REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3b78_1_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 0.000 175.907 176.094 -0.312 0.000 1.182 2 V CA 0.000 62.191 62.300 -0.181 0.000 1.235 2 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 3 A N 3.804 126.372 122.820 -0.419 0.000 2.306 3 A HA 1.003 5.323 4.320 0.001 0.000 0.314 3 A C -1.022 176.178 177.584 -0.639 0.000 1.164 3 A CA -0.171 51.659 52.037 -0.345 0.000 0.822 3 A CB 0.895 19.778 19.000 -0.194 0.000 1.130 3 A HN 0.597 nan 8.150 nan 0.000 0.496 4 F N -0.513 119.391 119.950 -0.078 0.000 2.640 4 F HA 0.573 5.101 4.527 0.001 0.000 0.324 4 F C 0.982 176.745 175.800 -0.062 0.000 1.077 4 F CA -0.249 57.697 58.000 -0.091 0.000 0.965 4 F CB 2.379 41.306 39.000 -0.123 0.000 1.351 4 F HN 0.698 nan 8.300 nan 0.000 0.487 5 T N -2.071 112.582 114.554 0.165 0.000 2.881 5 T HA 0.338 4.688 4.350 0.001 0.000 0.278 5 T C 0.782 175.516 174.700 0.058 0.000 0.982 5 T CA -0.712 61.431 62.100 0.072 0.000 0.989 5 T CB 1.263 70.155 68.868 0.041 0.000 1.058 5 T HN 0.322 nan 8.240 nan 0.000 0.529 6 V N 0.964 120.894 119.914 0.027 0.000 2.720 6 V HA -0.100 4.020 4.120 0.001 0.000 0.256 6 V C 2.080 178.172 176.094 -0.003 0.000 1.082 6 V CA 1.691 63.998 62.300 0.011 0.000 1.101 6 V CB -0.905 30.919 31.823 0.003 0.000 0.693 6 V HN 0.819 nan 8.190 nan 0.000 0.479 7 D N -0.335 120.065 120.400 0.001 0.000 2.149 7 D HA -0.094 4.547 4.640 0.001 0.000 0.206 7 D C 2.334 178.619 176.300 -0.025 0.000 0.967 7 D CA 0.902 54.895 54.000 -0.011 0.000 0.848 7 D CB -0.116 40.681 40.800 -0.005 0.000 0.998 7 D HN 0.465 nan 8.370 nan 0.000 0.474 8 Q N -0.180 119.614 119.800 -0.009 0.000 2.061 8 Q HA -0.121 4.219 4.340 0.001 0.000 0.204 8 Q C 2.222 178.123 176.000 -0.166 0.000 0.984 8 Q CA 1.065 56.833 55.803 -0.059 0.000 0.846 8 Q CB -0.015 28.760 28.738 0.060 0.000 0.902 8 Q HN 0.227 nan 8.270 nan 0.000 0.421 9 M N -0.017 119.506 119.600 -0.129 0.000 2.086 9 M HA -0.160 4.321 4.480 0.001 0.000 0.261 9 M C 2.214 178.455 176.300 -0.099 0.000 1.067 9 M CA 1.446 56.663 55.300 -0.139 0.000 1.116 9 M CB -0.787 31.777 32.600 -0.060 0.000 1.348 9 M HN 0.073 nan 8.290 nan 0.000 0.407 10 R N 0.470 120.931 120.500 -0.065 0.000 2.094 10 R HA -0.120 4.220 4.340 0.001 0.000 0.239 10 R C 2.393 178.655 176.300 -0.063 0.000 1.137 10 R CA 2.419 58.486 56.100 -0.054 0.000 0.943 10 R CB -1.120 29.156 30.300 -0.039 0.000 0.850 10 R HN 0.321 nan 8.270 nan 0.000 0.433 11 S N -0.618 115.041 115.700 -0.068 0.000 2.400 11 S HA -0.113 4.357 4.470 0.001 0.000 0.232 11 S C 1.711 176.260 174.600 -0.085 0.000 1.025 11 S CA 1.275 59.434 58.200 -0.069 0.000 0.993 11 S CB -0.359 62.802 63.200 -0.064 0.000 0.808 11 S HN 0.360 nan 8.310 nan 0.000 0.478 12 L N 1.343 122.500 121.223 -0.110 0.000 2.156 12 L HA 0.237 4.577 4.340 0.001 0.000 0.208 12 L C 2.139 178.954 176.870 -0.091 0.000 1.095 12 L CA 1.608 56.378 54.840 -0.116 0.000 0.770 12 L CB -0.596 41.370 42.059 -0.155 0.000 0.914 12 L HN 0.380 nan 8.230 nan 0.000 0.439 13 M N -1.123 118.430 119.600 -0.079 0.000 2.460 13 M HA -0.137 4.343 4.480 0.001 0.000 0.263 13 M C 1.278 177.540 176.300 -0.062 0.000 1.071 13 M CA 0.917 56.178 55.300 -0.065 0.000 1.096 13 M CB -0.463 32.101 32.600 -0.059 0.000 1.408 13 M HN 0.192 nan 8.290 nan 0.000 0.463 14 D N 0.988 121.350 120.400 -0.063 0.000 2.149 14 D HA -0.037 4.603 4.640 0.001 0.000 0.201 14 D C 0.568 176.831 176.300 -0.060 0.000 0.972 14 D CA 1.108 55.074 54.000 -0.057 0.000 0.835 14 D CB -0.057 40.711 40.800 -0.053 0.000 0.966 14 D HN 0.159 nan 8.370 nan 0.000 0.476 15 K N 1.421 121.776 120.400 -0.075 0.000 2.121 15 K HA 0.041 4.362 4.320 0.001 0.000 0.235 15 K C 1.346 177.902 176.600 -0.074 0.000 1.200 15 K CA -0.129 56.107 56.287 -0.085 0.000 1.115 15 K CB 0.169 32.593 32.500 -0.126 0.000 1.474 15 K HN -0.035 nan 8.250 nan 0.000 0.295 16 V N -1.318 118.564 119.914 -0.054 0.000 2.720 16 V HA -0.225 3.895 4.120 0.001 0.000 0.256 16 V C 1.676 177.756 176.094 -0.023 0.000 1.082 16 V CA 1.945 64.220 62.300 -0.041 0.000 1.101 16 V CB -1.138 30.661 31.823 -0.040 0.000 0.693 16 V HN 0.636 nan 8.190 nan 0.000 0.479 17 T N -2.614 111.925 114.554 -0.026 0.000 3.118 17 T HA 0.063 4.413 4.350 0.001 0.000 0.260 17 T C 1.062 175.779 174.700 0.029 0.000 1.139 17 T CA 1.072 63.174 62.100 0.003 0.000 1.085 17 T CB -0.561 68.304 68.868 -0.004 0.000 0.934 17 T HN 0.510 nan 8.240 nan 0.000 0.518 18 N N 0.574 119.255 118.700 -0.032 0.000 2.235 18 N HA 0.318 5.059 4.740 0.001 0.000 0.231 18 N C -0.950 174.616 175.510 0.093 0.000 1.177 18 N CA -0.177 52.834 53.050 -0.064 0.000 0.874 18 N CB 1.094 39.279 38.487 -0.503 0.000 1.097 18 N HN 0.269 nan 8.380 nan 0.000 0.518 19 V N 1.129 121.090 119.914 0.078 0.000 2.532 19 V HA 0.495 4.615 4.120 0.001 0.000 0.295 19 V C 0.009 176.153 176.094 0.083 0.000 1.041 19 V CA -0.752 61.589 62.300 0.068 0.000 0.926 19 V CB 1.847 33.675 31.823 0.008 0.000 0.992 19 V HN 0.045 nan 8.190 nan 0.000 0.457 20 R N 3.267 123.813 120.500 0.076 0.000 2.435 20 R HA 0.452 4.792 4.340 0.001 0.000 0.308 20 R C -1.182 175.142 176.300 0.040 0.000 0.975 20 R CA -0.610 55.522 56.100 0.054 0.000 0.867 20 R CB 1.332 31.659 30.300 0.045 0.000 1.171 20 R HN 0.614 nan 8.270 nan 0.000 0.470 21 N N 4.157 122.875 118.700 0.030 0.000 2.425 21 N HA 0.531 5.272 4.740 0.001 0.000 0.268 21 N C -0.148 175.386 175.510 0.041 0.000 0.991 21 N CA -0.537 52.533 53.050 0.034 0.000 0.931 21 N CB 1.577 40.072 38.487 0.013 0.000 1.130 21 N HN 0.385 nan 8.380 nan 0.000 0.493 22 M N -1.045 118.584 119.600 0.049 0.000 2.833 22 M HA 0.597 5.078 4.480 0.001 0.000 0.270 22 M C -0.507 175.819 176.300 0.044 0.000 1.209 22 M CA -0.908 54.417 55.300 0.042 0.000 0.826 22 M CB 1.122 33.736 32.600 0.025 0.000 1.657 22 M HN 0.144 nan 8.290 nan 0.000 0.492 23 S N -0.528 115.193 115.700 0.034 0.000 2.810 23 S HA 0.977 5.447 4.470 0.001 0.000 0.315 23 S C -1.632 172.975 174.600 0.010 0.000 1.138 23 S CA -0.638 57.578 58.200 0.027 0.000 0.889 23 S CB 1.851 65.072 63.200 0.036 0.000 1.236 23 S HN 0.808 nan 8.310 nan 0.000 0.548 24 V N 2.661 122.578 119.914 0.005 0.000 2.326 24 V HA 0.468 4.589 4.120 0.001 0.000 0.281 24 V C -0.623 175.474 176.094 0.005 0.000 1.015 24 V CA -0.436 61.863 62.300 -0.002 0.000 0.823 24 V CB 0.919 32.737 31.823 -0.009 0.000 1.009 24 V HN 0.683 nan 8.190 nan 0.000 0.436 25 I N 5.010 125.582 120.570 0.005 0.000 2.294 25 I HA 0.674 4.844 4.170 0.001 0.000 0.295 25 I C 0.457 176.593 176.117 0.031 0.000 1.098 25 I CA 0.261 61.572 61.300 0.017 0.000 1.277 25 I CB 0.590 38.595 38.000 0.008 0.000 1.434 25 I HN 0.732 nan 8.210 nan 0.000 0.498 26 A N 5.600 128.453 122.820 0.056 0.000 2.594 26 A HA 0.354 4.675 4.320 0.001 0.000 0.296 26 A C -1.120 176.546 177.584 0.137 0.000 1.056 26 A CA -0.657 51.447 52.037 0.112 0.000 0.693 26 A CB 1.239 20.290 19.000 0.086 0.000 1.278 26 A HN 0.686 nan 8.150 nan 0.000 0.408 27 H N 1.644 120.804 119.070 0.150 0.000 2.629 27 H HA 0.264 4.821 4.556 0.001 0.000 0.357 27 H C 1.601 176.880 175.328 -0.082 0.000 1.121 27 H CA 0.959 57.009 56.048 0.003 0.000 1.406 27 H CB 1.686 31.393 29.762 -0.092 0.000 1.456 27 H HN 0.880 nan 8.280 nan 0.000 0.579 28 V N 1.221 120.731 119.914 -0.673 0.000 2.828 28 V HA -0.146 3.974 4.120 0.001 0.000 0.260 28 V C 0.599 176.562 176.094 -0.218 0.000 1.101 28 V CA 1.852 63.915 62.300 -0.396 0.000 1.123 28 V CB -0.173 31.391 31.823 -0.431 0.000 0.704 28 V HN 0.599 nan 8.190 nan 0.000 0.493 29 D N -0.639 119.694 120.400 -0.112 0.000 2.427 29 D HA 0.146 4.787 4.640 0.001 0.000 0.224 29 D C 0.759 177.028 176.300 -0.053 0.000 1.157 29 D CA 0.157 54.160 54.000 0.005 0.000 0.828 29 D CB -0.136 40.719 40.800 0.092 0.000 0.974 29 D HN 0.580 nan 8.370 nan 0.000 0.498 30 H N -0.391 118.767 119.070 0.146 0.000 2.486 30 H HA 0.308 4.864 4.556 0.001 0.000 0.284 30 H C 1.298 176.649 175.328 0.038 0.000 1.103 30 H CA -0.050 56.049 56.048 0.085 0.000 1.089 30 H CB 0.540 30.352 29.762 0.083 0.000 1.603 30 H HN 0.125 nan 8.280 nan 0.000 0.557 31 G N 2.006 110.873 108.800 0.111 0.000 2.221 31 G HA2 -0.387 3.574 3.960 0.001 0.000 0.265 31 G HA3 -0.387 3.574 3.960 0.001 0.000 0.265 31 G C 1.397 176.318 174.900 0.036 0.000 1.041 31 G CA 0.916 46.051 45.100 0.057 0.000 0.807 31 G HN 0.478 nan 8.290 nan 0.000 0.502 32 K N 0.525 120.946 120.400 0.036 0.000 1.985 32 K HA -0.145 4.176 4.320 0.001 0.000 0.210 32 K C 2.881 179.476 176.600 -0.008 0.000 1.047 32 K CA 2.247 58.542 56.287 0.013 0.000 0.932 32 K CB -0.345 32.155 32.500 0.001 0.000 0.716 32 K HN 0.721 nan 8.250 nan 0.000 0.439 33 S N -0.396 115.293 115.700 -0.018 0.000 2.423 33 S HA -0.082 4.388 4.470 0.001 0.000 0.231 33 S C 1.841 176.434 174.600 -0.011 0.000 1.014 33 S CA 1.496 59.683 58.200 -0.022 0.000 0.965 33 S CB -0.508 62.673 63.200 -0.031 0.000 0.785 33 S HN 0.369 nan 8.310 nan 0.000 0.495 34 T N 2.608 117.160 114.554 -0.004 0.000 2.951 34 T HA 0.217 4.567 4.350 0.001 0.000 0.268 34 T C 1.654 176.354 174.700 -0.001 0.000 1.073 34 T CA 0.890 62.992 62.100 0.003 0.000 1.134 34 T CB -0.331 68.545 68.868 0.012 0.000 0.884 34 T HN 0.295 nan 8.240 nan 0.000 0.479 35 L N 1.341 122.559 121.223 -0.009 0.000 2.095 35 L HA -0.040 4.300 4.340 0.001 0.000 0.204 35 L C 3.151 180.013 176.870 -0.014 0.000 1.080 35 L CA 1.463 56.291 54.840 -0.020 0.000 0.759 35 L CB -1.032 41.006 42.059 -0.035 0.000 0.914 35 L HN 0.419 nan 8.230 nan 0.000 0.439 36 T N -3.652 110.895 114.554 -0.011 0.000 2.746 36 T HA -0.196 4.155 4.350 0.001 0.000 0.267 36 T C 1.424 176.125 174.700 0.002 0.000 1.039 36 T CA 1.377 63.473 62.100 -0.007 0.000 1.142 36 T CB -0.415 68.447 68.868 -0.011 0.000 0.866 36 T HN 0.174 nan 8.240 nan 0.000 0.444 37 D N 0.915 121.317 120.400 0.003 0.000 2.309 37 D HA -0.017 4.624 4.640 0.001 0.000 0.212 37 D C 2.250 178.562 176.300 0.019 0.000 0.968 37 D CA 0.857 54.863 54.000 0.010 0.000 0.882 37 D CB -0.385 40.420 40.800 0.009 0.000 0.918 37 D HN 0.479 nan 8.370 nan 0.000 0.503 38 S N -0.193 115.517 115.700 0.016 0.000 2.345 38 S HA -0.071 4.400 4.470 0.001 0.000 0.219 38 S C 1.863 176.479 174.600 0.026 0.000 1.031 38 S CA 0.444 58.658 58.200 0.023 0.000 0.984 38 S CB -0.055 63.155 63.200 0.016 0.000 0.874 38 S HN 0.046 nan 8.310 nan 0.000 0.451 39 L N 1.409 122.643 121.223 0.018 0.000 2.275 39 L HA 0.024 4.364 4.340 0.001 0.000 0.215 39 L C 2.242 179.137 176.870 0.041 0.000 1.119 39 L CA 0.808 55.663 54.840 0.024 0.000 0.790 39 L CB -0.616 41.451 42.059 0.014 0.000 0.919 39 L HN 0.196 nan 8.230 nan 0.000 0.443 40 V N -1.213 118.724 119.914 0.038 0.000 2.488 40 V HA -0.191 3.930 4.120 0.001 0.000 0.246 40 V C 1.960 178.086 176.094 0.053 0.000 1.046 40 V CA 1.183 63.512 62.300 0.048 0.000 1.053 40 V CB -0.455 31.391 31.823 0.038 0.000 0.679 40 V HN 0.485 nan 8.190 nan 0.000 0.458 41 Q N -0.577 119.251 119.800 0.045 0.000 2.329 41 Q HA 0.010 4.351 4.340 0.001 0.000 0.208 41 Q C 1.847 177.877 176.000 0.050 0.000 0.934 41 Q CA 0.278 56.109 55.803 0.046 0.000 0.951 41 Q CB 0.212 28.974 28.738 0.040 0.000 1.017 41 Q HN 0.434 nan 8.270 nan 0.000 0.490 42 R N -0.507 120.028 120.500 0.057 0.000 3.275 42 R HA 0.220 4.560 4.340 0.001 0.000 0.154 42 R C 0.816 177.168 176.300 0.087 0.000 0.843 42 R CA 1.073 57.210 56.100 0.062 0.000 1.027 42 R CB -0.456 29.874 30.300 0.051 0.000 1.423 42 R HN -0.017 nan 8.270 nan 0.000 0.530 43 A N 0.696 123.574 122.820 0.097 0.000 2.423 43 A HA 0.451 4.772 4.320 0.001 0.000 0.246 43 A C 0.691 178.376 177.584 0.168 0.000 1.278 43 A CA 0.039 52.166 52.037 0.150 0.000 0.903 43 A CB -0.424 18.652 19.000 0.126 0.000 0.997 43 A HN 0.389 nan 8.150 nan 0.000 0.510 44 G N 0.550 109.424 108.800 0.123 0.000 2.265 44 G HA2 0.365 4.326 3.960 0.001 0.000 0.240 44 G HA3 0.365 4.326 3.960 0.001 0.000 0.240 44 G C -0.174 174.811 174.900 0.142 0.000 1.270 44 G CA 0.207 45.377 45.100 0.117 0.000 0.901 44 G HN 0.153 nan 8.290 nan 0.000 0.507 45 I N 3.360 124.025 120.570 0.159 0.000 2.355 45 I HA 0.343 4.513 4.170 0.001 0.000 0.288 45 I C 0.017 176.222 176.117 0.146 0.000 0.999 45 I CA -1.015 60.401 61.300 0.192 0.000 1.163 45 I CB 1.027 39.172 38.000 0.242 0.000 1.316 45 I HN 0.207 nan 8.210 nan 0.000 0.454 46 I N 4.621 125.251 120.570 0.100 0.000 2.707 46 I HA 0.424 4.594 4.170 0.001 0.000 0.309 46 I C 1.018 177.168 176.117 0.054 0.000 1.001 46 I CA -0.266 61.073 61.300 0.065 0.000 1.129 46 I CB 1.464 39.472 38.000 0.014 0.000 1.308 46 I HN 0.621 nan 8.210 nan 0.000 0.466 47 S N 2.717 118.438 115.700 0.034 0.000 2.632 47 S HA 0.778 5.248 4.470 0.001 0.000 0.267 47 S C 0.466 175.054 174.600 -0.019 0.000 1.193 47 S CA -0.459 57.756 58.200 0.026 0.000 1.003 47 S CB 0.429 63.639 63.200 0.017 0.000 1.073 47 S HN 0.866 nan 8.310 nan 0.000 0.553 68 I N 2.691 123.335 120.570 0.124 0.000 2.474 68 I HA 0.519 4.690 4.170 0.001 0.000 0.294 68 I C 0.104 176.326 176.117 0.175 0.000 1.005 68 I CA -0.688 60.690 61.300 0.130 0.000 1.113 68 I CB 1.255 39.346 38.000 0.152 0.000 1.289 68 I HN 0.132 nan 8.210 nan 0.000 0.436 69 T N 4.922 119.536 114.554 0.101 0.000 2.823 69 T HA 0.837 5.187 4.350 0.001 0.000 0.279 69 T C -0.165 174.498 174.700 -0.062 0.000 0.998 69 T CA -0.636 61.485 62.100 0.034 0.000 0.994 69 T CB 1.879 70.745 68.868 -0.003 0.000 0.960 69 T HN 0.530 nan 8.240 nan 0.000 0.448 70 I N -0.870 119.643 120.570 -0.095 0.000 3.436 70 I HA 0.657 4.827 4.170 0.001 0.000 0.296 70 I C -0.245 175.788 176.117 -0.139 0.000 1.143 70 I CA -1.661 59.574 61.300 -0.108 0.000 1.009 70 I CB 1.791 39.775 38.000 -0.026 0.000 1.301 70 I HN 0.569 nan 8.210 nan 0.000 0.503 71 K N 1.679 122.010 120.400 -0.115 0.000 2.322 71 K HA 0.209 4.529 4.320 0.001 0.000 0.283 71 K C -0.410 176.116 176.600 -0.123 0.000 1.042 71 K CA -0.194 56.023 56.287 -0.117 0.000 0.958 71 K CB 0.817 33.262 32.500 -0.092 0.000 0.984 71 K HN 0.718 nan 8.250 nan 0.000 0.473 72 S N 3.269 118.887 115.700 -0.138 0.000 2.519 72 S HA -0.007 4.464 4.470 0.001 0.000 0.310 72 S C 0.609 175.127 174.600 -0.136 0.000 1.201 72 S CA -0.191 57.932 58.200 -0.128 0.000 1.179 72 S CB 0.453 63.580 63.200 -0.121 0.000 1.104 72 S HN 0.663 nan 8.310 nan 0.000 0.527 73 T N 1.907 116.365 114.554 -0.161 0.000 3.018 73 T HA 0.403 4.753 4.350 0.001 0.000 0.246 73 T C 0.578 175.124 174.700 -0.256 0.000 1.026 73 T CA 0.399 62.330 62.100 -0.283 0.000 1.081 73 T CB 0.326 68.900 68.868 -0.491 0.000 0.970 73 T HN 0.640 nan 8.240 nan 0.000 0.475 74 A N 1.165 123.917 122.820 -0.112 0.000 2.455 74 A HA 0.701 5.022 4.320 0.001 0.000 0.300 74 A C -1.498 176.115 177.584 0.049 0.000 1.040 74 A CA -0.669 51.376 52.037 0.012 0.000 0.697 74 A CB 1.262 20.373 19.000 0.185 0.000 1.265 74 A HN 0.167 nan 8.150 nan 0.000 0.407 75 I N 1.385 121.987 120.570 0.054 0.000 2.474 75 I HA 0.427 4.597 4.170 0.001 0.000 0.294 75 I C 0.152 176.320 176.117 0.084 0.000 1.005 75 I CA -0.370 60.968 61.300 0.064 0.000 1.113 75 I CB 1.786 39.814 38.000 0.046 0.000 1.289 75 I HN 0.558 nan 8.210 nan 0.000 0.436 76 S N 6.258 122.017 115.700 0.099 0.000 2.457 76 S HA 0.675 5.146 4.470 0.001 0.000 0.289 76 S C -0.232 174.445 174.600 0.129 0.000 1.163 76 S CA -0.471 57.794 58.200 0.108 0.000 1.078 76 S CB 1.058 64.323 63.200 0.109 0.000 0.987 76 S HN 0.250 nan 8.310 nan 0.000 0.482 77 L N 2.833 124.135 121.223 0.132 0.000 2.303 77 L HA 0.629 4.970 4.340 0.001 0.000 0.266 77 L C -0.830 176.178 176.870 0.230 0.000 1.011 77 L CA -0.735 54.201 54.840 0.160 0.000 0.818 77 L CB 0.989 43.111 42.059 0.105 0.000 1.326 77 L HN 0.701 nan 8.230 nan 0.000 0.435 78 Y N 0.493 120.858 120.300 0.109 0.000 2.361 78 Y HA 0.667 5.217 4.550 0.001 0.000 0.328 78 Y C -0.890 175.087 175.900 0.129 0.000 1.044 78 Y CA -0.416 57.757 58.100 0.121 0.000 1.085 78 Y CB 1.924 40.492 38.460 0.181 0.000 1.194 78 Y HN 0.534 nan 8.280 nan 0.000 0.438 79 S N 4.997 120.447 115.700 -0.416 0.000 2.536 79 S HA 0.482 4.952 4.470 0.001 0.000 0.287 79 S C -1.636 172.733 174.600 -0.384 0.000 1.101 79 S CA -0.640 57.359 58.200 -0.336 0.000 0.950 79 S CB 1.341 64.452 63.200 -0.149 0.000 1.056 79 S HN 0.813 nan 8.310 nan 0.000 0.481 80 E N 4.891 124.933 120.200 -0.264 0.000 2.176 80 E HA 0.444 4.795 4.350 0.001 0.000 0.267 80 E C -0.369 176.240 176.600 0.016 0.000 0.893 80 E CA -0.740 55.604 56.400 -0.092 0.000 0.761 80 E CB 0.821 30.480 29.700 -0.069 0.000 1.133 80 E HN 0.574 nan 8.360 nan 0.000 0.409 81 M N 1.198 120.869 119.600 0.119 0.000 2.544 81 M HA 0.398 4.879 4.480 0.001 0.000 0.239 81 M C 0.479 176.816 176.300 0.063 0.000 1.030 81 M CA -0.682 54.659 55.300 0.069 0.000 1.193 81 M CB 0.535 33.188 32.600 0.088 0.000 1.346 81 M HN 0.600 nan 8.290 nan 0.000 0.651 82 S N -1.181 114.545 115.700 0.044 0.000 2.677 82 S HA 0.390 4.860 4.470 0.001 0.000 0.304 82 S C -0.071 174.550 174.600 0.035 0.000 1.108 82 S CA -0.703 57.516 58.200 0.032 0.000 0.944 82 S CB 1.315 64.523 63.200 0.013 0.000 1.127 82 S HN 0.504 nan 8.310 nan 0.000 0.511 83 D N 0.746 121.160 120.400 0.024 0.000 2.265 83 D HA -0.052 4.589 4.640 0.001 0.000 0.208 83 D C 1.486 177.795 176.300 0.016 0.000 0.977 83 D CA 1.200 55.211 54.000 0.020 0.000 0.871 83 D CB 0.048 40.855 40.800 0.012 0.000 0.925 83 D HN 0.546 nan 8.370 nan 0.000 0.485 84 E N 0.302 120.508 120.200 0.011 0.000 2.140 84 E HA -0.051 4.299 4.350 0.001 0.000 0.191 84 E C 1.333 177.932 176.600 -0.001 0.000 0.973 84 E CA 0.540 56.942 56.400 0.003 0.000 0.829 84 E CB -0.134 29.566 29.700 -0.001 0.000 0.781 84 E HN 0.329 nan 8.360 nan 0.000 0.466 85 D N 0.730 121.129 120.400 -0.002 0.000 2.219 85 D HA -0.075 4.565 4.640 0.001 0.000 0.205 85 D C 1.896 178.194 176.300 -0.003 0.000 0.970 85 D CA 0.458 54.446 54.000 -0.020 0.000 0.851 85 D CB 0.136 40.917 40.800 -0.031 0.000 0.943 85 D HN 0.001 nan 8.370 nan 0.000 0.488 86 V N 0.780 120.719 119.914 0.042 0.000 3.041 86 V HA -0.082 4.039 4.120 0.001 0.000 0.260 86 V C 2.155 178.273 176.094 0.040 0.000 1.105 86 V CA 1.023 63.371 62.300 0.080 0.000 1.125 86 V CB -0.111 31.768 31.823 0.094 0.000 0.730 86 V HN 0.047 nan 8.190 nan 0.000 0.479 87 K N -0.084 120.326 120.400 0.017 0.000 2.323 87 K HA 0.073 4.394 4.320 0.001 0.000 0.197 87 K C 1.953 178.550 176.600 -0.005 0.000 1.043 87 K CA 0.462 56.753 56.287 0.007 0.000 0.997 87 K CB 0.159 32.661 32.500 0.004 0.000 0.807 87 K HN 0.543 nan 8.250 nan 0.000 0.497 88 E N 0.746 120.935 120.200 -0.018 0.000 2.047 88 E HA -0.032 4.318 4.350 0.001 0.000 0.191 88 E C 0.419 176.992 176.600 -0.044 0.000 0.987 88 E CA 0.353 56.732 56.400 -0.034 0.000 0.799 88 E CB -0.052 29.617 29.700 -0.051 0.000 0.752 88 E HN 0.188 nan 8.360 nan 0.000 0.449 89 I N 3.190 123.725 120.570 -0.059 0.000 2.907 89 I HA -0.117 4.053 4.170 0.001 0.000 0.285 89 I C 1.453 177.558 176.117 -0.020 0.000 1.189 89 I CA -0.105 61.156 61.300 -0.065 0.000 1.376 89 I CB 0.220 38.181 38.000 -0.065 0.000 1.420 89 I HN -0.027 nan 8.210 nan 0.000 0.544 90 K N 5.605 125.996 120.400 -0.014 0.000 2.218 90 K HA -0.196 4.124 4.320 0.001 0.000 0.205 90 K C 0.962 177.571 176.600 0.015 0.000 1.046 90 K CA 1.293 57.582 56.287 0.004 0.000 0.933 90 K CB -0.048 32.458 32.500 0.011 0.000 0.728 90 K HN 0.668 nan 8.250 nan 0.000 0.454 91 Q N 0.963 120.774 119.800 0.019 0.000 2.421 91 Q HA -0.020 4.321 4.340 0.001 0.000 0.255 91 Q C -0.786 175.236 176.000 0.037 0.000 1.013 91 Q CA -0.127 55.696 55.803 0.034 0.000 0.895 91 Q CB 0.611 29.375 28.738 0.043 0.000 1.271 91 Q HN 0.076 nan 8.270 nan 0.000 0.460 92 K N 2.522 122.945 120.400 0.038 0.000 2.316 92 K HA 0.140 4.460 4.320 0.001 0.000 0.289 92 K C -0.823 175.801 176.600 0.041 0.000 1.070 92 K CA 0.024 56.331 56.287 0.032 0.000 0.928 92 K CB 0.385 32.898 32.500 0.023 0.000 1.039 92 K HN 0.732 nan 8.250 nan 0.000 0.480 93 T N 0.204 114.784 114.554 0.044 0.000 2.807 93 T HA 0.389 4.739 4.350 0.001 0.000 0.277 93 T C -0.991 173.703 174.700 -0.010 0.000 1.006 93 T CA -0.884 61.243 62.100 0.044 0.000 1.006 93 T CB 1.604 70.553 68.868 0.135 0.000 1.274 93 T HN 0.498 nan 8.240 nan 0.000 0.569 94 D N -1.083 119.275 120.400 -0.071 0.000 2.318 94 D HA 0.520 5.160 4.640 0.001 0.000 0.233 94 D C 0.133 176.337 176.300 -0.161 0.000 1.348 94 D CA 1.011 54.957 54.000 -0.090 0.000 0.983 94 D CB 0.473 41.228 40.800 -0.074 0.000 1.416 94 D HN 1.236 nan 8.370 nan 0.000 0.558 95 G N 2.855 111.573 108.800 -0.137 0.000 2.466 95 G HA2 -0.161 3.799 3.960 0.001 0.000 0.316 95 G HA3 -0.161 3.799 3.960 0.001 0.000 0.316 95 G C 0.085 174.864 174.900 -0.201 0.000 1.270 95 G CA -0.271 44.733 45.100 -0.160 0.000 0.982 95 G HN 0.386 nan 8.290 nan 0.000 0.506 96 N N -0.428 118.164 118.700 -0.180 0.000 2.257 96 N HA 0.208 4.949 4.740 0.001 0.000 0.200 96 N C 0.646 176.048 175.510 -0.180 0.000 1.163 96 N CA 0.718 53.713 53.050 -0.092 0.000 0.891 96 N CB 0.714 39.208 38.487 0.012 0.000 1.067 96 N HN 0.511 nan 8.380 nan 0.000 0.497 97 S N 0.824 116.364 115.700 -0.267 0.000 2.545 97 S HA 0.434 4.904 4.470 0.001 0.000 0.275 97 S C -0.600 173.706 174.600 -0.490 0.000 1.299 97 S CA -0.148 57.938 58.200 -0.189 0.000 1.048 97 S CB 0.352 63.624 63.200 0.120 0.000 0.938 97 S HN 0.053 nan 8.310 nan 0.000 0.496 98 F N 2.096 121.938 119.950 -0.181 0.000 2.536 98 F HA 0.431 4.959 4.527 0.001 0.000 0.322 98 F C -0.278 175.496 175.800 -0.044 0.000 1.144 98 F CA -0.955 56.980 58.000 -0.108 0.000 0.924 98 F CB 1.234 40.153 39.000 -0.135 0.000 1.181 98 F HN 0.329 nan 8.300 nan 0.000 0.438 99 L N 5.201 126.507 121.223 0.139 0.000 2.326 99 L HA 0.604 4.945 4.340 0.001 0.000 0.278 99 L C -0.772 176.163 176.870 0.108 0.000 1.092 99 L CA -0.168 54.738 54.840 0.110 0.000 0.810 99 L CB 0.538 42.623 42.059 0.043 0.000 1.153 99 L HN 0.466 nan 8.230 nan 0.000 0.439 100 I N 5.240 125.870 120.570 0.098 0.000 2.439 100 I HA 0.321 4.492 4.170 0.001 0.000 0.283 100 I C -0.590 175.571 176.117 0.073 0.000 1.023 100 I CA -0.461 60.885 61.300 0.077 0.000 1.100 100 I CB 1.142 39.182 38.000 0.066 0.000 1.238 100 I HN 0.577 nan 8.210 nan 0.000 0.445 101 N N 6.642 125.381 118.700 0.066 0.000 2.420 101 N HA 0.242 4.983 4.740 0.001 0.000 0.249 101 N C -0.816 174.742 175.510 0.080 0.000 1.033 101 N CA -0.643 52.455 53.050 0.080 0.000 0.944 101 N CB 2.360 40.894 38.487 0.079 0.000 1.113 101 N HN 0.330 nan 8.380 nan 0.000 0.502 102 L N 5.120 126.389 121.223 0.077 0.000 2.352 102 L HA 0.377 4.718 4.340 0.001 0.000 0.272 102 L C -0.812 176.088 176.870 0.051 0.000 1.109 102 L CA -0.557 54.315 54.840 0.054 0.000 0.952 102 L CB -0.171 41.910 42.059 0.037 0.000 1.314 102 L HN 0.344 nan 8.230 nan 0.000 0.427 103 I N 3.641 124.254 120.570 0.070 0.000 2.505 103 I HA 0.088 4.258 4.170 0.001 0.000 0.287 103 I C 0.637 176.747 176.117 -0.012 0.000 1.104 103 I CA 0.163 61.496 61.300 0.055 0.000 1.387 103 I CB 0.149 38.231 38.000 0.137 0.000 1.404 103 I HN 0.515 nan 8.210 nan 0.000 0.528 104 D N 4.330 124.681 120.400 -0.082 0.000 2.423 104 D HA 0.095 4.735 4.640 0.001 0.000 0.238 104 D C -0.283 175.978 176.300 -0.065 0.000 1.142 104 D CA 0.411 54.359 54.000 -0.086 0.000 0.884 104 D CB 0.775 41.495 40.800 -0.132 0.000 1.199 104 D HN 0.435 nan 8.370 nan 0.000 0.438 105 S N 2.068 117.736 115.700 -0.054 0.000 2.521 105 S HA 0.623 5.093 4.470 0.001 0.000 0.295 105 S C -2.606 171.952 174.600 -0.069 0.000 1.098 105 S CA -1.439 56.739 58.200 -0.036 0.000 0.999 105 S CB 1.156 64.353 63.200 -0.005 0.000 1.034 105 S HN 0.248 nan 8.310 nan 0.000 0.483 106 P HA 0.201 nan 4.420 nan 0.000 0.270 106 P C 0.882 178.135 177.300 -0.078 0.000 1.227 106 P CA -0.147 62.848 63.100 -0.176 0.000 0.788 106 P CB 0.253 31.836 31.700 -0.195 0.000 0.926 107 G N 0.222 108.970 108.800 -0.086 0.000 2.499 107 G HA2 -0.082 3.878 3.960 0.001 0.000 0.213 107 G HA3 -0.082 3.878 3.960 0.001 0.000 0.213 107 G C -0.048 174.857 174.900 0.009 0.000 1.230 107 G CA 0.546 45.615 45.100 -0.052 0.000 0.813 107 G HN 0.556 nan 8.290 nan 0.000 0.542 108 H N -1.073 118.165 119.070 0.279 0.000 2.615 108 H HA 0.339 4.896 4.556 0.001 0.000 0.363 108 H C 1.232 176.767 175.328 0.345 0.000 1.148 108 H CA -0.356 55.868 56.048 0.293 0.000 1.401 108 H CB 1.983 31.906 29.762 0.269 0.000 1.461 108 H HN -0.068 nan 8.280 nan 0.000 0.588 109 V N 1.369 121.464 119.914 0.301 0.000 3.306 109 V HA -0.134 3.986 4.120 0.001 0.000 0.264 109 V C 1.007 177.209 176.094 0.179 0.000 1.149 109 V CA 1.008 63.450 62.300 0.237 0.000 1.143 109 V CB -0.274 31.652 31.823 0.171 0.000 0.767 109 V HN 0.770 nan 8.190 nan 0.000 0.476 110 D N 0.786 121.237 120.400 0.085 0.000 2.311 110 D HA -0.141 4.500 4.640 0.001 0.000 0.212 110 D C 1.091 177.259 176.300 -0.219 0.000 0.972 110 D CA 1.167 55.083 54.000 -0.139 0.000 0.887 110 D CB -0.245 40.370 40.800 -0.309 0.000 0.915 110 D HN 0.516 nan 8.370 nan 0.000 0.497 111 F N 0.924 120.932 119.950 0.097 0.000 2.869 111 F HA 0.121 4.648 4.527 0.001 0.000 0.298 111 F C 1.900 177.775 175.800 0.125 0.000 1.235 111 F CA -0.285 57.779 58.000 0.107 0.000 1.402 111 F CB -0.414 38.656 39.000 0.116 0.000 1.142 111 F HN -0.228 nan 8.300 nan 0.000 0.529 112 S N 0.096 115.909 115.700 0.189 0.000 2.389 112 S HA -0.315 4.156 4.470 0.001 0.000 0.231 112 S C 2.425 177.175 174.600 0.250 0.000 1.052 112 S CA 1.976 60.302 58.200 0.211 0.000 1.053 112 S CB -0.514 62.690 63.200 0.007 0.000 0.886 112 S HN 0.674 nan 8.310 nan 0.000 0.456 113 S N 2.825 118.636 115.700 0.185 0.000 2.351 113 S HA -0.242 4.229 4.470 0.001 0.000 0.220 113 S C 1.871 176.666 174.600 0.326 0.000 1.035 113 S CA 1.439 59.739 58.200 0.167 0.000 1.031 113 S CB -0.814 62.445 63.200 0.098 0.000 0.928 113 S HN 0.840 nan 8.310 nan 0.000 0.433 114 E N 1.032 121.491 120.200 0.433 0.000 2.347 114 E HA -0.006 4.344 4.350 0.001 0.000 0.196 114 E C 1.820 178.578 176.600 0.264 0.000 1.008 114 E CA 0.857 57.494 56.400 0.395 0.000 0.852 114 E CB -0.452 29.416 29.700 0.281 0.000 0.783 114 E HN 0.454 nan 8.360 nan 0.000 0.505 115 V N 1.679 121.745 119.914 0.254 0.000 2.427 115 V HA -0.192 3.928 4.120 0.001 0.000 0.248 115 V C 2.153 178.348 176.094 0.169 0.000 1.051 115 V CA 2.118 64.534 62.300 0.195 0.000 1.048 115 V CB -0.526 31.424 31.823 0.211 0.000 0.666 115 V HN 0.402 nan 8.190 nan 0.000 0.456 116 T N 0.190 114.860 114.554 0.194 0.000 3.035 116 T HA -0.000 4.350 4.350 0.001 0.000 0.268 116 T C 1.956 176.756 174.700 0.167 0.000 1.109 116 T CA 1.126 63.313 62.100 0.146 0.000 1.119 116 T CB -0.172 68.787 68.868 0.152 0.000 0.900 116 T HN 0.549 nan 8.240 nan 0.000 0.503 117 A N 1.762 124.722 122.820 0.233 0.000 1.840 117 A HA 0.337 4.657 4.320 0.001 0.000 0.214 117 A C 2.583 180.312 177.584 0.243 0.000 1.198 117 A CA 1.299 53.508 52.037 0.285 0.000 0.608 117 A CB -1.105 18.101 19.000 0.343 0.000 0.839 117 A HN 0.474 nan 8.150 nan 0.000 0.443 118 A N -1.368 121.569 122.820 0.194 0.000 2.216 118 A HA 0.155 4.476 4.320 0.001 0.000 0.214 118 A C 1.937 179.602 177.584 0.135 0.000 1.160 118 A CA 1.449 53.585 52.037 0.165 0.000 0.725 118 A CB -0.385 18.676 19.000 0.102 0.000 0.784 118 A HN 0.514 nan 8.150 nan 0.000 0.472 119 L N -1.062 120.232 121.223 0.118 0.000 2.269 119 L HA 0.235 4.576 4.340 0.001 0.000 0.200 119 L C 2.198 179.109 176.870 0.069 0.000 1.069 119 L CA 1.453 56.340 54.840 0.077 0.000 0.804 119 L CB -0.353 41.735 42.059 0.048 0.000 0.987 119 L HN 0.379 nan 8.230 nan 0.000 0.468 120 R N -0.638 119.902 120.500 0.068 0.000 2.328 120 R HA -0.064 4.276 4.340 0.001 0.000 0.207 120 R C 1.487 177.811 176.300 0.039 0.000 1.056 120 R CA 1.363 57.468 56.100 0.009 0.000 1.016 120 R CB -0.041 30.232 30.300 -0.045 0.000 0.872 120 R HN 0.453 nan 8.270 nan 0.000 0.471 121 V N -3.190 116.801 119.914 0.128 0.000 3.621 121 V HA 0.207 4.328 4.120 0.001 0.000 0.263 121 V C 0.747 176.922 176.094 0.135 0.000 1.272 121 V CA 0.312 62.730 62.300 0.198 0.000 1.080 121 V CB 0.179 32.143 31.823 0.235 0.000 0.816 121 V HN 0.261 nan 8.190 nan 0.000 0.451 122 T N -0.158 114.461 114.554 0.109 0.000 2.923 122 T HA 0.616 4.967 4.350 0.001 0.000 0.281 122 T C 0.055 174.793 174.700 0.064 0.000 0.995 122 T CA 0.348 62.494 62.100 0.077 0.000 0.985 122 T CB 1.699 70.612 68.868 0.076 0.000 1.114 122 T HN 0.474 nan 8.240 nan 0.000 0.548 123 D N -2.228 118.203 120.400 0.051 0.000 2.556 123 D HA 0.374 5.015 4.640 0.001 0.000 0.237 123 D C 0.504 176.841 176.300 0.061 0.000 1.296 123 D CA -0.415 53.619 54.000 0.057 0.000 0.807 123 D CB 0.145 40.969 40.800 0.040 0.000 1.084 123 D HN 0.896 nan 8.370 nan 0.000 0.510 124 G N -0.728 108.099 108.800 0.046 0.000 2.694 124 G HA2 0.771 4.731 3.960 0.001 0.000 0.290 124 G HA3 0.771 4.731 3.960 0.001 0.000 0.290 124 G C -1.681 173.232 174.900 0.022 0.000 1.386 124 G CA -0.671 44.449 45.100 0.032 0.000 0.872 124 G HN 0.481 nan 8.290 nan 0.000 0.475 125 A N -0.471 122.351 122.820 0.004 0.000 2.594 125 A HA 0.643 4.963 4.320 0.001 0.000 0.296 125 A C -1.946 175.622 177.584 -0.026 0.000 1.061 125 A CA -0.539 51.496 52.037 -0.004 0.000 0.689 125 A CB 1.848 20.846 19.000 -0.002 0.000 1.280 125 A HN 1.460 nan 8.150 nan 0.000 0.406 126 L N 2.744 123.951 121.223 -0.027 0.000 2.297 126 L HA 0.514 4.855 4.340 0.001 0.000 0.277 126 L C -0.691 176.150 176.870 -0.048 0.000 1.040 126 L CA -0.239 54.572 54.840 -0.047 0.000 0.867 126 L CB 1.113 43.147 42.059 -0.043 0.000 1.244 126 L HN 0.446 nan 8.230 nan 0.000 0.433 127 V N 6.063 125.937 119.914 -0.066 0.000 2.341 127 V HA 0.097 4.217 4.120 0.001 0.000 0.248 127 V C 0.292 176.338 176.094 -0.080 0.000 1.107 127 V CA -0.307 61.955 62.300 -0.063 0.000 1.069 127 V CB 0.514 32.292 31.823 -0.075 0.000 1.177 127 V HN 0.409 nan 8.190 nan 0.000 0.492 128 V N 6.857 126.741 119.914 -0.050 0.000 2.372 128 V HA 0.247 4.368 4.120 0.001 0.000 0.261 128 V C 0.302 176.349 176.094 -0.078 0.000 1.055 128 V CA -0.076 62.191 62.300 -0.055 0.000 0.930 128 V CB 1.086 32.904 31.823 -0.009 0.000 1.031 128 V HN 0.590 nan 8.190 nan 0.000 0.479 129 V N 3.524 123.352 119.914 -0.144 0.000 2.975 129 V HA 0.488 4.608 4.120 0.001 0.000 0.318 129 V C -0.072 175.860 176.094 -0.270 0.000 1.077 129 V CA -0.794 61.349 62.300 -0.263 0.000 1.000 129 V CB 2.223 33.945 31.823 -0.168 0.000 1.066 129 V HN 0.790 nan 8.190 nan 0.000 0.452 130 D N 0.342 120.482 120.400 -0.433 0.000 2.340 130 D HA 0.342 4.983 4.640 0.001 0.000 0.251 130 D C 0.897 177.202 176.300 0.008 0.000 1.080 130 D CA -0.079 53.830 54.000 -0.152 0.000 0.971 130 D CB 2.051 42.806 40.800 -0.076 0.000 1.137 130 D HN 0.561 nan 8.370 nan 0.000 0.475 131 T N 1.207 115.825 114.554 0.107 0.000 2.852 131 T HA 0.011 4.361 4.350 0.001 0.000 0.256 131 T C 1.773 176.499 174.700 0.043 0.000 1.038 131 T CA 0.563 62.754 62.100 0.152 0.000 1.141 131 T CB -0.044 68.969 68.868 0.241 0.000 0.869 131 T HN 0.299 nan 8.240 nan 0.000 0.439 132 I N 1.357 121.959 120.570 0.054 0.000 2.206 132 I HA 0.009 4.179 4.170 0.001 0.000 0.239 132 I C 2.388 178.521 176.117 0.026 0.000 1.078 132 I CA 1.355 62.674 61.300 0.032 0.000 1.367 132 I CB -0.419 37.613 38.000 0.053 0.000 1.078 132 I HN 0.191 nan 8.210 nan 0.000 0.413 133 E N 0.542 120.771 120.200 0.049 0.000 2.274 133 E HA 0.105 4.455 4.350 0.001 0.000 0.194 133 E C 1.364 177.970 176.600 0.010 0.000 0.996 133 E CA 0.576 57.003 56.400 0.045 0.000 0.840 133 E CB -0.177 29.588 29.700 0.107 0.000 0.772 133 E HN 0.517 nan 8.360 nan 0.000 0.491 134 G N 0.805 109.594 108.800 -0.019 0.000 2.569 134 G HA2 -0.327 3.634 3.960 0.001 0.000 0.259 134 G HA3 -0.327 3.634 3.960 0.001 0.000 0.259 134 G C 0.004 174.846 174.900 -0.096 0.000 1.263 134 G CA -0.263 44.812 45.100 -0.042 0.000 0.928 134 G HN 0.133 nan 8.290 nan 0.000 0.572 135 V N 1.775 121.652 119.914 -0.062 0.000 2.421 135 V HA 0.334 4.454 4.120 0.001 0.000 0.271 135 V C 1.749 177.834 176.094 -0.015 0.000 1.031 135 V CA -0.070 62.195 62.300 -0.059 0.000 1.032 135 V CB -0.840 30.965 31.823 -0.030 0.000 1.009 135 V HN 1.326 nan 8.190 nan 0.000 0.477 136 C N 4.793 124.104 119.300 0.017 0.000 2.553 136 C HA 0.438 4.899 4.460 0.001 0.000 0.345 136 C C 1.887 176.900 174.990 0.039 0.000 1.369 136 C CA -0.441 58.609 59.018 0.054 0.000 2.447 136 C CB 0.352 28.165 27.740 0.121 0.000 2.358 136 C HN 0.591 nan 8.230 nan 0.000 0.676 137 V N 1.209 121.138 119.914 0.025 0.000 2.515 137 V HA -0.195 3.926 4.120 0.001 0.000 0.250 137 V C 2.728 178.851 176.094 0.048 0.000 1.058 137 V CA 2.458 64.776 62.300 0.029 0.000 1.064 137 V CB -1.313 30.521 31.823 0.020 0.000 0.675 137 V HN 1.025 nan 8.190 nan 0.000 0.461 138 Q N 0.111 119.952 119.800 0.068 0.000 1.994 138 Q HA -0.179 4.161 4.340 0.001 0.000 0.198 138 Q C 2.227 178.293 176.000 0.110 0.000 0.976 138 Q CA 2.276 58.145 55.803 0.110 0.000 0.828 138 Q CB -0.307 28.542 28.738 0.185 0.000 0.894 138 Q HN 0.562 nan 8.270 nan 0.000 0.432 139 T N 0.978 115.609 114.554 0.130 0.000 2.849 139 T HA -0.193 4.158 4.350 0.001 0.000 0.270 139 T C 1.493 176.223 174.700 0.051 0.000 1.066 139 T CA 1.523 63.686 62.100 0.106 0.000 1.130 139 T CB -0.186 68.755 68.868 0.122 0.000 0.864 139 T HN 0.476 nan 8.240 nan 0.000 0.481 140 E N 0.481 120.705 120.200 0.040 0.000 2.107 140 E HA -0.123 4.228 4.350 0.001 0.000 0.191 140 E C 2.051 178.649 176.600 -0.004 0.000 0.982 140 E CA 1.155 57.566 56.400 0.018 0.000 0.809 140 E CB -0.051 29.664 29.700 0.025 0.000 0.756 140 E HN 0.362 nan 8.360 nan 0.000 0.459 141 T N 0.666 115.227 114.554 0.011 0.000 2.674 141 T HA -0.142 4.208 4.350 0.001 0.000 0.265 141 T C 1.934 176.626 174.700 -0.014 0.000 1.039 141 T CA 1.537 63.637 62.100 -0.001 0.000 1.150 141 T CB -0.280 68.619 68.868 0.051 0.000 0.864 141 T HN 0.044 nan 8.240 nan 0.000 0.427 142 V N 1.575 121.502 119.914 0.022 0.000 2.392 142 V HA -0.140 3.980 4.120 0.001 0.000 0.249 142 V C 2.411 178.483 176.094 -0.036 0.000 1.059 142 V CA 1.235 63.542 62.300 0.012 0.000 1.051 142 V CB -0.766 31.083 31.823 0.045 0.000 0.658 142 V HN 0.298 nan 8.190 nan 0.000 0.455 143 L N 0.187 121.389 121.223 -0.035 0.000 2.046 143 L HA -0.139 4.202 4.340 0.001 0.000 0.208 143 L C 2.590 179.409 176.870 -0.085 0.000 1.077 143 L CA 1.874 56.688 54.840 -0.043 0.000 0.747 143 L CB -0.681 41.366 42.059 -0.020 0.000 0.896 143 L HN 0.190 nan 8.230 nan 0.000 0.432 144 R N -1.278 119.125 120.500 -0.161 0.000 2.127 144 R HA -0.171 4.169 4.340 0.001 0.000 0.238 144 R C 2.205 178.357 176.300 -0.246 0.000 1.134 144 R CA 1.218 57.143 56.100 -0.292 0.000 0.975 144 R CB -0.235 29.771 30.300 -0.490 0.000 0.865 144 R HN 0.481 nan 8.270 nan 0.000 0.447 145 Q N -0.051 119.603 119.800 -0.243 0.000 2.049 145 Q HA -0.009 4.331 4.340 0.001 0.000 0.198 145 Q C 2.200 178.103 176.000 -0.162 0.000 0.971 145 Q CA 1.578 57.206 55.803 -0.292 0.000 0.833 145 Q CB -0.305 28.228 28.738 -0.342 0.000 0.896 145 Q HN 0.312 nan 8.270 nan 0.000 0.434 146 A N 0.875 123.637 122.820 -0.097 0.000 1.940 146 A HA -0.167 4.153 4.320 0.001 0.000 0.219 146 A C 2.236 179.802 177.584 -0.031 0.000 1.176 146 A CA 1.226 53.236 52.037 -0.045 0.000 0.631 146 A CB -0.734 18.252 19.000 -0.024 0.000 0.814 146 A HN 0.329 nan 8.150 nan 0.000 0.446 147 L N -0.946 120.254 121.223 -0.039 0.000 2.093 147 L HA -0.075 4.265 4.340 0.001 0.000 0.208 147 L C 2.690 179.553 176.870 -0.012 0.000 1.085 147 L CA 0.985 55.819 54.840 -0.009 0.000 0.755 147 L CB -0.609 41.464 42.059 0.024 0.000 0.904 147 L HN 0.468 nan 8.230 nan 0.000 0.435 148 G N -1.111 107.656 108.800 -0.054 0.000 2.598 148 G HA2 -0.132 3.828 3.960 0.001 0.000 0.215 148 G HA3 -0.132 3.828 3.960 0.001 0.000 0.215 148 G C 1.299 176.178 174.900 -0.035 0.000 1.131 148 G CA 0.219 45.286 45.100 -0.055 0.000 0.785 148 G HN 0.237 nan 8.290 nan 0.000 0.539 149 E N 0.139 120.324 120.200 -0.025 0.000 2.501 149 E HA 0.120 4.470 4.350 0.001 0.000 0.201 149 E C 0.197 176.830 176.600 0.055 0.000 1.016 149 E CA -0.433 55.967 56.400 -0.000 0.000 0.920 149 E CB 0.319 30.011 29.700 -0.013 0.000 1.023 149 E HN 0.365 nan 8.360 nan 0.000 0.474 150 R N 0.548 121.091 120.500 0.071 0.000 2.992 150 R HA -0.153 4.187 4.340 0.001 0.000 0.263 150 R C -0.483 175.922 176.300 0.175 0.000 0.902 150 R CA 0.490 56.676 56.100 0.144 0.000 0.667 150 R CB -1.896 28.583 30.300 0.299 0.000 1.504 150 R HN 0.154 nan 8.270 nan 0.000 0.489 151 I N 0.926 121.551 120.570 0.093 0.000 2.533 151 I HA 0.189 4.360 4.170 0.001 0.000 0.290 151 I C 0.148 176.294 176.117 0.048 0.000 1.056 151 I CA -1.281 60.068 61.300 0.082 0.000 1.057 151 I CB 2.059 40.089 38.000 0.050 0.000 1.240 151 I HN 0.022 nan 8.210 nan 0.000 0.423 152 K N 8.250 128.683 120.400 0.055 0.000 2.402 152 K HA 0.237 4.557 4.320 0.001 0.000 0.285 152 K C -2.523 174.070 176.600 -0.011 0.000 1.054 152 K CA -0.986 55.312 56.287 0.020 0.000 1.001 152 K CB 0.395 32.917 32.500 0.037 0.000 0.946 152 K HN 0.101 nan 8.250 nan 0.000 0.473 153 P HA 0.175 nan 4.420 nan 0.000 0.282 153 P C -1.223 176.015 177.300 -0.104 0.000 1.249 153 P CA -0.616 62.445 63.100 -0.065 0.000 0.806 153 P CB 1.275 32.931 31.700 -0.074 0.000 0.984 154 V N 3.588 123.436 119.914 -0.110 0.000 2.525 154 V HA 0.210 4.331 4.120 0.001 0.000 0.299 154 V C -0.067 175.924 176.094 -0.171 0.000 1.034 154 V CA -0.752 61.456 62.300 -0.153 0.000 0.863 154 V CB 2.227 33.976 31.823 -0.123 0.000 0.999 154 V HN 0.226 nan 8.190 nan 0.000 0.423 155 V N 5.734 125.512 119.914 -0.227 0.000 2.498 155 V HA 0.462 4.583 4.120 0.001 0.000 0.279 155 V C -0.152 175.759 176.094 -0.305 0.000 1.048 155 V CA -0.202 61.953 62.300 -0.240 0.000 0.967 155 V CB 1.783 33.453 31.823 -0.256 0.000 0.988 155 V HN 0.620 nan 8.190 nan 0.000 0.473 156 V N 6.789 126.546 119.914 -0.261 0.000 2.462 156 V HA 0.399 4.520 4.120 0.001 0.000 0.288 156 V C -0.156 175.794 176.094 -0.240 0.000 1.020 156 V CA -0.369 61.749 62.300 -0.303 0.000 0.857 156 V CB 1.673 33.360 31.823 -0.226 0.000 1.013 156 V HN 0.684 nan 8.190 nan 0.000 0.431 157 I N 4.401 124.806 120.570 -0.276 0.000 2.329 157 I HA 0.211 4.382 4.170 0.001 0.000 0.295 157 I C 0.513 176.586 176.117 -0.073 0.000 1.109 157 I CA 0.227 61.474 61.300 -0.089 0.000 1.297 157 I CB 0.261 38.323 38.000 0.103 0.000 1.433 157 I HN 0.574 nan 8.210 nan 0.000 0.509 158 N N 5.360 124.028 118.700 -0.053 0.000 2.447 158 N HA 0.247 4.987 4.740 0.001 0.000 0.271 158 N C -0.303 175.224 175.510 0.028 0.000 1.226 158 N CA -0.389 52.629 53.050 -0.053 0.000 0.980 158 N CB 0.680 39.149 38.487 -0.031 0.000 1.206 158 N HN 0.354 nan 8.380 nan 0.000 0.558 159 K N -0.430 119.980 120.400 0.017 0.000 3.150 159 K HA -0.124 4.196 4.320 0.001 0.000 0.267 159 K C 0.238 176.927 176.600 0.148 0.000 1.028 159 K CA 0.196 56.540 56.287 0.095 0.000 0.753 159 K CB -1.980 30.598 32.500 0.130 0.000 1.288 159 K HN 0.253 nan 8.250 nan 0.000 0.473 160 V N 0.009 120.008 119.914 0.141 0.000 2.871 160 V HA -0.207 3.913 4.120 0.001 0.000 0.256 160 V C 2.160 178.441 176.094 0.312 0.000 1.082 160 V CA 2.156 64.638 62.300 0.303 0.000 1.105 160 V CB -0.353 31.712 31.823 0.403 0.000 0.713 160 V HN 0.628 nan 8.190 nan 0.000 0.473 161 D N 0.726 121.309 120.400 0.305 0.000 2.219 161 D HA -0.256 4.384 4.640 0.001 0.000 0.205 161 D C 2.120 178.554 176.300 0.223 0.000 0.970 161 D CA 1.030 55.203 54.000 0.289 0.000 0.851 161 D CB -0.420 40.529 40.800 0.249 0.000 0.943 161 D HN 0.336 nan 8.370 nan 0.000 0.488 162 R N 0.019 120.639 120.500 0.201 0.000 2.189 162 R HA 0.035 4.375 4.340 0.001 0.000 0.223 162 R C 1.755 178.130 176.300 0.126 0.000 1.092 162 R CA 1.090 57.285 56.100 0.159 0.000 0.989 162 R CB -0.127 30.259 30.300 0.143 0.000 0.876 162 R HN 0.322 nan 8.270 nan 0.000 0.457 163 A N -0.059 122.836 122.820 0.126 0.000 2.095 163 A HA 0.123 4.443 4.320 0.001 0.000 0.212 163 A C 1.818 179.444 177.584 0.070 0.000 1.162 163 A CA 0.183 52.274 52.037 0.090 0.000 0.753 163 A CB 0.125 19.176 19.000 0.085 0.000 0.840 163 A HN 0.265 nan 8.150 nan 0.000 0.468 164 L N -1.348 119.906 121.223 0.052 0.000 2.200 164 L HA 0.049 4.390 4.340 0.001 0.000 0.200 164 L C 2.105 179.005 176.870 0.050 0.000 1.072 164 L CA 0.334 55.157 54.840 -0.029 0.000 0.787 164 L CB -0.446 41.487 42.059 -0.210 0.000 0.957 164 L HN 0.228 nan 8.230 nan 0.000 0.459 165 L N -0.276 121.014 121.223 0.111 0.000 2.109 165 L HA -0.069 4.271 4.340 0.001 0.000 0.207 165 L C 2.319 179.245 176.870 0.094 0.000 1.086 165 L CA 1.626 56.538 54.840 0.121 0.000 0.760 165 L CB -0.533 41.624 42.059 0.163 0.000 0.910 165 L HN 0.205 nan 8.230 nan 0.000 0.437 166 E N -0.870 119.385 120.200 0.092 0.000 2.045 166 E HA -0.031 4.320 4.350 0.001 0.000 0.195 166 E C 1.993 178.632 176.600 0.064 0.000 0.953 166 E CA 0.285 56.731 56.400 0.076 0.000 0.859 166 E CB -0.309 29.438 29.700 0.077 0.000 0.854 166 E HN 0.093 nan 8.360 nan 0.000 0.471 167 L N 1.217 122.477 121.223 0.063 0.000 2.261 167 L HA -0.150 4.190 4.340 0.001 0.000 0.216 167 L C 0.690 177.595 176.870 0.058 0.000 1.114 167 L CA 1.337 56.209 54.840 0.054 0.000 0.777 167 L CB -0.724 41.364 42.059 0.048 0.000 0.910 167 L HN 0.232 nan 8.230 nan 0.000 0.440 168 Q N -1.256 118.583 119.800 0.066 0.000 2.481 168 Q HA -0.212 4.129 4.340 0.001 0.000 0.272 168 Q C 0.160 176.222 176.000 0.103 0.000 1.157 168 Q CA 0.396 56.244 55.803 0.077 0.000 0.935 168 Q CB -1.988 26.792 28.738 0.069 0.000 1.338 168 Q HN 0.307 nan 8.270 nan 0.000 0.494 169 V N 1.168 121.145 119.914 0.105 0.000 2.901 169 V HA 0.117 4.237 4.120 0.001 0.000 0.307 169 V C 1.073 177.297 176.094 0.217 0.000 1.084 169 V CA 0.874 63.246 62.300 0.120 0.000 1.184 169 V CB 1.343 33.219 31.823 0.089 0.000 0.941 169 V HN 0.526 nan 8.190 nan 0.000 0.493 170 S N 5.792 121.572 115.700 0.134 0.000 2.625 170 S HA 0.302 4.772 4.470 0.001 0.000 0.262 170 S C 0.917 175.516 174.600 -0.001 0.000 1.223 170 S CA -0.028 58.213 58.200 0.067 0.000 0.993 170 S CB 0.518 63.708 63.200 -0.017 0.000 1.051 170 S HN 0.746 nan 8.310 nan 0.000 0.562 171 K N 0.135 120.372 120.400 -0.273 0.000 2.098 171 K HA -0.004 4.316 4.320 0.001 0.000 0.203 171 K C 2.246 178.821 176.600 -0.043 0.000 1.051 171 K CA 1.161 57.270 56.287 -0.297 0.000 0.957 171 K CB -0.259 31.934 32.500 -0.512 0.000 0.738 171 K HN 0.690 nan 8.250 nan 0.000 0.447 172 E N 1.640 121.807 120.200 -0.055 0.000 2.107 172 E HA -0.164 4.187 4.350 0.001 0.000 0.191 172 E C 1.145 177.781 176.600 0.061 0.000 0.982 172 E CA 1.543 57.946 56.400 0.006 0.000 0.809 172 E CB -0.016 29.666 29.700 -0.031 0.000 0.756 172 E HN 0.137 nan 8.360 nan 0.000 0.459 173 D N -0.226 120.189 120.400 0.026 0.000 2.224 173 D HA -0.098 4.542 4.640 0.001 0.000 0.205 173 D C 1.702 177.994 176.300 -0.012 0.000 0.965 173 D CA 0.514 54.522 54.000 0.014 0.000 0.852 173 D CB -0.110 40.696 40.800 0.010 0.000 0.947 173 D HN 0.224 nan 8.370 nan 0.000 0.494 174 L N -0.329 120.907 121.223 0.022 0.000 2.270 174 L HA -0.028 4.313 4.340 0.001 0.000 0.210 174 L C 1.975 178.756 176.870 -0.148 0.000 1.104 174 L CA 1.103 55.903 54.840 -0.066 0.000 0.804 174 L CB -0.588 41.552 42.059 0.136 0.000 0.937 174 L HN -0.008 nan 8.230 nan 0.000 0.450 175 Y N -0.224 120.046 120.300 -0.050 0.000 2.200 175 Y HA -0.175 4.375 4.550 0.001 0.000 0.290 175 Y C 2.223 178.051 175.900 -0.119 0.000 1.137 175 Y CA 1.527 59.604 58.100 -0.039 0.000 1.163 175 Y CB -0.014 38.409 38.460 -0.062 0.000 0.988 175 Y HN 0.247 nan 8.280 nan 0.000 0.518 176 Q N -0.276 119.478 119.800 -0.077 0.000 2.488 176 Q HA -0.072 4.268 4.340 0.001 0.000 0.211 176 Q C 1.793 177.684 176.000 -0.183 0.000 0.967 176 Q CA 1.363 57.085 55.803 -0.136 0.000 0.926 176 Q CB -0.239 28.491 28.738 -0.013 0.000 0.992 176 Q HN 0.521 nan 8.270 nan 0.000 0.506 177 T N 0.160 114.545 114.554 -0.281 0.000 2.814 177 T HA -0.003 4.347 4.350 0.001 0.000 0.254 177 T C 1.345 175.885 174.700 -0.266 0.000 1.037 177 T CA 0.663 62.565 62.100 -0.331 0.000 1.143 177 T CB -0.176 68.378 68.868 -0.523 0.000 0.866 177 T HN 0.165 nan 8.240 nan 0.000 0.431 178 F N 1.945 121.875 119.950 -0.033 0.000 2.234 178 F HA 0.230 4.758 4.527 0.001 0.000 0.299 178 F C 2.610 178.444 175.800 0.056 0.000 1.087 178 F CA 0.124 58.151 58.000 0.045 0.000 1.340 178 F CB -1.128 37.913 39.000 0.069 0.000 1.031 178 F HN 0.129 nan 8.300 nan 0.000 0.500 179 A N 0.337 123.189 122.820 0.053 0.000 1.972 179 A HA -0.148 4.173 4.320 0.001 0.000 0.219 179 A C 2.311 179.925 177.584 0.050 0.000 1.169 179 A CA 1.391 53.450 52.037 0.037 0.000 0.635 179 A CB -0.516 18.305 19.000 -0.299 0.000 0.810 179 A HN 0.341 nan 8.150 nan 0.000 0.446 180 R N -1.514 118.988 120.500 0.004 0.000 2.173 180 R HA 0.028 4.369 4.340 0.001 0.000 0.208 180 R C 2.008 178.321 176.300 0.021 0.000 1.035 180 R CA 1.208 57.311 56.100 0.006 0.000 1.004 180 R CB -0.333 29.956 30.300 -0.018 0.000 0.917 180 R HN 0.452 nan 8.270 nan 0.000 0.462 181 T N 0.728 115.310 114.554 0.046 0.000 2.777 181 T HA -0.069 4.281 4.350 0.001 0.000 0.266 181 T C 1.898 176.622 174.700 0.039 0.000 1.040 181 T CA 1.176 63.308 62.100 0.054 0.000 1.141 181 T CB -0.002 68.940 68.868 0.123 0.000 0.868 181 T HN -0.021 nan 8.240 nan 0.000 0.444 182 V N 1.250 121.201 119.914 0.062 0.000 2.719 182 V HA -0.024 4.096 4.120 0.001 0.000 0.252 182 V C 2.465 178.544 176.094 -0.025 0.000 1.065 182 V CA 1.293 63.589 62.300 -0.007 0.000 1.086 182 V CB -0.451 31.354 31.823 -0.029 0.000 0.700 182 V HN 0.367 nan 8.190 nan 0.000 0.467 183 E N 0.782 120.991 120.200 0.014 0.000 2.150 183 E HA -0.131 4.219 4.350 0.001 0.000 0.193 183 E C 2.176 178.770 176.600 -0.010 0.000 0.985 183 E CA 1.301 57.704 56.400 0.006 0.000 0.814 183 E CB -0.230 29.486 29.700 0.027 0.000 0.752 183 E HN 0.510 nan 8.360 nan 0.000 0.466 184 S N -0.960 114.736 115.700 -0.006 0.000 2.561 184 S HA -0.011 4.459 4.470 0.001 0.000 0.225 184 S C 1.574 176.165 174.600 -0.015 0.000 0.977 184 S CA 0.614 58.810 58.200 -0.007 0.000 0.926 184 S CB 0.229 63.427 63.200 -0.003 0.000 0.769 184 S HN 0.120 nan 8.310 nan 0.000 0.533 185 V N 3.115 123.008 119.914 -0.035 0.000 2.521 185 V HA -0.059 4.061 4.120 0.001 0.000 0.239 185 V C 2.407 178.460 176.094 -0.068 0.000 1.053 185 V CA 1.208 63.476 62.300 -0.052 0.000 1.073 185 V CB -0.635 31.137 31.823 -0.085 0.000 0.746 185 V HN 0.635 nan 8.190 nan 0.000 0.476 186 N N 1.246 119.888 118.700 -0.097 0.000 2.166 186 N HA -0.162 4.578 4.740 0.001 0.000 0.186 186 N C 1.756 177.217 175.510 -0.082 0.000 1.019 186 N CA 1.809 54.786 53.050 -0.121 0.000 0.856 186 N CB -0.359 38.039 38.487 -0.149 0.000 0.993 186 N HN 0.354 nan 8.380 nan 0.000 0.426 187 V N 1.824 121.703 119.914 -0.058 0.000 2.343 187 V HA -0.184 3.937 4.120 0.001 0.000 0.247 187 V C 2.590 178.636 176.094 -0.079 0.000 1.051 187 V CA 1.114 63.378 62.300 -0.060 0.000 1.036 187 V CB -0.433 31.367 31.823 -0.039 0.000 0.654 187 V HN 0.297 nan 8.190 nan 0.000 0.451 188 I N -0.438 120.118 120.570 -0.023 0.000 2.394 188 I HA -0.128 4.042 4.170 0.001 0.000 0.251 188 I C 2.341 178.497 176.117 0.064 0.000 1.136 188 I CA 1.235 62.572 61.300 0.063 0.000 1.425 188 I CB -1.102 36.984 38.000 0.143 0.000 1.079 188 I HN 0.172 nan 8.210 nan 0.000 0.425 189 V N 1.441 121.351 119.914 -0.007 0.000 2.231 189 V HA -0.232 3.889 4.120 0.001 0.000 0.240 189 V C 2.676 178.738 176.094 -0.054 0.000 1.039 189 V CA 2.084 64.371 62.300 -0.021 0.000 0.998 189 V CB -1.062 30.715 31.823 -0.076 0.000 0.639 189 V HN 0.529 nan 8.190 nan 0.000 0.451 190 S N -0.377 115.274 115.700 -0.082 0.000 2.407 190 S HA -0.283 4.187 4.470 0.001 0.000 0.235 190 S C 1.794 176.322 174.600 -0.119 0.000 1.036 190 S CA 2.233 60.383 58.200 -0.082 0.000 1.013 190 S CB -0.962 62.197 63.200 -0.069 0.000 0.820 190 S HN 0.627 nan 8.310 nan 0.000 0.476 191 T N 1.328 115.756 114.554 -0.211 0.000 2.643 191 T HA 0.014 4.365 4.350 0.001 0.000 0.256 191 T C 0.911 175.414 174.700 -0.328 0.000 1.061 191 T CA 1.403 63.278 62.100 -0.374 0.000 1.163 191 T CB -0.596 67.838 68.868 -0.724 0.000 0.865 191 T HN 0.591 nan 8.240 nan 0.000 0.407 192 Y N 1.715 122.000 120.300 -0.024 0.000 2.471 192 Y HA 0.569 5.119 4.550 0.001 0.000 0.321 192 Y C 0.825 176.706 175.900 -0.032 0.000 1.195 192 Y CA -1.064 57.021 58.100 -0.025 0.000 1.272 192 Y CB -0.900 37.543 38.460 -0.028 0.000 1.097 192 Y HN 0.124 nan 8.280 nan 0.000 0.507 193 A N 0.050 122.894 122.820 0.040 0.000 2.274 193 A HA 0.300 4.621 4.320 0.001 0.000 0.309 193 A C -0.120 177.462 177.584 -0.003 0.000 1.226 193 A CA -0.759 51.285 52.037 0.011 0.000 0.853 193 A CB 0.229 19.217 19.000 -0.019 0.000 1.146 193 A HN 0.137 nan 8.150 nan 0.000 0.518 194 D N 1.523 121.919 120.400 -0.008 0.000 2.390 194 D HA 0.026 4.666 4.640 0.001 0.000 0.236 194 D C 1.189 177.469 176.300 -0.034 0.000 1.189 194 D CA 0.368 54.357 54.000 -0.018 0.000 0.887 194 D CB 0.747 41.531 40.800 -0.026 0.000 1.198 194 D HN 0.685 nan 8.370 nan 0.000 0.444 195 E N 0.275 120.458 120.200 -0.029 0.000 2.112 195 E HA -0.082 4.268 4.350 0.001 0.000 0.190 195 E C 2.018 178.590 176.600 -0.047 0.000 0.979 195 E CA 0.471 56.852 56.400 -0.031 0.000 0.814 195 E CB 0.140 29.828 29.700 -0.019 0.000 0.762 195 E HN 0.186 nan 8.360 nan 0.000 0.460 196 V N 1.794 121.674 119.914 -0.057 0.000 2.343 196 V HA -0.238 3.882 4.120 0.001 0.000 0.247 196 V C 2.284 178.296 176.094 -0.137 0.000 1.051 196 V CA 1.436 63.687 62.300 -0.081 0.000 1.036 196 V CB -0.479 31.298 31.823 -0.076 0.000 0.654 196 V HN 0.268 nan 8.190 nan 0.000 0.451 197 L N -0.027 121.093 121.223 -0.172 0.000 2.353 197 L HA 0.142 4.483 4.340 0.001 0.000 0.220 197 L C 1.506 178.300 176.870 -0.127 0.000 1.133 197 L CA 0.819 55.527 54.840 -0.220 0.000 0.798 197 L CB -1.145 40.791 42.059 -0.205 0.000 0.922 197 L HN 0.600 nan 8.230 nan 0.000 0.445 198 G N 0.430 109.180 108.800 -0.082 0.000 2.692 198 G HA2 -0.354 3.606 3.960 0.001 0.000 0.248 198 G HA3 -0.354 3.606 3.960 0.001 0.000 0.248 198 G C -0.319 174.563 174.900 -0.031 0.000 1.340 198 G CA -0.071 45.001 45.100 -0.047 0.000 0.896 198 G HN 0.337 nan 8.290 nan 0.000 0.570 199 D N -0.727 119.671 120.400 -0.004 0.000 2.426 199 D HA 0.239 4.880 4.640 0.001 0.000 0.261 199 D C 0.956 177.272 176.300 0.027 0.000 1.245 199 D CA 0.992 55.008 54.000 0.027 0.000 0.917 199 D CB 1.034 41.877 40.800 0.071 0.000 1.123 199 D HN 0.928 nan 8.370 nan 0.000 0.508 200 V N 4.198 124.107 119.914 -0.009 0.000 3.432 200 V HA 0.099 4.219 4.120 0.001 0.000 0.298 200 V C 0.580 176.613 176.094 -0.101 0.000 1.464 200 V CA -0.068 62.211 62.300 -0.036 0.000 1.046 200 V CB -0.249 31.543 31.823 -0.051 0.000 0.887 200 V HN 0.568 nan 8.190 nan 0.000 0.441 201 Q N 1.099 120.810 119.800 -0.147 0.000 2.369 201 Q HA 0.139 4.479 4.340 0.001 0.000 0.295 201 Q C -0.031 175.596 176.000 -0.621 0.000 1.075 201 Q CA 0.441 56.016 55.803 -0.381 0.000 0.941 201 Q CB 1.237 29.691 28.738 -0.473 0.000 1.260 201 Q HN 0.516 nan 8.270 nan 0.000 0.417 202 V N 0.579 120.141 119.914 -0.587 0.000 2.461 202 V HA 0.305 4.425 4.120 0.001 0.000 0.275 202 V C -0.966 174.703 176.094 -0.708 0.000 1.047 202 V CA -0.547 61.435 62.300 -0.530 0.000 0.955 202 V CB -0.132 31.468 31.823 -0.372 0.000 0.988 202 V HN 0.501 nan 8.190 nan 0.000 0.471 203 Y N 4.862 125.009 120.300 -0.255 0.000 2.328 203 Y HA 0.478 5.029 4.550 0.001 0.000 0.336 203 Y C -1.869 173.818 175.900 -0.356 0.000 0.960 203 Y CA -2.351 55.578 58.100 -0.285 0.000 1.134 203 Y CB 2.128 40.475 38.460 -0.188 0.000 1.166 203 Y HN 0.418 nan 8.280 nan 0.000 0.464 204 P HA -0.190 nan 4.420 nan 0.000 0.216 204 P C 1.117 178.314 177.300 -0.172 0.000 1.150 204 P CA 1.940 64.781 63.100 -0.431 0.000 0.837 204 P CB 0.311 31.411 31.700 -0.999 0.000 0.786 205 A N -0.767 121.951 122.820 -0.169 0.000 2.235 205 A HA -0.033 4.288 4.320 0.001 0.000 0.208 205 A C 1.875 179.494 177.584 0.057 0.000 1.172 205 A CA 0.743 52.813 52.037 0.055 0.000 0.786 205 A CB -0.775 18.299 19.000 0.123 0.000 0.804 205 A HN 0.135 nan 8.150 nan 0.000 0.479 206 R N -2.032 118.487 120.500 0.032 0.000 2.373 206 R HA 0.282 4.623 4.340 0.001 0.000 0.221 206 R C 1.000 177.368 176.300 0.114 0.000 0.893 206 R CA 0.550 56.689 56.100 0.065 0.000 1.049 206 R CB 0.488 30.826 30.300 0.064 0.000 1.119 206 R HN 0.599 nan 8.270 nan 0.000 0.535 207 G N 1.378 110.209 108.800 0.052 0.000 2.131 207 G HA2 -0.236 3.725 3.960 0.001 0.000 0.201 207 G HA3 -0.236 3.725 3.960 0.001 0.000 0.201 207 G C 0.570 175.439 174.900 -0.052 0.000 1.000 207 G CA 0.464 45.621 45.100 0.095 0.000 0.680 207 G HN 0.359 nan 8.290 nan 0.000 0.514 208 T N -2.532 111.838 114.554 -0.306 0.000 3.092 208 T HA 0.567 4.918 4.350 0.001 0.000 0.258 208 T C 0.268 174.736 174.700 -0.387 0.000 1.031 208 T CA 0.376 62.179 62.100 -0.495 0.000 0.925 208 T CB 1.358 69.880 68.868 -0.576 0.000 1.036 208 T HN 0.835 nan 8.240 nan 0.000 0.544 209 V N 1.416 121.092 119.914 -0.397 0.000 2.524 209 V HA 0.802 4.923 4.120 0.001 0.000 0.297 209 V C -0.144 175.415 176.094 -0.892 0.000 1.035 209 V CA -1.163 60.788 62.300 -0.582 0.000 0.867 209 V CB 1.133 32.616 31.823 -0.566 0.000 1.004 209 V HN 0.594 nan 8.190 nan 0.000 0.426 210 A N 4.670 126.902 122.820 -0.979 0.000 2.288 210 A HA 1.066 5.386 4.320 0.001 0.000 0.328 210 A C -1.222 175.421 177.584 -1.568 0.000 1.123 210 A CA -0.487 50.902 52.037 -1.080 0.000 0.861 210 A CB 1.316 20.001 19.000 -0.526 0.000 1.272 210 A HN 0.674 nan 8.150 nan 0.000 0.490 211 F N -1.181 118.342 119.950 -0.713 0.000 2.608 211 F HA 0.739 5.266 4.527 0.001 0.000 0.309 211 F C 0.546 175.921 175.800 -0.709 0.000 1.103 211 F CA 0.194 57.732 58.000 -0.770 0.000 0.954 211 F CB 2.253 40.655 39.000 -0.995 0.000 1.267 211 F HN 1.154 nan 8.300 nan 0.000 0.444 212 G N 0.328 108.857 108.800 -0.450 0.000 2.333 212 G HA2 0.443 4.403 3.960 0.001 0.000 0.288 212 G HA3 0.443 4.403 3.960 0.001 0.000 0.288 212 G C -2.018 172.369 174.900 -0.855 0.000 1.286 212 G CA -0.470 43.994 45.100 -1.059 0.000 0.865 212 G HN 0.813 nan 8.290 nan 0.000 0.506 213 S N -1.727 113.298 115.700 -1.126 0.000 2.570 213 S HA 0.692 5.163 4.470 0.001 0.000 0.286 213 S C 1.084 175.536 174.600 -0.247 0.000 1.099 213 S CA 0.759 58.681 58.200 -0.464 0.000 0.913 213 S CB 1.444 64.524 63.200 -0.199 0.000 1.085 213 S HN 1.841 nan 8.310 nan 0.000 0.480 214 G N 1.847 110.612 108.800 -0.058 0.000 2.510 214 G HA2 0.048 4.009 3.960 0.001 0.000 0.212 214 G HA3 0.048 4.009 3.960 0.001 0.000 0.212 214 G C 1.182 176.122 174.900 0.066 0.000 1.151 214 G CA 0.527 45.627 45.100 0.000 0.000 0.817 214 G HN 0.617 nan 8.290 nan 0.000 0.534 215 L N 0.566 121.851 121.223 0.103 0.000 2.013 215 L HA -0.111 4.230 4.340 0.001 0.000 0.212 215 L C 2.421 179.329 176.870 0.064 0.000 1.073 215 L CA 2.019 56.906 54.840 0.078 0.000 0.753 215 L CB -0.773 41.340 42.059 0.091 0.000 0.890 215 L HN 0.336 nan 8.230 nan 0.000 0.432 216 H N -0.796 118.379 119.070 0.174 0.000 2.512 216 H HA 0.199 4.756 4.556 0.001 0.000 0.279 216 H C 1.283 176.775 175.328 0.273 0.000 0.999 216 H CA 0.706 56.920 56.048 0.276 0.000 1.283 216 H CB 0.052 30.138 29.762 0.539 0.000 1.421 216 H HN 0.516 nan 8.280 nan 0.000 0.554 217 G N 1.354 110.334 108.800 0.301 0.000 2.248 217 G HA2 -0.189 3.771 3.960 0.001 0.000 0.252 217 G HA3 -0.189 3.771 3.960 0.001 0.000 0.252 217 G C -0.261 174.829 174.900 0.317 0.000 1.085 217 G CA 0.344 45.573 45.100 0.215 0.000 0.845 217 G HN 0.523 nan 8.290 nan 0.000 0.494 218 W N -0.987 120.437 121.300 0.206 0.000 2.998 218 W HA 0.831 5.491 4.660 0.001 0.000 0.335 218 W C -0.454 176.199 176.519 0.223 0.000 1.110 218 W CA -1.482 55.995 57.345 0.222 0.000 1.230 218 W CB 1.506 31.142 29.460 0.294 0.000 1.405 218 W HN 1.120 nan 8.180 nan 0.000 0.493 219 A N 4.182 127.202 122.820 0.332 0.000 2.604 219 A HA 0.884 5.204 4.320 0.001 0.000 0.295 219 A C -2.127 175.670 177.584 0.355 0.000 1.067 219 A CA -0.795 51.321 52.037 0.132 0.000 0.683 219 A CB 1.532 20.470 19.000 -0.104 0.000 1.281 219 A HN 1.071 nan 8.150 nan 0.000 0.407 220 F N -0.516 119.572 119.950 0.230 0.000 2.619 220 F HA 0.836 5.364 4.527 0.001 0.000 0.308 220 F C -0.113 175.823 175.800 0.226 0.000 1.097 220 F CA -0.294 57.844 58.000 0.229 0.000 0.953 220 F CB 1.521 40.773 39.000 0.419 0.000 1.287 220 F HN 0.737 nan 8.300 nan 0.000 0.446 221 T N 0.017 114.724 114.554 0.256 0.000 2.925 221 T HA 0.492 4.843 4.350 0.001 0.000 0.285 221 T C 0.863 175.852 174.700 0.482 0.000 1.021 221 T CA -0.794 61.418 62.100 0.187 0.000 1.042 221 T CB 1.548 70.447 68.868 0.052 0.000 1.037 221 T HN 0.778 nan 8.240 nan 0.000 0.481 222 I N 0.378 121.243 120.570 0.491 0.000 2.567 222 I HA -0.089 4.082 4.170 0.001 0.000 0.257 222 I C 2.823 179.174 176.117 0.390 0.000 1.184 222 I CA 1.039 62.684 61.300 0.575 0.000 1.451 222 I CB -0.322 37.995 38.000 0.528 0.000 1.089 222 I HN 0.728 nan 8.210 nan 0.000 0.441 223 R N 0.808 121.460 120.500 0.253 0.000 2.236 223 R HA -0.114 4.226 4.340 0.001 0.000 0.208 223 R C 2.102 178.479 176.300 0.129 0.000 1.036 223 R CA 0.821 57.019 56.100 0.164 0.000 1.001 223 R CB 0.117 30.480 30.300 0.105 0.000 0.896 223 R HN 0.459 nan 8.270 nan 0.000 0.464 224 Q N -0.715 119.166 119.800 0.135 0.000 2.020 224 Q HA -0.099 4.241 4.340 0.001 0.000 0.198 224 Q C 1.512 177.483 176.000 -0.047 0.000 0.974 224 Q CA 1.357 57.155 55.803 -0.009 0.000 0.829 224 Q CB -0.013 28.667 28.738 -0.096 0.000 0.894 224 Q HN 0.293 nan 8.270 nan 0.000 0.433 225 F N 0.306 120.340 119.950 0.139 0.000 2.546 225 F HA -0.051 4.477 4.527 0.001 0.000 0.298 225 F C 2.059 177.979 175.800 0.200 0.000 1.120 225 F CA 0.804 58.890 58.000 0.144 0.000 1.456 225 F CB -0.192 38.946 39.000 0.230 0.000 1.088 225 F HN 0.078 nan 8.300 nan 0.000 0.572 226 A N -0.865 122.144 122.820 0.314 0.000 2.016 226 A HA -0.078 4.242 4.320 0.001 0.000 0.217 226 A C 2.162 179.827 177.584 0.135 0.000 1.162 226 A CA 1.698 53.873 52.037 0.230 0.000 0.662 226 A CB -0.969 18.138 19.000 0.178 0.000 0.812 226 A HN 0.271 nan 8.150 nan 0.000 0.450 227 T N -0.411 114.187 114.554 0.073 0.000 3.055 227 T HA -0.010 4.340 4.350 0.001 0.000 0.265 227 T C 1.881 176.570 174.700 -0.019 0.000 1.111 227 T CA 1.111 63.220 62.100 0.015 0.000 1.118 227 T CB -0.078 68.779 68.868 -0.019 0.000 0.909 227 T HN 0.523 nan 8.240 nan 0.000 0.501 228 R N -0.264 120.213 120.500 -0.039 0.000 2.087 228 R HA 0.147 4.487 4.340 0.001 0.000 0.216 228 R C 1.297 177.485 176.300 -0.187 0.000 1.114 228 R CA 0.693 56.696 56.100 -0.162 0.000 1.002 228 R CB -0.128 30.004 30.300 -0.281 0.000 0.903 228 R HN 0.340 nan 8.270 nan 0.000 0.445 229 Y N 0.403 120.750 120.300 0.079 0.000 2.471 229 Y HA 0.215 4.766 4.550 0.001 0.000 0.286 229 Y C 1.821 177.781 175.900 0.101 0.000 1.188 229 Y CA -0.019 58.128 58.100 0.079 0.000 1.286 229 Y CB 0.091 38.672 38.460 0.202 0.000 1.072 229 Y HN 0.126 nan 8.280 nan 0.000 0.517 230 A N -0.306 122.605 122.820 0.151 0.000 2.072 230 A HA -0.034 4.287 4.320 0.001 0.000 0.216 230 A C 2.027 179.649 177.584 0.064 0.000 1.156 230 A CA 0.921 53.020 52.037 0.103 0.000 0.701 230 A CB -0.046 18.989 19.000 0.059 0.000 0.816 230 A HN 0.341 nan 8.150 nan 0.000 0.458 231 K N -0.403 120.007 120.400 0.017 0.000 2.214 231 K HA 0.109 4.429 4.320 0.001 0.000 0.201 231 K C 1.690 178.260 176.600 -0.051 0.000 1.049 231 K CA 0.622 56.901 56.287 -0.014 0.000 0.978 231 K CB 0.008 32.486 32.500 -0.037 0.000 0.842 231 K HN 0.231 nan 8.250 nan 0.000 0.474 232 K N 0.177 120.492 120.400 -0.142 0.000 2.209 232 K HA -0.053 4.267 4.320 0.001 0.000 0.204 232 K C 1.005 177.374 176.600 -0.384 0.000 1.048 232 K CA 1.194 57.291 56.287 -0.316 0.000 0.940 232 K CB 0.060 32.261 32.500 -0.498 0.000 0.729 232 K HN 0.059 nan 8.250 nan 0.000 0.451 233 F N -0.410 119.585 119.950 0.075 0.000 2.682 233 F HA 0.264 4.791 4.527 0.001 0.000 0.308 233 F C 0.967 176.799 175.800 0.052 0.000 1.093 233 F CA -0.251 57.786 58.000 0.061 0.000 1.244 233 F CB 0.601 39.617 39.000 0.026 0.000 1.052 233 F HN 0.017 nan 8.300 nan 0.000 0.573 234 G N 1.900 110.796 108.800 0.159 0.000 2.350 234 G HA2 -0.154 3.806 3.960 0.001 0.000 0.298 234 G HA3 -0.154 3.806 3.960 0.001 0.000 0.298 234 G C -0.590 174.365 174.900 0.092 0.000 1.037 234 G CA 0.272 45.434 45.100 0.103 0.000 1.074 234 G HN 0.205 nan 8.290 nan 0.000 0.511 235 V N 0.606 120.568 119.914 0.082 0.000 2.733 235 V HA 0.418 4.539 4.120 0.001 0.000 0.306 235 V C 0.098 176.200 176.094 0.014 0.000 1.084 235 V CA -0.616 61.702 62.300 0.030 0.000 0.905 235 V CB 2.100 33.914 31.823 -0.016 0.000 1.010 235 V HN 0.694 nan 8.190 nan 0.000 0.424 236 D N 3.011 123.410 120.400 -0.001 0.000 2.583 236 D HA -0.059 4.581 4.640 0.001 0.000 0.232 236 D C 1.139 177.434 176.300 -0.007 0.000 1.128 236 D CA 0.034 54.032 54.000 -0.003 0.000 0.859 236 D CB 0.637 41.432 40.800 -0.009 0.000 1.169 236 D HN 0.754 nan 8.370 nan 0.000 0.481 237 K N 1.791 122.195 120.400 0.008 0.000 2.360 237 K HA -0.181 4.140 4.320 0.001 0.000 0.201 237 K C 1.746 178.351 176.600 0.008 0.000 1.046 237 K CA 0.855 57.153 56.287 0.018 0.000 0.945 237 K CB -0.151 32.367 32.500 0.031 0.000 0.750 237 K HN 0.428 nan 8.250 nan 0.000 0.464 238 A N 2.296 125.113 122.820 -0.004 0.000 1.908 238 A HA -0.191 4.129 4.320 0.001 0.000 0.218 238 A C 2.168 179.738 177.584 -0.024 0.000 1.181 238 A CA 1.829 53.861 52.037 -0.009 0.000 0.627 238 A CB -0.423 18.569 19.000 -0.013 0.000 0.818 238 A HN 0.446 nan 8.150 nan 0.000 0.445 239 K N -1.726 118.645 120.400 -0.048 0.000 2.262 239 K HA 0.076 4.397 4.320 0.001 0.000 0.200 239 K C 1.882 178.403 176.600 -0.132 0.000 1.049 239 K CA 0.933 57.167 56.287 -0.089 0.000 0.979 239 K CB -0.101 32.333 32.500 -0.110 0.000 0.773 239 K HN 0.333 nan 8.250 nan 0.000 0.474 240 M N 0.774 120.312 119.600 -0.103 0.000 2.296 240 M HA -0.023 4.457 4.480 0.001 0.000 0.265 240 M C 1.663 177.941 176.300 -0.037 0.000 1.064 240 M CA 1.463 56.692 55.300 -0.118 0.000 1.109 240 M CB 0.066 32.651 32.600 -0.025 0.000 1.396 240 M HN 0.157 nan 8.290 nan 0.000 0.430 241 M N -1.047 118.565 119.600 0.021 0.000 2.254 241 M HA -0.141 4.339 4.480 0.001 0.000 0.265 241 M C 1.672 178.032 176.300 0.101 0.000 1.066 241 M CA 1.241 56.598 55.300 0.095 0.000 1.123 241 M CB -0.565 32.090 32.600 0.092 0.000 1.388 241 M HN 0.210 nan 8.290 nan 0.000 0.425 242 D N 0.670 121.087 120.400 0.028 0.000 2.117 242 D HA -0.111 4.530 4.640 0.001 0.000 0.198 242 D C 1.992 178.316 176.300 0.040 0.000 0.982 242 D CA 1.371 55.393 54.000 0.036 0.000 0.828 242 D CB 0.074 40.862 40.800 -0.020 0.000 0.967 242 D HN 0.243 nan 8.370 nan 0.000 0.464 243 R N -0.149 120.303 120.500 -0.080 0.000 2.073 243 R HA -0.041 4.300 4.340 0.001 0.000 0.234 243 R C 2.664 179.015 176.300 0.085 0.000 1.134 243 R CA 0.722 56.750 56.100 -0.121 0.000 0.952 243 R CB -0.392 29.548 30.300 -0.600 0.000 0.850 243 R HN 0.237 nan 8.270 nan 0.000 0.433 244 L N -0.331 120.983 121.223 0.151 0.000 1.991 244 L HA -0.230 4.110 4.340 0.001 0.000 0.221 244 L C 1.558 178.693 176.870 0.443 0.000 1.079 244 L CA 1.124 56.168 54.840 0.340 0.000 0.778 244 L CB -0.546 41.758 42.059 0.409 0.000 0.893 244 L HN 0.351 nan 8.230 nan 0.000 0.437 245 W N 0.695 122.135 121.300 0.234 0.000 2.375 245 W HA 0.416 5.077 4.660 0.001 0.000 0.336 245 W C 0.512 177.088 176.519 0.096 0.000 1.160 245 W CA 0.668 58.117 57.345 0.174 0.000 1.266 245 W CB 0.825 30.376 29.460 0.151 0.000 1.195 245 W HN 0.289 nan 8.180 nan 0.000 0.599 246 G N 3.521 112.033 108.800 -0.480 0.000 2.681 246 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 246 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 246 G C -0.813 173.916 174.900 -0.284 0.000 1.353 246 G CA -0.425 44.531 45.100 -0.240 0.000 0.872 246 G HN 0.480 nan 8.290 nan 0.000 0.557 247 D N 1.574 121.859 120.400 -0.192 0.000 2.498 247 D HA 0.485 5.126 4.640 0.001 0.000 0.229 247 D C -0.017 176.053 176.300 -0.384 0.000 1.188 247 D CA 0.757 54.573 54.000 -0.307 0.000 1.028 247 D CB 0.180 40.976 40.800 -0.006 0.000 1.087 247 D HN 0.548 nan 8.370 nan 0.000 0.510 248 S N 1.558 116.855 115.700 -0.671 0.000 2.677 248 S HA 0.501 4.971 4.470 0.001 0.000 0.283 248 S C -0.623 173.746 174.600 -0.384 0.000 1.159 248 S CA -0.730 57.294 58.200 -0.293 0.000 1.001 248 S CB 0.841 64.052 63.200 0.018 0.000 1.032 248 S HN 0.121 nan 8.310 nan 0.000 0.487 249 F N 1.564 121.661 119.950 0.245 0.000 2.579 249 F HA 0.693 5.220 4.527 0.001 0.000 0.324 249 F C -0.489 175.278 175.800 -0.055 0.000 1.058 249 F CA -1.188 56.860 58.000 0.079 0.000 0.944 249 F CB 1.123 40.105 39.000 -0.029 0.000 1.245 249 F HN 0.532 nan 8.300 nan 0.000 0.477 250 F N 2.660 122.431 119.950 -0.298 0.000 2.532 250 F HA 0.383 4.911 4.527 0.001 0.000 0.365 250 F C -0.313 175.255 175.800 -0.387 0.000 1.112 250 F CA -0.858 56.722 58.000 -0.700 0.000 1.082 250 F CB 0.320 38.617 39.000 -1.173 0.000 1.319 250 F HN 0.380 nan 8.300 nan 0.000 0.457 251 N N 7.274 125.592 118.700 -0.636 0.000 2.427 251 N HA 0.144 4.884 4.740 0.001 0.000 0.269 251 N C -1.922 173.207 175.510 -0.634 0.000 1.235 251 N CA -1.771 50.984 53.050 -0.491 0.000 0.934 251 N CB 1.392 39.672 38.487 -0.345 0.000 1.121 251 N HN 0.302 nan 8.380 nan 0.000 0.480 252 P HA -0.093 nan 4.420 nan 0.000 0.222 252 P C 0.580 177.755 177.300 -0.209 0.000 1.147 252 P CA 1.380 64.331 63.100 -0.248 0.000 0.790 252 P CB 0.428 32.053 31.700 -0.126 0.000 0.780 253 K N -0.854 119.419 120.400 -0.212 0.000 2.029 253 K HA -0.028 4.292 4.320 0.001 0.000 0.205 253 K C 2.133 178.636 176.600 -0.161 0.000 1.042 253 K CA 1.942 58.139 56.287 -0.151 0.000 0.949 253 K CB -0.990 31.433 32.500 -0.129 0.000 0.740 253 K HN 0.206 nan 8.250 nan 0.000 0.442 254 T N -0.831 113.598 114.554 -0.209 0.000 3.023 254 T HA 0.007 4.357 4.350 0.001 0.000 0.266 254 T C 0.634 175.203 174.700 -0.218 0.000 1.093 254 T CA 0.312 62.304 62.100 -0.181 0.000 1.129 254 T CB -0.018 68.749 68.868 -0.170 0.000 0.899 254 T HN 0.004 nan 8.240 nan 0.000 0.491 255 K N 0.712 120.881 120.400 -0.385 0.000 3.129 255 K HA -0.110 4.210 4.320 0.001 0.000 0.273 255 K C -0.554 175.831 176.600 -0.360 0.000 1.123 255 K CA 0.856 56.884 56.287 -0.432 0.000 0.800 255 K CB -1.663 30.785 32.500 -0.088 0.000 1.238 255 K HN 0.628 nan 8.250 nan 0.000 0.492 256 K N -0.745 119.376 120.400 -0.465 0.000 2.477 256 K HA 0.367 4.688 4.320 0.001 0.000 0.255 256 K C -0.472 176.027 176.600 -0.169 0.000 0.952 256 K CA -0.812 55.390 56.287 -0.141 0.000 0.826 256 K CB 1.121 33.615 32.500 -0.010 0.000 1.331 256 K HN -0.078 nan 8.250 nan 0.000 0.437 257 W N 1.117 122.458 121.300 0.068 0.000 2.218 257 W HA 0.271 4.931 4.660 0.001 0.000 0.326 257 W C 0.165 176.728 176.519 0.075 0.000 1.276 257 W CA 0.301 57.721 57.345 0.125 0.000 1.210 257 W CB 1.120 30.668 29.460 0.146 0.000 1.143 257 W HN 0.339 nan 8.180 nan 0.000 0.563 258 T N 2.087 116.837 114.554 0.328 0.000 2.883 258 T HA 0.167 4.517 4.350 0.001 0.000 0.301 258 T C 0.143 175.045 174.700 0.337 0.000 1.158 258 T CA -0.947 61.298 62.100 0.241 0.000 1.007 258 T CB 1.524 70.465 68.868 0.122 0.000 1.186 258 T HN 0.257 nan 8.240 nan 0.000 0.499 259 N N 0.807 119.660 118.700 0.255 0.000 2.268 259 N HA 0.139 4.879 4.740 0.001 0.000 0.204 259 N C -0.314 175.386 175.510 0.318 0.000 1.124 259 N CA 0.124 53.342 53.050 0.280 0.000 0.838 259 N CB 0.436 39.019 38.487 0.160 0.000 0.994 259 N HN 0.417 nan 8.380 nan 0.000 0.489 260 K N 0.945 121.474 120.400 0.216 0.000 2.206 260 K HA 0.123 4.443 4.320 0.001 0.000 0.264 260 K C -0.283 176.071 176.600 -0.409 0.000 0.967 260 K CA -0.581 55.708 56.287 0.003 0.000 0.844 260 K CB 1.225 33.698 32.500 -0.045 0.000 1.099 260 K HN 0.001 nan 8.250 nan 0.000 0.441 261 D N 0.647 120.702 120.400 -0.576 0.000 2.400 261 D HA -0.000 4.640 4.640 0.001 0.000 0.243 261 D C -0.589 175.368 176.300 -0.572 0.000 1.184 261 D CA -0.074 53.281 54.000 -1.074 0.000 0.853 261 D CB 0.272 40.718 40.800 -0.590 0.000 0.944 261 D HN 0.123 nan 8.370 nan 0.000 0.501 262 T N 0.145 114.458 114.554 -0.402 0.000 3.172 262 T HA 0.101 4.452 4.350 0.001 0.000 0.320 262 T C -1.178 173.405 174.700 -0.195 0.000 1.085 262 T CA -0.943 61.007 62.100 -0.251 0.000 1.052 262 T CB 2.280 71.046 68.868 -0.170 0.000 1.107 262 T HN 0.143 nan 8.240 nan 0.000 0.458 263 D N 1.855 122.150 120.400 -0.174 0.000 2.371 263 D HA 0.272 4.913 4.640 0.001 0.000 0.242 263 D C 1.551 177.789 176.300 -0.104 0.000 1.218 263 D CA 0.007 53.925 54.000 -0.137 0.000 0.945 263 D CB 1.387 42.107 40.800 -0.134 0.000 1.137 263 D HN 0.546 nan 8.370 nan 0.000 0.464 264 A N 2.535 125.304 122.820 -0.086 0.000 1.927 264 A HA -0.231 4.090 4.320 0.001 0.000 0.220 264 A C 1.800 179.347 177.584 -0.062 0.000 1.185 264 A CA 1.691 53.688 52.037 -0.066 0.000 0.639 264 A CB -0.511 18.455 19.000 -0.057 0.000 0.820 264 A HN 0.773 nan 8.150 nan 0.000 0.451 265 E N -1.696 118.464 120.200 -0.067 0.000 2.502 265 E HA 0.270 4.620 4.350 0.001 0.000 0.194 265 E C 0.945 177.506 176.600 -0.064 0.000 1.062 265 E CA 0.262 56.626 56.400 -0.060 0.000 0.867 265 E CB -0.135 29.530 29.700 -0.059 0.000 0.888 265 E HN 0.819 nan 8.360 nan 0.000 0.510 266 G N 2.203 110.958 108.800 -0.076 0.000 2.140 266 G HA2 -0.258 3.702 3.960 0.001 0.000 0.211 266 G HA3 -0.258 3.702 3.960 0.001 0.000 0.211 266 G C -0.181 174.664 174.900 -0.092 0.000 1.013 266 G CA -0.286 44.766 45.100 -0.080 0.000 0.705 266 G HN 0.107 nan 8.290 nan 0.000 0.508 267 K N 0.875 121.212 120.400 -0.105 0.000 2.201 267 K HA 0.450 4.771 4.320 0.001 0.000 0.278 267 K C -2.557 173.954 176.600 -0.148 0.000 1.027 267 K CA -1.945 54.274 56.287 -0.114 0.000 0.909 267 K CB 1.504 33.939 32.500 -0.107 0.000 1.062 267 K HN -0.007 nan 8.250 nan 0.000 0.465 268 P HA 0.016 nan 4.420 nan 0.000 0.266 268 P C -0.764 176.412 177.300 -0.207 0.000 1.215 268 P CA 0.248 63.239 63.100 -0.181 0.000 0.763 268 P CB 0.426 32.043 31.700 -0.139 0.000 0.806 269 L N 2.419 123.463 121.223 -0.299 0.000 2.343 269 L HA 0.396 4.737 4.340 0.001 0.000 0.275 269 L C 0.975 177.732 176.870 -0.189 0.000 1.056 269 L CA -0.737 53.937 54.840 -0.277 0.000 0.804 269 L CB 1.158 43.001 42.059 -0.361 0.000 1.203 269 L HN 0.339 nan 8.230 nan 0.000 0.440 270 E N 2.381 122.536 120.200 -0.075 0.000 2.301 270 E HA 0.192 4.543 4.350 0.001 0.000 0.275 270 E C -0.331 176.379 176.600 0.183 0.000 1.030 270 E CA -0.697 55.697 56.400 -0.010 0.000 0.852 270 E CB 1.201 30.827 29.700 -0.124 0.000 1.060 270 E HN 0.373 nan 8.360 nan 0.000 0.401 271 R N 2.260 122.843 120.500 0.138 0.000 2.694 271 R HA 0.075 4.415 4.340 0.001 0.000 0.268 271 R C 0.796 177.066 176.300 -0.051 0.000 1.061 271 R CA 0.686 56.765 56.100 -0.036 0.000 1.133 271 R CB 0.612 30.726 30.300 -0.311 0.000 1.020 271 R HN 0.724 nan 8.270 nan 0.000 0.475 272 A N 4.031 126.860 122.820 0.015 0.000 1.972 272 A HA -0.195 4.126 4.320 0.001 0.000 0.219 272 A C 1.787 179.549 177.584 0.295 0.000 1.169 272 A CA 1.238 53.470 52.037 0.326 0.000 0.635 272 A CB -0.518 18.817 19.000 0.558 0.000 0.810 272 A HN 0.844 nan 8.150 nan 0.000 0.446 273 F N 1.083 121.037 119.950 0.006 0.000 2.234 273 F HA -0.083 4.445 4.527 0.001 0.000 0.296 273 F C 1.710 177.476 175.800 -0.057 0.000 1.089 273 F CA 1.730 59.745 58.000 0.026 0.000 1.343 273 F CB -0.084 38.938 39.000 0.037 0.000 1.040 273 F HN 0.232 nan 8.300 nan 0.000 0.498 274 N N -0.394 118.307 118.700 0.001 0.000 2.457 274 N HA -0.081 4.660 4.740 0.001 0.000 0.180 274 N C 1.619 176.980 175.510 -0.247 0.000 1.050 274 N CA 1.070 54.050 53.050 -0.116 0.000 0.906 274 N CB -0.218 38.186 38.487 -0.138 0.000 0.968 274 N HN 0.385 nan 8.380 nan 0.000 0.445 275 M N -1.661 117.752 119.600 -0.311 0.000 2.491 275 M HA 0.226 4.706 4.480 0.001 0.000 0.259 275 M C 0.132 176.036 176.300 -0.660 0.000 1.163 275 M CA 0.670 55.663 55.300 -0.511 0.000 1.109 275 M CB 0.387 32.590 32.600 -0.661 0.000 1.353 275 M HN -0.059 nan 8.290 nan 0.000 0.500 276 F N -0.825 118.957 119.950 -0.281 0.000 2.680 276 F HA 0.217 4.744 4.527 0.001 0.000 0.290 276 F C 1.583 177.119 175.800 -0.439 0.000 1.114 276 F CA 0.051 57.830 58.000 -0.369 0.000 1.333 276 F CB 0.279 38.982 39.000 -0.494 0.000 1.091 276 F HN 0.002 nan 8.300 nan 0.000 0.606 277 I N -0.784 119.514 120.570 -0.454 0.000 3.132 277 I HA 0.061 4.231 4.170 0.001 0.000 0.255 277 I C 2.081 177.796 176.117 -0.668 0.000 1.118 277 I CA 0.736 61.506 61.300 -0.885 0.000 1.463 277 I CB -1.183 36.023 38.000 -1.324 0.000 1.356 277 I HN 0.026 nan 8.210 nan 0.000 0.463 278 L N 0.740 121.671 121.223 -0.487 0.000 2.109 278 L HA -0.158 4.182 4.340 0.001 0.000 0.207 278 L C 2.243 179.082 176.870 -0.050 0.000 1.086 278 L CA 1.266 56.027 54.840 -0.132 0.000 0.760 278 L CB -0.457 41.595 42.059 -0.012 0.000 0.910 278 L HN 0.229 nan 8.230 nan 0.000 0.437 279 D N 0.161 120.446 120.400 -0.192 0.000 2.092 279 D HA -0.140 4.500 4.640 0.001 0.000 0.193 279 D C -0.552 175.713 176.300 -0.058 0.000 0.994 279 D CA 1.513 55.420 54.000 -0.155 0.000 0.828 279 D CB -0.824 39.848 40.800 -0.214 0.000 0.963 279 D HN 0.094 nan 8.370 nan 0.000 0.450 280 P HA -0.075 nan 4.420 nan 0.000 0.215 280 P C 1.614 178.843 177.300 -0.119 0.000 1.157 280 P CA 1.120 64.178 63.100 -0.071 0.000 0.868 280 P CB -0.075 31.627 31.700 0.003 0.000 0.788 281 I N -2.794 117.713 120.570 -0.104 0.000 2.394 281 I HA -0.222 3.948 4.170 0.001 0.000 0.251 281 I C 2.135 178.158 176.117 -0.157 0.000 1.136 281 I CA 1.285 62.488 61.300 -0.163 0.000 1.425 281 I CB -0.664 37.196 38.000 -0.234 0.000 1.079 281 I HN -0.157 nan 8.210 nan 0.000 0.425 282 F N 1.523 121.334 119.950 -0.231 0.000 2.102 282 F HA -0.171 4.357 4.527 0.000 0.000 0.298 282 F C 2.610 178.380 175.800 -0.051 0.000 1.105 282 F CA 1.430 59.324 58.000 -0.176 0.000 1.239 282 F CB -0.289 38.627 39.000 -0.140 0.000 0.991 282 F HN -0.062 nan 8.300 nan 0.000 0.474 283 R N 0.194 120.763 120.500 0.115 0.000 2.115 283 R HA -0.066 4.275 4.340 0.001 0.000 0.230 283 R C 2.242 178.552 176.300 0.017 0.000 1.111 283 R CA 0.858 56.989 56.100 0.051 0.000 0.976 283 R CB -1.340 28.962 30.300 0.003 0.000 0.870 283 R HN 0.357 nan 8.270 nan 0.000 0.445 284 L N -0.699 120.524 121.223 0.000 0.000 2.141 284 L HA -0.053 4.287 4.340 0.001 0.000 0.209 284 L C 2.026 178.895 176.870 -0.003 0.000 1.094 284 L CA 1.094 55.910 54.840 -0.040 0.000 0.763 284 L CB -0.323 41.664 42.059 -0.120 0.000 0.908 284 L HN 0.050 nan 8.230 nan 0.000 0.437 285 F N -0.761 119.069 119.950 -0.201 0.000 2.367 285 F HA -0.121 4.406 4.527 0.000 0.000 0.298 285 F C 2.430 178.141 175.800 -0.149 0.000 1.094 285 F CA 0.909 58.788 58.000 -0.201 0.000 1.409 285 F CB -0.145 38.687 39.000 -0.282 0.000 1.064 285 F HN -0.025 nan 8.300 nan 0.000 0.528 286 T N -0.793 113.807 114.554 0.077 0.000 3.014 286 T HA 0.034 4.384 4.350 0.001 0.000 0.263 286 T C 2.054 176.742 174.700 -0.020 0.000 1.078 286 T CA 0.985 63.105 62.100 0.033 0.000 1.135 286 T CB -0.110 68.796 68.868 0.064 0.000 0.895 286 T HN 0.259 nan 8.240 nan 0.000 0.480 287 A N 0.532 123.329 122.820 -0.037 0.000 2.044 287 A HA 0.326 4.646 4.320 0.001 0.000 0.213 287 A C 2.097 179.622 177.584 -0.099 0.000 1.169 287 A CA 0.347 52.353 52.037 -0.052 0.000 0.724 287 A CB -0.310 18.665 19.000 -0.042 0.000 0.840 287 A HN 0.450 nan 8.150 nan 0.000 0.463 288 I N -0.791 119.688 120.570 -0.152 0.000 2.429 288 I HA -0.139 4.031 4.170 0.001 0.000 0.247 288 I C 2.443 178.333 176.117 -0.378 0.000 1.099 288 I CA 0.660 61.829 61.300 -0.218 0.000 1.422 288 I CB -0.227 37.631 38.000 -0.237 0.000 1.112 288 I HN 0.199 nan 8.210 nan 0.000 0.430 289 M N 0.638 120.020 119.600 -0.363 0.000 2.086 289 M HA -0.171 4.309 4.480 0.001 0.000 0.261 289 M C 1.496 177.384 176.300 -0.687 0.000 1.067 289 M CA 1.756 56.769 55.300 -0.479 0.000 1.116 289 M CB -1.542 30.912 32.600 -0.243 0.000 1.348 289 M HN 0.189 nan 8.290 nan 0.000 0.407 290 N N -0.131 118.365 118.700 -0.341 0.000 2.515 290 N HA 0.020 4.760 4.740 0.001 0.000 0.191 290 N C -0.367 175.154 175.510 0.018 0.000 1.182 290 N CA 0.100 53.070 53.050 -0.133 0.000 0.879 290 N CB -0.589 37.889 38.487 -0.014 0.000 0.984 290 N HN 0.232 nan 8.380 nan 0.000 0.453 291 F N -0.813 119.132 119.950 -0.009 0.000 3.093 291 F HA -0.290 4.238 4.527 0.001 0.000 0.287 291 F C 0.016 175.811 175.800 -0.008 0.000 0.882 291 F CA 0.284 58.278 58.000 -0.010 0.000 1.063 291 F CB -2.267 36.729 39.000 -0.006 0.000 1.097 291 F HN 0.000 nan 8.300 nan 0.000 0.604 292 K N 1.069 121.517 120.400 0.080 0.000 2.095 292 K HA 0.083 4.403 4.320 0.001 0.000 0.258 292 K C 1.072 177.698 176.600 0.043 0.000 1.120 292 K CA -0.096 56.224 56.287 0.056 0.000 1.026 292 K CB 0.150 32.662 32.500 0.021 0.000 1.256 292 K HN 0.397 nan 8.250 nan 0.000 0.360 293 K N 0.867 121.303 120.400 0.060 0.000 2.442 293 K HA -0.109 4.212 4.320 0.001 0.000 0.198 293 K C 0.549 177.164 176.600 0.024 0.000 1.042 293 K CA 0.765 57.078 56.287 0.043 0.000 0.958 293 K CB 0.189 32.717 32.500 0.047 0.000 0.766 293 K HN 0.371 nan 8.250 nan 0.000 0.474 294 D N 0.825 121.238 120.400 0.021 0.000 2.305 294 D HA -0.044 4.596 4.640 0.001 0.000 0.206 294 D C 1.329 177.633 176.300 0.006 0.000 0.974 294 D CA 0.864 54.872 54.000 0.013 0.000 0.871 294 D CB 0.373 41.181 40.800 0.013 0.000 0.947 294 D HN 0.317 nan 8.370 nan 0.000 0.516 295 E N 0.005 120.207 120.200 0.004 0.000 2.206 295 E HA 0.111 4.461 4.350 0.001 0.000 0.195 295 E C 2.226 178.817 176.600 -0.014 0.000 0.935 295 E CA -0.122 56.274 56.400 -0.006 0.000 0.875 295 E CB 0.486 30.181 29.700 -0.008 0.000 0.841 295 E HN 0.136 nan 8.360 nan 0.000 0.477 296 I N 2.807 123.368 120.570 -0.016 0.000 2.087 296 I HA -0.268 3.903 4.170 0.001 0.000 0.240 296 I C -0.530 175.573 176.117 -0.023 0.000 1.054 296 I CA 1.525 62.809 61.300 -0.027 0.000 1.311 296 I CB -1.583 36.405 38.000 -0.020 0.000 1.024 296 I HN 0.137 nan 8.210 nan 0.000 0.402 297 P HA -0.124 nan 4.420 nan 0.000 0.213 297 P C 1.962 179.256 177.300 -0.010 0.000 1.170 297 P CA 1.678 64.774 63.100 -0.007 0.000 0.898 297 P CB -0.187 31.512 31.700 -0.000 0.000 0.787 298 V N -0.060 119.849 119.914 -0.008 0.000 2.490 298 V HA -0.196 3.924 4.120 0.001 0.000 0.250 298 V C 2.716 178.801 176.094 -0.014 0.000 1.061 298 V CA 1.427 63.722 62.300 -0.007 0.000 1.064 298 V CB -1.357 30.464 31.823 -0.004 0.000 0.670 298 V HN 0.010 nan 8.190 nan 0.000 0.461 299 L N -0.681 120.527 121.223 -0.025 0.000 2.109 299 L HA -0.032 4.308 4.340 0.001 0.000 0.207 299 L C 2.067 178.904 176.870 -0.055 0.000 1.086 299 L CA 1.758 56.573 54.840 -0.041 0.000 0.760 299 L CB -0.477 41.550 42.059 -0.053 0.000 0.910 299 L HN 0.161 nan 8.230 nan 0.000 0.437 300 L N -0.439 120.755 121.223 -0.048 0.000 2.156 300 L HA -0.116 4.224 4.340 0.001 0.000 0.208 300 L C 2.512 179.372 176.870 -0.017 0.000 1.095 300 L CA 1.567 56.380 54.840 -0.045 0.000 0.770 300 L CB -0.863 41.178 42.059 -0.031 0.000 0.914 300 L HN 0.440 nan 8.230 nan 0.000 0.439 301 E N -0.012 120.182 120.200 -0.009 0.000 2.047 301 E HA -0.275 4.075 4.350 0.001 0.000 0.191 301 E C 2.211 178.815 176.600 0.007 0.000 0.987 301 E CA 1.125 57.526 56.400 0.002 0.000 0.799 301 E CB 0.012 29.714 29.700 0.002 0.000 0.752 301 E HN 0.353 nan 8.360 nan 0.000 0.449 302 K N 0.243 120.645 120.400 0.004 0.000 2.209 302 K HA -0.083 4.237 4.320 0.001 0.000 0.204 302 K C 1.642 178.258 176.600 0.027 0.000 1.048 302 K CA 0.863 57.158 56.287 0.014 0.000 0.940 302 K CB 0.056 32.564 32.500 0.014 0.000 0.729 302 K HN 0.226 nan 8.250 nan 0.000 0.451 303 L N 0.704 121.940 121.223 0.023 0.000 2.628 303 L HA 0.122 4.462 4.340 0.001 0.000 0.229 303 L C 0.005 176.939 176.870 0.106 0.000 1.137 303 L CA -0.029 54.853 54.840 0.070 0.000 0.909 303 L CB -0.080 41.968 42.059 -0.018 0.000 1.137 303 L HN 0.306 nan 8.230 nan 0.000 0.470 304 E N 1.831 122.066 120.200 0.057 0.000 2.271 304 E HA -0.224 4.126 4.350 0.001 0.000 0.223 304 E C -0.549 176.094 176.600 0.073 0.000 1.223 304 E CA 0.071 56.503 56.400 0.052 0.000 0.704 304 E CB -0.850 28.876 29.700 0.042 0.000 1.194 304 E HN 0.481 nan 8.360 nan 0.000 0.375 305 I N 2.242 122.846 120.570 0.057 0.000 2.437 305 I HA 0.225 4.395 4.170 0.001 0.000 0.279 305 I C 0.276 176.414 176.117 0.035 0.000 1.028 305 I CA -1.028 60.309 61.300 0.062 0.000 1.142 305 I CB 1.323 39.354 38.000 0.052 0.000 1.266 305 I HN 0.046 nan 8.210 nan 0.000 0.461 306 V N 5.268 125.203 119.914 0.036 0.000 2.383 306 V HA 0.536 4.656 4.120 0.001 0.000 0.275 306 V C 0.018 176.128 176.094 0.026 0.000 1.036 306 V CA -0.658 61.657 62.300 0.025 0.000 0.889 306 V CB 1.153 32.989 31.823 0.022 0.000 0.985 306 V HN 0.483 nan 8.190 nan 0.000 0.459 307 L N 4.437 125.672 121.223 0.020 0.000 2.418 307 L HA 0.508 4.849 4.340 0.001 0.000 0.265 307 L C 0.893 177.775 176.870 0.019 0.000 1.143 307 L CA -0.639 54.214 54.840 0.021 0.000 0.809 307 L CB 0.891 42.959 42.059 0.015 0.000 1.124 307 L HN 0.554 nan 8.230 nan 0.000 0.456 308 K N 2.369 122.781 120.400 0.020 0.000 3.165 308 K HA 0.221 4.542 4.320 0.001 0.000 0.259 308 K C 0.849 177.458 176.600 0.015 0.000 1.282 308 K CA 0.499 56.797 56.287 0.018 0.000 1.259 308 K CB 0.006 32.519 32.500 0.020 0.000 1.546 308 K HN 0.944 nan 8.250 nan 0.000 0.384 309 G N 1.893 110.701 108.800 0.014 0.000 5.306 309 G HA2 -0.460 3.501 3.960 0.001 0.000 0.318 309 G HA3 -0.460 3.501 3.960 0.001 0.000 0.318 309 G C 1.019 175.927 174.900 0.012 0.000 1.413 309 G CA 0.522 45.629 45.100 0.012 0.000 0.981 309 G HN 0.473 nan 8.290 nan 0.000 0.788 310 D N 1.959 122.366 120.400 0.013 0.000 2.354 310 D HA 0.028 4.668 4.640 0.001 0.000 0.216 310 D C 2.115 178.425 176.300 0.015 0.000 0.970 310 D CA 1.675 55.682 54.000 0.013 0.000 0.905 310 D CB -0.249 40.559 40.800 0.013 0.000 0.903 310 D HN 0.710 nan 8.370 nan 0.000 0.508 311 E N -0.782 119.428 120.200 0.016 0.000 2.479 311 E HA 0.017 4.368 4.350 0.001 0.000 0.193 311 E C 1.515 178.124 176.600 0.015 0.000 1.049 311 E CA -0.058 56.352 56.400 0.017 0.000 0.870 311 E CB 0.396 30.108 29.700 0.019 0.000 0.944 311 E HN 0.032 nan 8.360 nan 0.000 0.492 312 K N 1.365 121.774 120.400 0.014 0.000 2.356 312 K HA -0.060 4.261 4.320 0.001 0.000 0.195 312 K C 0.797 177.408 176.600 0.018 0.000 1.037 312 K CA 0.906 57.201 56.287 0.014 0.000 1.014 312 K CB 0.484 32.991 32.500 0.012 0.000 0.815 312 K HN 0.172 nan 8.250 nan 0.000 0.507 313 D N -0.508 119.904 120.400 0.020 0.000 2.350 313 D HA -0.009 4.631 4.640 0.001 0.000 0.213 313 D C 0.689 177.010 176.300 0.035 0.000 1.031 313 D CA -0.080 53.934 54.000 0.024 0.000 0.861 313 D CB -0.110 40.701 40.800 0.018 0.000 0.926 313 D HN 0.002 nan 8.370 nan 0.000 0.520 314 L N 0.954 122.197 121.223 0.033 0.000 2.456 314 L HA 0.252 4.592 4.340 0.001 0.000 0.272 314 L C 0.529 177.439 176.870 0.067 0.000 1.189 314 L CA 0.462 55.328 54.840 0.042 0.000 0.846 314 L CB 0.500 42.575 42.059 0.027 0.000 1.111 314 L HN 0.091 nan 8.230 nan 0.000 0.475 315 E N 0.885 121.153 120.200 0.113 0.000 2.416 315 E HA 0.616 4.966 4.350 0.001 0.000 0.273 315 E C 0.051 176.774 176.600 0.204 0.000 0.935 315 E CA -0.369 56.159 56.400 0.214 0.000 0.784 315 E CB 2.115 32.071 29.700 0.427 0.000 1.301 315 E HN 0.724 nan 8.360 nan 0.000 0.454 316 G N 1.369 110.181 108.800 0.020 0.000 2.562 316 G HA2 -0.360 3.600 3.960 0.001 0.000 0.250 316 G HA3 -0.360 3.600 3.960 0.001 0.000 0.250 316 G C 0.396 175.232 174.900 -0.107 0.000 1.269 316 G CA 0.311 45.335 45.100 -0.127 0.000 0.919 316 G HN 0.553 nan 8.290 nan 0.000 0.574 317 K N 0.713 121.084 120.400 -0.048 0.000 2.442 317 K HA 0.140 4.460 4.320 0.001 0.000 0.198 317 K C 2.771 179.352 176.600 -0.030 0.000 1.044 317 K CA 1.318 57.582 56.287 -0.039 0.000 0.948 317 K CB -0.235 32.261 32.500 -0.007 0.000 0.762 317 K HN 0.672 nan 8.250 nan 0.000 0.472 318 A N 0.872 123.688 122.820 -0.006 0.000 2.016 318 A HA -0.077 4.243 4.320 0.001 0.000 0.217 318 A C 1.965 179.546 177.584 -0.004 0.000 1.162 318 A CA 0.833 52.872 52.037 0.003 0.000 0.662 318 A CB -0.110 18.906 19.000 0.027 0.000 0.812 318 A HN 0.231 nan 8.150 nan 0.000 0.450 319 L N -1.363 119.846 121.223 -0.023 0.000 2.253 319 L HA 0.189 4.530 4.340 0.001 0.000 0.205 319 L C 2.005 178.833 176.870 -0.070 0.000 1.078 319 L CA 1.229 56.048 54.840 -0.035 0.000 0.805 319 L CB -0.448 41.588 42.059 -0.038 0.000 0.963 319 L HN 0.250 nan 8.230 nan 0.000 0.459 320 L N -0.064 121.082 121.223 -0.128 0.000 2.093 320 L HA -0.146 4.195 4.340 0.001 0.000 0.208 320 L C 2.284 179.105 176.870 -0.083 0.000 1.085 320 L CA 1.765 56.473 54.840 -0.221 0.000 0.755 320 L CB -0.695 41.114 42.059 -0.418 0.000 0.904 320 L HN 0.231 nan 8.230 nan 0.000 0.435 321 K N -1.509 118.909 120.400 0.031 0.000 2.362 321 K HA -0.042 4.278 4.320 0.001 0.000 0.200 321 K C 1.765 178.430 176.600 0.109 0.000 1.046 321 K CA 0.972 57.339 56.287 0.134 0.000 0.952 321 K CB 0.073 32.600 32.500 0.045 0.000 0.753 321 K HN 0.269 nan 8.250 nan 0.000 0.466 322 V N -0.059 119.887 119.914 0.053 0.000 2.575 322 V HA -0.114 4.006 4.120 0.001 0.000 0.242 322 V C 2.006 178.139 176.094 0.065 0.000 1.045 322 V CA 0.831 63.166 62.300 0.058 0.000 1.065 322 V CB 0.250 32.093 31.823 0.033 0.000 0.717 322 V HN -0.018 nan 8.190 nan 0.000 0.467 323 V N -0.078 119.852 119.914 0.027 0.000 2.490 323 V HA -0.235 3.885 4.120 0.001 0.000 0.250 323 V C 2.438 178.591 176.094 0.099 0.000 1.061 323 V CA 1.585 63.901 62.300 0.026 0.000 1.064 323 V CB -0.557 31.233 31.823 -0.055 0.000 0.670 323 V HN 0.416 nan 8.190 nan 0.000 0.461 324 M N -0.806 118.858 119.600 0.107 0.000 2.419 324 M HA -0.011 4.469 4.480 0.001 0.000 0.264 324 M C 2.254 178.743 176.300 0.315 0.000 1.082 324 M CA 1.294 56.719 55.300 0.208 0.000 1.119 324 M CB -0.910 31.749 32.600 0.099 0.000 1.398 324 M HN 0.315 nan 8.290 nan 0.000 0.453 325 R N 0.312 120.958 120.500 0.244 0.000 2.073 325 R HA -0.082 4.258 4.340 0.001 0.000 0.229 325 R C 2.092 178.494 176.300 0.170 0.000 1.120 325 R CA 1.105 57.334 56.100 0.214 0.000 0.967 325 R CB -0.046 30.349 30.300 0.159 0.000 0.862 325 R HN 0.379 nan 8.270 nan 0.000 0.436 326 K N -0.473 120.021 120.400 0.157 0.000 2.186 326 K HA -0.043 4.277 4.320 0.001 0.000 0.202 326 K C 1.752 178.448 176.600 0.160 0.000 1.052 326 K CA 0.687 57.051 56.287 0.128 0.000 0.965 326 K CB -0.065 32.499 32.500 0.106 0.000 0.746 326 K HN 0.036 nan 8.250 nan 0.000 0.457 327 F N 1.288 121.270 119.950 0.053 0.000 2.113 327 F HA 0.039 4.567 4.527 0.001 0.000 0.297 327 F C 0.428 176.256 175.800 0.047 0.000 1.103 327 F CA 1.049 59.074 58.000 0.042 0.000 1.248 327 F CB 0.313 39.339 39.000 0.045 0.000 0.999 327 F HN -0.205 nan 8.300 nan 0.000 0.475 328 L N 1.574 122.791 121.223 -0.010 0.000 2.514 328 L HA 0.321 4.661 4.340 0.001 0.000 0.257 328 L C -2.595 174.373 176.870 0.164 0.000 1.101 328 L CA -1.954 52.858 54.840 -0.047 0.000 0.911 328 L CB 1.320 43.422 42.059 0.071 0.000 1.162 328 L HN -0.194 nan 8.230 nan 0.000 0.477 329 P HA -0.002 nan 4.420 nan 0.000 0.260 329 P C 0.773 178.137 177.300 0.107 0.000 1.207 329 P CA 0.232 63.394 63.100 0.103 0.000 0.780 329 P CB 1.228 32.957 31.700 0.048 0.000 0.789 330 A N 5.198 128.100 122.820 0.137 0.000 1.940 330 A HA -0.200 4.120 4.320 0.001 0.000 0.219 330 A C 2.133 179.734 177.584 0.028 0.000 1.176 330 A CA 2.117 54.202 52.037 0.081 0.000 0.631 330 A CB -1.311 17.723 19.000 0.055 0.000 0.814 330 A HN 0.491 nan 8.150 nan 0.000 0.446 331 A N 0.103 122.944 122.820 0.035 0.000 1.902 331 A HA -0.155 4.165 4.320 0.001 0.000 0.217 331 A C 1.713 179.299 177.584 0.003 0.000 1.181 331 A CA 1.956 54.003 52.037 0.017 0.000 0.623 331 A CB -0.615 18.403 19.000 0.030 0.000 0.818 331 A HN 0.481 nan 8.150 nan 0.000 0.443 332 D N 0.105 120.509 120.400 0.006 0.000 2.117 332 D HA 0.033 4.673 4.640 0.001 0.000 0.198 332 D C 2.119 178.403 176.300 -0.027 0.000 0.982 332 D CA 1.441 55.433 54.000 -0.013 0.000 0.828 332 D CB -0.315 40.476 40.800 -0.015 0.000 0.967 332 D HN 0.425 nan 8.370 nan 0.000 0.464 333 A N 0.074 122.883 122.820 -0.017 0.000 2.019 333 A HA -0.055 4.265 4.320 0.001 0.000 0.219 333 A C 2.003 179.551 177.584 -0.061 0.000 1.164 333 A CA 0.823 52.843 52.037 -0.029 0.000 0.644 333 A CB -0.531 18.467 19.000 -0.003 0.000 0.805 333 A HN 0.232 nan 8.150 nan 0.000 0.449 334 L N -1.198 119.992 121.223 -0.056 0.000 2.509 334 L HA 0.153 4.493 4.340 0.001 0.000 0.222 334 L C 1.784 178.621 176.870 -0.055 0.000 1.123 334 L CA 0.165 54.965 54.840 -0.066 0.000 0.856 334 L CB 0.021 42.045 42.059 -0.058 0.000 0.985 334 L HN 0.314 nan 8.230 nan 0.000 0.456 335 L N -1.112 120.080 121.223 -0.050 0.000 2.590 335 L HA 0.045 4.386 4.340 0.001 0.000 0.227 335 L C 2.282 179.097 176.870 -0.092 0.000 1.099 335 L CA 0.227 55.031 54.840 -0.060 0.000 0.872 335 L CB 0.110 42.142 42.059 -0.046 0.000 1.088 335 L HN 0.234 nan 8.230 nan 0.000 0.479 336 E N 0.972 121.123 120.200 -0.081 0.000 2.008 336 E HA -0.190 4.161 4.350 0.001 0.000 0.191 336 E C 2.243 178.788 176.600 -0.092 0.000 0.986 336 E CA 1.163 57.505 56.400 -0.096 0.000 0.807 336 E CB 0.025 29.687 29.700 -0.062 0.000 0.766 336 E HN 0.355 nan 8.360 nan 0.000 0.450 337 M N 0.746 120.333 119.600 -0.022 0.000 2.149 337 M HA -0.202 4.278 4.480 0.001 0.000 0.261 337 M C 2.235 178.572 176.300 0.060 0.000 1.064 337 M CA 1.010 56.381 55.300 0.118 0.000 1.102 337 M CB -0.303 32.324 32.600 0.045 0.000 1.369 337 M HN 0.210 nan 8.290 nan 0.000 0.408 338 I N -0.104 120.442 120.570 -0.039 0.000 2.099 338 I HA -0.222 3.949 4.170 0.001 0.000 0.239 338 I C 2.467 178.507 176.117 -0.129 0.000 1.066 338 I CA 1.558 62.822 61.300 -0.061 0.000 1.324 338 I CB -1.422 36.539 38.000 -0.066 0.000 1.037 338 I HN 0.140 nan 8.210 nan 0.000 0.401 339 V N 0.980 120.745 119.914 -0.249 0.000 2.358 339 V HA -0.212 3.909 4.120 0.001 0.000 0.246 339 V C 2.623 178.456 176.094 -0.435 0.000 1.047 339 V CA 1.315 63.327 62.300 -0.480 0.000 1.035 339 V CB -0.541 30.815 31.823 -0.779 0.000 0.658 339 V HN 0.322 nan 8.190 nan 0.000 0.452 340 L N -0.965 120.023 121.223 -0.391 0.000 2.093 340 L HA -0.126 4.214 4.340 0.001 0.000 0.208 340 L C 2.487 179.043 176.870 -0.524 0.000 1.085 340 L CA 1.455 55.999 54.840 -0.494 0.000 0.755 340 L CB -0.637 41.044 42.059 -0.630 0.000 0.904 340 L HN 0.487 nan 8.230 nan 0.000 0.435 341 H N -1.026 117.983 119.070 -0.102 0.000 2.317 341 H HA 0.245 4.801 4.556 0.001 0.000 0.291 341 H C 0.887 176.189 175.328 -0.044 0.000 0.999 341 H CA -0.488 55.523 56.048 -0.062 0.000 1.336 341 H CB -0.101 29.624 29.762 -0.061 0.000 1.485 341 H HN 0.054 nan 8.280 nan 0.000 0.597 342 L N 5.361 126.635 121.223 0.085 0.000 2.706 342 L HA -0.036 4.304 4.340 0.001 0.000 0.282 342 L C -1.817 175.078 176.870 0.041 0.000 1.219 342 L CA -1.021 53.847 54.840 0.047 0.000 0.935 342 L CB -0.118 41.953 42.059 0.021 0.000 1.204 342 L HN 0.083 nan 8.230 nan 0.000 0.491 343 P HA 0.046 nan 4.420 nan 0.000 0.272 343 P C -0.524 176.812 177.300 0.060 0.000 1.254 343 P CA -0.415 62.731 63.100 0.076 0.000 0.795 343 P CB 0.757 32.530 31.700 0.121 0.000 1.022 344 S N -1.518 114.216 115.700 0.056 0.000 2.739 344 S HA 0.479 4.949 4.470 0.001 0.000 0.306 344 S C -2.099 172.507 174.600 0.011 0.000 1.115 344 S CA -1.630 56.595 58.200 0.041 0.000 0.985 344 S CB 0.880 64.112 63.200 0.053 0.000 1.133 344 S HN 0.146 nan 8.310 nan 0.000 0.541 345 P HA -0.013 nan 4.420 nan 0.000 0.226 345 P C 1.035 178.316 177.300 -0.033 0.000 1.146 345 P CA 0.531 63.607 63.100 -0.040 0.000 0.773 345 P CB -0.100 31.559 31.700 -0.067 0.000 0.772 346 V N -1.821 118.084 119.914 -0.015 0.000 2.825 346 V HA -0.090 4.031 4.120 0.001 0.000 0.246 346 V C 2.176 178.266 176.094 -0.006 0.000 1.068 346 V CA 1.905 64.199 62.300 -0.010 0.000 1.088 346 V CB -1.357 30.467 31.823 0.002 0.000 0.733 346 V HN 0.140 nan 8.190 nan 0.000 0.468 347 T N 0.757 115.318 114.554 0.012 0.000 2.735 347 T HA 0.001 4.351 4.350 0.001 0.000 0.256 347 T C 2.153 176.826 174.700 -0.044 0.000 1.042 347 T CA 1.542 63.676 62.100 0.057 0.000 1.147 347 T CB -0.367 68.571 68.868 0.116 0.000 0.865 347 T HN 0.487 nan 8.240 nan 0.000 0.421 348 A N 1.694 124.416 122.820 -0.162 0.000 1.858 348 A HA -0.172 4.149 4.320 0.001 0.000 0.216 348 A C 2.229 179.373 177.584 -0.733 0.000 1.190 348 A CA 1.558 53.225 52.037 -0.616 0.000 0.617 348 A CB -0.851 18.002 19.000 -0.244 0.000 0.827 348 A HN 0.553 nan 8.150 nan 0.000 0.443 349 Q N -0.632 118.997 119.800 -0.284 0.000 2.368 349 Q HA -0.110 4.230 4.340 0.001 0.000 0.210 349 Q C 2.203 178.101 176.000 -0.170 0.000 0.982 349 Q CA 0.926 56.638 55.803 -0.153 0.000 0.884 349 Q CB -0.395 28.350 28.738 0.012 0.000 0.933 349 Q HN 0.721 nan 8.270 nan 0.000 0.460 350 A N 0.690 123.398 122.820 -0.188 0.000 1.930 350 A HA -0.166 4.154 4.320 0.001 0.000 0.217 350 A C 1.610 179.186 177.584 -0.012 0.000 1.175 350 A CA 1.286 53.287 52.037 -0.060 0.000 0.627 350 A CB -0.412 18.605 19.000 0.027 0.000 0.815 350 A HN 0.618 nan 8.150 nan 0.000 0.443 351 Y N -3.631 116.676 120.300 0.010 0.000 2.445 351 Y HA 0.513 5.064 4.550 0.001 0.000 0.247 351 Y C 1.544 177.443 175.900 -0.001 0.000 1.129 351 Y CA 0.061 58.163 58.100 0.003 0.000 1.251 351 Y CB 0.047 38.510 38.460 0.005 0.000 1.176 351 Y HN 0.090 nan 8.280 nan 0.000 0.522 352 R N 0.547 120.874 120.500 -0.289 0.000 2.468 352 R HA 0.478 4.818 4.340 0.001 0.000 0.280 352 R C 1.516 177.737 176.300 -0.131 0.000 0.963 352 R CA 0.615 56.617 56.100 -0.163 0.000 1.083 352 R CB 0.162 30.295 30.300 -0.279 0.000 1.200 352 R HN 0.397 nan 8.270 nan 0.000 0.541 353 A N 1.393 124.148 122.820 -0.109 0.000 1.874 353 A HA -0.149 4.172 4.320 0.001 0.000 0.214 353 A C 1.804 179.351 177.584 -0.061 0.000 1.189 353 A CA 1.204 53.177 52.037 -0.107 0.000 0.615 353 A CB -0.250 18.695 19.000 -0.091 0.000 0.830 353 A HN 0.572 nan 8.150 nan 0.000 0.443 354 E N -0.173 120.014 120.200 -0.023 0.000 2.160 354 E HA -0.307 4.043 4.350 0.001 0.000 0.195 354 E C 1.970 178.577 176.600 0.012 0.000 0.991 354 E CA 1.398 57.806 56.400 0.013 0.000 0.810 354 E CB -0.451 29.259 29.700 0.017 0.000 0.742 354 E HN 0.783 nan 8.360 nan 0.000 0.466 355 Q N 0.703 120.497 119.800 -0.010 0.000 2.378 355 Q HA -0.005 4.335 4.340 0.001 0.000 0.205 355 Q C 1.504 177.469 176.000 -0.059 0.000 0.954 355 Q CA 0.557 56.347 55.803 -0.022 0.000 0.901 355 Q CB 0.221 28.953 28.738 -0.010 0.000 0.981 355 Q HN 0.390 nan 8.270 nan 0.000 0.483 356 L N 0.437 121.603 121.223 -0.096 0.000 2.965 356 L HA 0.297 4.638 4.340 0.001 0.000 0.254 356 L C -0.853 175.970 176.870 -0.079 0.000 1.220 356 L CA -0.335 54.397 54.840 -0.181 0.000 1.023 356 L CB 0.498 42.321 42.059 -0.394 0.000 1.355 356 L HN 0.122 nan 8.230 nan 0.000 0.545 357 Y N 0.658 120.874 120.300 -0.140 0.000 2.322 357 Y HA 0.257 4.807 4.550 0.001 0.000 0.324 357 Y C 0.273 176.130 175.900 -0.072 0.000 1.027 357 Y CA -0.835 57.211 58.100 -0.090 0.000 1.179 357 Y CB 1.215 39.624 38.460 -0.085 0.000 1.136 357 Y HN 0.077 nan 8.280 nan 0.000 0.449 358 E N 4.483 124.416 120.200 -0.445 0.000 2.452 358 E HA 0.318 4.669 4.350 0.001 0.000 0.293 358 E C 0.204 176.441 176.600 -0.604 0.000 1.535 358 E CA -0.078 56.108 56.400 -0.355 0.000 1.816 358 E CB 0.084 29.667 29.700 -0.194 0.000 1.494 358 E HN 0.805 nan 8.360 nan 0.000 0.464 359 G N 1.068 109.466 108.800 -0.671 0.000 2.870 359 G HA2 0.359 4.320 3.960 0.001 0.000 0.299 359 G HA3 0.359 4.320 3.960 0.001 0.000 0.299 359 G C -2.847 171.978 174.900 -0.125 0.000 1.324 359 G CA -1.173 43.470 45.100 -0.762 0.000 0.808 359 G HN -0.083 nan 8.290 nan 0.000 0.535 360 P HA 0.284 nan 4.420 nan 0.000 0.263 360 P C 0.639 177.996 177.300 0.095 0.000 1.195 360 P CA 0.437 63.567 63.100 0.050 0.000 0.762 360 P CB 1.236 32.984 31.700 0.079 0.000 0.799 361 A N 3.436 126.285 122.820 0.047 0.000 2.216 361 A HA -0.140 4.180 4.320 0.001 0.000 0.214 361 A C 1.099 178.680 177.584 -0.005 0.000 1.160 361 A CA 1.501 53.554 52.037 0.028 0.000 0.725 361 A CB -0.727 18.282 19.000 0.016 0.000 0.784 361 A HN 0.604 nan 8.150 nan 0.000 0.472 362 D N -1.559 118.842 120.400 0.002 0.000 2.469 362 D HA 0.131 4.771 4.640 0.001 0.000 0.215 362 D C -0.011 176.282 176.300 -0.012 0.000 1.154 362 D CA -0.414 53.580 54.000 -0.010 0.000 0.832 362 D CB -0.389 40.412 40.800 0.001 0.000 1.008 362 D HN 0.170 nan 8.370 nan 0.000 0.506 363 D N 0.373 120.769 120.400 -0.008 0.000 2.419 363 D HA 0.232 4.872 4.640 0.001 0.000 0.236 363 D C 1.515 177.783 176.300 -0.052 0.000 1.165 363 D CA 0.423 54.427 54.000 0.006 0.000 0.882 363 D CB 1.296 42.144 40.800 0.079 0.000 1.201 363 D HN 0.069 nan 8.370 nan 0.000 0.443 364 A N 3.413 126.222 122.820 -0.018 0.000 2.024 364 A HA -0.241 4.079 4.320 0.001 0.000 0.220 364 A C 1.749 179.292 177.584 -0.068 0.000 1.164 364 A CA 1.542 53.561 52.037 -0.030 0.000 0.643 364 A CB -0.423 18.576 19.000 -0.002 0.000 0.806 364 A HN 0.646 nan 8.150 nan 0.000 0.451 365 N N -1.088 117.544 118.700 -0.113 0.000 2.305 365 N HA -0.071 4.670 4.740 0.001 0.000 0.179 365 N C 1.611 176.916 175.510 -0.342 0.000 1.019 365 N CA 1.180 54.122 53.050 -0.179 0.000 0.869 365 N CB -0.959 37.450 38.487 -0.130 0.000 1.000 365 N HN 0.497 nan 8.380 nan 0.000 0.431 366 C N 0.829 119.786 119.300 -0.571 0.000 2.422 366 C HA 0.076 4.537 4.460 0.001 0.000 0.279 366 C C 2.357 177.199 174.990 -0.247 0.000 1.305 366 C CA 0.416 59.096 59.018 -0.563 0.000 1.757 366 C CB -1.251 26.166 27.740 -0.538 0.000 1.962 366 C HN 0.367 nan 8.230 nan 0.000 0.499 367 I N 1.179 121.648 120.570 -0.169 0.000 2.353 367 I HA -0.082 4.088 4.170 0.001 0.000 0.248 367 I C 2.756 178.829 176.117 -0.074 0.000 1.119 367 I CA 1.380 62.624 61.300 -0.093 0.000 1.417 367 I CB -0.578 37.385 38.000 -0.063 0.000 1.078 367 I HN 0.336 nan 8.210 nan 0.000 0.421 368 A N 0.973 123.744 122.820 -0.081 0.000 2.121 368 A HA -0.086 4.234 4.320 0.001 0.000 0.218 368 A C 2.157 179.721 177.584 -0.032 0.000 1.154 368 A CA 1.024 53.033 52.037 -0.047 0.000 0.679 368 A CB -0.410 18.567 19.000 -0.039 0.000 0.795 368 A HN 0.304 nan 8.150 nan 0.000 0.458 369 I N -0.360 120.176 120.570 -0.058 0.000 2.339 369 I HA -0.108 4.062 4.170 0.001 0.000 0.245 369 I C 2.101 178.210 176.117 -0.013 0.000 1.096 369 I CA 1.186 62.476 61.300 -0.016 0.000 1.408 369 I CB -1.320 36.637 38.000 -0.072 0.000 1.092 369 I HN 0.304 nan 8.210 nan 0.000 0.423 370 K N 1.067 121.441 120.400 -0.043 0.000 2.063 370 K HA -0.150 4.170 4.320 0.001 0.000 0.208 370 K C 1.561 178.149 176.600 -0.020 0.000 1.048 370 K CA 1.382 57.649 56.287 -0.034 0.000 0.928 370 K CB -0.116 32.365 32.500 -0.031 0.000 0.713 370 K HN 0.315 nan 8.250 nan 0.000 0.442 371 N N 0.168 118.857 118.700 -0.018 0.000 2.422 371 N HA -0.059 4.681 4.740 0.001 0.000 0.181 371 N C 0.464 175.969 175.510 -0.009 0.000 1.080 371 N CA 0.396 53.439 53.050 -0.012 0.000 0.893 371 N CB -0.085 38.394 38.487 -0.014 0.000 0.973 371 N HN 0.186 nan 8.380 nan 0.000 0.456 372 C N 2.027 121.326 119.300 -0.002 0.000 4.268 372 C HA -0.230 4.231 4.460 0.001 0.000 0.299 372 C C 0.024 175.011 174.990 -0.005 0.000 1.429 372 C CA -0.431 58.589 59.018 0.003 0.000 2.018 372 C CB -2.572 25.164 27.740 -0.008 0.000 1.277 372 C HN 0.440 nan 8.230 nan 0.000 0.767 373 D N 1.507 121.903 120.400 -0.006 0.000 2.389 373 D HA 0.177 4.818 4.640 0.001 0.000 0.263 373 D C -0.460 175.836 176.300 -0.008 0.000 1.255 373 D CA -1.474 52.520 54.000 -0.009 0.000 0.914 373 D CB 0.828 41.621 40.800 -0.011 0.000 1.116 373 D HN 0.462 nan 8.370 nan 0.000 0.502 374 P HA -0.018 nan 4.420 nan 0.000 0.253 374 P C 0.320 177.612 177.300 -0.012 0.000 1.281 374 P CA 0.243 63.334 63.100 -0.015 0.000 0.792 374 P CB 0.436 32.123 31.700 -0.022 0.000 1.193 375 K N -0.799 119.595 120.400 -0.010 0.000 2.367 375 K HA 0.249 4.570 4.320 0.001 0.000 0.198 375 K C 1.412 178.008 176.600 -0.005 0.000 1.132 375 K CA 0.172 56.453 56.287 -0.008 0.000 0.941 375 K CB -0.169 32.325 32.500 -0.009 0.000 1.052 375 K HN 0.048 nan 8.250 nan 0.000 0.507 376 A N 2.160 124.977 122.820 -0.004 0.000 2.307 376 A HA 0.056 4.377 4.320 0.001 0.000 0.271 376 A C -0.169 177.417 177.584 0.004 0.000 1.188 376 A CA -0.067 51.969 52.037 -0.002 0.000 0.810 376 A CB -0.168 18.828 19.000 -0.007 0.000 1.123 376 A HN 0.145 nan 8.150 nan 0.000 0.509 377 D N -0.361 120.044 120.400 0.008 0.000 2.472 377 D HA 0.213 4.853 4.640 0.001 0.000 0.237 377 D C 0.173 176.488 176.300 0.025 0.000 1.141 377 D CA 0.088 54.098 54.000 0.016 0.000 0.875 377 D CB 0.263 41.077 40.800 0.023 0.000 1.192 377 D HN 0.363 nan 8.370 nan 0.000 0.450 378 L N 2.517 123.755 121.223 0.025 0.000 2.525 378 L HA 0.011 4.352 4.340 0.001 0.000 0.278 378 L C -0.059 176.851 176.870 0.066 0.000 1.218 378 L CA 0.689 55.550 54.840 0.035 0.000 0.878 378 L CB 0.119 42.190 42.059 0.021 0.000 1.127 378 L HN 0.274 nan 8.230 nan 0.000 0.492 379 M N 7.430 127.088 119.600 0.097 0.000 2.720 379 M HA 0.260 4.741 4.480 0.001 0.000 0.250 379 M C -0.995 175.441 176.300 0.227 0.000 1.280 379 M CA -0.121 55.276 55.300 0.161 0.000 0.579 379 M CB 0.434 33.135 32.600 0.169 0.000 1.469 379 M HN 0.520 nan 8.290 nan 0.000 0.416 380 L N 1.428 122.751 121.223 0.168 0.000 2.265 380 L HA 0.385 4.725 4.340 0.001 0.000 0.288 380 L C -1.095 175.916 176.870 0.235 0.000 1.058 380 L CA -0.559 54.382 54.840 0.169 0.000 0.809 380 L CB 0.929 43.025 42.059 0.062 0.000 1.179 380 L HN 0.443 nan 8.230 nan 0.000 0.429 381 Y N 4.813 125.253 120.300 0.233 0.000 2.327 381 Y HA 0.418 4.968 4.550 0.001 0.000 0.336 381 Y C -0.547 175.439 175.900 0.144 0.000 1.035 381 Y CA -0.428 57.810 58.100 0.230 0.000 1.165 381 Y CB 1.303 40.000 38.460 0.395 0.000 1.181 381 Y HN 0.263 nan 8.280 nan 0.000 0.494 382 V N 7.028 126.724 119.914 -0.364 0.000 2.383 382 V HA 0.158 4.279 4.120 0.001 0.000 0.275 382 V C 0.242 176.179 176.094 -0.261 0.000 1.036 382 V CA 0.133 62.312 62.300 -0.201 0.000 0.889 382 V CB 1.030 32.782 31.823 -0.118 0.000 0.985 382 V HN 1.048 nan 8.190 nan 0.000 0.459 383 S N 3.832 119.598 115.700 0.109 0.000 2.384 383 S HA 0.154 4.624 4.470 0.001 0.000 0.217 383 S C 0.496 175.217 174.600 0.202 0.000 1.041 383 S CA 0.277 58.654 58.200 0.293 0.000 0.948 383 S CB 0.151 63.651 63.200 0.501 0.000 0.872 383 S HN 0.862 nan 8.310 nan 0.000 0.512 384 K N -0.021 120.512 120.400 0.223 0.000 2.482 384 K HA 0.557 4.878 4.320 0.001 0.000 0.257 384 K C -1.339 175.324 176.600 0.105 0.000 0.969 384 K CA -0.869 55.468 56.287 0.083 0.000 0.842 384 K CB 1.063 33.584 32.500 0.036 0.000 1.359 384 K HN -0.112 nan 8.250 nan 0.000 0.441 385 M N 2.503 122.110 119.600 0.012 0.000 2.180 385 M HA 0.279 4.759 4.480 0.001 0.000 0.350 385 M C -0.804 175.577 176.300 0.136 0.000 1.125 385 M CA -0.964 54.377 55.300 0.069 0.000 1.031 385 M CB 1.124 33.680 32.600 -0.074 0.000 1.623 385 M HN 0.610 nan 8.290 nan 0.000 0.451 386 V N 6.708 126.749 119.914 0.211 0.000 2.398 386 V HA 0.548 4.668 4.120 0.001 0.000 0.286 386 V C -2.337 173.840 176.094 0.138 0.000 1.026 386 V CA -2.095 60.297 62.300 0.155 0.000 0.868 386 V CB 1.980 33.845 31.823 0.070 0.000 0.982 386 V HN 0.597 nan 8.190 nan 0.000 0.443 387 P HA 0.223 nan 4.420 nan 0.000 0.267 387 P C -0.657 176.401 177.300 -0.404 0.000 1.200 387 P CA 0.359 63.251 63.100 -0.346 0.000 0.772 387 P CB 0.401 32.003 31.700 -0.165 0.000 0.855 388 T N -2.691 111.511 114.554 -0.587 0.000 2.906 388 T HA 0.364 4.714 4.350 0.001 0.000 0.295 388 T C 1.103 175.599 174.700 -0.340 0.000 1.061 388 T CA -0.251 61.557 62.100 -0.486 0.000 1.000 388 T CB 1.245 69.616 68.868 -0.828 0.000 1.103 388 T HN 0.258 nan 8.240 nan 0.000 0.486 389 S N 0.290 115.867 115.700 -0.204 0.000 2.423 389 S HA -0.065 4.406 4.470 0.001 0.000 0.231 389 S C 0.740 175.270 174.600 -0.117 0.000 1.014 389 S CA 0.790 58.912 58.200 -0.130 0.000 0.965 389 S CB -0.756 62.408 63.200 -0.060 0.000 0.785 389 S HN 0.864 nan 8.310 nan 0.000 0.495 390 D N 2.355 122.684 120.400 -0.118 0.000 2.385 390 D HA 0.293 4.934 4.640 0.001 0.000 0.260 390 D C 0.307 176.536 176.300 -0.119 0.000 1.326 390 D CA 0.272 54.228 54.000 -0.073 0.000 1.023 390 D CB -0.355 40.447 40.800 0.002 0.000 1.083 390 D HN 0.285 nan 8.370 nan 0.000 0.517 391 K N 1.794 122.137 120.400 -0.095 0.000 1.682 391 K HA -0.184 4.136 4.320 0.001 0.000 0.585 391 K C 0.797 177.292 176.600 -0.174 0.000 1.828 391 K CA 1.504 57.731 56.287 -0.100 0.000 0.967 391 K CB -1.210 31.249 32.500 -0.069 0.000 1.624 391 K HN 0.419 nan 8.250 nan 0.000 0.656 392 G N 1.089 109.794 108.800 -0.158 0.000 3.379 392 G HA2 0.092 4.053 3.960 0.001 0.000 0.253 392 G HA3 0.092 4.053 3.960 0.001 0.000 0.253 392 G C -0.121 174.558 174.900 -0.367 0.000 1.262 392 G CA -0.113 44.847 45.100 -0.234 0.000 0.959 392 G HN 0.273 nan 8.290 nan 0.000 0.524 393 R N -0.264 120.022 120.500 -0.356 0.000 2.615 393 R HA 0.451 4.792 4.340 0.001 0.000 0.270 393 R C -0.943 174.978 176.300 -0.632 0.000 1.081 393 R CA -0.120 55.807 56.100 -0.288 0.000 1.154 393 R CB 0.456 30.664 30.300 -0.153 0.000 1.063 393 R HN 0.139 nan 8.270 nan 0.000 0.519 394 F N 0.261 120.110 119.950 -0.168 0.000 2.563 394 F HA 0.356 4.883 4.527 0.001 0.000 0.316 394 F C -0.432 175.359 175.800 -0.015 0.000 1.076 394 F CA -0.979 56.917 58.000 -0.174 0.000 0.921 394 F CB 1.284 40.238 39.000 -0.077 0.000 1.209 394 F HN 0.201 nan 8.300 nan 0.000 0.462 395 Y N 1.240 121.651 120.300 0.185 0.000 2.360 395 Y HA 0.631 5.182 4.550 0.001 0.000 0.337 395 Y C 0.242 176.236 175.900 0.157 0.000 1.039 395 Y CA -2.317 55.865 58.100 0.137 0.000 1.109 395 Y CB 1.219 39.739 38.460 0.101 0.000 1.201 395 Y HN 0.647 nan 8.280 nan 0.000 0.458 396 A N 4.474 127.469 122.820 0.292 0.000 2.404 396 A HA 0.362 4.682 4.320 0.001 0.000 0.273 396 A C -0.949 176.764 177.584 0.215 0.000 1.144 396 A CA -0.229 51.928 52.037 0.201 0.000 0.806 396 A CB -0.657 18.415 19.000 0.120 0.000 1.080 396 A HN 0.617 nan 8.150 nan 0.000 0.509 397 F N 3.384 123.388 119.950 0.090 0.000 2.415 397 F HA 0.647 5.174 4.527 0.001 0.000 0.348 397 F C 0.539 176.390 175.800 0.086 0.000 1.119 397 F CA 0.718 58.767 58.000 0.083 0.000 1.069 397 F CB 1.158 40.206 39.000 0.081 0.000 1.124 397 F HN 0.787 nan 8.300 nan 0.000 0.472 398 G N 5.275 113.710 108.800 -0.609 0.000 2.561 398 G HA2 0.439 4.399 3.960 0.001 0.000 0.310 398 G HA3 0.439 4.399 3.960 0.001 0.000 0.310 398 G C -2.099 172.558 174.900 -0.404 0.000 1.292 398 G CA -1.194 43.708 45.100 -0.330 0.000 0.811 398 G HN 0.759 nan 8.290 nan 0.000 0.482 399 R N -0.317 120.087 120.500 -0.160 0.000 2.575 399 R HA 0.579 4.919 4.340 0.001 0.000 0.293 399 R C -1.229 174.886 176.300 -0.308 0.000 0.983 399 R CA -0.545 55.355 56.100 -0.334 0.000 0.887 399 R CB 2.172 32.152 30.300 -0.533 0.000 1.184 399 R HN 0.355 nan 8.270 nan 0.000 0.445 400 V N 6.350 126.089 119.914 -0.291 0.000 2.387 400 V HA 0.137 4.257 4.120 0.001 0.000 0.260 400 V C 0.384 176.338 176.094 -0.233 0.000 1.054 400 V CA 0.216 62.421 62.300 -0.158 0.000 0.967 400 V CB 0.394 32.153 31.823 -0.107 0.000 1.036 400 V HN 0.767 nan 8.190 nan 0.000 0.481 401 F N 2.785 122.741 119.950 0.010 0.000 2.743 401 F HA 0.534 5.062 4.527 0.001 0.000 0.297 401 F C 1.184 176.974 175.800 -0.017 0.000 1.131 401 F CA 0.756 58.752 58.000 -0.006 0.000 1.426 401 F CB 0.339 39.344 39.000 0.009 0.000 1.116 401 F HN 0.596 nan 8.300 nan 0.000 0.583 402 A N -1.150 121.749 122.820 0.131 0.000 2.608 402 A HA 0.605 4.925 4.320 0.001 0.000 0.292 402 A C 0.235 177.841 177.584 0.036 0.000 1.066 402 A CA -0.308 51.768 52.037 0.066 0.000 0.676 402 A CB 0.180 19.217 19.000 0.062 0.000 1.277 402 A HN 0.648 nan 8.150 nan 0.000 0.413 403 G N -0.065 108.743 108.800 0.014 0.000 2.601 403 G HA2 0.385 4.345 3.960 0.001 0.000 0.261 403 G HA3 0.385 4.345 3.960 0.001 0.000 0.261 403 G C 0.206 175.102 174.900 -0.006 0.000 1.289 403 G CA 0.662 45.765 45.100 0.004 0.000 0.920 403 G HN 2.852 nan 8.290 nan 0.000 0.571 404 T N -3.793 110.755 114.554 -0.009 0.000 2.952 404 T HA 0.643 4.993 4.350 0.001 0.000 0.305 404 T C -0.491 174.199 174.700 -0.018 0.000 1.064 404 T CA 0.110 62.199 62.100 -0.018 0.000 1.008 404 T CB 1.878 70.733 68.868 -0.021 0.000 1.078 404 T HN 2.011 nan 8.240 nan 0.000 0.459 405 V N 2.760 122.659 119.914 -0.024 0.000 2.481 405 V HA 0.694 4.814 4.120 0.001 0.000 0.286 405 V C -0.719 175.359 176.094 -0.027 0.000 1.042 405 V CA -0.333 61.953 62.300 -0.024 0.000 0.928 405 V CB 1.024 32.830 31.823 -0.029 0.000 0.986 405 V HN 0.976 nan 8.190 nan 0.000 0.462 406 K N 3.843 124.229 120.400 -0.024 0.000 2.435 406 K HA 0.527 4.847 4.320 0.001 0.000 0.251 406 K C -0.662 175.924 176.600 -0.025 0.000 0.954 406 K CA -0.676 55.596 56.287 -0.024 0.000 0.820 406 K CB 2.165 34.653 32.500 -0.020 0.000 1.292 406 K HN 0.600 nan 8.250 nan 0.000 0.436 407 S N 0.628 116.313 115.700 -0.025 0.000 2.510 407 S HA 0.294 4.764 4.470 0.001 0.000 0.279 407 S C 1.100 175.689 174.600 -0.018 0.000 1.284 407 S CA 0.715 58.900 58.200 -0.025 0.000 1.059 407 S CB 0.634 63.818 63.200 -0.027 0.000 0.901 407 S HN 0.963 nan 8.310 nan 0.000 0.491 408 G N 2.357 111.148 108.800 -0.016 0.000 2.268 408 G HA2 -0.271 3.690 3.960 0.001 0.000 0.240 408 G HA3 -0.271 3.690 3.960 0.001 0.000 0.240 408 G C 0.156 175.049 174.900 -0.013 0.000 1.010 408 G CA 0.169 45.262 45.100 -0.011 0.000 0.618 408 G HN 0.720 nan 8.290 nan 0.000 0.516 409 Q N 1.680 121.471 119.800 -0.016 0.000 2.315 409 Q HA 0.312 4.652 4.340 0.001 0.000 0.289 409 Q C 0.706 176.692 176.000 -0.022 0.000 1.044 409 Q CA 0.463 56.255 55.803 -0.018 0.000 0.920 409 Q CB 0.267 28.994 28.738 -0.018 0.000 1.214 409 Q HN 0.645 nan 8.270 nan 0.000 0.392 410 K N 1.708 122.093 120.400 -0.024 0.000 2.234 410 K HA 0.472 4.793 4.320 0.001 0.000 0.282 410 K C -1.135 175.442 176.600 -0.040 0.000 1.039 410 K CA -0.726 55.540 56.287 -0.034 0.000 0.928 410 K CB 1.350 33.831 32.500 -0.032 0.000 1.039 410 K HN 0.285 nan 8.250 nan 0.000 0.470 411 V N 2.760 122.641 119.914 -0.055 0.000 2.962 411 V HA 0.365 4.485 4.120 0.001 0.000 0.313 411 V C -0.404 175.639 176.094 -0.084 0.000 1.099 411 V CA -1.239 61.027 62.300 -0.056 0.000 0.971 411 V CB 1.962 33.758 31.823 -0.045 0.000 1.028 411 V HN 0.766 nan 8.190 nan 0.000 0.430 412 R N 2.880 123.329 120.500 -0.085 0.000 2.248 412 R HA 0.465 4.805 4.340 0.001 0.000 0.337 412 R C -0.620 175.591 176.300 -0.149 0.000 1.106 412 R CA -0.150 55.874 56.100 -0.128 0.000 0.959 412 R CB 0.293 30.511 30.300 -0.137 0.000 1.075 412 R HN 0.567 nan 8.270 nan 0.000 0.480 413 I N 4.188 124.679 120.570 -0.132 0.000 2.311 413 I HA -0.015 4.155 4.170 0.001 0.000 0.297 413 I C 0.317 176.370 176.117 -0.107 0.000 1.131 413 I CA 0.243 61.497 61.300 -0.078 0.000 1.289 413 I CB 0.230 38.215 38.000 -0.025 0.000 1.446 413 I HN 0.376 nan 8.210 nan 0.000 0.524 414 Q N 5.036 124.711 119.800 -0.207 0.000 2.322 414 Q HA 0.377 4.718 4.340 0.001 0.000 0.256 414 Q C 0.626 176.596 176.000 -0.051 0.000 0.960 414 Q CA -0.467 55.122 55.803 -0.357 0.000 0.934 414 Q CB 1.797 30.194 28.738 -0.567 0.000 1.200 414 Q HN 0.775 nan 8.270 nan 0.000 0.435 415 G N 2.861 111.707 108.800 0.077 0.000 2.588 415 G HA2 0.142 4.102 3.960 0.001 0.000 0.278 415 G HA3 0.142 4.102 3.960 0.001 0.000 0.278 415 G C -1.813 173.184 174.900 0.162 0.000 1.307 415 G CA -1.086 44.105 45.100 0.152 0.000 1.016 415 G HN 0.373 nan 8.290 nan 0.000 0.503 416 P HA -0.091 nan 4.420 nan 0.000 0.215 416 P C 1.427 178.806 177.300 0.132 0.000 1.157 416 P CA 0.947 64.124 63.100 0.129 0.000 0.868 416 P CB 0.175 31.947 31.700 0.119 0.000 0.788 417 N N -1.960 116.821 118.700 0.134 0.000 2.521 417 N HA -0.073 4.667 4.740 0.001 0.000 0.188 417 N C 0.298 175.870 175.510 0.103 0.000 1.146 417 N CA 0.134 53.247 53.050 0.105 0.000 0.893 417 N CB -0.715 37.830 38.487 0.095 0.000 0.975 417 N HN 0.274 nan 8.380 nan 0.000 0.451 418 Y N 0.894 121.208 120.300 0.023 0.000 2.411 418 Y HA 0.215 4.766 4.550 0.001 0.000 0.333 418 Y C -0.191 175.700 175.900 -0.016 0.000 1.186 418 Y CA -0.081 58.017 58.100 -0.004 0.000 1.381 418 Y CB 0.657 39.114 38.460 -0.005 0.000 1.273 418 Y HN -0.294 nan 8.280 nan 0.000 0.546 419 V N 8.581 127.931 119.914 -0.940 0.000 2.623 419 V HA 0.217 4.337 4.120 0.001 0.000 0.304 419 V C -1.900 173.572 176.094 -1.036 0.000 1.054 419 V CA -1.634 60.231 62.300 -0.726 0.000 0.882 419 V CB 1.893 33.514 31.823 -0.336 0.000 1.002 419 V HN 0.689 nan 8.190 nan 0.000 0.424 420 P HA -0.157 nan 4.420 nan 0.000 0.218 420 P C 1.510 178.645 177.300 -0.275 0.000 1.146 420 P CA 1.739 64.613 63.100 -0.376 0.000 0.820 420 P CB 0.297 31.796 31.700 -0.336 0.000 0.778 421 G N -0.512 108.124 108.800 -0.273 0.000 2.414 421 G HA2 -0.122 3.838 3.960 0.001 0.000 0.215 421 G HA3 -0.122 3.838 3.960 0.001 0.000 0.215 421 G C 0.713 175.518 174.900 -0.159 0.000 1.188 421 G CA 0.559 45.558 45.100 -0.168 0.000 0.783 421 G HN 0.276 nan 8.290 nan 0.000 0.537 422 K N -0.194 120.077 120.400 -0.216 0.000 2.240 422 K HA 0.381 4.702 4.320 0.001 0.000 0.237 422 K C 0.204 176.712 176.600 -0.154 0.000 1.027 422 K CA -0.602 55.592 56.287 -0.155 0.000 0.937 422 K CB 0.997 33.419 32.500 -0.129 0.000 1.171 422 K HN 0.197 nan 8.250 nan 0.000 0.479 423 K N 0.404 120.762 120.400 -0.071 0.000 2.576 423 K HA 0.179 4.500 4.320 0.001 0.000 0.209 423 K C -0.889 175.707 176.600 -0.006 0.000 1.049 423 K CA -0.306 55.978 56.287 -0.005 0.000 1.140 423 K CB 0.229 32.719 32.500 -0.017 0.000 0.871 423 K HN 0.295 nan 8.250 nan 0.000 0.479 424 D N 2.279 122.666 120.400 -0.022 0.000 2.302 424 D HA 0.026 4.666 4.640 0.001 0.000 0.248 424 D C 0.051 176.397 176.300 0.077 0.000 1.094 424 D CA 0.282 54.280 54.000 -0.004 0.000 0.897 424 D CB 0.796 41.590 40.800 -0.011 0.000 1.200 424 D HN 0.233 nan 8.370 nan 0.000 0.429 425 D N 0.693 121.095 120.400 0.003 0.000 2.697 425 D HA -0.205 4.436 4.640 0.001 0.000 0.238 425 D C -1.338 174.952 176.300 -0.017 0.000 1.152 425 D CA 0.368 54.394 54.000 0.043 0.000 0.666 425 D CB -0.834 40.069 40.800 0.172 0.000 1.037 425 D HN 0.216 nan 8.370 nan 0.000 0.423 426 L N 0.797 121.801 121.223 -0.365 0.000 2.408 426 L HA 0.751 5.091 4.340 0.001 0.000 0.268 426 L C -1.511 174.900 176.870 -0.765 0.000 0.986 426 L CA -0.675 53.938 54.840 -0.377 0.000 0.820 426 L CB 1.623 43.605 42.059 -0.128 0.000 1.303 426 L HN -0.020 nan 8.230 nan 0.000 0.411 427 F N 5.839 125.703 119.950 -0.143 0.000 2.745 427 F HA 0.476 5.003 4.527 0.001 0.000 0.343 427 F C -0.237 175.374 175.800 -0.315 0.000 1.196 427 F CA -0.463 57.399 58.000 -0.230 0.000 1.021 427 F CB 1.343 40.139 39.000 -0.340 0.000 1.297 427 F HN 0.216 nan 8.300 nan 0.000 0.486 428 I N 5.385 125.890 120.570 -0.108 0.000 2.256 428 I HA 0.225 4.395 4.170 0.001 0.000 0.294 428 I C 0.025 176.057 176.117 -0.142 0.000 1.127 428 I CA -0.192 61.036 61.300 -0.120 0.000 1.247 428 I CB -0.099 37.853 38.000 -0.081 0.000 1.460 428 I HN 0.455 nan 8.210 nan 0.000 0.511 429 K N 4.294 124.568 120.400 -0.211 0.000 2.208 429 K HA 0.855 5.175 4.320 0.001 0.000 0.240 429 K C -0.660 175.876 176.600 -0.107 0.000 1.088 429 K CA -0.986 55.185 56.287 -0.193 0.000 0.902 429 K CB 1.301 33.567 32.500 -0.391 0.000 1.355 429 K HN 0.375 nan 8.250 nan 0.000 0.526 430 A N 1.086 123.871 122.820 -0.059 0.000 2.343 430 A HA 0.510 4.830 4.320 0.001 0.000 0.316 430 A C -0.447 177.132 177.584 -0.008 0.000 1.104 430 A CA -0.706 51.314 52.037 -0.028 0.000 0.768 430 A CB 0.341 19.335 19.000 -0.010 0.000 1.213 430 A HN 0.471 nan 8.150 nan 0.000 0.456 431 I N 3.355 123.917 120.570 -0.013 0.000 2.576 431 I HA -0.055 4.115 4.170 0.001 0.000 0.288 431 I C 1.453 177.568 176.117 -0.003 0.000 1.126 431 I CA 0.724 62.021 61.300 -0.005 0.000 1.362 431 I CB -0.522 37.468 38.000 -0.017 0.000 1.419 431 I HN 0.860 nan 8.210 nan 0.000 0.533 432 Q N 4.134 123.940 119.800 0.010 0.000 2.096 432 Q HA -0.124 4.216 4.340 0.001 0.000 0.204 432 Q C 0.597 176.585 176.000 -0.021 0.000 0.982 432 Q CA 1.435 57.242 55.803 0.006 0.000 0.850 432 Q CB 0.134 28.886 28.738 0.024 0.000 0.901 432 Q HN 0.477 nan 8.270 nan 0.000 0.422 433 R N -1.024 119.448 120.500 -0.047 0.000 2.629 433 R HA 0.343 4.683 4.340 0.001 0.000 0.266 433 R C -2.143 174.098 176.300 -0.099 0.000 1.051 433 R CA -0.307 55.748 56.100 -0.075 0.000 0.895 433 R CB 1.909 32.149 30.300 -0.100 0.000 1.246 433 R HN -0.140 nan 8.270 nan 0.000 0.459 434 V N 4.485 124.350 119.914 -0.083 0.000 2.384 434 V HA 0.649 4.770 4.120 0.001 0.000 0.287 434 V C -0.388 175.657 176.094 -0.083 0.000 1.020 434 V CA -0.631 61.621 62.300 -0.080 0.000 0.850 434 V CB 1.464 33.254 31.823 -0.055 0.000 0.987 434 V HN 0.606 nan 8.190 nan 0.000 0.436 435 V N 3.358 123.216 119.914 -0.093 0.000 2.914 435 V HA 0.691 4.811 4.120 0.001 0.000 0.314 435 V C -0.529 175.557 176.094 -0.014 0.000 1.084 435 V CA -1.034 61.227 62.300 -0.065 0.000 0.963 435 V CB 1.965 33.720 31.823 -0.112 0.000 1.025 435 V HN 0.629 nan 8.190 nan 0.000 0.432 436 L N 3.872 125.105 121.223 0.016 0.000 2.349 436 L HA 0.443 4.784 4.340 0.001 0.000 0.275 436 L C 0.394 177.320 176.870 0.094 0.000 1.115 436 L CA -0.505 54.361 54.840 0.044 0.000 0.820 436 L CB 1.225 43.309 42.059 0.042 0.000 1.135 436 L HN 0.555 nan 8.230 nan 0.000 0.445 437 M N 4.746 124.423 119.600 0.129 0.000 3.237 437 M HA 0.150 4.630 4.480 0.001 0.000 0.266 437 M C -0.077 176.310 176.300 0.144 0.000 1.456 437 M CA 0.273 55.681 55.300 0.180 0.000 1.593 437 M CB 0.051 32.837 32.600 0.310 0.000 1.129 437 M HN 0.529 nan 8.290 nan 0.000 0.547 438 M N 1.362 121.045 119.600 0.138 0.000 3.376 438 M HA 0.217 4.698 4.480 0.001 0.000 0.218 438 M C 1.308 177.683 176.300 0.124 0.000 1.295 438 M CA 0.100 55.489 55.300 0.148 0.000 1.386 438 M CB -1.536 31.177 32.600 0.189 0.000 1.205 438 M HN 0.858 nan 8.290 nan 0.000 0.496 439 G N 1.986 110.825 108.800 0.064 0.000 2.889 439 G HA2 -0.364 3.596 3.960 0.001 0.000 0.308 439 G HA3 -0.364 3.596 3.960 0.001 0.000 0.308 439 G C 0.991 175.821 174.900 -0.118 0.000 1.248 439 G CA 0.532 45.621 45.100 -0.018 0.000 0.982 439 G HN 0.507 nan 8.290 nan 0.000 0.571 440 R N 0.304 120.621 120.500 -0.305 0.000 2.280 440 R HA 0.402 4.742 4.340 0.001 0.000 0.195 440 R C 0.074 175.962 176.300 -0.687 0.000 0.935 440 R CA 0.315 56.069 56.100 -0.577 0.000 1.033 440 R CB -0.039 29.747 30.300 -0.856 0.000 0.964 440 R HN 0.318 nan 8.270 nan 0.000 0.489 441 F N -0.398 119.575 119.950 0.039 0.000 2.598 441 F HA 0.396 4.923 4.527 0.001 0.000 0.327 441 F C -0.091 175.749 175.800 0.067 0.000 1.057 441 F CA -1.366 56.663 58.000 0.048 0.000 0.957 441 F CB 1.483 40.504 39.000 0.035 0.000 1.278 441 F HN -0.322 nan 8.300 nan 0.000 0.484 442 V N -0.980 119.098 119.914 0.274 0.000 2.680 442 V HA 0.830 4.950 4.120 0.001 0.000 0.309 442 V C -1.256 174.911 176.094 0.122 0.000 1.052 442 V CA -0.739 61.666 62.300 0.175 0.000 0.908 442 V CB 1.745 33.664 31.823 0.161 0.000 1.001 442 V HN 0.756 nan 8.190 nan 0.000 0.431 443 E N 4.493 124.741 120.200 0.080 0.000 2.235 443 E HA 0.606 4.956 4.350 0.001 0.000 0.252 443 E C -2.909 173.700 176.600 0.015 0.000 0.886 443 E CA -2.257 54.171 56.400 0.046 0.000 0.767 443 E CB 2.054 31.784 29.700 0.049 0.000 1.205 443 E HN 0.644 nan 8.360 nan 0.000 0.421 444 P HA 0.056 nan 4.420 nan 0.000 0.265 444 P C -0.873 176.416 177.300 -0.019 0.000 1.187 444 P CA 0.009 63.095 63.100 -0.022 0.000 0.766 444 P CB 0.417 32.104 31.700 -0.021 0.000 0.820 445 I N 1.887 122.440 120.570 -0.028 0.000 2.752 445 I HA 0.252 4.422 4.170 0.001 0.000 0.295 445 I C 0.406 176.505 176.117 -0.030 0.000 1.219 445 I CA -0.416 60.869 61.300 -0.026 0.000 1.030 445 I CB 1.986 39.970 38.000 -0.026 0.000 1.259 445 I HN 0.149 nan 8.210 nan 0.000 0.423 446 D N 3.097 123.482 120.400 -0.026 0.000 2.149 446 D HA 0.018 4.659 4.640 0.001 0.000 0.201 446 D C -0.215 176.069 176.300 -0.027 0.000 0.972 446 D CA 1.430 55.415 54.000 -0.025 0.000 0.835 446 D CB 0.098 40.885 40.800 -0.021 0.000 0.966 446 D HN 0.740 nan 8.370 nan 0.000 0.476 447 D N -1.519 118.863 120.400 -0.029 0.000 2.599 447 D HA 0.266 4.907 4.640 0.001 0.000 0.252 447 D C -1.193 175.086 176.300 -0.036 0.000 1.232 447 D CA -0.843 53.138 54.000 -0.031 0.000 0.819 447 D CB 1.629 42.413 40.800 -0.027 0.000 1.401 447 D HN -0.028 nan 8.370 nan 0.000 0.429 448 C N 1.816 121.092 119.300 -0.039 0.000 2.727 448 C HA 0.539 4.999 4.460 0.001 0.000 0.369 448 C C -2.718 172.242 174.990 -0.049 0.000 1.067 448 C CA -0.969 58.020 59.018 -0.048 0.000 1.273 448 C CB 0.797 28.503 27.740 -0.056 0.000 1.778 448 C HN 0.526 nan 8.230 nan 0.000 0.467 449 P HA 0.258 nan 4.420 nan 0.000 0.271 449 P C -0.189 177.075 177.300 -0.060 0.000 1.244 449 P CA 0.191 63.263 63.100 -0.047 0.000 0.793 449 P CB 0.613 32.286 31.700 -0.046 0.000 0.984 450 A N -0.134 122.654 122.820 -0.053 0.000 2.407 450 A HA 0.486 4.806 4.320 0.001 0.000 0.248 450 A C 1.308 178.835 177.584 -0.095 0.000 1.082 450 A CA 0.543 52.538 52.037 -0.069 0.000 0.785 450 A CB -1.109 17.871 19.000 -0.033 0.000 1.020 450 A HN 0.866 nan 8.150 nan 0.000 0.489 451 G N 1.073 109.778 108.800 -0.159 0.000 2.179 451 G HA2 -0.186 3.774 3.960 0.001 0.000 0.220 451 G HA3 -0.186 3.774 3.960 0.001 0.000 0.220 451 G C -0.037 174.757 174.900 -0.175 0.000 0.990 451 G CA 0.145 45.143 45.100 -0.170 0.000 0.646 451 G HN 0.848 nan 8.290 nan 0.000 0.517 452 N N -0.321 118.272 118.700 -0.178 0.000 2.384 452 N HA 0.631 5.371 4.740 0.001 0.000 0.301 452 N C -0.979 174.416 175.510 -0.193 0.000 1.133 452 N CA -0.729 52.232 53.050 -0.148 0.000 0.853 452 N CB 1.627 40.052 38.487 -0.103 0.000 1.241 452 N HN 0.003 nan 8.380 nan 0.000 0.502 453 I N 1.918 122.392 120.570 -0.160 0.000 2.371 453 I HA 0.315 4.485 4.170 0.001 0.000 0.290 453 I C -0.080 175.923 176.117 -0.190 0.000 1.028 453 I CA -0.048 61.117 61.300 -0.224 0.000 1.345 453 I CB 0.582 38.497 38.000 -0.140 0.000 1.407 453 I HN 0.430 nan 8.210 nan 0.000 0.501 454 I N 4.487 124.895 120.570 -0.269 0.000 3.095 454 I HA 0.807 4.977 4.170 0.001 0.000 0.310 454 I C -0.264 175.758 176.117 -0.159 0.000 1.196 454 I CA -0.310 60.897 61.300 -0.155 0.000 0.985 454 I CB 2.321 40.253 38.000 -0.113 0.000 1.250 454 I HN 0.509 nan 8.210 nan 0.000 0.446 455 G N 4.209 112.985 108.800 -0.041 0.000 2.453 455 G HA2 0.723 4.684 3.960 0.001 0.000 0.323 455 G HA3 0.723 4.684 3.960 0.001 0.000 0.323 455 G C -1.765 173.119 174.900 -0.028 0.000 1.198 455 G CA -0.595 44.519 45.100 0.024 0.000 0.959 455 G HN 0.575 nan 8.290 nan 0.000 0.482 456 L N 0.511 121.734 121.223 -0.001 0.000 2.370 456 L HA 0.608 4.949 4.340 0.001 0.000 0.266 456 L C -0.684 176.146 176.870 -0.066 0.000 1.002 456 L CA -1.205 53.612 54.840 -0.039 0.000 0.818 456 L CB 2.535 44.597 42.059 0.005 0.000 1.325 456 L HN 0.191 nan 8.230 nan 0.000 0.418 457 V N 1.055 120.887 119.914 -0.137 0.000 2.409 457 V HA 0.694 4.814 4.120 0.001 0.000 0.291 457 V C 0.552 176.669 176.094 0.039 0.000 1.020 457 V CA 0.004 62.218 62.300 -0.143 0.000 0.848 457 V CB 1.208 32.802 31.823 -0.383 0.000 0.990 457 V HN 1.031 nan 8.190 nan 0.000 0.430 458 G N 4.536 113.427 108.800 0.152 0.000 2.237 458 G HA2 -0.132 3.828 3.960 0.001 0.000 0.153 458 G HA3 -0.132 3.828 3.960 0.001 0.000 0.153 458 G C -0.259 174.774 174.900 0.220 0.000 1.039 458 G CA 0.045 45.241 45.100 0.159 0.000 0.719 458 G HN 0.661 nan 8.290 nan 0.000 0.491 459 I N 0.437 121.135 120.570 0.214 0.000 4.442 459 I HA 0.199 4.369 4.170 0.001 0.000 0.331 459 I C 1.685 177.893 176.117 0.150 0.000 1.364 459 I CA 0.524 61.986 61.300 0.269 0.000 1.207 459 I CB 0.638 38.747 38.000 0.180 0.000 1.298 459 I HN 0.128 nan 8.210 nan 0.000 0.463 460 D N 1.411 121.875 120.400 0.107 0.000 2.351 460 D HA -0.220 4.420 4.640 0.001 0.000 0.216 460 D C 1.462 177.700 176.300 -0.103 0.000 0.968 460 D CA 0.887 54.921 54.000 0.057 0.000 0.899 460 D CB -0.205 40.714 40.800 0.198 0.000 0.907 460 D HN 0.524 nan 8.370 nan 0.000 0.514 461 Q N -0.890 118.734 119.800 -0.292 0.000 2.219 461 Q HA 0.101 4.441 4.340 0.001 0.000 0.209 461 Q C 0.437 175.901 176.000 -0.893 0.000 0.854 461 Q CA -0.059 55.399 55.803 -0.576 0.000 0.960 461 Q CB -0.258 28.060 28.738 -0.702 0.000 1.116 461 Q HN 0.292 nan 8.270 nan 0.000 0.500 462 F N 0.164 119.947 119.950 -0.280 0.000 2.747 462 F HA 0.388 4.915 4.527 0.001 0.000 0.305 462 F C 0.587 176.225 175.800 -0.270 0.000 1.065 462 F CA -0.161 57.541 58.000 -0.498 0.000 1.230 462 F CB 0.945 39.669 39.000 -0.461 0.000 1.027 462 F HN -0.140 nan 8.300 nan 0.000 0.607 463 L N 1.068 122.295 121.223 0.007 0.000 2.325 463 L HA 0.292 4.633 4.340 0.001 0.000 0.281 463 L C 0.785 177.622 176.870 -0.054 0.000 1.004 463 L CA -0.613 54.232 54.840 0.009 0.000 0.823 463 L CB 2.231 44.310 42.059 0.033 0.000 1.236 463 L HN 0.024 nan 8.230 nan 0.000 0.415 464 L N 4.168 125.362 121.223 -0.048 0.000 1.961 464 L HA -0.148 4.193 4.340 0.001 0.000 0.210 464 L C 1.656 178.437 176.870 -0.147 0.000 1.072 464 L CA 2.219 57.001 54.840 -0.097 0.000 0.749 464 L CB -0.168 41.867 42.059 -0.041 0.000 0.889 464 L HN 0.694 nan 8.230 nan 0.000 0.432 465 K N -3.243 117.098 120.400 -0.098 0.000 2.826 465 K HA 0.236 4.557 4.320 0.001 0.000 0.195 465 K C -0.097 176.465 176.600 -0.064 0.000 1.516 465 K CA 0.420 56.612 56.287 -0.158 0.000 1.213 465 K CB 0.863 33.155 32.500 -0.347 0.000 1.762 465 K HN 0.141 nan 8.250 nan 0.000 0.583 466 T N 0.734 115.308 114.554 0.033 0.000 2.856 466 T HA 0.677 5.028 4.350 0.001 0.000 0.283 466 T C -0.318 174.379 174.700 -0.004 0.000 1.008 466 T CA -0.644 61.482 62.100 0.044 0.000 0.997 466 T CB 1.968 70.963 68.868 0.212 0.000 0.992 466 T HN 0.360 nan 8.240 nan 0.000 0.454 467 G N 0.513 109.244 108.800 -0.115 0.000 2.559 467 G HA2 0.583 4.543 3.960 0.001 0.000 0.291 467 G HA3 0.583 4.543 3.960 0.001 0.000 0.291 467 G C -1.520 173.281 174.900 -0.165 0.000 1.424 467 G CA -0.649 44.403 45.100 -0.081 0.000 0.786 467 G HN 0.626 nan 8.290 nan 0.000 0.485 468 T N 0.914 115.428 114.554 -0.067 0.000 2.890 468 T HA 0.494 4.844 4.350 0.001 0.000 0.295 468 T C -0.836 173.856 174.700 -0.014 0.000 0.993 468 T CA -0.297 61.789 62.100 -0.022 0.000 0.979 468 T CB 1.185 70.087 68.868 0.056 0.000 0.967 468 T HN 0.298 nan 8.240 nan 0.000 0.441 469 L N 4.390 125.619 121.223 0.009 0.000 2.264 469 L HA 0.649 4.990 4.340 0.001 0.000 0.289 469 L C 0.959 177.843 176.870 0.024 0.000 1.044 469 L CA 0.028 54.866 54.840 -0.003 0.000 0.807 469 L CB 1.076 43.135 42.059 -0.001 0.000 1.192 469 L HN 0.839 nan 8.230 nan 0.000 0.425 470 T N -1.973 112.579 114.554 -0.004 0.000 2.838 470 T HA 0.583 4.933 4.350 0.001 0.000 0.292 470 T C 0.392 175.091 174.700 -0.002 0.000 1.113 470 T CA -0.381 61.732 62.100 0.022 0.000 1.008 470 T CB 1.745 70.640 68.868 0.045 0.000 1.259 470 T HN 0.342 nan 8.240 nan 0.000 0.520 471 T N 0.153 114.715 114.554 0.013 0.000 2.964 471 T HA 0.322 4.672 4.350 0.001 0.000 0.250 471 T C 0.917 175.624 174.700 0.011 0.000 0.982 471 T CA 0.102 62.204 62.100 0.003 0.000 0.959 471 T CB 0.235 69.105 68.868 0.004 0.000 1.141 471 T HN 0.705 nan 8.240 nan 0.000 0.494 472 S N 1.923 117.641 115.700 0.029 0.000 2.516 472 S HA 0.085 4.555 4.470 0.001 0.000 0.282 472 S C 1.051 175.676 174.600 0.042 0.000 1.286 472 S CA -0.224 57.999 58.200 0.039 0.000 1.066 472 S CB 0.886 64.121 63.200 0.059 0.000 0.884 472 S HN 0.441 nan 8.310 nan 0.000 0.491 473 E N 2.518 122.739 120.200 0.035 0.000 2.478 473 E HA -0.051 4.299 4.350 0.001 0.000 0.198 473 E C 0.754 177.386 176.600 0.053 0.000 1.046 473 E CA 0.963 57.387 56.400 0.040 0.000 0.870 473 E CB 0.116 29.832 29.700 0.026 0.000 0.818 473 E HN 0.781 nan 8.360 nan 0.000 0.527 474 T N -2.090 112.493 114.554 0.049 0.000 3.355 474 T HA 0.581 4.932 4.350 0.001 0.000 0.276 474 T C -0.080 174.650 174.700 0.050 0.000 1.003 474 T CA -0.386 61.731 62.100 0.028 0.000 0.943 474 T CB 0.934 69.822 68.868 0.033 0.000 1.158 474 T HN 0.115 nan 8.240 nan 0.000 0.513 475 A N 1.164 124.039 122.820 0.093 0.000 2.301 475 A HA 0.695 5.016 4.320 0.001 0.000 0.312 475 A C -0.258 177.401 177.584 0.123 0.000 1.182 475 A CA -0.582 51.568 52.037 0.188 0.000 0.826 475 A CB 0.314 19.429 19.000 0.192 0.000 1.134 475 A HN 0.667 nan 8.150 nan 0.000 0.501 476 H N 0.760 119.913 119.070 0.137 0.000 2.509 476 H HA 0.302 4.858 4.556 0.001 0.000 0.360 476 H C -0.090 175.210 175.328 -0.046 0.000 1.398 476 H CA 0.017 56.033 56.048 -0.053 0.000 1.429 476 H CB 0.470 30.016 29.762 -0.360 0.000 1.611 476 H HN 0.620 nan 8.280 nan 0.000 0.606 477 N N 1.156 119.909 118.700 0.089 0.000 2.426 477 N HA 0.132 4.872 4.740 0.001 0.000 0.257 477 N C -0.664 174.857 175.510 0.017 0.000 1.002 477 N CA -0.230 52.871 53.050 0.085 0.000 0.942 477 N CB 0.620 39.182 38.487 0.126 0.000 1.112 477 N HN 0.409 nan 8.380 nan 0.000 0.499 478 M N 2.213 121.876 119.600 0.106 0.000 2.356 478 M HA 0.022 4.503 4.480 0.001 0.000 0.348 478 M C 0.450 176.857 176.300 0.179 0.000 1.595 478 M CA 0.035 55.406 55.300 0.119 0.000 1.095 478 M CB 0.055 32.793 32.600 0.231 0.000 1.963 478 M HN 0.087 nan 8.290 nan 0.000 0.459 479 K N 2.073 122.495 120.400 0.037 0.000 4.889 479 K HA -0.142 4.179 4.320 0.001 0.000 0.283 479 K C -0.451 176.259 176.600 0.183 0.000 0.677 479 K CA 0.285 56.602 56.287 0.050 0.000 0.756 479 K CB -1.747 30.735 32.500 -0.030 0.000 2.093 479 K HN 0.716 nan 8.250 nan 0.000 0.371 480 V N -0.189 119.820 119.914 0.159 0.000 2.740 480 V HA 0.195 4.315 4.120 0.001 0.000 0.303 480 V C 0.838 177.008 176.094 0.128 0.000 1.054 480 V CA -0.411 61.994 62.300 0.176 0.000 1.106 480 V CB 0.704 32.596 31.823 0.115 0.000 0.957 480 V HN 0.404 nan 8.190 nan 0.000 0.486 481 M N 4.321 124.009 119.600 0.147 0.000 2.055 481 M HA 0.408 4.888 4.480 0.001 0.000 0.347 481 M C 0.030 176.210 176.300 -0.200 0.000 1.123 481 M CA -0.274 55.021 55.300 -0.008 0.000 1.035 481 M CB 0.991 33.647 32.600 0.094 0.000 1.484 481 M HN 0.618 nan 8.290 nan 0.000 0.428 482 K N 3.335 123.592 120.400 -0.237 0.000 2.402 482 K HA 0.149 4.470 4.320 0.001 0.000 0.279 482 K C -1.318 175.039 176.600 -0.405 0.000 1.082 482 K CA 0.670 56.839 56.287 -0.197 0.000 1.080 482 K CB 0.029 32.459 32.500 -0.116 0.000 0.899 482 K HN 0.374 nan 8.250 nan 0.000 0.469 483 F N 0.950 120.931 119.950 0.052 0.000 2.507 483 F HA 0.186 4.713 4.527 0.001 0.000 0.328 483 F C 0.462 176.284 175.800 0.037 0.000 1.136 483 F CA -0.639 57.382 58.000 0.035 0.000 0.930 483 F CB 2.047 41.061 39.000 0.025 0.000 1.166 483 F HN 0.264 nan 8.300 nan 0.000 0.436 484 S N 1.988 117.816 115.700 0.214 0.000 2.501 484 S HA 0.466 4.936 4.470 0.001 0.000 0.301 484 S C -0.070 174.575 174.600 0.075 0.000 1.096 484 S CA -0.445 57.850 58.200 0.160 0.000 1.063 484 S CB 1.690 65.027 63.200 0.227 0.000 1.042 484 S HN 0.539 nan 8.310 nan 0.000 0.494 485 V N 4.587 124.520 119.914 0.032 0.000 3.331 485 V HA 0.313 4.433 4.120 0.001 0.000 0.332 485 V C 0.052 176.097 176.094 -0.082 0.000 1.341 485 V CA 0.145 62.425 62.300 -0.034 0.000 1.218 485 V CB -0.298 31.507 31.823 -0.030 0.000 1.152 485 V HN 0.841 nan 8.190 nan 0.000 0.445 486 S N 3.582 119.197 115.700 -0.142 0.000 2.430 486 S HA 0.283 4.753 4.470 0.001 0.000 0.282 486 S C -2.311 172.126 174.600 -0.272 0.000 1.186 486 S CA -0.580 57.427 58.200 -0.321 0.000 1.060 486 S CB 0.974 63.645 63.200 -0.881 0.000 0.966 486 S HN 0.384 nan 8.310 nan 0.000 0.501 487 P HA 0.110 nan 4.420 nan 0.000 0.244 487 P C 0.564 177.810 177.300 -0.091 0.000 1.723 487 P CA 0.020 63.076 63.100 -0.073 0.000 1.110 487 P CB -0.052 31.648 31.700 -0.001 0.000 1.972 488 V N 0.999 120.814 119.914 -0.166 0.000 2.591 488 V HA -0.057 4.063 4.120 0.001 0.000 0.249 488 V C 1.140 177.194 176.094 -0.066 0.000 1.053 488 V CA 1.163 63.340 62.300 -0.206 0.000 1.068 488 V CB 0.015 31.636 31.823 -0.338 0.000 0.689 488 V HN 0.124 nan 8.190 nan 0.000 0.462 489 V N 1.806 121.726 119.914 0.010 0.000 2.628 489 V HA 0.583 4.703 4.120 0.001 0.000 0.306 489 V C -0.423 175.737 176.094 0.111 0.000 1.045 489 V CA -0.545 61.807 62.300 0.086 0.000 0.905 489 V CB 1.533 33.421 31.823 0.108 0.000 0.997 489 V HN 0.644 nan 8.190 nan 0.000 0.436 490 Q N 3.246 123.125 119.800 0.131 0.000 2.590 490 Q HA 0.906 5.247 4.340 0.001 0.000 0.295 490 Q C -1.629 174.428 176.000 0.096 0.000 0.973 490 Q CA -0.908 54.963 55.803 0.113 0.000 0.768 490 Q CB 2.732 31.547 28.738 0.130 0.000 1.479 490 Q HN 0.694 nan 8.270 nan 0.000 0.419 491 V N -3.743 116.203 119.914 0.053 0.000 3.202 491 V HA 0.980 5.101 4.120 0.001 0.000 0.306 491 V C -1.161 174.928 176.094 -0.010 0.000 1.283 491 V CA -0.657 61.660 62.300 0.029 0.000 1.065 491 V CB 1.377 33.217 31.823 0.027 0.000 1.079 491 V HN 1.098 nan 8.190 nan 0.000 0.448 492 A N 0.827 123.637 122.820 -0.016 0.000 2.304 492 A HA 0.857 5.177 4.320 0.001 0.000 0.323 492 A C -0.623 176.949 177.584 -0.021 0.000 1.195 492 A CA -0.665 51.355 52.037 -0.028 0.000 0.826 492 A CB 1.284 20.265 19.000 -0.032 0.000 1.184 492 A HN 1.349 nan 8.150 nan 0.000 0.496 493 V N 2.897 122.802 119.914 -0.014 0.000 2.417 493 V HA 0.561 4.681 4.120 0.001 0.000 0.291 493 V C -0.248 175.838 176.094 -0.014 0.000 1.024 493 V CA -0.426 61.861 62.300 -0.021 0.000 0.861 493 V CB 1.361 33.161 31.823 -0.038 0.000 0.985 493 V HN 0.923 nan 8.190 nan 0.000 0.436 494 E N 2.714 122.898 120.200 -0.027 0.000 2.308 494 E HA 0.413 4.763 4.350 0.001 0.000 0.275 494 E C -1.021 175.557 176.600 -0.036 0.000 0.890 494 E CA -0.545 55.840 56.400 -0.024 0.000 0.754 494 E CB 2.481 32.177 29.700 -0.006 0.000 1.207 494 E HN 0.539 nan 8.360 nan 0.000 0.426 495 V N 1.802 121.690 119.914 -0.043 0.000 2.614 495 V HA 0.282 4.402 4.120 0.001 0.000 0.291 495 V C 1.382 177.461 176.094 -0.025 0.000 1.049 495 V CA -0.150 62.126 62.300 -0.040 0.000 1.038 495 V CB 1.342 33.137 31.823 -0.046 0.000 0.980 495 V HN 0.769 nan 8.190 nan 0.000 0.481 496 K N 2.781 123.168 120.400 -0.021 0.000 2.167 496 K HA 0.035 4.355 4.320 0.001 0.000 0.203 496 K C 0.493 177.086 176.600 -0.011 0.000 1.052 496 K CA 0.669 56.947 56.287 -0.014 0.000 0.956 496 K CB 0.149 32.642 32.500 -0.011 0.000 0.735 496 K HN 0.818 nan 8.250 nan 0.000 0.451 497 N N 0.612 119.304 118.700 -0.013 0.000 2.437 497 N HA 0.121 4.862 4.740 0.001 0.000 0.259 497 N C 0.027 175.529 175.510 -0.012 0.000 0.983 497 N CA 0.079 53.123 53.050 -0.011 0.000 0.937 497 N CB 1.814 40.295 38.487 -0.009 0.000 1.122 497 N HN 0.141 nan 8.380 nan 0.000 0.499 498 A N 3.106 125.921 122.820 -0.009 0.000 1.933 498 A HA -0.214 4.106 4.320 0.001 0.000 0.218 498 A C 1.810 179.389 177.584 -0.008 0.000 1.175 498 A CA 1.321 53.353 52.037 -0.008 0.000 0.628 498 A CB -0.327 18.671 19.000 -0.003 0.000 0.814 498 A HN 0.765 nan 8.150 nan 0.000 0.444 499 N N 0.359 119.054 118.700 -0.007 0.000 2.309 499 N HA -0.120 4.620 4.740 0.001 0.000 0.182 499 N C -0.204 175.300 175.510 -0.010 0.000 1.018 499 N CA 1.399 54.445 53.050 -0.007 0.000 0.876 499 N CB -0.635 37.850 38.487 -0.005 0.000 0.972 499 N HN 0.326 nan 8.380 nan 0.000 0.434 500 D N 0.492 120.884 120.400 -0.014 0.000 2.413 500 D HA 0.086 4.727 4.640 0.001 0.000 0.237 500 D C 1.493 177.775 176.300 -0.029 0.000 1.171 500 D CA -0.186 53.803 54.000 -0.018 0.000 0.839 500 D CB 0.102 40.891 40.800 -0.018 0.000 0.950 500 D HN 0.275 nan 8.370 nan 0.000 0.499 501 L N 1.066 122.272 121.223 -0.028 0.000 2.005 501 L HA -0.041 4.299 4.340 0.001 0.000 0.207 501 L C -0.780 176.061 176.870 -0.049 0.000 1.072 501 L CA 1.323 56.139 54.840 -0.041 0.000 0.744 501 L CB -0.709 41.336 42.059 -0.023 0.000 0.895 501 L HN -0.021 nan 8.230 nan 0.000 0.433 502 P HA -0.166 nan 4.420 nan 0.000 0.221 502 P C 0.982 178.265 177.300 -0.028 0.000 1.145 502 P CA 1.410 64.497 63.100 -0.022 0.000 0.795 502 P CB -0.012 31.683 31.700 -0.009 0.000 0.775 503 K N -1.057 119.325 120.400 -0.030 0.000 2.155 503 K HA -0.078 4.242 4.320 0.001 0.000 0.203 503 K C 1.876 178.452 176.600 -0.040 0.000 1.052 503 K CA 0.770 57.042 56.287 -0.026 0.000 0.948 503 K CB -0.645 31.843 32.500 -0.020 0.000 0.728 503 K HN 0.096 nan 8.250 nan 0.000 0.448 504 L N 0.927 122.105 121.223 -0.074 0.000 2.072 504 L HA -0.106 4.234 4.340 0.001 0.000 0.205 504 L C 1.934 178.722 176.870 -0.137 0.000 1.079 504 L CA 1.402 56.173 54.840 -0.115 0.000 0.752 504 L CB -0.250 41.704 42.059 -0.175 0.000 0.906 504 L HN -0.138 nan 8.230 nan 0.000 0.436 505 V N -0.181 119.647 119.914 -0.144 0.000 2.469 505 V HA -0.259 3.861 4.120 0.001 0.000 0.251 505 V C 2.594 178.674 176.094 -0.023 0.000 1.064 505 V CA 1.824 64.071 62.300 -0.089 0.000 1.066 505 V CB -0.724 31.085 31.823 -0.024 0.000 0.667 505 V HN 0.521 nan 8.190 nan 0.000 0.461 506 E N 0.845 121.034 120.200 -0.019 0.000 2.122 506 E HA -0.013 4.338 4.350 0.001 0.000 0.190 506 E C 2.245 178.856 176.600 0.017 0.000 0.977 506 E CA 1.196 57.598 56.400 0.005 0.000 0.820 506 E CB -0.593 29.110 29.700 0.006 0.000 0.770 506 E HN 0.440 nan 8.360 nan 0.000 0.462 507 G N 0.777 109.584 108.800 0.012 0.000 2.422 507 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 507 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 507 G C 1.540 176.422 174.900 -0.029 0.000 1.146 507 G CA 0.866 45.995 45.100 0.049 0.000 0.769 507 G HN 0.270 nan 8.290 nan 0.000 0.547 508 L N -0.056 121.136 121.223 -0.052 0.000 2.017 508 L HA -0.052 4.289 4.340 0.001 0.000 0.208 508 L C 2.945 179.788 176.870 -0.043 0.000 1.073 508 L CA 1.386 56.188 54.840 -0.063 0.000 0.745 508 L CB -0.343 41.707 42.059 -0.015 0.000 0.894 508 L HN 0.169 nan 8.230 nan 0.000 0.432 509 K N -0.262 120.136 120.400 -0.003 0.000 2.209 509 K HA -0.185 4.135 4.320 0.001 0.000 0.204 509 K C 2.211 178.818 176.600 0.011 0.000 1.048 509 K CA 0.972 57.267 56.287 0.013 0.000 0.940 509 K CB -0.147 32.368 32.500 0.024 0.000 0.729 509 K HN 0.191 nan 8.250 nan 0.000 0.451 510 R N 0.807 121.321 120.500 0.024 0.000 2.193 510 R HA -0.039 4.301 4.340 0.001 0.000 0.213 510 R C 2.035 178.370 176.300 0.058 0.000 1.055 510 R CA 0.450 56.608 56.100 0.097 0.000 0.995 510 R CB 0.072 30.499 30.300 0.212 0.000 0.893 510 R HN 0.083 nan 8.270 nan 0.000 0.459 511 L N -0.025 121.064 121.223 -0.223 0.000 2.209 511 L HA 0.100 4.440 4.340 0.001 0.000 0.207 511 L C 1.638 178.435 176.870 -0.123 0.000 1.094 511 L CA 1.595 56.154 54.840 -0.467 0.000 0.790 511 L CB -0.034 41.663 42.059 -0.604 0.000 0.932 511 L HN -0.034 nan 8.230 nan 0.000 0.447 512 S N -0.474 115.200 115.700 -0.044 0.000 2.481 512 S HA -0.069 4.402 4.470 0.001 0.000 0.231 512 S C 1.698 176.360 174.600 0.103 0.000 0.996 512 S CA 0.821 59.039 58.200 0.030 0.000 0.942 512 S CB -0.185 63.036 63.200 0.034 0.000 0.768 512 S HN 0.470 nan 8.310 nan 0.000 0.520 513 K N 1.186 121.641 120.400 0.091 0.000 2.356 513 K HA 0.101 4.422 4.320 0.001 0.000 0.195 513 K C 1.787 178.481 176.600 0.157 0.000 1.037 513 K CA 0.845 57.199 56.287 0.111 0.000 1.014 513 K CB 0.121 32.617 32.500 -0.006 0.000 0.815 513 K HN 0.394 nan 8.250 nan 0.000 0.507 514 S N 0.046 115.843 115.700 0.161 0.000 2.556 514 S HA 0.039 4.510 4.470 0.001 0.000 0.216 514 S C -0.053 174.674 174.600 0.212 0.000 0.970 514 S CA -0.190 58.117 58.200 0.177 0.000 0.912 514 S CB 0.243 63.559 63.200 0.194 0.000 0.790 514 S HN 0.049 nan 8.310 nan 0.000 0.504 515 D N 0.666 121.187 120.400 0.202 0.000 2.688 515 D HA 0.343 4.983 4.640 0.001 0.000 0.210 515 D C -2.823 173.492 176.300 0.026 0.000 1.333 515 D CA -1.514 52.544 54.000 0.098 0.000 0.920 515 D CB 2.029 42.874 40.800 0.075 0.000 1.554 515 D HN -0.194 nan 8.370 nan 0.000 0.579 516 P HA 0.091 nan 4.420 nan 0.000 0.233 516 P C 0.995 178.232 177.300 -0.106 0.000 1.167 516 P CA 0.428 63.388 63.100 -0.234 0.000 0.770 516 P CB 0.361 31.762 31.700 -0.498 0.000 0.837 517 C N -2.160 117.119 119.300 -0.035 0.000 2.558 517 C HA 0.195 4.655 4.460 0.001 0.000 0.288 517 C C 1.381 176.413 174.990 0.069 0.000 1.338 517 C CA -0.176 58.832 59.018 -0.016 0.000 1.760 517 C CB -0.350 27.342 27.740 -0.080 0.000 2.159 517 C HN 0.070 nan 8.230 nan 0.000 0.518 518 V N 2.541 122.551 119.914 0.160 0.000 2.715 518 V HA 0.407 4.527 4.120 0.001 0.000 0.299 518 V C -0.651 175.496 176.094 0.088 0.000 1.054 518 V CA 0.158 62.555 62.300 0.161 0.000 1.077 518 V CB 1.225 33.110 31.823 0.104 0.000 0.972 518 V HN 0.346 nan 8.190 nan 0.000 0.484 519 L N 6.431 127.716 121.223 0.103 0.000 2.376 519 L HA 0.705 5.046 4.340 0.001 0.000 0.275 519 L C -0.110 176.852 176.870 0.154 0.000 0.987 519 L CA 0.101 55.018 54.840 0.128 0.000 0.828 519 L CB 2.040 44.189 42.059 0.150 0.000 1.249 519 L HN 0.857 nan 8.230 nan 0.000 0.409 520 T N 2.137 116.770 114.554 0.131 0.000 2.809 520 T HA 0.685 5.036 4.350 0.001 0.000 0.296 520 T C -0.596 174.194 174.700 0.149 0.000 1.015 520 T CA -0.434 61.714 62.100 0.080 0.000 0.954 520 T CB 0.558 69.447 68.868 0.035 0.000 0.950 520 T HN 0.565 nan 8.240 nan 0.000 0.450 521 Y N 1.063 121.381 120.300 0.028 0.000 2.669 521 Y HA 0.850 5.400 4.550 0.001 0.000 0.335 521 Y C -0.998 174.882 175.900 -0.033 0.000 1.116 521 Y CA -1.999 56.101 58.100 0.000 0.000 1.081 521 Y CB 1.603 40.052 38.460 -0.019 0.000 1.297 521 Y HN 0.496 nan 8.280 nan 0.000 0.484 522 M N 2.366 122.023 119.600 0.095 0.000 2.456 522 M HA 0.526 5.006 4.480 0.001 0.000 0.324 522 M C -0.404 176.005 176.300 0.182 0.000 1.124 522 M CA -0.838 54.422 55.300 -0.067 0.000 0.959 522 M CB 2.383 34.864 32.600 -0.197 0.000 1.692 522 M HN 0.916 nan 8.290 nan 0.000 0.444 523 S N 0.475 116.244 115.700 0.115 0.000 2.694 523 S HA 0.346 4.816 4.470 0.001 0.000 0.278 523 S C 0.609 175.308 174.600 0.164 0.000 1.152 523 S CA -0.772 57.559 58.200 0.218 0.000 1.010 523 S CB 0.913 64.222 63.200 0.182 0.000 1.104 523 S HN 0.762 nan 8.310 nan 0.000 0.547 524 E N 0.596 120.886 120.200 0.149 0.000 2.274 524 E HA -0.078 4.273 4.350 0.001 0.000 0.194 524 E C 1.747 178.344 176.600 -0.005 0.000 0.996 524 E CA 1.064 57.467 56.400 0.004 0.000 0.840 524 E CB -0.167 29.482 29.700 -0.086 0.000 0.772 524 E HN 0.761 nan 8.360 nan 0.000 0.491 525 S N -0.901 114.821 115.700 0.037 0.000 2.607 525 S HA 0.106 4.577 4.470 0.001 0.000 0.224 525 S C 1.635 176.245 174.600 0.016 0.000 0.969 525 S CA 0.399 58.618 58.200 0.032 0.000 0.927 525 S CB 0.359 63.600 63.200 0.068 0.000 0.772 525 S HN 0.360 nan 8.310 nan 0.000 0.533 526 G N 0.876 109.676 108.800 0.001 0.000 2.205 526 G HA2 -0.274 3.687 3.960 0.001 0.000 0.261 526 G HA3 -0.274 3.687 3.960 0.001 0.000 0.261 526 G C -0.216 174.645 174.900 -0.065 0.000 0.980 526 G CA 0.135 45.217 45.100 -0.030 0.000 0.632 526 G HN 0.627 nan 8.290 nan 0.000 0.533 527 E N 1.238 121.421 120.200 -0.027 0.000 2.384 527 E HA 0.278 4.629 4.350 0.001 0.000 0.266 527 E C 0.115 176.647 176.600 -0.112 0.000 1.012 527 E CA -0.243 56.148 56.400 -0.014 0.000 0.901 527 E CB 0.399 30.107 29.700 0.013 0.000 0.967 527 E HN 0.512 nan 8.360 nan 0.000 0.435 528 H N 2.769 121.801 119.070 -0.063 0.000 2.580 528 H HA 0.227 4.783 4.556 0.001 0.000 0.322 528 H C -0.066 175.149 175.328 -0.188 0.000 1.082 528 H CA -0.221 55.759 56.048 -0.114 0.000 1.383 528 H CB 0.772 30.489 29.762 -0.076 0.000 1.450 528 H HN 0.250 nan 8.280 nan 0.000 0.505 529 I N 3.077 123.485 120.570 -0.270 0.000 2.646 529 I HA 0.240 4.410 4.170 0.001 0.000 0.299 529 I C -0.006 175.940 176.117 -0.284 0.000 1.036 529 I CA -0.906 60.164 61.300 -0.383 0.000 1.074 529 I CB 2.057 39.560 38.000 -0.829 0.000 1.258 529 I HN 0.224 nan 8.210 nan 0.000 0.430 530 V N 3.797 123.630 119.914 -0.135 0.000 2.447 530 V HA 0.721 4.842 4.120 0.001 0.000 0.292 530 V C 0.077 176.188 176.094 0.030 0.000 1.021 530 V CA -0.522 61.755 62.300 -0.039 0.000 0.850 530 V CB 1.575 33.381 31.823 -0.028 0.000 1.005 530 V HN 0.933 nan 8.190 nan 0.000 0.426 531 A N 3.542 126.416 122.820 0.090 0.000 2.330 531 A HA 1.048 5.369 4.320 0.001 0.000 0.329 531 A C 0.249 177.917 177.584 0.139 0.000 1.135 531 A CA 0.052 52.164 52.037 0.124 0.000 0.817 531 A CB 1.907 21.008 19.000 0.169 0.000 1.269 531 A HN 1.129 nan 8.150 nan 0.000 0.469 532 G N -1.326 107.560 108.800 0.144 0.000 2.975 532 G HA2 0.483 4.443 3.960 0.001 0.000 0.291 532 G HA3 0.483 4.443 3.960 0.001 0.000 0.291 532 G C 0.189 175.107 174.900 0.030 0.000 1.334 532 G CA 0.505 45.736 45.100 0.218 0.000 0.843 532 G HN 0.581 nan 8.290 nan 0.000 0.548 533 T N -0.659 113.813 114.554 -0.136 0.000 3.051 533 T HA 0.431 4.781 4.350 0.001 0.000 0.255 533 T C 0.885 175.611 174.700 0.044 0.000 1.085 533 T CA 1.047 63.069 62.100 -0.129 0.000 1.109 533 T CB 0.184 68.884 68.868 -0.279 0.000 0.921 533 T HN 1.099 nan 8.240 nan 0.000 0.488 534 G N -0.092 108.743 108.800 0.059 0.000 2.619 534 G HA2 0.415 4.376 3.960 0.001 0.000 0.305 534 G HA3 0.415 4.376 3.960 0.001 0.000 0.305 534 G C 0.083 174.994 174.900 0.019 0.000 1.330 534 G CA -0.340 44.780 45.100 0.033 0.000 0.789 534 G HN -0.012 nan 8.290 nan 0.000 0.487 535 E N -0.958 119.193 120.200 -0.082 0.000 2.031 535 E HA -0.154 4.196 4.350 0.001 0.000 0.193 535 E C 2.375 178.983 176.600 0.013 0.000 0.994 535 E CA 1.547 57.937 56.400 -0.018 0.000 0.800 535 E CB -0.063 29.594 29.700 -0.071 0.000 0.752 535 E HN 0.298 nan 8.360 nan 0.000 0.447 536 L N 1.157 122.349 121.223 -0.053 0.000 1.988 536 L HA -0.209 4.132 4.340 0.001 0.000 0.207 536 L C 2.582 179.433 176.870 -0.033 0.000 1.071 536 L CA 2.252 57.030 54.840 -0.104 0.000 0.744 536 L CB -0.886 41.028 42.059 -0.241 0.000 0.893 536 L HN 0.321 nan 8.230 nan 0.000 0.433 537 H N -0.628 118.406 119.070 -0.060 0.000 2.357 537 H HA -0.243 4.313 4.556 0.001 0.000 0.296 537 H C 2.162 177.512 175.328 0.036 0.000 1.108 537 H CA 2.584 58.646 56.048 0.022 0.000 1.273 537 H CB -0.074 29.709 29.762 0.035 0.000 1.367 537 H HN 0.398 nan 8.280 nan 0.000 0.498 538 L N 1.408 122.700 121.223 0.114 0.000 2.056 538 L HA -0.099 4.242 4.340 0.001 0.000 0.207 538 L C 2.578 179.452 176.870 0.008 0.000 1.078 538 L CA 2.176 57.057 54.840 0.068 0.000 0.749 538 L CB -0.786 41.343 42.059 0.115 0.000 0.901 538 L HN 0.211 nan 8.230 nan 0.000 0.433 539 E N -0.009 120.198 120.200 0.011 0.000 2.070 539 E HA -0.253 4.097 4.350 0.001 0.000 0.197 539 E C 1.999 178.595 176.600 -0.006 0.000 1.004 539 E CA 2.103 58.504 56.400 0.002 0.000 0.805 539 E CB -0.407 29.285 29.700 -0.013 0.000 0.744 539 E HN 0.494 nan 8.360 nan 0.000 0.451 540 I N 0.180 120.740 120.570 -0.017 0.000 2.142 540 I HA -0.314 3.856 4.170 0.001 0.000 0.240 540 I C 2.505 178.620 176.117 -0.005 0.000 1.078 540 I CA 1.110 62.420 61.300 0.017 0.000 1.343 540 I CB -0.728 37.313 38.000 0.067 0.000 1.046 540 I HN 0.273 nan 8.210 nan 0.000 0.405 541 C N 0.118 119.373 119.300 -0.074 0.000 2.410 541 C HA -0.138 4.323 4.460 0.001 0.000 0.281 541 C C 2.765 177.731 174.990 -0.040 0.000 1.318 541 C CA 0.556 59.530 59.018 -0.074 0.000 1.776 541 C CB -1.330 26.333 27.740 -0.128 0.000 1.942 541 C HN 0.463 nan 8.230 nan 0.000 0.508 542 L N 0.077 121.281 121.223 -0.031 0.000 2.072 542 L HA -0.179 4.161 4.340 0.001 0.000 0.205 542 L C 2.797 179.632 176.870 -0.058 0.000 1.079 542 L CA 1.474 56.291 54.840 -0.038 0.000 0.752 542 L CB -0.798 41.247 42.059 -0.023 0.000 0.906 542 L HN 0.426 nan 8.230 nan 0.000 0.436 543 Q N 0.161 119.953 119.800 -0.014 0.000 2.020 543 Q HA -0.226 4.114 4.340 0.001 0.000 0.202 543 Q C 1.825 177.833 176.000 0.013 0.000 0.982 543 Q CA 1.855 57.660 55.803 0.004 0.000 0.838 543 Q CB -0.228 28.616 28.738 0.177 0.000 0.899 543 Q HN 0.436 nan 8.270 nan 0.000 0.423 544 D N 0.572 121.042 120.400 0.117 0.000 2.221 544 D HA -0.153 4.487 4.640 0.001 0.000 0.204 544 D C 1.669 178.118 176.300 0.249 0.000 0.982 544 D CA 0.693 54.804 54.000 0.185 0.000 0.857 544 D CB -0.118 40.814 40.800 0.219 0.000 0.934 544 D HN 0.085 nan 8.370 nan 0.000 0.475 545 L N 0.604 121.916 121.223 0.147 0.000 2.072 545 L HA -0.027 4.313 4.340 0.001 0.000 0.205 545 L C 1.907 178.772 176.870 -0.009 0.000 1.079 545 L CA 1.641 56.547 54.840 0.110 0.000 0.752 545 L CB -0.287 41.751 42.059 -0.034 0.000 0.906 545 L HN -0.062 nan 8.230 nan 0.000 0.436 546 E N -1.917 118.177 120.200 -0.178 0.000 2.285 546 E HA -0.175 4.176 4.350 0.001 0.000 0.194 546 E C 1.550 177.998 176.600 -0.254 0.000 0.997 546 E CA 0.909 57.148 56.400 -0.270 0.000 0.845 546 E CB 0.041 29.499 29.700 -0.404 0.000 0.782 546 E HN 0.745 nan 8.360 nan 0.000 0.491 547 H N -1.090 117.994 119.070 0.023 0.000 2.506 547 H HA 0.111 4.668 4.556 0.001 0.000 0.289 547 H C 0.967 176.283 175.328 -0.021 0.000 1.009 547 H CA 0.556 56.605 56.048 0.001 0.000 1.303 547 H CB 0.523 30.284 29.762 -0.001 0.000 1.453 547 H HN 0.046 nan 8.280 nan 0.000 0.526 548 D N -0.664 119.773 120.400 0.062 0.000 3.094 548 D HA -0.005 4.635 4.640 0.001 0.000 0.267 548 D C 1.949 178.196 176.300 -0.088 0.000 1.542 548 D CA 0.282 54.243 54.000 -0.066 0.000 1.157 548 D CB -0.520 40.158 40.800 -0.203 0.000 1.098 548 D HN 0.286 nan 8.370 nan 0.000 0.340 549 H N 1.038 120.103 119.070 -0.009 0.000 2.325 549 H HA -0.113 4.444 4.556 0.001 0.000 0.293 549 H C 1.623 176.935 175.328 -0.026 0.000 1.106 549 H CA 1.984 58.020 56.048 -0.019 0.000 1.247 549 H CB 0.111 29.858 29.762 -0.024 0.000 1.359 549 H HN 0.165 nan 8.280 nan 0.000 0.488 550 A N -0.498 122.377 122.820 0.092 0.000 1.984 550 A HA 0.366 4.687 4.320 0.001 0.000 0.203 550 A C 1.941 179.530 177.584 0.007 0.000 1.292 550 A CA 0.954 53.007 52.037 0.026 0.000 0.782 550 A CB -0.105 18.893 19.000 -0.004 0.000 0.924 550 A HN 0.470 nan 8.150 nan 0.000 0.475 551 G N -0.641 108.163 108.800 0.008 0.000 2.273 551 G HA2 -0.085 3.875 3.960 0.001 0.000 0.280 551 G HA3 -0.085 3.875 3.960 0.001 0.000 0.280 551 G C -0.149 174.753 174.900 0.004 0.000 1.047 551 G CA 0.420 45.528 45.100 0.014 0.000 0.869 551 G HN 1.111 nan 8.290 nan 0.000 0.502 552 V N -0.059 119.847 119.914 -0.014 0.000 2.760 552 V HA 0.490 4.611 4.120 0.001 0.000 0.309 552 V C -2.137 173.941 176.094 -0.027 0.000 1.077 552 V CA -1.899 60.391 62.300 -0.017 0.000 0.910 552 V CB 2.519 34.328 31.823 -0.025 0.000 1.008 552 V HN 0.081 nan 8.190 nan 0.000 0.424 553 P HA 0.125 nan 4.420 nan 0.000 0.256 553 P C -0.816 176.467 177.300 -0.029 0.000 1.189 553 P CA 0.616 63.706 63.100 -0.016 0.000 0.808 553 P CB 0.067 31.764 31.700 -0.005 0.000 0.793 554 L N 3.548 124.745 121.223 -0.042 0.000 2.331 554 L HA 0.495 4.836 4.340 0.001 0.000 0.275 554 L C 0.731 177.580 176.870 -0.034 0.000 1.022 554 L CA -0.780 54.033 54.840 -0.045 0.000 0.812 554 L CB 1.898 43.919 42.059 -0.063 0.000 1.257 554 L HN 0.178 nan 8.230 nan 0.000 0.435 555 K N 3.354 123.737 120.400 -0.029 0.000 2.449 555 K HA 0.454 4.774 4.320 0.001 0.000 0.257 555 K C -0.498 176.089 176.600 -0.022 0.000 0.989 555 K CA -0.561 55.713 56.287 -0.021 0.000 0.916 555 K CB 0.827 33.318 32.500 -0.016 0.000 1.136 555 K HN 0.403 nan 8.250 nan 0.000 0.439 556 I N 0.848 121.406 120.570 -0.021 0.000 4.575 556 I HA 0.385 4.555 4.170 0.001 0.000 0.212 556 I C 0.635 176.743 176.117 -0.016 0.000 1.552 556 I CA -0.586 60.703 61.300 -0.019 0.000 1.147 556 I CB 0.153 38.144 38.000 -0.017 0.000 1.680 556 I HN 0.730 nan 8.210 nan 0.000 0.682 557 S N -0.886 114.808 115.700 -0.011 0.000 2.587 557 S HA 0.575 5.045 4.470 0.001 0.000 0.269 557 S C -3.075 171.522 174.600 -0.005 0.000 1.154 557 S CA -1.056 57.136 58.200 -0.013 0.000 0.824 557 S CB 0.830 64.017 63.200 -0.022 0.000 1.118 557 S HN 0.262 nan 8.310 nan 0.000 0.462 558 P HA 0.213 nan 4.420 nan 0.000 0.269 558 P C -2.570 174.731 177.300 0.001 0.000 1.205 558 P CA -0.575 62.511 63.100 -0.024 0.000 0.780 558 P CB -0.477 31.196 31.700 -0.045 0.000 0.858 559 P HA 0.037 nan 4.420 nan 0.000 0.269 559 P C -0.637 176.739 177.300 0.127 0.000 1.252 559 P CA 0.369 63.532 63.100 0.106 0.000 0.780 559 P CB 0.259 32.093 31.700 0.223 0.000 0.829 560 V N 5.439 125.447 119.914 0.157 0.000 2.481 560 V HA 0.150 4.270 4.120 0.001 0.000 0.286 560 V C 0.639 176.872 176.094 0.231 0.000 1.042 560 V CA -0.667 61.747 62.300 0.190 0.000 0.928 560 V CB 2.024 33.954 31.823 0.178 0.000 0.986 560 V HN 0.263 nan 8.190 nan 0.000 0.462 561 V N 4.354 124.422 119.914 0.257 0.000 2.546 561 V HA 0.561 4.681 4.120 0.001 0.000 0.284 561 V C 0.606 176.771 176.094 0.118 0.000 1.050 561 V CA -0.438 61.944 62.300 0.135 0.000 0.981 561 V CB 1.523 33.367 31.823 0.034 0.000 0.990 561 V HN 0.989 nan 8.190 nan 0.000 0.474 562 A N 4.963 127.796 122.820 0.021 0.000 2.320 562 A HA 0.708 5.028 4.320 0.001 0.000 0.287 562 A C -0.924 176.707 177.584 0.079 0.000 1.181 562 A CA -0.197 51.909 52.037 0.115 0.000 0.831 562 A CB 0.082 19.151 19.000 0.116 0.000 1.102 562 A HN 0.733 nan 8.150 nan 0.000 0.513 563 Y N 1.080 121.525 120.300 0.242 0.000 2.654 563 Y HA 0.690 5.241 4.550 0.001 0.000 0.327 563 Y C 0.759 176.631 175.900 -0.048 0.000 1.122 563 Y CA -0.792 57.473 58.100 0.275 0.000 1.227 563 Y CB 1.210 39.906 38.460 0.393 0.000 1.370 563 Y HN 0.532 nan 8.280 nan 0.000 0.528 564 R N 0.704 121.212 120.500 0.014 0.000 2.803 564 R HA 0.406 4.746 4.340 0.001 0.000 0.276 564 R C -1.337 174.923 176.300 -0.068 0.000 0.978 564 R CA -0.970 54.955 56.100 -0.292 0.000 0.939 564 R CB 1.749 31.602 30.300 -0.745 0.000 1.179 564 R HN 0.750 nan 8.270 nan 0.000 0.472 565 E N 0.546 120.685 120.200 -0.102 0.000 2.171 565 E HA 0.404 4.755 4.350 0.001 0.000 0.271 565 E C -0.508 176.212 176.600 0.201 0.000 0.916 565 E CA -0.460 55.988 56.400 0.079 0.000 0.774 565 E CB 2.469 32.130 29.700 -0.065 0.000 1.128 565 E HN 0.360 nan 8.360 nan 0.000 0.403 566 T N 0.701 115.411 114.554 0.259 0.000 2.778 566 T HA 0.581 4.931 4.350 0.001 0.000 0.293 566 T C -1.461 173.158 174.700 -0.135 0.000 1.144 566 T CA -0.650 61.520 62.100 0.117 0.000 1.010 566 T CB 1.632 70.519 68.868 0.032 0.000 1.325 566 T HN 0.308 nan 8.240 nan 0.000 0.515 567 V N 0.084 119.870 119.914 -0.213 0.000 2.914 567 V HA 0.730 4.851 4.120 0.001 0.000 0.314 567 V C -0.012 175.992 176.094 -0.151 0.000 1.084 567 V CA -0.531 61.577 62.300 -0.321 0.000 0.963 567 V CB 2.002 33.569 31.823 -0.427 0.000 1.025 567 V HN 0.984 nan 8.190 nan 0.000 0.432 568 E N 1.599 121.719 120.200 -0.133 0.000 2.538 568 E HA 0.309 4.660 4.350 0.001 0.000 0.207 568 E C 0.244 176.800 176.600 -0.073 0.000 1.002 568 E CA 0.561 56.916 56.400 -0.076 0.000 0.952 568 E CB 1.013 30.682 29.700 -0.051 0.000 1.031 568 E HN 0.997 nan 8.360 nan 0.000 0.476 569 S N -0.695 114.946 115.700 -0.097 0.000 2.703 569 S HA 0.262 4.732 4.470 0.001 0.000 0.273 569 S C -0.877 173.664 174.600 -0.099 0.000 1.178 569 S CA -1.047 57.101 58.200 -0.086 0.000 0.838 569 S CB 1.968 65.121 63.200 -0.077 0.000 1.178 569 S HN 0.047 nan 8.310 nan 0.000 0.494 570 E N 0.684 120.831 120.200 -0.089 0.000 2.313 570 E HA 0.453 4.804 4.350 0.001 0.000 0.272 570 E C -0.611 175.930 176.600 -0.099 0.000 1.038 570 E CA -0.483 55.863 56.400 -0.090 0.000 0.863 570 E CB 0.955 30.605 29.700 -0.082 0.000 1.060 570 E HN 0.591 nan 8.360 nan 0.000 0.402 571 S N 1.978 117.620 115.700 -0.097 0.000 2.626 571 S HA -0.097 4.373 4.470 0.001 0.000 0.303 571 S C 1.377 175.901 174.600 -0.126 0.000 1.256 571 S CA 0.342 58.473 58.200 -0.114 0.000 1.069 571 S CB 0.602 63.751 63.200 -0.086 0.000 0.807 571 S HN 0.658 nan 8.310 nan 0.000 0.500 572 S N 2.505 118.107 115.700 -0.163 0.000 2.419 572 S HA -0.165 4.305 4.470 0.001 0.000 0.235 572 S C 0.577 175.083 174.600 -0.155 0.000 1.019 572 S CA 0.888 58.994 58.200 -0.156 0.000 0.982 572 S CB -0.441 62.651 63.200 -0.181 0.000 0.789 572 S HN 0.888 nan 8.310 nan 0.000 0.490 573 Q N -1.237 118.448 119.800 -0.191 0.000 2.590 573 Q HA 0.494 4.834 4.340 0.001 0.000 0.295 573 Q C -1.562 174.394 176.000 -0.073 0.000 0.973 573 Q CA -1.085 54.638 55.803 -0.133 0.000 0.768 573 Q CB 0.666 29.304 28.738 -0.168 0.000 1.479 573 Q HN -0.040 nan 8.270 nan 0.000 0.419 574 T N 1.384 115.947 114.554 0.015 0.000 2.888 574 T HA 0.429 4.780 4.350 0.001 0.000 0.301 574 T C -0.177 174.626 174.700 0.171 0.000 1.001 574 T CA 0.224 62.375 62.100 0.084 0.000 1.147 574 T CB 0.496 69.439 68.868 0.124 0.000 0.931 574 T HN 0.570 nan 8.240 nan 0.000 0.541 575 A N 3.575 126.468 122.820 0.123 0.000 2.331 575 A HA 0.678 4.998 4.320 0.001 0.000 0.283 575 A C -0.429 177.102 177.584 -0.089 0.000 1.142 575 A CA -0.635 51.478 52.037 0.126 0.000 0.812 575 A CB 0.246 19.320 19.000 0.123 0.000 1.074 575 A HN 0.733 nan 8.150 nan 0.000 0.497 576 L N 2.064 122.995 121.223 -0.487 0.000 2.401 576 L HA 0.848 5.188 4.340 0.001 0.000 0.266 576 L C -0.422 176.062 176.870 -0.643 0.000 0.991 576 L CA 0.079 54.523 54.840 -0.660 0.000 0.818 576 L CB 2.253 43.901 42.059 -0.684 0.000 1.321 576 L HN 0.645 nan 8.230 nan 0.000 0.413 577 S N 3.048 118.484 115.700 -0.441 0.000 2.536 577 S HA 0.637 5.108 4.470 0.001 0.000 0.271 577 S C -1.265 173.203 174.600 -0.220 0.000 1.134 577 S CA -0.759 57.282 58.200 -0.265 0.000 0.897 577 S CB 1.261 64.378 63.200 -0.138 0.000 1.094 577 S HN 0.737 nan 8.310 nan 0.000 0.473 578 K N 1.601 121.913 120.400 -0.147 0.000 2.166 578 K HA 0.556 4.876 4.320 0.001 0.000 0.245 578 K C 0.032 176.589 176.600 -0.072 0.000 0.967 578 K CA -0.696 55.527 56.287 -0.106 0.000 0.863 578 K CB 1.521 33.969 32.500 -0.087 0.000 1.107 578 K HN 0.778 nan 8.250 nan 0.000 0.436 579 S N 1.119 116.786 115.700 -0.054 0.000 2.614 579 S HA 0.136 4.607 4.470 0.001 0.000 0.265 579 S C -1.976 172.589 174.600 -0.058 0.000 1.303 579 S CA -1.109 57.066 58.200 -0.042 0.000 1.000 579 S CB 0.817 64.007 63.200 -0.017 0.000 0.935 579 S HN 0.348 nan 8.310 nan 0.000 0.551 580 P HA -0.174 nan 4.420 nan 0.000 0.215 580 P C 1.088 178.337 177.300 -0.085 0.000 1.157 580 P CA 1.653 64.717 63.100 -0.059 0.000 0.874 580 P CB -0.291 31.381 31.700 -0.047 0.000 0.790 581 N N -0.452 118.192 118.700 -0.093 0.000 2.512 581 N HA -0.125 4.615 4.740 0.001 0.000 0.183 581 N C 0.273 175.558 175.510 -0.374 0.000 1.073 581 N CA 0.686 53.637 53.050 -0.165 0.000 0.911 581 N CB -0.930 37.523 38.487 -0.057 0.000 0.964 581 N HN 0.099 nan 8.380 nan 0.000 0.447 582 K N -1.641 118.616 120.400 -0.237 0.000 3.230 582 K HA -0.232 4.089 4.320 0.001 0.000 0.285 582 K C -0.514 175.944 176.600 -0.237 0.000 1.196 582 K CA 1.143 57.296 56.287 -0.222 0.000 0.838 582 K CB -2.397 29.976 32.500 -0.212 0.000 1.262 582 K HN 0.625 nan 8.250 nan 0.000 0.492 583 H N -0.556 118.540 119.070 0.044 0.000 2.705 583 H HA 0.184 4.740 4.556 0.001 0.000 0.269 583 H C 0.350 175.738 175.328 0.100 0.000 0.998 583 H CA -0.399 55.713 56.048 0.106 0.000 1.193 583 H CB 0.488 30.357 29.762 0.179 0.000 1.485 583 H HN 0.155 nan 8.280 nan 0.000 0.521 584 N N 1.170 119.952 118.700 0.138 0.000 2.269 584 N HA 0.408 5.148 4.740 0.001 0.000 0.304 584 N C -0.735 174.788 175.510 0.022 0.000 1.072 584 N CA -0.496 52.611 53.050 0.096 0.000 0.802 584 N CB 2.662 41.200 38.487 0.084 0.000 1.348 584 N HN 0.148 nan 8.380 nan 0.000 0.484 585 R N 0.943 121.451 120.500 0.013 0.000 2.725 585 R HA 0.636 4.976 4.340 0.001 0.000 0.277 585 R C -0.817 175.415 176.300 -0.115 0.000 0.987 585 R CA -0.649 55.386 56.100 -0.107 0.000 0.901 585 R CB 2.237 32.459 30.300 -0.130 0.000 1.207 585 R HN 0.486 nan 8.270 nan 0.000 0.463 586 I N 2.900 123.310 120.570 -0.267 0.000 2.478 586 I HA 0.318 4.488 4.170 0.001 0.000 0.287 586 I C -1.227 174.706 176.117 -0.307 0.000 1.042 586 I CA -0.739 60.465 61.300 -0.160 0.000 1.067 586 I CB 1.610 39.564 38.000 -0.077 0.000 1.233 586 I HN 0.492 nan 8.210 nan 0.000 0.431 587 Y N 7.067 127.336 120.300 -0.052 0.000 2.341 587 Y HA 0.700 5.250 4.550 0.001 0.000 0.337 587 Y C -0.136 175.730 175.900 -0.057 0.000 1.014 587 Y CA -0.966 57.102 58.100 -0.054 0.000 1.111 587 Y CB 1.555 39.988 38.460 -0.044 0.000 1.194 587 Y HN 0.390 nan 8.280 nan 0.000 0.462 588 L N -0.098 121.173 121.223 0.080 0.000 2.600 588 L HA 0.770 5.111 4.340 0.001 0.000 0.257 588 L C -1.609 175.277 176.870 0.028 0.000 1.048 588 L CA -1.541 53.316 54.840 0.029 0.000 0.869 588 L CB 2.211 44.271 42.059 0.002 0.000 1.482 588 L HN 0.427 nan 8.230 nan 0.000 0.408 589 K N 0.383 120.783 120.400 0.001 0.000 2.501 589 K HA 0.886 5.206 4.320 0.001 0.000 0.252 589 K C -1.353 175.242 176.600 -0.009 0.000 0.934 589 K CA -0.620 55.663 56.287 -0.007 0.000 0.797 589 K CB 2.497 34.980 32.500 -0.029 0.000 1.270 589 K HN 1.043 nan 8.250 nan 0.000 0.431 590 A N 2.373 125.193 122.820 -0.001 0.000 2.306 590 A HA 0.659 4.979 4.320 0.001 0.000 0.330 590 A C -0.876 176.683 177.584 -0.041 0.000 1.146 590 A CA -0.339 51.703 52.037 0.008 0.000 0.827 590 A CB 0.691 19.718 19.000 0.044 0.000 1.178 590 A HN 0.839 nan 8.150 nan 0.000 0.490 591 E N 0.194 120.373 120.200 -0.036 0.000 2.401 591 E HA 0.528 4.878 4.350 0.001 0.000 0.280 591 E C -3.210 173.368 176.600 -0.036 0.000 1.039 591 E CA -2.108 54.256 56.400 -0.060 0.000 0.814 591 E CB 1.297 30.950 29.700 -0.079 0.000 1.275 591 E HN 0.269 nan 8.360 nan 0.000 0.448 592 P HA 0.198 nan 4.420 nan 0.000 0.271 592 P C -0.601 176.712 177.300 0.022 0.000 1.216 592 P CA -0.047 63.045 63.100 -0.013 0.000 0.776 592 P CB 0.489 32.175 31.700 -0.024 0.000 0.881 593 I N 2.774 123.382 120.570 0.063 0.000 2.353 593 I HA 0.161 4.332 4.170 0.001 0.000 0.293 593 I C 0.595 176.771 176.117 0.098 0.000 0.992 593 I CA -0.600 60.770 61.300 0.116 0.000 1.268 593 I CB 0.679 38.765 38.000 0.144 0.000 1.387 593 I HN 0.176 nan 8.210 nan 0.000 0.478 594 D N 6.114 126.587 120.400 0.122 0.000 2.443 594 D HA -0.041 4.600 4.640 0.001 0.000 0.239 594 D C 1.176 177.535 176.300 0.098 0.000 1.136 594 D CA 0.131 54.195 54.000 0.107 0.000 0.879 594 D CB 1.109 41.992 40.800 0.139 0.000 1.195 594 D HN 0.484 nan 8.370 nan 0.000 0.443 595 E N 2.031 122.282 120.200 0.085 0.000 2.147 595 E HA -0.229 4.121 4.350 0.001 0.000 0.199 595 E C 1.505 178.159 176.600 0.090 0.000 1.005 595 E CA 1.270 57.720 56.400 0.084 0.000 0.810 595 E CB 0.183 29.927 29.700 0.073 0.000 0.736 595 E HN 0.563 nan 8.360 nan 0.000 0.460 596 E N -0.024 120.246 120.200 0.117 0.000 2.058 596 E HA -0.165 4.185 4.350 0.001 0.000 0.194 596 E C 2.251 178.880 176.600 0.048 0.000 0.997 596 E CA 1.515 58.015 56.400 0.166 0.000 0.801 596 E CB -0.077 29.803 29.700 0.299 0.000 0.746 596 E HN 0.106 nan 8.360 nan 0.000 0.450 597 V N 1.082 120.969 119.914 -0.045 0.000 2.379 597 V HA -0.204 3.916 4.120 0.001 0.000 0.245 597 V C 2.305 178.325 176.094 -0.124 0.000 1.044 597 V CA 1.699 63.833 62.300 -0.278 0.000 1.036 597 V CB -0.371 31.371 31.823 -0.136 0.000 0.664 597 V HN 0.175 nan 8.190 nan 0.000 0.453 598 S N 0.423 116.122 115.700 -0.002 0.000 2.356 598 S HA -0.131 4.339 4.470 0.001 0.000 0.223 598 S C 1.952 176.583 174.600 0.052 0.000 1.032 598 S CA 1.583 59.808 58.200 0.041 0.000 1.005 598 S CB -0.412 62.828 63.200 0.066 0.000 0.867 598 S HN 0.457 nan 8.310 nan 0.000 0.449 599 L N 1.190 122.451 121.223 0.063 0.000 2.042 599 L HA -0.165 4.175 4.340 0.001 0.000 0.210 599 L C 2.792 179.693 176.870 0.052 0.000 1.076 599 L CA 1.248 56.137 54.840 0.083 0.000 0.749 599 L CB -0.711 41.404 42.059 0.093 0.000 0.893 599 L HN 0.333 nan 8.230 nan 0.000 0.432 600 A N 0.125 122.942 122.820 -0.005 0.000 1.933 600 A HA -0.169 4.151 4.320 0.001 0.000 0.218 600 A C 2.218 179.781 177.584 -0.034 0.000 1.175 600 A CA 1.489 53.505 52.037 -0.036 0.000 0.628 600 A CB -0.616 18.246 19.000 -0.229 0.000 0.814 600 A HN 0.376 nan 8.150 nan 0.000 0.444 601 I N -0.575 119.977 120.570 -0.030 0.000 2.252 601 I HA -0.228 3.943 4.170 0.001 0.000 0.245 601 I C 2.325 178.451 176.117 0.016 0.000 1.102 601 I CA 1.508 62.813 61.300 0.009 0.000 1.385 601 I CB -0.421 37.635 38.000 0.093 0.000 1.064 601 I HN 0.406 nan 8.210 nan 0.000 0.414 602 E N 0.655 120.884 120.200 0.049 0.000 2.274 602 E HA -0.134 4.217 4.350 0.001 0.000 0.194 602 E C 1.175 177.816 176.600 0.069 0.000 0.996 602 E CA 0.641 57.082 56.400 0.069 0.000 0.840 602 E CB -0.027 29.744 29.700 0.119 0.000 0.772 602 E HN 0.427 nan 8.360 nan 0.000 0.491 603 N N -0.679 118.058 118.700 0.061 0.000 2.280 603 N HA 0.049 4.790 4.740 0.001 0.000 0.192 603 N C 0.956 176.499 175.510 0.054 0.000 1.109 603 N CA 0.817 53.908 53.050 0.068 0.000 0.855 603 N CB 1.352 39.883 38.487 0.072 0.000 0.974 603 N HN 0.273 nan 8.380 nan 0.000 0.482 604 G N 1.103 109.920 108.800 0.028 0.000 2.253 604 G HA2 -0.312 3.649 3.960 0.001 0.000 0.251 604 G HA3 -0.312 3.649 3.960 0.001 0.000 0.251 604 G C 1.121 176.020 174.900 -0.002 0.000 0.998 604 G CA 0.373 45.481 45.100 0.013 0.000 0.621 604 G HN 0.351 nan 8.290 nan 0.000 0.524 605 I N 0.709 121.287 120.570 0.014 0.000 2.145 605 I HA -0.095 4.075 4.170 0.001 0.000 0.244 605 I C 1.323 177.444 176.117 0.006 0.000 1.075 605 I CA 1.530 62.846 61.300 0.025 0.000 1.332 605 I CB -0.200 37.844 38.000 0.073 0.000 1.033 605 I HN 0.222 nan 8.210 nan 0.000 0.410 606 I N 1.655 122.209 120.570 -0.028 0.000 2.359 606 I HA 0.162 4.333 4.170 0.001 0.000 0.284 606 I C -0.513 175.554 176.117 -0.084 0.000 1.018 606 I CA -0.408 60.870 61.300 -0.036 0.000 1.173 606 I CB 0.606 38.563 38.000 -0.071 0.000 1.326 606 I HN 0.260 nan 8.210 nan 0.000 0.462 607 N N 5.497 124.119 118.700 -0.131 0.000 2.240 607 N HA 0.512 5.252 4.740 0.001 0.000 0.302 607 N C -2.528 172.745 175.510 -0.394 0.000 1.106 607 N CA -1.799 51.063 53.050 -0.312 0.000 0.778 607 N CB 2.164 40.547 38.487 -0.174 0.000 1.431 607 N HN -0.011 nan 8.380 nan 0.000 0.479 608 P HA -0.119 nan 4.420 nan 0.000 0.221 608 P C 0.318 177.551 177.300 -0.111 0.000 1.145 608 P CA 1.202 64.002 63.100 -0.500 0.000 0.795 608 P CB 0.167 31.548 31.700 -0.532 0.000 0.775 609 R N -1.529 118.909 120.500 -0.103 0.000 2.317 609 R HA 0.109 4.450 4.340 0.001 0.000 0.208 609 R C 0.337 176.645 176.300 0.014 0.000 0.914 609 R CA -0.098 55.989 56.100 -0.022 0.000 1.060 609 R CB -0.297 29.991 30.300 -0.020 0.000 1.015 609 R HN 0.223 nan 8.270 nan 0.000 0.498 610 D N 1.371 121.778 120.400 0.012 0.000 2.363 610 D HA -0.043 4.597 4.640 0.001 0.000 0.240 610 D C -0.336 176.010 176.300 0.076 0.000 1.236 610 D CA 0.000 54.021 54.000 0.034 0.000 0.927 610 D CB 0.457 41.271 40.800 0.025 0.000 1.150 610 D HN -0.079 nan 8.370 nan 0.000 0.458 611 D N -0.262 120.171 120.400 0.054 0.000 2.417 611 D HA -0.032 4.608 4.640 0.001 0.000 0.250 611 D C 1.057 177.388 176.300 0.052 0.000 1.166 611 D CA -0.181 53.855 54.000 0.059 0.000 0.881 611 D CB 0.154 40.940 40.800 -0.023 0.000 1.164 611 D HN 0.336 nan 8.370 nan 0.000 0.467 612 F N 3.039 123.013 119.950 0.040 0.000 2.250 612 F HA -0.045 4.483 4.527 0.001 0.000 0.301 612 F C 1.648 177.472 175.800 0.041 0.000 1.077 612 F CA 0.736 58.766 58.000 0.050 0.000 1.348 612 F CB -0.236 38.800 39.000 0.059 0.000 1.040 612 F HN 0.235 nan 8.300 nan 0.000 0.509 613 K N 0.883 120.772 120.400 -0.852 0.000 2.062 613 K HA 0.074 4.394 4.320 0.001 0.000 0.205 613 K C 2.485 178.944 176.600 -0.236 0.000 1.051 613 K CA 0.990 56.916 56.287 -0.602 0.000 0.941 613 K CB -0.437 31.666 32.500 -0.661 0.000 0.719 613 K HN 0.364 nan 8.250 nan 0.000 0.440 614 A N 1.518 124.233 122.820 -0.174 0.000 1.930 614 A HA -0.163 4.157 4.320 0.001 0.000 0.217 614 A C 2.076 179.637 177.584 -0.038 0.000 1.175 614 A CA 1.295 53.283 52.037 -0.082 0.000 0.627 614 A CB -0.391 18.574 19.000 -0.058 0.000 0.815 614 A HN 0.203 nan 8.150 nan 0.000 0.443 615 R N -0.374 120.113 120.500 -0.021 0.000 2.075 615 R HA -0.060 4.281 4.340 0.001 0.000 0.232 615 R C 2.284 178.584 176.300 -0.000 0.000 1.126 615 R CA 1.363 57.469 56.100 0.011 0.000 0.963 615 R CB -0.387 29.947 30.300 0.057 0.000 0.858 615 R HN 0.417 nan 8.270 nan 0.000 0.435 616 A N 0.940 123.763 122.820 0.005 0.000 1.902 616 A HA -0.192 4.129 4.320 0.001 0.000 0.217 616 A C 2.142 179.744 177.584 0.031 0.000 1.181 616 A CA 1.524 53.575 52.037 0.023 0.000 0.623 616 A CB -0.499 18.538 19.000 0.062 0.000 0.818 616 A HN 0.279 nan 8.150 nan 0.000 0.443 617 R N 0.218 120.722 120.500 0.006 0.000 2.103 617 R HA -0.089 4.252 4.340 0.001 0.000 0.242 617 R C 1.771 178.092 176.300 0.035 0.000 1.142 617 R CA 1.926 58.034 56.100 0.013 0.000 0.960 617 R CB -0.681 29.612 30.300 -0.013 0.000 0.858 617 R HN 0.617 nan 8.270 nan 0.000 0.439 618 I N -0.450 120.144 120.570 0.039 0.000 2.202 618 I HA -0.270 3.901 4.170 0.001 0.000 0.242 618 I C 2.202 178.413 176.117 0.157 0.000 1.091 618 I CA 1.400 62.748 61.300 0.079 0.000 1.368 618 I CB -0.233 37.820 38.000 0.088 0.000 1.058 618 I HN 0.199 nan 8.210 nan 0.000 0.410 619 M N 0.298 119.959 119.600 0.102 0.000 2.213 619 M HA -0.143 4.337 4.480 0.001 0.000 0.263 619 M C 2.421 178.863 176.300 0.237 0.000 1.062 619 M CA 1.754 57.106 55.300 0.086 0.000 1.105 619 M CB -0.423 31.978 32.600 -0.332 0.000 1.385 619 M HN 0.308 nan 8.290 nan 0.000 0.417 620 A N 0.240 123.175 122.820 0.192 0.000 1.878 620 A HA -0.101 4.219 4.320 0.001 0.000 0.213 620 A C 1.697 179.361 177.584 0.133 0.000 1.192 620 A CA 1.437 53.598 52.037 0.206 0.000 0.619 620 A CB -0.412 18.680 19.000 0.153 0.000 0.837 620 A HN 0.306 nan 8.150 nan 0.000 0.446 621 D N 0.172 120.619 120.400 0.078 0.000 2.149 621 D HA -0.059 4.582 4.640 0.001 0.000 0.201 621 D C 0.758 177.037 176.300 -0.036 0.000 0.972 621 D CA 1.207 55.219 54.000 0.021 0.000 0.835 621 D CB -0.160 40.643 40.800 0.004 0.000 0.966 621 D HN 0.388 nan 8.370 nan 0.000 0.476 622 D N -1.400 118.948 120.400 -0.087 0.000 2.423 622 D HA 0.023 4.664 4.640 0.001 0.000 0.208 622 D C 0.546 176.496 176.300 -0.583 0.000 1.068 622 D CA 0.296 54.072 54.000 -0.374 0.000 0.860 622 D CB 0.301 40.771 40.800 -0.549 0.000 0.992 622 D HN 0.307 nan 8.370 nan 0.000 0.504 623 Y N -0.382 119.975 120.300 0.096 0.000 2.717 623 Y HA 0.352 4.902 4.550 0.001 0.000 0.250 623 Y C 1.274 177.319 175.900 0.241 0.000 1.149 623 Y CA -0.453 57.741 58.100 0.156 0.000 1.211 623 Y CB 0.951 39.503 38.460 0.153 0.000 1.289 623 Y HN -0.080 nan 8.280 nan 0.000 0.552 624 G N 0.302 109.262 108.800 0.267 0.000 2.338 624 G HA2 -0.313 3.648 3.960 0.001 0.000 0.296 624 G HA3 -0.313 3.648 3.960 0.001 0.000 0.296 624 G C -0.439 174.612 174.900 0.251 0.000 1.040 624 G CA -0.169 45.052 45.100 0.202 0.000 1.004 624 G HN 0.322 nan 8.290 nan 0.000 0.509 625 W N 0.037 121.385 121.300 0.080 0.000 2.449 625 W HA 0.535 5.195 4.660 0.001 0.000 0.331 625 W C 0.227 176.770 176.519 0.040 0.000 1.119 625 W CA -0.733 56.647 57.345 0.059 0.000 1.240 625 W CB 0.902 30.404 29.460 0.071 0.000 1.251 625 W HN 0.101 nan 8.180 nan 0.000 0.576 626 D N 1.989 122.473 120.400 0.140 0.000 2.382 626 D HA -0.043 4.597 4.640 0.001 0.000 0.259 626 D C 1.167 177.591 176.300 0.206 0.000 1.224 626 D CA 0.279 54.346 54.000 0.111 0.000 0.894 626 D CB 1.688 42.495 40.800 0.012 0.000 1.127 626 D HN 0.220 nan 8.370 nan 0.000 0.487 627 V N 3.654 123.667 119.914 0.165 0.000 2.867 627 V HA -0.240 3.881 4.120 0.001 0.000 0.260 627 V C 2.203 178.390 176.094 0.156 0.000 1.099 627 V CA 2.486 64.883 62.300 0.162 0.000 1.122 627 V CB -0.422 31.464 31.823 0.106 0.000 0.708 627 V HN 0.743 nan 8.190 nan 0.000 0.490 628 T N -3.262 111.369 114.554 0.127 0.000 2.857 628 T HA -0.153 4.197 4.350 0.001 0.000 0.266 628 T C 1.611 176.392 174.700 0.135 0.000 1.048 628 T CA 1.358 63.525 62.100 0.112 0.000 1.139 628 T CB -0.405 68.503 68.868 0.067 0.000 0.874 628 T HN 0.458 nan 8.240 nan 0.000 0.455 629 D N 2.063 122.559 120.400 0.159 0.000 2.103 629 D HA 0.130 4.771 4.640 0.001 0.000 0.199 629 D C 2.499 179.007 176.300 0.346 0.000 0.978 629 D CA 1.429 55.549 54.000 0.200 0.000 0.829 629 D CB -0.695 40.176 40.800 0.119 0.000 0.981 629 D HN 0.538 nan 8.370 nan 0.000 0.464 630 A N 0.555 123.643 122.820 0.447 0.000 2.019 630 A HA -0.148 4.173 4.320 0.001 0.000 0.219 630 A C 2.154 179.852 177.584 0.190 0.000 1.164 630 A CA 1.229 53.421 52.037 0.258 0.000 0.644 630 A CB -0.364 18.730 19.000 0.156 0.000 0.805 630 A HN 0.029 nan 8.150 nan 0.000 0.449 631 R N -0.334 120.307 120.500 0.235 0.000 2.236 631 R HA 0.081 4.421 4.340 0.001 0.000 0.208 631 R C 0.839 177.306 176.300 0.279 0.000 1.036 631 R CA 0.967 57.264 56.100 0.327 0.000 1.001 631 R CB -0.019 30.460 30.300 0.299 0.000 0.896 631 R HN 0.363 nan 8.270 nan 0.000 0.464 632 K N 0.177 120.691 120.400 0.190 0.000 2.699 632 K HA 0.228 4.548 4.320 0.001 0.000 0.210 632 K C -0.646 176.044 176.600 0.150 0.000 1.076 632 K CA -0.185 56.191 56.287 0.149 0.000 1.109 632 K CB 0.620 33.174 32.500 0.090 0.000 0.862 632 K HN 0.113 nan 8.250 nan 0.000 0.470 633 I N 1.075 121.731 120.570 0.143 0.000 2.533 633 I HA -0.103 4.067 4.170 0.001 0.000 0.284 633 I C 0.660 176.911 176.117 0.223 0.000 1.109 633 I CA -0.050 61.298 61.300 0.081 0.000 1.412 633 I CB 0.410 38.387 38.000 -0.039 0.000 1.396 633 I HN 0.276 nan 8.210 nan 0.000 0.543 634 W N 6.059 127.281 121.300 -0.131 0.000 2.630 634 W HA 0.145 4.806 4.660 0.001 0.000 0.271 634 W C 0.706 177.186 176.519 -0.065 0.000 1.244 634 W CA -0.248 57.036 57.345 -0.101 0.000 1.353 634 W CB 0.000 29.389 29.460 -0.119 0.000 1.080 634 W HN 0.683 nan 8.180 nan 0.000 0.594 635 C N -3.538 115.821 119.300 0.098 0.000 3.176 635 C HA 0.584 5.044 4.460 0.001 0.000 0.343 635 C C -0.663 174.354 174.990 0.045 0.000 1.332 635 C CA -1.942 57.165 59.018 0.148 0.000 1.200 635 C CB 0.218 28.072 27.740 0.191 0.000 1.440 635 C HN -0.074 nan 8.230 nan 0.000 0.458 636 F N 0.799 120.834 119.950 0.143 0.000 2.497 636 F HA 0.856 5.383 4.527 0.001 0.000 0.331 636 F C 1.057 177.000 175.800 0.239 0.000 1.060 636 F CA 0.608 58.716 58.000 0.180 0.000 0.989 636 F CB 2.345 41.394 39.000 0.081 0.000 1.245 636 F HN 1.182 nan 8.300 nan 0.000 0.486 637 G N 0.906 109.930 108.800 0.374 0.000 2.703 637 G HA2 0.602 4.562 3.960 0.001 0.000 0.294 637 G HA3 0.602 4.562 3.960 0.001 0.000 0.294 637 G C -3.395 171.479 174.900 -0.043 0.000 1.451 637 G CA -1.381 43.773 45.100 0.091 0.000 0.869 637 G HN 0.210 nan 8.290 nan 0.000 0.516 638 P HA 0.330 nan 4.420 nan 0.000 0.302 638 P C -0.478 176.748 177.300 -0.124 0.000 1.307 638 P CA -0.228 62.762 63.100 -0.183 0.000 0.754 638 P CB 0.613 32.150 31.700 -0.271 0.000 1.298 639 D N -1.800 118.494 120.400 -0.176 0.000 2.882 639 D HA -0.197 4.443 4.640 0.001 0.000 0.229 639 D C 1.018 177.278 176.300 -0.068 0.000 1.167 639 D CA 1.740 55.653 54.000 -0.146 0.000 0.759 639 D CB -1.841 38.867 40.800 -0.154 0.000 1.088 639 D HN 0.848 nan 8.370 nan 0.000 0.425 640 G N 0.956 109.751 108.800 -0.008 0.000 2.196 640 G HA2 -0.397 3.563 3.960 0.001 0.000 0.268 640 G HA3 -0.397 3.563 3.960 0.001 0.000 0.268 640 G C 0.582 175.522 174.900 0.067 0.000 0.975 640 G CA 1.150 46.287 45.100 0.061 0.000 0.648 640 G HN 0.720 nan 8.290 nan 0.000 0.538 641 N N -0.799 117.921 118.700 0.034 0.000 2.039 641 N HA 0.349 5.089 4.740 0.001 0.000 0.228 641 N C 0.859 176.387 175.510 0.030 0.000 1.369 641 N CA 0.770 53.784 53.050 -0.059 0.000 0.806 641 N CB -0.293 38.114 38.487 -0.134 0.000 1.190 641 N HN 0.738 nan 8.380 nan 0.000 0.506 642 G N 1.043 109.906 108.800 0.106 0.000 2.606 642 G HA2 0.328 4.288 3.960 0.001 0.000 0.252 642 G HA3 0.328 4.288 3.960 0.001 0.000 0.252 642 G C -1.953 173.062 174.900 0.192 0.000 1.206 642 G CA -1.198 43.953 45.100 0.085 0.000 0.861 642 G HN 0.046 nan 8.290 nan 0.000 0.561 643 P HA 0.068 nan 4.420 nan 0.000 0.261 643 P C -0.738 176.632 177.300 0.117 0.000 1.650 643 P CA 0.179 63.355 63.100 0.126 0.000 0.846 643 P CB -0.243 31.494 31.700 0.061 0.000 1.758 644 N N 0.720 119.522 118.700 0.170 0.000 2.260 644 N HA 0.423 5.164 4.740 0.001 0.000 0.293 644 N C -0.745 174.942 175.510 0.294 0.000 1.058 644 N CA -0.525 52.660 53.050 0.225 0.000 0.824 644 N CB 2.364 40.947 38.487 0.160 0.000 1.551 644 N HN 0.041 nan 8.380 nan 0.000 0.475 645 L N 1.123 122.466 121.223 0.201 0.000 2.381 645 L HA 0.582 4.923 4.340 0.001 0.000 0.268 645 L C -0.506 176.184 176.870 -0.299 0.000 0.997 645 L CA -1.092 53.682 54.840 -0.110 0.000 0.818 645 L CB 2.484 44.454 42.059 -0.149 0.000 1.310 645 L HN 0.092 nan 8.230 nan 0.000 0.416 646 V N 4.257 123.837 119.914 -0.557 0.000 2.370 646 V HA 0.427 4.547 4.120 0.001 0.000 0.283 646 V C -0.047 175.868 176.094 -0.299 0.000 1.023 646 V CA -0.445 61.512 62.300 -0.571 0.000 0.857 646 V CB 1.749 33.133 31.823 -0.731 0.000 0.985 646 V HN 0.383 nan 8.190 nan 0.000 0.443 647 I N 3.615 124.030 120.570 -0.258 0.000 2.404 647 I HA 0.369 4.539 4.170 0.001 0.000 0.293 647 I C -0.178 175.714 176.117 -0.375 0.000 0.992 647 I CA -0.594 60.583 61.300 -0.205 0.000 1.149 647 I CB 1.753 39.715 38.000 -0.063 0.000 1.315 647 I HN 0.572 nan 8.210 nan 0.000 0.446 648 D N 5.702 125.816 120.400 -0.475 0.000 2.380 648 D HA 0.206 4.847 4.640 0.001 0.000 0.230 648 D C 0.042 176.180 176.300 -0.270 0.000 1.154 648 D CA 0.087 53.733 54.000 -0.590 0.000 0.859 648 D CB 0.706 41.031 40.800 -0.791 0.000 1.045 648 D HN 0.453 nan 8.370 nan 0.000 0.495 649 Q N 2.126 121.790 119.800 -0.228 0.000 2.165 649 Q HA 0.132 4.473 4.340 0.001 0.000 0.245 649 Q C 0.098 176.030 176.000 -0.112 0.000 0.841 649 Q CA -0.309 55.414 55.803 -0.134 0.000 1.078 649 Q CB 0.760 29.427 28.738 -0.118 0.000 1.169 649 Q HN 0.565 nan 8.270 nan 0.000 0.475 650 T N -0.911 113.568 114.554 -0.125 0.000 2.913 650 T HA 0.298 4.649 4.350 0.001 0.000 0.297 650 T C 0.048 174.717 174.700 -0.052 0.000 1.029 650 T CA -0.712 61.336 62.100 -0.085 0.000 1.104 650 T CB 1.143 69.964 68.868 -0.079 0.000 0.964 650 T HN -0.150 nan 8.240 nan 0.000 0.532 651 K N 1.762 122.133 120.400 -0.048 0.000 2.307 651 K HA 0.590 4.910 4.320 0.001 0.000 0.263 651 K C 0.444 177.026 176.600 -0.030 0.000 0.973 651 K CA -0.468 55.797 56.287 -0.036 0.000 0.846 651 K CB 1.053 33.527 32.500 -0.043 0.000 1.100 651 K HN 1.199 nan 8.250 nan 0.000 0.438 652 A N 1.608 124.418 122.820 -0.017 0.000 2.687 652 A HA -0.140 4.180 4.320 0.001 0.000 0.299 652 A C -0.128 177.437 177.584 -0.031 0.000 1.497 652 A CA 0.464 52.489 52.037 -0.021 0.000 0.751 652 A CB -2.015 16.968 19.000 -0.029 0.000 1.048 652 A HN 0.314 nan 8.150 nan 0.000 0.464 653 V N 1.580 121.485 119.914 -0.014 0.000 2.370 653 V HA 0.322 4.443 4.120 0.001 0.000 0.279 653 V C 0.642 176.717 176.094 -0.032 0.000 1.029 653 V CA -0.192 62.095 62.300 -0.021 0.000 0.870 653 V CB 1.450 33.280 31.823 0.012 0.000 0.984 653 V HN 0.691 nan 8.190 nan 0.000 0.451 654 Q N 3.463 123.176 119.800 -0.144 0.000 2.259 654 Q HA 0.423 4.764 4.340 0.001 0.000 0.246 654 Q C -0.273 175.546 176.000 -0.302 0.000 0.920 654 Q CA -0.503 55.133 55.803 -0.278 0.000 0.895 654 Q CB 0.868 29.290 28.738 -0.526 0.000 1.220 654 Q HN 0.722 nan 8.270 nan 0.000 0.439 655 Y N -1.640 118.618 120.300 -0.069 0.000 4.929 655 Y HA -0.286 4.265 4.550 0.001 0.000 0.253 655 Y C 0.877 176.567 175.900 -0.350 0.000 0.946 655 Y CA 0.450 58.380 58.100 -0.284 0.000 1.905 655 Y CB -1.955 36.427 38.460 -0.130 0.000 1.400 655 Y HN 0.634 nan 8.280 nan 0.000 0.531 656 L N 1.649 122.870 121.223 -0.004 0.000 2.043 656 L HA -0.229 4.112 4.340 0.001 0.000 0.212 656 L C 2.828 179.771 176.870 0.122 0.000 1.075 656 L CA 2.862 57.781 54.840 0.132 0.000 0.752 656 L CB -0.701 41.500 42.059 0.236 0.000 0.891 656 L HN 0.593 nan 8.230 nan 0.000 0.432 657 H N -1.370 117.778 119.070 0.131 0.000 2.489 657 H HA -0.083 4.473 4.556 0.001 0.000 0.293 657 H C 1.483 176.801 175.328 -0.016 0.000 1.066 657 H CA 1.333 57.384 56.048 0.005 0.000 1.305 657 H CB -0.557 29.199 29.762 -0.011 0.000 1.386 657 H HN 0.570 nan 8.280 nan 0.000 0.551 658 E N 1.099 121.158 120.200 -0.236 0.000 2.427 658 E HA 0.035 4.386 4.350 0.001 0.000 0.196 658 E C 1.759 178.335 176.600 -0.041 0.000 1.028 658 E CA 0.753 57.083 56.400 -0.117 0.000 0.864 658 E CB 0.152 29.754 29.700 -0.165 0.000 0.813 658 E HN 0.726 nan 8.360 nan 0.000 0.514 659 I N -2.624 117.948 120.570 0.002 0.000 4.025 659 I HA 0.210 4.380 4.170 0.001 0.000 0.336 659 I C 1.832 177.989 176.117 0.067 0.000 1.390 659 I CA -0.287 61.045 61.300 0.053 0.000 1.099 659 I CB 0.306 38.369 38.000 0.105 0.000 1.049 659 I HN -0.184 nan 8.210 nan 0.000 0.394 660 K N 1.864 122.226 120.400 -0.063 0.000 2.026 660 K HA -0.181 4.139 4.320 0.001 0.000 0.208 660 K C 1.301 177.814 176.600 -0.144 0.000 1.048 660 K CA 2.286 58.389 56.287 -0.307 0.000 0.929 660 K CB 0.016 32.037 32.500 -0.798 0.000 0.713 660 K HN 0.307 nan 8.250 nan 0.000 0.439 661 D N 0.178 120.518 120.400 -0.099 0.000 2.149 661 D HA -0.114 4.526 4.640 0.001 0.000 0.198 661 D C 1.942 178.259 176.300 0.028 0.000 0.990 661 D CA 1.094 55.071 54.000 -0.038 0.000 0.839 661 D CB -0.186 40.596 40.800 -0.030 0.000 0.948 661 D HN 0.134 nan 8.370 nan 0.000 0.460 662 S N -0.244 115.483 115.700 0.044 0.000 2.355 662 S HA -0.077 4.393 4.470 0.001 0.000 0.222 662 S C 2.327 176.997 174.600 0.117 0.000 1.031 662 S CA 0.479 58.723 58.200 0.073 0.000 0.993 662 S CB -0.149 63.087 63.200 0.060 0.000 0.859 662 S HN 0.082 nan 8.310 nan 0.000 0.453 663 V N 1.578 121.587 119.914 0.158 0.000 2.332 663 V HA -0.142 3.978 4.120 0.001 0.000 0.248 663 V C 2.299 178.535 176.094 0.237 0.000 1.055 663 V CA 1.419 63.852 62.300 0.222 0.000 1.038 663 V CB -0.781 31.268 31.823 0.376 0.000 0.651 663 V HN 0.317 nan 8.190 nan 0.000 0.450 664 V N 0.235 120.272 119.914 0.204 0.000 2.295 664 V HA -0.249 3.872 4.120 0.001 0.000 0.246 664 V C 2.720 178.937 176.094 0.206 0.000 1.049 664 V CA 2.032 64.452 62.300 0.200 0.000 1.024 664 V CB -1.082 30.803 31.823 0.104 0.000 0.648 664 V HN 0.562 nan 8.190 nan 0.000 0.447 665 A N -0.037 122.877 122.820 0.158 0.000 1.902 665 A HA -0.147 4.174 4.320 0.001 0.000 0.217 665 A C 2.418 180.139 177.584 0.228 0.000 1.181 665 A CA 2.160 54.297 52.037 0.167 0.000 0.623 665 A CB -0.796 18.291 19.000 0.146 0.000 0.818 665 A HN 0.582 nan 8.150 nan 0.000 0.443 666 A N -1.497 121.449 122.820 0.210 0.000 1.933 666 A HA -0.055 4.266 4.320 0.001 0.000 0.218 666 A C 2.016 179.738 177.584 0.229 0.000 1.175 666 A CA 1.597 53.753 52.037 0.198 0.000 0.628 666 A CB -0.672 18.409 19.000 0.135 0.000 0.814 666 A HN 0.616 nan 8.150 nan 0.000 0.444 667 F N 0.563 120.568 119.950 0.091 0.000 2.234 667 F HA -0.130 4.398 4.527 0.001 0.000 0.299 667 F C 2.386 178.213 175.800 0.045 0.000 1.087 667 F CA 1.645 59.688 58.000 0.071 0.000 1.340 667 F CB -0.044 39.003 39.000 0.078 0.000 1.031 667 F HN 0.207 nan 8.300 nan 0.000 0.500 668 Q N -1.116 118.718 119.800 0.057 0.000 2.124 668 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 668 Q C 2.079 177.911 176.000 -0.280 0.000 0.977 668 Q CA 1.816 57.531 55.803 -0.147 0.000 0.850 668 Q CB -0.967 27.679 28.738 -0.153 0.000 0.901 668 Q HN 0.607 nan 8.270 nan 0.000 0.429 669 W N 0.369 121.615 121.300 -0.091 0.000 2.539 669 W HA 0.129 4.790 4.660 0.001 0.000 0.281 669 W C 2.423 178.870 176.519 -0.121 0.000 1.220 669 W CA 0.639 57.925 57.345 -0.097 0.000 1.332 669 W CB -0.187 29.232 29.460 -0.068 0.000 1.095 669 W HN 0.111 nan 8.180 nan 0.000 0.571 670 A N 0.189 123.053 122.820 0.074 0.000 1.902 670 A HA -0.238 4.082 4.320 0.001 0.000 0.217 670 A C 1.909 179.426 177.584 -0.111 0.000 1.181 670 A CA 2.565 54.627 52.037 0.043 0.000 0.623 670 A CB -1.428 17.576 19.000 0.007 0.000 0.818 670 A HN 0.293 nan 8.150 nan 0.000 0.443 671 T N -3.359 110.985 114.554 -0.350 0.000 3.067 671 T HA 0.048 4.398 4.350 0.001 0.000 0.261 671 T C 1.690 176.213 174.700 -0.294 0.000 1.110 671 T CA 1.331 63.189 62.100 -0.403 0.000 1.113 671 T CB 0.038 68.540 68.868 -0.611 0.000 0.917 671 T HN 0.277 nan 8.240 nan 0.000 0.499 672 K N 2.051 122.306 120.400 -0.242 0.000 2.062 672 K HA 0.095 4.415 4.320 0.001 0.000 0.205 672 K C 0.429 176.936 176.600 -0.155 0.000 1.051 672 K CA 0.970 57.117 56.287 -0.232 0.000 0.941 672 K CB 0.115 32.428 32.500 -0.313 0.000 0.719 672 K HN 0.565 nan 8.250 nan 0.000 0.440 673 E N 0.008 120.167 120.200 -0.069 0.000 2.316 673 E HA 0.314 4.664 4.350 0.001 0.000 0.254 673 E C -0.679 175.825 176.600 -0.159 0.000 0.902 673 E CA -0.542 55.805 56.400 -0.088 0.000 0.801 673 E CB 1.528 31.256 29.700 0.046 0.000 1.270 673 E HN 0.299 nan 8.360 nan 0.000 0.414 674 G N 2.752 111.333 108.800 -0.364 0.000 2.599 674 G HA2 0.172 4.132 3.960 0.001 0.000 0.264 674 G HA3 0.172 4.132 3.960 0.001 0.000 0.264 674 G C -1.406 173.065 174.900 -0.716 0.000 1.200 674 G CA -0.957 43.767 45.100 -0.628 0.000 0.896 674 G HN 0.279 nan 8.290 nan 0.000 0.536 675 P HA 0.008 nan 4.420 nan 0.000 0.229 675 P C 1.647 178.762 177.300 -0.308 0.000 1.160 675 P CA 0.560 63.122 63.100 -0.897 0.000 0.777 675 P CB 0.356 31.364 31.700 -1.154 0.000 0.814 676 I N -0.381 120.055 120.570 -0.224 0.000 2.206 676 I HA -0.091 4.079 4.170 0.001 0.000 0.239 676 I C 1.508 177.769 176.117 0.240 0.000 1.078 676 I CA 1.591 62.945 61.300 0.091 0.000 1.367 676 I CB -0.298 37.860 38.000 0.263 0.000 1.078 676 I HN -0.088 nan 8.210 nan 0.000 0.413 677 F N -1.121 118.745 119.950 -0.140 0.000 2.496 677 F HA 0.578 5.105 4.527 0.001 0.000 0.373 677 F C 0.555 176.246 175.800 -0.181 0.000 1.379 677 F CA -0.327 57.594 58.000 -0.133 0.000 1.066 677 F CB -0.216 38.725 39.000 -0.099 0.000 1.338 677 F HN 0.075 nan 8.300 nan 0.000 0.505 678 G N 0.251 108.823 108.800 -0.381 0.000 2.153 678 G HA2 -0.228 3.732 3.960 0.001 0.000 0.252 678 G HA3 -0.228 3.732 3.960 0.001 0.000 0.252 678 G C -0.093 174.553 174.900 -0.424 0.000 0.994 678 G CA 0.316 45.207 45.100 -0.348 0.000 0.698 678 G HN 0.477 nan 8.290 nan 0.000 0.521 679 E N 0.503 120.309 120.200 -0.656 0.000 2.250 679 E HA 0.360 4.711 4.350 0.001 0.000 0.269 679 E C 0.587 176.957 176.600 -0.384 0.000 1.018 679 E CA -0.635 55.446 56.400 -0.532 0.000 0.873 679 E CB 0.807 30.068 29.700 -0.732 0.000 1.134 679 E HN 0.563 nan 8.360 nan 0.000 0.403 680 E N 1.292 121.314 120.200 -0.296 0.000 2.413 680 E HA 0.020 4.370 4.350 0.001 0.000 0.263 680 E C 0.077 176.502 176.600 -0.292 0.000 1.015 680 E CA 0.269 56.500 56.400 -0.282 0.000 0.916 680 E CB 0.562 30.105 29.700 -0.262 0.000 0.947 680 E HN 0.212 nan 8.360 nan 0.000 0.440 681 M N 2.329 121.770 119.600 -0.266 0.000 2.241 681 M HA 0.265 4.745 4.480 0.001 0.000 0.335 681 M C 0.256 176.451 176.300 -0.175 0.000 1.122 681 M CA 0.388 55.574 55.300 -0.189 0.000 1.164 681 M CB 0.868 33.371 32.600 -0.161 0.000 1.459 681 M HN 0.360 nan 8.290 nan 0.000 0.461 682 R N -0.166 120.265 120.500 -0.116 0.000 2.584 682 R HA 0.296 4.636 4.340 0.001 0.000 0.276 682 R C -0.705 175.577 176.300 -0.030 0.000 1.046 682 R CA -0.150 55.873 56.100 -0.129 0.000 0.906 682 R CB 1.495 31.611 30.300 -0.307 0.000 1.215 682 R HN 0.828 nan 8.270 nan 0.000 0.449 683 S N 0.458 116.163 115.700 0.008 0.000 3.635 683 S HA -0.129 4.342 4.470 0.001 0.000 0.328 683 S C -0.457 174.185 174.600 0.070 0.000 1.135 683 S CA 0.882 59.110 58.200 0.047 0.000 0.942 683 S CB -1.289 61.932 63.200 0.035 0.000 0.930 683 S HN 0.369 nan 8.310 nan 0.000 0.512 684 V N 1.706 121.681 119.914 0.102 0.000 2.370 684 V HA 0.526 4.646 4.120 0.001 0.000 0.283 684 V C 0.466 176.671 176.094 0.185 0.000 1.023 684 V CA -0.574 61.812 62.300 0.143 0.000 0.857 684 V CB 1.640 33.590 31.823 0.211 0.000 0.985 684 V HN 0.447 nan 8.190 nan 0.000 0.443 685 R N 3.971 124.552 120.500 0.135 0.000 2.445 685 R HA 0.742 5.082 4.340 0.001 0.000 0.308 685 R C -1.765 174.581 176.300 0.077 0.000 0.961 685 R CA -0.417 55.754 56.100 0.118 0.000 0.862 685 R CB 1.890 32.246 30.300 0.093 0.000 1.144 685 R HN 0.511 nan 8.270 nan 0.000 0.447 686 V N 4.952 124.888 119.914 0.038 0.000 2.409 686 V HA 0.311 4.432 4.120 0.001 0.000 0.291 686 V C -0.645 175.386 176.094 -0.104 0.000 1.020 686 V CA -0.963 61.334 62.300 -0.005 0.000 0.848 686 V CB 1.701 33.548 31.823 0.040 0.000 0.990 686 V HN 0.779 nan 8.190 nan 0.000 0.430 687 N N 5.265 123.911 118.700 -0.089 0.000 2.457 687 N HA 0.461 5.202 4.740 0.001 0.000 0.250 687 N C -0.467 174.967 175.510 -0.128 0.000 0.982 687 N CA -0.315 52.659 53.050 -0.127 0.000 0.941 687 N CB 2.161 40.582 38.487 -0.110 0.000 1.120 687 N HN 0.559 nan 8.380 nan 0.000 0.505 688 I N 3.434 123.885 120.570 -0.198 0.000 2.406 688 I HA 0.015 4.185 4.170 0.001 0.000 0.293 688 I C 1.620 177.654 176.117 -0.138 0.000 1.101 688 I CA -0.104 61.089 61.300 -0.179 0.000 1.334 688 I CB 0.597 38.415 38.000 -0.304 0.000 1.421 688 I HN 0.388 nan 8.210 nan 0.000 0.513 689 L N 4.258 125.446 121.223 -0.059 0.000 2.162 689 L HA 0.106 4.447 4.340 0.001 0.000 0.205 689 L C 0.470 177.306 176.870 -0.057 0.000 1.086 689 L CA 0.970 55.777 54.840 -0.056 0.000 0.778 689 L CB -0.156 41.886 42.059 -0.029 0.000 0.928 689 L HN 0.637 nan 8.230 nan 0.000 0.446 690 D N -2.052 118.354 120.400 0.010 0.000 2.648 690 D HA 0.491 5.132 4.640 0.001 0.000 0.244 690 D C -1.510 174.896 176.300 0.177 0.000 1.244 690 D CA -0.213 53.794 54.000 0.012 0.000 0.772 690 D CB 2.518 43.207 40.800 -0.186 0.000 1.379 690 D HN -0.308 nan 8.370 nan 0.000 0.428 691 V N 1.034 121.026 119.914 0.129 0.000 2.851 691 V HA 0.633 4.754 4.120 0.001 0.000 0.307 691 V C -0.532 175.644 176.094 0.138 0.000 1.129 691 V CA -0.737 61.657 62.300 0.155 0.000 0.932 691 V CB 2.020 33.896 31.823 0.088 0.000 1.024 691 V HN 0.773 nan 8.190 nan 0.000 0.426 692 T N 3.289 117.942 114.554 0.165 0.000 2.792 692 T HA 0.860 5.211 4.350 0.001 0.000 0.280 692 T C -0.910 173.866 174.700 0.126 0.000 0.990 692 T CA -0.551 61.627 62.100 0.131 0.000 0.960 692 T CB 1.153 70.113 68.868 0.154 0.000 0.939 692 T HN 0.392 nan 8.240 nan 0.000 0.439 693 L N 2.686 123.987 121.223 0.129 0.000 2.341 693 L HA 0.503 4.844 4.340 0.001 0.000 0.267 693 L C 0.493 177.475 176.870 0.186 0.000 1.009 693 L CA -1.431 53.511 54.840 0.170 0.000 0.819 693 L CB 1.932 44.112 42.059 0.202 0.000 1.323 693 L HN 0.721 nan 8.230 nan 0.000 0.425 694 H N 0.904 120.036 119.070 0.103 0.000 2.707 694 H HA 0.110 4.666 4.556 0.001 0.000 0.359 694 H C 0.565 175.933 175.328 0.066 0.000 1.113 694 H CA 0.544 56.625 56.048 0.054 0.000 1.422 694 H CB 1.973 31.733 29.762 -0.002 0.000 1.443 694 H HN 0.825 nan 8.280 nan 0.000 0.591 695 A N 4.456 127.154 122.820 -0.204 0.000 1.933 695 A HA -0.121 4.199 4.320 0.001 0.000 0.218 695 A C 0.436 178.008 177.584 -0.019 0.000 1.175 695 A CA 1.137 53.170 52.037 -0.007 0.000 0.628 695 A CB -0.050 18.899 19.000 -0.085 0.000 0.814 695 A HN 0.709 nan 8.150 nan 0.000 0.444 696 D N -0.450 120.096 120.400 0.242 0.000 2.277 696 D HA 0.489 5.130 4.640 0.001 0.000 0.249 696 D C 0.931 177.248 176.300 0.028 0.000 1.134 696 D CA 0.539 54.607 54.000 0.114 0.000 0.863 696 D CB 1.501 42.384 40.800 0.138 0.000 1.143 696 D HN 0.175 nan 8.370 nan 0.000 0.458 697 A N 3.389 126.159 122.820 -0.082 0.000 2.121 697 A HA -0.074 4.247 4.320 0.001 0.000 0.218 697 A C 1.254 178.802 177.584 -0.060 0.000 1.154 697 A CA 0.314 52.297 52.037 -0.089 0.000 0.679 697 A CB -0.351 18.579 19.000 -0.117 0.000 0.795 697 A HN 0.665 nan 8.150 nan 0.000 0.458 701 G N -0.104 108.689 108.800 -0.011 0.000 2.553 701 G HA2 0.395 4.355 3.960 0.001 0.000 0.278 701 G HA3 0.395 4.355 3.960 0.001 0.000 0.278 701 G C 1.066 175.967 174.900 0.001 0.000 1.349 701 G CA -0.247 44.848 45.100 -0.009 0.000 1.037 701 G HN 0.192 nan 8.290 nan 0.000 0.508 702 G N -0.341 108.460 108.800 0.003 0.000 2.469 702 G HA2 -0.065 3.896 3.960 0.001 0.000 0.219 702 G HA3 -0.065 3.896 3.960 0.001 0.000 0.219 702 G C 1.807 176.707 174.900 -0.000 0.000 1.150 702 G CA 1.553 46.658 45.100 0.009 0.000 0.763 702 G HN 0.986 nan 8.290 nan 0.000 0.561 703 G N -0.402 108.392 108.800 -0.010 0.000 2.475 703 G HA2 -0.167 3.793 3.960 0.001 0.000 0.220 703 G HA3 -0.167 3.793 3.960 0.001 0.000 0.220 703 G C 1.861 176.749 174.900 -0.020 0.000 1.125 703 G CA 1.247 46.335 45.100 -0.020 0.000 0.755 703 G HN 0.418 nan 8.290 nan 0.000 0.565 704 Q N -0.570 119.223 119.800 -0.011 0.000 2.226 704 Q HA 0.161 4.501 4.340 0.001 0.000 0.199 704 Q C 2.599 178.598 176.000 -0.002 0.000 0.945 704 Q CA 0.376 56.174 55.803 -0.009 0.000 0.861 704 Q CB -0.144 28.594 28.738 0.000 0.000 0.953 704 Q HN 0.470 nan 8.270 nan 0.000 0.490 705 I N 0.743 121.320 120.570 0.011 0.000 2.480 705 I HA -0.109 4.062 4.170 0.001 0.000 0.251 705 I C 2.205 178.335 176.117 0.022 0.000 1.124 705 I CA 0.575 61.889 61.300 0.024 0.000 1.444 705 I CB -0.393 37.635 38.000 0.046 0.000 1.098 705 I HN 0.062 nan 8.210 nan 0.000 0.428 706 I N 1.101 121.683 120.570 0.019 0.000 2.118 706 I HA -0.254 3.916 4.170 0.001 0.000 0.241 706 I C -0.326 175.783 176.117 -0.014 0.000 1.070 706 I CA 1.840 63.152 61.300 0.020 0.000 1.327 706 I CB -1.777 36.234 38.000 0.017 0.000 1.034 706 I HN 0.180 nan 8.210 nan 0.000 0.405 707 P HA -0.094 nan 4.420 nan 0.000 0.217 707 P C 1.616 178.881 177.300 -0.060 0.000 1.150 707 P CA 1.462 64.523 63.100 -0.065 0.000 0.832 707 P CB -0.152 31.513 31.700 -0.058 0.000 0.787 708 T N -0.247 114.283 114.554 -0.039 0.000 2.652 708 T HA -0.209 4.142 4.350 0.001 0.000 0.267 708 T C 1.757 176.433 174.700 -0.040 0.000 1.039 708 T CA 1.804 63.879 62.100 -0.042 0.000 1.153 708 T CB -0.805 68.042 68.868 -0.035 0.000 0.863 708 T HN 0.053 nan 8.240 nan 0.000 0.428 709 M N 1.270 120.862 119.600 -0.013 0.000 2.117 709 M HA 0.000 4.481 4.480 0.001 0.000 0.262 709 M C 2.168 178.465 176.300 -0.005 0.000 1.065 709 M CA 1.506 56.814 55.300 0.014 0.000 1.114 709 M CB -0.445 32.195 32.600 0.067 0.000 1.361 709 M HN 0.001 nan 8.290 nan 0.000 0.408 710 R N -0.505 119.955 120.500 -0.067 0.000 2.070 710 R HA -0.130 4.210 4.340 0.001 0.000 0.233 710 R C 2.368 178.449 176.300 -0.365 0.000 1.137 710 R CA 1.917 57.889 56.100 -0.214 0.000 0.945 710 R CB -0.204 29.925 30.300 -0.284 0.000 0.845 710 R HN 0.389 nan 8.270 nan 0.000 0.430 711 R N -0.230 120.128 120.500 -0.236 0.000 2.073 711 R HA -0.088 4.252 4.340 0.001 0.000 0.234 711 R C 2.312 178.630 176.300 0.029 0.000 1.134 711 R CA 1.570 57.612 56.100 -0.097 0.000 0.952 711 R CB -0.357 29.976 30.300 0.055 0.000 0.850 711 R HN 0.267 nan 8.270 nan 0.000 0.433 712 A N 0.075 122.898 122.820 0.006 0.000 1.933 712 A HA -0.159 4.162 4.320 0.001 0.000 0.218 712 A C 2.101 179.742 177.584 0.095 0.000 1.175 712 A CA 1.945 53.999 52.037 0.029 0.000 0.628 712 A CB -0.724 18.254 19.000 -0.037 0.000 0.814 712 A HN 0.303 nan 8.150 nan 0.000 0.444 713 T N -1.154 113.459 114.554 0.097 0.000 2.737 713 T HA -0.123 4.227 4.350 0.001 0.000 0.265 713 T C 1.771 176.643 174.700 0.286 0.000 1.038 713 T CA 1.556 63.771 62.100 0.193 0.000 1.144 713 T CB -0.413 68.586 68.868 0.218 0.000 0.866 713 T HN 0.489 nan 8.240 nan 0.000 0.434 714 Y N 1.692 121.946 120.300 -0.076 0.000 2.128 714 Y HA -0.030 4.520 4.550 0.001 0.000 0.284 714 Y C 2.802 178.720 175.900 0.030 0.000 1.154 714 Y CA 0.210 58.173 58.100 -0.228 0.000 1.149 714 Y CB -1.385 36.572 38.460 -0.838 0.000 0.976 714 Y HN 0.205 nan 8.280 nan 0.000 0.505 715 A N -0.080 122.938 122.820 0.330 0.000 1.908 715 A HA -0.138 4.183 4.320 0.001 0.000 0.218 715 A C 2.676 180.448 177.584 0.313 0.000 1.181 715 A CA 1.943 54.249 52.037 0.448 0.000 0.627 715 A CB -1.446 17.848 19.000 0.490 0.000 0.818 715 A HN 0.466 nan 8.150 nan 0.000 0.445 716 G N -1.532 107.405 108.800 0.228 0.000 2.422 716 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 716 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 716 G C 1.475 176.458 174.900 0.137 0.000 1.146 716 G CA 1.068 46.252 45.100 0.141 0.000 0.769 716 G HN 0.498 nan 8.290 nan 0.000 0.547 717 F N 1.141 121.126 119.950 0.058 0.000 2.075 717 F HA 0.024 4.551 4.527 0.001 0.000 0.297 717 F C 2.412 178.223 175.800 0.019 0.000 1.113 717 F CA 1.269 59.281 58.000 0.020 0.000 1.218 717 F CB -0.114 38.874 39.000 -0.021 0.000 0.984 717 F HN 0.016 nan 8.300 nan 0.000 0.472 718 L N 0.002 121.430 121.223 0.341 0.000 2.362 718 L HA -0.170 4.170 4.340 0.001 0.000 0.219 718 L C 1.942 178.873 176.870 0.102 0.000 1.134 718 L CA 0.646 55.648 54.840 0.271 0.000 0.807 718 L CB -0.503 41.798 42.059 0.403 0.000 0.927 718 L HN 0.279 nan 8.230 nan 0.000 0.447 719 L N -0.634 120.587 121.223 -0.003 0.000 2.567 719 L HA 0.122 4.462 4.340 0.001 0.000 0.225 719 L C 1.767 178.539 176.870 -0.162 0.000 1.119 719 L CA -0.052 54.679 54.840 -0.182 0.000 0.871 719 L CB -0.032 41.843 42.059 -0.308 0.000 1.036 719 L HN 0.127 nan 8.230 nan 0.000 0.459 720 A N -0.819 121.901 122.820 -0.167 0.000 2.577 720 A HA 0.141 4.461 4.320 0.001 0.000 0.280 720 A C 0.085 177.541 177.584 -0.213 0.000 1.331 720 A CA -0.223 51.698 52.037 -0.194 0.000 0.935 720 A CB -0.232 18.637 19.000 -0.218 0.000 1.082 720 A HN 0.333 nan 8.150 nan 0.000 0.525 721 D N -0.391 119.911 120.400 -0.163 0.000 3.133 721 D HA -0.091 4.549 4.640 0.001 0.000 0.239 721 D C -2.775 173.422 176.300 -0.172 0.000 1.136 721 D CA 0.326 54.251 54.000 -0.125 0.000 0.898 721 D CB -0.692 40.051 40.800 -0.096 0.000 0.959 721 D HN 0.295 nan 8.370 nan 0.000 0.415 722 P HA 0.334 nan 4.420 nan 0.000 0.271 722 P C -0.387 176.884 177.300 -0.048 0.000 1.216 722 P CA -0.017 62.959 63.100 -0.207 0.000 0.776 722 P CB 0.771 32.463 31.700 -0.013 0.000 0.881 723 K N 1.710 122.101 120.400 -0.015 0.000 2.480 723 K HA 0.669 4.990 4.320 0.001 0.000 0.258 723 K C -0.552 176.121 176.600 0.122 0.000 0.990 723 K CA -0.826 55.490 56.287 0.049 0.000 0.857 723 K CB 1.533 34.048 32.500 0.026 0.000 1.384 723 K HN 0.457 nan 8.250 nan 0.000 0.446 724 I N -1.945 118.706 120.570 0.135 0.000 2.693 724 I HA 0.540 4.710 4.170 0.001 0.000 0.303 724 I C -0.971 175.276 176.117 0.216 0.000 1.025 724 I CA -0.764 60.656 61.300 0.199 0.000 1.086 724 I CB 2.073 40.207 38.000 0.223 0.000 1.268 724 I HN 0.365 nan 8.210 nan 0.000 0.440 725 Q N 3.648 123.611 119.800 0.272 0.000 2.342 725 Q HA 0.413 4.753 4.340 0.001 0.000 0.267 725 Q C -1.253 175.101 176.000 0.590 0.000 1.038 725 Q CA -0.788 55.222 55.803 0.346 0.000 0.832 725 Q CB 2.717 31.601 28.738 0.244 0.000 1.323 725 Q HN 0.753 nan 8.270 nan 0.000 0.448 726 E N 1.787 122.303 120.200 0.526 0.000 2.195 726 E HA 0.562 4.912 4.350 0.001 0.000 0.271 726 E C -2.654 174.028 176.600 0.137 0.000 0.923 726 E CA -2.381 54.242 56.400 0.371 0.000 0.790 726 E CB 1.650 31.531 29.700 0.301 0.000 1.155 726 E HN 0.167 nan 8.360 nan 0.000 0.402 727 P HA 0.125 nan 4.420 nan 0.000 0.278 727 P C -0.723 176.213 177.300 -0.607 0.000 1.238 727 P CA -0.474 62.228 63.100 -0.663 0.000 0.794 727 P CB 1.157 32.379 31.700 -0.797 0.000 0.955 728 V N 3.105 122.531 119.914 -0.813 0.000 2.733 728 V HA 0.300 4.421 4.120 0.001 0.000 0.306 728 V C -0.162 175.469 176.094 -0.773 0.000 1.084 728 V CA -0.460 61.372 62.300 -0.780 0.000 0.905 728 V CB 1.439 32.787 31.823 -0.792 0.000 1.010 728 V HN 0.329 nan 8.190 nan 0.000 0.424 729 F N 3.467 123.229 119.950 -0.314 0.000 2.378 729 F HA 0.494 5.021 4.527 0.001 0.000 0.319 729 F C 0.398 176.132 175.800 -0.110 0.000 1.155 729 F CA -0.785 57.072 58.000 -0.239 0.000 1.157 729 F CB 0.735 39.598 39.000 -0.228 0.000 1.252 729 F HN 0.235 nan 8.300 nan 0.000 0.550 730 L N 2.922 124.238 121.223 0.155 0.000 2.356 730 L HA 0.431 4.771 4.340 0.001 0.000 0.264 730 L C -1.069 175.788 176.870 -0.022 0.000 1.029 730 L CA -0.640 54.270 54.840 0.116 0.000 0.897 730 L CB 0.872 43.003 42.059 0.119 0.000 1.256 730 L HN 0.396 nan 8.230 nan 0.000 0.444 731 V N 5.678 125.545 119.914 -0.077 0.000 2.353 731 V HA 0.270 4.390 4.120 0.001 0.000 0.264 731 V C 0.035 176.066 176.094 -0.105 0.000 1.049 731 V CA -0.228 61.992 62.300 -0.133 0.000 0.896 731 V CB 1.439 33.138 31.823 -0.208 0.000 1.025 731 V HN 0.819 nan 8.190 nan 0.000 0.475 732 E N 6.651 126.797 120.200 -0.091 0.000 2.216 732 E HA 0.581 4.931 4.350 0.001 0.000 0.279 732 E C -1.152 175.426 176.600 -0.037 0.000 0.997 732 E CA -0.669 55.698 56.400 -0.056 0.000 0.817 732 E CB 1.415 31.095 29.700 -0.034 0.000 1.096 732 E HN 0.771 nan 8.360 nan 0.000 0.393 733 I N 3.432 123.999 120.570 -0.005 0.000 2.569 733 I HA 0.184 4.354 4.170 0.001 0.000 0.290 733 I C -0.930 175.235 176.117 0.079 0.000 1.088 733 I CA -0.975 60.338 61.300 0.022 0.000 1.047 733 I CB 2.117 40.111 38.000 -0.011 0.000 1.237 733 I HN 0.456 nan 8.210 nan 0.000 0.421 734 Q N 4.467 124.357 119.800 0.151 0.000 2.271 734 Q HA 0.638 4.979 4.340 0.001 0.000 0.258 734 Q C -1.016 175.056 176.000 0.120 0.000 0.936 734 Q CA -0.156 55.733 55.803 0.143 0.000 0.909 734 Q CB 2.072 30.898 28.738 0.147 0.000 1.253 734 Q HN 0.681 nan 8.270 nan 0.000 0.440 735 C N 4.172 123.538 119.300 0.110 0.000 3.181 735 C HA 0.578 5.039 4.460 0.001 0.000 0.362 735 C C -2.777 172.256 174.990 0.071 0.000 1.125 735 C CA -1.745 57.315 59.018 0.070 0.000 1.265 735 C CB 1.367 29.120 27.740 0.022 0.000 1.632 735 C HN 0.624 nan 8.230 nan 0.000 0.525 736 P HA 0.094 nan 4.420 nan 0.000 0.266 736 P C 0.501 177.728 177.300 -0.121 0.000 1.193 736 P CA 0.640 63.755 63.100 0.026 0.000 0.770 736 P CB 0.434 32.161 31.700 0.045 0.000 0.836 737 E N 2.250 122.311 120.200 -0.232 0.000 2.267 737 E HA -0.283 4.067 4.350 0.001 0.000 0.197 737 E C 1.556 177.957 176.600 -0.332 0.000 0.998 737 E CA 1.010 57.046 56.400 -0.607 0.000 0.830 737 E CB 0.047 29.421 29.700 -0.543 0.000 0.751 737 E HN 0.524 nan 8.360 nan 0.000 0.491 738 Q N -0.798 118.906 119.800 -0.160 0.000 2.230 738 Q HA -0.025 4.315 4.340 0.001 0.000 0.202 738 Q C 1.432 177.384 176.000 -0.079 0.000 0.963 738 Q CA 1.258 57.005 55.803 -0.094 0.000 0.866 738 Q CB 0.108 28.819 28.738 -0.046 0.000 0.931 738 Q HN 0.180 nan 8.270 nan 0.000 0.452 739 A N 0.384 123.153 122.820 -0.085 0.000 2.538 739 A HA 0.339 4.659 4.320 0.001 0.000 0.269 739 A C 1.513 179.051 177.584 -0.076 0.000 1.231 739 A CA -0.309 51.692 52.037 -0.059 0.000 0.948 739 A CB 0.513 19.493 19.000 -0.035 0.000 1.110 739 A HN 0.172 nan 8.150 nan 0.000 0.529 740 V N -0.203 119.640 119.914 -0.120 0.000 2.913 740 V HA -0.130 3.990 4.120 0.001 0.000 0.260 740 V C 2.611 178.700 176.094 -0.009 0.000 1.098 740 V CA 1.947 64.184 62.300 -0.105 0.000 1.121 740 V CB -0.783 30.932 31.823 -0.180 0.000 0.714 740 V HN 0.592 nan 8.190 nan 0.000 0.487 741 G N 0.679 109.496 108.800 0.030 0.000 2.402 741 G HA2 -0.139 3.822 3.960 0.001 0.000 0.216 741 G HA3 -0.139 3.822 3.960 0.001 0.000 0.216 741 G C 1.627 176.566 174.900 0.066 0.000 1.162 741 G CA 0.772 45.938 45.100 0.109 0.000 0.777 741 G HN 0.566 nan 8.290 nan 0.000 0.539 742 G N 0.828 109.624 108.800 -0.007 0.000 2.479 742 G HA2 -0.140 3.820 3.960 0.001 0.000 0.220 742 G HA3 -0.140 3.820 3.960 0.001 0.000 0.220 742 G C 1.590 176.448 174.900 -0.070 0.000 1.115 742 G CA 0.725 45.805 45.100 -0.033 0.000 0.757 742 G HN 0.328 nan 8.290 nan 0.000 0.560 743 I N 0.178 120.666 120.570 -0.137 0.000 2.133 743 I HA -0.098 4.073 4.170 0.001 0.000 0.238 743 I C 2.329 178.321 176.117 -0.208 0.000 1.074 743 I CA 0.963 62.113 61.300 -0.249 0.000 1.342 743 I CB -1.407 36.305 38.000 -0.480 0.000 1.053 743 I HN 0.215 nan 8.210 nan 0.000 0.404 744 Y N 0.418 120.737 120.300 0.032 0.000 2.639 744 Y HA -0.052 4.499 4.550 0.001 0.000 0.297 744 Y C 2.821 178.742 175.900 0.034 0.000 1.151 744 Y CA 0.878 59.001 58.100 0.039 0.000 1.335 744 Y CB -0.740 37.740 38.460 0.033 0.000 0.994 744 Y HN 0.108 nan 8.280 nan 0.000 0.548 745 S N -0.788 114.985 115.700 0.122 0.000 2.436 745 S HA -0.053 4.418 4.470 0.001 0.000 0.228 745 S C 1.778 176.410 174.600 0.054 0.000 1.014 745 S CA 0.996 59.242 58.200 0.077 0.000 0.950 745 S CB -0.232 62.992 63.200 0.041 0.000 0.784 745 S HN 0.207 nan 8.310 nan 0.000 0.504 746 V N 1.408 121.343 119.914 0.035 0.000 3.263 746 V HA 0.202 4.322 4.120 0.001 0.000 0.248 746 V C 2.120 178.289 176.094 0.124 0.000 1.145 746 V CA 0.462 62.783 62.300 0.035 0.000 1.107 746 V CB -0.370 31.407 31.823 -0.076 0.000 0.797 746 V HN 0.376 nan 8.190 nan 0.000 0.467 747 L N 0.560 121.868 121.223 0.142 0.000 2.017 747 L HA -0.128 4.212 4.340 0.001 0.000 0.208 747 L C 1.992 178.950 176.870 0.147 0.000 1.073 747 L CA 1.428 56.372 54.840 0.173 0.000 0.745 747 L CB -0.583 41.566 42.059 0.151 0.000 0.894 747 L HN 0.380 nan 8.230 nan 0.000 0.432 748 N N 0.351 119.132 118.700 0.134 0.000 2.575 748 N HA -0.074 4.667 4.740 0.001 0.000 0.192 748 N C 0.860 176.427 175.510 0.095 0.000 1.200 748 N CA 0.765 53.882 53.050 0.111 0.000 0.897 748 N CB 0.068 38.617 38.487 0.103 0.000 0.990 748 N HN 0.406 nan 8.380 nan 0.000 0.449 749 K N -0.386 120.076 120.400 0.103 0.000 2.413 749 K HA 0.232 4.552 4.320 0.001 0.000 0.204 749 K C 0.369 177.037 176.600 0.113 0.000 1.041 749 K CA 0.028 56.370 56.287 0.093 0.000 1.082 749 K CB 0.909 33.455 32.500 0.077 0.000 0.871 749 K HN -0.139 nan 8.250 nan 0.000 0.535 750 K N 0.532 121.012 120.400 0.133 0.000 2.589 750 K HA 0.214 4.534 4.320 0.001 0.000 0.198 750 K C -0.389 176.281 176.600 0.117 0.000 1.114 750 K CA -0.113 56.263 56.287 0.147 0.000 1.070 750 K CB 0.951 33.582 32.500 0.218 0.000 0.860 750 K HN 0.053 nan 8.250 nan 0.000 0.536 751 R N 0.198 120.761 120.500 0.105 0.000 3.641 751 R HA -0.139 4.202 4.340 0.001 0.000 0.286 751 R C 0.447 176.805 176.300 0.096 0.000 1.153 751 R CA 0.787 56.944 56.100 0.094 0.000 0.775 751 R CB -2.099 28.252 30.300 0.086 0.000 1.215 751 R HN 0.308 nan 8.270 nan 0.000 0.474 752 G N 0.775 109.639 108.800 0.107 0.000 2.432 752 G HA2 0.246 4.206 3.960 0.001 0.000 0.257 752 G HA3 0.246 4.206 3.960 0.001 0.000 0.257 752 G C -0.409 174.563 174.900 0.121 0.000 1.238 752 G CA -0.335 44.828 45.100 0.104 0.000 0.838 752 G HN 0.185 nan 8.290 nan 0.000 0.547 753 Q N 2.026 121.907 119.800 0.135 0.000 2.357 753 Q HA 0.376 4.716 4.340 0.001 0.000 0.266 753 Q C -0.711 175.337 176.000 0.079 0.000 1.021 753 Q CA -0.666 55.221 55.803 0.141 0.000 0.784 753 Q CB 1.647 30.512 28.738 0.211 0.000 1.243 753 Q HN 0.323 nan 8.270 nan 0.000 0.465 754 V N 5.343 125.314 119.914 0.095 0.000 2.450 754 V HA -0.037 4.084 4.120 0.001 0.000 0.281 754 V C 1.155 177.251 176.094 0.004 0.000 1.019 754 V CA 0.182 62.529 62.300 0.078 0.000 1.062 754 V CB 0.734 32.691 31.823 0.223 0.000 0.979 754 V HN 0.770 nan 8.190 nan 0.000 0.477 755 V N 3.763 123.609 119.914 -0.113 0.000 2.283 755 V HA 0.064 4.184 4.120 0.001 0.000 0.239 755 V C 0.857 176.916 176.094 -0.058 0.000 1.035 755 V CA 1.498 63.707 62.300 -0.152 0.000 1.018 755 V CB 0.198 31.799 31.823 -0.369 0.000 0.658 755 V HN 0.980 nan 8.190 nan 0.000 0.459 756 S N -0.409 115.262 115.700 -0.047 0.000 2.592 756 S HA 0.431 4.901 4.470 0.001 0.000 0.275 756 S C -1.094 173.514 174.600 0.013 0.000 1.169 756 S CA -0.657 57.535 58.200 -0.013 0.000 0.958 756 S CB 1.965 65.147 63.200 -0.030 0.000 1.095 756 S HN 0.466 nan 8.310 nan 0.000 0.471 757 E N 2.260 122.487 120.200 0.046 0.000 2.134 757 E HA 0.432 4.783 4.350 0.001 0.000 0.278 757 E C -0.709 175.872 176.600 -0.033 0.000 0.959 757 E CA -0.299 56.144 56.400 0.072 0.000 0.783 757 E CB 0.921 30.743 29.700 0.204 0.000 1.095 757 E HN 0.755 nan 8.360 nan 0.000 0.399 758 E N 2.868 123.011 120.200 -0.095 0.000 2.393 758 E HA 0.291 4.642 4.350 0.001 0.000 0.265 758 E C -1.032 175.340 176.600 -0.380 0.000 0.941 758 E CA -0.917 55.366 56.400 -0.195 0.000 0.801 758 E CB 2.377 32.009 29.700 -0.113 0.000 1.313 758 E HN 0.439 nan 8.360 nan 0.000 0.435 759 Q N 0.893 120.453 119.800 -0.399 0.000 2.423 759 Q HA 0.371 4.711 4.340 0.001 0.000 0.278 759 Q C -1.212 174.679 176.000 -0.182 0.000 1.097 759 Q CA -0.825 54.701 55.803 -0.461 0.000 0.809 759 Q CB 2.275 30.606 28.738 -0.678 0.000 1.391 759 Q HN 0.364 nan 8.270 nan 0.000 0.428 760 R N 2.839 123.290 120.500 -0.082 0.000 2.389 760 R HA 0.173 4.514 4.340 0.001 0.000 0.295 760 R C -1.776 174.512 176.300 -0.020 0.000 1.075 760 R CA -1.295 54.790 56.100 -0.025 0.000 1.005 760 R CB 0.581 30.893 30.300 0.021 0.000 0.987 760 R HN 0.483 nan 8.270 nan 0.000 0.452 761 P HA -0.198 nan 4.420 nan 0.000 0.217 761 P C 0.597 177.898 177.300 0.002 0.000 1.158 761 P CA 1.771 64.863 63.100 -0.014 0.000 0.887 761 P CB 0.223 31.917 31.700 -0.011 0.000 0.792 762 G N -1.655 107.152 108.800 0.011 0.000 2.726 762 G HA2 0.018 3.978 3.960 0.001 0.000 0.221 762 G HA3 0.018 3.978 3.960 0.001 0.000 0.221 762 G C 0.169 175.090 174.900 0.034 0.000 1.327 762 G CA 0.732 45.844 45.100 0.019 0.000 0.884 762 G HN 0.367 nan 8.290 nan 0.000 0.581 763 T N 0.305 114.885 114.554 0.042 0.000 2.926 763 T HA 0.354 4.704 4.350 0.001 0.000 0.307 763 T C -2.198 172.561 174.700 0.098 0.000 1.059 763 T CA -1.088 61.049 62.100 0.062 0.000 1.122 763 T CB 1.467 70.374 68.868 0.066 0.000 0.972 763 T HN -0.040 nan 8.240 nan 0.000 0.545 764 P HA 0.187 nan 4.420 nan 0.000 0.271 764 P C -0.350 177.116 177.300 0.276 0.000 1.535 764 P CA -0.274 62.949 63.100 0.204 0.000 0.820 764 P CB -0.431 31.350 31.700 0.135 0.000 1.606 765 L N 0.195 121.553 121.223 0.225 0.000 2.334 765 L HA 0.335 4.676 4.340 0.001 0.000 0.286 765 L C -0.119 176.924 176.870 0.288 0.000 1.108 765 L CA -0.577 54.396 54.840 0.222 0.000 0.875 765 L CB -1.149 40.990 42.059 0.132 0.000 1.246 765 L HN -0.097 nan 8.230 nan 0.000 0.439 766 F N 2.507 122.479 119.950 0.037 0.000 2.472 766 F HA 0.275 4.802 4.527 0.001 0.000 0.312 766 F C 1.171 176.988 175.800 0.028 0.000 1.256 766 F CA 0.089 58.110 58.000 0.035 0.000 1.275 766 F CB 0.961 39.987 39.000 0.044 0.000 1.228 766 F HN 0.397 nan 8.300 nan 0.000 0.567 767 T N 1.417 116.064 114.554 0.155 0.000 3.233 767 T HA 0.336 4.686 4.350 0.001 0.000 0.324 767 T C -1.378 173.358 174.700 0.060 0.000 0.992 767 T CA -0.509 61.642 62.100 0.085 0.000 1.414 767 T CB -0.344 68.544 68.868 0.033 0.000 0.935 767 T HN 0.260 nan 8.240 nan 0.000 0.544 768 V N 5.415 125.374 119.914 0.074 0.000 2.461 768 V HA 0.461 4.582 4.120 0.001 0.000 0.275 768 V C 0.408 176.491 176.094 -0.018 0.000 1.047 768 V CA -0.377 61.947 62.300 0.040 0.000 0.955 768 V CB 1.060 32.878 31.823 -0.009 0.000 0.988 768 V HN 0.635 nan 8.190 nan 0.000 0.471 769 K N 3.475 123.852 120.400 -0.038 0.000 2.164 769 K HA 0.873 5.193 4.320 0.001 0.000 0.258 769 K C -0.404 176.105 176.600 -0.152 0.000 0.951 769 K CA -0.396 55.831 56.287 -0.100 0.000 0.844 769 K CB 2.161 34.590 32.500 -0.119 0.000 1.099 769 K HN 0.831 nan 8.250 nan 0.000 0.435 770 A N 2.033 124.729 122.820 -0.207 0.000 2.612 770 A HA 0.554 4.875 4.320 0.001 0.000 0.293 770 A C -1.945 175.484 177.584 -0.259 0.000 1.075 770 A CA -0.789 51.109 52.037 -0.233 0.000 0.680 770 A CB 0.658 19.615 19.000 -0.072 0.000 1.279 770 A HN 0.531 nan 8.150 nan 0.000 0.411 771 Y N -0.283 120.020 120.300 0.005 0.000 2.352 771 Y HA 0.665 5.215 4.550 0.001 0.000 0.326 771 Y C -0.074 175.792 175.900 -0.056 0.000 1.166 771 Y CA -0.884 57.203 58.100 -0.021 0.000 1.182 771 Y CB 1.678 40.161 38.460 0.038 0.000 1.216 771 Y HN 0.566 nan 8.280 nan 0.000 0.474 772 L N 5.575 126.843 121.223 0.076 0.000 2.491 772 L HA 0.604 4.944 4.340 0.001 0.000 0.267 772 L C -2.958 173.872 176.870 -0.065 0.000 0.971 772 L CA -2.421 52.401 54.840 -0.029 0.000 0.857 772 L CB 1.735 43.676 42.059 -0.196 0.000 1.226 772 L HN 0.283 nan 8.230 nan 0.000 0.408 773 P HA 0.018 nan 4.420 nan 0.000 0.262 773 P C 0.994 178.215 177.300 -0.132 0.000 1.182 773 P CA 0.041 63.070 63.100 -0.119 0.000 0.761 773 P CB 0.733 32.423 31.700 -0.016 0.000 0.795 774 V N 2.901 122.635 119.914 -0.300 0.000 2.407 774 V HA -0.228 3.892 4.120 0.001 0.000 0.248 774 V C 1.862 177.907 176.094 -0.082 0.000 1.055 774 V CA 2.177 64.299 62.300 -0.298 0.000 1.049 774 V CB -1.174 30.323 31.823 -0.544 0.000 0.662 774 V HN 0.683 nan 8.190 nan 0.000 0.455 775 N N 0.273 118.996 118.700 0.038 0.000 2.485 775 N HA -0.106 4.634 4.740 0.001 0.000 0.199 775 N C 0.806 176.491 175.510 0.291 0.000 1.236 775 N CA 0.607 53.822 53.050 0.274 0.000 0.852 775 N CB -0.037 38.604 38.487 0.258 0.000 1.018 775 N HN 0.523 nan 8.380 nan 0.000 0.457 776 E N -0.572 119.736 120.200 0.180 0.000 2.759 776 E HA 0.070 4.420 4.350 0.001 0.000 0.220 776 E C 0.165 176.860 176.600 0.157 0.000 0.974 776 E CA 0.136 56.646 56.400 0.183 0.000 1.148 776 E CB 0.582 30.355 29.700 0.122 0.000 1.059 776 E HN 0.467 nan 8.360 nan 0.000 0.493 777 S N -0.610 115.129 115.700 0.065 0.000 2.539 777 S HA 0.211 4.681 4.470 0.001 0.000 0.221 777 S C 0.490 175.083 174.600 -0.010 0.000 0.987 777 S CA -0.518 57.670 58.200 -0.019 0.000 0.929 777 S CB -0.433 62.716 63.200 -0.084 0.000 0.832 777 S HN -0.030 nan 8.310 nan 0.000 0.492 778 F N 3.300 123.324 119.950 0.123 0.000 2.519 778 F HA 0.470 4.997 4.527 0.001 0.000 0.375 778 F C 1.698 177.556 175.800 0.096 0.000 1.084 778 F CA 0.818 58.875 58.000 0.094 0.000 1.147 778 F CB -0.110 38.935 39.000 0.075 0.000 1.088 778 F HN 0.357 nan 8.300 nan 0.000 0.555 779 G N 3.305 112.229 108.800 0.207 0.000 2.198 779 G HA2 -0.393 3.567 3.960 0.001 0.000 0.260 779 G HA3 -0.393 3.567 3.960 0.001 0.000 0.260 779 G C 0.826 175.795 174.900 0.115 0.000 1.025 779 G CA 0.370 45.548 45.100 0.131 0.000 0.769 779 G HN 0.679 nan 8.290 nan 0.000 0.507 780 F N 1.227 121.169 119.950 -0.012 0.000 2.075 780 F HA -0.071 4.457 4.527 0.001 0.000 0.297 780 F C 2.605 178.374 175.800 -0.051 0.000 1.113 780 F CA 2.773 60.754 58.000 -0.032 0.000 1.218 780 F CB -0.499 38.461 39.000 -0.067 0.000 0.984 780 F HN 0.158 nan 8.300 nan 0.000 0.472 781 T N -0.007 114.504 114.554 -0.072 0.000 2.720 781 T HA -0.145 4.205 4.350 0.001 0.000 0.268 781 T C 2.122 176.712 174.700 -0.183 0.000 1.037 781 T CA 1.418 63.410 62.100 -0.180 0.000 1.144 781 T CB -1.243 67.583 68.868 -0.069 0.000 0.864 781 T HN 0.490 nan 8.240 nan 0.000 0.444 782 G N 1.058 109.796 108.800 -0.104 0.000 2.462 782 G HA2 -0.195 3.765 3.960 0.001 0.000 0.220 782 G HA3 -0.195 3.765 3.960 0.001 0.000 0.220 782 G C 1.398 176.236 174.900 -0.104 0.000 1.121 782 G CA 0.652 45.708 45.100 -0.074 0.000 0.758 782 G HN 0.547 nan 8.290 nan 0.000 0.559 783 E N -0.891 119.207 120.200 -0.170 0.000 2.276 783 E HA 0.123 4.473 4.350 0.001 0.000 0.193 783 E C 2.085 178.538 176.600 -0.244 0.000 0.983 783 E CA -0.175 56.120 56.400 -0.175 0.000 0.861 783 E CB 0.087 29.694 29.700 -0.156 0.000 0.817 783 E HN 0.332 nan 8.360 nan 0.000 0.485 784 L N 0.993 121.985 121.223 -0.385 0.000 2.341 784 L HA 0.059 4.400 4.340 0.001 0.000 0.214 784 L C 2.129 178.876 176.870 -0.206 0.000 1.115 784 L CA 1.149 55.768 54.840 -0.368 0.000 0.820 784 L CB 0.020 41.734 42.059 -0.576 0.000 0.944 784 L HN -0.146 nan 8.230 nan 0.000 0.452 785 R N -0.062 120.340 120.500 -0.164 0.000 2.148 785 R HA -0.030 4.311 4.340 0.001 0.000 0.223 785 R C 1.333 177.592 176.300 -0.069 0.000 1.088 785 R CA 1.412 57.455 56.100 -0.094 0.000 0.985 785 R CB -0.114 30.145 30.300 -0.068 0.000 0.880 785 R HN 0.548 nan 8.270 nan 0.000 0.451 786 Q N -1.640 118.114 119.800 -0.077 0.000 2.175 786 Q HA 0.382 4.722 4.340 0.001 0.000 0.225 786 Q C 0.257 176.224 176.000 -0.054 0.000 0.837 786 Q CA 0.311 56.082 55.803 -0.052 0.000 1.032 786 Q CB 1.602 30.315 28.738 -0.042 0.000 1.137 786 Q HN 0.314 nan 8.270 nan 0.000 0.483 787 A N 0.039 122.816 122.820 -0.072 0.000 2.226 787 A HA 0.044 4.364 4.320 0.001 0.000 0.207 787 A C 1.725 179.277 177.584 -0.054 0.000 1.293 787 A CA 0.715 52.713 52.037 -0.064 0.000 0.968 787 A CB 0.333 19.280 19.000 -0.088 0.000 1.044 787 A HN 0.275 nan 8.150 nan 0.000 0.493 788 T N -5.422 109.096 114.554 -0.060 0.000 3.044 788 T HA 0.447 4.797 4.350 0.001 0.000 0.260 788 T C 1.385 176.068 174.700 -0.028 0.000 1.019 788 T CA 1.083 63.154 62.100 -0.047 0.000 0.921 788 T CB 0.588 69.422 68.868 -0.057 0.000 1.053 788 T HN 1.647 nan 8.240 nan 0.000 0.533 789 G N 0.847 109.632 108.800 -0.026 0.000 2.217 789 G HA2 0.098 4.058 3.960 0.001 0.000 0.246 789 G HA3 0.098 4.058 3.960 0.001 0.000 0.246 789 G C 1.111 176.007 174.900 -0.007 0.000 0.990 789 G CA 0.347 45.440 45.100 -0.011 0.000 0.627 789 G HN 1.807 nan 8.290 nan 0.000 0.522 790 G N -1.000 107.791 108.800 -0.015 0.000 2.168 790 G HA2 -0.193 3.768 3.960 0.001 0.000 0.197 790 G HA3 -0.193 3.768 3.960 0.001 0.000 0.197 790 G C 0.772 175.670 174.900 -0.002 0.000 0.997 790 G CA 1.119 46.213 45.100 -0.010 0.000 0.658 790 G HN 0.934 nan 8.290 nan 0.000 0.513 791 Q N -0.053 119.748 119.800 0.002 0.000 2.331 791 Q HA 0.474 4.814 4.340 0.001 0.000 0.203 791 Q C 1.608 177.615 176.000 0.012 0.000 0.944 791 Q CA 0.777 56.584 55.803 0.006 0.000 0.892 791 Q CB 0.304 29.062 28.738 0.034 0.000 0.983 791 Q HN 0.815 nan 8.270 nan 0.000 0.482 792 A N 1.004 123.830 122.820 0.010 0.000 2.363 792 A HA 0.313 4.633 4.320 0.001 0.000 0.270 792 A C -0.935 176.696 177.584 0.079 0.000 1.121 792 A CA -0.258 51.796 52.037 0.028 0.000 0.800 792 A CB 0.032 19.018 19.000 -0.024 0.000 1.052 792 A HN 0.298 nan 8.150 nan 0.000 0.493 793 F N 5.371 125.296 119.950 -0.042 0.000 2.308 793 F HA 0.535 5.062 4.527 0.001 0.000 0.370 793 F C -2.480 173.310 175.800 -0.016 0.000 1.100 793 F CA -2.690 55.289 58.000 -0.035 0.000 1.108 793 F CB 1.247 40.222 39.000 -0.040 0.000 1.293 793 F HN 0.311 nan 8.300 nan 0.000 0.478 794 P HA 0.157 nan 4.420 nan 0.000 0.271 794 P C -1.614 175.265 177.300 -0.703 0.000 1.233 794 P CA -0.114 62.737 63.100 -0.415 0.000 0.789 794 P CB 0.594 32.161 31.700 -0.221 0.000 0.951 795 Q N 1.281 120.853 119.800 -0.380 0.000 2.887 795 Q HA 0.403 4.743 4.340 0.001 0.000 0.211 795 Q C -1.965 173.899 176.000 -0.226 0.000 0.879 795 Q CA -0.365 55.244 55.803 -0.324 0.000 1.210 795 Q CB 0.288 28.879 28.738 -0.244 0.000 1.663 795 Q HN 0.511 nan 8.270 nan 0.000 0.582 796 M N 1.696 121.137 119.600 -0.264 0.000 2.470 796 M HA 0.880 5.360 4.480 0.001 0.000 0.285 796 M C -1.893 174.244 176.300 -0.272 0.000 1.213 796 M CA -1.007 54.133 55.300 -0.266 0.000 0.901 796 M CB 2.512 34.886 32.600 -0.377 0.000 1.718 796 M HN 0.262 nan 8.290 nan 0.000 0.469 797 V N 2.018 121.874 119.914 -0.096 0.000 3.114 797 V HA 0.606 4.727 4.120 0.001 0.000 0.308 797 V C -1.470 174.809 176.094 0.309 0.000 1.168 797 V CA -0.706 61.623 62.300 0.049 0.000 1.015 797 V CB 2.598 34.418 31.823 -0.005 0.000 1.050 797 V HN 0.851 nan 8.190 nan 0.000 0.433 798 F N 3.434 123.529 119.950 0.243 0.000 2.608 798 F HA 0.222 4.749 4.527 0.001 0.000 0.380 798 F C 0.702 176.456 175.800 -0.076 0.000 1.083 798 F CA 1.229 59.232 58.000 0.006 0.000 1.266 798 F CB 0.941 39.855 39.000 -0.144 0.000 1.076 798 F HN 0.814 nan 8.300 nan 0.000 0.574 799 D N 2.891 122.642 120.400 -1.081 0.000 3.161 799 D HA 0.075 4.716 4.640 0.001 0.000 0.287 799 D C -0.253 175.469 176.300 -0.964 0.000 1.343 799 D CA 0.875 54.441 54.000 -0.722 0.000 1.070 799 D CB 0.261 40.904 40.800 -0.262 0.000 1.188 799 D HN 0.671 nan 8.370 nan 0.000 0.409 800 H N -2.786 115.584 119.070 -1.166 0.000 2.966 800 H HA 0.330 4.886 4.556 0.001 0.000 0.330 800 H C -1.401 173.534 175.328 -0.655 0.000 1.292 800 H CA -1.068 54.539 56.048 -0.734 0.000 1.127 800 H CB -0.127 29.388 29.762 -0.413 0.000 1.863 800 H HN 0.080 nan 8.280 nan 0.000 0.543 801 W N 0.669 121.983 121.300 0.023 0.000 2.496 801 W HA 0.511 5.171 4.660 0.001 0.000 0.327 801 W C 0.188 176.794 176.519 0.145 0.000 1.086 801 W CA -0.733 56.652 57.345 0.067 0.000 1.222 801 W CB 1.950 31.485 29.460 0.125 0.000 1.304 801 W HN 0.494 nan 8.180 nan 0.000 0.547 802 S N 1.654 117.553 115.700 0.331 0.000 2.596 802 S HA 0.409 4.879 4.470 0.001 0.000 0.318 802 S C -0.465 174.267 174.600 0.222 0.000 1.097 802 S CA -0.576 57.768 58.200 0.240 0.000 1.080 802 S CB 0.435 63.729 63.200 0.156 0.000 0.991 802 S HN 0.328 nan 8.310 nan 0.000 0.471 803 T N 6.268 120.926 114.554 0.173 0.000 2.779 803 T HA 0.268 4.618 4.350 0.001 0.000 0.296 803 T C 0.218 174.987 174.700 0.115 0.000 0.938 803 T CA -0.169 62.016 62.100 0.141 0.000 1.119 803 T CB -0.039 68.888 68.868 0.097 0.000 0.891 803 T HN 0.534 nan 8.240 nan 0.000 0.526 804 L N 3.036 124.331 121.223 0.120 0.000 2.367 804 L HA 0.285 4.626 4.340 0.001 0.000 0.275 804 L C 1.789 178.695 176.870 0.060 0.000 1.129 804 L CA -0.417 54.477 54.840 0.090 0.000 0.839 804 L CB 0.419 42.532 42.059 0.089 0.000 1.133 804 L HN 0.853 nan 8.230 nan 0.000 0.453 805 G N 1.777 110.606 108.800 0.048 0.000 2.484 805 G HA2 -0.121 3.840 3.960 0.001 0.000 0.218 805 G HA3 -0.121 3.840 3.960 0.001 0.000 0.218 805 G C 0.827 175.741 174.900 0.024 0.000 1.130 805 G CA 0.242 45.361 45.100 0.033 0.000 0.784 805 G HN 0.670 nan 8.290 nan 0.000 0.543 806 S N 0.086 115.800 115.700 0.023 0.000 2.593 806 S HA 0.266 4.736 4.470 0.001 0.000 0.269 806 S C -0.472 174.133 174.600 0.009 0.000 1.334 806 S CA -0.622 57.586 58.200 0.013 0.000 1.015 806 S CB 1.736 64.941 63.200 0.008 0.000 0.912 806 S HN 0.065 nan 8.310 nan 0.000 0.541 807 D N 1.780 122.182 120.400 0.004 0.000 2.336 807 D HA 0.285 4.925 4.640 0.001 0.000 0.249 807 D C -1.298 175.000 176.300 -0.003 0.000 1.213 807 D CA -2.379 51.625 54.000 0.005 0.000 0.870 807 D CB 1.115 41.920 40.800 0.008 0.000 1.076 807 D HN 0.237 nan 8.370 nan 0.000 0.483 808 P HA -0.076 nan 4.420 nan 0.000 0.230 808 P C 1.349 178.639 177.300 -0.016 0.000 1.158 808 P CA 0.593 63.678 63.100 -0.025 0.000 0.769 808 P CB 0.350 32.057 31.700 0.012 0.000 0.807 809 L N -0.865 120.367 121.223 0.014 0.000 2.375 809 L HA 0.102 4.443 4.340 0.001 0.000 0.215 809 L C 1.074 177.948 176.870 0.007 0.000 1.108 809 L CA 0.378 55.233 54.840 0.024 0.000 0.830 809 L CB -0.539 41.550 42.059 0.051 0.000 0.959 809 L HN -0.064 nan 8.230 nan 0.000 0.457 810 D N 0.718 121.117 120.400 -0.002 0.000 2.365 810 D HA 0.114 4.755 4.640 0.001 0.000 0.237 810 D C -1.737 174.550 176.300 -0.022 0.000 1.190 810 D CA -2.288 51.708 54.000 -0.007 0.000 0.867 810 D CB 1.563 42.362 40.800 -0.002 0.000 1.050 810 D HN -0.142 nan 8.370 nan 0.000 0.491 811 P HA -0.145 nan 4.420 nan 0.000 0.218 811 P C 1.264 178.545 177.300 -0.031 0.000 1.148 811 P CA 1.520 64.600 63.100 -0.034 0.000 0.822 811 P CB 0.019 31.705 31.700 -0.024 0.000 0.784 812 T N -3.788 110.755 114.554 -0.019 0.000 3.055 812 T HA 0.002 4.353 4.350 0.001 0.000 0.265 812 T C 1.028 175.719 174.700 -0.014 0.000 1.111 812 T CA 0.334 62.425 62.100 -0.014 0.000 1.118 812 T CB -0.888 67.976 68.868 -0.008 0.000 0.909 812 T HN 0.180 nan 8.240 nan 0.000 0.501 813 S N 0.107 115.796 115.700 -0.018 0.000 2.624 813 S HA 0.321 4.792 4.470 0.001 0.000 0.263 813 S C 1.172 175.758 174.600 -0.024 0.000 1.287 813 S CA -0.770 57.420 58.200 -0.015 0.000 0.990 813 S CB 1.251 64.442 63.200 -0.014 0.000 0.950 813 S HN 0.341 nan 8.310 nan 0.000 0.561 814 K N 0.319 120.711 120.400 -0.014 0.000 2.057 814 K HA -0.070 4.250 4.320 0.001 0.000 0.207 814 K C 2.225 178.798 176.600 -0.044 0.000 1.049 814 K CA 1.288 57.567 56.287 -0.014 0.000 0.931 814 K CB -0.741 31.765 32.500 0.009 0.000 0.714 814 K HN 0.769 nan 8.250 nan 0.000 0.440 815 A N 0.312 123.101 122.820 -0.052 0.000 1.970 815 A HA 0.022 4.343 4.320 0.001 0.000 0.216 815 A C 2.243 179.731 177.584 -0.160 0.000 1.170 815 A CA 1.424 53.399 52.037 -0.104 0.000 0.645 815 A CB -0.708 18.256 19.000 -0.060 0.000 0.816 815 A HN 0.482 nan 8.150 nan 0.000 0.447 816 G N 0.956 109.692 108.800 -0.106 0.000 2.418 816 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 816 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 816 G C 1.421 176.242 174.900 -0.133 0.000 1.158 816 G CA 1.155 46.189 45.100 -0.109 0.000 0.771 816 G HN 0.796 nan 8.290 nan 0.000 0.545 817 E N 0.301 120.437 120.200 -0.107 0.000 2.150 817 E HA -0.063 4.287 4.350 0.001 0.000 0.193 817 E C 2.371 178.884 176.600 -0.145 0.000 0.985 817 E CA 0.765 57.108 56.400 -0.096 0.000 0.814 817 E CB -0.397 29.269 29.700 -0.057 0.000 0.752 817 E HN 0.503 nan 8.360 nan 0.000 0.466 818 I N 1.400 121.844 120.570 -0.210 0.000 2.179 818 I HA -0.235 3.935 4.170 0.001 0.000 0.242 818 I C 2.448 178.271 176.117 -0.490 0.000 1.088 818 I CA 0.856 61.964 61.300 -0.319 0.000 1.357 818 I CB -0.252 37.482 38.000 -0.444 0.000 1.051 818 I HN 0.048 nan 8.210 nan 0.000 0.409 819 V N 0.820 120.379 119.914 -0.591 0.000 2.295 819 V HA -0.268 3.853 4.120 0.001 0.000 0.246 819 V C 2.423 178.329 176.094 -0.313 0.000 1.049 819 V CA 1.593 63.466 62.300 -0.712 0.000 1.024 819 V CB -0.605 30.915 31.823 -0.504 0.000 0.648 819 V HN 0.345 nan 8.190 nan 0.000 0.447 820 L N 1.166 122.275 121.223 -0.190 0.000 1.989 820 L HA -0.150 4.190 4.340 0.001 0.000 0.211 820 L C 2.465 179.304 176.870 -0.052 0.000 1.071 820 L CA 2.589 57.377 54.840 -0.088 0.000 0.749 820 L CB -1.169 40.850 42.059 -0.066 0.000 0.890 820 L HN 0.232 nan 8.230 nan 0.000 0.431 821 A N -0.618 122.163 122.820 -0.065 0.000 1.902 821 A HA -0.099 4.221 4.320 0.001 0.000 0.217 821 A C 2.430 180.034 177.584 0.033 0.000 1.181 821 A CA 1.973 53.999 52.037 -0.018 0.000 0.623 821 A CB -1.207 17.779 19.000 -0.022 0.000 0.818 821 A HN 0.618 nan 8.150 nan 0.000 0.443 822 A N -0.561 122.274 122.820 0.025 0.000 1.969 822 A HA -0.117 4.204 4.320 0.001 0.000 0.218 822 A C 2.257 180.012 177.584 0.286 0.000 1.169 822 A CA 1.388 53.542 52.037 0.196 0.000 0.635 822 A CB -0.402 18.735 19.000 0.228 0.000 0.810 822 A HN 0.541 nan 8.150 nan 0.000 0.445 823 R N -0.266 120.321 120.500 0.144 0.000 2.066 823 R HA -0.067 4.274 4.340 0.001 0.000 0.232 823 R C 2.150 178.535 176.300 0.140 0.000 1.131 823 R CA 1.581 57.768 56.100 0.145 0.000 0.955 823 R CB -0.270 30.074 30.300 0.075 0.000 0.851 823 R HN 0.475 nan 8.270 nan 0.000 0.432 824 K N 0.208 120.660 120.400 0.088 0.000 2.097 824 K HA -0.170 4.151 4.320 0.001 0.000 0.206 824 K C 2.151 178.792 176.600 0.068 0.000 1.049 824 K CA 1.116 57.441 56.287 0.063 0.000 0.933 824 K CB -0.126 32.394 32.500 0.033 0.000 0.717 824 K HN 0.073 nan 8.250 nan 0.000 0.442 825 R N 0.425 120.976 120.500 0.085 0.000 2.120 825 R HA -0.131 4.209 4.340 0.001 0.000 0.234 825 R C 1.158 177.428 176.300 -0.050 0.000 1.123 825 R CA 1.496 57.606 56.100 0.017 0.000 0.975 825 R CB -0.031 30.278 30.300 0.015 0.000 0.866 825 R HN 0.307 nan 8.270 nan 0.000 0.446 826 H N -1.416 117.689 119.070 0.058 0.000 2.539 826 H HA 0.254 4.811 4.556 0.001 0.000 0.269 826 H C 0.542 175.896 175.328 0.043 0.000 0.980 826 H CA 0.688 56.770 56.048 0.057 0.000 1.152 826 H CB 0.999 30.806 29.762 0.076 0.000 1.407 826 H HN 0.476 nan 8.280 nan 0.000 0.564 827 G N 1.505 110.377 108.800 0.119 0.000 2.298 827 G HA2 -0.284 3.676 3.960 0.001 0.000 0.287 827 G HA3 -0.284 3.676 3.960 0.001 0.000 0.287 827 G C 0.203 175.151 174.900 0.081 0.000 1.075 827 G CA 0.607 45.752 45.100 0.076 0.000 0.960 827 G HN 0.456 nan 8.290 nan 0.000 0.502 828 M N -1.737 117.918 119.600 0.093 0.000 2.727 828 M HA 0.708 5.188 4.480 0.001 0.000 0.300 828 M C 0.192 176.525 176.300 0.056 0.000 1.246 828 M CA -1.341 54.003 55.300 0.073 0.000 0.835 828 M CB 1.316 33.966 32.600 0.084 0.000 1.755 828 M HN -0.020 nan 8.290 nan 0.000 0.473 829 K N 1.448 121.874 120.400 0.043 0.000 2.437 829 K HA -0.006 4.315 4.320 0.001 0.000 0.277 829 K C 0.236 176.855 176.600 0.031 0.000 1.073 829 K CA 0.254 56.559 56.287 0.030 0.000 1.105 829 K CB 0.479 32.991 32.500 0.020 0.000 0.881 829 K HN 0.727 nan 8.250 nan 0.000 0.475 830 E N 2.108 122.321 120.200 0.022 0.000 2.136 830 E HA -0.230 4.120 4.350 0.001 0.000 0.202 830 E C -0.341 176.267 176.600 0.013 0.000 1.019 830 E CA 1.634 58.043 56.400 0.016 0.000 0.819 830 E CB 0.100 29.804 29.700 0.007 0.000 0.739 830 E HN 0.557 nan 8.360 nan 0.000 0.458 831 E N 0.312 120.519 120.200 0.012 0.000 2.289 831 E HA 0.145 4.496 4.350 0.001 0.000 0.278 831 E C -0.882 175.735 176.600 0.028 0.000 1.032 831 E CA -0.207 56.200 56.400 0.013 0.000 0.854 831 E CB 1.540 31.242 29.700 0.004 0.000 1.046 831 E HN -0.142 nan 8.360 nan 0.000 0.409 832 V N 5.551 125.488 119.914 0.038 0.000 2.479 832 V HA 0.125 4.245 4.120 0.001 0.000 0.281 832 V C -1.894 174.246 176.094 0.076 0.000 1.031 832 V CA -1.496 60.845 62.300 0.069 0.000 1.038 832 V CB 0.102 31.974 31.823 0.080 0.000 0.981 832 V HN 0.638 nan 8.190 nan 0.000 0.478 833 P HA 0.162 nan 4.420 nan 0.000 0.264 833 P C 0.506 177.875 177.300 0.115 0.000 1.193 833 P CA 0.336 63.468 63.100 0.053 0.000 0.763 833 P CB 0.444 32.158 31.700 0.023 0.000 0.810 834 G N 2.665 111.477 108.800 0.021 0.000 2.684 834 G HA2 0.017 3.977 3.960 0.001 0.000 0.255 834 G HA3 0.017 3.977 3.960 0.001 0.000 0.255 834 G C 0.888 175.860 174.900 0.120 0.000 1.219 834 G CA -0.637 44.485 45.100 0.037 0.000 0.901 834 G HN 0.744 nan 8.290 nan 0.000 0.548 835 W N -0.573 120.834 121.300 0.180 0.000 2.465 835 W HA -0.069 4.591 4.660 0.001 0.000 0.268 835 W C 1.372 178.028 176.519 0.229 0.000 1.242 835 W CA 0.706 58.210 57.345 0.266 0.000 1.248 835 W CB -0.436 29.146 29.460 0.204 0.000 1.118 835 W HN 0.510 nan 8.180 nan 0.000 0.587 836 Q N 1.361 120.742 119.800 -0.699 0.000 2.291 836 Q HA -0.198 4.143 4.340 0.001 0.000 0.205 836 Q C 2.119 177.987 176.000 -0.221 0.000 0.970 836 Q CA 2.195 57.600 55.803 -0.664 0.000 0.876 836 Q CB -0.438 27.797 28.738 -0.837 0.000 0.935 836 Q HN 0.579 nan 8.270 nan 0.000 0.455 837 E N -0.702 119.362 120.200 -0.227 0.000 2.152 837 E HA -0.172 4.178 4.350 0.001 0.000 0.192 837 E C 0.861 177.268 176.600 -0.320 0.000 0.983 837 E CA 0.933 57.137 56.400 -0.327 0.000 0.818 837 E CB 0.061 29.456 29.700 -0.508 0.000 0.758 837 E HN 0.538 nan 8.360 nan 0.000 0.467 838 Y N -1.436 118.951 120.300 0.145 0.000 2.503 838 Y HA 0.111 4.662 4.550 0.001 0.000 0.277 838 Y C 0.561 176.569 175.900 0.180 0.000 1.102 838 Y CA -0.317 57.881 58.100 0.164 0.000 1.261 838 Y CB -0.098 38.506 38.460 0.240 0.000 1.096 838 Y HN 0.007 nan 8.280 nan 0.000 0.546 839 Y N 2.537 123.000 120.300 0.273 0.000 2.550 839 Y HA -0.040 4.510 4.550 0.001 0.000 0.343 839 Y C 0.648 176.612 175.900 0.105 0.000 1.245 839 Y CA -0.803 57.441 58.100 0.240 0.000 1.462 839 Y CB 0.301 38.992 38.460 0.386 0.000 1.340 839 Y HN 0.018 nan 8.280 nan 0.000 0.604 840 D N 4.697 125.048 120.400 -0.082 0.000 2.531 840 D HA -0.099 4.541 4.640 0.001 0.000 0.239 840 D C -0.520 175.896 176.300 0.194 0.000 1.144 840 D CA 0.287 54.290 54.000 0.005 0.000 0.869 840 D CB 0.331 41.053 40.800 -0.130 0.000 1.160 840 D HN 0.495 nan 8.370 nan 0.000 0.484 841 K N 5.581 126.034 120.400 0.088 0.000 2.336 841 K HA 0.341 4.662 4.320 0.001 0.000 0.290 841 K C -0.339 176.298 176.600 0.061 0.000 1.067 841 K CA -0.235 56.090 56.287 0.062 0.000 0.962 841 K CB -0.291 32.214 32.500 0.008 0.000 1.008 841 K HN 0.548 nan 8.250 nan 0.000 0.467 842 L N 0.000 121.272 121.223 0.081 0.000 2.949 842 L HA 0.000 4.340 4.340 0.001 0.000 0.249 842 L CA 0.000 54.881 54.840 0.068 0.000 0.813 842 L CB 0.000 42.111 42.059 0.087 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502