880 177.307 176.600 -0.290 0.000 0.983 837 E CA 0.822 57.027 56.400 -0.325 0.000 0.818 837 E CB 0.112 29.512 29.700 -0.500 0.000 0.758 837 E HN 0.542 nan 8.360 nan 0.000 0.467 838 Y N -1.538 118.841 120.300 0.132 0.000 2.476 838 Y HA 0.062 4.612 4.550 0.001 0.000 0.283 838 Y C 0.612 176.612 175.900 0.166 0.000 1.109 838 Y CA -0.329 57.861 58.100 0.152 0.000 1.246 838 Y CB 0.015 38.615 38.460 0.233 0.000 1.068 838 Y HN 0.011 nan 8.280 nan 0.000 0.552 839 Y N 2.577 123.025 120.300 0.247 0.000 2.578 839 Y HA -0.034 4.516 4.550 0.001 0.000 0.339 839 Y C 0.600 176.551 175.900 0.086 0.000 1.231 839 Y CA -0.902 57.326 58.100 0.213 0.000 1.461 839 Y CB 0.261 38.919 38.460 0.330 0.000 1.323 839 Y HN 0.015 nan 8.280 nan 0.000 0.590 840 D N 4.078 124.361 120.400 -0.196 0.000 2.586 840 D HA -0.115 4.526 4.640 0.001 0.000 0.234 840 D C -0.444 175.929 176.300 0.121 0.000 1.132 840 D CA 0.237 54.188 54.000 -0.081 0.000 0.860 840 D CB 0.507 41.176 40.800 -0.218 0.000 1.159 840 D HN 0.342 nan 8.370 nan 0.000 0.490 841 K N 4.089 124.520 120.400 0.052 0.000 2.034 841 K HA 0.135 4.456 4.320 0.001 0.000 0.225 841 K C -1.000 175.629 176.600 0.049 0.000 1.190 841 K CA -0.028 56.283 56.287 0.041 0.000 1.152 841 K CB -0.625 31.872 32.500 -0.004 0.000 1.300 841 K HN 0.294 nan 8.250 nan 0.000 0.268 842 L N 0.000 121.283 121.223 0.100 0.000 2.949 842 L HA 0.000 4.340 4.340 0.001 0.000 0.249 842 L CA 0.000 54.892 54.840 0.087 0.000 0.813 842 L CB 0.000 42.138 42.059 0.131 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502