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 1ogs_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.563 177.584 -0.036 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 2 R N 1.402 121.844 120.500 -0.096 0.000 2.294 2 R HA 0.494 4.833 4.340 -0.000 0.000 0.319 2 R C -2.665 173.596 176.300 -0.065 0.000 0.984 2 R CA -1.780 54.252 56.100 -0.113 0.000 0.861 2 R CB 1.514 31.595 30.300 -0.365 0.000 1.104 2 R HN 0.432 nan 8.270 nan 0.000 0.451 3 P HA 0.017 nan 4.420 nan 0.000 0.276 3 P C -0.080 177.287 177.300 0.112 0.000 1.252 3 P CA -0.550 62.580 63.100 0.049 0.000 0.802 3 P CB 0.812 32.543 31.700 0.052 0.000 1.035 4 c N 3.186 121.809 118.600 0.038 0.000 2.653 4 c HA 0.239 4.809 4.570 -0.000 0.000 0.421 4 c C 0.518 174.632 174.090 0.040 0.000 1.334 4 c CA -0.505 55.850 56.329 0.044 0.000 1.885 4 c CB -1.789 40.699 42.510 -0.037 0.000 2.645 4 c HN 0.293 nan 8.230 nan 0.000 0.601 5 I N 9.170 129.765 120.570 0.042 0.000 2.287 5 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 5 I C -1.633 174.481 176.117 -0.006 0.000 1.069 5 I CA -2.538 58.734 61.300 -0.045 0.000 1.237 5 I CB 0.623 38.536 38.000 -0.145 0.000 1.418 5 I HN 0.603 nan 8.210 nan 0.000 0.481 6 P HA 0.256 nan 4.420 nan 0.000 0.275 6 P C -0.688 176.611 177.300 -0.001 0.000 1.227 6 P CA -0.464 62.641 63.100 0.007 0.000 0.781 6 P CB 1.744 33.437 31.700 -0.011 0.000 0.906 7 K N 1.134 121.550 120.400 0.026 0.000 2.525 7 K HA 0.439 4.759 4.320 -0.000 0.000 0.254 7 K C -1.262 175.309 176.600 -0.048 0.000 0.934 7 K CA -0.585 55.672 56.287 -0.050 0.000 0.802 7 K CB 1.885 34.367 32.500 -0.030 0.000 1.295 7 K HN 0.353 nan 8.250 nan 0.000 0.433 8 S N 2.804 118.397 115.700 -0.179 0.000 2.509 8 S HA 0.579 5.049 4.470 -0.000 0.000 0.297 8 S C -0.679 173.738 174.600 -0.306 0.000 1.118 8 S CA -0.543 57.599 58.200 -0.097 0.000 1.074 8 S CB 0.414 63.572 63.200 -0.070 0.000 1.038 8 S HN 0.531 nan 8.310 nan 0.000 0.498 9 F N 2.296 122.255 119.950 0.015 0.000 2.764 9 F HA 0.396 4.923 4.527 -0.000 0.000 0.310 9 F C 1.576 177.381 175.800 0.009 0.000 1.124 9 F CA 0.139 58.156 58.000 0.028 0.000 1.252 9 F CB 0.828 39.865 39.000 0.061 0.000 1.010 9 F HN 0.892 nan 8.300 nan 0.000 0.518 10 G N -0.838 107.991 108.800 0.048 0.000 2.176 10 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.232 10 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.232 10 G C 0.042 174.780 174.900 -0.270 0.000 0.986 10 G CA -0.285 44.727 45.100 -0.147 0.000 0.643 10 G HN 0.306 nan 8.290 nan 0.000 0.522 11 Y N 0.768 121.112 120.300 0.074 0.000 2.518 11 Y HA 0.484 5.034 4.550 -0.000 0.000 0.332 11 Y C 2.248 178.180 175.900 0.054 0.000 1.276 11 Y CA 0.211 58.349 58.100 0.064 0.000 1.418 11 Y CB 0.536 39.040 38.460 0.074 0.000 1.527 11 Y HN 0.234 nan 8.280 nan 0.000 0.549 12 S N -1.072 114.770 115.700 0.237 0.000 2.402 12 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 12 S C 0.846 175.508 174.600 0.103 0.000 1.030 12 S CA 1.452 59.727 58.200 0.125 0.000 1.003 12 S CB -0.341 62.929 63.200 0.117 0.000 0.813 12 S HN 0.494 nan 8.310 nan 0.000 0.477 13 S N -0.918 114.892 115.700 0.184 0.000 2.851 13 S HA 0.700 5.170 4.470 -0.000 0.000 0.313 13 S C -0.708 173.995 174.600 0.173 0.000 1.163 13 S CA -0.306 57.984 58.200 0.150 0.000 0.850 13 S CB 1.261 64.614 63.200 0.255 0.000 1.245 13 S HN 0.845 nan 8.310 nan 0.000 0.558 14 V N 0.623 120.626 119.914 0.148 0.000 2.966 14 V HA 0.960 5.079 4.120 -0.000 0.000 0.317 14 V C 0.026 176.233 176.094 0.188 0.000 1.070 14 V CA -0.498 61.890 62.300 0.146 0.000 1.008 14 V CB 1.001 32.869 31.823 0.076 0.000 1.070 14 V HN 0.879 nan 8.190 nan 0.000 0.457 15 V N -1.084 118.949 119.914 0.198 0.000 2.975 15 V HA 0.714 4.833 4.120 -0.000 0.000 0.318 15 V C -0.049 176.165 176.094 0.201 0.000 1.077 15 V CA -0.609 61.822 62.300 0.220 0.000 1.000 15 V CB 1.314 33.257 31.823 0.200 0.000 1.066 15 V HN 1.092 nan 8.190 nan 0.000 0.452 16 c N 2.388 121.116 118.600 0.213 0.000 2.273 16 c HA 0.675 5.244 4.570 -0.000 0.000 0.328 16 c C 0.313 174.472 174.090 0.115 0.000 1.275 16 c CA -0.599 55.815 56.329 0.142 0.000 1.704 16 c CB 0.269 42.871 42.510 0.154 0.000 2.326 16 c HN 0.756 nan 8.230 nan 0.000 0.517 17 V N 3.096 123.064 119.914 0.091 0.000 2.498 17 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 17 V C 0.262 176.245 176.094 -0.185 0.000 1.048 17 V CA -0.069 62.239 62.300 0.013 0.000 0.967 17 V CB 0.648 32.522 31.823 0.084 0.000 0.988 17 V HN 1.050 nan 8.190 nan 0.000 0.473 18 c N 5.260 123.549 118.600 -0.519 0.000 2.634 18 c HA 0.813 5.382 4.570 -0.000 0.000 0.313 18 c C 0.145 173.837 174.090 -0.665 0.000 1.198 18 c CA -0.701 55.195 56.329 -0.722 0.000 1.605 18 c CB 1.496 43.070 42.510 -1.560 0.000 2.196 18 c HN 1.121 nan 8.230 nan 0.000 0.486 19 N N 0.538 119.049 118.700 -0.316 0.000 3.506 19 N HA 0.554 5.294 4.740 -0.000 0.000 0.331 19 N C 0.419 175.929 175.510 0.001 0.000 1.631 19 N CA -0.093 52.876 53.050 -0.135 0.000 0.786 19 N CB 0.098 38.536 38.487 -0.082 0.000 2.023 19 N HN 0.474 nan 8.380 nan 0.000 0.621 20 A N -0.992 121.846 122.820 0.029 0.000 1.972 20 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 20 A C 1.478 179.090 177.584 0.047 0.000 1.169 20 A CA 2.488 54.555 52.037 0.050 0.000 0.635 20 A CB -1.333 17.689 19.000 0.036 0.000 0.810 20 A HN 0.895 nan 8.150 nan 0.000 0.446 21 T N -6.003 108.582 114.554 0.051 0.000 3.084 21 T HA 0.444 4.794 4.350 -0.000 0.000 0.270 21 T C -0.241 174.527 174.700 0.113 0.000 1.008 21 T CA -0.209 61.929 62.100 0.063 0.000 0.900 21 T CB -0.234 68.669 68.868 0.060 0.000 1.084 21 T HN 0.361 nan 8.240 nan 0.000 0.538 22 Y N -0.264 120.003 120.300 -0.055 0.000 2.480 22 Y HA 0.526 5.076 4.550 -0.000 0.000 0.329 22 Y C -1.789 174.037 175.900 -0.124 0.000 1.127 22 Y CA -1.371 56.685 58.100 -0.073 0.000 1.037 22 Y CB 1.708 40.122 38.460 -0.076 0.000 1.320 22 Y HN 0.297 nan 8.280 nan 0.000 0.446 23 c N 6.161 124.480 118.600 -0.469 0.000 3.113 23 c HA 0.313 4.883 4.570 -0.000 0.000 0.376 23 c C -1.560 172.279 174.090 -0.420 0.000 1.077 23 c CA -0.873 55.294 56.329 -0.270 0.000 1.253 23 c CB 0.619 43.044 42.510 -0.141 0.000 1.637 23 c HN 0.907 nan 8.230 nan 0.000 0.535 24 D N 3.242 123.530 120.400 -0.187 0.000 2.443 24 D HA 0.401 5.041 4.640 -0.000 0.000 0.239 24 D C -0.117 176.059 176.300 -0.206 0.000 1.136 24 D CA 0.418 54.316 54.000 -0.170 0.000 0.879 24 D CB 1.100 41.877 40.800 -0.039 0.000 1.195 24 D HN 0.845 nan 8.370 nan 0.000 0.443 25 S N 0.139 115.689 115.700 -0.250 0.000 2.596 25 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 25 S C -0.940 173.509 174.600 -0.252 0.000 1.155 25 S CA -1.054 57.023 58.200 -0.206 0.000 0.827 25 S CB 0.792 63.936 63.200 -0.094 0.000 1.130 25 S HN 0.334 nan 8.310 nan 0.000 0.467 26 F N 1.178 121.155 119.950 0.045 0.000 2.408 26 F HA 0.501 5.028 4.527 -0.000 0.000 0.325 26 F C 1.045 176.873 175.800 0.047 0.000 1.082 26 F CA -0.559 57.483 58.000 0.070 0.000 1.032 26 F CB 0.650 39.697 39.000 0.079 0.000 1.259 26 F HN 0.523 nan 8.300 nan 0.000 0.503 27 D N 0.833 121.402 120.400 0.280 0.000 2.383 27 D HA 0.230 4.870 4.640 -0.000 0.000 0.248 27 D C -2.353 174.040 176.300 0.155 0.000 1.170 27 D CA -1.110 52.987 54.000 0.163 0.000 0.977 27 D CB 0.578 41.456 40.800 0.131 0.000 1.120 27 D HN 0.087 nan 8.370 nan 0.000 0.481 28 P HA 0.091 nan 4.420 nan 0.000 0.264 28 P C -2.419 174.921 177.300 0.067 0.000 1.183 28 P CA -0.555 62.588 63.100 0.071 0.000 0.763 28 P CB -0.237 31.497 31.700 0.056 0.000 0.807 29 P HA 0.047 nan 4.420 nan 0.000 0.262 29 P C -0.587 176.728 177.300 0.024 0.000 1.182 29 P CA 0.786 63.885 63.100 -0.001 0.000 0.761 29 P CB 0.315 31.969 31.700 -0.077 0.000 0.795 30 T N 3.078 117.661 114.554 0.048 0.000 2.906 30 T HA 0.512 4.862 4.350 -0.000 0.000 0.295 30 T C -0.922 173.857 174.700 0.132 0.000 1.061 30 T CA -0.315 61.844 62.100 0.099 0.000 1.000 30 T CB 0.992 69.927 68.868 0.111 0.000 1.103 30 T HN 0.125 nan 8.240 nan 0.000 0.486 31 F N 3.398 123.419 119.950 0.119 0.000 2.482 31 F HA 0.442 4.969 4.527 -0.000 0.000 0.331 31 F C -1.651 174.176 175.800 0.046 0.000 1.115 31 F CA -2.576 55.473 58.000 0.082 0.000 0.955 31 F CB 1.864 40.988 39.000 0.207 0.000 1.136 31 F HN 0.345 nan 8.300 nan 0.000 0.452 32 P HA 0.100 nan 4.420 nan 0.000 0.269 32 P C -0.893 176.452 177.300 0.075 0.000 1.209 32 P CA -0.285 62.864 63.100 0.082 0.000 0.776 32 P CB 0.964 32.692 31.700 0.046 0.000 0.876 33 A N 3.687 126.572 122.820 0.107 0.000 2.425 33 A HA 0.163 4.483 4.320 -0.000 0.000 0.242 33 A C 0.512 178.180 177.584 0.139 0.000 1.077 33 A CA -0.574 51.548 52.037 0.142 0.000 0.781 33 A CB -0.252 18.798 19.000 0.084 0.000 1.020 33 A HN 0.747 nan 8.150 nan 0.000 0.494 34 L N 1.221 122.539 121.223 0.159 0.000 2.514 34 L HA 0.356 4.696 4.340 -0.000 0.000 0.280 34 L C 1.369 178.293 176.870 0.090 0.000 1.223 34 L CA 1.618 56.540 54.840 0.137 0.000 0.864 34 L CB 0.348 42.466 42.059 0.098 0.000 1.118 34 L HN 1.389 nan 8.230 nan 0.000 0.494 35 G N 1.751 110.604 108.800 0.088 0.000 2.194 35 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.236 35 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.236 35 G C 0.172 175.103 174.900 0.051 0.000 0.987 35 G CA 0.258 45.393 45.100 0.057 0.000 0.635 35 G HN 0.991 nan 8.290 nan 0.000 0.520 36 T N -1.189 113.400 114.554 0.058 0.000 2.901 36 T HA 0.823 5.173 4.350 -0.000 0.000 0.293 36 T C -0.496 174.263 174.700 0.098 0.000 1.084 36 T CA -0.318 61.786 62.100 0.006 0.000 1.008 36 T CB 2.571 71.398 68.868 -0.069 0.000 1.170 36 T HN 1.555 nan 8.240 nan 0.000 0.509 37 F N -0.837 119.139 119.950 0.042 0.000 2.588 37 F HA 0.869 5.396 4.527 -0.000 0.000 0.314 37 F C -0.621 175.241 175.800 0.103 0.000 1.069 37 F CA -1.162 56.911 58.000 0.122 0.000 0.931 37 F CB 1.503 40.562 39.000 0.099 0.000 1.260 37 F HN 0.587 nan 8.300 nan 0.000 0.465 38 S N 2.009 117.908 115.700 0.332 0.000 2.565 38 S HA 0.635 5.105 4.470 -0.000 0.000 0.290 38 S C -0.888 173.836 174.600 0.206 0.000 1.150 38 S CA -0.834 57.431 58.200 0.109 0.000 1.058 38 S CB 1.294 64.546 63.200 0.087 0.000 1.032 38 S HN 0.762 nan 8.310 nan 0.000 0.510 39 R N 2.078 122.528 120.500 -0.084 0.000 2.538 39 R HA 0.374 4.714 4.340 -0.000 0.000 0.292 39 R C -2.100 173.929 176.300 -0.452 0.000 1.008 39 R CA -0.429 55.519 56.100 -0.254 0.000 0.896 39 R CB 0.860 31.084 30.300 -0.127 0.000 1.187 39 R HN 0.649 nan 8.270 nan 0.000 0.440 40 Y N 1.891 121.970 120.300 -0.367 0.000 2.335 40 Y HA 0.305 4.855 4.550 -0.000 0.000 0.338 40 Y C 0.005 175.851 175.900 -0.090 0.000 0.977 40 Y CA -0.413 57.566 58.100 -0.202 0.000 1.114 40 Y CB 1.926 40.222 38.460 -0.273 0.000 1.182 40 Y HN 0.547 nan 8.280 nan 0.000 0.463 41 E N 1.830 122.090 120.200 0.100 0.000 2.248 41 E HA 0.666 5.016 4.350 -0.000 0.000 0.267 41 E C -1.494 175.295 176.600 0.315 0.000 0.877 41 E CA -0.594 55.893 56.400 0.145 0.000 0.759 41 E CB 1.328 30.943 29.700 -0.141 0.000 1.182 41 E HN 0.560 nan 8.360 nan 0.000 0.418 42 S N 1.973 117.909 115.700 0.393 0.000 2.557 42 S HA 0.550 5.020 4.470 -0.000 0.000 0.291 42 S C -0.952 173.866 174.600 0.365 0.000 1.116 42 S CA -0.712 57.722 58.200 0.391 0.000 0.992 42 S CB 1.742 65.257 63.200 0.525 0.000 1.028 42 S HN 0.654 nan 8.310 nan 0.000 0.484 43 T N -0.698 113.932 114.554 0.127 0.000 2.906 43 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 43 T C 0.752 174.869 174.700 -0.972 0.000 1.075 43 T CA -0.954 60.999 62.100 -0.245 0.000 1.005 43 T CB 1.641 70.440 68.868 -0.115 0.000 1.136 43 T HN 0.444 nan 8.240 nan 0.000 0.498 44 R N 0.746 120.344 120.500 -1.503 0.000 2.148 44 R HA -0.089 4.251 4.340 -0.000 0.000 0.227 44 R C 2.110 178.075 176.300 -0.558 0.000 1.103 44 R CA 1.904 57.119 56.100 -1.475 0.000 0.983 44 R CB -0.662 28.863 30.300 -1.292 0.000 0.874 44 R HN 0.813 nan 8.270 nan 0.000 0.451 45 S N -1.557 113.924 115.700 -0.365 0.000 2.474 45 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 45 S C 1.364 175.882 174.600 -0.136 0.000 0.997 45 S CA 1.051 59.142 58.200 -0.182 0.000 0.949 45 S CB 0.320 63.451 63.200 -0.114 0.000 0.766 45 S HN 0.570 nan 8.310 nan 0.000 0.517 46 G N 0.433 109.140 108.800 -0.155 0.000 2.672 46 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.197 46 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.197 46 G C 0.025 174.889 174.900 -0.060 0.000 0.995 46 G CA -0.644 44.406 45.100 -0.083 0.000 0.754 46 G HN 0.479 nan 8.290 nan 0.000 0.505 47 R N 0.906 121.377 120.500 -0.048 0.000 2.537 47 R HA 0.525 4.865 4.340 -0.000 0.000 0.280 47 R C -0.245 176.066 176.300 0.018 0.000 1.058 47 R CA 0.030 56.128 56.100 -0.004 0.000 1.057 47 R CB 0.418 30.736 30.300 0.029 0.000 0.973 47 R HN -0.013 nan 8.270 nan 0.000 0.438 48 R N 4.058 124.547 120.500 -0.019 0.000 2.412 48 R HA 0.176 4.516 4.340 -0.000 0.000 0.304 48 R C -0.051 176.308 176.300 0.099 0.000 1.066 48 R CA -0.560 55.482 56.100 -0.097 0.000 0.923 48 R CB 1.199 31.237 30.300 -0.438 0.000 1.156 48 R HN 0.794 nan 8.270 nan 0.000 0.513 49 M N 1.150 120.930 119.600 0.299 0.000 2.175 49 M HA -0.259 4.221 4.480 -0.000 0.000 0.192 49 M C -0.444 176.116 176.300 0.434 0.000 0.473 49 M CA 1.336 56.893 55.300 0.428 0.000 0.414 49 M CB -1.240 31.722 32.600 0.604 0.000 1.069 49 M HN 0.402 nan 8.290 nan 0.000 0.933 50 E N 0.829 121.160 120.200 0.219 0.000 2.338 50 E HA 0.380 4.730 4.350 -0.000 0.000 0.272 50 E C -0.292 176.280 176.600 -0.047 0.000 1.029 50 E CA -0.659 55.798 56.400 0.095 0.000 0.872 50 E CB 1.294 31.009 29.700 0.025 0.000 1.015 50 E HN 0.287 nan 8.360 nan 0.000 0.417 51 L N 2.519 123.656 121.223 -0.144 0.000 2.312 51 L HA 0.296 4.636 4.340 -0.000 0.000 0.281 51 L C -0.508 176.196 176.870 -0.277 0.000 1.070 51 L CA 0.235 54.810 54.840 -0.441 0.000 0.805 51 L CB 1.091 42.907 42.059 -0.406 0.000 1.174 51 L HN 0.620 nan 8.230 nan 0.000 0.434 52 S N 5.582 121.094 115.700 -0.314 0.000 2.607 52 S HA 0.809 5.279 4.470 -0.000 0.000 0.273 52 S C -0.918 173.535 174.600 -0.245 0.000 1.148 52 S CA -0.943 57.133 58.200 -0.207 0.000 0.833 52 S CB 1.666 64.780 63.200 -0.143 0.000 1.130 52 S HN 0.854 nan 8.310 nan 0.000 0.470 53 M N 1.260 120.704 119.600 -0.261 0.000 2.550 53 M HA 0.764 5.244 4.480 -0.000 0.000 0.292 53 M C -0.866 175.089 176.300 -0.574 0.000 1.221 53 M CA 0.016 55.060 55.300 -0.428 0.000 0.873 53 M CB 1.606 34.034 32.600 -0.287 0.000 1.727 53 M HN 1.220 nan 8.290 nan 0.000 0.459 54 G N 2.954 111.061 108.800 -1.156 0.000 2.708 54 G HA2 0.810 4.770 3.960 -0.000 0.000 0.289 54 G HA3 0.810 4.770 3.960 -0.000 0.000 0.289 54 G C -3.357 171.171 174.900 -0.620 0.000 1.416 54 G CA -0.863 43.728 45.100 -0.849 0.000 0.829 54 G HN 0.481 nan 8.290 nan 0.000 0.480 55 P HA 0.487 nan 4.420 nan 0.000 0.284 55 P C -0.661 176.761 177.300 0.203 0.000 1.258 55 P CA -0.473 62.645 63.100 0.030 0.000 0.824 55 P CB 2.103 33.819 31.700 0.027 0.000 1.038 56 I N 2.621 123.272 120.570 0.134 0.000 2.315 56 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 56 I C 0.944 177.103 176.117 0.070 0.000 1.006 56 I CA -0.630 60.716 61.300 0.077 0.000 1.265 56 I CB 0.959 38.942 38.000 -0.028 0.000 1.387 56 I HN 0.153 nan 8.210 nan 0.000 0.475 57 Q N 4.421 124.280 119.800 0.099 0.000 2.327 57 Q HA 0.262 4.602 4.340 -0.000 0.000 0.254 57 Q C 0.812 176.924 176.000 0.187 0.000 0.952 57 Q CA -0.172 55.703 55.803 0.120 0.000 0.884 57 Q CB 1.634 30.436 28.738 0.108 0.000 1.224 57 Q HN 0.834 nan 8.270 nan 0.000 0.422 58 A N 3.523 126.425 122.820 0.136 0.000 1.970 58 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 58 A C 0.384 178.107 177.584 0.231 0.000 1.170 58 A CA 0.991 53.121 52.037 0.156 0.000 0.645 58 A CB 0.086 19.137 19.000 0.086 0.000 0.816 58 A HN 0.790 nan 8.150 nan 0.000 0.447 59 N N -1.805 116.961 118.700 0.109 0.000 2.405 59 N HA 0.513 5.253 4.740 -0.000 0.000 0.285 59 N C -1.122 174.179 175.510 -0.349 0.000 1.262 59 N CA -0.624 52.390 53.050 -0.060 0.000 0.773 59 N CB 1.441 39.892 38.487 -0.060 0.000 1.490 59 N HN 0.348 nan 8.380 nan 0.000 0.486 60 H N 0.064 118.642 119.070 -0.820 0.000 3.026 60 H HA 0.399 4.954 4.556 -0.000 0.000 0.352 60 H C -1.790 173.235 175.328 -0.506 0.000 1.090 60 H CA -0.312 55.242 56.048 -0.823 0.000 1.268 60 H CB 1.472 30.325 29.762 -1.515 0.000 1.816 60 H HN 0.509 nan 8.280 nan 0.000 0.518 61 T N 2.956 116.897 114.554 -1.020 0.000 2.863 61 T HA 0.690 5.040 4.350 -0.000 0.000 0.285 61 T C -0.178 174.054 174.700 -0.780 0.000 1.009 61 T CA -0.019 61.673 62.100 -0.681 0.000 0.989 61 T CB 1.641 70.296 68.868 -0.356 0.000 1.004 61 T HN 0.920 nan 8.240 nan 0.000 0.455 62 G N 0.240 108.798 108.800 -0.404 0.000 2.350 62 G HA2 0.330 4.290 3.960 -0.000 0.000 0.305 62 G HA3 0.330 4.290 3.960 -0.000 0.000 0.305 62 G C 0.023 174.907 174.900 -0.027 0.000 1.479 62 G CA 0.048 45.034 45.100 -0.191 0.000 0.949 62 G HN 0.631 nan 8.290 nan 0.000 0.651 63 T N -0.577 113.975 114.554 -0.003 0.000 3.010 63 T HA 0.432 4.782 4.350 -0.000 0.000 0.257 63 T C 1.504 176.224 174.700 0.034 0.000 1.020 63 T CA 1.583 63.693 62.100 0.017 0.000 0.938 63 T CB -0.687 68.180 68.868 -0.001 0.000 1.049 63 T HN 1.435 nan 8.240 nan 0.000 0.522 64 G N 1.659 110.486 108.800 0.045 0.000 2.712 64 G HA2 0.367 4.327 3.960 -0.000 0.000 0.258 64 G HA3 0.367 4.327 3.960 -0.000 0.000 0.258 64 G C -0.232 174.691 174.900 0.038 0.000 1.241 64 G CA -0.629 44.494 45.100 0.039 0.000 0.923 64 G HN 0.453 nan 8.290 nan 0.000 0.548 65 L N -0.493 120.739 121.223 0.016 0.000 2.513 65 L HA 0.435 4.774 4.340 -0.000 0.000 0.272 65 L C -0.272 176.586 176.870 -0.019 0.000 1.187 65 L CA -0.130 54.710 54.840 0.001 0.000 0.895 65 L CB 0.702 42.756 42.059 -0.008 0.000 1.147 65 L HN 0.350 nan 8.230 nan 0.000 0.483 66 L N 6.373 127.585 121.223 -0.019 0.000 2.356 66 L HA 0.568 4.908 4.340 -0.000 0.000 0.277 66 L C -1.399 175.447 176.870 -0.040 0.000 0.996 66 L CA -0.262 54.550 54.840 -0.047 0.000 0.822 66 L CB 1.532 43.580 42.059 -0.019 0.000 1.256 66 L HN 0.548 nan 8.230 nan 0.000 0.413 67 L N 5.001 126.184 121.223 -0.065 0.000 2.298 67 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 67 L C -0.342 176.496 176.870 -0.054 0.000 1.013 67 L CA -0.434 54.379 54.840 -0.046 0.000 0.824 67 L CB 1.658 43.690 42.059 -0.047 0.000 1.221 67 L HN 0.594 nan 8.230 nan 0.000 0.418 68 T N 3.889 118.426 114.554 -0.029 0.000 2.767 68 T HA 0.374 4.724 4.350 -0.000 0.000 0.284 68 T C -0.188 174.512 174.700 0.001 0.000 0.973 68 T CA -0.427 61.652 62.100 -0.035 0.000 0.996 68 T CB 1.711 70.564 68.868 -0.025 0.000 0.927 68 T HN 0.220 nan 8.240 nan 0.000 0.456 69 L N 3.720 124.950 121.223 0.011 0.000 2.380 69 L HA 0.258 4.598 4.340 -0.000 0.000 0.273 69 L C 0.153 177.049 176.870 0.043 0.000 1.138 69 L CA 0.485 55.360 54.840 0.059 0.000 0.832 69 L CB 0.496 42.627 42.059 0.120 0.000 1.124 69 L HN 0.626 nan 8.230 nan 0.000 0.454 70 Q N 6.818 126.654 119.800 0.061 0.000 2.849 70 Q HA 0.249 4.589 4.340 -0.000 0.000 0.289 70 Q C -1.773 174.263 176.000 0.060 0.000 1.012 70 Q CA -1.533 54.304 55.803 0.056 0.000 0.899 70 Q CB 0.995 29.776 28.738 0.072 0.000 1.235 70 Q HN 0.553 nan 8.270 nan 0.000 0.457 71 P HA -0.203 nan 4.420 nan 0.000 0.220 71 P C 0.427 177.739 177.300 0.021 0.000 1.144 71 P CA 1.294 64.416 63.100 0.036 0.000 0.800 71 P CB 0.542 32.259 31.700 0.028 0.000 0.772 72 E N -0.478 119.729 120.200 0.011 0.000 2.442 72 E HA -0.021 4.328 4.350 -0.000 0.000 0.195 72 E C 1.112 177.686 176.600 -0.044 0.000 1.030 72 E CA 0.262 56.656 56.400 -0.011 0.000 0.869 72 E CB -0.205 29.490 29.700 -0.009 0.000 0.857 72 E HN 0.452 nan 8.360 nan 0.000 0.505 73 Q N 2.149 121.927 119.800 -0.036 0.000 2.490 73 Q HA 0.060 4.400 4.340 -0.000 0.000 0.226 73 Q C -0.720 175.145 176.000 -0.226 0.000 1.132 73 Q CA -0.318 55.404 55.803 -0.134 0.000 0.928 73 Q CB 0.260 28.997 28.738 -0.002 0.000 1.299 73 Q HN -0.276 nan 8.270 nan 0.000 0.528 74 K N 3.364 123.574 120.400 -0.317 0.000 2.143 74 K HA 0.337 4.657 4.320 -0.000 0.000 0.272 74 K C -0.678 175.631 176.600 -0.485 0.000 1.001 74 K CA -0.020 56.130 56.287 -0.230 0.000 0.915 74 K CB 0.890 33.332 32.500 -0.096 0.000 1.047 74 K HN 0.375 nan 8.250 nan 0.000 0.458 75 F N 0.026 120.003 119.950 0.045 0.000 3.168 75 F HA 0.161 4.688 4.527 -0.000 0.000 0.237 75 F C 1.006 176.850 175.800 0.074 0.000 1.560 75 F CA -0.674 57.360 58.000 0.056 0.000 0.948 75 F CB -0.105 38.903 39.000 0.013 0.000 1.885 75 F HN 0.340 nan 8.300 nan 0.000 0.360 76 Q N 2.277 122.270 119.800 0.321 0.000 2.368 76 Q HA 0.253 4.593 4.340 -0.000 0.000 0.237 76 Q C -1.339 174.763 176.000 0.169 0.000 0.987 76 Q CA -0.095 55.835 55.803 0.212 0.000 0.896 76 Q CB 1.068 29.922 28.738 0.194 0.000 1.241 76 Q HN 0.504 nan 8.270 nan 0.000 0.485 77 K N 0.985 121.470 120.400 0.141 0.000 2.110 77 K HA 0.437 4.757 4.320 -0.000 0.000 0.263 77 K C -0.696 175.967 176.600 0.104 0.000 0.975 77 K CA -0.834 55.523 56.287 0.118 0.000 0.895 77 K CB 1.880 34.441 32.500 0.102 0.000 1.060 77 K HN 0.430 nan 8.250 nan 0.000 0.448 78 V N 3.425 123.392 119.914 0.088 0.000 2.498 78 V HA 0.021 4.141 4.120 -0.000 0.000 0.279 78 V C 1.133 177.229 176.094 0.004 0.000 1.048 78 V CA -0.062 62.267 62.300 0.049 0.000 0.967 78 V CB 1.259 33.133 31.823 0.085 0.000 0.988 78 V HN 0.747 nan 8.190 nan 0.000 0.473 79 K N 3.469 123.848 120.400 -0.035 0.000 2.078 79 K HA 0.387 4.707 4.320 -0.000 0.000 0.203 79 K C 0.624 177.119 176.600 -0.175 0.000 1.043 79 K CA 1.427 57.645 56.287 -0.115 0.000 0.960 79 K CB -0.008 32.427 32.500 -0.109 0.000 0.761 79 K HN 0.978 nan 8.250 nan 0.000 0.448 80 G N -1.876 106.793 108.800 -0.219 0.000 2.327 80 G HA2 0.351 4.311 3.960 -0.000 0.000 0.291 80 G HA3 0.351 4.311 3.960 -0.000 0.000 0.291 80 G C -1.630 172.967 174.900 -0.505 0.000 1.290 80 G CA -0.916 44.054 45.100 -0.216 0.000 0.857 80 G HN 0.009 nan 8.290 nan 0.000 0.520 81 F N -0.397 119.518 119.950 -0.058 0.000 2.588 81 F HA 0.873 5.400 4.527 -0.000 0.000 0.310 81 F C 0.769 176.329 175.800 -0.400 0.000 1.082 81 F CA 0.441 58.354 58.000 -0.145 0.000 0.929 81 F CB 2.505 41.447 39.000 -0.097 0.000 1.254 81 F HN 1.161 nan 8.300 nan 0.000 0.455 82 G N -0.124 108.391 108.800 -0.474 0.000 2.435 82 G HA2 0.596 4.556 3.960 -0.000 0.000 0.296 82 G HA3 0.596 4.556 3.960 -0.000 0.000 0.296 82 G C -1.367 173.107 174.900 -0.710 0.000 1.240 82 G CA -0.059 44.457 45.100 -0.973 0.000 0.872 82 G HN 1.041 nan 8.290 nan 0.000 0.480 83 G N -1.626 106.988 108.800 -0.311 0.000 2.727 83 G HA2 0.792 4.752 3.960 -0.000 0.000 0.289 83 G HA3 0.792 4.752 3.960 -0.000 0.000 0.289 83 G C -1.006 173.934 174.900 0.067 0.000 1.418 83 G CA 0.420 45.483 45.100 -0.062 0.000 0.818 83 G HN 1.690 nan 8.290 nan 0.000 0.486 84 A N -0.231 122.652 122.820 0.104 0.000 2.290 84 A HA 0.632 4.952 4.320 -0.000 0.000 0.310 84 A C -0.142 177.463 177.584 0.036 0.000 1.202 84 A CA -0.572 51.553 52.037 0.147 0.000 0.837 84 A CB 1.207 20.405 19.000 0.330 0.000 1.139 84 A HN 0.713 nan 8.150 nan 0.000 0.509 85 M N 3.996 123.651 119.600 0.092 0.000 3.117 85 M HA 0.222 4.701 4.480 -0.000 0.000 0.292 85 M C 0.583 176.896 176.300 0.022 0.000 1.357 85 M CA -0.147 55.189 55.300 0.060 0.000 1.463 85 M CB -0.726 31.939 32.600 0.108 0.000 1.105 85 M HN 0.762 nan 8.290 nan 0.000 0.553 86 T N -1.338 113.150 114.554 -0.110 0.000 2.788 86 T HA 0.281 4.631 4.350 -0.000 0.000 0.280 86 T C 0.798 175.459 174.700 -0.064 0.000 0.984 86 T CA -0.673 61.332 62.100 -0.158 0.000 0.972 86 T CB 0.692 69.303 68.868 -0.429 0.000 1.039 86 T HN 0.459 nan 8.240 nan 0.000 0.530 87 D N 0.648 121.031 120.400 -0.028 0.000 2.117 87 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 87 D C 2.349 178.658 176.300 0.015 0.000 0.987 87 D CA 1.641 55.658 54.000 0.028 0.000 0.829 87 D CB -0.798 40.044 40.800 0.070 0.000 0.961 87 D HN 0.717 nan 8.370 nan 0.000 0.460 88 A N 1.054 123.879 122.820 0.009 0.000 1.877 88 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 88 A C 2.324 179.898 177.584 -0.016 0.000 1.186 88 A CA 2.308 54.367 52.037 0.037 0.000 0.620 88 A CB -0.761 18.326 19.000 0.146 0.000 0.822 88 A HN 0.239 nan 8.150 nan 0.000 0.443 89 A N -0.145 122.625 122.820 -0.083 0.000 1.877 89 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 89 A C 2.534 180.105 177.584 -0.022 0.000 1.186 89 A CA 2.184 54.180 52.037 -0.069 0.000 0.620 89 A CB -1.107 17.831 19.000 -0.102 0.000 0.822 89 A HN 1.085 nan 8.150 nan 0.000 0.443 90 A N -0.515 122.299 122.820 -0.011 0.000 1.902 90 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 90 A C 2.159 179.744 177.584 0.003 0.000 1.181 90 A CA 1.804 53.845 52.037 0.005 0.000 0.623 90 A CB -0.658 18.353 19.000 0.018 0.000 0.818 90 A HN 0.739 nan 8.150 nan 0.000 0.443 91 L N 0.370 121.598 121.223 0.007 0.000 2.046 91 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 91 L C 1.914 178.787 176.870 0.005 0.000 1.077 91 L CA 2.223 57.069 54.840 0.010 0.000 0.747 91 L CB -0.709 41.363 42.059 0.022 0.000 0.896 91 L HN 0.342 nan 8.230 nan 0.000 0.432 92 N N -0.095 118.606 118.700 0.002 0.000 2.142 92 N HA -0.137 4.602 4.740 -0.000 0.000 0.186 92 N C 1.974 177.471 175.510 -0.021 0.000 1.023 92 N CA 1.960 55.007 53.050 -0.005 0.000 0.852 92 N CB -0.230 38.253 38.487 -0.007 0.000 0.998 92 N HN 0.430 nan 8.380 nan 0.000 0.424 93 I N 1.135 121.686 120.570 -0.031 0.000 2.179 93 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 93 I C 1.875 177.970 176.117 -0.036 0.000 1.088 93 I CA 0.963 62.230 61.300 -0.054 0.000 1.357 93 I CB -0.194 37.782 38.000 -0.040 0.000 1.051 93 I HN 0.042 nan 8.210 nan 0.000 0.409 94 L N 0.395 121.608 121.223 -0.017 0.000 2.551 94 L HA -0.029 4.311 4.340 -0.000 0.000 0.228 94 L C 2.433 179.300 176.870 -0.004 0.000 1.153 94 L CA 0.337 55.172 54.840 -0.009 0.000 0.851 94 L CB -0.418 41.638 42.059 -0.005 0.000 0.959 94 L HN 0.203 nan 8.230 nan 0.000 0.451 95 A N -0.405 122.413 122.820 -0.003 0.000 2.169 95 A HA 0.167 4.487 4.320 -0.000 0.000 0.212 95 A C 1.086 178.673 177.584 0.006 0.000 1.153 95 A CA 0.170 52.209 52.037 0.003 0.000 0.756 95 A CB -0.127 18.877 19.000 0.006 0.000 0.813 95 A HN 0.241 nan 8.150 nan 0.000 0.471 96 L N 0.450 121.675 121.223 0.003 0.000 2.454 96 L HA 0.276 4.616 4.340 -0.000 0.000 0.256 96 L C 1.071 177.951 176.870 0.017 0.000 1.136 96 L CA -0.517 54.333 54.840 0.016 0.000 0.804 96 L CB 1.084 43.155 42.059 0.019 0.000 1.181 96 L HN 0.335 nan 8.230 nan 0.000 0.469 97 S N -0.011 115.705 115.700 0.027 0.000 2.585 97 S HA 0.188 4.658 4.470 -0.000 0.000 0.273 97 S C -1.974 172.641 174.600 0.024 0.000 1.339 97 S CA -1.043 57.171 58.200 0.023 0.000 1.028 97 S CB 0.990 64.205 63.200 0.025 0.000 0.906 97 S HN 0.380 nan 8.310 nan 0.000 0.528 98 P HA -0.090 nan 4.420 nan 0.000 0.215 98 P C -1.525 175.789 177.300 0.024 0.000 1.163 98 P CA 1.640 64.749 63.100 0.016 0.000 0.894 98 P CB -1.184 30.523 31.700 0.012 0.000 0.791 99 P HA -0.148 nan 4.420 nan 0.000 0.216 99 P C 1.397 178.735 177.300 0.063 0.000 1.150 99 P CA 2.032 65.155 63.100 0.038 0.000 0.837 99 P CB -0.644 31.077 31.700 0.035 0.000 0.786 100 A N -0.458 122.410 122.820 0.081 0.000 1.930 100 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 100 A C 2.230 179.873 177.584 0.099 0.000 1.175 100 A CA 1.432 53.565 52.037 0.161 0.000 0.627 100 A CB -1.254 17.849 19.000 0.171 0.000 0.815 100 A HN 0.170 nan 8.150 nan 0.000 0.443 101 Q N -0.092 119.719 119.800 0.018 0.000 2.061 101 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 101 Q C 1.859 177.838 176.000 -0.036 0.000 0.984 101 Q CA 1.551 57.327 55.803 -0.046 0.000 0.846 101 Q CB -0.263 28.463 28.738 -0.020 0.000 0.902 101 Q HN 0.626 nan 8.270 nan 0.000 0.421 102 N N 0.600 119.306 118.700 0.010 0.000 2.120 102 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 102 N C 1.850 177.382 175.510 0.037 0.000 1.024 102 N CA 1.024 54.089 53.050 0.025 0.000 0.852 102 N CB -0.206 38.298 38.487 0.029 0.000 1.003 102 N HN 0.239 nan 8.380 nan 0.000 0.424 103 L N 0.716 121.980 121.223 0.067 0.000 2.131 103 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 103 L C 2.407 179.334 176.870 0.095 0.000 1.092 103 L CA 0.562 55.474 54.840 0.120 0.000 0.759 103 L CB -0.321 41.863 42.059 0.208 0.000 0.903 103 L HN 0.155 nan 8.230 nan 0.000 0.435 104 L N -0.354 120.778 121.223 -0.152 0.000 2.027 104 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 104 L C 2.466 179.224 176.870 -0.187 0.000 1.074 104 L CA 1.236 55.727 54.840 -0.582 0.000 0.745 104 L CB -0.040 41.403 42.059 -1.027 0.000 0.898 104 L HN 0.159 nan 8.230 nan 0.000 0.433 105 L N -0.351 120.868 121.223 -0.005 0.000 2.083 105 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 105 L C 2.602 179.642 176.870 0.283 0.000 1.083 105 L CA 1.369 56.350 54.840 0.236 0.000 0.752 105 L CB -0.518 41.645 42.059 0.175 0.000 0.899 105 L HN 0.237 nan 8.230 nan 0.000 0.433 106 K N -0.374 120.111 120.400 0.141 0.000 2.097 106 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 106 K C 2.293 178.951 176.600 0.097 0.000 1.050 106 K CA 1.385 57.749 56.287 0.129 0.000 0.938 106 K CB -0.094 32.455 32.500 0.082 0.000 0.718 106 K HN 0.150 nan 8.250 nan 0.000 0.442 107 S N 0.252 115.972 115.700 0.032 0.000 2.383 107 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 107 S C 1.727 176.343 174.600 0.027 0.000 1.030 107 S CA 1.296 59.502 58.200 0.011 0.000 1.002 107 S CB -0.255 62.820 63.200 -0.209 0.000 0.829 107 S HN 0.349 nan 8.310 nan 0.000 0.467 108 Y N -0.956 119.242 120.300 -0.170 0.000 2.262 108 Y HA 0.093 4.642 4.550 -0.000 0.000 0.295 108 Y C 1.615 177.033 175.900 -0.802 0.000 1.121 108 Y CA 0.578 58.242 58.100 -0.726 0.000 1.144 108 Y CB 0.080 37.908 38.460 -1.053 0.000 1.043 108 Y HN 0.216 nan 8.280 nan 0.000 0.528 109 F N -1.744 118.269 119.950 0.104 0.000 2.717 109 F HA 0.147 4.674 4.527 -0.000 0.000 0.295 109 F C 1.283 177.110 175.800 0.045 0.000 1.117 109 F CA -0.202 57.848 58.000 0.084 0.000 1.361 109 F CB -0.001 39.054 39.000 0.092 0.000 1.112 109 F HN -0.270 nan 8.300 nan 0.000 0.594 110 S N 0.333 116.140 115.700 0.178 0.000 2.617 110 S HA 0.094 4.564 4.470 -0.000 0.000 0.269 110 S C 1.344 175.972 174.600 0.046 0.000 1.292 110 S CA -0.518 57.747 58.200 0.110 0.000 1.010 110 S CB 0.822 64.084 63.200 0.103 0.000 0.944 110 S HN 0.135 nan 8.310 nan 0.000 0.536 111 E N 1.713 121.928 120.200 0.025 0.000 2.418 111 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 111 E C 1.029 177.636 176.600 0.012 0.000 1.026 111 E CA 0.654 57.037 56.400 -0.029 0.000 0.862 111 E CB -0.040 29.644 29.700 -0.025 0.000 0.799 111 E HN 0.610 nan 8.360 nan 0.000 0.518 112 E N -0.100 120.152 120.200 0.086 0.000 2.478 112 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 112 E C 0.954 177.734 176.600 0.300 0.000 1.045 112 E CA 0.391 56.897 56.400 0.176 0.000 0.868 112 E CB 0.341 30.106 29.700 0.108 0.000 0.885 112 E HN 0.217 nan 8.360 nan 0.000 0.505 113 G N 0.297 109.216 108.800 0.198 0.000 3.175 113 G HA2 0.356 4.316 3.960 -0.000 0.000 0.153 113 G HA3 0.356 4.316 3.960 -0.000 0.000 0.153 113 G C 0.390 175.320 174.900 0.049 0.000 1.216 113 G CA -0.375 44.863 45.100 0.229 0.000 0.943 113 G HN 0.199 nan 8.290 nan 0.000 0.611 114 I N -1.811 118.691 120.570 -0.114 0.000 3.889 114 I HA 0.473 4.643 4.170 -0.000 0.000 0.332 114 I C 1.132 177.082 176.117 -0.279 0.000 1.493 114 I CA 0.159 61.254 61.300 -0.342 0.000 1.158 114 I CB 0.137 37.832 38.000 -0.510 0.000 1.117 114 I HN 0.692 nan 8.210 nan 0.000 0.411 115 G N 1.617 110.313 108.800 -0.174 0.000 2.421 115 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.300 115 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.300 115 G C -0.013 174.939 174.900 0.087 0.000 0.974 115 G CA 0.068 45.132 45.100 -0.061 0.000 1.062 115 G HN 0.698 nan 8.290 nan 0.000 0.514 116 Y N 0.106 120.327 120.300 -0.132 0.000 2.597 116 Y HA 0.051 4.600 4.550 -0.000 0.000 0.336 116 Y C 1.634 177.595 175.900 0.102 0.000 1.216 116 Y CA 0.262 58.306 58.100 -0.094 0.000 1.463 116 Y CB 0.621 38.826 38.460 -0.425 0.000 1.303 116 Y HN 0.509 nan 8.280 nan 0.000 0.576 117 N N 3.259 122.083 118.700 0.207 0.000 2.240 117 N HA 0.193 4.932 4.740 -0.000 0.000 0.240 117 N C -0.957 174.598 175.510 0.075 0.000 1.277 117 N CA 0.174 53.312 53.050 0.147 0.000 0.873 117 N CB 0.360 38.886 38.487 0.065 0.000 1.222 117 N HN 0.480 nan 8.380 nan 0.000 0.507 118 I N 1.041 121.668 120.570 0.096 0.000 2.607 118 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 118 I C -1.068 175.134 176.117 0.142 0.000 1.129 118 I CA -0.771 60.572 61.300 0.071 0.000 1.042 118 I CB 2.450 40.473 38.000 0.039 0.000 1.242 118 I HN -0.153 nan 8.210 nan 0.000 0.421 119 I N 5.186 125.858 120.570 0.171 0.000 2.478 119 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 119 I C -0.301 175.949 176.117 0.221 0.000 1.042 119 I CA -0.575 60.843 61.300 0.196 0.000 1.067 119 I CB 2.203 40.305 38.000 0.170 0.000 1.233 119 I HN 0.516 nan 8.210 nan 0.000 0.431 120 R N 5.407 126.049 120.500 0.236 0.000 2.297 120 R HA 0.663 5.003 4.340 -0.000 0.000 0.308 120 R C -1.458 175.027 176.300 0.309 0.000 1.029 120 R CA -0.347 55.928 56.100 0.292 0.000 0.929 120 R CB 1.280 31.754 30.300 0.289 0.000 1.046 120 R HN 0.458 nan 8.270 nan 0.000 0.461 121 V N 7.230 127.356 119.914 0.354 0.000 2.407 121 V HA 0.362 4.482 4.120 -0.000 0.000 0.291 121 V C -2.255 173.998 176.094 0.265 0.000 1.018 121 V CA -2.198 60.304 62.300 0.337 0.000 0.842 121 V CB 1.648 33.754 31.823 0.473 0.000 0.996 121 V HN 0.843 nan 8.190 nan 0.000 0.426 122 P HA 0.296 nan 4.420 nan 0.000 0.276 122 P C -0.344 176.997 177.300 0.069 0.000 1.230 122 P CA -0.148 63.072 63.100 0.201 0.000 0.776 122 P CB 0.464 32.128 31.700 -0.060 0.000 0.888 123 M N 3.365 122.933 119.600 -0.052 0.000 2.319 123 M HA 0.442 4.922 4.480 -0.000 0.000 0.343 123 M C 0.558 176.761 176.300 -0.163 0.000 1.364 123 M CA 0.362 55.527 55.300 -0.225 0.000 1.292 123 M CB -0.633 31.639 32.600 -0.548 0.000 1.432 123 M HN 0.609 nan 8.290 nan 0.000 0.448 124 A N 1.501 124.164 122.820 -0.262 0.000 6.031 124 A HA -0.139 4.181 4.320 -0.000 0.000 0.229 124 A C 0.201 177.481 177.584 -0.506 0.000 2.359 124 A CA 0.092 51.781 52.037 -0.581 0.000 0.699 124 A CB -1.676 16.831 19.000 -0.822 0.000 0.885 124 A HN 0.860 nan 8.150 nan 0.000 0.341 125 S N -0.287 114.809 115.700 -1.006 0.000 2.617 125 S HA 0.658 5.128 4.470 -0.000 0.000 0.269 125 S C 0.571 174.887 174.600 -0.473 0.000 1.292 125 S CA 0.326 58.040 58.200 -0.810 0.000 1.010 125 S CB 0.673 63.196 63.200 -1.128 0.000 0.944 125 S HN 2.580 nan 8.310 nan 0.000 0.536 126 C N 0.284 119.319 119.300 -0.442 0.000 3.295 126 C HA 0.648 5.108 4.460 -0.000 0.000 0.370 126 C C 1.286 176.177 174.990 -0.165 0.000 1.974 126 C CA 0.019 58.705 59.018 -0.553 0.000 1.282 126 C CB 0.551 27.385 27.740 -1.510 0.000 2.380 126 C HN 0.876 nan 8.230 nan 0.000 0.443 127 D N 0.616 120.825 120.400 -0.318 0.000 2.219 127 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 127 D C 0.586 176.641 176.300 -0.408 0.000 0.970 127 D CA 1.106 54.817 54.000 -0.482 0.000 0.851 127 D CB -0.445 39.493 40.800 -1.436 0.000 0.943 127 D HN 0.580 nan 8.370 nan 0.000 0.488 128 F N 1.311 121.141 119.950 -0.200 0.000 2.733 128 F HA 0.322 4.849 4.527 -0.000 0.000 0.344 128 F C 0.289 176.013 175.800 -0.127 0.000 1.179 128 F CA -0.079 57.814 58.000 -0.179 0.000 1.316 128 F CB 0.132 38.918 39.000 -0.357 0.000 1.577 128 F HN -0.251 nan 8.300 nan 0.000 0.591 129 S N 0.357 116.085 115.700 0.047 0.000 2.588 129 S HA 0.442 4.911 4.470 -0.000 0.000 0.275 129 S C 0.751 175.408 174.600 0.095 0.000 1.130 129 S CA -0.745 57.486 58.200 0.051 0.000 0.855 129 S CB 1.729 64.906 63.200 -0.037 0.000 1.116 129 S HN 0.409 nan 8.310 nan 0.000 0.472 130 I N -0.651 119.962 120.570 0.072 0.000 3.793 130 I HA 0.394 4.564 4.170 -0.000 0.000 0.315 130 I C 0.471 176.592 176.117 0.006 0.000 1.275 130 I CA -0.056 61.290 61.300 0.077 0.000 1.214 130 I CB -0.144 37.895 38.000 0.065 0.000 1.018 130 I HN 0.516 nan 8.210 nan 0.000 0.439 131 R N 0.681 121.126 120.500 -0.092 0.000 2.733 131 R HA 0.497 4.837 4.340 -0.000 0.000 0.272 131 R C -1.002 175.065 176.300 -0.389 0.000 1.029 131 R CA -0.426 55.541 56.100 -0.221 0.000 0.888 131 R CB 0.728 30.996 30.300 -0.053 0.000 1.251 131 R HN 0.082 nan 8.270 nan 0.000 0.464 132 T N -0.694 113.561 114.554 -0.498 0.000 2.867 132 T HA 0.700 5.050 4.350 -0.000 0.000 0.282 132 T C -0.619 173.964 174.700 -0.196 0.000 1.000 132 T CA -0.517 61.264 62.100 -0.531 0.000 1.042 132 T CB 0.785 69.268 68.868 -0.642 0.000 0.973 132 T HN 0.710 nan 8.240 nan 0.000 0.465 133 Y N -1.360 118.805 120.300 -0.225 0.000 2.717 133 Y HA 0.618 5.168 4.550 -0.000 0.000 0.345 133 Y C -0.708 175.088 175.900 -0.173 0.000 1.187 133 Y CA -1.019 56.986 58.100 -0.158 0.000 1.128 133 Y CB 0.412 38.792 38.460 -0.134 0.000 1.360 133 Y HN 1.025 nan 8.280 nan 0.000 0.467 134 T N -2.304 112.265 114.554 0.025 0.000 2.773 134 T HA 0.440 4.790 4.350 -0.000 0.000 0.278 134 T C -0.337 174.415 174.700 0.087 0.000 1.011 134 T CA -0.677 61.386 62.100 -0.060 0.000 1.014 134 T CB 1.172 70.050 68.868 0.017 0.000 1.293 134 T HN 0.771 nan 8.240 nan 0.000 0.554 135 Y N -0.049 120.376 120.300 0.208 0.000 2.546 135 Y HA 0.476 5.026 4.550 -0.000 0.000 0.287 135 Y C 1.544 177.322 175.900 -0.203 0.000 1.158 135 Y CA -0.143 57.805 58.100 -0.254 0.000 1.307 135 Y CB 0.374 38.229 38.460 -1.009 0.000 1.036 135 Y HN 0.788 nan 8.280 nan 0.000 0.532 136 A N -0.163 122.867 122.820 0.351 0.000 3.266 136 A HA 0.260 4.580 4.320 -0.000 0.000 0.310 136 A C -0.325 177.575 177.584 0.526 0.000 1.066 136 A CA -0.514 51.797 52.037 0.458 0.000 0.839 136 A CB -0.113 19.333 19.000 0.743 0.000 1.192 136 A HN 0.142 nan 8.150 nan 0.000 0.496 137 D N 0.556 121.161 120.400 0.342 0.000 2.355 137 D HA 0.005 4.645 4.640 -0.000 0.000 0.218 137 D C 0.295 176.757 176.300 0.271 0.000 1.004 137 D CA 0.884 55.082 54.000 0.330 0.000 0.880 137 D CB 0.365 41.274 40.800 0.181 0.000 0.911 137 D HN 0.424 nan 8.370 nan 0.000 0.528 138 T N 3.475 118.129 114.554 0.166 0.000 2.784 138 T HA 0.144 4.494 4.350 -0.000 0.000 0.291 138 T C -2.399 172.098 174.700 -0.340 0.000 0.942 138 T CA -1.084 60.999 62.100 -0.029 0.000 1.161 138 T CB 1.147 69.997 68.868 -0.030 0.000 0.885 138 T HN -0.060 nan 8.240 nan 0.000 0.534 139 P HA 0.019 nan 4.420 nan 0.000 0.262 139 P C 0.246 176.918 177.300 -1.047 0.000 1.182 139 P CA 0.263 62.927 63.100 -0.726 0.000 0.761 139 P CB 0.238 31.796 31.700 -0.236 0.000 0.795 140 D N 0.058 119.453 120.400 -1.675 0.000 2.911 140 D HA -0.208 4.431 4.640 -0.000 0.000 0.227 140 D C -0.037 175.503 176.300 -1.267 0.000 1.164 140 D CA 0.960 54.164 54.000 -1.326 0.000 0.782 140 D CB -1.337 39.232 40.800 -0.384 0.000 1.094 140 D HN 0.491 nan 8.370 nan 0.000 0.425 141 D N -0.496 118.934 120.400 -1.617 0.000 2.801 141 D HA 0.103 4.743 4.640 -0.000 0.000 0.232 141 D C 1.129 177.287 176.300 -0.237 0.000 1.128 141 D CA -0.345 53.293 54.000 -0.604 0.000 1.003 141 D CB -0.809 39.823 40.800 -0.281 0.000 1.110 141 D HN 0.140 nan 8.370 nan 0.000 0.477 142 F N 0.190 120.143 119.950 0.004 0.000 2.236 142 F HA -0.169 4.358 4.527 -0.000 0.000 0.302 142 F C 2.386 178.330 175.800 0.241 0.000 1.073 142 F CA 0.816 58.969 58.000 0.255 0.000 1.336 142 F CB 0.003 39.084 39.000 0.134 0.000 1.040 142 F HN 0.274 nan 8.300 nan 0.000 0.507 143 Q N 0.019 120.011 119.800 0.320 0.000 2.472 143 Q HA 0.043 4.383 4.340 -0.000 0.000 0.208 143 Q C 1.157 177.324 176.000 0.278 0.000 0.958 143 Q CA 0.358 56.315 55.803 0.256 0.000 0.932 143 Q CB -0.017 28.833 28.738 0.187 0.000 1.007 143 Q HN 0.520 nan 8.270 nan 0.000 0.508 144 L N 0.740 122.165 121.223 0.335 0.000 3.717 144 L HA -0.304 4.036 4.340 -0.000 0.000 0.414 144 L C 1.147 178.208 176.870 0.318 0.000 1.228 144 L CA 0.303 55.373 54.840 0.384 0.000 0.918 144 L CB -1.664 40.608 42.059 0.354 0.000 1.865 144 L HN 0.331 nan 8.230 nan 0.000 0.922 145 H N 0.822 119.998 119.070 0.178 0.000 2.389 145 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 145 H C 1.610 177.027 175.328 0.150 0.000 1.081 145 H CA 2.157 58.285 56.048 0.133 0.000 1.345 145 H CB 0.296 30.109 29.762 0.084 0.000 1.393 145 H HN 0.433 nan 8.280 nan 0.000 0.520 146 N N 0.181 118.960 118.700 0.131 0.000 2.295 146 N HA -0.019 4.721 4.740 -0.000 0.000 0.221 146 N C -0.696 174.907 175.510 0.154 0.000 1.129 146 N CA -0.123 52.969 53.050 0.070 0.000 0.836 146 N CB -0.244 38.300 38.487 0.095 0.000 1.040 146 N HN 0.232 nan 8.380 nan 0.000 0.494 147 F N 2.646 122.641 119.950 0.073 0.000 2.495 147 F HA 0.189 4.715 4.527 -0.000 0.000 0.365 147 F C 0.546 176.363 175.800 0.028 0.000 1.090 147 F CA -0.137 57.917 58.000 0.091 0.000 1.235 147 F CB 0.522 39.555 39.000 0.054 0.000 1.119 147 F HN -0.024 nan 8.300 nan 0.000 0.562 148 S N 5.837 121.305 115.700 -0.386 0.000 2.565 148 S HA 0.493 4.962 4.470 -0.000 0.000 0.274 148 S C -1.491 172.944 174.600 -0.275 0.000 1.144 148 S CA -1.252 56.831 58.200 -0.195 0.000 0.849 148 S CB 0.815 63.985 63.200 -0.050 0.000 1.103 148 S HN 0.710 nan 8.310 nan 0.000 0.455 149 L N 2.771 123.885 121.223 -0.181 0.000 2.290 149 L HA 0.504 4.844 4.340 -0.000 0.000 0.284 149 L C -1.673 175.178 176.870 -0.032 0.000 1.078 149 L CA -1.613 53.157 54.840 -0.117 0.000 0.815 149 L CB 0.594 42.562 42.059 -0.153 0.000 1.162 149 L HN 0.601 nan 8.230 nan 0.000 0.435 150 P HA 0.156 nan 4.420 nan 0.000 0.293 150 P C 0.142 177.375 177.300 -0.111 0.000 1.304 150 P CA -0.495 62.538 63.100 -0.113 0.000 0.767 150 P CB 0.997 32.516 31.700 -0.301 0.000 1.247 151 E N -0.310 119.810 120.200 -0.134 0.000 2.160 151 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 151 E C 1.629 178.176 176.600 -0.088 0.000 0.991 151 E CA 1.302 57.643 56.400 -0.099 0.000 0.810 151 E CB -0.158 29.489 29.700 -0.089 0.000 0.742 151 E HN 0.455 nan 8.360 nan 0.000 0.466 152 E N 0.805 120.930 120.200 -0.124 0.000 2.171 152 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 152 E C 1.450 178.069 176.600 0.032 0.000 0.997 152 E CA 1.282 57.655 56.400 -0.045 0.000 0.810 152 E CB 0.000 29.674 29.700 -0.045 0.000 0.738 152 E HN 0.316 nan 8.360 nan 0.000 0.467 153 D N -1.169 119.251 120.400 0.034 0.000 2.320 153 D HA -0.045 4.595 4.640 -0.000 0.000 0.228 153 D C 2.042 178.253 176.300 -0.149 0.000 0.978 153 D CA 1.769 55.788 54.000 0.030 0.000 0.905 153 D CB -0.243 40.616 40.800 0.098 0.000 1.051 153 D HN 0.310 nan 8.370 nan 0.000 0.471 154 T N -0.591 113.852 114.554 -0.185 0.000 2.915 154 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 154 T C 1.616 176.257 174.700 -0.098 0.000 1.071 154 T CA 0.782 62.755 62.100 -0.212 0.000 1.132 154 T CB 0.164 68.958 68.868 -0.123 0.000 0.878 154 T HN -0.130 nan 8.240 nan 0.000 0.479 155 K N 0.039 120.400 120.400 -0.065 0.000 2.367 155 K HA 0.459 4.779 4.320 -0.000 0.000 0.195 155 K C 1.667 178.252 176.600 -0.026 0.000 1.060 155 K CA 0.167 56.432 56.287 -0.036 0.000 1.022 155 K CB 0.383 32.864 32.500 -0.031 0.000 0.894 155 K HN 0.393 nan 8.250 nan 0.000 0.540 156 L N -0.164 121.044 121.223 -0.025 0.000 2.919 156 L HA 0.163 4.503 4.340 -0.000 0.000 0.169 156 L C 2.024 178.894 176.870 -0.001 0.000 1.228 156 L CA 0.102 54.938 54.840 -0.007 0.000 0.862 156 L CB -0.256 41.805 42.059 0.004 0.000 1.313 156 L HN -0.170 nan 8.230 nan 0.000 0.526 157 K N 0.790 121.202 120.400 0.021 0.000 1.991 157 K HA -0.110 4.210 4.320 -0.000 0.000 0.212 157 K C 2.024 178.620 176.600 -0.006 0.000 1.049 157 K CA 1.666 57.983 56.287 0.050 0.000 0.932 157 K CB -0.253 32.338 32.500 0.152 0.000 0.717 157 K HN 0.149 nan 8.250 nan 0.000 0.441 158 I N 0.787 121.302 120.570 -0.091 0.000 2.179 158 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 158 I C -0.981 175.041 176.117 -0.158 0.000 1.088 158 I CA 1.184 62.344 61.300 -0.233 0.000 1.357 158 I CB -0.912 36.816 38.000 -0.453 0.000 1.051 158 I HN 0.099 nan 8.210 nan 0.000 0.409 159 P HA -0.148 nan 4.420 nan 0.000 0.217 159 P C 1.925 179.235 177.300 0.017 0.000 1.150 159 P CA 1.394 64.525 63.100 0.052 0.000 0.832 159 P CB 0.041 31.758 31.700 0.028 0.000 0.787 160 L N -1.458 119.752 121.223 -0.022 0.000 2.093 160 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 160 L C 2.365 179.178 176.870 -0.095 0.000 1.085 160 L CA 1.297 56.116 54.840 -0.035 0.000 0.755 160 L CB -0.725 41.325 42.059 -0.014 0.000 0.904 160 L HN -0.054 nan 8.230 nan 0.000 0.435 161 I N -1.137 119.358 120.570 -0.126 0.000 2.226 161 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 161 I C 2.640 178.632 176.117 -0.208 0.000 1.100 161 I CA 0.984 62.163 61.300 -0.202 0.000 1.374 161 I CB -0.512 37.376 38.000 -0.186 0.000 1.057 161 I HN 0.313 nan 8.210 nan 0.000 0.413 162 H N 1.104 120.113 119.070 -0.101 0.000 2.319 162 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 162 H C 2.477 177.741 175.328 -0.107 0.000 1.092 162 H CA 1.471 57.464 56.048 -0.092 0.000 1.302 162 H CB -0.238 29.486 29.762 -0.062 0.000 1.373 162 H HN 0.298 nan 8.280 nan 0.000 0.497 163 R N 0.244 120.760 120.500 0.027 0.000 2.096 163 R HA -0.050 4.289 4.340 -0.000 0.000 0.235 163 R C 2.558 178.796 176.300 -0.103 0.000 1.127 163 R CA 1.042 57.127 56.100 -0.024 0.000 0.968 163 R CB -0.185 30.107 30.300 -0.014 0.000 0.861 163 R HN 0.228 nan 8.270 nan 0.000 0.440 164 A N 1.257 123.925 122.820 -0.254 0.000 1.902 164 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 164 A C 2.142 179.490 177.584 -0.393 0.000 1.181 164 A CA 1.103 52.794 52.037 -0.577 0.000 0.623 164 A CB -0.518 17.683 19.000 -1.332 0.000 0.818 164 A HN 0.168 nan 8.150 nan 0.000 0.443 165 L N -0.857 120.209 121.223 -0.261 0.000 2.201 165 L HA -0.201 4.138 4.340 -0.000 0.000 0.212 165 L C 2.802 179.645 176.870 -0.046 0.000 1.105 165 L CA 1.678 56.445 54.840 -0.122 0.000 0.775 165 L CB -0.603 41.413 42.059 -0.073 0.000 0.913 165 L HN 0.614 nan 8.230 nan 0.000 0.440 166 Q N 0.553 120.332 119.800 -0.035 0.000 2.172 166 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 166 Q C 2.269 178.273 176.000 0.006 0.000 0.964 166 Q CA 0.992 56.790 55.803 -0.008 0.000 0.855 166 Q CB 0.160 28.895 28.738 -0.006 0.000 0.918 166 Q HN 0.534 nan 8.270 nan 0.000 0.444 167 L N 0.314 121.544 121.223 0.011 0.000 2.341 167 L HA 0.168 4.508 4.340 -0.000 0.000 0.214 167 L C 0.954 177.875 176.870 0.085 0.000 1.115 167 L CA -0.089 54.784 54.840 0.055 0.000 0.820 167 L CB -0.159 41.953 42.059 0.089 0.000 0.944 167 L HN 0.088 nan 8.230 nan 0.000 0.452 168 A N 0.021 122.893 122.820 0.088 0.000 2.388 168 A HA 0.069 4.388 4.320 -0.000 0.000 0.257 168 A C 0.968 178.590 177.584 0.063 0.000 1.095 168 A CA -0.166 51.941 52.037 0.116 0.000 0.791 168 A CB 0.704 19.791 19.000 0.145 0.000 1.029 168 A HN 0.330 nan 8.150 nan 0.000 0.489 169 Q N 1.163 120.996 119.800 0.054 0.000 2.396 169 Q HA 0.077 4.417 4.340 -0.000 0.000 0.209 169 Q C 0.309 176.323 176.000 0.024 0.000 0.906 169 Q CA 0.308 56.129 55.803 0.030 0.000 0.927 169 Q CB 0.202 28.952 28.738 0.020 0.000 1.069 169 Q HN 0.783 nan 8.270 nan 0.000 0.523 170 R N 1.236 121.756 120.500 0.032 0.000 2.486 170 R HA 0.396 4.736 4.340 -0.000 0.000 0.286 170 R C -2.514 173.801 176.300 0.026 0.000 0.999 170 R CA -2.036 54.077 56.100 0.022 0.000 0.993 170 R CB 0.877 31.189 30.300 0.020 0.000 1.084 170 R HN 0.049 nan 8.270 nan 0.000 0.487 171 P HA 0.023 nan 4.420 nan 0.000 0.267 171 P C -0.901 176.396 177.300 -0.005 0.000 1.205 171 P CA -0.092 63.007 63.100 -0.002 0.000 0.765 171 P CB 0.678 32.369 31.700 -0.015 0.000 0.828 172 V N 3.487 123.402 119.914 0.001 0.000 2.427 172 V HA 0.268 4.387 4.120 -0.000 0.000 0.286 172 V C 0.352 176.428 176.094 -0.030 0.000 1.034 172 V CA -0.182 62.124 62.300 0.009 0.000 0.893 172 V CB 1.584 33.427 31.823 0.033 0.000 0.982 172 V HN 0.465 nan 8.190 nan 0.000 0.452 173 S N 5.586 121.254 115.700 -0.053 0.000 2.462 173 S HA 0.652 5.122 4.470 -0.000 0.000 0.294 173 S C -0.380 174.264 174.600 0.074 0.000 1.144 173 S CA -0.494 57.686 58.200 -0.035 0.000 1.088 173 S CB 0.830 63.855 63.200 -0.291 0.000 1.009 173 S HN 0.487 nan 8.310 nan 0.000 0.484 174 L N 3.472 124.739 121.223 0.073 0.000 2.307 174 L HA 0.598 4.938 4.340 -0.000 0.000 0.282 174 L C -0.677 176.440 176.870 0.412 0.000 1.051 174 L CA -0.850 54.007 54.840 0.028 0.000 0.804 174 L CB 0.971 42.636 42.059 -0.657 0.000 1.197 174 L HN 0.411 nan 8.230 nan 0.000 0.431 175 L N 3.298 124.815 121.223 0.490 0.000 2.376 175 L HA 0.791 5.131 4.340 -0.000 0.000 0.275 175 L C -0.454 176.654 176.870 0.397 0.000 0.987 175 L CA -0.176 54.926 54.840 0.436 0.000 0.828 175 L CB 1.538 43.809 42.059 0.353 0.000 1.249 175 L HN 0.648 nan 8.230 nan 0.000 0.409 176 A N 3.284 126.213 122.820 0.181 0.000 2.324 176 A HA 0.918 5.238 4.320 -0.000 0.000 0.330 176 A C -0.686 176.841 177.584 -0.095 0.000 1.165 176 A CA -0.417 51.575 52.037 -0.075 0.000 0.813 176 A CB 1.035 19.684 19.000 -0.585 0.000 1.197 176 A HN 0.714 nan 8.150 nan 0.000 0.484 177 S N 2.920 118.593 115.700 -0.045 0.000 2.572 177 S HA 0.686 5.156 4.470 -0.000 0.000 0.274 177 S C -3.110 171.537 174.600 0.078 0.000 1.150 177 S CA -0.817 57.372 58.200 -0.019 0.000 0.944 177 S CB 2.362 65.556 63.200 -0.011 0.000 1.071 177 S HN 0.662 nan 8.310 nan 0.000 0.479 178 P HA 0.332 nan 4.420 nan 0.000 0.293 178 P C -0.029 177.410 177.300 0.231 0.000 1.291 178 P CA -0.704 62.475 63.100 0.132 0.000 0.867 178 P CB 1.407 33.117 31.700 0.017 0.000 1.074 179 W N 0.846 122.153 121.300 0.011 0.000 2.678 179 W HA 0.053 4.713 4.660 -0.000 0.000 0.282 179 W C 0.752 177.261 176.519 -0.017 0.000 1.137 179 W CA 0.684 58.059 57.345 0.050 0.000 1.515 179 W CB 0.424 29.956 29.460 0.121 0.000 1.101 179 W HN 0.252 nan 8.180 nan 0.000 0.564 180 T N 0.000 114.641 114.554 0.145 0.000 2.906 180 T HA 0.362 4.712 4.350 -0.000 0.000 0.295 180 T C -0.242 174.255 174.700 -0.338 0.000 1.075 180 T CA -0.399 61.629 62.100 -0.120 0.000 1.005 180 T CB 1.633 70.440 68.868 -0.102 0.000 1.136 180 T HN -0.062 nan 8.240 nan 0.000 0.498 181 S N 3.048 118.303 115.700 -0.742 0.000 2.722 181 S HA 0.755 5.224 4.470 -0.000 0.000 0.292 181 S C -2.829 171.342 174.600 -0.714 0.000 1.135 181 S CA -1.423 56.062 58.200 -1.192 0.000 1.003 181 S CB 0.829 62.841 63.200 -1.979 0.000 1.067 181 S HN 0.503 nan 8.310 nan 0.000 0.546 182 P HA 0.071 nan 4.420 nan 0.000 0.267 182 P C 1.176 178.074 177.300 -0.670 0.000 1.201 182 P CA 0.161 62.907 63.100 -0.589 0.000 0.775 182 P CB 0.293 31.465 31.700 -0.881 0.000 0.854 183 T N -1.384 112.949 114.554 -0.369 0.000 2.915 183 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 183 T C 1.321 175.913 174.700 -0.179 0.000 1.071 183 T CA 0.767 62.727 62.100 -0.233 0.000 1.132 183 T CB -0.773 68.057 68.868 -0.064 0.000 0.878 183 T HN 0.550 nan 8.240 nan 0.000 0.479 184 W N 1.088 122.338 121.300 -0.083 0.000 2.825 184 W HA 0.301 4.960 4.660 -0.000 0.000 0.243 184 W C 0.925 177.434 176.519 -0.017 0.000 1.293 184 W CA -0.359 56.954 57.345 -0.052 0.000 1.403 184 W CB -0.935 28.483 29.460 -0.070 0.000 1.134 184 W HN 0.279 nan 8.180 nan 0.000 0.666 185 L N 0.626 121.595 121.223 -0.423 0.000 2.585 185 L HA 0.189 4.529 4.340 -0.000 0.000 0.226 185 L C 0.660 177.316 176.870 -0.356 0.000 1.113 185 L CA 0.490 55.145 54.840 -0.308 0.000 0.876 185 L CB -0.142 41.551 42.059 -0.610 0.000 1.072 185 L HN -0.263 nan 8.230 nan 0.000 0.468 186 K N -0.451 119.743 120.400 -0.344 0.000 2.156 186 K HA 0.228 4.548 4.320 -0.000 0.000 0.254 186 K C 1.184 177.637 176.600 -0.245 0.000 0.950 186 K CA -0.064 56.020 56.287 -0.339 0.000 0.849 186 K CB 1.696 33.996 32.500 -0.334 0.000 1.100 186 K HN -0.099 nan 8.250 nan 0.000 0.434 187 T N -1.918 112.487 114.554 -0.248 0.000 2.915 187 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 187 T C 1.149 175.772 174.700 -0.129 0.000 1.071 187 T CA 1.299 63.288 62.100 -0.185 0.000 1.132 187 T CB -0.242 68.522 68.868 -0.175 0.000 0.878 187 T HN 0.666 nan 8.240 nan 0.000 0.479 188 N N 1.199 119.821 118.700 -0.131 0.000 2.236 188 N HA 0.159 4.899 4.740 -0.000 0.000 0.196 188 N C 1.488 176.956 175.510 -0.071 0.000 1.114 188 N CA 0.555 53.550 53.050 -0.090 0.000 0.859 188 N CB -0.473 37.961 38.487 -0.089 0.000 0.982 188 N HN 0.588 nan 8.380 nan 0.000 0.493 189 G N 0.045 108.796 108.800 -0.082 0.000 2.321 189 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.287 189 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.287 189 G C 0.029 174.903 174.900 -0.044 0.000 1.018 189 G CA 0.591 45.662 45.100 -0.049 0.000 0.855 189 G HN 0.902 nan 8.290 nan 0.000 0.507 190 A N -1.705 121.073 122.820 -0.069 0.000 2.539 190 A HA 0.861 5.180 4.320 -0.000 0.000 0.296 190 A C 1.149 178.694 177.584 -0.066 0.000 1.073 190 A CA 0.275 52.284 52.037 -0.046 0.000 0.700 190 A CB 1.158 20.147 19.000 -0.019 0.000 1.296 190 A HN 1.502 nan 8.150 nan 0.000 0.405 191 V N -0.635 119.255 119.914 -0.040 0.000 2.626 191 V HA 0.008 4.128 4.120 -0.000 0.000 0.252 191 V C 0.690 176.808 176.094 0.040 0.000 1.067 191 V CA 1.927 64.206 62.300 -0.036 0.000 1.081 191 V CB -1.538 30.261 31.823 -0.039 0.000 0.686 191 V HN 0.942 nan 8.190 nan 0.000 0.468 192 N N 0.320 119.070 118.700 0.082 0.000 2.989 192 N HA 0.678 5.418 4.740 -0.000 0.000 0.338 192 N C 0.414 175.947 175.510 0.039 0.000 1.369 192 N CA 0.167 53.283 53.050 0.109 0.000 0.794 192 N CB 0.569 39.159 38.487 0.172 0.000 1.359 192 N HN 0.924 nan 8.380 nan 0.000 0.609 193 G N -0.701 108.127 108.800 0.047 0.000 2.782 193 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.228 193 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.228 193 G C -0.937 173.951 174.900 -0.020 0.000 1.372 193 G CA -0.180 44.927 45.100 0.013 0.000 0.862 193 G HN 0.875 nan 8.290 nan 0.000 0.547 194 K N 0.471 120.847 120.400 -0.040 0.000 2.349 194 K HA 0.564 4.884 4.320 -0.000 0.000 0.288 194 K C 0.475 177.013 176.600 -0.104 0.000 1.058 194 K CA 0.426 56.668 56.287 -0.074 0.000 0.953 194 K CB 0.076 32.539 32.500 -0.061 0.000 0.997 194 K HN 1.843 nan 8.250 nan 0.000 0.477 195 G N 1.806 110.517 108.800 -0.149 0.000 2.473 195 G HA2 0.267 4.227 3.960 -0.000 0.000 0.298 195 G HA3 0.267 4.227 3.960 -0.000 0.000 0.298 195 G C -1.363 173.372 174.900 -0.276 0.000 1.575 195 G CA -0.592 44.395 45.100 -0.188 0.000 0.846 195 G HN 0.655 nan 8.290 nan 0.000 0.585 196 S N 0.343 115.854 115.700 -0.314 0.000 2.810 196 S HA 0.821 5.291 4.470 -0.000 0.000 0.315 196 S C 0.032 174.335 174.600 -0.495 0.000 1.138 196 S CA -1.003 56.910 58.200 -0.478 0.000 0.889 196 S CB 1.079 64.044 63.200 -0.391 0.000 1.236 196 S HN 0.753 nan 8.310 nan 0.000 0.548 197 L N 1.401 122.235 121.223 -0.648 0.000 2.485 197 L HA 0.252 4.592 4.340 -0.000 0.000 0.275 197 L C 0.616 177.270 176.870 -0.360 0.000 1.207 197 L CA -0.200 54.281 54.840 -0.599 0.000 0.855 197 L CB 0.200 41.737 42.059 -0.871 0.000 1.114 197 L HN 0.669 nan 8.230 nan 0.000 0.485 198 K N 1.464 121.603 120.400 -0.435 0.000 2.180 198 K HA 0.417 4.736 4.320 -0.000 0.000 0.251 198 K C 0.755 177.215 176.600 -0.233 0.000 1.014 198 K CA 0.377 56.356 56.287 -0.513 0.000 0.913 198 K CB 0.496 32.322 32.500 -1.124 0.000 1.008 198 K HN 0.804 nan 8.250 nan 0.000 0.490 199 G N 0.706 109.424 108.800 -0.137 0.000 2.547 199 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.271 199 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.271 199 G C -0.970 174.003 174.900 0.122 0.000 1.209 199 G CA 0.387 45.548 45.100 0.101 0.000 0.959 199 G HN 0.737 nan 8.290 nan 0.000 0.563 200 Q N -1.200 118.624 119.800 0.041 0.000 2.462 200 Q HA 0.651 4.991 4.340 -0.000 0.000 0.285 200 Q C -3.198 172.363 176.000 -0.732 0.000 1.035 200 Q CA -2.133 53.499 55.803 -0.286 0.000 0.799 200 Q CB 2.323 30.957 28.738 -0.173 0.000 1.452 200 Q HN 0.428 nan 8.270 nan 0.000 0.404 201 P HA -0.064 nan 4.420 nan 0.000 0.263 201 P C 0.646 177.832 177.300 -0.190 0.000 1.168 201 P CA 2.465 65.274 63.100 -0.485 0.000 0.759 201 P CB 0.259 31.908 31.700 -0.086 0.000 0.782 202 G N 1.781 110.569 108.800 -0.019 0.000 2.258 202 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.233 202 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.233 202 G C 0.215 175.158 174.900 0.072 0.000 1.006 202 G CA 0.315 45.435 45.100 0.033 0.000 0.620 202 G HN 0.714 nan 8.290 nan 0.000 0.511 203 D N 0.273 120.728 120.400 0.093 0.000 2.447 203 D HA 0.422 5.061 4.640 -0.000 0.000 0.265 203 D C 1.868 178.281 176.300 0.188 0.000 1.250 203 D CA -0.276 53.806 54.000 0.138 0.000 1.046 203 D CB 0.133 41.042 40.800 0.182 0.000 1.095 203 D HN 0.292 nan 8.370 nan 0.000 0.555 204 I N -0.773 119.834 120.570 0.061 0.000 2.264 204 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 204 I C 1.628 177.811 176.117 0.110 0.000 1.111 204 I CA 1.239 62.511 61.300 -0.046 0.000 1.382 204 I CB -0.083 37.668 38.000 -0.414 0.000 1.060 204 I HN 0.332 nan 8.210 nan 0.000 0.418 205 Y N 0.016 120.516 120.300 0.333 0.000 2.163 205 Y HA -0.274 4.276 4.550 -0.000 0.000 0.288 205 Y C 2.570 178.649 175.900 0.300 0.000 1.136 205 Y CA 1.951 60.263 58.100 0.353 0.000 1.147 205 Y CB -0.801 37.794 38.460 0.225 0.000 0.987 205 Y HN 0.254 nan 8.280 nan 0.000 0.509 206 H N -0.789 118.540 119.070 0.432 0.000 2.389 206 H HA -0.114 4.441 4.556 -0.000 0.000 0.299 206 H C 2.044 177.671 175.328 0.499 0.000 1.081 206 H CA 1.414 57.749 56.048 0.479 0.000 1.345 206 H CB -0.097 29.950 29.762 0.475 0.000 1.393 206 H HN 0.250 nan 8.280 nan 0.000 0.520 207 Q N -0.202 119.875 119.800 0.462 0.000 2.123 207 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 207 Q C 2.122 178.328 176.000 0.344 0.000 0.966 207 Q CA 1.449 57.446 55.803 0.323 0.000 0.845 207 Q CB -0.245 28.620 28.738 0.212 0.000 0.907 207 Q HN 0.481 nan 8.270 nan 0.000 0.439 208 T N 0.588 115.386 114.554 0.407 0.000 2.746 208 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 208 T C 1.246 176.253 174.700 0.513 0.000 1.039 208 T CA 0.890 63.262 62.100 0.454 0.000 1.142 208 T CB -0.387 68.813 68.868 0.554 0.000 0.866 208 T HN 0.503 nan 8.240 nan 0.000 0.444 209 W N 1.693 123.159 121.300 0.276 0.000 2.358 209 W HA -0.158 4.502 4.660 -0.000 0.000 0.303 209 W C 2.543 179.370 176.519 0.514 0.000 1.208 209 W CA 0.884 58.389 57.345 0.266 0.000 1.274 209 W CB -0.203 29.319 29.460 0.104 0.000 1.138 209 W HN 0.291 nan 8.180 nan 0.000 0.515 210 A N 1.037 124.108 122.820 0.419 0.000 1.902 210 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 210 A C 1.956 179.624 177.584 0.141 0.000 1.181 210 A CA 1.647 53.769 52.037 0.141 0.000 0.623 210 A CB -0.887 18.136 19.000 0.039 0.000 0.818 210 A HN 0.359 nan 8.150 nan 0.000 0.443 211 R N -2.323 118.294 120.500 0.195 0.000 2.148 211 R HA -0.109 4.231 4.340 -0.000 0.000 0.227 211 R C 2.013 178.389 176.300 0.127 0.000 1.103 211 R CA 1.302 57.486 56.100 0.140 0.000 0.983 211 R CB -0.443 29.948 30.300 0.151 0.000 0.874 211 R HN 0.745 nan 8.270 nan 0.000 0.451 212 Y N 0.569 120.908 120.300 0.065 0.000 2.165 212 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 212 Y C 1.719 177.558 175.900 -0.102 0.000 1.155 212 Y CA 1.523 59.625 58.100 0.004 0.000 1.164 212 Y CB -0.188 38.321 38.460 0.081 0.000 0.978 212 Y HN -0.125 nan 8.280 nan 0.000 0.513 213 F N -0.790 119.112 119.950 -0.080 0.000 2.095 213 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 213 F C 2.374 178.109 175.800 -0.108 0.000 1.104 213 F CA 1.762 59.686 58.000 -0.126 0.000 1.232 213 F CB -1.104 37.760 39.000 -0.228 0.000 0.987 213 F HN -0.125 nan 8.300 nan 0.000 0.475 214 V N 0.029 119.991 119.914 0.081 0.000 2.343 214 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 214 V C 2.416 178.438 176.094 -0.120 0.000 1.051 214 V CA 1.615 63.924 62.300 0.015 0.000 1.036 214 V CB -0.594 31.263 31.823 0.058 0.000 0.654 214 V HN 0.226 nan 8.190 nan 0.000 0.451 215 K N -0.333 119.876 120.400 -0.320 0.000 2.097 215 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 215 K C 2.069 178.332 176.600 -0.562 0.000 1.049 215 K CA 1.647 57.520 56.287 -0.690 0.000 0.933 215 K CB -0.692 30.849 32.500 -1.597 0.000 0.717 215 K HN 0.539 nan 8.250 nan 0.000 0.442 216 F N 1.970 121.628 119.950 -0.486 0.000 2.102 216 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 216 F C 1.975 177.667 175.800 -0.180 0.000 1.105 216 F CA 1.182 59.070 58.000 -0.186 0.000 1.239 216 F CB -0.341 38.532 39.000 -0.212 0.000 0.991 216 F HN -0.141 nan 8.300 nan 0.000 0.474 217 L N 0.045 121.044 121.223 -0.374 0.000 2.083 217 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 217 L C 2.154 178.792 176.870 -0.387 0.000 1.083 217 L CA 1.301 55.794 54.840 -0.578 0.000 0.752 217 L CB -0.871 40.672 42.059 -0.860 0.000 0.899 217 L HN 0.122 nan 8.230 nan 0.000 0.433 218 D N 0.335 120.637 120.400 -0.163 0.000 2.097 218 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 218 D C 2.261 178.571 176.300 0.016 0.000 0.989 218 D CA 1.550 55.591 54.000 0.068 0.000 0.827 218 D CB -0.049 40.781 40.800 0.050 0.000 0.966 218 D HN 0.296 nan 8.370 nan 0.000 0.456 219 A N 0.107 122.910 122.820 -0.029 0.000 1.902 219 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 219 A C 2.087 179.711 177.584 0.067 0.000 1.181 219 A CA 1.156 53.217 52.037 0.040 0.000 0.623 219 A CB -0.999 18.048 19.000 0.078 0.000 0.818 219 A HN 0.215 nan 8.150 nan 0.000 0.443 220 Y N -0.208 119.959 120.300 -0.223 0.000 2.314 220 Y HA 0.011 4.561 4.550 -0.000 0.000 0.293 220 Y C 2.836 178.745 175.900 0.015 0.000 1.129 220 Y CA 0.517 58.543 58.100 -0.123 0.000 1.201 220 Y CB -0.456 37.881 38.460 -0.205 0.000 0.999 220 Y HN 0.335 nan 8.280 nan 0.000 0.541 221 A N -0.075 122.825 122.820 0.133 0.000 1.930 221 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 221 A C 2.020 179.646 177.584 0.070 0.000 1.175 221 A CA 1.704 53.816 52.037 0.125 0.000 0.627 221 A CB -0.561 18.550 19.000 0.186 0.000 0.815 221 A HN 0.494 nan 8.150 nan 0.000 0.443 222 E N -0.873 119.350 120.200 0.038 0.000 2.204 222 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 222 E C 0.902 177.410 176.600 -0.154 0.000 0.990 222 E CA 0.892 57.258 56.400 -0.056 0.000 0.821 222 E CB -0.147 29.505 29.700 -0.079 0.000 0.750 222 E HN 0.703 nan 8.360 nan 0.000 0.477 223 H N 0.203 119.242 119.070 -0.052 0.000 2.537 223 H HA 0.172 4.727 4.556 -0.000 0.000 0.295 223 H C -0.182 175.195 175.328 0.082 0.000 1.054 223 H CA 0.165 56.195 56.048 -0.029 0.000 1.156 223 H CB 0.228 29.890 29.762 -0.167 0.000 1.468 223 H HN 0.040 nan 8.280 nan 0.000 0.551 224 K N 0.692 121.163 120.400 0.119 0.000 3.096 224 K HA -0.167 4.153 4.320 -0.000 0.000 0.266 224 K C -0.739 175.957 176.600 0.161 0.000 1.043 224 K CA 0.296 56.659 56.287 0.127 0.000 0.758 224 K CB -1.429 31.129 32.500 0.096 0.000 1.260 224 K HN 0.295 nan 8.250 nan 0.000 0.481 225 L N 1.254 122.538 121.223 0.103 0.000 2.376 225 L HA 0.313 4.653 4.340 -0.000 0.000 0.275 225 L C -0.013 176.875 176.870 0.031 0.000 0.987 225 L CA -0.877 53.973 54.840 0.018 0.000 0.828 225 L CB 1.758 43.807 42.059 -0.016 0.000 1.249 225 L HN 0.030 nan 8.230 nan 0.000 0.409 226 Q N 2.561 122.332 119.800 -0.048 0.000 2.306 226 Q HA 0.548 4.888 4.340 -0.000 0.000 0.265 226 Q C -1.150 174.772 176.000 -0.130 0.000 1.022 226 Q CA -0.535 55.278 55.803 0.016 0.000 0.853 226 Q CB 2.935 31.701 28.738 0.047 0.000 1.327 226 Q HN 0.306 nan 8.270 nan 0.000 0.449 227 F N 0.282 120.253 119.950 0.035 0.000 2.422 227 F HA 0.187 4.713 4.527 -0.000 0.000 0.333 227 F C 0.918 176.765 175.800 0.079 0.000 1.095 227 F CA -0.720 57.314 58.000 0.057 0.000 1.038 227 F CB 0.928 39.935 39.000 0.011 0.000 1.156 227 F HN 0.707 nan 8.300 nan 0.000 0.483 228 W N 3.410 124.761 121.300 0.085 0.000 2.453 228 W HA 0.492 5.152 4.660 -0.000 0.000 0.289 228 W C -0.191 176.330 176.519 0.003 0.000 1.215 228 W CA 0.927 58.274 57.345 0.004 0.000 1.297 228 W CB -0.018 29.414 29.460 -0.046 0.000 1.113 228 W HN 0.472 nan 8.180 nan 0.000 0.551 229 A N 0.017 122.606 122.820 -0.384 0.000 2.564 229 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 229 A C -1.287 176.135 177.584 -0.269 0.000 1.102 229 A CA -0.214 51.437 52.037 -0.645 0.000 0.660 229 A CB 0.736 18.844 19.000 -1.487 0.000 1.283 229 A HN 0.634 nan 8.150 nan 0.000 0.430 230 V N -1.940 117.811 119.914 -0.272 0.000 3.114 230 V HA 0.949 5.069 4.120 -0.000 0.000 0.308 230 V C -0.224 175.784 176.094 -0.143 0.000 1.168 230 V CA 0.072 62.286 62.300 -0.143 0.000 1.015 230 V CB 1.385 33.188 31.823 -0.034 0.000 1.050 230 V HN 1.841 nan 8.190 nan 0.000 0.433 231 T N -0.026 114.483 114.554 -0.074 0.000 2.943 231 T HA 0.747 5.097 4.350 -0.000 0.000 0.284 231 T C 1.120 175.815 174.700 -0.008 0.000 1.015 231 T CA -0.054 61.989 62.100 -0.094 0.000 1.042 231 T CB 1.689 70.482 68.868 -0.124 0.000 1.055 231 T HN 1.727 nan 8.240 nan 0.000 0.500 232 A N 0.611 123.381 122.820 -0.084 0.000 2.121 232 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 232 A C 0.820 178.426 177.584 0.037 0.000 1.154 232 A CA 1.376 53.373 52.037 -0.068 0.000 0.679 232 A CB -0.845 18.059 19.000 -0.159 0.000 0.795 232 A HN 1.068 nan 8.150 nan 0.000 0.458 233 E N -2.060 118.110 120.200 -0.050 0.000 2.972 233 E HA 0.123 4.473 4.350 -0.000 0.000 0.311 233 E C -1.329 175.110 176.600 -0.268 0.000 1.132 233 E CA -0.296 56.061 56.400 -0.071 0.000 0.912 233 E CB -0.345 29.286 29.700 -0.116 0.000 1.174 233 E HN 0.194 nan 8.360 nan 0.000 0.462 234 N N 2.910 121.365 118.700 -0.407 0.000 2.470 234 N HA 0.178 4.918 4.740 -0.000 0.000 0.268 234 N C -0.780 174.376 175.510 -0.590 0.000 1.136 234 N CA 0.455 53.082 53.050 -0.705 0.000 0.961 234 N CB 0.477 38.040 38.487 -1.540 0.000 1.067 234 N HN 0.553 nan 8.380 nan 0.000 0.468 235 E N 1.974 121.816 120.200 -0.598 0.000 2.131 235 E HA -0.195 4.154 4.350 -0.000 0.000 0.166 235 E C -1.641 174.719 176.600 -0.400 0.000 1.514 235 E CA 0.078 56.171 56.400 -0.513 0.000 0.646 235 E CB -0.599 28.882 29.700 -0.365 0.000 1.051 235 E HN 0.695 nan 8.360 nan 0.000 0.315 236 P HA -0.259 nan 4.420 nan 0.000 0.218 236 P C 1.478 178.733 177.300 -0.074 0.000 1.148 236 P CA 1.861 64.910 63.100 -0.084 0.000 0.822 236 P CB 0.050 31.803 31.700 0.090 0.000 0.784 237 S N -0.023 115.565 115.700 -0.187 0.000 2.442 237 S HA -0.045 4.425 4.470 -0.000 0.000 0.236 237 S C 2.221 176.674 174.600 -0.246 0.000 1.007 237 S CA 0.962 59.096 58.200 -0.110 0.000 0.965 237 S CB -1.256 61.854 63.200 -0.150 0.000 0.773 237 S HN 0.156 nan 8.310 nan 0.000 0.504 238 A N 1.903 124.461 122.820 -0.436 0.000 1.933 238 A HA 0.219 4.539 4.320 -0.000 0.000 0.218 238 A C 2.291 179.429 177.584 -0.744 0.000 1.175 238 A CA 1.342 52.876 52.037 -0.838 0.000 0.628 238 A CB -1.580 16.631 19.000 -1.315 0.000 0.814 238 A HN 0.679 nan 8.150 nan 0.000 0.444 239 G N -0.853 107.676 108.800 -0.453 0.000 2.776 239 G HA2 0.154 4.113 3.960 -0.000 0.000 0.209 239 G HA3 0.154 4.113 3.960 -0.000 0.000 0.209 239 G C 1.112 175.889 174.900 -0.205 0.000 1.145 239 G CA 0.510 45.430 45.100 -0.300 0.000 0.791 239 G HN 0.455 nan 8.290 nan 0.000 0.530 240 L N -0.326 120.790 121.223 -0.179 0.000 2.585 240 L HA 0.364 4.704 4.340 -0.000 0.000 0.226 240 L C 0.438 177.255 176.870 -0.088 0.000 1.113 240 L CA -0.074 54.704 54.840 -0.103 0.000 0.876 240 L CB 0.136 42.166 42.059 -0.049 0.000 1.072 240 L HN 0.062 nan 8.230 nan 0.000 0.468 241 L N 0.987 122.143 121.223 -0.111 0.000 2.257 241 L HA 0.240 4.580 4.340 -0.000 0.000 0.290 241 L C 0.650 177.513 176.870 -0.012 0.000 1.044 241 L CA -0.431 54.380 54.840 -0.048 0.000 0.810 241 L CB 1.338 43.386 42.059 -0.019 0.000 1.193 241 L HN 0.117 nan 8.230 nan 0.000 0.425 242 S N 1.504 117.194 115.700 -0.017 0.000 2.549 242 S HA 0.342 4.812 4.470 -0.000 0.000 0.286 242 S C 1.210 175.807 174.600 -0.005 0.000 1.314 242 S CA 0.007 58.197 58.200 -0.016 0.000 1.062 242 S CB 1.126 64.312 63.200 -0.023 0.000 0.865 242 S HN 1.052 nan 8.310 nan 0.000 0.498 243 G N 0.767 109.561 108.800 -0.009 0.000 2.159 243 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.256 243 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.256 243 G C -0.116 174.756 174.900 -0.047 0.000 0.977 243 G CA 0.213 45.295 45.100 -0.029 0.000 0.652 243 G HN 1.023 nan 8.290 nan 0.000 0.531 244 Y N 2.639 122.852 120.300 -0.144 0.000 2.802 244 Y HA 0.210 4.760 4.550 -0.000 0.000 0.333 244 Y C 0.238 176.004 175.900 -0.224 0.000 1.244 244 Y CA -0.510 57.457 58.100 -0.221 0.000 1.558 244 Y CB 0.849 39.152 38.460 -0.262 0.000 1.233 244 Y HN 0.122 nan 8.280 nan 0.000 0.547 245 P HA -0.195 nan 4.420 nan 0.000 0.216 245 P C -0.199 176.918 177.300 -0.306 0.000 1.150 245 P CA 1.615 64.428 63.100 -0.479 0.000 0.837 245 P CB -0.063 31.346 31.700 -0.486 0.000 0.786 246 F N -2.522 117.271 119.950 -0.260 0.000 2.740 246 F HA 0.672 5.199 4.527 -0.000 0.000 0.357 246 F C -0.182 175.820 175.800 0.337 0.000 1.141 246 F CA -2.161 55.884 58.000 0.075 0.000 1.044 246 F CB -0.572 38.399 39.000 -0.049 0.000 1.430 246 F HN -0.434 nan 8.300 nan 0.000 0.518 247 Q N 0.976 121.221 119.800 0.741 0.000 2.398 247 Q HA 0.358 4.698 4.340 -0.000 0.000 0.329 247 Q C -0.328 175.963 176.000 0.484 0.000 1.079 247 Q CA 0.735 56.834 55.803 0.492 0.000 1.041 247 Q CB -0.005 28.972 28.738 0.397 0.000 1.084 247 Q HN 0.862 nan 8.270 nan 0.000 0.386 248 C N 0.468 119.885 119.300 0.195 0.000 3.320 248 C HA 0.865 5.325 4.460 -0.000 0.000 0.335 248 C C -1.680 173.245 174.990 -0.107 0.000 1.430 248 C CA -1.267 57.766 59.018 0.024 0.000 1.271 248 C CB 0.859 28.525 27.740 -0.124 0.000 1.609 248 C HN 0.791 nan 8.230 nan 0.000 0.457 249 L N 1.888 123.011 121.223 -0.167 0.000 2.620 249 L HA 0.692 5.032 4.340 -0.000 0.000 0.261 249 L C 0.205 176.935 176.870 -0.234 0.000 0.978 249 L CA 0.434 55.113 54.840 -0.269 0.000 0.897 249 L CB 1.048 42.937 42.059 -0.283 0.000 1.207 249 L HN 1.395 nan 8.230 nan 0.000 0.425 250 G N 3.249 111.852 108.800 -0.328 0.000 2.398 250 G HA2 0.439 4.399 3.960 -0.000 0.000 0.246 250 G HA3 0.439 4.399 3.960 -0.000 0.000 0.246 250 G C -1.089 173.570 174.900 -0.401 0.000 1.289 250 G CA 0.095 45.042 45.100 -0.255 0.000 0.869 250 G HN 0.404 nan 8.290 nan 0.000 0.543 251 F N 0.293 120.190 119.950 -0.089 0.000 2.574 251 F HA 0.389 4.916 4.527 -0.000 0.000 0.313 251 F C 0.785 176.652 175.800 0.112 0.000 1.130 251 F CA -0.742 57.223 58.000 -0.058 0.000 0.936 251 F CB 2.458 41.423 39.000 -0.058 0.000 1.219 251 F HN 0.656 nan 8.300 nan 0.000 0.445 252 T N -0.083 114.599 114.554 0.214 0.000 2.874 252 T HA 0.294 4.644 4.350 -0.000 0.000 0.281 252 T C -1.909 172.574 174.700 -0.362 0.000 0.994 252 T CA -1.845 60.260 62.100 0.008 0.000 1.015 252 T CB 1.552 70.412 68.868 -0.012 0.000 1.028 252 T HN 0.339 nan 8.240 nan 0.000 0.523 253 P HA -0.096 nan 4.420 nan 0.000 0.218 253 P C 0.936 177.908 177.300 -0.548 0.000 1.148 253 P CA 1.136 63.373 63.100 -1.439 0.000 0.822 253 P CB 0.177 30.857 31.700 -1.700 0.000 0.784 254 E N -1.176 118.836 120.200 -0.313 0.000 2.072 254 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 254 E C 2.251 178.866 176.600 0.025 0.000 0.985 254 E CA 0.967 57.288 56.400 -0.132 0.000 0.801 254 E CB -1.154 28.489 29.700 -0.095 0.000 0.750 254 E HN 0.338 nan 8.360 nan 0.000 0.452 255 H N 0.695 119.757 119.070 -0.014 0.000 2.353 255 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 255 H C 2.019 177.535 175.328 0.313 0.000 1.090 255 H CA 1.953 58.098 56.048 0.162 0.000 1.327 255 H CB -0.025 29.847 29.762 0.183 0.000 1.383 255 H HN 0.242 nan 8.280 nan 0.000 0.508 256 Q N 0.317 120.303 119.800 0.310 0.000 2.084 256 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 256 Q C 2.601 178.665 176.000 0.107 0.000 0.978 256 Q CA 1.497 57.381 55.803 0.135 0.000 0.844 256 Q CB 0.007 28.762 28.738 0.028 0.000 0.898 256 Q HN 0.355 nan 8.270 nan 0.000 0.426 257 R N 0.122 120.638 120.500 0.026 0.000 2.080 257 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 257 R C 1.367 177.693 176.300 0.043 0.000 1.137 257 R CA 2.102 58.195 56.100 -0.011 0.000 0.943 257 R CB -0.267 29.993 30.300 -0.066 0.000 0.846 257 R HN 0.374 nan 8.270 nan 0.000 0.431 258 D N -0.146 120.317 120.400 0.105 0.000 2.144 258 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 258 D C 1.625 178.038 176.300 0.188 0.000 0.978 258 D CA 0.853 54.920 54.000 0.112 0.000 0.833 258 D CB -0.349 40.502 40.800 0.086 0.000 0.961 258 D HN 0.226 nan 8.370 nan 0.000 0.470 259 F N 1.661 121.724 119.950 0.189 0.000 2.171 259 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 259 F C 2.044 177.859 175.800 0.024 0.000 1.090 259 F CA 0.913 59.049 58.000 0.227 0.000 1.293 259 F CB -0.359 38.863 39.000 0.369 0.000 1.013 259 F HN -0.144 nan 8.300 nan 0.000 0.486 260 I N 0.052 120.458 120.570 -0.273 0.000 2.233 260 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 260 I C 2.703 178.599 176.117 -0.367 0.000 1.093 260 I CA 1.117 62.143 61.300 -0.457 0.000 1.380 260 I CB -0.993 36.862 38.000 -0.241 0.000 1.067 260 I HN 0.204 nan 8.210 nan 0.000 0.413 261 A N 1.105 123.844 122.820 -0.135 0.000 1.877 261 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 261 A C 2.406 179.933 177.584 -0.094 0.000 1.186 261 A CA 1.507 53.533 52.037 -0.019 0.000 0.620 261 A CB -0.486 18.537 19.000 0.039 0.000 0.822 261 A HN 0.323 nan 8.150 nan 0.000 0.443 262 R N -0.956 119.489 120.500 -0.091 0.000 2.127 262 R HA 0.034 4.374 4.340 -0.000 0.000 0.217 262 R C 0.886 177.116 176.300 -0.117 0.000 1.074 262 R CA 1.300 57.359 56.100 -0.068 0.000 0.991 262 R CB -0.086 30.209 30.300 -0.008 0.000 0.895 262 R HN 0.580 nan 8.270 nan 0.000 0.450 263 D N 0.087 120.365 120.400 -0.203 0.000 3.154 263 D HA -0.036 4.603 4.640 -0.000 0.000 0.278 263 D C 1.785 177.802 176.300 -0.472 0.000 1.460 263 D CA -0.051 53.819 54.000 -0.217 0.000 1.114 263 D CB -0.415 40.427 40.800 0.069 0.000 1.151 263 D HN -0.086 nan 8.370 nan 0.000 0.376 264 L N 2.176 122.857 121.223 -0.905 0.000 1.990 264 L HA -0.064 4.276 4.340 -0.000 0.000 0.213 264 L C 2.242 178.664 176.870 -0.747 0.000 1.072 264 L CA 2.383 56.660 54.840 -0.938 0.000 0.755 264 L CB -1.132 40.123 42.059 -1.339 0.000 0.889 264 L HN 0.148 nan 8.230 nan 0.000 0.432 265 G N -0.740 107.519 108.800 -0.901 0.000 2.511 265 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 265 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 265 G C -0.604 173.626 174.900 -1.117 0.000 1.218 265 G CA 0.984 45.268 45.100 -1.360 0.000 0.788 265 G HN 0.374 nan 8.290 nan 0.000 0.560 266 P HA -0.034 nan 4.420 nan 0.000 0.215 266 P C 2.092 179.268 177.300 -0.205 0.000 1.153 266 P CA 1.846 64.745 63.100 -0.335 0.000 0.853 266 P CB -0.217 31.361 31.700 -0.204 0.000 0.788 267 T N -0.305 114.106 114.554 -0.237 0.000 2.708 267 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 267 T C 1.762 176.397 174.700 -0.109 0.000 1.037 267 T CA 1.140 63.156 62.100 -0.139 0.000 1.146 267 T CB -0.963 67.825 68.868 -0.134 0.000 0.865 267 T HN 0.045 nan 8.240 nan 0.000 0.435 268 L N 0.681 121.800 121.223 -0.173 0.000 2.017 268 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 268 L C 3.079 179.952 176.870 0.004 0.000 1.073 268 L CA 1.250 56.037 54.840 -0.088 0.000 0.745 268 L CB -0.709 41.255 42.059 -0.157 0.000 0.894 268 L HN 0.250 nan 8.230 nan 0.000 0.432 269 A N 0.117 122.931 122.820 -0.009 0.000 1.940 269 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 269 A C 1.734 179.355 177.584 0.062 0.000 1.176 269 A CA 1.801 53.888 52.037 0.084 0.000 0.631 269 A CB -0.496 18.592 19.000 0.147 0.000 0.814 269 A HN 0.491 nan 8.150 nan 0.000 0.446 270 N N 0.161 118.873 118.700 0.020 0.000 2.314 270 N HA 0.036 4.776 4.740 -0.000 0.000 0.200 270 N C 0.319 175.843 175.510 0.025 0.000 1.135 270 N CA 0.758 53.814 53.050 0.009 0.000 0.835 270 N CB 0.141 38.624 38.487 -0.006 0.000 0.989 270 N HN 0.625 nan 8.380 nan 0.000 0.478 271 S N -0.894 114.839 115.700 0.056 0.000 2.747 271 S HA 0.255 4.725 4.470 -0.000 0.000 0.300 271 S C 1.351 175.973 174.600 0.036 0.000 1.121 271 S CA -0.507 57.714 58.200 0.036 0.000 0.995 271 S CB 1.325 64.566 63.200 0.068 0.000 1.113 271 S HN 0.174 nan 8.310 nan 0.000 0.547 272 T N -1.853 112.613 114.554 -0.147 0.000 3.163 272 T HA 0.041 4.391 4.350 -0.000 0.000 0.260 272 T C 0.512 174.971 174.700 -0.403 0.000 1.156 272 T CA 0.610 62.568 62.100 -0.236 0.000 1.072 272 T CB -0.701 67.954 68.868 -0.353 0.000 0.937 272 T HN 0.756 nan 8.240 nan 0.000 0.528 273 H N 0.620 119.653 119.070 -0.061 0.000 2.487 273 H HA 0.183 4.739 4.556 -0.000 0.000 0.290 273 H C 1.510 176.743 175.328 -0.158 0.000 1.081 273 H CA 0.307 56.283 56.048 -0.121 0.000 1.116 273 H CB -0.289 29.445 29.762 -0.047 0.000 1.560 273 H HN 0.798 nan 8.280 nan 0.000 0.548 274 H N -0.315 118.782 119.070 0.044 0.000 2.492 274 H HA -0.073 4.483 4.556 -0.000 0.000 0.296 274 H C 1.217 176.550 175.328 0.009 0.000 1.095 274 H CA 1.174 57.233 56.048 0.018 0.000 1.281 274 H CB -0.052 29.712 29.762 0.003 0.000 1.374 274 H HN 0.059 nan 8.280 nan 0.000 0.545 275 N N 0.792 119.303 118.700 -0.315 0.000 2.515 275 N HA 0.006 4.746 4.740 -0.000 0.000 0.185 275 N C -0.206 175.250 175.510 -0.090 0.000 1.109 275 N CA 0.295 53.267 53.050 -0.129 0.000 0.903 275 N CB 0.322 38.709 38.487 -0.168 0.000 0.969 275 N HN 0.195 nan 8.380 nan 0.000 0.450 276 V N 2.893 122.760 119.914 -0.078 0.000 2.637 276 V HA 0.036 4.156 4.120 -0.000 0.000 0.296 276 V C 0.838 176.818 176.094 -0.190 0.000 1.046 276 V CA -0.254 61.983 62.300 -0.104 0.000 1.066 276 V CB 0.730 32.522 31.823 -0.052 0.000 0.968 276 V HN 0.091 nan 8.190 nan 0.000 0.483 277 R N 3.330 123.615 120.500 -0.358 0.000 2.490 277 R HA 0.490 4.830 4.340 -0.000 0.000 0.278 277 R C -0.604 175.491 176.300 -0.341 0.000 1.069 277 R CA -0.759 55.088 56.100 -0.421 0.000 1.080 277 R CB 0.936 30.791 30.300 -0.741 0.000 1.030 277 R HN 0.499 nan 8.270 nan 0.000 0.491 278 L N 3.178 124.275 121.223 -0.209 0.000 2.313 278 L HA 0.446 4.786 4.340 -0.000 0.000 0.283 278 L C -1.151 175.625 176.870 -0.157 0.000 1.013 278 L CA -0.274 54.451 54.840 -0.193 0.000 0.816 278 L CB 1.182 43.141 42.059 -0.166 0.000 1.236 278 L HN 0.440 nan 8.230 nan 0.000 0.419 279 L N 5.919 127.028 121.223 -0.189 0.000 2.329 279 L HA 0.585 4.925 4.340 -0.000 0.000 0.279 279 L C 0.256 177.042 176.870 -0.140 0.000 1.014 279 L CA -0.715 54.033 54.840 -0.153 0.000 0.814 279 L CB 1.767 43.718 42.059 -0.179 0.000 1.257 279 L HN 0.765 nan 8.230 nan 0.000 0.424 280 M N 1.751 121.280 119.600 -0.117 0.000 2.527 280 M HA 0.504 4.984 4.480 -0.000 0.000 0.283 280 M C 0.726 176.943 176.300 -0.138 0.000 1.188 280 M CA -0.341 54.895 55.300 -0.106 0.000 0.941 280 M CB 1.396 33.957 32.600 -0.064 0.000 1.498 280 M HN 0.502 nan 8.290 nan 0.000 0.510 281 L N 0.280 121.420 121.223 -0.139 0.000 3.604 281 L HA -0.368 3.971 4.340 -0.000 0.000 0.053 281 L C 0.467 177.043 176.870 -0.489 0.000 4.343 281 L CA 3.021 57.655 54.840 -0.343 0.000 0.628 281 L CB -1.814 40.065 42.059 -0.300 0.000 3.503 281 L HN 1.177 nan 8.230 nan 0.000 0.843 282 D N 0.313 120.447 120.400 -0.442 0.000 2.686 282 D HA -0.134 4.506 4.640 -0.000 0.000 0.235 282 D C -0.283 175.380 176.300 -1.061 0.000 1.160 282 D CA 1.399 55.047 54.000 -0.587 0.000 0.645 282 D CB -0.751 39.790 40.800 -0.431 0.000 1.039 282 D HN 0.694 nan 8.370 nan 0.000 0.423 283 D N -0.923 118.927 120.400 -0.916 0.000 2.744 283 D HA 0.220 4.860 4.640 -0.000 0.000 0.304 283 D C -0.380 175.623 176.300 -0.495 0.000 1.179 283 D CA -0.424 53.074 54.000 -0.836 0.000 1.024 283 D CB 0.801 41.143 40.800 -0.762 0.000 1.453 283 D HN 0.270 nan 8.370 nan 0.000 0.529 284 Q N 0.168 119.808 119.800 -0.267 0.000 2.349 284 Q HA 0.073 4.413 4.340 -0.000 0.000 0.287 284 Q C 1.066 177.047 176.000 -0.031 0.000 1.044 284 Q CA 0.010 55.790 55.803 -0.039 0.000 0.918 284 Q CB 0.935 29.673 28.738 -0.001 0.000 1.242 284 Q HN 0.439 nan 8.270 nan 0.000 0.405 285 R N 2.540 123.154 120.500 0.190 0.000 2.193 285 R HA -0.122 4.218 4.340 -0.000 0.000 0.229 285 R C 1.308 177.677 176.300 0.116 0.000 1.110 285 R CA 1.380 57.615 56.100 0.226 0.000 0.988 285 R CB -0.447 30.164 30.300 0.518 0.000 0.871 285 R HN 0.755 nan 8.270 nan 0.000 0.458 286 L N 1.057 122.327 121.223 0.079 0.000 2.633 286 L HA -0.027 4.312 4.340 -0.000 0.000 0.235 286 L C 1.647 178.551 176.870 0.057 0.000 1.163 286 L CA 0.579 55.453 54.840 0.056 0.000 0.859 286 L CB -0.131 41.949 42.059 0.035 0.000 0.973 286 L HN 0.292 nan 8.230 nan 0.000 0.451 287 L N -0.597 120.637 121.223 0.017 0.000 2.592 287 L HA 0.125 4.465 4.340 -0.000 0.000 0.227 287 L C 0.485 177.466 176.870 0.185 0.000 1.127 287 L CA -0.003 54.870 54.840 0.056 0.000 0.884 287 L CB 0.113 41.999 42.059 -0.288 0.000 1.065 287 L HN 0.178 nan 8.230 nan 0.000 0.457 288 L N 0.790 122.097 121.223 0.140 0.000 2.344 288 L HA 0.322 4.662 4.340 -0.000 0.000 0.272 288 L C -1.396 175.584 176.870 0.184 0.000 1.035 288 L CA -1.434 53.514 54.840 0.180 0.000 0.807 288 L CB 1.552 43.700 42.059 0.149 0.000 1.237 288 L HN -0.210 nan 8.230 nan 0.000 0.442 289 P HA -0.040 nan 4.420 nan 0.000 0.255 289 P C 0.901 178.359 177.300 0.264 0.000 1.248 289 P CA 0.467 63.706 63.100 0.232 0.000 0.807 289 P CB 0.188 32.020 31.700 0.220 0.000 1.150 290 H N -0.103 119.076 119.070 0.182 0.000 2.289 290 H HA -0.183 4.373 4.556 -0.000 0.000 0.294 290 H C 1.511 176.936 175.328 0.162 0.000 1.095 290 H CA 2.291 58.434 56.048 0.158 0.000 1.256 290 H CB -0.907 28.942 29.762 0.146 0.000 1.359 290 H HN 0.023 nan 8.280 nan 0.000 0.487 291 W N 0.524 121.789 121.300 -0.059 0.000 2.338 291 W HA -0.158 4.502 4.660 -0.000 0.000 0.304 291 W C 2.942 179.360 176.519 -0.169 0.000 1.212 291 W CA 2.322 59.581 57.345 -0.144 0.000 1.264 291 W CB -0.894 28.524 29.460 -0.070 0.000 1.142 291 W HN 0.389 nan 8.180 nan 0.000 0.512 292 A N -0.009 122.882 122.820 0.118 0.000 1.902 292 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 292 A C 1.954 179.421 177.584 -0.194 0.000 1.181 292 A CA 1.947 53.939 52.037 -0.076 0.000 0.623 292 A CB -0.623 18.388 19.000 0.018 0.000 0.818 292 A HN 0.316 nan 8.150 nan 0.000 0.443 293 K N -0.422 120.001 120.400 0.039 0.000 2.002 293 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 293 K C 1.922 178.483 176.600 -0.065 0.000 1.048 293 K CA 1.481 57.844 56.287 0.126 0.000 0.930 293 K CB -0.536 32.045 32.500 0.134 0.000 0.714 293 K HN 0.288 nan 8.250 nan 0.000 0.438 294 V N 1.353 121.129 119.914 -0.231 0.000 2.252 294 V HA -0.255 3.864 4.120 -0.000 0.000 0.249 294 V C 2.343 178.318 176.094 -0.199 0.000 1.056 294 V CA 1.769 63.907 62.300 -0.269 0.000 1.022 294 V CB -0.457 31.088 31.823 -0.463 0.000 0.641 294 V HN 0.105 nan 8.190 nan 0.000 0.445 295 V N -0.533 119.254 119.914 -0.212 0.000 2.346 295 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 295 V C 2.144 178.127 176.094 -0.186 0.000 1.037 295 V CA 1.629 63.825 62.300 -0.174 0.000 1.029 295 V CB -0.460 31.277 31.823 -0.143 0.000 0.663 295 V HN 0.432 nan 8.190 nan 0.000 0.454 296 L N 0.792 121.828 121.223 -0.311 0.000 2.395 296 L HA -0.046 4.293 4.340 -0.000 0.000 0.218 296 L C 2.419 179.220 176.870 -0.115 0.000 1.130 296 L CA 1.478 56.093 54.840 -0.376 0.000 0.826 296 L CB -0.880 40.557 42.059 -1.035 0.000 0.941 296 L HN 0.549 nan 8.230 nan 0.000 0.451 297 T N -4.577 109.970 114.554 -0.013 0.000 3.148 297 T HA -0.054 4.296 4.350 -0.000 0.000 0.253 297 T C 0.593 175.303 174.700 0.017 0.000 1.134 297 T CA -0.078 62.071 62.100 0.082 0.000 1.051 297 T CB -0.228 68.696 68.868 0.094 0.000 0.959 297 T HN 0.043 nan 8.240 nan 0.000 0.525 298 D N 2.520 122.905 120.400 -0.024 0.000 2.454 298 D HA 0.248 4.888 4.640 -0.000 0.000 0.225 298 D C -1.424 174.857 176.300 -0.032 0.000 1.081 298 D CA -2.669 51.315 54.000 -0.027 0.000 0.864 298 D CB 1.986 42.763 40.800 -0.037 0.000 1.040 298 D HN 0.007 nan 8.370 nan 0.000 0.517 299 P HA -0.176 nan 4.420 nan 0.000 0.218 299 P C 0.884 178.146 177.300 -0.063 0.000 1.146 299 P CA 0.862 63.936 63.100 -0.044 0.000 0.813 299 P CB 0.662 32.340 31.700 -0.036 0.000 0.778 300 E N -0.143 120.037 120.200 -0.034 0.000 2.150 300 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 300 E C 2.116 178.746 176.600 0.050 0.000 0.985 300 E CA 1.343 57.740 56.400 -0.006 0.000 0.814 300 E CB -0.630 29.082 29.700 0.021 0.000 0.752 300 E HN 0.285 nan 8.360 nan 0.000 0.466 301 A N 0.968 123.805 122.820 0.029 0.000 1.911 301 A HA 0.215 4.535 4.320 -0.000 0.000 0.212 301 A C 2.367 179.960 177.584 0.016 0.000 1.189 301 A CA 1.167 53.242 52.037 0.062 0.000 0.639 301 A CB -0.436 18.559 19.000 -0.007 0.000 0.839 301 A HN 0.219 nan 8.150 nan 0.000 0.449 302 A N 1.501 124.286 122.820 -0.058 0.000 1.948 302 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 302 A C 2.039 179.555 177.584 -0.114 0.000 1.177 302 A CA 2.061 54.043 52.037 -0.092 0.000 0.636 302 A CB -0.656 18.291 19.000 -0.087 0.000 0.815 302 A HN 0.702 nan 8.150 nan 0.000 0.449 303 K N -1.838 118.443 120.400 -0.198 0.000 2.442 303 K HA -0.121 4.199 4.320 -0.000 0.000 0.198 303 K C 1.115 177.479 176.600 -0.394 0.000 1.044 303 K CA 1.608 57.701 56.287 -0.324 0.000 0.948 303 K CB -0.402 31.823 32.500 -0.459 0.000 0.762 303 K HN 0.609 nan 8.250 nan 0.000 0.472 304 Y N 0.864 121.115 120.300 -0.080 0.000 2.481 304 Y HA 0.178 4.727 4.550 -0.000 0.000 0.258 304 Y C 0.485 176.328 175.900 -0.096 0.000 1.103 304 Y CA -0.741 57.301 58.100 -0.096 0.000 1.287 304 Y CB 1.014 39.391 38.460 -0.138 0.000 1.108 304 Y HN -0.217 nan 8.280 nan 0.000 0.529 305 V N 2.137 122.070 119.914 0.031 0.000 2.389 305 V HA -0.033 4.087 4.120 -0.000 0.000 0.264 305 V C 1.140 177.234 176.094 0.001 0.000 1.049 305 V CA -0.078 62.212 62.300 -0.017 0.000 0.932 305 V CB 0.570 32.351 31.823 -0.071 0.000 1.011 305 V HN 0.454 nan 8.190 nan 0.000 0.475 306 H N 3.956 122.975 119.070 -0.083 0.000 2.448 306 H HA 0.222 4.778 4.556 -0.000 0.000 0.292 306 H C 0.725 176.028 175.328 -0.041 0.000 1.035 306 H CA 1.034 57.044 56.048 -0.063 0.000 1.349 306 H CB 1.047 30.753 29.762 -0.093 0.000 1.425 306 H HN 0.714 nan 8.280 nan 0.000 0.539 307 G N 0.025 108.752 108.800 -0.122 0.000 2.600 307 G HA2 0.448 4.408 3.960 -0.000 0.000 0.293 307 G HA3 0.448 4.408 3.960 -0.000 0.000 0.293 307 G C -1.658 173.199 174.900 -0.070 0.000 1.408 307 G CA -0.707 44.318 45.100 -0.124 0.000 0.782 307 G HN 0.127 nan 8.290 nan 0.000 0.482 308 I N 1.157 121.712 120.570 -0.025 0.000 2.410 308 I HA 0.559 4.728 4.170 -0.000 0.000 0.286 308 I C 0.442 176.555 176.117 -0.007 0.000 1.009 308 I CA -0.767 60.513 61.300 -0.032 0.000 1.111 308 I CB 1.894 39.887 38.000 -0.012 0.000 1.262 308 I HN 0.625 nan 8.210 nan 0.000 0.443 309 A N 6.689 129.472 122.820 -0.062 0.000 2.309 309 A HA 0.788 5.107 4.320 -0.000 0.000 0.298 309 A C -0.295 177.151 177.584 -0.229 0.000 1.165 309 A CA -0.455 51.549 52.037 -0.056 0.000 0.821 309 A CB 0.975 19.951 19.000 -0.040 0.000 1.102 309 A HN 0.614 nan 8.150 nan 0.000 0.500 310 V N 0.586 120.290 119.914 -0.350 0.000 2.823 310 V HA 0.625 4.745 4.120 -0.000 0.000 0.312 310 V C -0.534 175.099 176.094 -0.769 0.000 1.072 310 V CA -0.731 61.220 62.300 -0.582 0.000 0.937 310 V CB 1.328 32.730 31.823 -0.703 0.000 1.013 310 V HN 0.926 nan 8.190 nan 0.000 0.430 311 H N 2.118 120.717 119.070 -0.786 0.000 2.472 311 H HA 0.492 5.048 4.556 -0.000 0.000 0.338 311 H C -1.471 173.657 175.328 -0.332 0.000 1.133 311 H CA -0.550 55.089 56.048 -0.681 0.000 1.216 311 H CB 1.955 31.481 29.762 -0.394 0.000 1.497 311 H HN 0.738 nan 8.280 nan 0.000 0.500 312 W N 2.733 123.869 121.300 -0.274 0.000 2.600 312 W HA 0.258 4.918 4.660 -0.000 0.000 0.325 312 W C -1.195 175.163 176.519 -0.269 0.000 1.034 312 W CA -0.932 56.304 57.345 -0.182 0.000 1.226 312 W CB 1.227 30.570 29.460 -0.195 0.000 1.379 312 W HN 0.527 nan 8.180 nan 0.000 0.466 313 Y N 4.013 124.461 120.300 0.247 0.000 2.854 313 Y HA 0.205 4.755 4.550 -0.000 0.000 0.330 313 Y C 1.264 177.340 175.900 0.293 0.000 1.037 313 Y CA -0.546 57.685 58.100 0.218 0.000 1.263 313 Y CB 0.438 38.972 38.460 0.124 0.000 1.120 313 Y HN 0.360 nan 8.280 nan 0.000 0.532 314 L N 0.816 122.214 121.223 0.291 0.000 2.450 314 L HA -0.230 4.110 4.340 -0.000 0.000 0.225 314 L C 1.007 178.004 176.870 0.213 0.000 1.145 314 L CA 1.069 56.044 54.840 0.226 0.000 0.801 314 L CB -0.052 42.126 42.059 0.198 0.000 0.924 314 L HN 0.573 nan 8.230 nan 0.000 0.447 315 D N -0.555 120.008 120.400 0.271 0.000 2.317 315 D HA 0.030 4.670 4.640 -0.000 0.000 0.211 315 D C 0.591 176.822 176.300 -0.116 0.000 0.966 315 D CA 0.769 54.788 54.000 0.032 0.000 0.876 315 D CB 0.203 40.941 40.800 -0.103 0.000 0.927 315 D HN 0.131 nan 8.370 nan 0.000 0.519 316 F N -0.089 119.928 119.950 0.113 0.000 2.518 316 F HA 0.459 4.986 4.527 -0.000 0.000 0.338 316 F C 0.554 176.395 175.800 0.069 0.000 1.065 316 F CA -0.984 57.072 58.000 0.094 0.000 1.012 316 F CB 0.907 39.966 39.000 0.098 0.000 1.297 316 F HN -0.395 nan 8.300 nan 0.000 0.489 317 L N 1.094 122.467 121.223 0.250 0.000 2.330 317 L HA 0.880 5.220 4.340 -0.000 0.000 0.271 317 L C -0.732 176.195 176.870 0.096 0.000 1.013 317 L CA -1.060 53.855 54.840 0.125 0.000 0.816 317 L CB 1.832 43.942 42.059 0.085 0.000 1.287 317 L HN 0.718 nan 8.230 nan 0.000 0.435 318 A N 2.437 125.267 122.820 0.016 0.000 2.480 318 A HA 0.606 4.925 4.320 -0.000 0.000 0.289 318 A C -2.692 174.845 177.584 -0.078 0.000 1.044 318 A CA -0.991 51.039 52.037 -0.012 0.000 0.761 318 A CB 1.039 20.035 19.000 -0.006 0.000 1.289 318 A HN 0.449 nan 8.150 nan 0.000 0.401 319 P HA 0.194 nan 4.420 nan 0.000 0.260 319 P C 0.933 178.131 177.300 -0.170 0.000 1.207 319 P CA 0.670 63.717 63.100 -0.090 0.000 0.780 319 P CB 1.172 32.851 31.700 -0.034 0.000 0.789 320 A N 5.140 127.764 122.820 -0.328 0.000 1.873 320 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 320 A C 2.247 179.510 177.584 -0.536 0.000 1.186 320 A CA 1.693 53.390 52.037 -0.566 0.000 0.616 320 A CB -0.795 17.595 19.000 -1.017 0.000 0.823 320 A HN 0.543 nan 8.150 nan 0.000 0.442 321 K N -0.322 119.810 120.400 -0.446 0.000 2.009 321 K HA -0.109 4.211 4.320 -0.000 0.000 0.210 321 K C 2.091 178.732 176.600 0.067 0.000 1.049 321 K CA 1.355 57.632 56.287 -0.016 0.000 0.929 321 K CB -0.360 32.232 32.500 0.154 0.000 0.714 321 K HN 0.349 nan 8.250 nan 0.000 0.440 322 A N 0.340 123.177 122.820 0.028 0.000 2.070 322 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 322 A C 1.974 179.605 177.584 0.077 0.000 1.159 322 A CA 2.147 54.220 52.037 0.059 0.000 0.656 322 A CB -0.677 18.348 19.000 0.042 0.000 0.800 322 A HN 0.696 nan 8.150 nan 0.000 0.453 323 T N -2.735 111.855 114.554 0.060 0.000 3.395 323 T HA 0.180 4.530 4.350 -0.000 0.000 0.230 323 T C 1.806 176.598 174.700 0.154 0.000 0.958 323 T CA 0.639 62.800 62.100 0.101 0.000 1.377 323 T CB -0.734 68.185 68.868 0.084 0.000 1.124 323 T HN 0.142 nan 8.240 nan 0.000 0.425 324 L N 1.490 122.804 121.223 0.152 0.000 2.046 324 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 324 L C 3.140 180.224 176.870 0.356 0.000 1.077 324 L CA 1.532 56.527 54.840 0.258 0.000 0.747 324 L CB -1.234 40.981 42.059 0.261 0.000 0.896 324 L HN 0.584 nan 8.230 nan 0.000 0.432 325 G N -0.094 108.923 108.800 0.362 0.000 2.480 325 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 325 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 325 G C 1.469 176.551 174.900 0.303 0.000 1.200 325 G CA 0.908 46.281 45.100 0.455 0.000 0.782 325 G HN 0.295 nan 8.290 nan 0.000 0.554 326 E N 0.334 120.662 120.200 0.213 0.000 2.153 326 E HA -0.061 4.288 4.350 -0.000 0.000 0.194 326 E C 2.653 179.335 176.600 0.137 0.000 0.988 326 E CA 1.508 57.996 56.400 0.146 0.000 0.811 326 E CB -0.651 29.121 29.700 0.120 0.000 0.746 326 E HN 0.342 nan 8.360 nan 0.000 0.466 327 T N -0.848 113.825 114.554 0.198 0.000 2.746 327 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 327 T C 1.538 176.367 174.700 0.215 0.000 1.039 327 T CA 1.615 63.862 62.100 0.245 0.000 1.142 327 T CB -0.555 68.469 68.868 0.260 0.000 0.866 327 T HN 0.424 nan 8.240 nan 0.000 0.444 328 H N 1.237 120.360 119.070 0.089 0.000 2.387 328 H HA 0.069 4.625 4.556 -0.000 0.000 0.299 328 H C 2.463 177.733 175.328 -0.096 0.000 1.090 328 H CA 1.663 57.679 56.048 -0.053 0.000 1.332 328 H CB -0.093 29.440 29.762 -0.382 0.000 1.386 328 H HN 0.186 nan 8.280 nan 0.000 0.516 329 R N -0.039 120.400 120.500 -0.101 0.000 2.081 329 R HA -0.101 4.238 4.340 -0.000 0.000 0.235 329 R C 2.122 178.266 176.300 -0.260 0.000 1.131 329 R CA 1.744 57.751 56.100 -0.154 0.000 0.960 329 R CB -0.220 30.068 30.300 -0.021 0.000 0.856 329 R HN 0.409 nan 8.270 nan 0.000 0.436 330 L N -0.614 120.430 121.223 -0.298 0.000 2.072 330 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 330 L C 0.346 176.611 176.870 -1.009 0.000 1.079 330 L CA 0.907 55.340 54.840 -0.677 0.000 0.752 330 L CB 0.085 41.666 42.059 -0.795 0.000 0.906 330 L HN 0.093 nan 8.230 nan 0.000 0.436 331 F N -0.694 119.190 119.950 -0.110 0.000 2.622 331 F HA 0.303 4.830 4.527 -0.000 0.000 0.338 331 F C -1.634 174.050 175.800 -0.193 0.000 1.334 331 F CA -1.742 56.189 58.000 -0.115 0.000 1.179 331 F CB 0.287 39.252 39.000 -0.059 0.000 1.471 331 F HN -0.174 nan 8.300 nan 0.000 0.576 332 P HA -0.133 nan 4.420 nan 0.000 0.225 332 P C 0.367 177.611 177.300 -0.094 0.000 1.148 332 P CA 1.274 64.106 63.100 -0.447 0.000 0.779 332 P CB 0.428 31.845 31.700 -0.473 0.000 0.780 333 N N -0.648 118.044 118.700 -0.014 0.000 2.270 333 N HA 0.043 4.783 4.740 -0.000 0.000 0.198 333 N C -0.111 175.407 175.510 0.014 0.000 1.117 333 N CA 0.463 53.525 53.050 0.021 0.000 0.845 333 N CB 0.296 38.794 38.487 0.018 0.000 0.980 333 N HN 0.082 nan 8.380 nan 0.000 0.486 334 T N 2.532 117.105 114.554 0.033 0.000 2.874 334 T HA 0.276 4.626 4.350 -0.000 0.000 0.321 334 T C 0.517 175.225 174.700 0.014 0.000 1.075 334 T CA -0.757 61.330 62.100 -0.023 0.000 0.966 334 T CB 0.589 69.445 68.868 -0.021 0.000 1.001 334 T HN 0.113 nan 8.240 nan 0.000 0.476 335 M N 3.023 122.599 119.600 -0.041 0.000 2.246 335 M HA 0.260 4.740 4.480 -0.000 0.000 0.327 335 M C -0.819 175.548 176.300 0.111 0.000 1.090 335 M CA 0.454 55.790 55.300 0.060 0.000 1.087 335 M CB -0.284 32.337 32.600 0.035 0.000 1.587 335 M HN 0.349 nan 8.290 nan 0.000 0.444 336 L N 3.857 125.192 121.223 0.187 0.000 2.295 336 L HA 0.664 5.004 4.340 -0.000 0.000 0.285 336 L C -1.081 175.932 176.870 0.237 0.000 1.035 336 L CA -0.270 54.684 54.840 0.191 0.000 0.806 336 L CB 1.090 43.284 42.059 0.226 0.000 1.214 336 L HN 0.828 nan 8.230 nan 0.000 0.426 337 F N 2.893 122.847 119.950 0.007 0.000 2.561 337 F HA 0.663 5.189 4.527 -0.000 0.000 0.313 337 F C -0.251 175.449 175.800 -0.166 0.000 1.126 337 F CA -0.739 57.248 58.000 -0.020 0.000 0.918 337 F CB 1.482 40.518 39.000 0.061 0.000 1.199 337 F HN 0.419 nan 8.300 nan 0.000 0.444 338 A N 3.585 125.911 122.820 -0.823 0.000 2.310 338 A HA 0.440 4.759 4.320 -0.000 0.000 0.300 338 A C 0.554 177.501 177.584 -1.063 0.000 1.269 338 A CA 0.266 51.719 52.037 -0.974 0.000 0.909 338 A CB -0.122 18.335 19.000 -0.905 0.000 1.144 338 A HN 0.970 nan 8.150 nan 0.000 0.540 339 S N 1.263 116.600 115.700 -0.605 0.000 2.517 339 S HA 0.235 4.705 4.470 -0.000 0.000 0.214 339 S C 0.326 174.628 174.600 -0.496 0.000 0.991 339 S CA 0.317 58.359 58.200 -0.265 0.000 0.906 339 S CB 0.093 63.338 63.200 0.074 0.000 0.789 339 S HN 0.804 nan 8.310 nan 0.000 0.513 340 E N -0.448 119.241 120.200 -0.852 0.000 2.381 340 E HA 0.606 4.956 4.350 -0.000 0.000 0.286 340 E C -1.971 174.015 176.600 -1.023 0.000 0.960 340 E CA -0.510 55.288 56.400 -1.005 0.000 0.793 340 E CB 1.799 30.576 29.700 -1.539 0.000 1.225 340 E HN 0.329 nan 8.360 nan 0.000 0.420 341 A N 1.808 124.127 122.820 -0.834 0.000 2.594 341 A HA 0.873 5.192 4.320 -0.000 0.000 0.295 341 A C -1.123 176.264 177.584 -0.330 0.000 1.071 341 A CA -0.299 51.352 52.037 -0.643 0.000 0.685 341 A CB 0.969 19.429 19.000 -0.900 0.000 1.285 341 A HN 1.032 nan 8.150 nan 0.000 0.405 342 C N -0.285 118.917 119.300 -0.164 0.000 3.292 342 C HA 0.906 5.366 4.460 -0.000 0.000 0.338 342 C C -0.836 174.279 174.990 0.208 0.000 1.323 342 C CA -0.089 58.997 59.018 0.113 0.000 1.232 342 C CB 0.724 28.540 27.740 0.127 0.000 1.517 342 C HN 2.202 nan 8.230 nan 0.000 0.470 343 V N -1.305 118.780 119.914 0.285 0.000 3.102 343 V HA 1.002 5.122 4.120 -0.000 0.000 0.312 343 V C 0.680 176.870 176.094 0.160 0.000 1.135 343 V CA 0.133 62.570 62.300 0.228 0.000 1.022 343 V CB 0.920 32.879 31.823 0.227 0.000 1.056 343 V HN 2.968 nan 8.190 nan 0.000 0.436 344 G N 1.516 110.364 108.800 0.079 0.000 2.137 344 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.237 344 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.237 344 G C 0.660 175.605 174.900 0.074 0.000 1.002 344 G CA 0.979 46.090 45.100 0.018 0.000 0.702 344 G HN 2.120 nan 8.290 nan 0.000 0.515 345 S N -1.242 114.549 115.700 0.152 0.000 2.524 345 S HA 0.303 4.773 4.470 -0.000 0.000 0.216 345 S C 0.965 175.673 174.600 0.180 0.000 0.987 345 S CA 0.452 58.804 58.200 0.252 0.000 0.909 345 S CB 0.459 63.941 63.200 0.470 0.000 0.781 345 S HN 0.541 nan 8.310 nan 0.000 0.521 346 K N 1.446 121.812 120.400 -0.056 0.000 2.326 346 K HA 0.175 4.495 4.320 -0.000 0.000 0.275 346 K C 0.882 177.320 176.600 -0.270 0.000 1.018 346 K CA -0.105 56.023 56.287 -0.265 0.000 0.962 346 K CB 0.317 32.298 32.500 -0.865 0.000 0.953 346 K HN 0.371 nan 8.250 nan 0.000 0.475 347 F N 2.591 122.513 119.950 -0.047 0.000 2.202 347 F HA -0.166 4.360 4.527 -0.000 0.000 0.301 347 F C 1.346 177.195 175.800 0.082 0.000 1.082 347 F CA 0.680 58.709 58.000 0.047 0.000 1.313 347 F CB -0.398 38.678 39.000 0.127 0.000 1.024 347 F HN 0.648 nan 8.300 nan 0.000 0.495 348 W N 1.636 122.515 121.300 -0.702 0.000 3.290 348 W HA 0.388 5.048 4.660 -0.000 0.000 0.287 348 W C -0.585 175.838 176.519 -0.160 0.000 1.288 348 W CA -0.442 56.666 57.345 -0.394 0.000 1.725 348 W CB -1.065 28.015 29.460 -0.634 0.000 1.103 348 W HN 0.114 nan 8.180 nan 0.000 0.670 349 E N 2.184 122.053 120.200 -0.552 0.000 2.242 349 E HA 0.166 4.516 4.350 -0.000 0.000 0.275 349 E C -0.323 176.208 176.600 -0.116 0.000 1.002 349 E CA -0.606 55.535 56.400 -0.432 0.000 0.841 349 E CB 1.357 30.648 29.700 -0.681 0.000 1.109 349 E HN 0.029 nan 8.360 nan 0.000 0.394 350 Q N 1.165 120.948 119.800 -0.029 0.000 2.313 350 Q HA 0.074 4.413 4.340 -0.000 0.000 0.266 350 Q C 0.709 176.706 176.000 -0.005 0.000 0.989 350 Q CA -0.137 55.682 55.803 0.026 0.000 0.890 350 Q CB 1.004 29.783 28.738 0.068 0.000 1.200 350 Q HN 0.515 nan 8.270 nan 0.000 0.396 351 S N 1.133 116.858 115.700 0.041 0.000 2.359 351 S HA -0.089 4.380 4.470 -0.000 0.000 0.223 351 S C 0.725 175.330 174.600 0.009 0.000 1.039 351 S CA 0.817 59.059 58.200 0.070 0.000 1.042 351 S CB 0.275 63.566 63.200 0.151 0.000 0.915 351 S HN 0.451 nan 8.310 nan 0.000 0.439 352 V N 1.966 121.852 119.914 -0.046 0.000 2.444 352 V HA 0.410 4.530 4.120 -0.000 0.000 0.294 352 V C -0.340 175.614 176.094 -0.233 0.000 1.022 352 V CA -0.599 61.632 62.300 -0.115 0.000 0.850 352 V CB 1.612 33.370 31.823 -0.108 0.000 0.992 352 V HN 0.170 nan 8.190 nan 0.000 0.426 353 R N 4.811 125.086 120.500 -0.375 0.000 2.332 353 R HA 0.469 4.809 4.340 -0.000 0.000 0.306 353 R C -0.806 175.082 176.300 -0.686 0.000 1.117 353 R CA -0.600 54.981 56.100 -0.865 0.000 1.108 353 R CB 1.113 30.841 30.300 -0.953 0.000 1.126 353 R HN 0.622 nan 8.270 nan 0.000 0.548 354 L N 2.368 123.287 121.223 -0.506 0.000 2.654 354 L HA -0.003 4.336 4.340 -0.000 0.000 0.271 354 L C 1.282 178.114 176.870 -0.062 0.000 1.169 354 L CA 0.858 55.499 54.840 -0.332 0.000 0.947 354 L CB 0.329 41.959 42.059 -0.715 0.000 1.232 354 L HN 0.998 nan 8.230 nan 0.000 0.486 355 G N 1.982 110.782 108.800 0.001 0.000 2.144 355 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.218 355 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.218 355 G C 0.353 175.355 174.900 0.170 0.000 0.988 355 G CA 0.107 45.299 45.100 0.154 0.000 0.659 355 G HN 0.634 nan 8.290 nan 0.000 0.522 356 S N 0.016 115.734 115.700 0.030 0.000 2.481 356 S HA 0.237 4.707 4.470 -0.000 0.000 0.282 356 S C 1.171 175.840 174.600 0.115 0.000 1.243 356 S CA 0.482 58.709 58.200 0.045 0.000 1.078 356 S CB -0.087 63.047 63.200 -0.109 0.000 0.916 356 S HN 0.470 nan 8.310 nan 0.000 0.495 357 W N 4.600 125.898 121.300 -0.003 0.000 2.576 357 W HA -0.049 4.611 4.660 -0.000 0.000 0.270 357 W C 0.642 177.111 176.519 -0.083 0.000 1.255 357 W CA 0.862 58.200 57.345 -0.010 0.000 1.314 357 W CB -0.179 29.277 29.460 -0.007 0.000 1.101 357 W HN 0.755 nan 8.180 nan 0.000 0.595 358 D N 0.015 120.423 120.400 0.014 0.000 2.117 358 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 358 D C 2.235 178.447 176.300 -0.147 0.000 0.987 358 D CA 1.742 55.705 54.000 -0.061 0.000 0.829 358 D CB -0.241 40.562 40.800 0.005 0.000 0.961 358 D HN 0.080 nan 8.370 nan 0.000 0.460 359 R N -0.040 120.378 120.500 -0.137 0.000 2.148 359 R HA 0.025 4.365 4.340 -0.000 0.000 0.227 359 R C 2.308 178.453 176.300 -0.260 0.000 1.103 359 R CA 1.071 57.094 56.100 -0.128 0.000 0.983 359 R CB -0.316 29.917 30.300 -0.112 0.000 0.874 359 R HN 0.182 nan 8.270 nan 0.000 0.451 360 G N 0.954 109.452 108.800 -0.504 0.000 2.404 360 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 360 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 360 G C 1.450 175.650 174.900 -1.166 0.000 1.174 360 G CA 0.390 44.945 45.100 -0.908 0.000 0.780 360 G HN 0.125 nan 8.290 nan 0.000 0.537 361 M N 0.049 119.039 119.600 -1.017 0.000 2.213 361 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 361 M C 2.730 178.950 176.300 -0.134 0.000 1.062 361 M CA 1.223 56.227 55.300 -0.492 0.000 1.105 361 M CB -0.360 32.090 32.600 -0.250 0.000 1.385 361 M HN 0.286 nan 8.290 nan 0.000 0.417 362 Q N -0.632 119.124 119.800 -0.075 0.000 2.084 362 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 362 Q C 1.893 177.986 176.000 0.155 0.000 0.978 362 Q CA 1.585 57.442 55.803 0.090 0.000 0.844 362 Q CB -0.170 28.645 28.738 0.129 0.000 0.898 362 Q HN 0.461 nan 8.270 nan 0.000 0.426 363 Y N 0.805 121.055 120.300 -0.083 0.000 2.089 363 Y HA -0.269 4.281 4.550 -0.000 0.000 0.282 363 Y C 2.914 178.627 175.900 -0.311 0.000 1.139 363 Y CA 1.609 59.632 58.100 -0.128 0.000 1.123 363 Y CB -0.781 37.632 38.460 -0.079 0.000 0.980 363 Y HN 0.185 nan 8.280 nan 0.000 0.493 364 S N -1.041 114.682 115.700 0.038 0.000 2.382 364 S HA -0.283 4.187 4.470 -0.000 0.000 0.228 364 S C 2.027 176.613 174.600 -0.024 0.000 1.027 364 S CA 1.591 59.836 58.200 0.075 0.000 0.991 364 S CB -1.016 62.496 63.200 0.520 0.000 0.823 364 S HN 0.650 nan 8.310 nan 0.000 0.469 365 H N 0.992 120.036 119.070 -0.043 0.000 2.353 365 H HA -0.026 4.529 4.556 -0.000 0.000 0.300 365 H C 2.378 177.625 175.328 -0.134 0.000 1.090 365 H CA 1.596 57.618 56.048 -0.043 0.000 1.327 365 H CB -0.352 29.399 29.762 -0.018 0.000 1.383 365 H HN 0.541 nan 8.280 nan 0.000 0.508 366 S N 0.099 115.651 115.700 -0.248 0.000 2.368 366 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 366 S C 2.377 176.724 174.600 -0.421 0.000 1.029 366 S CA 1.087 59.099 58.200 -0.314 0.000 0.988 366 S CB -0.282 62.872 63.200 -0.076 0.000 0.838 366 S HN 0.432 nan 8.310 nan 0.000 0.462 367 I N 1.142 121.245 120.570 -0.778 0.000 2.226 367 I HA -0.184 3.985 4.170 -0.000 0.000 0.245 367 I C 2.155 177.958 176.117 -0.522 0.000 1.100 367 I CA 1.253 61.962 61.300 -0.985 0.000 1.374 367 I CB -0.389 36.618 38.000 -1.656 0.000 1.057 367 I HN 0.343 nan 8.210 nan 0.000 0.413 368 I N 0.297 120.626 120.570 -0.401 0.000 2.202 368 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 368 I C 2.563 178.598 176.117 -0.137 0.000 1.091 368 I CA 1.561 62.781 61.300 -0.134 0.000 1.368 368 I CB -0.558 37.444 38.000 0.002 0.000 1.058 368 I HN 0.225 nan 8.210 nan 0.000 0.410 369 T N 0.556 114.964 114.554 -0.243 0.000 2.720 369 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 369 T C 1.745 176.435 174.700 -0.016 0.000 1.037 369 T CA 1.433 63.436 62.100 -0.162 0.000 1.144 369 T CB -0.408 68.245 68.868 -0.359 0.000 0.864 369 T HN 0.354 nan 8.240 nan 0.000 0.444 370 N N 0.963 119.633 118.700 -0.050 0.000 2.084 370 N HA -0.023 4.717 4.740 -0.000 0.000 0.190 370 N C 1.940 177.507 175.510 0.095 0.000 1.030 370 N CA 1.100 54.222 53.050 0.120 0.000 0.849 370 N CB -0.290 38.389 38.487 0.319 0.000 1.012 370 N HN 0.331 nan 8.380 nan 0.000 0.423 371 L N 1.131 122.367 121.223 0.020 0.000 2.131 371 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 371 L C 2.173 178.970 176.870 -0.122 0.000 1.092 371 L CA 0.650 55.487 54.840 -0.004 0.000 0.759 371 L CB -0.281 41.801 42.059 0.039 0.000 0.903 371 L HN 0.173 nan 8.230 nan 0.000 0.435 372 L N -1.675 119.463 121.223 -0.141 0.000 2.465 372 L HA -0.142 4.198 4.340 -0.000 0.000 0.224 372 L C 0.605 177.088 176.870 -0.645 0.000 1.145 372 L CA 0.666 55.292 54.840 -0.357 0.000 0.834 372 L CB -0.062 41.846 42.059 -0.251 0.000 0.944 372 L HN 0.240 nan 8.230 nan 0.000 0.451 373 Y N -0.899 119.204 120.300 -0.328 0.000 2.722 373 Y HA 0.224 4.773 4.550 -0.000 0.000 0.314 373 Y C 0.478 176.187 175.900 -0.319 0.000 1.008 373 Y CA -0.763 57.109 58.100 -0.381 0.000 1.294 373 Y CB -0.443 37.956 38.460 -0.100 0.000 1.231 373 Y HN 0.153 nan 8.280 nan 0.000 0.558 374 H N -3.222 115.820 119.070 -0.047 0.000 3.882 374 H HA -0.161 4.394 4.556 -0.000 0.000 0.165 374 H C 0.241 175.605 175.328 0.059 0.000 0.896 374 H CA 0.675 56.687 56.048 -0.060 0.000 1.243 374 H CB -1.616 28.014 29.762 -0.221 0.000 0.958 374 H HN 0.101 nan 8.280 nan 0.000 0.400 375 V N 3.143 123.160 119.914 0.172 0.000 2.585 375 V HA 0.020 4.140 4.120 -0.000 0.000 0.296 375 V C 2.086 178.245 176.094 0.108 0.000 1.035 375 V CA 0.804 63.203 62.300 0.165 0.000 1.084 375 V CB 1.405 33.343 31.823 0.191 0.000 0.953 375 V HN 0.363 nan 8.190 nan 0.000 0.483 376 V N 1.722 121.712 119.914 0.127 0.000 3.608 376 V HA 0.590 4.710 4.120 -0.000 0.000 0.269 376 V C 0.753 176.846 176.094 -0.001 0.000 1.245 376 V CA 0.965 63.331 62.300 0.110 0.000 1.138 376 V CB -0.224 31.716 31.823 0.196 0.000 0.841 376 V HN 0.955 nan 8.190 nan 0.000 0.451 377 G N -1.484 107.225 108.800 -0.151 0.000 2.673 377 G HA2 0.475 4.435 3.960 -0.000 0.000 0.292 377 G HA3 0.475 4.435 3.960 -0.000 0.000 0.292 377 G C -2.607 171.839 174.900 -0.757 0.000 1.450 377 G CA -0.699 44.085 45.100 -0.526 0.000 0.837 377 G HN 0.245 nan 8.290 nan 0.000 0.505 378 W N 1.146 121.901 121.300 -0.908 0.000 2.900 378 W HA 0.643 5.303 4.660 -0.000 0.000 0.336 378 W C -0.627 175.618 176.519 -0.457 0.000 1.064 378 W CA -0.374 56.621 57.345 -0.583 0.000 1.237 378 W CB 2.480 31.809 29.460 -0.218 0.000 1.391 378 W HN 0.535 nan 8.180 nan 0.000 0.468 379 T N 4.285 118.440 114.554 -0.664 0.000 2.809 379 T HA 0.148 4.498 4.350 -0.000 0.000 0.284 379 T C -0.771 173.591 174.700 -0.563 0.000 0.992 379 T CA -0.532 61.314 62.100 -0.423 0.000 0.957 379 T CB 1.441 70.161 68.868 -0.246 0.000 0.942 379 T HN 0.324 nan 8.240 nan 0.000 0.439 380 D N 1.034 121.286 120.400 -0.246 0.000 2.358 380 D HA 0.205 4.845 4.640 -0.000 0.000 0.244 380 D C 0.309 176.630 176.300 0.035 0.000 1.163 380 D CA -0.577 53.361 54.000 -0.102 0.000 0.945 380 D CB 0.906 41.869 40.800 0.272 0.000 1.152 380 D HN 0.553 nan 8.370 nan 0.000 0.451 381 W N 1.232 122.425 121.300 -0.179 0.000 1.648 381 W HA 0.098 4.758 4.660 -0.000 0.000 0.636 381 W C 0.358 176.795 176.519 -0.136 0.000 1.514 381 W CA -0.747 56.485 57.345 -0.188 0.000 1.535 381 W CB 0.058 29.378 29.460 -0.232 0.000 3.325 381 W HN 0.230 nan 8.180 nan 0.000 0.781 382 N N 2.644 120.981 118.700 -0.604 0.000 2.217 382 N HA -0.141 4.599 4.740 -0.000 0.000 0.268 382 N C 0.823 176.220 175.510 -0.189 0.000 1.290 382 N CA 0.706 53.378 53.050 -0.631 0.000 0.831 382 N CB 0.668 38.607 38.487 -0.914 0.000 1.057 382 N HN 0.351 nan 8.380 nan 0.000 0.481 383 L N 1.028 122.191 121.223 -0.101 0.000 2.191 383 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 383 L C 1.014 177.993 176.870 0.182 0.000 1.103 383 L CA 0.841 55.708 54.840 0.045 0.000 0.769 383 L CB -0.127 41.946 42.059 0.022 0.000 0.908 383 L HN 0.624 nan 8.230 nan 0.000 0.438 384 A N -0.772 122.065 122.820 0.029 0.000 2.605 384 A HA 0.744 5.064 4.320 -0.000 0.000 0.294 384 A C -1.319 176.236 177.584 -0.047 0.000 1.062 384 A CA -0.486 51.563 52.037 0.021 0.000 0.682 384 A CB 1.347 20.357 19.000 0.017 0.000 1.278 384 A HN -0.024 nan 8.150 nan 0.000 0.410 385 L N 0.845 122.055 121.223 -0.022 0.000 2.491 385 L HA 0.466 4.806 4.340 -0.000 0.000 0.254 385 L C -0.228 176.646 176.870 0.006 0.000 1.048 385 L CA -1.235 53.599 54.840 -0.010 0.000 0.855 385 L CB 2.374 44.428 42.059 -0.008 0.000 1.466 385 L HN 1.007 nan 8.230 nan 0.000 0.409 386 N N -0.208 118.495 118.700 0.006 0.000 2.347 386 N HA 0.287 5.027 4.740 -0.000 0.000 0.253 386 N C -2.370 173.120 175.510 -0.035 0.000 1.274 386 N CA -1.545 51.500 53.050 -0.008 0.000 0.941 386 N CB -0.187 38.289 38.487 -0.018 0.000 1.200 386 N HN 0.187 nan 8.380 nan 0.000 0.514 387 P HA -0.132 nan 4.420 nan 0.000 0.223 387 P C 0.613 177.839 177.300 -0.124 0.000 1.144 387 P CA 1.197 64.257 63.100 -0.067 0.000 0.783 387 P CB 0.135 31.813 31.700 -0.038 0.000 0.771 388 E N -0.749 119.335 120.200 -0.193 0.000 2.442 388 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 388 E C 0.836 177.176 176.600 -0.434 0.000 1.030 388 E CA 0.575 56.753 56.400 -0.371 0.000 0.869 388 E CB -0.345 29.015 29.700 -0.565 0.000 0.857 388 E HN 0.121 nan 8.360 nan 0.000 0.505 389 G N -0.021 108.660 108.800 -0.199 0.000 2.140 389 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.211 389 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.211 389 G C 0.147 175.201 174.900 0.256 0.000 1.013 389 G CA 0.012 45.128 45.100 0.027 0.000 0.705 389 G HN 0.592 nan 8.290 nan 0.000 0.508 390 G N -0.722 108.144 108.800 0.109 0.000 3.166 390 G HA2 0.881 4.841 3.960 -0.000 0.000 0.267 390 G HA3 0.881 4.841 3.960 -0.000 0.000 0.267 390 G C -2.865 172.156 174.900 0.202 0.000 1.256 390 G CA -0.365 44.939 45.100 0.340 0.000 0.859 390 G HN 0.266 nan 8.290 nan 0.000 0.590 391 P HA 0.151 nan 4.420 nan 0.000 0.272 391 P C -1.120 176.298 177.300 0.196 0.000 1.230 391 P CA -0.047 63.194 63.100 0.234 0.000 0.788 391 P CB 1.215 33.004 31.700 0.148 0.000 0.949 392 N N 2.056 120.816 118.700 0.101 0.000 2.542 392 N HA 0.035 4.775 4.740 -0.000 0.000 0.288 392 N C 0.929 176.292 175.510 -0.246 0.000 1.115 392 N CA -0.609 52.238 53.050 -0.338 0.000 0.924 392 N CB 0.873 38.859 38.487 -0.834 0.000 1.526 392 N HN 0.553 nan 8.380 nan 0.000 0.515 393 W N 4.272 125.409 121.300 -0.272 0.000 2.468 393 W HA 0.016 4.676 4.660 -0.000 0.000 0.262 393 W C 0.338 176.740 176.519 -0.194 0.000 1.241 393 W CA 0.833 58.072 57.345 -0.177 0.000 1.232 393 W CB -0.752 28.637 29.460 -0.120 0.000 1.124 393 W HN 0.251 nan 8.180 nan 0.000 0.597 394 V N -1.277 118.101 119.914 -0.893 0.000 3.214 394 V HA 0.417 4.537 4.120 -0.000 0.000 0.330 394 V C 1.053 176.761 176.094 -0.643 0.000 1.403 394 V CA -0.507 61.300 62.300 -0.821 0.000 1.143 394 V CB -0.797 30.437 31.823 -0.982 0.000 1.098 394 V HN 0.170 nan 8.190 nan 0.000 0.463 395 R N 0.474 120.508 120.500 -0.776 0.000 3.641 395 R HA -0.217 4.123 4.340 -0.000 0.000 0.286 395 R C 0.453 176.024 176.300 -1.215 0.000 1.153 395 R CA 1.025 56.358 56.100 -1.278 0.000 0.775 395 R CB -2.309 27.584 30.300 -0.678 0.000 1.215 395 R HN 0.687 nan 8.270 nan 0.000 0.474 396 N N 1.199 119.357 118.700 -0.902 0.000 3.259 396 N HA 0.091 4.831 4.740 -0.000 0.000 0.308 396 N C -0.390 174.937 175.510 -0.305 0.000 1.334 396 N CA -0.120 52.639 53.050 -0.485 0.000 1.202 396 N CB -0.041 38.227 38.487 -0.365 0.000 1.485 396 N HN 0.174 nan 8.380 nan 0.000 0.549 397 F N -0.074 119.860 119.950 -0.027 0.000 2.553 397 F HA 0.133 4.659 4.527 -0.000 0.000 0.356 397 F C 1.272 177.210 175.800 0.231 0.000 1.142 397 F CA -0.354 57.718 58.000 0.121 0.000 1.322 397 F CB 0.368 39.412 39.000 0.073 0.000 1.126 397 F HN -0.033 nan 8.300 nan 0.000 0.599 398 V N -1.618 118.609 119.914 0.521 0.000 3.112 398 V HA 0.549 4.668 4.120 -0.000 0.000 0.310 398 V C -1.090 175.126 176.094 0.204 0.000 1.364 398 V CA -1.039 61.463 62.300 0.337 0.000 1.058 398 V CB 1.747 33.798 31.823 0.380 0.000 1.079 398 V HN 0.575 nan 8.190 nan 0.000 0.463 399 D N 0.065 120.546 120.400 0.135 0.000 2.388 399 D HA 0.720 5.360 4.640 -0.000 0.000 0.254 399 D C -0.610 175.722 176.300 0.053 0.000 1.111 399 D CA 0.274 54.310 54.000 0.060 0.000 0.993 399 D CB 1.966 42.776 40.800 0.017 0.000 1.118 399 D HN 0.951 nan 8.370 nan 0.000 0.502 400 S N -0.176 115.537 115.700 0.021 0.000 2.537 400 S HA 0.438 4.908 4.470 -0.000 0.000 0.270 400 S C -2.314 172.317 174.600 0.051 0.000 1.142 400 S CA -1.194 57.031 58.200 0.042 0.000 0.870 400 S CB 1.766 64.967 63.200 0.002 0.000 1.112 400 S HN 0.092 nan 8.310 nan 0.000 0.466 401 P HA 0.124 nan 4.420 nan 0.000 0.219 401 P C -0.347 177.032 177.300 0.131 0.000 1.146 401 P CA 1.119 64.305 63.100 0.143 0.000 0.808 401 P CB 0.065 31.954 31.700 0.315 0.000 0.779 402 I N -0.300 120.343 120.570 0.121 0.000 2.447 402 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 402 I C -0.562 175.593 176.117 0.063 0.000 1.023 402 I CA -0.933 60.398 61.300 0.052 0.000 1.083 402 I CB 2.202 40.167 38.000 -0.058 0.000 1.245 402 I HN -0.294 nan 8.210 nan 0.000 0.434 403 I N 7.074 127.703 120.570 0.100 0.000 2.362 403 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 403 I C 0.005 176.183 176.117 0.100 0.000 0.994 403 I CA -0.748 60.611 61.300 0.099 0.000 1.158 403 I CB 1.755 39.826 38.000 0.119 0.000 1.315 403 I HN 0.120 nan 8.210 nan 0.000 0.451 404 V N 5.520 125.463 119.914 0.048 0.000 2.439 404 V HA 0.281 4.401 4.120 -0.000 0.000 0.282 404 V C 0.051 176.157 176.094 0.020 0.000 1.039 404 V CA -0.482 61.832 62.300 0.023 0.000 0.913 404 V CB 1.844 33.669 31.823 0.002 0.000 0.983 404 V HN 0.616 nan 8.190 nan 0.000 0.460 405 D N 4.267 124.656 120.400 -0.018 0.000 2.477 405 D HA 0.357 4.997 4.640 -0.000 0.000 0.239 405 D C 1.019 177.327 176.300 0.013 0.000 1.102 405 D CA -0.290 53.727 54.000 0.027 0.000 0.901 405 D CB 1.065 41.910 40.800 0.075 0.000 1.026 405 D HN 0.435 nan 8.370 nan 0.000 0.515 406 I N 1.365 121.948 120.570 0.020 0.000 2.194 406 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 406 I C 2.449 178.579 176.117 0.022 0.000 1.093 406 I CA 1.562 62.873 61.300 0.019 0.000 1.355 406 I CB -0.320 37.691 38.000 0.018 0.000 1.046 406 I HN 0.426 nan 8.210 nan 0.000 0.413 407 T N -1.488 113.084 114.554 0.029 0.000 2.977 407 T HA -0.162 4.187 4.350 -0.000 0.000 0.271 407 T C 1.501 176.219 174.700 0.030 0.000 1.105 407 T CA 1.112 63.230 62.100 0.031 0.000 1.116 407 T CB -0.240 68.651 68.868 0.038 0.000 0.878 407 T HN 0.398 nan 8.240 nan 0.000 0.509 408 K N 0.343 120.760 120.400 0.029 0.000 2.374 408 K HA 0.172 4.492 4.320 -0.000 0.000 0.202 408 K C 0.140 176.740 176.600 -0.000 0.000 1.040 408 K CA 0.236 56.536 56.287 0.021 0.000 1.085 408 K CB 0.405 32.929 32.500 0.040 0.000 0.873 408 K HN 0.180 nan 8.250 nan 0.000 0.539 409 D N 1.866 122.269 120.400 0.004 0.000 2.686 409 D HA -0.142 4.498 4.640 -0.000 0.000 0.235 409 D C -1.249 175.046 176.300 -0.008 0.000 1.160 409 D CA 1.066 55.073 54.000 0.012 0.000 0.645 409 D CB -0.850 39.959 40.800 0.015 0.000 1.039 409 D HN 0.128 nan 8.370 nan 0.000 0.423 410 T N 0.490 115.011 114.554 -0.054 0.000 2.903 410 T HA 0.694 5.044 4.350 -0.000 0.000 0.299 410 T C -0.457 174.099 174.700 -0.239 0.000 1.093 410 T CA -0.680 61.301 62.100 -0.197 0.000 1.002 410 T CB 1.222 69.913 68.868 -0.295 0.000 1.127 410 T HN 0.205 nan 8.240 nan 0.000 0.488 411 F N 0.046 119.718 119.950 -0.463 0.000 2.588 411 F HA 0.809 5.336 4.527 -0.000 0.000 0.310 411 F C -1.815 173.668 175.800 -0.529 0.000 1.082 411 F CA -1.573 56.145 58.000 -0.470 0.000 0.929 411 F CB 1.036 39.887 39.000 -0.247 0.000 1.254 411 F HN 0.477 nan 8.300 nan 0.000 0.455 412 Y N 1.372 121.720 120.300 0.080 0.000 2.352 412 Y HA 0.502 5.051 4.550 -0.000 0.000 0.339 412 Y C -0.283 175.621 175.900 0.007 0.000 0.992 412 Y CA -1.098 56.999 58.100 -0.005 0.000 1.100 412 Y CB 1.921 40.369 38.460 -0.020 0.000 1.192 412 Y HN 0.439 nan 8.280 nan 0.000 0.458 413 K N 4.557 125.017 120.400 0.100 0.000 2.264 413 K HA 0.254 4.574 4.320 -0.000 0.000 0.277 413 K C -0.422 176.304 176.600 0.211 0.000 1.067 413 K CA -0.552 55.704 56.287 -0.051 0.000 0.900 413 K CB 1.016 33.238 32.500 -0.463 0.000 1.124 413 K HN 0.682 nan 8.250 nan 0.000 0.469 414 Q N 2.217 122.131 119.800 0.192 0.000 2.396 414 Q HA 0.077 4.416 4.340 -0.000 0.000 0.221 414 Q C -1.731 174.503 176.000 0.391 0.000 1.025 414 Q CA -1.822 54.123 55.803 0.236 0.000 0.946 414 Q CB 0.268 29.062 28.738 0.093 0.000 1.224 414 Q HN 0.226 nan 8.270 nan 0.000 0.539 415 P HA -0.192 nan 4.420 nan 0.000 0.216 415 P C 1.206 178.698 177.300 0.321 0.000 1.150 415 P CA 1.672 65.022 63.100 0.416 0.000 0.843 415 P CB 0.110 31.948 31.700 0.230 0.000 0.787 416 M N -2.796 116.828 119.600 0.040 0.000 2.108 416 M HA -0.194 4.285 4.480 -0.000 0.000 0.261 416 M C 2.010 178.351 176.300 0.068 0.000 1.066 416 M CA 1.822 57.018 55.300 -0.174 0.000 1.107 416 M CB -0.913 31.345 32.600 -0.571 0.000 1.356 416 M HN -0.073 nan 8.290 nan 0.000 0.406 417 F N 0.377 120.317 119.950 -0.018 0.000 2.065 417 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 417 F C 1.902 177.616 175.800 -0.144 0.000 1.112 417 F CA 1.813 59.739 58.000 -0.123 0.000 1.212 417 F CB -0.515 38.249 39.000 -0.393 0.000 0.975 417 F HN 0.028 nan 8.300 nan 0.000 0.476 418 Y N -0.810 119.679 120.300 0.315 0.000 2.263 418 Y HA -0.182 4.368 4.550 -0.000 0.000 0.292 418 Y C 2.795 178.825 175.900 0.217 0.000 1.130 418 Y CA 1.708 59.950 58.100 0.236 0.000 1.179 418 Y CB -1.040 37.639 38.460 0.364 0.000 0.998 418 Y HN 0.174 nan 8.280 nan 0.000 0.532 419 H N -0.477 118.756 119.070 0.271 0.000 2.387 419 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 419 H C 2.268 177.766 175.328 0.284 0.000 1.090 419 H CA 1.623 57.799 56.048 0.213 0.000 1.332 419 H CB -0.176 29.602 29.762 0.027 0.000 1.386 419 H HN 0.355 nan 8.280 nan 0.000 0.516 420 L N -0.205 121.186 121.223 0.278 0.000 2.072 420 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 420 L C 2.760 179.681 176.870 0.084 0.000 1.079 420 L CA 0.914 55.876 54.840 0.204 0.000 0.752 420 L CB -0.426 41.789 42.059 0.260 0.000 0.906 420 L HN 0.259 nan 8.230 nan 0.000 0.436 421 G N -1.672 107.063 108.800 -0.109 0.000 2.450 421 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 421 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 421 G C 1.333 176.092 174.900 -0.235 0.000 1.130 421 G CA 0.473 45.399 45.100 -0.289 0.000 0.760 421 G HN 0.447 nan 8.290 nan 0.000 0.557 422 H N -0.907 118.122 119.070 -0.069 0.000 2.518 422 H HA -0.014 4.542 4.556 -0.000 0.000 0.289 422 H C 1.728 176.858 175.328 -0.329 0.000 1.051 422 H CA 1.124 57.104 56.048 -0.114 0.000 1.280 422 H CB 0.109 29.729 29.762 -0.236 0.000 1.380 422 H HN 0.498 nan 8.280 nan 0.000 0.566 423 F N -0.605 119.245 119.950 -0.168 0.000 2.532 423 F HA -0.050 4.477 4.527 -0.000 0.000 0.278 423 F C 2.779 178.128 175.800 -0.751 0.000 0.975 423 F CA 0.593 58.331 58.000 -0.437 0.000 1.292 423 F CB -0.533 38.055 39.000 -0.688 0.000 1.112 423 F HN -0.010 nan 8.300 nan 0.000 0.703 424 S N 0.634 115.959 115.700 -0.626 0.000 2.383 424 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 424 S C 1.989 176.366 174.600 -0.371 0.000 1.030 424 S CA 1.609 59.513 58.200 -0.493 0.000 1.002 424 S CB -0.616 62.527 63.200 -0.095 0.000 0.829 424 S HN 0.397 nan 8.310 nan 0.000 0.467 425 K N 0.134 120.164 120.400 -0.616 0.000 2.217 425 K HA 0.089 4.409 4.320 -0.000 0.000 0.202 425 K C 0.564 176.544 176.600 -1.032 0.000 1.051 425 K CA 0.963 56.676 56.287 -0.957 0.000 0.952 425 K CB -0.115 31.462 32.500 -1.537 0.000 0.736 425 K HN 0.570 nan 8.250 nan 0.000 0.453 426 F N 0.123 119.894 119.950 -0.299 0.000 2.661 426 F HA 0.325 4.852 4.527 -0.000 0.000 0.306 426 F C 0.055 175.817 175.800 -0.063 0.000 1.094 426 F CA -0.521 57.365 58.000 -0.191 0.000 1.254 426 F CB 0.813 39.695 39.000 -0.197 0.000 1.040 426 F HN -0.185 nan 8.300 nan 0.000 0.562 427 I N 3.291 123.859 120.570 -0.002 0.000 2.698 427 I HA 0.236 4.406 4.170 -0.000 0.000 0.276 427 I C -2.447 173.698 176.117 0.047 0.000 1.166 427 I CA -1.969 59.375 61.300 0.074 0.000 1.101 427 I CB 0.913 39.065 38.000 0.253 0.000 1.305 427 I HN -0.214 nan 8.210 nan 0.000 0.526 428 P HA 0.036 nan 4.420 nan 0.000 0.272 428 P C -0.193 177.100 177.300 -0.012 0.000 1.240 428 P CA -0.206 62.843 63.100 -0.085 0.000 0.791 428 P CB 0.890 32.481 31.700 -0.181 0.000 0.978 429 E N -0.006 120.191 120.200 -0.006 0.000 2.465 429 E HA 0.201 4.551 4.350 -0.000 0.000 0.260 429 E C 1.015 177.615 176.600 0.001 0.000 0.980 429 E CA 0.849 57.242 56.400 -0.012 0.000 0.927 429 E CB -0.638 29.032 29.700 -0.050 0.000 0.934 429 E HN 0.773 nan 8.360 nan 0.000 0.459 430 G N 3.035 111.849 108.800 0.022 0.000 2.254 430 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.225 430 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.225 430 G C 0.231 175.172 174.900 0.068 0.000 1.003 430 G CA 0.062 45.187 45.100 0.042 0.000 0.622 430 G HN 0.612 nan 8.290 nan 0.000 0.507 431 S N 0.452 116.197 115.700 0.074 0.000 2.563 431 S HA 0.425 4.895 4.470 -0.000 0.000 0.284 431 S C 0.186 174.864 174.600 0.129 0.000 1.331 431 S CA 0.665 58.937 58.200 0.121 0.000 1.047 431 S CB 1.461 64.749 63.200 0.147 0.000 0.859 431 S HN 0.706 nan 8.310 nan 0.000 0.514 432 Q N 1.707 121.590 119.800 0.138 0.000 2.321 432 Q HA 0.325 4.665 4.340 -0.000 0.000 0.270 432 Q C -0.499 175.594 176.000 0.156 0.000 1.032 432 Q CA -0.771 55.115 55.803 0.138 0.000 0.784 432 Q CB 1.071 29.879 28.738 0.117 0.000 1.264 432 Q HN 0.618 nan 8.270 nan 0.000 0.448 433 R N 2.725 123.332 120.500 0.178 0.000 2.537 433 R HA 0.269 4.608 4.340 -0.000 0.000 0.280 433 R C -0.525 175.954 176.300 0.299 0.000 1.058 433 R CA 0.213 56.421 56.100 0.180 0.000 1.057 433 R CB 0.403 30.768 30.300 0.108 0.000 0.973 433 R HN 0.522 nan 8.270 nan 0.000 0.438 434 V N 0.780 120.843 119.914 0.248 0.000 3.155 434 V HA 0.739 4.859 4.120 -0.000 0.000 0.313 434 V C 0.333 176.606 176.094 0.298 0.000 1.162 434 V CA -0.779 61.713 62.300 0.321 0.000 1.048 434 V CB 1.370 33.288 31.823 0.157 0.000 1.092 434 V HN 0.832 nan 8.190 nan 0.000 0.447 435 G N 0.040 109.052 108.800 0.354 0.000 2.544 435 G HA2 0.530 4.490 3.960 -0.000 0.000 0.242 435 G HA3 0.530 4.490 3.960 -0.000 0.000 0.242 435 G C -1.051 173.913 174.900 0.107 0.000 1.247 435 G CA -0.123 45.127 45.100 0.250 0.000 0.840 435 G HN 1.315 nan 8.290 nan 0.000 0.578 436 L N 2.153 123.409 121.223 0.055 0.000 2.680 436 L HA 0.408 4.748 4.340 -0.000 0.000 0.260 436 L C -0.262 176.618 176.870 0.016 0.000 0.975 436 L CA -0.682 54.178 54.840 0.034 0.000 0.920 436 L CB 1.775 43.851 42.059 0.028 0.000 1.234 436 L HN 0.625 nan 8.230 nan 0.000 0.429 437 V N 2.049 121.975 119.914 0.020 0.000 2.532 437 V HA 1.010 5.130 4.120 -0.000 0.000 0.295 437 V C 0.480 176.579 176.094 0.008 0.000 1.041 437 V CA -0.157 62.152 62.300 0.014 0.000 0.926 437 V CB 1.315 33.151 31.823 0.022 0.000 0.992 437 V HN 0.903 nan 8.190 nan 0.000 0.457 438 A N 3.364 126.189 122.820 0.007 0.000 2.310 438 A HA 0.633 4.953 4.320 -0.000 0.000 0.299 438 A C 1.205 178.795 177.584 0.010 0.000 1.147 438 A CA 0.051 52.091 52.037 0.005 0.000 0.818 438 A CB 1.173 20.177 19.000 0.007 0.000 1.096 438 A HN 1.700 nan 8.150 nan 0.000 0.495 439 S N 0.660 116.365 115.700 0.009 0.000 2.489 439 S HA 0.091 4.560 4.470 -0.000 0.000 0.228 439 S C 0.501 175.111 174.600 0.017 0.000 0.995 439 S CA 0.790 59.000 58.200 0.016 0.000 0.934 439 S CB -0.442 62.770 63.200 0.021 0.000 0.771 439 S HN 0.955 nan 8.310 nan 0.000 0.522 440 Q N -0.491 119.317 119.800 0.014 0.000 2.578 440 Q HA 0.443 4.783 4.340 -0.000 0.000 0.284 440 Q C -1.873 174.135 176.000 0.013 0.000 0.960 440 Q CA -1.257 54.554 55.803 0.014 0.000 0.809 440 Q CB 0.772 29.518 28.738 0.013 0.000 1.462 440 Q HN -0.015 nan 8.270 nan 0.000 0.392 441 K N 1.530 121.939 120.400 0.015 0.000 2.489 441 K HA 0.137 4.456 4.320 -0.000 0.000 0.278 441 K C -0.455 176.154 176.600 0.014 0.000 1.000 441 K CA 0.835 57.132 56.287 0.016 0.000 1.012 441 K CB -0.026 32.484 32.500 0.017 0.000 0.903 441 K HN 0.757 nan 8.250 nan 0.000 0.485 442 N N -0.353 118.357 118.700 0.016 0.000 2.732 442 N HA 0.204 4.943 4.740 -0.000 0.000 0.259 442 N C -1.068 174.454 175.510 0.019 0.000 1.402 442 N CA -0.892 52.166 53.050 0.013 0.000 0.829 442 N CB 1.230 39.723 38.487 0.010 0.000 1.495 442 N HN 0.216 nan 8.380 nan 0.000 0.511 443 D N -0.190 120.219 120.400 0.015 0.000 2.342 443 D HA 0.210 4.850 4.640 -0.000 0.000 0.221 443 D C -0.076 176.243 176.300 0.033 0.000 1.101 443 D CA 0.146 54.158 54.000 0.021 0.000 0.837 443 D CB 0.158 40.962 40.800 0.007 0.000 0.938 443 D HN 0.372 nan 8.370 nan 0.000 0.508 444 L N 0.640 121.883 121.223 0.034 0.000 2.399 444 L HA 0.307 4.647 4.340 -0.000 0.000 0.265 444 L C 0.369 177.283 176.870 0.075 0.000 1.089 444 L CA -0.474 54.395 54.840 0.048 0.000 0.802 444 L CB 1.085 43.163 42.059 0.031 0.000 1.180 444 L HN -0.276 nan 8.230 nan 0.000 0.454 445 D N 1.588 122.049 120.400 0.103 0.000 2.344 445 D HA 0.632 5.272 4.640 -0.000 0.000 0.239 445 D C -0.726 175.640 176.300 0.111 0.000 1.064 445 D CA -0.039 54.038 54.000 0.128 0.000 0.829 445 D CB 2.306 43.231 40.800 0.208 0.000 1.129 445 D HN 0.595 nan 8.370 nan 0.000 0.506 446 A N 1.521 124.393 122.820 0.086 0.000 2.587 446 A HA 0.746 5.066 4.320 -0.000 0.000 0.293 446 A C -1.465 176.162 177.584 0.071 0.000 1.087 446 A CA -0.761 51.327 52.037 0.086 0.000 0.692 446 A CB 2.272 21.312 19.000 0.066 0.000 1.291 446 A HN 0.344 nan 8.150 nan 0.000 0.407 447 V N -0.111 119.857 119.914 0.089 0.000 2.969 447 V HA 0.806 4.926 4.120 -0.000 0.000 0.304 447 V C -0.794 175.349 176.094 0.082 0.000 1.192 447 V CA 0.263 62.605 62.300 0.071 0.000 0.962 447 V CB 1.865 33.754 31.823 0.110 0.000 1.045 447 V HN 2.185 nan 8.190 nan 0.000 0.428 448 A N 6.020 128.875 122.820 0.058 0.000 2.365 448 A HA 1.018 5.338 4.320 -0.000 0.000 0.318 448 A C -1.641 175.982 177.584 0.065 0.000 1.091 448 A CA -0.541 51.531 52.037 0.059 0.000 0.763 448 A CB 1.599 20.634 19.000 0.058 0.000 1.248 448 A HN 0.954 nan 8.150 nan 0.000 0.442 449 L N 0.800 122.055 121.223 0.052 0.000 2.409 449 L HA 0.646 4.986 4.340 -0.000 0.000 0.255 449 L C -0.378 176.516 176.870 0.040 0.000 1.027 449 L CA -0.106 54.788 54.840 0.089 0.000 0.834 449 L CB 2.028 44.182 42.059 0.158 0.000 1.426 449 L HN 0.745 nan 8.230 nan 0.000 0.411 450 M N 0.499 120.148 119.600 0.081 0.000 2.243 450 M HA 0.439 4.919 4.480 -0.000 0.000 0.324 450 M C -0.635 175.778 176.300 0.188 0.000 1.031 450 M CA -0.472 54.857 55.300 0.049 0.000 0.949 450 M CB 1.671 34.286 32.600 0.024 0.000 1.615 450 M HN 0.569 nan 8.290 nan 0.000 0.430 451 H N 2.530 121.624 119.070 0.041 0.000 2.745 451 H HA 0.048 4.603 4.556 -0.000 0.000 0.373 451 H C -1.592 173.778 175.328 0.070 0.000 1.226 451 H CA -1.512 54.586 56.048 0.083 0.000 1.435 451 H CB 0.376 30.223 29.762 0.142 0.000 1.461 451 H HN 0.422 nan 8.280 nan 0.000 0.616 452 P HA -0.171 nan 4.420 nan 0.000 0.219 452 P C 0.670 178.039 177.300 0.114 0.000 1.146 452 P CA 1.456 64.626 63.100 0.117 0.000 0.808 452 P CB 0.069 31.819 31.700 0.083 0.000 0.779 453 D N -2.340 118.154 120.400 0.157 0.000 2.340 453 D HA 0.091 4.731 4.640 -0.000 0.000 0.220 453 D C 1.464 177.806 176.300 0.069 0.000 1.039 453 D CA 0.637 54.706 54.000 0.115 0.000 0.866 453 D CB -0.783 40.109 40.800 0.153 0.000 0.913 453 D HN 0.211 nan 8.370 nan 0.000 0.523 454 G N 0.065 108.907 108.800 0.070 0.000 2.234 454 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.235 454 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.235 454 G C 0.500 175.371 174.900 -0.048 0.000 0.997 454 G CA 0.307 45.414 45.100 0.013 0.000 0.623 454 G HN 0.844 nan 8.290 nan 0.000 0.514 455 S N 0.382 116.046 115.700 -0.059 0.000 2.589 455 S HA 0.735 5.205 4.470 -0.000 0.000 0.265 455 S C 0.487 174.837 174.600 -0.417 0.000 1.342 455 S CA 0.672 58.732 58.200 -0.233 0.000 1.005 455 S CB 1.855 64.904 63.200 -0.251 0.000 0.909 455 S HN 1.955 nan 8.310 nan 0.000 0.555 456 A N 0.616 123.002 122.820 -0.724 0.000 2.311 456 A HA 0.818 5.138 4.320 -0.000 0.000 0.334 456 A C -0.499 176.577 177.584 -0.848 0.000 1.139 456 A CA -0.835 50.662 52.037 -0.900 0.000 0.830 456 A CB 1.377 19.476 19.000 -1.501 0.000 1.234 456 A HN 1.622 nan 8.150 nan 0.000 0.483 457 V N 1.863 121.456 119.914 -0.536 0.000 2.777 457 V HA 0.641 4.760 4.120 -0.000 0.000 0.306 457 V C -1.612 174.431 176.094 -0.086 0.000 1.112 457 V CA -0.312 61.846 62.300 -0.236 0.000 0.917 457 V CB 1.923 33.744 31.823 -0.003 0.000 1.018 457 V HN 0.884 nan 8.190 nan 0.000 0.426 458 V N 6.682 126.630 119.914 0.057 0.000 2.623 458 V HA 0.557 4.677 4.120 -0.000 0.000 0.304 458 V C -0.454 175.740 176.094 0.167 0.000 1.054 458 V CA -0.616 61.771 62.300 0.145 0.000 0.882 458 V CB 2.089 34.063 31.823 0.252 0.000 1.002 458 V HN 0.717 nan 8.190 nan 0.000 0.424 459 V N 5.199 125.159 119.914 0.076 0.000 2.427 459 V HA 0.592 4.712 4.120 -0.000 0.000 0.286 459 V C -0.298 175.843 176.094 0.079 0.000 1.034 459 V CA -0.550 61.738 62.300 -0.020 0.000 0.893 459 V CB 1.892 33.511 31.823 -0.340 0.000 0.982 459 V HN 0.607 nan 8.190 nan 0.000 0.452 460 V N 5.974 125.951 119.914 0.105 0.000 2.443 460 V HA 0.461 4.581 4.120 -0.000 0.000 0.293 460 V C -0.608 175.519 176.094 0.056 0.000 1.021 460 V CA -0.500 61.868 62.300 0.114 0.000 0.848 460 V CB 1.631 33.562 31.823 0.180 0.000 0.998 460 V HN 0.685 nan 8.190 nan 0.000 0.424 461 L N 4.692 125.966 121.223 0.085 0.000 2.307 461 L HA 0.695 5.035 4.340 -0.000 0.000 0.284 461 L C -0.376 176.557 176.870 0.105 0.000 1.023 461 L CA 0.136 55.041 54.840 0.110 0.000 0.810 461 L CB 1.672 43.843 42.059 0.187 0.000 1.231 461 L HN 0.622 nan 8.230 nan 0.000 0.423 462 N N 3.951 122.719 118.700 0.114 0.000 2.518 462 N HA 0.350 5.090 4.740 -0.000 0.000 0.254 462 N C 0.043 175.659 175.510 0.177 0.000 0.979 462 N CA -0.302 52.802 53.050 0.090 0.000 0.930 462 N CB 1.130 39.627 38.487 0.016 0.000 1.152 462 N HN 0.712 nan 8.380 nan 0.000 0.505 463 R N 0.516 121.111 120.500 0.159 0.000 2.317 463 R HA 0.093 4.433 4.340 -0.000 0.000 0.208 463 R C 0.698 177.121 176.300 0.206 0.000 0.914 463 R CA -0.036 56.211 56.100 0.245 0.000 1.060 463 R CB 0.212 30.591 30.300 0.132 0.000 1.015 463 R HN 0.564 nan 8.270 nan 0.000 0.498 464 S N -0.376 115.320 115.700 -0.007 0.000 2.669 464 S HA 0.096 4.566 4.470 -0.000 0.000 0.270 464 S C 1.160 175.385 174.600 -0.625 0.000 1.225 464 S CA -0.460 57.642 58.200 -0.162 0.000 0.991 464 S CB 1.783 64.922 63.200 -0.102 0.000 0.987 464 S HN 0.138 nan 8.310 nan 0.000 0.552 465 S N -0.162 115.158 115.700 -0.635 0.000 2.558 465 S HA 0.206 4.676 4.470 -0.000 0.000 0.217 465 S C 0.153 174.525 174.600 -0.380 0.000 0.975 465 S CA -0.316 57.395 58.200 -0.814 0.000 0.912 465 S CB -0.526 62.459 63.200 -0.358 0.000 0.776 465 S HN 0.701 nan 8.310 nan 0.000 0.526 466 K N 1.959 122.210 120.400 -0.249 0.000 2.159 466 K HA 0.398 4.718 4.320 -0.000 0.000 0.266 466 K C -1.277 175.255 176.600 -0.115 0.000 0.975 466 K CA -0.765 55.438 56.287 -0.140 0.000 0.865 466 K CB 0.700 33.147 32.500 -0.089 0.000 1.087 466 K HN 0.051 nan 8.250 nan 0.000 0.446 467 D N 1.361 121.713 120.400 -0.080 0.000 2.443 467 D HA 0.067 4.707 4.640 -0.000 0.000 0.239 467 D C -0.644 175.631 176.300 -0.042 0.000 1.136 467 D CA 0.097 54.064 54.000 -0.054 0.000 0.879 467 D CB 0.885 41.667 40.800 -0.030 0.000 1.195 467 D HN 0.017 nan 8.370 nan 0.000 0.443 468 V N 4.892 124.785 119.914 -0.035 0.000 2.357 468 V HA 0.274 4.394 4.120 -0.000 0.000 0.281 468 V C -2.164 173.921 176.094 -0.015 0.000 1.015 468 V CA -1.492 60.793 62.300 -0.025 0.000 0.827 468 V CB 1.562 33.368 31.823 -0.028 0.000 1.018 468 V HN 0.474 nan 8.190 nan 0.000 0.432 469 P HA 0.414 nan 4.420 nan 0.000 0.271 469 P C -0.841 176.453 177.300 -0.010 0.000 1.218 469 P CA -0.014 63.087 63.100 0.001 0.000 0.780 469 P CB 1.550 33.254 31.700 0.008 0.000 0.901 470 L N -1.040 120.167 121.223 -0.026 0.000 2.720 470 L HA 0.773 5.113 4.340 -0.000 0.000 0.261 470 L C -1.267 175.539 176.870 -0.107 0.000 1.046 470 L CA -0.764 54.043 54.840 -0.056 0.000 0.886 470 L CB 1.831 43.848 42.059 -0.069 0.000 1.493 470 L HN 0.121 nan 8.230 nan 0.000 0.407 471 T N 1.513 115.977 114.554 -0.149 0.000 2.886 471 T HA 0.668 5.018 4.350 -0.000 0.000 0.292 471 T C -0.596 173.959 174.700 -0.240 0.000 1.012 471 T CA -0.264 61.699 62.100 -0.229 0.000 0.982 471 T CB 1.686 70.322 68.868 -0.387 0.000 1.018 471 T HN 0.493 nan 8.240 nan 0.000 0.451 472 I N 2.732 123.112 120.570 -0.318 0.000 2.339 472 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 472 I C 0.147 176.055 176.117 -0.349 0.000 0.994 472 I CA -0.792 60.321 61.300 -0.311 0.000 1.191 472 I CB 1.501 39.257 38.000 -0.407 0.000 1.343 472 I HN 0.307 nan 8.210 nan 0.000 0.458 473 K N 5.387 125.610 120.400 -0.295 0.000 2.213 473 K HA 0.264 4.584 4.320 -0.000 0.000 0.270 473 K C -1.179 175.219 176.600 -0.336 0.000 1.002 473 K CA -0.457 55.535 56.287 -0.490 0.000 0.868 473 K CB 1.192 33.413 32.500 -0.465 0.000 1.093 473 K HN 0.473 nan 8.250 nan 0.000 0.454 474 D N 6.620 126.789 120.400 -0.384 0.000 2.454 474 D HA 0.190 4.829 4.640 -0.000 0.000 0.247 474 D C -1.610 174.580 176.300 -0.183 0.000 1.129 474 D CA -2.353 51.570 54.000 -0.128 0.000 0.877 474 D CB 1.759 42.603 40.800 0.074 0.000 1.082 474 D HN 0.333 nan 8.370 nan 0.000 0.537 475 P HA -0.200 nan 4.420 nan 0.000 0.219 475 P C 0.945 178.209 177.300 -0.061 0.000 1.144 475 P CA 0.907 63.939 63.100 -0.113 0.000 0.806 475 P CB 0.368 32.033 31.700 -0.058 0.000 0.771 476 A N -0.467 122.343 122.820 -0.017 0.000 2.021 476 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 476 A C 2.177 179.772 177.584 0.018 0.000 1.163 476 A CA 1.661 53.708 52.037 0.017 0.000 0.676 476 A CB -0.754 18.277 19.000 0.052 0.000 0.818 476 A HN 0.240 nan 8.150 nan 0.000 0.453 477 V N -5.566 114.345 119.914 -0.004 0.000 3.250 477 V HA 0.650 4.769 4.120 -0.000 0.000 0.240 477 V C 1.040 177.086 176.094 -0.080 0.000 1.275 477 V CA 0.907 63.198 62.300 -0.015 0.000 1.206 477 V CB -0.305 31.534 31.823 0.026 0.000 0.976 477 V HN 1.353 nan 8.190 nan 0.000 0.467 478 G N 0.494 109.171 108.800 -0.205 0.000 2.292 478 G HA2 0.189 4.149 3.960 -0.000 0.000 0.194 478 G HA3 0.189 4.149 3.960 -0.000 0.000 0.194 478 G C -1.522 173.061 174.900 -0.528 0.000 1.329 478 G CA -0.291 44.663 45.100 -0.243 0.000 1.100 478 G HN 0.341 nan 8.290 nan 0.000 0.470 479 F N 0.039 119.885 119.950 -0.173 0.000 2.495 479 F HA 0.783 5.310 4.527 -0.000 0.000 0.327 479 F C -0.060 175.554 175.800 -0.310 0.000 1.103 479 F CA -0.790 57.061 58.000 -0.249 0.000 0.949 479 F CB 2.075 40.970 39.000 -0.174 0.000 1.142 479 F HN 0.261 nan 8.300 nan 0.000 0.457 480 L N 3.077 124.111 121.223 -0.315 0.000 2.283 480 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 480 L C -0.349 176.297 176.870 -0.374 0.000 1.033 480 L CA -0.264 54.270 54.840 -0.509 0.000 0.848 480 L CB 0.892 42.363 42.059 -0.980 0.000 1.226 480 L HN 0.533 nan 8.230 nan 0.000 0.429 481 E N 2.088 122.185 120.200 -0.172 0.000 2.130 481 E HA 0.503 4.852 4.350 -0.000 0.000 0.284 481 E C -0.118 176.436 176.600 -0.076 0.000 1.018 481 E CA -0.186 56.166 56.400 -0.079 0.000 0.817 481 E CB 1.658 31.382 29.700 0.040 0.000 1.078 481 E HN 0.483 nan 8.360 nan 0.000 0.396 482 T N 2.305 116.803 114.554 -0.093 0.000 2.647 482 T HA 0.637 4.986 4.350 -0.000 0.000 0.295 482 T C -1.540 173.186 174.700 0.042 0.000 1.126 482 T CA -0.519 61.584 62.100 0.005 0.000 1.040 482 T CB 0.954 69.797 68.868 -0.042 0.000 1.472 482 T HN 0.356 nan 8.240 nan 0.000 0.500 483 I N 1.516 122.163 120.570 0.128 0.000 2.656 483 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 483 I C -0.606 175.572 176.117 0.101 0.000 1.144 483 I CA -0.912 60.443 61.300 0.091 0.000 1.038 483 I CB 2.347 40.397 38.000 0.084 0.000 1.244 483 I HN 0.516 nan 8.210 nan 0.000 0.420 484 S N 6.956 122.653 115.700 -0.005 0.000 2.466 484 S HA 0.475 4.945 4.470 -0.000 0.000 0.313 484 S C -2.466 172.075 174.600 -0.098 0.000 1.078 484 S CA -1.526 56.596 58.200 -0.131 0.000 1.115 484 S CB 0.269 63.408 63.200 -0.102 0.000 1.006 484 S HN 0.211 nan 8.310 nan 0.000 0.487 485 P HA 0.151 nan 4.420 nan 0.000 0.268 485 P C 0.384 177.648 177.300 -0.059 0.000 1.208 485 P CA 0.004 63.083 63.100 -0.035 0.000 0.777 485 P CB 0.338 32.052 31.700 0.024 0.000 0.875 486 G N 1.469 110.212 108.800 -0.095 0.000 2.491 486 G HA2 0.062 4.021 3.960 -0.000 0.000 0.238 486 G HA3 0.062 4.021 3.960 -0.000 0.000 0.238 486 G C -0.680 174.166 174.900 -0.090 0.000 1.277 486 G CA -0.272 44.704 45.100 -0.207 0.000 0.851 486 G HN 0.609 nan 8.290 nan 0.000 0.573 487 Y N -0.223 120.134 120.300 0.095 0.000 3.001 487 Y HA -0.245 4.304 4.550 -0.000 0.000 0.199 487 Y C 1.190 177.217 175.900 0.213 0.000 1.320 487 Y CA 0.415 58.634 58.100 0.199 0.000 0.974 487 Y CB -1.701 36.757 38.460 -0.003 0.000 1.291 487 Y HN 0.933 nan 8.280 nan 0.000 0.465 488 S N 0.106 116.046 115.700 0.400 0.000 2.638 488 S HA 0.894 5.363 4.470 -0.000 0.000 0.274 488 S C -0.923 173.831 174.600 0.257 0.000 1.157 488 S CA -0.832 57.571 58.200 0.337 0.000 0.826 488 S CB 3.271 66.531 63.200 0.101 0.000 1.139 488 S HN 0.501 nan 8.310 nan 0.000 0.474 489 I N 0.756 121.409 120.570 0.138 0.000 2.644 489 I HA 0.529 4.699 4.170 -0.000 0.000 0.291 489 I C -1.697 174.371 176.117 -0.081 0.000 1.180 489 I CA -0.443 60.789 61.300 -0.113 0.000 1.040 489 I CB 1.730 39.489 38.000 -0.401 0.000 1.255 489 I HN 0.954 nan 8.210 nan 0.000 0.422 490 H N 4.246 123.213 119.070 -0.172 0.000 2.690 490 H HA 0.516 5.072 4.556 -0.000 0.000 0.368 490 H C -1.065 174.192 175.328 -0.118 0.000 1.150 490 H CA -1.010 54.961 56.048 -0.129 0.000 1.174 490 H CB 2.447 32.101 29.762 -0.180 0.000 1.684 490 H HN 0.398 nan 8.280 nan 0.000 0.538 491 T N 2.688 117.232 114.554 -0.018 0.000 2.809 491 T HA 0.259 4.608 4.350 -0.000 0.000 0.284 491 T C -1.094 173.433 174.700 -0.288 0.000 0.992 491 T CA -0.644 61.389 62.100 -0.112 0.000 0.957 491 T CB 0.356 69.105 68.868 -0.198 0.000 0.942 491 T HN 0.299 nan 8.240 nan 0.000 0.439 492 Y N 2.580 122.919 120.300 0.065 0.000 2.387 492 Y HA 0.716 5.266 4.550 -0.000 0.000 0.336 492 Y C -0.213 175.791 175.900 0.173 0.000 1.067 492 Y CA -1.131 57.075 58.100 0.175 0.000 1.114 492 Y CB 1.223 39.830 38.460 0.244 0.000 1.208 492 Y HN 0.412 nan 8.280 nan 0.000 0.458 493 L N 2.957 124.424 121.223 0.407 0.000 2.422 493 L HA 0.621 4.961 4.340 -0.000 0.000 0.264 493 L C -1.412 175.723 176.870 0.443 0.000 0.984 493 L CA -0.573 54.417 54.840 0.249 0.000 0.819 493 L CB 1.828 44.010 42.059 0.206 0.000 1.330 493 L HN 0.776 nan 8.230 nan 0.000 0.410 494 W N 0.313 121.610 121.300 -0.005 0.000 3.275 494 W HA 0.564 5.224 4.660 -0.000 0.000 0.306 494 W C -1.369 174.993 176.519 -0.261 0.000 1.259 494 W CA -0.687 56.582 57.345 -0.126 0.000 1.194 494 W CB 0.402 29.877 29.460 0.026 0.000 1.375 494 W HN 0.321 nan 8.180 nan 0.000 0.564 495 H N 1.890 120.937 119.070 -0.038 0.000 2.551 495 H HA 0.412 4.968 4.556 -0.000 0.000 0.358 495 H C 0.652 176.017 175.328 0.062 0.000 1.151 495 H CA -0.134 55.809 56.048 -0.176 0.000 1.374 495 H CB 1.609 31.255 29.762 -0.194 0.000 1.473 495 H HN 0.571 nan 8.280 nan 0.000 0.574 496 R N 0.743 121.316 120.500 0.121 0.000 2.437 496 R HA 0.202 4.542 4.340 -0.000 0.000 0.257 496 R C 0.038 176.380 176.300 0.071 0.000 0.927 496 R CA 0.056 56.233 56.100 0.130 0.000 1.078 496 R CB 0.971 31.308 30.300 0.062 0.000 1.161 496 R HN 0.616 nan 8.270 nan 0.000 0.529 497 Q N 0.000 119.822 119.800 0.037 0.000 2.315 497 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 497 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 497 Q CB 0.000 28.721 28.738 -0.029 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481