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 2nsx_1_A 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 0.000 177.564 177.584 -0.034 0.000 1.274 1 A CA 0.000 52.038 52.037 0.003 0.000 0.836 1 A CB 0.000 19.002 19.000 0.003 0.000 0.831 2 R N 1.229 121.673 120.500 -0.094 0.000 2.437 2 R HA 0.525 4.861 4.340 -0.006 0.000 0.310 2 R C -2.979 173.288 176.300 -0.056 0.000 0.955 2 R CA -1.866 54.170 56.100 -0.106 0.000 0.851 2 R CB 1.957 32.052 30.300 -0.341 0.000 1.161 2 R HN 0.363 nan 8.270 nan 0.000 0.446 3 P HA 0.069 nan 4.420 nan 0.000 0.276 3 P C 0.101 177.462 177.300 0.102 0.000 1.252 3 P CA -0.606 62.522 63.100 0.047 0.000 0.802 3 P CB 0.741 32.471 31.700 0.049 0.000 1.035 4 c N 3.106 121.727 118.600 0.035 0.000 2.633 4 c HA 0.245 4.812 4.570 -0.006 0.000 0.415 4 c C 0.896 175.010 174.090 0.039 0.000 1.393 4 c CA -0.408 55.946 56.329 0.041 0.000 1.700 4 c CB -2.486 39.999 42.510 -0.040 0.000 2.541 4 c HN 0.477 nan 8.230 nan 0.000 0.603 5 I N 8.214 128.807 120.570 0.039 0.000 2.291 5 I HA 0.525 4.692 4.170 -0.006 0.000 0.290 5 I C -2.144 173.962 176.117 -0.018 0.000 1.050 5 I CA -2.313 58.957 61.300 -0.050 0.000 1.245 5 I CB 0.738 38.614 38.000 -0.207 0.000 1.405 5 I HN 0.501 nan 8.210 nan 0.000 0.478 6 P HA 0.316 nan 4.420 nan 0.000 0.276 6 P C -1.317 175.974 177.300 -0.016 0.000 1.244 6 P CA -0.616 62.483 63.100 -0.003 0.000 0.801 6 P CB 1.222 32.912 31.700 -0.017 0.000 1.006 7 K N 0.391 120.792 120.400 0.002 0.000 2.571 7 K HA 0.377 4.693 4.320 -0.006 0.000 0.252 7 K C -1.066 175.497 176.600 -0.062 0.000 0.956 7 K CA -0.474 55.766 56.287 -0.077 0.000 0.822 7 K CB 1.481 33.925 32.500 -0.094 0.000 1.286 7 K HN 0.361 nan 8.250 nan 0.000 0.439 8 S N 3.206 118.817 115.700 -0.149 0.000 2.586 8 S HA 0.484 4.950 4.470 -0.006 0.000 0.274 8 S C -0.395 174.035 174.600 -0.283 0.000 1.281 8 S CA -0.417 57.728 58.200 -0.091 0.000 1.035 8 S CB 0.296 63.447 63.200 -0.082 0.000 0.962 8 S HN 0.534 nan 8.310 nan 0.000 0.512 9 F N 2.310 122.231 119.950 -0.050 0.000 2.764 9 F HA 0.396 4.920 4.527 -0.006 0.000 0.310 9 F C 1.582 177.282 175.800 -0.166 0.000 1.124 9 F CA 0.140 58.099 58.000 -0.069 0.000 1.252 9 F CB 0.697 39.692 39.000 -0.009 0.000 1.010 9 F HN 0.902 nan 8.300 nan 0.000 0.518 10 G N -0.827 107.928 108.800 -0.074 0.000 2.176 10 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.232 10 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.232 10 G C 0.094 174.772 174.900 -0.370 0.000 0.986 10 G CA -0.290 44.660 45.100 -0.249 0.000 0.643 10 G HN 0.343 nan 8.290 nan 0.000 0.522 11 Y N 0.726 121.070 120.300 0.073 0.000 2.534 11 Y HA 0.462 5.008 4.550 -0.006 0.000 0.338 11 Y C 2.236 178.167 175.900 0.051 0.000 1.279 11 Y CA 0.177 58.314 58.100 0.062 0.000 1.436 11 Y CB 0.610 39.113 38.460 0.071 0.000 1.573 11 Y HN 0.208 nan 8.280 nan 0.000 0.567 12 S N -1.317 114.524 115.700 0.235 0.000 2.469 12 S HA -0.029 4.438 4.470 -0.006 0.000 0.238 12 S C 0.667 175.320 174.600 0.089 0.000 0.998 12 S CA 1.011 59.278 58.200 0.112 0.000 0.957 12 S CB -0.170 63.076 63.200 0.077 0.000 0.764 12 S HN 0.467 nan 8.310 nan 0.000 0.514 13 S N -0.781 115.021 115.700 0.169 0.000 2.880 13 S HA 0.670 5.137 4.470 -0.006 0.000 0.308 13 S C -0.859 173.842 174.600 0.168 0.000 1.195 13 S CA -0.257 58.029 58.200 0.142 0.000 0.866 13 S CB 1.078 64.421 63.200 0.239 0.000 1.254 13 S HN 0.774 nan 8.310 nan 0.000 0.571 14 V N 0.880 120.885 119.914 0.152 0.000 2.966 14 V HA 0.947 5.063 4.120 -0.006 0.000 0.317 14 V C 0.138 176.348 176.094 0.193 0.000 1.070 14 V CA -0.432 61.954 62.300 0.142 0.000 1.008 14 V CB 0.996 32.861 31.823 0.071 0.000 1.070 14 V HN 0.871 nan 8.190 nan 0.000 0.457 15 V N -0.457 119.576 119.914 0.197 0.000 3.096 15 V HA 0.703 4.819 4.120 -0.006 0.000 0.319 15 V C 0.090 176.303 176.094 0.198 0.000 1.082 15 V CA -0.579 61.854 62.300 0.222 0.000 1.022 15 V CB 1.209 33.155 31.823 0.205 0.000 1.103 15 V HN 1.094 nan 8.190 nan 0.000 0.455 16 c N 1.616 120.350 118.600 0.223 0.000 2.329 16 c HA 0.710 5.276 4.570 -0.006 0.000 0.329 16 c C 0.185 174.358 174.090 0.137 0.000 1.275 16 c CA -0.550 55.872 56.329 0.154 0.000 1.726 16 c CB 0.649 43.258 42.510 0.166 0.000 2.291 16 c HN 0.758 nan 8.230 nan 0.000 0.514 17 V N 3.057 123.028 119.914 0.096 0.000 2.383 17 V HA 0.395 4.512 4.120 -0.006 0.000 0.275 17 V C 0.178 176.175 176.094 -0.162 0.000 1.036 17 V CA -0.129 62.208 62.300 0.061 0.000 0.889 17 V CB 0.534 32.438 31.823 0.134 0.000 0.985 17 V HN 1.079 nan 8.190 nan 0.000 0.459 18 c N 5.040 123.331 118.600 -0.515 0.000 2.719 18 c HA 0.887 5.454 4.570 -0.006 0.000 0.327 18 c C 0.226 173.905 174.090 -0.684 0.000 1.238 18 c CA -0.601 55.299 56.329 -0.715 0.000 1.727 18 c CB 1.685 43.359 42.510 -1.394 0.000 2.256 18 c HN 1.106 nan 8.230 nan 0.000 0.489 19 N N -0.404 118.083 118.700 -0.355 0.000 3.526 19 N HA 0.473 5.210 4.740 -0.006 0.000 0.328 19 N C 0.163 175.672 175.510 -0.001 0.000 1.601 19 N CA -0.058 52.903 53.050 -0.147 0.000 0.834 19 N CB 0.108 38.539 38.487 -0.092 0.000 1.983 19 N HN 0.512 nan 8.380 nan 0.000 0.579 20 A N -1.061 121.776 122.820 0.027 0.000 2.015 20 A HA 0.020 4.336 4.320 -0.006 0.000 0.219 20 A C 1.468 179.082 177.584 0.050 0.000 1.163 20 A CA 2.458 54.525 52.037 0.051 0.000 0.646 20 A CB -1.222 17.800 19.000 0.037 0.000 0.806 20 A HN 0.911 nan 8.150 nan 0.000 0.448 21 T N -6.128 108.458 114.554 0.053 0.000 3.040 21 T HA 0.391 4.737 4.350 -0.006 0.000 0.266 21 T C -0.198 174.561 174.700 0.099 0.000 1.005 21 T CA -0.167 61.970 62.100 0.061 0.000 0.906 21 T CB -0.172 68.732 68.868 0.059 0.000 1.082 21 T HN 0.310 nan 8.240 nan 0.000 0.531 22 Y N 0.176 120.446 120.300 -0.051 0.000 2.401 22 Y HA 0.562 5.108 4.550 -0.006 0.000 0.330 22 Y C -1.563 174.268 175.900 -0.116 0.000 1.071 22 Y CA -1.398 56.660 58.100 -0.070 0.000 1.049 22 Y CB 1.679 40.094 38.460 -0.076 0.000 1.239 22 Y HN 0.311 nan 8.280 nan 0.000 0.437 23 c N 6.614 124.975 118.600 -0.398 0.000 2.985 23 c HA 0.399 4.965 4.570 -0.006 0.000 0.314 23 c C -1.348 172.485 174.090 -0.428 0.000 1.215 23 c CA -0.783 55.396 56.329 -0.250 0.000 1.414 23 c CB 0.900 43.351 42.510 -0.097 0.000 1.842 23 c HN 0.922 nan 8.230 nan 0.000 0.477 24 D N 3.038 123.324 120.400 -0.192 0.000 2.414 24 D HA 0.424 5.061 4.640 -0.006 0.000 0.242 24 D C -0.172 175.997 176.300 -0.219 0.000 1.129 24 D CA 0.368 54.265 54.000 -0.172 0.000 0.885 24 D CB 1.159 41.943 40.800 -0.028 0.000 1.198 24 D HN 0.830 nan 8.370 nan 0.000 0.437 25 S N 0.107 115.636 115.700 -0.286 0.000 2.643 25 S HA 0.634 5.100 4.470 -0.006 0.000 0.270 25 S C -1.055 173.325 174.600 -0.367 0.000 1.166 25 S CA -1.066 56.959 58.200 -0.291 0.000 0.815 25 S CB 0.733 63.863 63.200 -0.116 0.000 1.139 25 S HN 0.357 nan 8.310 nan 0.000 0.472 26 F N 1.108 121.095 119.950 0.061 0.000 2.440 26 F HA 0.526 5.050 4.527 -0.006 0.000 0.328 26 F C 0.825 176.666 175.800 0.070 0.000 1.070 26 F CA -0.708 57.345 58.000 0.088 0.000 1.011 26 F CB 0.736 39.794 39.000 0.096 0.000 1.226 26 F HN 0.495 nan 8.300 nan 0.000 0.491 27 D N 1.250 121.821 120.400 0.285 0.000 2.358 27 D HA 0.217 4.854 4.640 -0.006 0.000 0.244 27 D C -2.213 174.208 176.300 0.202 0.000 1.163 27 D CA -0.976 53.138 54.000 0.191 0.000 0.945 27 D CB 0.309 41.201 40.800 0.153 0.000 1.152 27 D HN 0.122 nan 8.370 nan 0.000 0.451 28 P HA 0.080 nan 4.420 nan 0.000 0.267 28 P C -2.338 175.070 177.300 0.180 0.000 1.201 28 P CA -0.623 62.568 63.100 0.151 0.000 0.775 28 P CB -0.376 31.402 31.700 0.131 0.000 0.854 29 P HA 0.081 nan 4.420 nan 0.000 0.271 29 P C -0.870 176.604 177.300 0.291 0.000 1.216 29 P CA 0.251 63.475 63.100 0.208 0.000 0.776 29 P CB 0.430 32.223 31.700 0.155 0.000 0.881 30 T N 2.140 116.842 114.554 0.246 0.000 2.863 30 T HA 0.421 4.768 4.350 -0.006 0.000 0.285 30 T C -0.300 174.565 174.700 0.274 0.000 1.009 30 T CA -0.199 62.090 62.100 0.316 0.000 0.989 30 T CB 0.661 69.642 68.868 0.189 0.000 1.004 30 T HN 0.077 nan 8.240 nan 0.000 0.455 31 F N 4.042 124.038 119.950 0.078 0.000 2.467 31 F HA 0.301 4.825 4.527 -0.006 0.000 0.349 31 F C -1.532 174.207 175.800 -0.101 0.000 1.182 31 F CA -2.600 55.447 58.000 0.078 0.000 1.279 31 F CB -0.319 38.825 39.000 0.240 0.000 1.626 31 F HN 0.290 nan 8.300 nan 0.000 0.596 32 P HA 0.150 nan 4.420 nan 0.000 0.269 32 P C -0.077 177.058 177.300 -0.275 0.000 1.215 32 P CA -0.263 62.750 63.100 -0.145 0.000 0.780 32 P CB 0.806 32.425 31.700 -0.135 0.000 0.898 33 A N 2.493 125.260 122.820 -0.089 0.000 2.448 33 A HA 0.122 4.439 4.320 -0.006 0.000 0.239 33 A C 0.331 177.920 177.584 0.008 0.000 1.080 33 A CA -0.419 51.617 52.037 -0.001 0.000 0.779 33 A CB -0.412 18.605 19.000 0.028 0.000 1.026 33 A HN 0.662 nan 8.150 nan 0.000 0.499 34 L N 1.399 122.692 121.223 0.118 0.000 2.578 34 L HA 0.369 4.705 4.340 -0.006 0.000 0.279 34 L C 1.348 178.260 176.870 0.070 0.000 1.227 34 L CA 2.247 57.168 54.840 0.136 0.000 0.900 34 L CB -0.008 42.138 42.059 0.144 0.000 1.144 34 L HN 1.686 nan 8.230 nan 0.000 0.496 35 G N 2.039 110.876 108.800 0.062 0.000 2.195 35 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.246 35 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.246 35 G C 0.372 175.272 174.900 0.000 0.000 0.984 35 G CA 0.170 45.282 45.100 0.021 0.000 0.633 35 G HN 0.869 nan 8.290 nan 0.000 0.525 36 T N 1.298 115.850 114.554 -0.005 0.000 2.829 36 T HA 0.647 4.993 4.350 -0.006 0.000 0.280 36 T C -0.322 174.390 174.700 0.020 0.000 0.999 36 T CA -0.083 61.972 62.100 -0.076 0.000 0.983 36 T CB 1.634 70.425 68.868 -0.129 0.000 0.968 36 T HN 0.863 nan 8.240 nan 0.000 0.446 37 F N -0.022 119.925 119.950 -0.004 0.000 2.541 37 F HA 0.886 5.410 4.527 -0.006 0.000 0.331 37 F C -0.174 175.649 175.800 0.038 0.000 1.057 37 F CA -1.162 56.886 58.000 0.080 0.000 0.975 37 F CB 1.011 40.059 39.000 0.080 0.000 1.246 37 F HN 0.343 nan 8.300 nan 0.000 0.484 38 S N 1.594 117.482 115.700 0.312 0.000 2.472 38 S HA 0.556 5.022 4.470 -0.006 0.000 0.303 38 S C -0.916 173.809 174.600 0.208 0.000 1.099 38 S CA -0.871 57.382 58.200 0.089 0.000 1.077 38 S CB 1.406 64.593 63.200 -0.021 0.000 1.031 38 S HN 0.758 nan 8.310 nan 0.000 0.487 39 R N 2.284 122.772 120.500 -0.021 0.000 2.480 39 R HA 0.412 4.748 4.340 -0.006 0.000 0.306 39 R C -1.939 174.083 176.300 -0.464 0.000 0.958 39 R CA -0.460 55.479 56.100 -0.268 0.000 0.861 39 R CB 0.799 30.992 30.300 -0.178 0.000 1.171 39 R HN 0.648 nan 8.270 nan 0.000 0.445 40 Y N 1.865 121.935 120.300 -0.383 0.000 2.331 40 Y HA 0.289 4.835 4.550 -0.006 0.000 0.338 40 Y C 0.048 175.885 175.900 -0.105 0.000 0.992 40 Y CA -0.481 57.496 58.100 -0.204 0.000 1.121 40 Y CB 1.820 40.142 38.460 -0.230 0.000 1.184 40 Y HN 0.541 nan 8.280 nan 0.000 0.469 41 E N 1.956 122.200 120.200 0.074 0.000 2.210 41 E HA 0.637 4.984 4.350 -0.006 0.000 0.266 41 E C -1.350 175.424 176.600 0.291 0.000 0.883 41 E CA -0.532 55.923 56.400 0.092 0.000 0.761 41 E CB 1.135 30.744 29.700 -0.151 0.000 1.156 41 E HN 0.603 nan 8.360 nan 0.000 0.412 42 S N 1.982 117.911 115.700 0.383 0.000 2.513 42 S HA 0.607 5.074 4.470 -0.006 0.000 0.299 42 S C -0.885 173.921 174.600 0.342 0.000 1.087 42 S CA -0.786 57.645 58.200 0.386 0.000 1.012 42 S CB 1.818 65.344 63.200 0.543 0.000 1.044 42 S HN 0.647 nan 8.310 nan 0.000 0.485 43 T N -1.106 113.527 114.554 0.132 0.000 2.903 43 T HA 0.480 4.826 4.350 -0.006 0.000 0.299 43 T C 0.735 174.924 174.700 -0.852 0.000 1.093 43 T CA -0.988 60.981 62.100 -0.219 0.000 1.002 43 T CB 1.721 70.530 68.868 -0.099 0.000 1.127 43 T HN 0.468 nan 8.240 nan 0.000 0.488 44 R N 1.061 120.677 120.500 -1.473 0.000 2.127 44 R HA -0.118 4.219 4.340 -0.006 0.000 0.238 44 R C 2.099 178.073 176.300 -0.543 0.000 1.134 44 R CA 2.126 57.350 56.100 -1.461 0.000 0.975 44 R CB -0.722 28.731 30.300 -1.411 0.000 0.865 44 R HN 0.816 nan 8.270 nan 0.000 0.447 45 S N -1.617 113.872 115.700 -0.351 0.000 2.474 45 S HA 0.032 4.498 4.470 -0.006 0.000 0.235 45 S C 1.339 175.866 174.600 -0.123 0.000 0.997 45 S CA 1.028 59.124 58.200 -0.174 0.000 0.949 45 S CB 0.348 63.483 63.200 -0.108 0.000 0.766 45 S HN 0.580 nan 8.310 nan 0.000 0.517 46 G N 0.391 109.110 108.800 -0.134 0.000 2.425 46 G HA2 -0.105 3.852 3.960 -0.006 0.000 0.177 46 G HA3 -0.105 3.852 3.960 -0.006 0.000 0.177 46 G C 0.029 174.905 174.900 -0.039 0.000 0.999 46 G CA -0.638 44.423 45.100 -0.065 0.000 0.723 46 G HN 0.486 nan 8.290 nan 0.000 0.491 47 R N 0.628 121.111 120.500 -0.028 0.000 2.590 47 R HA 0.550 4.887 4.340 -0.006 0.000 0.274 47 R C -0.191 176.128 176.300 0.030 0.000 1.061 47 R CA 0.085 56.189 56.100 0.007 0.000 1.081 47 R CB 0.376 30.695 30.300 0.032 0.000 0.984 47 R HN -0.014 nan 8.270 nan 0.000 0.448 48 R N 3.696 124.193 120.500 -0.005 0.000 2.467 48 R HA 0.167 4.503 4.340 -0.006 0.000 0.299 48 R C -0.184 176.170 176.300 0.090 0.000 1.120 48 R CA -0.537 55.506 56.100 -0.096 0.000 0.940 48 R CB 1.152 31.166 30.300 -0.477 0.000 1.161 48 R HN 0.804 nan 8.270 nan 0.000 0.506 49 M N 0.679 120.450 119.600 0.284 0.000 2.169 49 M HA -0.258 4.219 4.480 -0.006 0.000 0.196 49 M C -0.463 176.104 176.300 0.446 0.000 0.355 49 M CA 1.267 56.817 55.300 0.417 0.000 0.396 49 M CB -1.173 31.770 32.600 0.573 0.000 1.125 49 M HN 0.421 nan 8.290 nan 0.000 0.939 50 E N 0.970 121.310 120.200 0.235 0.000 2.290 50 E HA 0.355 4.702 4.350 -0.006 0.000 0.277 50 E C -0.305 176.280 176.600 -0.025 0.000 1.035 50 E CA -0.557 55.910 56.400 0.112 0.000 0.873 50 E CB 1.017 30.742 29.700 0.043 0.000 1.029 50 E HN 0.286 nan 8.360 nan 0.000 0.419 51 L N 3.234 124.380 121.223 -0.127 0.000 2.326 51 L HA 0.309 4.646 4.340 -0.006 0.000 0.278 51 L C -0.486 176.223 176.870 -0.269 0.000 1.092 51 L CA 0.363 54.942 54.840 -0.434 0.000 0.810 51 L CB 1.009 42.766 42.059 -0.503 0.000 1.153 51 L HN 0.565 nan 8.230 nan 0.000 0.439 52 S N 4.187 119.708 115.700 -0.299 0.000 2.671 52 S HA 0.838 5.305 4.470 -0.006 0.000 0.277 52 S C -0.708 173.748 174.600 -0.239 0.000 1.165 52 S CA -1.073 57.007 58.200 -0.201 0.000 0.822 52 S CB 1.448 64.575 63.200 -0.123 0.000 1.150 52 S HN 0.630 nan 8.310 nan 0.000 0.479 53 M N 0.040 119.474 119.600 -0.278 0.000 2.658 53 M HA 0.811 5.288 4.480 -0.006 0.000 0.295 53 M C -0.012 175.892 176.300 -0.659 0.000 1.248 53 M CA -0.489 54.518 55.300 -0.488 0.000 0.843 53 M CB 2.604 34.995 32.600 -0.347 0.000 1.749 53 M HN 1.143 nan 8.290 nan 0.000 0.464 54 G N 0.629 108.717 108.800 -1.186 0.000 2.548 54 G HA2 0.753 4.710 3.960 -0.006 0.000 0.301 54 G HA3 0.753 4.710 3.960 -0.006 0.000 0.301 54 G C -3.448 171.063 174.900 -0.648 0.000 1.349 54 G CA -0.710 43.881 45.100 -0.848 0.000 0.792 54 G HN 0.361 nan 8.290 nan 0.000 0.481 55 P HA 0.596 nan 4.420 nan 0.000 0.290 55 P C -0.705 176.695 177.300 0.166 0.000 1.283 55 P CA -0.684 62.409 63.100 -0.012 0.000 0.869 55 P CB 2.019 33.718 31.700 -0.001 0.000 1.100 56 I N 2.152 122.772 120.570 0.084 0.000 2.307 56 I HA 0.268 4.434 4.170 -0.006 0.000 0.289 56 I C 0.514 176.629 176.117 -0.002 0.000 1.021 56 I CA -0.444 60.853 61.300 -0.005 0.000 1.224 56 I CB 0.807 38.719 38.000 -0.147 0.000 1.376 56 I HN 0.226 nan 8.210 nan 0.000 0.470 57 Q N 3.696 123.519 119.800 0.038 0.000 2.215 57 Q HA 0.568 4.905 4.340 -0.006 0.000 0.256 57 Q C 0.797 176.881 176.000 0.140 0.000 0.972 57 Q CA -0.627 55.220 55.803 0.073 0.000 0.889 57 Q CB 1.970 30.754 28.738 0.078 0.000 1.281 57 Q HN 0.756 nan 8.270 nan 0.000 0.456 58 A N 1.701 124.597 122.820 0.127 0.000 2.016 58 A HA -0.004 4.313 4.320 -0.006 0.000 0.217 58 A C 0.149 177.877 177.584 0.241 0.000 1.162 58 A CA 0.685 52.831 52.037 0.182 0.000 0.662 58 A CB -0.284 18.777 19.000 0.102 0.000 0.812 58 A HN 0.781 nan 8.150 nan 0.000 0.450 59 N N -1.003 117.768 118.700 0.118 0.000 2.492 59 N HA 0.401 5.137 4.740 -0.006 0.000 0.289 59 N C -0.722 174.715 175.510 -0.121 0.000 1.133 59 N CA -0.375 52.676 53.050 0.002 0.000 0.961 59 N CB 0.731 39.214 38.487 -0.007 0.000 1.186 59 N HN 0.457 nan 8.380 nan 0.000 0.493 60 H N 0.051 118.846 119.070 -0.458 0.000 2.638 60 H HA 0.154 4.706 4.556 -0.006 0.000 0.303 60 H C 0.363 175.503 175.328 -0.314 0.000 1.034 60 H CA -0.559 55.103 56.048 -0.642 0.000 1.225 60 H CB 0.759 29.882 29.762 -1.065 0.000 1.394 60 H HN 0.767 nan 8.280 nan 0.000 0.477 61 T N 0.664 115.241 114.554 0.039 0.000 3.014 61 T HA 0.196 4.542 4.350 -0.006 0.000 0.250 61 T C 1.173 175.865 174.700 -0.013 0.000 1.060 61 T CA 0.080 62.169 62.100 -0.018 0.000 1.040 61 T CB 0.291 69.152 68.868 -0.011 0.000 0.971 61 T HN 0.517 nan 8.240 nan 0.000 0.497 62 G N 1.334 110.194 108.800 0.100 0.000 2.483 62 G HA2 0.410 4.367 3.960 -0.006 0.000 0.248 62 G HA3 0.410 4.367 3.960 -0.006 0.000 0.248 62 G C 0.657 175.503 174.900 -0.090 0.000 1.248 62 G CA 0.207 45.339 45.100 0.052 0.000 0.838 62 G HN 0.436 nan 8.290 nan 0.000 0.566 63 T N -0.882 113.629 114.554 -0.072 0.000 3.170 63 T HA 0.453 4.799 4.350 -0.006 0.000 0.288 63 T C 1.044 175.716 174.700 -0.048 0.000 0.992 63 T CA 0.456 62.492 62.100 -0.106 0.000 0.909 63 T CB 0.531 69.338 68.868 -0.103 0.000 1.133 63 T HN 0.727 nan 8.240 nan 0.000 0.530 64 G N 1.665 110.459 108.800 -0.010 0.000 2.945 64 G HA2 0.581 4.537 3.960 -0.006 0.000 0.156 64 G HA3 0.581 4.537 3.960 -0.006 0.000 0.156 64 G C -0.468 174.445 174.900 0.022 0.000 1.375 64 G CA -0.987 44.114 45.100 0.002 0.000 1.039 64 G HN 0.427 nan 8.290 nan 0.000 0.586 65 L N 0.102 121.337 121.223 0.020 0.000 2.540 65 L HA 0.443 4.779 4.340 -0.006 0.000 0.276 65 L C -0.428 176.467 176.870 0.042 0.000 1.212 65 L CA -0.081 54.775 54.840 0.026 0.000 0.893 65 L CB 0.625 42.692 42.059 0.014 0.000 1.138 65 L HN 0.324 nan 8.230 nan 0.000 0.491 66 L N 6.300 127.557 121.223 0.056 0.000 2.362 66 L HA 0.593 4.929 4.340 -0.006 0.000 0.275 66 L C -1.420 175.469 176.870 0.033 0.000 0.998 66 L CA -0.273 54.605 54.840 0.064 0.000 0.820 66 L CB 1.544 43.687 42.059 0.141 0.000 1.270 66 L HN 0.552 nan 8.230 nan 0.000 0.415 67 L N 4.847 126.071 121.223 0.001 0.000 2.319 67 L HA 0.533 4.870 4.340 -0.006 0.000 0.281 67 L C -0.440 176.426 176.870 -0.006 0.000 1.005 67 L CA -0.454 54.387 54.840 0.001 0.000 0.828 67 L CB 1.751 43.805 42.059 -0.008 0.000 1.227 67 L HN 0.587 nan 8.230 nan 0.000 0.415 68 T N 3.986 118.549 114.554 0.015 0.000 2.756 68 T HA 0.350 4.696 4.350 -0.006 0.000 0.290 68 T C -0.130 174.590 174.700 0.034 0.000 0.985 68 T CA -0.440 61.664 62.100 0.007 0.000 0.955 68 T CB 1.443 70.320 68.868 0.015 0.000 0.930 68 T HN 0.245 nan 8.240 nan 0.000 0.451 69 L N 3.833 125.087 121.223 0.052 0.000 2.490 69 L HA 0.157 4.494 4.340 -0.006 0.000 0.274 69 L C 0.160 177.066 176.870 0.059 0.000 1.201 69 L CA 0.800 55.691 54.840 0.086 0.000 0.869 69 L CB 0.357 42.512 42.059 0.160 0.000 1.123 69 L HN 0.519 nan 8.230 nan 0.000 0.484 70 Q N 6.673 126.513 119.800 0.065 0.000 2.907 70 Q HA 0.266 4.603 4.340 -0.006 0.000 0.262 70 Q C -1.940 174.087 176.000 0.045 0.000 0.997 70 Q CA -1.520 54.314 55.803 0.051 0.000 0.797 70 Q CB 1.164 29.939 28.738 0.061 0.000 1.228 70 Q HN 0.540 nan 8.270 nan 0.000 0.466 71 P HA -0.148 nan 4.420 nan 0.000 0.221 71 P C 0.646 177.944 177.300 -0.003 0.000 1.145 71 P CA 1.099 64.211 63.100 0.019 0.000 0.795 71 P CB 0.586 32.296 31.700 0.017 0.000 0.775 72 E N -0.289 119.905 120.200 -0.010 0.000 2.371 72 E HA -0.058 4.288 4.350 -0.006 0.000 0.194 72 E C 1.078 177.631 176.600 -0.078 0.000 1.012 72 E CA 0.307 56.688 56.400 -0.033 0.000 0.860 72 E CB -0.132 29.556 29.700 -0.021 0.000 0.811 72 E HN 0.451 nan 8.360 nan 0.000 0.502 73 Q N 1.950 121.700 119.800 -0.083 0.000 2.389 73 Q HA 0.050 4.387 4.340 -0.006 0.000 0.244 73 Q C -0.802 174.966 176.000 -0.387 0.000 1.056 73 Q CA -0.164 55.518 55.803 -0.203 0.000 0.908 73 Q CB 0.313 29.023 28.738 -0.046 0.000 1.273 73 Q HN -0.271 nan 8.270 nan 0.000 0.471 74 K N 3.994 124.077 120.400 -0.528 0.000 2.235 74 K HA 0.350 4.667 4.320 -0.006 0.000 0.266 74 K C -0.758 175.441 176.600 -0.668 0.000 0.980 74 K CA -0.132 55.910 56.287 -0.409 0.000 0.849 74 K CB 0.989 33.378 32.500 -0.186 0.000 1.098 74 K HN 0.380 nan 8.250 nan 0.000 0.445 75 F N 0.390 120.361 119.950 0.034 0.000 3.084 75 F HA 0.196 4.719 4.527 -0.006 0.000 0.232 75 F C 1.173 177.006 175.800 0.055 0.000 1.511 75 F CA -0.666 57.361 58.000 0.046 0.000 0.942 75 F CB -0.209 38.805 39.000 0.023 0.000 1.935 75 F HN 0.307 nan 8.300 nan 0.000 0.403 76 Q N 2.173 122.153 119.800 0.300 0.000 2.354 76 Q HA 0.265 4.601 4.340 -0.006 0.000 0.244 76 Q C -1.321 174.766 176.000 0.144 0.000 0.969 76 Q CA -0.216 55.697 55.803 0.183 0.000 0.885 76 Q CB 1.196 30.028 28.738 0.157 0.000 1.241 76 Q HN 0.476 nan 8.270 nan 0.000 0.461 77 K N 0.836 121.305 120.400 0.116 0.000 2.144 77 K HA 0.392 4.709 4.320 -0.006 0.000 0.270 77 K C -0.737 175.913 176.600 0.084 0.000 1.005 77 K CA -0.647 55.697 56.287 0.094 0.000 0.932 77 K CB 1.599 34.146 32.500 0.079 0.000 1.021 77 K HN 0.430 nan 8.250 nan 0.000 0.462 78 V N 3.830 123.785 119.914 0.068 0.000 2.461 78 V HA 0.032 4.148 4.120 -0.006 0.000 0.275 78 V C 1.071 177.166 176.094 0.001 0.000 1.047 78 V CA -0.111 62.211 62.300 0.036 0.000 0.955 78 V CB 1.259 33.126 31.823 0.074 0.000 0.988 78 V HN 0.731 nan 8.190 nan 0.000 0.471 79 K N 3.868 124.253 120.400 -0.025 0.000 2.021 79 K HA 0.330 4.647 4.320 -0.006 0.000 0.205 79 K C 0.709 177.220 176.600 -0.149 0.000 1.047 79 K CA 1.518 57.745 56.287 -0.101 0.000 0.943 79 K CB -0.150 32.305 32.500 -0.074 0.000 0.725 79 K HN 0.987 nan 8.250 nan 0.000 0.439 80 G N -2.189 106.504 108.800 -0.179 0.000 2.345 80 G HA2 0.312 4.268 3.960 -0.006 0.000 0.285 80 G HA3 0.312 4.268 3.960 -0.006 0.000 0.285 80 G C -1.598 173.053 174.900 -0.416 0.000 1.297 80 G CA -0.868 44.140 45.100 -0.153 0.000 0.875 80 G HN 0.019 nan 8.290 nan 0.000 0.506 81 F N -0.297 119.610 119.950 -0.071 0.000 2.601 81 F HA 0.836 5.359 4.527 -0.006 0.000 0.309 81 F C 0.758 176.291 175.800 -0.445 0.000 1.089 81 F CA 0.517 58.416 58.000 -0.168 0.000 0.940 81 F CB 2.430 41.366 39.000 -0.107 0.000 1.273 81 F HN 1.221 nan 8.300 nan 0.000 0.450 82 G N 0.087 108.571 108.800 -0.527 0.000 2.450 82 G HA2 0.620 4.576 3.960 -0.006 0.000 0.273 82 G HA3 0.620 4.576 3.960 -0.006 0.000 0.273 82 G C -1.170 173.316 174.900 -0.690 0.000 1.221 82 G CA -0.023 44.429 45.100 -1.080 0.000 0.900 82 G HN 1.133 nan 8.290 nan 0.000 0.483 83 G N -1.713 106.907 108.800 -0.300 0.000 2.548 83 G HA2 0.732 4.688 3.960 -0.006 0.000 0.301 83 G HA3 0.732 4.688 3.960 -0.006 0.000 0.301 83 G C -1.257 173.678 174.900 0.058 0.000 1.349 83 G CA 0.497 45.559 45.100 -0.063 0.000 0.792 83 G HN 1.773 nan 8.290 nan 0.000 0.481 84 A N -0.154 122.719 122.820 0.087 0.000 2.276 84 A HA 0.624 4.940 4.320 -0.006 0.000 0.316 84 A C 0.027 177.615 177.584 0.007 0.000 1.229 84 A CA -0.568 51.545 52.037 0.127 0.000 0.851 84 A CB 1.110 20.287 19.000 0.296 0.000 1.165 84 A HN 0.753 nan 8.150 nan 0.000 0.513 85 M N 4.163 123.807 119.600 0.073 0.000 3.596 85 M HA 0.155 4.631 4.480 -0.006 0.000 0.219 85 M C 0.874 177.178 176.300 0.006 0.000 1.471 85 M CA -0.113 55.212 55.300 0.040 0.000 1.644 85 M CB -1.117 31.538 32.600 0.092 0.000 1.083 85 M HN 0.784 nan 8.290 nan 0.000 0.579 86 T N -1.765 112.706 114.554 -0.139 0.000 2.748 86 T HA 0.133 4.480 4.350 -0.006 0.000 0.304 86 T C 0.928 175.571 174.700 -0.094 0.000 1.041 86 T CA -0.488 61.495 62.100 -0.196 0.000 1.033 86 T CB 0.621 69.181 68.868 -0.513 0.000 0.995 86 T HN 0.474 nan 8.240 nan 0.000 0.536 87 D N 0.928 121.300 120.400 -0.046 0.000 2.104 87 D HA -0.096 4.541 4.640 -0.006 0.000 0.194 87 D C 2.413 178.703 176.300 -0.016 0.000 0.994 87 D CA 1.810 55.816 54.000 0.011 0.000 0.830 87 D CB -0.916 39.923 40.800 0.065 0.000 0.959 87 D HN 0.746 nan 8.370 nan 0.000 0.452 88 A N 1.139 123.939 122.820 -0.032 0.000 1.883 88 A HA -0.122 4.194 4.320 -0.006 0.000 0.217 88 A C 2.344 179.877 177.584 -0.084 0.000 1.186 88 A CA 2.621 54.642 52.037 -0.026 0.000 0.624 88 A CB -0.821 18.212 19.000 0.054 0.000 0.822 88 A HN 0.257 nan 8.150 nan 0.000 0.444 89 A N -0.279 122.449 122.820 -0.154 0.000 1.877 89 A HA 0.167 4.483 4.320 -0.006 0.000 0.216 89 A C 2.537 180.087 177.584 -0.058 0.000 1.186 89 A CA 2.191 54.155 52.037 -0.121 0.000 0.620 89 A CB -1.095 17.817 19.000 -0.146 0.000 0.822 89 A HN 1.106 nan 8.150 nan 0.000 0.443 90 A N -0.243 122.552 122.820 -0.041 0.000 1.877 90 A HA -0.075 4.242 4.320 -0.006 0.000 0.216 90 A C 2.190 179.762 177.584 -0.021 0.000 1.186 90 A CA 1.564 53.590 52.037 -0.018 0.000 0.620 90 A CB -0.674 18.325 19.000 -0.003 0.000 0.822 90 A HN 0.473 nan 8.150 nan 0.000 0.443 91 L N -0.226 120.985 121.223 -0.020 0.000 2.042 91 L HA -0.231 4.105 4.340 -0.006 0.000 0.210 91 L C 2.453 179.311 176.870 -0.020 0.000 1.076 91 L CA 1.396 56.227 54.840 -0.016 0.000 0.749 91 L CB -0.615 41.440 42.059 -0.007 0.000 0.893 91 L HN 0.434 nan 8.230 nan 0.000 0.432 92 N N 0.155 118.838 118.700 -0.028 0.000 2.142 92 N HA -0.124 4.612 4.740 -0.006 0.000 0.186 92 N C 1.934 177.419 175.510 -0.041 0.000 1.023 92 N CA 1.420 54.451 53.050 -0.032 0.000 0.852 92 N CB -0.109 38.353 38.487 -0.042 0.000 0.998 92 N HN 0.332 nan 8.380 nan 0.000 0.424 93 I N 1.210 121.751 120.570 -0.050 0.000 2.202 93 I HA -0.203 3.964 4.170 -0.006 0.000 0.242 93 I C 1.860 177.951 176.117 -0.044 0.000 1.091 93 I CA 0.863 62.123 61.300 -0.066 0.000 1.368 93 I CB -0.191 37.777 38.000 -0.053 0.000 1.058 93 I HN 0.022 nan 8.210 nan 0.000 0.410 94 L N 0.533 121.739 121.223 -0.028 0.000 2.622 94 L HA -0.042 4.294 4.340 -0.006 0.000 0.233 94 L C 2.377 179.240 176.870 -0.013 0.000 1.156 94 L CA 0.315 55.144 54.840 -0.019 0.000 0.866 94 L CB -0.456 41.593 42.059 -0.016 0.000 0.980 94 L HN 0.221 nan 8.230 nan 0.000 0.448 95 A N -0.476 122.336 122.820 -0.014 0.000 2.178 95 A HA 0.210 4.527 4.320 -0.006 0.000 0.211 95 A C 1.036 178.620 177.584 0.001 0.000 1.157 95 A CA 0.055 52.089 52.037 -0.006 0.000 0.780 95 A CB -0.030 18.967 19.000 -0.005 0.000 0.828 95 A HN 0.239 nan 8.150 nan 0.000 0.476 96 L N 0.823 122.047 121.223 0.000 0.000 2.421 96 L HA 0.280 4.616 4.340 -0.006 0.000 0.263 96 L C 1.009 177.888 176.870 0.016 0.000 1.122 96 L CA -0.544 54.307 54.840 0.018 0.000 0.804 96 L CB 1.138 43.216 42.059 0.032 0.000 1.150 96 L HN 0.325 nan 8.230 nan 0.000 0.457 97 S N 0.419 116.134 115.700 0.026 0.000 2.579 97 S HA 0.137 4.603 4.470 -0.006 0.000 0.275 97 S C -1.937 172.676 174.600 0.023 0.000 1.345 97 S CA -0.996 57.217 58.200 0.022 0.000 1.031 97 S CB 0.713 63.927 63.200 0.024 0.000 0.892 97 S HN 0.410 nan 8.310 nan 0.000 0.529 98 P HA -0.075 nan 4.420 nan 0.000 0.216 98 P C -1.511 175.803 177.300 0.023 0.000 1.157 98 P CA 1.484 64.593 63.100 0.014 0.000 0.880 98 P CB -1.194 30.512 31.700 0.010 0.000 0.791 99 P HA -0.126 nan 4.420 nan 0.000 0.217 99 P C 1.409 178.747 177.300 0.064 0.000 1.150 99 P CA 1.864 64.987 63.100 0.038 0.000 0.832 99 P CB -0.618 31.103 31.700 0.035 0.000 0.787 100 A N -0.275 122.594 122.820 0.083 0.000 1.898 100 A HA -0.243 4.074 4.320 -0.006 0.000 0.216 100 A C 2.241 179.889 177.584 0.105 0.000 1.181 100 A CA 1.477 53.614 52.037 0.167 0.000 0.620 100 A CB -1.312 17.796 19.000 0.180 0.000 0.819 100 A HN 0.162 nan 8.150 nan 0.000 0.442 101 Q N -0.066 119.745 119.800 0.019 0.000 2.062 101 Q HA -0.229 4.107 4.340 -0.006 0.000 0.209 101 Q C 1.876 177.852 176.000 -0.041 0.000 0.996 101 Q CA 1.695 57.470 55.803 -0.047 0.000 0.859 101 Q CB -0.335 28.389 28.738 -0.023 0.000 0.920 101 Q HN 0.621 nan 8.270 nan 0.000 0.415 102 N N 0.485 119.189 118.700 0.007 0.000 2.166 102 N HA -0.121 4.615 4.740 -0.006 0.000 0.186 102 N C 1.792 177.324 175.510 0.035 0.000 1.019 102 N CA 1.004 54.068 53.050 0.023 0.000 0.856 102 N CB -0.188 38.316 38.487 0.028 0.000 0.993 102 N HN 0.240 nan 8.380 nan 0.000 0.426 103 L N 0.420 121.681 121.223 0.063 0.000 2.141 103 L HA -0.060 4.276 4.340 -0.006 0.000 0.209 103 L C 2.351 179.262 176.870 0.068 0.000 1.094 103 L CA 0.478 55.386 54.840 0.114 0.000 0.763 103 L CB -0.285 41.903 42.059 0.215 0.000 0.908 103 L HN 0.142 nan 8.230 nan 0.000 0.437 104 L N -0.335 120.773 121.223 -0.191 0.000 2.027 104 L HA -0.202 4.135 4.340 -0.006 0.000 0.206 104 L C 2.450 179.211 176.870 -0.182 0.000 1.074 104 L CA 1.310 55.795 54.840 -0.592 0.000 0.745 104 L CB -0.063 41.404 42.059 -0.986 0.000 0.898 104 L HN 0.159 nan 8.230 nan 0.000 0.433 105 L N -0.364 120.853 121.223 -0.009 0.000 2.131 105 L HA -0.236 4.101 4.340 -0.006 0.000 0.210 105 L C 2.587 179.617 176.870 0.267 0.000 1.092 105 L CA 1.334 56.303 54.840 0.216 0.000 0.759 105 L CB -0.497 41.649 42.059 0.145 0.000 0.903 105 L HN 0.249 nan 8.230 nan 0.000 0.435 106 K N -0.489 119.991 120.400 0.132 0.000 2.103 106 K HA -0.080 4.237 4.320 -0.006 0.000 0.204 106 K C 2.314 178.976 176.600 0.104 0.000 1.052 106 K CA 1.269 57.634 56.287 0.129 0.000 0.945 106 K CB -0.046 32.504 32.500 0.084 0.000 0.722 106 K HN 0.143 nan 8.250 nan 0.000 0.443 107 S N 0.366 116.086 115.700 0.035 0.000 2.370 107 S HA -0.164 4.302 4.470 -0.006 0.000 0.226 107 S C 1.775 176.400 174.600 0.041 0.000 1.033 107 S CA 1.339 59.548 58.200 0.014 0.000 1.011 107 S CB -0.292 62.783 63.200 -0.209 0.000 0.852 107 S HN 0.340 nan 8.310 nan 0.000 0.457 108 Y N -0.933 119.300 120.300 -0.113 0.000 2.231 108 Y HA 0.080 4.626 4.550 -0.006 0.000 0.294 108 Y C 1.701 177.184 175.900 -0.694 0.000 1.120 108 Y CA 0.695 58.410 58.100 -0.642 0.000 1.141 108 Y CB 0.012 37.914 38.460 -0.930 0.000 1.022 108 Y HN 0.205 nan 8.280 nan 0.000 0.523 109 F N -1.838 118.180 119.950 0.112 0.000 2.717 109 F HA 0.151 4.674 4.527 -0.006 0.000 0.295 109 F C 1.236 177.076 175.800 0.066 0.000 1.117 109 F CA -0.106 57.956 58.000 0.104 0.000 1.361 109 F CB 0.227 39.293 39.000 0.111 0.000 1.112 109 F HN -0.282 nan 8.300 nan 0.000 0.594 110 S N 0.538 116.353 115.700 0.193 0.000 2.610 110 S HA 0.029 4.496 4.470 -0.006 0.000 0.273 110 S C 1.387 176.031 174.600 0.074 0.000 1.274 110 S CA -0.494 57.785 58.200 0.133 0.000 1.023 110 S CB 0.985 64.260 63.200 0.124 0.000 0.962 110 S HN 0.448 nan 8.310 nan 0.000 0.523 111 E N 1.899 122.136 120.200 0.062 0.000 2.204 111 E HA -0.164 4.182 4.350 -0.006 0.000 0.195 111 E C 0.991 177.637 176.600 0.078 0.000 0.990 111 E CA 1.226 57.642 56.400 0.028 0.000 0.821 111 E CB -0.044 29.682 29.700 0.045 0.000 0.750 111 E HN 0.781 nan 8.360 nan 0.000 0.477 112 E N -0.011 120.266 120.200 0.128 0.000 2.478 112 E HA -0.001 4.346 4.350 -0.006 0.000 0.198 112 E C 0.835 177.621 176.600 0.310 0.000 1.046 112 E CA 0.417 56.936 56.400 0.198 0.000 0.870 112 E CB 0.412 30.183 29.700 0.119 0.000 0.818 112 E HN 0.335 nan 8.360 nan 0.000 0.527 113 G N 0.828 109.767 108.800 0.232 0.000 3.286 113 G HA2 0.351 4.307 3.960 -0.006 0.000 0.166 113 G HA3 0.351 4.307 3.960 -0.006 0.000 0.166 113 G C 0.513 175.452 174.900 0.065 0.000 1.155 113 G CA -0.406 44.846 45.100 0.254 0.000 0.871 113 G HN 0.187 nan 8.290 nan 0.000 0.637 114 I N -2.510 117.989 120.570 -0.119 0.000 4.009 114 I HA 0.531 4.697 4.170 -0.006 0.000 0.331 114 I C 1.063 177.000 176.117 -0.301 0.000 1.462 114 I CA 0.254 61.337 61.300 -0.362 0.000 1.117 114 I CB 0.646 38.330 38.000 -0.528 0.000 1.091 114 I HN 0.855 nan 8.210 nan 0.000 0.410 115 G N 1.370 110.064 108.800 -0.176 0.000 2.246 115 G HA2 -0.312 3.644 3.960 -0.006 0.000 0.273 115 G HA3 -0.312 3.644 3.960 -0.006 0.000 0.273 115 G C -0.020 174.932 174.900 0.086 0.000 1.055 115 G CA -0.126 44.937 45.100 -0.063 0.000 0.851 115 G HN 0.640 nan 8.290 nan 0.000 0.500 116 Y N 0.246 120.447 120.300 -0.165 0.000 2.702 116 Y HA 0.076 4.622 4.550 -0.006 0.000 0.336 116 Y C 1.631 177.580 175.900 0.081 0.000 1.235 116 Y CA 0.483 58.491 58.100 -0.152 0.000 1.492 116 Y CB 0.567 38.663 38.460 -0.607 0.000 1.308 116 Y HN 0.479 nan 8.280 nan 0.000 0.589 117 N N 2.351 121.177 118.700 0.210 0.000 2.232 117 N HA 0.120 4.857 4.740 -0.006 0.000 0.240 117 N C -1.167 174.402 175.510 0.097 0.000 1.307 117 N CA 0.183 53.335 53.050 0.170 0.000 0.859 117 N CB 0.386 38.928 38.487 0.091 0.000 1.260 117 N HN 0.315 nan 8.380 nan 0.000 0.501 118 I N 1.503 122.130 120.570 0.096 0.000 2.533 118 I HA 0.466 4.632 4.170 -0.006 0.000 0.290 118 I C -0.692 175.517 176.117 0.153 0.000 1.056 118 I CA -0.674 60.682 61.300 0.093 0.000 1.057 118 I CB 2.144 40.198 38.000 0.090 0.000 1.240 118 I HN -0.103 nan 8.210 nan 0.000 0.423 119 I N 5.246 125.931 120.570 0.193 0.000 2.382 119 I HA 0.395 4.561 4.170 -0.006 0.000 0.286 119 I C 0.270 176.527 176.117 0.233 0.000 1.002 119 I CA -0.605 60.819 61.300 0.207 0.000 1.135 119 I CB 1.809 39.915 38.000 0.176 0.000 1.288 119 I HN 0.504 nan 8.210 nan 0.000 0.448 120 R N 5.371 126.019 120.500 0.248 0.000 2.340 120 R HA 0.566 4.902 4.340 -0.006 0.000 0.300 120 R C -1.291 175.202 176.300 0.321 0.000 1.069 120 R CA -0.273 56.014 56.100 0.311 0.000 0.984 120 R CB 1.003 31.495 30.300 0.320 0.000 1.003 120 R HN 0.458 nan 8.270 nan 0.000 0.459 121 V N 7.599 127.734 119.914 0.370 0.000 2.376 121 V HA 0.331 4.447 4.120 -0.006 0.000 0.287 121 V C -2.228 174.050 176.094 0.306 0.000 1.015 121 V CA -2.186 60.326 62.300 0.354 0.000 0.834 121 V CB 1.655 33.766 31.823 0.480 0.000 1.001 121 V HN 0.843 nan 8.190 nan 0.000 0.428 122 P HA 0.256 nan 4.420 nan 0.000 0.271 122 P C -0.373 177.010 177.300 0.139 0.000 1.216 122 P CA -0.102 63.145 63.100 0.245 0.000 0.776 122 P CB 0.424 32.091 31.700 -0.054 0.000 0.881 123 M N 3.170 122.779 119.600 0.014 0.000 2.201 123 M HA 0.430 4.906 4.480 -0.006 0.000 0.345 123 M C 0.738 177.005 176.300 -0.055 0.000 1.352 123 M CA 0.206 55.461 55.300 -0.074 0.000 1.218 123 M CB -0.500 31.816 32.600 -0.473 0.000 1.512 123 M HN 0.583 nan 8.290 nan 0.000 0.447 124 A N 1.858 124.556 122.820 -0.203 0.000 5.953 124 A HA -0.170 4.147 4.320 -0.006 0.000 0.267 124 A C 0.327 177.601 177.584 -0.518 0.000 2.116 124 A CA 0.483 52.166 52.037 -0.589 0.000 0.711 124 A CB -1.751 16.629 19.000 -1.032 0.000 1.100 124 A HN 0.911 nan 8.150 nan 0.000 0.364 125 S N -0.294 114.863 115.700 -0.904 0.000 2.601 125 S HA 0.615 5.082 4.470 -0.006 0.000 0.271 125 S C 0.518 174.878 174.600 -0.400 0.000 1.305 125 S CA 0.124 57.886 58.200 -0.729 0.000 1.022 125 S CB 0.624 63.258 63.200 -0.945 0.000 0.940 125 S HN 2.453 nan 8.310 nan 0.000 0.525 126 C N 0.540 119.629 119.300 -0.352 0.000 3.327 126 C HA 0.647 5.103 4.460 -0.006 0.000 0.366 126 C C 1.433 176.441 174.990 0.029 0.000 2.438 126 C CA 0.005 58.790 59.018 -0.387 0.000 1.438 126 C CB 0.389 27.370 27.740 -1.264 0.000 2.876 126 C HN 0.850 nan 8.230 nan 0.000 0.483 127 D N 0.672 121.046 120.400 -0.044 0.000 2.178 127 D HA -0.120 4.516 4.640 -0.006 0.000 0.202 127 D C 0.675 176.769 176.300 -0.344 0.000 0.974 127 D CA 1.149 54.994 54.000 -0.258 0.000 0.841 127 D CB -0.536 39.763 40.800 -0.836 0.000 0.953 127 D HN 0.590 nan 8.370 nan 0.000 0.478 128 F N 1.281 121.136 119.950 -0.159 0.000 2.733 128 F HA 0.284 4.808 4.527 -0.006 0.000 0.344 128 F C 0.381 176.099 175.800 -0.136 0.000 1.179 128 F CA -0.031 57.839 58.000 -0.216 0.000 1.316 128 F CB 0.018 38.758 39.000 -0.434 0.000 1.577 128 F HN -0.246 nan 8.300 nan 0.000 0.591 129 S N 0.345 116.091 115.700 0.076 0.000 2.618 129 S HA 0.472 4.938 4.470 -0.006 0.000 0.277 129 S C 0.656 175.334 174.600 0.129 0.000 1.138 129 S CA -0.743 57.515 58.200 0.096 0.000 0.844 129 S CB 1.785 65.018 63.200 0.055 0.000 1.127 129 S HN 0.378 nan 8.310 nan 0.000 0.474 130 I N -0.791 119.833 120.570 0.089 0.000 3.928 130 I HA 0.434 4.601 4.170 -0.006 0.000 0.335 130 I C 0.188 176.318 176.117 0.021 0.000 1.325 130 I CA -0.285 61.058 61.300 0.073 0.000 1.107 130 I CB -0.243 37.782 38.000 0.041 0.000 1.014 130 I HN 0.521 nan 8.210 nan 0.000 0.400 131 R N 0.143 120.614 120.500 -0.049 0.000 2.712 131 R HA 0.451 4.788 4.340 -0.006 0.000 0.272 131 R C -0.815 175.265 176.300 -0.367 0.000 1.032 131 R CA -0.546 55.438 56.100 -0.194 0.000 0.874 131 R CB 0.314 30.578 30.300 -0.060 0.000 1.256 131 R HN 0.080 nan 8.270 nan 0.000 0.468 132 T N -0.584 113.632 114.554 -0.563 0.000 2.806 132 T HA 0.636 4.983 4.350 -0.006 0.000 0.290 132 T C -0.469 174.132 174.700 -0.166 0.000 0.966 132 T CA -0.438 61.336 62.100 -0.544 0.000 1.060 132 T CB 0.461 68.924 68.868 -0.675 0.000 0.927 132 T HN 0.661 nan 8.240 nan 0.000 0.485 133 Y N -0.706 119.459 120.300 -0.224 0.000 2.677 133 Y HA 0.718 5.265 4.550 -0.006 0.000 0.334 133 Y C -0.541 175.266 175.900 -0.155 0.000 1.196 133 Y CA -1.032 56.976 58.100 -0.153 0.000 1.059 133 Y CB 0.837 39.219 38.460 -0.131 0.000 1.315 133 Y HN 0.959 nan 8.280 nan 0.000 0.455 134 T N -2.549 111.999 114.554 -0.009 0.000 2.742 134 T HA 0.416 4.763 4.350 -0.006 0.000 0.282 134 T C -0.482 174.260 174.700 0.070 0.000 1.025 134 T CA -0.665 61.379 62.100 -0.094 0.000 1.020 134 T CB 1.011 69.870 68.868 -0.016 0.000 1.317 134 T HN 0.770 nan 8.240 nan 0.000 0.538 135 Y N -0.010 120.425 120.300 0.226 0.000 2.546 135 Y HA 0.486 5.033 4.550 -0.006 0.000 0.287 135 Y C 1.599 177.414 175.900 -0.143 0.000 1.158 135 Y CA -0.077 57.904 58.100 -0.198 0.000 1.307 135 Y CB 0.381 38.288 38.460 -0.923 0.000 1.036 135 Y HN 0.787 nan 8.280 nan 0.000 0.532 136 A N -0.324 122.719 122.820 0.372 0.000 3.266 136 A HA 0.264 4.580 4.320 -0.006 0.000 0.310 136 A C -0.221 177.663 177.584 0.499 0.000 1.066 136 A CA -0.480 51.827 52.037 0.451 0.000 0.839 136 A CB -0.113 19.296 19.000 0.681 0.000 1.192 136 A HN 0.117 nan 8.150 nan 0.000 0.496 137 D N 0.426 121.032 120.400 0.343 0.000 2.289 137 D HA -0.009 4.627 4.640 -0.006 0.000 0.207 137 D C 0.463 176.938 176.300 0.293 0.000 0.966 137 D CA 1.060 55.262 54.000 0.336 0.000 0.868 137 D CB 0.202 41.113 40.800 0.185 0.000 0.943 137 D HN 0.442 nan 8.370 nan 0.000 0.514 138 T N 4.144 118.801 114.554 0.172 0.000 2.738 138 T HA 0.074 4.421 4.350 -0.006 0.000 0.277 138 T C -2.331 172.169 174.700 -0.334 0.000 0.981 138 T CA -0.850 61.240 62.100 -0.018 0.000 1.211 138 T CB 0.788 69.652 68.868 -0.007 0.000 0.932 138 T HN 0.013 nan 8.240 nan 0.000 0.522 139 P HA 0.111 nan 4.420 nan 0.000 0.270 139 P C 0.074 176.553 177.300 -1.369 0.000 1.223 139 P CA -0.190 62.143 63.100 -1.278 0.000 0.785 139 P CB 0.319 31.713 31.700 -0.510 0.000 0.923 140 D N -0.819 118.441 120.400 -1.900 0.000 2.686 140 D HA -0.214 4.423 4.640 -0.006 0.000 0.235 140 D C -0.313 175.442 176.300 -0.907 0.000 1.160 140 D CA 1.096 54.416 54.000 -1.134 0.000 0.645 140 D CB -1.637 39.023 40.800 -0.234 0.000 1.039 140 D HN 0.447 nan 8.370 nan 0.000 0.423 141 D N -0.738 118.856 120.400 -1.343 0.000 2.514 141 D HA 0.221 4.858 4.640 -0.006 0.000 0.267 141 D C 0.615 176.938 176.300 0.038 0.000 1.165 141 D CA -0.687 53.104 54.000 -0.348 0.000 0.958 141 D CB -0.432 40.296 40.800 -0.121 0.000 0.992 141 D HN 0.026 nan 8.370 nan 0.000 0.506 142 F N 0.433 120.514 119.950 0.218 0.000 2.456 142 F HA 0.005 4.528 4.527 -0.006 0.000 0.298 142 F C 2.195 178.117 175.800 0.202 0.000 1.104 142 F CA 0.461 58.637 58.000 0.293 0.000 1.435 142 F CB 0.305 39.400 39.000 0.158 0.000 1.078 142 F HN 0.273 nan 8.300 nan 0.000 0.546 143 Q N 0.143 120.097 119.800 0.257 0.000 2.360 143 Q HA 0.178 4.515 4.340 -0.006 0.000 0.202 143 Q C 0.815 176.758 176.000 -0.095 0.000 0.915 143 Q CA 0.139 55.962 55.803 0.033 0.000 0.943 143 Q CB 0.077 28.762 28.738 -0.087 0.000 1.064 143 Q HN 0.464 nan 8.270 nan 0.000 0.511 144 L N 0.887 122.181 121.223 0.118 0.000 3.677 144 L HA -0.303 4.034 4.340 -0.006 0.000 0.464 144 L C 0.598 177.539 176.870 0.119 0.000 1.278 144 L CA 0.075 55.044 54.840 0.215 0.000 0.806 144 L CB -1.954 40.264 42.059 0.264 0.000 1.610 144 L HN 0.366 nan 8.230 nan 0.000 0.867 145 H N -0.658 118.531 119.070 0.198 0.000 2.428 145 H HA 0.011 4.563 4.556 -0.006 0.000 0.296 145 H C 1.722 177.152 175.328 0.169 0.000 1.062 145 H CA 1.556 57.696 56.048 0.155 0.000 1.350 145 H CB 0.178 30.004 29.762 0.107 0.000 1.403 145 H HN 0.473 nan 8.280 nan 0.000 0.533 146 N N 0.560 119.437 118.700 0.295 0.000 2.314 146 N HA -0.041 4.695 4.740 -0.006 0.000 0.200 146 N C -0.446 175.218 175.510 0.257 0.000 1.135 146 N CA -0.041 53.146 53.050 0.228 0.000 0.835 146 N CB -0.087 38.500 38.487 0.166 0.000 0.989 146 N HN 0.202 nan 8.380 nan 0.000 0.478 147 F N 2.859 122.911 119.950 0.171 0.000 2.571 147 F HA 0.056 4.579 4.527 -0.006 0.000 0.384 147 F C 0.608 176.473 175.800 0.108 0.000 1.058 147 F CA -0.253 57.841 58.000 0.156 0.000 1.200 147 F CB 0.363 39.421 39.000 0.096 0.000 1.077 147 F HN -0.068 nan 8.300 nan 0.000 0.558 148 S N 5.963 121.491 115.700 -0.288 0.000 2.579 148 S HA 0.615 5.081 4.470 -0.006 0.000 0.272 148 S C -1.236 173.211 174.600 -0.254 0.000 1.141 148 S CA -1.235 56.870 58.200 -0.158 0.000 0.843 148 S CB 1.377 64.577 63.200 0.001 0.000 1.122 148 S HN 0.643 nan 8.310 nan 0.000 0.468 149 L N 2.581 123.726 121.223 -0.130 0.000 2.290 149 L HA 0.479 4.816 4.340 -0.006 0.000 0.284 149 L C -1.717 175.153 176.870 -0.000 0.000 1.078 149 L CA -1.694 53.110 54.840 -0.059 0.000 0.815 149 L CB 0.704 42.704 42.059 -0.098 0.000 1.162 149 L HN 0.601 nan 8.230 nan 0.000 0.435 150 P HA 0.125 nan 4.420 nan 0.000 0.289 150 P C 0.276 177.523 177.300 -0.088 0.000 1.299 150 P CA -0.448 62.606 63.100 -0.078 0.000 0.766 150 P CB 1.038 32.592 31.700 -0.245 0.000 1.226 151 E N -0.449 119.677 120.200 -0.123 0.000 2.110 151 E HA -0.211 4.136 4.350 -0.006 0.000 0.193 151 E C 1.791 178.341 176.600 -0.084 0.000 0.988 151 E CA 1.303 57.645 56.400 -0.097 0.000 0.804 151 E CB -0.106 29.537 29.700 -0.095 0.000 0.745 151 E HN 0.451 nan 8.360 nan 0.000 0.458 152 E N 0.707 120.843 120.200 -0.107 0.000 2.086 152 E HA -0.228 4.118 4.350 -0.006 0.000 0.200 152 E C 1.498 178.119 176.600 0.036 0.000 1.012 152 E CA 1.995 58.379 56.400 -0.028 0.000 0.812 152 E CB -0.044 29.654 29.700 -0.004 0.000 0.743 152 E HN 0.315 nan 8.360 nan 0.000 0.453 153 D N -1.164 119.274 120.400 0.063 0.000 2.085 153 D HA -0.114 4.523 4.640 -0.006 0.000 0.199 153 D C 2.060 178.262 176.300 -0.163 0.000 0.981 153 D CA 2.022 56.039 54.000 0.028 0.000 0.834 153 D CB -0.333 40.525 40.800 0.097 0.000 0.992 153 D HN 0.288 nan 8.370 nan 0.000 0.457 154 T N -1.856 112.583 114.554 -0.192 0.000 3.023 154 T HA -0.013 4.333 4.350 -0.006 0.000 0.266 154 T C 1.634 176.248 174.700 -0.144 0.000 1.093 154 T CA 0.743 62.683 62.100 -0.267 0.000 1.129 154 T CB 0.119 68.885 68.868 -0.169 0.000 0.899 154 T HN -0.024 nan 8.240 nan 0.000 0.491 155 K N -0.141 120.203 120.400 -0.092 0.000 2.350 155 K HA 0.337 4.653 4.320 -0.006 0.000 0.196 155 K C 1.800 178.373 176.600 -0.045 0.000 1.084 155 K CA 0.086 56.340 56.287 -0.056 0.000 0.967 155 K CB 0.262 32.735 32.500 -0.046 0.000 0.950 155 K HN 0.344 nan 8.250 nan 0.000 0.512 156 L N -0.128 121.070 121.223 -0.042 0.000 2.488 156 L HA 0.128 4.464 4.340 -0.006 0.000 0.186 156 L C 2.150 179.010 176.870 -0.017 0.000 1.124 156 L CA 0.333 55.159 54.840 -0.022 0.000 0.838 156 L CB -0.376 41.678 42.059 -0.009 0.000 1.107 156 L HN -0.113 nan 8.230 nan 0.000 0.494 157 K N 0.661 121.062 120.400 0.002 0.000 2.007 157 K HA -0.025 4.292 4.320 -0.006 0.000 0.206 157 K C 2.065 178.649 176.600 -0.026 0.000 1.047 157 K CA 1.291 57.598 56.287 0.033 0.000 0.937 157 K CB -0.065 32.518 32.500 0.138 0.000 0.718 157 K HN 0.134 nan 8.250 nan 0.000 0.438 158 I N 1.013 121.514 120.570 -0.114 0.000 2.113 158 I HA -0.205 3.962 4.170 -0.006 0.000 0.238 158 I C -0.990 175.022 176.117 -0.174 0.000 1.070 158 I CA 1.232 62.382 61.300 -0.250 0.000 1.332 158 I CB -0.953 36.768 38.000 -0.466 0.000 1.044 158 I HN 0.071 nan 8.210 nan 0.000 0.402 159 P HA -0.153 nan 4.420 nan 0.000 0.218 159 P C 1.911 179.215 177.300 0.007 0.000 1.148 159 P CA 1.442 64.566 63.100 0.040 0.000 0.822 159 P CB 0.017 31.728 31.700 0.019 0.000 0.784 160 L N -0.862 120.342 121.223 -0.033 0.000 2.093 160 L HA -0.110 4.226 4.340 -0.006 0.000 0.208 160 L C 2.446 179.259 176.870 -0.096 0.000 1.085 160 L CA 1.087 55.901 54.840 -0.043 0.000 0.755 160 L CB -0.710 41.333 42.059 -0.026 0.000 0.904 160 L HN -0.013 nan 8.230 nan 0.000 0.435 161 I N -1.508 118.985 120.570 -0.128 0.000 2.252 161 I HA -0.294 3.872 4.170 -0.006 0.000 0.245 161 I C 2.566 178.558 176.117 -0.207 0.000 1.102 161 I CA 1.437 62.617 61.300 -0.199 0.000 1.385 161 I CB -0.408 37.494 38.000 -0.164 0.000 1.064 161 I HN 0.317 nan 8.210 nan 0.000 0.414 162 H N 1.825 120.836 119.070 -0.099 0.000 2.319 162 H HA -0.175 4.378 4.556 -0.006 0.000 0.297 162 H C 2.426 177.693 175.328 -0.103 0.000 1.097 162 H CA 2.069 58.064 56.048 -0.089 0.000 1.285 162 H CB -0.434 29.292 29.762 -0.061 0.000 1.368 162 H HN 0.451 nan 8.280 nan 0.000 0.495 163 R N 0.240 120.759 120.500 0.030 0.000 2.096 163 R HA -0.054 4.283 4.340 -0.006 0.000 0.235 163 R C 2.578 178.819 176.300 -0.097 0.000 1.127 163 R CA 1.026 57.112 56.100 -0.023 0.000 0.968 163 R CB -0.197 30.093 30.300 -0.017 0.000 0.861 163 R HN 0.248 nan 8.270 nan 0.000 0.440 164 A N 1.252 123.930 122.820 -0.236 0.000 1.898 164 A HA -0.101 4.215 4.320 -0.006 0.000 0.216 164 A C 2.149 179.503 177.584 -0.384 0.000 1.181 164 A CA 1.080 52.796 52.037 -0.535 0.000 0.620 164 A CB -0.461 17.847 19.000 -1.152 0.000 0.819 164 A HN 0.152 nan 8.150 nan 0.000 0.442 165 L N -1.069 120.008 121.223 -0.243 0.000 2.056 165 L HA -0.220 4.117 4.340 -0.006 0.000 0.207 165 L C 2.816 179.665 176.870 -0.035 0.000 1.078 165 L CA 1.494 56.269 54.840 -0.108 0.000 0.749 165 L CB -0.949 41.075 42.059 -0.059 0.000 0.901 165 L HN 0.499 nan 8.230 nan 0.000 0.433 166 Q N 0.204 119.990 119.800 -0.024 0.000 2.096 166 Q HA -0.203 4.133 4.340 -0.006 0.000 0.204 166 Q C 2.320 178.329 176.000 0.014 0.000 0.982 166 Q CA 1.447 57.250 55.803 -0.001 0.000 0.850 166 Q CB -0.105 28.632 28.738 -0.001 0.000 0.901 166 Q HN 0.519 nan 8.270 nan 0.000 0.422 167 L N -0.056 121.177 121.223 0.016 0.000 2.341 167 L HA 0.082 4.418 4.340 -0.006 0.000 0.214 167 L C 0.857 177.785 176.870 0.097 0.000 1.115 167 L CA -0.421 54.456 54.840 0.061 0.000 0.820 167 L CB -0.127 41.985 42.059 0.088 0.000 0.944 167 L HN 0.020 nan 8.230 nan 0.000 0.452 168 A N 0.034 122.908 122.820 0.090 0.000 2.520 168 A HA -0.049 4.268 4.320 -0.006 0.000 0.245 168 A C 1.286 178.934 177.584 0.107 0.000 1.072 168 A CA 0.002 52.127 52.037 0.146 0.000 0.761 168 A CB 0.445 19.523 19.000 0.130 0.000 1.004 168 A HN 0.379 nan 8.150 nan 0.000 0.499 169 Q N 1.550 121.419 119.800 0.115 0.000 2.030 169 Q HA -0.162 4.174 4.340 -0.006 0.000 0.204 169 Q C 0.415 176.453 176.000 0.063 0.000 0.986 169 Q CA 1.573 57.422 55.803 0.077 0.000 0.843 169 Q CB 0.068 28.840 28.738 0.056 0.000 0.904 169 Q HN 0.802 nan 8.270 nan 0.000 0.420 170 R N 0.148 120.690 120.500 0.071 0.000 2.892 170 R HA 0.433 4.769 4.340 -0.006 0.000 0.265 170 R C -2.511 173.819 176.300 0.049 0.000 1.025 170 R CA -2.127 54.002 56.100 0.049 0.000 0.982 170 R CB 1.009 31.334 30.300 0.041 0.000 1.185 170 R HN 0.122 nan 8.270 nan 0.000 0.484 171 P HA -0.004 nan 4.420 nan 0.000 0.265 171 P C -0.701 176.607 177.300 0.014 0.000 1.193 171 P CA 0.038 63.146 63.100 0.013 0.000 0.765 171 P CB 0.529 32.226 31.700 -0.005 0.000 0.823 172 V N 2.975 122.900 119.914 0.018 0.000 2.472 172 V HA 0.276 4.393 4.120 -0.006 0.000 0.290 172 V C 0.526 176.611 176.094 -0.015 0.000 1.037 172 V CA -0.241 62.079 62.300 0.033 0.000 0.908 172 V CB 1.640 33.499 31.823 0.060 0.000 0.985 172 V HN 0.513 nan 8.190 nan 0.000 0.454 173 S N 5.060 120.740 115.700 -0.033 0.000 2.451 173 S HA 0.645 5.112 4.470 -0.006 0.000 0.301 173 S C -0.431 174.220 174.600 0.085 0.000 1.116 173 S CA -0.515 57.671 58.200 -0.024 0.000 1.093 173 S CB 0.942 63.986 63.200 -0.259 0.000 1.017 173 S HN 0.489 nan 8.310 nan 0.000 0.482 174 L N 3.527 124.783 121.223 0.056 0.000 2.312 174 L HA 0.550 4.887 4.340 -0.006 0.000 0.281 174 L C -0.626 176.469 176.870 0.375 0.000 1.070 174 L CA -0.761 54.063 54.840 -0.027 0.000 0.805 174 L CB 0.763 42.369 42.059 -0.754 0.000 1.174 174 L HN 0.403 nan 8.230 nan 0.000 0.434 175 L N 3.440 124.963 121.223 0.500 0.000 2.385 175 L HA 0.800 5.136 4.340 -0.006 0.000 0.273 175 L C -0.475 176.687 176.870 0.487 0.000 0.990 175 L CA -0.205 54.929 54.840 0.490 0.000 0.821 175 L CB 1.635 43.925 42.059 0.385 0.000 1.279 175 L HN 0.647 nan 8.230 nan 0.000 0.412 176 A N 3.131 126.070 122.820 0.197 0.000 2.337 176 A HA 0.915 5.232 4.320 -0.006 0.000 0.329 176 A C -0.795 176.729 177.584 -0.100 0.000 1.146 176 A CA -0.428 51.546 52.037 -0.104 0.000 0.800 176 A CB 1.092 19.663 19.000 -0.715 0.000 1.220 176 A HN 0.708 nan 8.150 nan 0.000 0.472 177 S N 2.942 118.624 115.700 -0.031 0.000 2.614 177 S HA 0.682 5.148 4.470 -0.006 0.000 0.275 177 S C -3.093 171.559 174.600 0.087 0.000 1.161 177 S CA -0.876 57.321 58.200 -0.004 0.000 0.969 177 S CB 2.133 65.341 63.200 0.014 0.000 1.059 177 S HN 0.622 nan 8.310 nan 0.000 0.482 178 P HA 0.331 nan 4.420 nan 0.000 0.290 178 P C 0.092 177.541 177.300 0.249 0.000 1.275 178 P CA -0.699 62.508 63.100 0.178 0.000 0.841 178 P CB 1.066 32.830 31.700 0.106 0.000 1.042 179 W N 0.412 121.749 121.300 0.061 0.000 2.580 179 W HA 0.058 4.715 4.660 -0.006 0.000 0.287 179 W C 0.643 177.182 176.519 0.032 0.000 1.175 179 W CA 0.676 58.069 57.345 0.081 0.000 1.409 179 W CB 0.401 29.928 29.460 0.113 0.000 1.101 179 W HN 0.247 nan 8.180 nan 0.000 0.558 180 T N -0.065 114.600 114.554 0.185 0.000 2.903 180 T HA 0.314 4.660 4.350 -0.006 0.000 0.299 180 T C -0.202 174.295 174.700 -0.339 0.000 1.093 180 T CA -0.441 61.604 62.100 -0.092 0.000 1.002 180 T CB 1.522 70.344 68.868 -0.076 0.000 1.127 180 T HN -0.080 nan 8.240 nan 0.000 0.488 181 S N 3.497 118.700 115.700 -0.828 0.000 2.669 181 S HA 0.643 5.110 4.470 -0.006 0.000 0.270 181 S C -2.731 171.447 174.600 -0.702 0.000 1.225 181 S CA -1.245 56.198 58.200 -1.261 0.000 0.991 181 S CB 0.257 62.363 63.200 -1.823 0.000 0.987 181 S HN 0.541 nan 8.310 nan 0.000 0.552 182 P HA 0.001 nan 4.420 nan 0.000 0.261 182 P C 1.127 178.041 177.300 -0.643 0.000 1.165 182 P CA 0.437 63.162 63.100 -0.624 0.000 0.759 182 P CB 0.184 31.238 31.700 -1.077 0.000 0.772 183 T N -0.346 114.024 114.554 -0.306 0.000 3.051 183 T HA -0.107 4.239 4.350 -0.006 0.000 0.269 183 T C 1.143 175.793 174.700 -0.083 0.000 1.127 183 T CA 0.363 62.355 62.100 -0.181 0.000 1.107 183 T CB -0.637 68.199 68.868 -0.053 0.000 0.898 183 T HN 0.565 nan 8.240 nan 0.000 0.517 184 W N 0.936 122.193 121.300 -0.073 0.000 3.077 184 W HA 0.360 5.016 4.660 -0.007 0.000 0.245 184 W C 0.434 176.976 176.519 0.037 0.000 1.316 184 W CA -0.534 56.798 57.345 -0.022 0.000 1.537 184 W CB -0.833 28.604 29.460 -0.040 0.000 1.131 184 W HN 0.280 nan 8.180 nan 0.000 0.695 185 L N 0.808 121.873 121.223 -0.265 0.000 2.693 185 L HA 0.255 4.592 4.340 -0.006 0.000 0.235 185 L C 0.460 177.178 176.870 -0.253 0.000 1.127 185 L CA 0.338 55.073 54.840 -0.176 0.000 0.914 185 L CB -0.140 41.636 42.059 -0.472 0.000 1.193 185 L HN -0.287 nan 8.230 nan 0.000 0.502 186 K N -0.265 119.998 120.400 -0.229 0.000 2.221 186 K HA 0.250 4.567 4.320 -0.006 0.000 0.258 186 K C 1.196 177.686 176.600 -0.182 0.000 0.944 186 K CA -0.089 56.042 56.287 -0.260 0.000 0.823 186 K CB 1.947 34.289 32.500 -0.264 0.000 1.113 186 K HN -0.054 nan 8.250 nan 0.000 0.431 187 T N -1.222 113.212 114.554 -0.200 0.000 2.778 187 T HA -0.208 4.139 4.350 -0.006 0.000 0.269 187 T C 1.183 175.824 174.700 -0.099 0.000 1.050 187 T CA 1.812 63.823 62.100 -0.148 0.000 1.137 187 T CB -0.264 68.519 68.868 -0.142 0.000 0.860 187 T HN 0.685 nan 8.240 nan 0.000 0.468 188 N N 1.030 119.671 118.700 -0.098 0.000 2.236 188 N HA 0.201 4.937 4.740 -0.006 0.000 0.196 188 N C 1.577 177.062 175.510 -0.042 0.000 1.114 188 N CA 0.555 53.568 53.050 -0.063 0.000 0.859 188 N CB -0.538 37.912 38.487 -0.062 0.000 0.982 188 N HN 0.619 nan 8.380 nan 0.000 0.493 189 G N -0.372 108.401 108.800 -0.046 0.000 2.244 189 G HA2 -0.171 3.786 3.960 -0.006 0.000 0.274 189 G HA3 -0.171 3.786 3.960 -0.006 0.000 0.274 189 G C 0.144 175.036 174.900 -0.013 0.000 1.002 189 G CA 0.743 45.834 45.100 -0.014 0.000 0.740 189 G HN 0.905 nan 8.290 nan 0.000 0.516 190 A N -1.336 121.464 122.820 -0.034 0.000 2.413 190 A HA 0.851 5.167 4.320 -0.006 0.000 0.307 190 A C 1.371 178.937 177.584 -0.029 0.000 1.087 190 A CA 0.290 52.318 52.037 -0.015 0.000 0.750 190 A CB 1.500 20.503 19.000 0.005 0.000 1.296 190 A HN 1.407 nan 8.150 nan 0.000 0.423 191 V N -0.395 119.518 119.914 -0.003 0.000 2.515 191 V HA -0.038 4.078 4.120 -0.006 0.000 0.250 191 V C 0.794 176.933 176.094 0.075 0.000 1.058 191 V CA 1.909 64.211 62.300 0.004 0.000 1.064 191 V CB -1.525 30.300 31.823 0.002 0.000 0.675 191 V HN 0.938 nan 8.190 nan 0.000 0.461 192 N N 0.466 119.235 118.700 0.116 0.000 3.255 192 N HA 0.588 5.325 4.740 -0.006 0.000 0.359 192 N C 0.536 176.094 175.510 0.080 0.000 1.463 192 N CA 0.205 53.343 53.050 0.148 0.000 0.695 192 N CB 0.330 38.935 38.487 0.198 0.000 1.581 192 N HN 0.984 nan 8.380 nan 0.000 0.622 193 G N -0.243 108.609 108.800 0.086 0.000 2.916 193 G HA2 -0.263 3.694 3.960 -0.006 0.000 0.533 193 G HA3 -0.263 3.694 3.960 -0.006 0.000 0.533 193 G C -0.580 174.330 174.900 0.017 0.000 1.516 193 G CA 0.010 45.139 45.100 0.048 0.000 0.944 193 G HN 0.916 nan 8.290 nan 0.000 0.555 194 K N 0.719 121.116 120.400 -0.005 0.000 2.320 194 K HA 0.417 4.733 4.320 -0.006 0.000 0.273 194 K C 0.741 177.301 176.600 -0.066 0.000 1.146 194 K CA 0.976 57.238 56.287 -0.042 0.000 1.144 194 K CB -0.809 31.669 32.500 -0.036 0.000 0.878 194 K HN 1.485 nan 8.250 nan 0.000 0.458 195 G N 1.962 110.701 108.800 -0.103 0.000 2.755 195 G HA2 0.362 4.318 3.960 -0.006 0.000 0.297 195 G HA3 0.362 4.318 3.960 -0.006 0.000 0.297 195 G C -1.249 173.519 174.900 -0.221 0.000 1.441 195 G CA -0.621 44.393 45.100 -0.143 0.000 0.964 195 G HN 0.574 nan 8.290 nan 0.000 0.540 196 S N 0.707 116.249 115.700 -0.263 0.000 2.823 196 S HA 0.794 5.260 4.470 -0.006 0.000 0.316 196 S C -0.016 174.312 174.600 -0.452 0.000 1.116 196 S CA -0.960 56.996 58.200 -0.408 0.000 0.911 196 S CB 0.953 63.970 63.200 -0.305 0.000 1.276 196 S HN 0.629 nan 8.310 nan 0.000 0.565 197 L N 1.110 121.981 121.223 -0.586 0.000 2.452 197 L HA 0.341 4.678 4.340 -0.006 0.000 0.267 197 L C 0.536 177.217 176.870 -0.315 0.000 1.188 197 L CA -0.372 54.139 54.840 -0.547 0.000 0.821 197 L CB 0.410 41.973 42.059 -0.827 0.000 1.102 197 L HN 0.647 nan 8.230 nan 0.000 0.470 198 K N 1.174 121.343 120.400 -0.385 0.000 2.270 198 K HA 0.399 4.715 4.320 -0.006 0.000 0.276 198 K C 0.541 176.931 176.600 -0.350 0.000 1.023 198 K CA 0.593 56.581 56.287 -0.498 0.000 0.955 198 K CB 0.966 32.879 32.500 -0.979 0.000 0.975 198 K HN 0.817 nan 8.250 nan 0.000 0.471 199 G N 1.852 110.521 108.800 -0.219 0.000 2.498 199 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.251 199 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.251 199 G C -0.799 174.118 174.900 0.028 0.000 1.170 199 G CA -0.427 44.644 45.100 -0.049 0.000 0.944 199 G HN 0.559 nan 8.290 nan 0.000 0.567 200 Q N 0.584 120.382 119.800 -0.003 0.000 2.359 200 Q HA 0.497 4.834 4.340 -0.006 0.000 0.274 200 Q C -2.729 172.900 176.000 -0.618 0.000 1.074 200 Q CA -1.901 53.737 55.803 -0.274 0.000 0.810 200 Q CB 3.037 31.691 28.738 -0.140 0.000 1.342 200 Q HN 0.344 nan 8.270 nan 0.000 0.427 201 P HA -0.100 nan 4.420 nan 0.000 0.261 201 P C 0.476 177.695 177.300 -0.136 0.000 1.173 201 P CA 1.653 64.464 63.100 -0.481 0.000 0.760 201 P CB 0.409 32.045 31.700 -0.107 0.000 0.783 202 G N 2.159 110.984 108.800 0.041 0.000 2.308 202 G HA2 -0.216 3.740 3.960 -0.006 0.000 0.221 202 G HA3 -0.216 3.740 3.960 -0.006 0.000 0.221 202 G C 0.252 175.217 174.900 0.109 0.000 1.032 202 G CA 0.303 45.444 45.100 0.069 0.000 0.623 202 G HN 0.691 nan 8.290 nan 0.000 0.506 203 D N 0.457 120.939 120.400 0.136 0.000 2.314 203 D HA 0.389 5.025 4.640 -0.006 0.000 0.252 203 D C 1.785 178.212 176.300 0.212 0.000 1.295 203 D CA 0.015 54.123 54.000 0.180 0.000 0.995 203 D CB 0.104 41.051 40.800 0.245 0.000 1.125 203 D HN 0.415 nan 8.370 nan 0.000 0.537 204 I N -1.149 119.485 120.570 0.106 0.000 2.546 204 I HA -0.174 3.993 4.170 -0.006 0.000 0.255 204 I C 1.425 177.612 176.117 0.117 0.000 1.163 204 I CA 0.747 62.042 61.300 -0.008 0.000 1.457 204 I CB -0.069 37.741 38.000 -0.316 0.000 1.092 204 I HN 0.319 nan 8.210 nan 0.000 0.434 205 Y N 0.112 120.588 120.300 0.293 0.000 2.109 205 Y HA -0.246 4.301 4.550 -0.005 0.000 0.285 205 Y C 2.594 178.653 175.900 0.267 0.000 1.131 205 Y CA 2.055 60.342 58.100 0.312 0.000 1.121 205 Y CB -1.103 37.480 38.460 0.205 0.000 0.987 205 Y HN 0.170 nan 8.280 nan 0.000 0.495 206 H N -0.355 118.964 119.070 0.415 0.000 2.390 206 H HA -0.168 4.384 4.556 -0.006 0.000 0.298 206 H C 2.050 177.661 175.328 0.472 0.000 1.106 206 H CA 1.791 58.099 56.048 0.432 0.000 1.297 206 H CB -0.130 29.888 29.762 0.426 0.000 1.375 206 H HN 0.281 nan 8.280 nan 0.000 0.509 207 Q N -0.457 119.609 119.800 0.445 0.000 2.172 207 Q HA -0.052 4.285 4.340 -0.006 0.000 0.200 207 Q C 2.178 178.365 176.000 0.311 0.000 0.964 207 Q CA 1.315 57.306 55.803 0.313 0.000 0.855 207 Q CB -0.162 28.703 28.738 0.212 0.000 0.918 207 Q HN 0.479 nan 8.270 nan 0.000 0.444 208 T N 0.365 115.136 114.554 0.361 0.000 2.812 208 T HA -0.117 4.229 4.350 -0.006 0.000 0.264 208 T C 1.219 176.180 174.700 0.434 0.000 1.042 208 T CA 0.579 62.901 62.100 0.371 0.000 1.140 208 T CB -0.316 68.807 68.868 0.424 0.000 0.870 208 T HN 0.492 nan 8.240 nan 0.000 0.445 209 W N 1.690 123.102 121.300 0.186 0.000 2.338 209 W HA -0.205 4.452 4.660 -0.005 0.000 0.304 209 W C 2.462 179.256 176.519 0.459 0.000 1.212 209 W CA 0.969 58.420 57.345 0.177 0.000 1.264 209 W CB -0.147 29.311 29.460 -0.003 0.000 1.142 209 W HN 0.277 nan 8.180 nan 0.000 0.512 210 A N 0.584 123.661 122.820 0.429 0.000 1.930 210 A HA -0.200 4.116 4.320 -0.006 0.000 0.217 210 A C 1.995 179.673 177.584 0.158 0.000 1.175 210 A CA 1.543 53.692 52.037 0.186 0.000 0.627 210 A CB -1.019 18.011 19.000 0.051 0.000 0.815 210 A HN 0.368 nan 8.150 nan 0.000 0.443 211 R N -1.868 118.743 120.500 0.185 0.000 2.105 211 R HA -0.214 4.123 4.340 -0.006 0.000 0.239 211 R C 1.980 178.338 176.300 0.096 0.000 1.135 211 R CA 1.911 58.083 56.100 0.120 0.000 0.967 211 R CB -0.468 29.911 30.300 0.132 0.000 0.861 211 R HN 0.674 nan 8.270 nan 0.000 0.442 212 Y N 0.126 120.449 120.300 0.038 0.000 2.165 212 Y HA -0.286 4.261 4.550 -0.005 0.000 0.286 212 Y C 1.756 177.575 175.900 -0.136 0.000 1.155 212 Y CA 1.974 60.056 58.100 -0.030 0.000 1.164 212 Y CB -0.380 38.164 38.460 0.141 0.000 0.978 212 Y HN 0.001 nan 8.280 nan 0.000 0.513 213 F N -0.881 119.025 119.950 -0.073 0.000 2.126 213 F HA -0.286 4.237 4.527 -0.006 0.000 0.299 213 F C 2.336 178.065 175.800 -0.118 0.000 1.096 213 F CA 1.835 59.745 58.000 -0.150 0.000 1.255 213 F CB -0.892 37.962 39.000 -0.244 0.000 0.997 213 F HN -0.113 nan 8.300 nan 0.000 0.479 214 V N -0.438 119.514 119.914 0.063 0.000 2.427 214 V HA -0.222 3.894 4.120 -0.006 0.000 0.248 214 V C 2.394 178.413 176.094 -0.125 0.000 1.051 214 V CA 1.410 63.720 62.300 0.016 0.000 1.048 214 V CB -0.497 31.348 31.823 0.037 0.000 0.666 214 V HN 0.187 nan 8.190 nan 0.000 0.456 215 K N -0.312 119.875 120.400 -0.356 0.000 2.057 215 K HA -0.136 4.180 4.320 -0.006 0.000 0.207 215 K C 2.049 178.217 176.600 -0.719 0.000 1.049 215 K CA 1.521 57.348 56.287 -0.767 0.000 0.931 215 K CB -0.656 30.928 32.500 -1.526 0.000 0.714 215 K HN 0.502 nan 8.250 nan 0.000 0.440 216 F N 2.126 121.678 119.950 -0.663 0.000 2.046 216 F HA -0.205 4.319 4.527 -0.005 0.000 0.297 216 F C 2.030 177.712 175.800 -0.196 0.000 1.123 216 F CA 1.427 59.268 58.000 -0.266 0.000 1.199 216 F CB -0.492 38.327 39.000 -0.303 0.000 0.972 216 F HN -0.123 nan 8.300 nan 0.000 0.474 217 L N 0.125 121.149 121.223 -0.331 0.000 2.042 217 L HA -0.266 4.070 4.340 -0.006 0.000 0.210 217 L C 2.245 178.869 176.870 -0.411 0.000 1.076 217 L CA 1.579 56.113 54.840 -0.509 0.000 0.749 217 L CB -0.997 40.666 42.059 -0.659 0.000 0.893 217 L HN 0.173 nan 8.230 nan 0.000 0.432 218 D N 0.167 120.467 120.400 -0.166 0.000 2.123 218 D HA -0.169 4.467 4.640 -0.006 0.000 0.196 218 D C 2.213 178.514 176.300 0.002 0.000 0.992 218 D CA 1.603 55.633 54.000 0.050 0.000 0.833 218 D CB -0.011 40.811 40.800 0.036 0.000 0.954 218 D HN 0.354 nan 8.370 nan 0.000 0.455 219 A N 0.146 122.945 122.820 -0.035 0.000 1.855 219 A HA -0.188 4.128 4.320 -0.006 0.000 0.215 219 A C 2.091 179.715 177.584 0.066 0.000 1.191 219 A CA 1.010 53.072 52.037 0.042 0.000 0.613 219 A CB -1.097 17.964 19.000 0.103 0.000 0.829 219 A HN 0.185 nan 8.150 nan 0.000 0.442 220 Y N 0.155 120.323 120.300 -0.220 0.000 2.256 220 Y HA -0.149 4.398 4.550 -0.006 0.000 0.288 220 Y C 2.879 178.776 175.900 -0.005 0.000 1.155 220 Y CA 0.830 58.859 58.100 -0.118 0.000 1.203 220 Y CB -0.540 37.803 38.460 -0.194 0.000 0.980 220 Y HN 0.343 nan 8.280 nan 0.000 0.530 221 A N -0.077 122.802 122.820 0.097 0.000 1.898 221 A HA -0.205 4.111 4.320 -0.006 0.000 0.216 221 A C 2.055 179.670 177.584 0.051 0.000 1.181 221 A CA 1.709 53.801 52.037 0.092 0.000 0.620 221 A CB -0.629 18.456 19.000 0.142 0.000 0.819 221 A HN 0.496 nan 8.150 nan 0.000 0.442 222 E N -0.724 119.481 120.200 0.008 0.000 2.171 222 E HA -0.191 4.155 4.350 -0.006 0.000 0.197 222 E C 1.150 177.635 176.600 -0.192 0.000 0.997 222 E CA 1.217 57.558 56.400 -0.098 0.000 0.810 222 E CB -0.200 29.415 29.700 -0.143 0.000 0.738 222 E HN 0.696 nan 8.360 nan 0.000 0.467 223 H N 0.228 119.271 119.070 -0.044 0.000 2.538 223 H HA 0.147 4.699 4.556 -0.006 0.000 0.286 223 H C -0.119 175.262 175.328 0.089 0.000 1.035 223 H CA 0.318 56.353 56.048 -0.021 0.000 1.169 223 H CB 0.204 29.870 29.762 -0.161 0.000 1.417 223 H HN 0.073 nan 8.280 nan 0.000 0.567 224 K N 0.524 121.000 120.400 0.126 0.000 3.096 224 K HA -0.165 4.151 4.320 -0.006 0.000 0.266 224 K C -0.665 176.035 176.600 0.166 0.000 1.043 224 K CA 0.324 56.690 56.287 0.131 0.000 0.758 224 K CB -1.621 30.935 32.500 0.094 0.000 1.260 224 K HN 0.296 nan 8.250 nan 0.000 0.481 225 L N 1.188 122.475 121.223 0.106 0.000 2.385 225 L HA 0.347 4.684 4.340 -0.006 0.000 0.273 225 L C 0.054 176.945 176.870 0.035 0.000 0.990 225 L CA -0.874 53.982 54.840 0.026 0.000 0.821 225 L CB 1.866 43.924 42.059 -0.002 0.000 1.279 225 L HN 0.043 nan 8.230 nan 0.000 0.412 226 Q N 2.511 122.284 119.800 -0.044 0.000 2.377 226 Q HA 0.543 4.879 4.340 -0.006 0.000 0.271 226 Q C -1.284 174.660 176.000 -0.094 0.000 1.077 226 Q CA -0.628 55.187 55.803 0.019 0.000 0.820 226 Q CB 3.117 31.885 28.738 0.051 0.000 1.347 226 Q HN 0.317 nan 8.270 nan 0.000 0.444 227 F N 0.337 120.295 119.950 0.013 0.000 2.422 227 F HA 0.179 4.703 4.527 -0.005 0.000 0.333 227 F C 0.996 176.847 175.800 0.085 0.000 1.095 227 F CA -0.679 57.350 58.000 0.049 0.000 1.038 227 F CB 0.884 39.888 39.000 0.006 0.000 1.156 227 F HN 0.721 nan 8.300 nan 0.000 0.483 228 W N 3.607 124.952 121.300 0.076 0.000 2.409 228 W HA 0.354 5.010 4.660 -0.005 0.000 0.299 228 W C -0.144 176.378 176.519 0.005 0.000 1.203 228 W CA 1.108 58.455 57.345 0.004 0.000 1.298 228 W CB -0.090 29.343 29.460 -0.045 0.000 1.127 228 W HN 0.447 nan 8.180 nan 0.000 0.528 229 A N -0.080 122.592 122.820 -0.247 0.000 2.610 229 A HA 0.593 4.909 4.320 -0.006 0.000 0.291 229 A C -1.310 176.128 177.584 -0.245 0.000 1.086 229 A CA -0.235 51.437 52.037 -0.609 0.000 0.677 229 A CB 0.843 18.927 19.000 -1.527 0.000 1.278 229 A HN 0.588 nan 8.150 nan 0.000 0.414 230 V N -1.409 118.347 119.914 -0.264 0.000 2.962 230 V HA 0.943 5.060 4.120 -0.006 0.000 0.313 230 V C -0.045 175.960 176.094 -0.147 0.000 1.099 230 V CA 0.066 62.273 62.300 -0.155 0.000 0.971 230 V CB 1.348 33.134 31.823 -0.062 0.000 1.028 230 V HN 1.762 nan 8.190 nan 0.000 0.430 231 T N 0.430 114.941 114.554 -0.072 0.000 2.934 231 T HA 0.715 5.062 4.350 -0.006 0.000 0.283 231 T C 1.105 175.813 174.700 0.013 0.000 1.005 231 T CA 0.009 62.067 62.100 -0.070 0.000 1.041 231 T CB 1.662 70.482 68.868 -0.079 0.000 1.042 231 T HN 1.670 nan 8.240 nan 0.000 0.505 232 A N 0.829 123.603 122.820 -0.078 0.000 2.119 232 A HA 0.352 4.669 4.320 -0.006 0.000 0.217 232 A C 0.798 178.410 177.584 0.045 0.000 1.153 232 A CA 1.158 53.133 52.037 -0.105 0.000 0.692 232 A CB -0.805 18.076 19.000 -0.197 0.000 0.799 232 A HN 1.079 nan 8.150 nan 0.000 0.458 233 E N -1.916 118.285 120.200 0.002 0.000 2.720 233 E HA 0.129 4.475 4.350 -0.006 0.000 0.298 233 E C -1.285 175.199 176.600 -0.193 0.000 1.150 233 E CA -0.343 56.063 56.400 0.009 0.000 0.921 233 E CB -0.335 29.376 29.700 0.018 0.000 1.164 233 E HN 0.178 nan 8.360 nan 0.000 0.447 234 N N 2.646 121.132 118.700 -0.357 0.000 2.497 234 N HA 0.153 4.889 4.740 -0.006 0.000 0.268 234 N C -0.769 174.429 175.510 -0.520 0.000 1.171 234 N CA 0.527 53.196 53.050 -0.635 0.000 0.948 234 N CB 0.474 38.065 38.487 -1.493 0.000 1.069 234 N HN 0.548 nan 8.380 nan 0.000 0.460 235 E N 1.867 121.751 120.200 -0.527 0.000 2.023 235 E HA -0.204 4.143 4.350 -0.006 0.000 0.164 235 E C -1.641 174.756 176.600 -0.338 0.000 1.456 235 E CA 0.011 56.133 56.400 -0.463 0.000 0.617 235 E CB -0.613 28.873 29.700 -0.357 0.000 1.042 235 E HN 0.676 nan 8.360 nan 0.000 0.301 236 P HA -0.262 nan 4.420 nan 0.000 0.218 236 P C 1.533 178.818 177.300 -0.026 0.000 1.148 236 P CA 1.865 64.953 63.100 -0.020 0.000 0.822 236 P CB 0.063 31.847 31.700 0.141 0.000 0.784 237 S N 0.127 115.740 115.700 -0.146 0.000 2.419 237 S HA -0.079 4.387 4.470 -0.006 0.000 0.233 237 S C 2.242 176.717 174.600 -0.210 0.000 1.016 237 S CA 1.062 59.212 58.200 -0.083 0.000 0.974 237 S CB -1.343 61.780 63.200 -0.128 0.000 0.786 237 S HN 0.153 nan 8.310 nan 0.000 0.492 238 A N 1.945 124.533 122.820 -0.386 0.000 1.908 238 A HA 0.177 4.494 4.320 -0.006 0.000 0.218 238 A C 2.254 179.457 177.584 -0.635 0.000 1.181 238 A CA 1.425 53.001 52.037 -0.768 0.000 0.627 238 A CB -1.634 16.644 19.000 -1.203 0.000 0.818 238 A HN 0.727 nan 8.150 nan 0.000 0.445 239 G N -0.956 107.631 108.800 -0.355 0.000 3.155 239 G HA2 0.283 4.240 3.960 -0.006 0.000 0.213 239 G HA3 0.283 4.240 3.960 -0.006 0.000 0.213 239 G C 0.856 175.671 174.900 -0.140 0.000 1.196 239 G CA 0.360 45.338 45.100 -0.203 0.000 0.846 239 G HN 0.451 nan 8.290 nan 0.000 0.516 240 L N -0.573 120.573 121.223 -0.129 0.000 2.766 240 L HA 0.415 4.751 4.340 -0.006 0.000 0.242 240 L C 0.332 177.163 176.870 -0.065 0.000 1.136 240 L CA -0.112 54.685 54.840 -0.072 0.000 0.933 240 L CB 0.319 42.363 42.059 -0.026 0.000 1.241 240 L HN 0.027 nan 8.230 nan 0.000 0.522 241 L N 1.113 122.283 121.223 -0.089 0.000 2.275 241 L HA 0.294 4.631 4.340 -0.006 0.000 0.288 241 L C 0.532 177.399 176.870 -0.005 0.000 1.046 241 L CA -0.436 54.377 54.840 -0.045 0.000 0.805 241 L CB 1.601 43.629 42.059 -0.051 0.000 1.193 241 L HN 0.135 nan 8.230 nan 0.000 0.426 242 S N 1.465 117.160 115.700 -0.008 0.000 2.516 242 S HA 0.314 4.781 4.470 -0.006 0.000 0.282 242 S C 1.160 175.759 174.600 -0.000 0.000 1.286 242 S CA -0.075 58.121 58.200 -0.008 0.000 1.066 242 S CB 0.981 64.173 63.200 -0.014 0.000 0.884 242 S HN 1.044 nan 8.310 nan 0.000 0.491 243 G N 1.291 110.091 108.800 -0.001 0.000 2.198 243 G HA2 -0.323 3.633 3.960 -0.006 0.000 0.260 243 G HA3 -0.323 3.633 3.960 -0.006 0.000 0.260 243 G C -0.168 174.711 174.900 -0.036 0.000 1.025 243 G CA 0.251 45.341 45.100 -0.017 0.000 0.769 243 G HN 1.038 nan 8.290 nan 0.000 0.507 244 Y N 1.489 121.703 120.300 -0.143 0.000 2.721 244 Y HA 0.248 4.794 4.550 -0.006 0.000 0.329 244 Y C -0.061 175.683 175.900 -0.260 0.000 1.211 244 Y CA -0.552 57.408 58.100 -0.234 0.000 1.512 244 Y CB 0.951 39.284 38.460 -0.212 0.000 1.249 244 Y HN 0.118 nan 8.280 nan 0.000 0.549 245 P HA -0.106 nan 4.420 nan 0.000 0.220 245 P C -0.381 176.685 177.300 -0.389 0.000 1.152 245 P CA 1.131 63.866 63.100 -0.608 0.000 0.812 245 P CB 0.106 31.407 31.700 -0.665 0.000 0.792 246 F N -0.459 119.290 119.950 -0.333 0.000 2.411 246 F HA 0.449 4.973 4.527 -0.005 0.000 0.324 246 F C 0.907 176.886 175.800 0.297 0.000 1.086 246 F CA -1.861 56.142 58.000 0.005 0.000 1.028 246 F CB -0.239 38.826 39.000 0.109 0.000 1.284 246 F HN -0.381 nan 8.300 nan 0.000 0.501 247 Q N 1.024 121.197 119.800 0.622 0.000 2.308 247 Q HA 0.197 4.533 4.340 -0.006 0.000 0.313 247 Q C -0.450 175.852 176.000 0.502 0.000 1.075 247 Q CA 0.213 56.297 55.803 0.468 0.000 0.995 247 Q CB 0.159 29.122 28.738 0.376 0.000 1.107 247 Q HN 0.710 nan 8.270 nan 0.000 0.380 248 C N 0.511 119.979 119.300 0.279 0.000 3.323 248 C HA 0.910 5.367 4.460 -0.006 0.000 0.324 248 C C -1.467 173.514 174.990 -0.016 0.000 1.428 248 C CA -1.240 57.864 59.018 0.143 0.000 1.368 248 C CB 0.947 28.744 27.740 0.095 0.000 1.731 248 C HN 0.754 nan 8.230 nan 0.000 0.455 249 L N 1.506 122.681 121.223 -0.079 0.000 2.596 249 L HA 0.695 5.032 4.340 -0.006 0.000 0.265 249 L C 0.113 176.884 176.870 -0.166 0.000 0.962 249 L CA 0.281 55.006 54.840 -0.192 0.000 0.891 249 L CB 1.218 43.145 42.059 -0.220 0.000 1.248 249 L HN 1.321 nan 8.230 nan 0.000 0.410 250 G N 3.360 111.993 108.800 -0.278 0.000 2.403 250 G HA2 0.518 4.474 3.960 -0.006 0.000 0.259 250 G HA3 0.518 4.474 3.960 -0.006 0.000 0.259 250 G C -1.225 173.474 174.900 -0.334 0.000 1.244 250 G CA -0.016 44.969 45.100 -0.191 0.000 0.849 250 G HN 0.392 nan 8.290 nan 0.000 0.532 251 F N 0.406 120.345 119.950 -0.019 0.000 2.588 251 F HA 0.342 4.866 4.527 -0.005 0.000 0.318 251 F C 0.811 176.709 175.800 0.164 0.000 1.155 251 F CA -0.779 57.227 58.000 0.010 0.000 0.967 251 F CB 2.320 41.323 39.000 0.004 0.000 1.236 251 F HN 0.656 nan 8.300 nan 0.000 0.455 252 T N 0.182 114.888 114.554 0.254 0.000 2.828 252 T HA 0.229 4.575 4.350 -0.006 0.000 0.290 252 T C -1.934 172.565 174.700 -0.334 0.000 1.019 252 T CA -1.645 60.488 62.100 0.056 0.000 1.031 252 T CB 1.144 70.022 68.868 0.016 0.000 1.001 252 T HN 0.283 nan 8.240 nan 0.000 0.531 253 P HA -0.115 nan 4.420 nan 0.000 0.216 253 P C 1.097 178.042 177.300 -0.591 0.000 1.150 253 P CA 1.196 63.394 63.100 -1.504 0.000 0.843 253 P CB 0.079 30.915 31.700 -1.441 0.000 0.787 254 E N -1.684 118.330 120.200 -0.309 0.000 2.106 254 E HA -0.178 4.168 4.350 -0.006 0.000 0.192 254 E C 2.180 178.797 176.600 0.028 0.000 0.984 254 E CA 0.914 57.236 56.400 -0.129 0.000 0.806 254 E CB -0.958 28.688 29.700 -0.089 0.000 0.750 254 E HN 0.496 nan 8.360 nan 0.000 0.458 255 H N -0.091 118.976 119.070 -0.006 0.000 2.357 255 H HA -0.114 4.439 4.556 -0.005 0.000 0.301 255 H C 2.243 177.759 175.328 0.315 0.000 1.082 255 H CA 1.364 57.517 56.048 0.175 0.000 1.342 255 H CB 0.308 30.200 29.762 0.216 0.000 1.389 255 H HN 0.134 nan 8.280 nan 0.000 0.511 256 Q N 0.854 120.828 119.800 0.290 0.000 2.050 256 Q HA -0.215 4.122 4.340 -0.006 0.000 0.202 256 Q C 2.571 178.614 176.000 0.072 0.000 0.980 256 Q CA 1.670 57.528 55.803 0.091 0.000 0.840 256 Q CB -0.120 28.618 28.738 0.000 0.000 0.898 256 Q HN 0.350 nan 8.270 nan 0.000 0.424 257 R N 0.017 120.510 120.500 -0.011 0.000 2.112 257 R HA -0.226 4.111 4.340 -0.006 0.000 0.242 257 R C 1.330 177.646 176.300 0.026 0.000 1.137 257 R CA 2.250 58.330 56.100 -0.034 0.000 0.944 257 R CB -0.319 29.930 30.300 -0.086 0.000 0.857 257 R HN 0.428 nan 8.270 nan 0.000 0.435 258 D N -0.430 120.031 120.400 0.103 0.000 2.162 258 D HA -0.128 4.508 4.640 -0.006 0.000 0.203 258 D C 1.627 178.041 176.300 0.190 0.000 0.967 258 D CA 0.753 54.822 54.000 0.115 0.000 0.840 258 D CB -0.417 40.438 40.800 0.092 0.000 0.972 258 D HN 0.192 nan 8.370 nan 0.000 0.482 259 F N 1.975 122.038 119.950 0.188 0.000 2.095 259 F HA -0.171 4.353 4.527 -0.006 0.000 0.298 259 F C 2.115 177.918 175.800 0.004 0.000 1.104 259 F CA 1.091 59.217 58.000 0.210 0.000 1.232 259 F CB -0.560 38.644 39.000 0.340 0.000 0.987 259 F HN -0.147 nan 8.300 nan 0.000 0.475 260 I N 0.141 120.530 120.570 -0.301 0.000 2.179 260 I HA -0.314 3.852 4.170 -0.006 0.000 0.242 260 I C 2.703 178.619 176.117 -0.334 0.000 1.088 260 I CA 1.343 62.368 61.300 -0.459 0.000 1.357 260 I CB -0.985 36.859 38.000 -0.259 0.000 1.051 260 I HN 0.240 nan 8.210 nan 0.000 0.409 261 A N 0.756 123.507 122.820 -0.115 0.000 1.877 261 A HA -0.163 4.154 4.320 -0.006 0.000 0.216 261 A C 2.373 179.926 177.584 -0.052 0.000 1.186 261 A CA 1.417 53.455 52.037 0.003 0.000 0.620 261 A CB -0.363 18.657 19.000 0.033 0.000 0.822 261 A HN 0.266 nan 8.150 nan 0.000 0.443 262 R N -0.496 119.966 120.500 -0.062 0.000 2.100 262 R HA 0.057 4.394 4.340 -0.006 0.000 0.220 262 R C 0.742 176.993 176.300 -0.083 0.000 1.091 262 R CA 1.384 57.464 56.100 -0.034 0.000 0.986 262 R CB -0.387 29.927 30.300 0.023 0.000 0.888 262 R HN 0.600 nan 8.270 nan 0.000 0.444 263 D N -0.328 119.968 120.400 -0.174 0.000 3.234 263 D HA -0.012 4.625 4.640 -0.006 0.000 0.281 263 D C 1.829 177.864 176.300 -0.442 0.000 1.405 263 D CA -0.124 53.773 54.000 -0.172 0.000 1.115 263 D CB -0.288 40.610 40.800 0.164 0.000 1.198 263 D HN -0.082 nan 8.370 nan 0.000 0.388 264 L N 2.104 122.796 121.223 -0.885 0.000 2.027 264 L HA 0.085 4.422 4.340 -0.006 0.000 0.206 264 L C 2.199 178.612 176.870 -0.762 0.000 1.074 264 L CA 2.231 56.510 54.840 -0.935 0.000 0.745 264 L CB -1.097 40.127 42.059 -1.393 0.000 0.898 264 L HN 0.115 nan 8.230 nan 0.000 0.433 265 G N -0.091 108.161 108.800 -0.912 0.000 2.628 265 G HA2 -0.261 3.695 3.960 -0.006 0.000 0.217 265 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.217 265 G C -0.607 173.516 174.900 -1.296 0.000 1.240 265 G CA 1.112 45.339 45.100 -1.454 0.000 0.792 265 G HN 0.373 nan 8.290 nan 0.000 0.593 266 P HA -0.070 nan 4.420 nan 0.000 0.215 266 P C 2.113 179.272 177.300 -0.235 0.000 1.157 266 P CA 2.167 65.038 63.100 -0.382 0.000 0.874 266 P CB -0.409 31.164 31.700 -0.212 0.000 0.790 267 T N -0.053 114.350 114.554 -0.252 0.000 2.684 267 T HA -0.139 4.207 4.350 -0.006 0.000 0.267 267 T C 1.845 176.469 174.700 -0.126 0.000 1.036 267 T CA 1.173 63.183 62.100 -0.150 0.000 1.148 267 T CB -1.080 67.707 68.868 -0.134 0.000 0.863 267 T HN 0.040 nan 8.240 nan 0.000 0.436 268 L N 0.738 121.847 121.223 -0.189 0.000 2.012 268 L HA -0.144 4.192 4.340 -0.006 0.000 0.210 268 L C 3.068 179.929 176.870 -0.015 0.000 1.073 268 L CA 1.426 56.205 54.840 -0.103 0.000 0.748 268 L CB -0.680 41.281 42.059 -0.163 0.000 0.891 268 L HN 0.272 nan 8.230 nan 0.000 0.431 269 A N -0.150 122.652 122.820 -0.029 0.000 1.933 269 A HA -0.259 4.058 4.320 -0.006 0.000 0.218 269 A C 1.996 179.599 177.584 0.032 0.000 1.175 269 A CA 2.158 54.234 52.037 0.066 0.000 0.628 269 A CB -0.693 18.392 19.000 0.143 0.000 0.814 269 A HN 0.480 nan 8.150 nan 0.000 0.444 270 N N -0.128 118.568 118.700 -0.006 0.000 2.521 270 N HA -0.029 4.708 4.740 -0.006 0.000 0.188 270 N C 0.728 176.234 175.510 -0.006 0.000 1.146 270 N CA 0.840 53.882 53.050 -0.015 0.000 0.893 270 N CB -0.232 38.242 38.487 -0.022 0.000 0.975 270 N HN 0.542 nan 8.380 nan 0.000 0.451 271 S N -2.055 113.654 115.700 0.015 0.000 2.730 271 S HA 0.168 4.634 4.470 -0.006 0.000 0.284 271 S C 1.401 176.004 174.600 0.005 0.000 1.153 271 S CA -0.063 58.134 58.200 -0.004 0.000 0.995 271 S CB 0.868 64.075 63.200 0.011 0.000 1.058 271 S HN 0.257 nan 8.310 nan 0.000 0.552 272 T N -1.522 112.937 114.554 -0.158 0.000 3.113 272 T HA -0.006 4.340 4.350 -0.006 0.000 0.263 272 T C 0.592 175.059 174.700 -0.389 0.000 1.143 272 T CA 0.724 62.685 62.100 -0.232 0.000 1.090 272 T CB -0.716 67.953 68.868 -0.332 0.000 0.922 272 T HN 0.754 nan 8.240 nan 0.000 0.521 273 H N 0.751 119.811 119.070 -0.016 0.000 2.488 273 H HA 0.197 4.750 4.556 -0.006 0.000 0.294 273 H C 1.440 176.696 175.328 -0.121 0.000 1.088 273 H CA 0.321 56.318 56.048 -0.086 0.000 1.086 273 H CB -0.459 29.283 29.762 -0.034 0.000 1.569 273 H HN 0.831 nan 8.280 nan 0.000 0.548 274 H N -0.653 118.434 119.070 0.028 0.000 2.489 274 H HA -0.058 4.495 4.556 -0.006 0.000 0.295 274 H C 1.203 176.539 175.328 0.012 0.000 1.082 274 H CA 1.087 57.142 56.048 0.012 0.000 1.295 274 H CB 0.037 29.797 29.762 -0.003 0.000 1.380 274 H HN 0.036 nan 8.280 nan 0.000 0.548 275 N N 0.734 119.224 118.700 -0.350 0.000 2.494 275 N HA -0.000 4.736 4.740 -0.006 0.000 0.182 275 N C -0.179 175.274 175.510 -0.095 0.000 1.076 275 N CA 0.287 53.235 53.050 -0.170 0.000 0.908 275 N CB 0.247 38.603 38.487 -0.218 0.000 0.967 275 N HN 0.197 nan 8.380 nan 0.000 0.449 276 V N 3.104 122.972 119.914 -0.076 0.000 2.572 276 V HA 0.033 4.149 4.120 -0.006 0.000 0.291 276 V C 0.760 176.748 176.094 -0.178 0.000 1.039 276 V CA -0.321 61.922 62.300 -0.095 0.000 1.055 276 V CB 0.652 32.450 31.823 -0.042 0.000 0.969 276 V HN 0.107 nan 8.190 nan 0.000 0.482 277 R N 3.482 123.781 120.500 -0.335 0.000 2.539 277 R HA 0.442 4.779 4.340 -0.006 0.000 0.275 277 R C -0.534 175.566 176.300 -0.335 0.000 1.077 277 R CA -0.684 55.171 56.100 -0.409 0.000 1.097 277 R CB 0.593 30.444 30.300 -0.749 0.000 1.018 277 R HN 0.503 nan 8.270 nan 0.000 0.483 278 L N 3.006 124.101 121.223 -0.212 0.000 2.322 278 L HA 0.462 4.798 4.340 -0.006 0.000 0.281 278 L C -1.159 175.612 176.870 -0.164 0.000 1.014 278 L CA -0.316 54.404 54.840 -0.201 0.000 0.815 278 L CB 1.247 43.200 42.059 -0.178 0.000 1.247 278 L HN 0.444 nan 8.230 nan 0.000 0.421 279 L N 5.671 126.778 121.223 -0.193 0.000 2.346 279 L HA 0.631 4.968 4.340 -0.006 0.000 0.274 279 L C 0.094 176.888 176.870 -0.127 0.000 1.007 279 L CA -0.740 54.012 54.840 -0.147 0.000 0.818 279 L CB 1.776 43.733 42.059 -0.170 0.000 1.284 279 L HN 0.753 nan 8.230 nan 0.000 0.424 280 M N 1.661 121.201 119.600 -0.100 0.000 2.649 280 M HA 0.620 5.096 4.480 -0.006 0.000 0.294 280 M C 0.439 176.681 176.300 -0.098 0.000 1.206 280 M CA -0.407 54.843 55.300 -0.083 0.000 0.928 280 M CB 1.792 34.364 32.600 -0.047 0.000 1.571 280 M HN 0.521 nan 8.290 nan 0.000 0.501 281 L N 0.355 121.512 121.223 -0.109 0.000 4.060 281 L HA -0.329 4.007 4.340 -0.006 0.000 0.053 281 L C 0.233 176.846 176.870 -0.429 0.000 4.128 281 L CA 2.975 57.616 54.840 -0.332 0.000 0.832 281 L CB -1.834 40.056 42.059 -0.281 0.000 3.418 281 L HN 1.196 nan 8.230 nan 0.000 0.958 282 D N 0.688 120.879 120.400 -0.349 0.000 2.697 282 D HA -0.076 4.561 4.640 -0.006 0.000 0.238 282 D C -0.420 175.334 176.300 -0.910 0.000 1.152 282 D CA 1.462 55.212 54.000 -0.417 0.000 0.666 282 D CB -0.808 39.832 40.800 -0.267 0.000 1.037 282 D HN 0.737 nan 8.370 nan 0.000 0.423 283 D N -0.807 119.055 120.400 -0.896 0.000 2.713 283 D HA 0.133 4.770 4.640 -0.006 0.000 0.306 283 D C -0.489 175.512 176.300 -0.498 0.000 1.299 283 D CA -0.460 53.032 54.000 -0.847 0.000 0.823 283 D CB 0.702 41.054 40.800 -0.746 0.000 1.353 283 D HN -0.086 nan 8.370 nan 0.000 0.447 284 Q N 0.716 120.335 119.800 -0.301 0.000 2.349 284 Q HA 0.051 4.387 4.340 -0.006 0.000 0.287 284 Q C 1.131 176.994 176.000 -0.228 0.000 1.044 284 Q CA 0.333 56.071 55.803 -0.109 0.000 0.918 284 Q CB 0.416 29.155 28.738 0.002 0.000 1.242 284 Q HN 0.499 nan 8.270 nan 0.000 0.405 285 R N 1.402 121.742 120.500 -0.266 0.000 2.316 285 R HA -0.053 4.284 4.340 -0.006 0.000 0.202 285 R C 1.402 177.532 176.300 -0.283 0.000 1.029 285 R CA 0.399 56.333 56.100 -0.278 0.000 1.018 285 R CB -0.281 29.840 30.300 -0.299 0.000 0.888 285 R HN 0.390 nan 8.270 nan 0.000 0.471 286 L N 1.100 122.126 121.223 -0.329 0.000 2.349 286 L HA -0.039 4.297 4.340 -0.006 0.000 0.220 286 L C 1.741 178.543 176.870 -0.115 0.000 1.130 286 L CA 1.237 55.939 54.840 -0.231 0.000 0.791 286 L CB 0.017 41.957 42.059 -0.199 0.000 0.918 286 L HN 0.249 nan 8.230 nan 0.000 0.444 287 L N -1.098 120.049 121.223 -0.128 0.000 2.591 287 L HA 0.079 4.415 4.340 -0.006 0.000 0.228 287 L C 0.177 177.112 176.870 0.109 0.000 1.133 287 L CA -0.120 54.703 54.840 -0.028 0.000 0.880 287 L CB -0.094 41.781 42.059 -0.308 0.000 1.033 287 L HN 0.091 nan 8.230 nan 0.000 0.450 288 L N 0.393 121.634 121.223 0.030 0.000 2.334 288 L HA 0.322 4.659 4.340 -0.006 0.000 0.272 288 L C -1.294 175.622 176.870 0.077 0.000 1.020 288 L CA -1.600 53.285 54.840 0.074 0.000 0.812 288 L CB 1.490 43.556 42.059 0.013 0.000 1.264 288 L HN -0.202 nan 8.230 nan 0.000 0.439 289 P HA -0.097 nan 4.420 nan 0.000 0.236 289 P C 1.070 178.486 177.300 0.192 0.000 1.177 289 P CA 0.789 63.983 63.100 0.157 0.000 0.773 289 P CB 0.123 31.915 31.700 0.153 0.000 0.878 290 H N -0.488 118.657 119.070 0.125 0.000 2.292 290 H HA -0.197 4.356 4.556 -0.006 0.000 0.292 290 H C 1.588 176.994 175.328 0.130 0.000 1.100 290 H CA 2.323 58.441 56.048 0.118 0.000 1.238 290 H CB -0.912 28.916 29.762 0.110 0.000 1.355 290 H HN 0.041 nan 8.280 nan 0.000 0.484 291 W N 0.365 121.620 121.300 -0.075 0.000 2.363 291 W HA -0.084 4.572 4.660 -0.005 0.000 0.296 291 W C 2.865 179.266 176.519 -0.197 0.000 1.212 291 W CA 2.126 59.383 57.345 -0.146 0.000 1.260 291 W CB -0.716 28.702 29.460 -0.070 0.000 1.131 291 W HN 0.395 nan 8.180 nan 0.000 0.530 292 A N 0.094 122.951 122.820 0.062 0.000 1.873 292 A HA -0.201 4.116 4.320 -0.006 0.000 0.215 292 A C 1.980 179.414 177.584 -0.250 0.000 1.186 292 A CA 1.778 53.732 52.037 -0.139 0.000 0.616 292 A CB -0.666 18.288 19.000 -0.077 0.000 0.823 292 A HN 0.255 nan 8.150 nan 0.000 0.442 293 K N -0.323 120.074 120.400 -0.004 0.000 2.074 293 K HA -0.140 4.176 4.320 -0.006 0.000 0.209 293 K C 1.897 178.434 176.600 -0.104 0.000 1.048 293 K CA 1.668 58.005 56.287 0.083 0.000 0.926 293 K CB -0.498 32.044 32.500 0.069 0.000 0.713 293 K HN 0.341 nan 8.250 nan 0.000 0.444 294 V N 0.876 120.622 119.914 -0.281 0.000 2.307 294 V HA -0.184 3.933 4.120 -0.006 0.000 0.245 294 V C 2.275 178.233 176.094 -0.226 0.000 1.045 294 V CA 1.440 63.558 62.300 -0.303 0.000 1.024 294 V CB -0.209 31.320 31.823 -0.489 0.000 0.651 294 V HN 0.073 nan 8.190 nan 0.000 0.449 295 V N -0.606 119.163 119.914 -0.241 0.000 2.446 295 V HA -0.055 4.062 4.120 -0.006 0.000 0.244 295 V C 2.069 178.042 176.094 -0.202 0.000 1.039 295 V CA 1.352 63.535 62.300 -0.195 0.000 1.045 295 V CB -0.321 31.405 31.823 -0.163 0.000 0.681 295 V HN 0.409 nan 8.190 nan 0.000 0.459 296 L N 0.743 121.772 121.223 -0.322 0.000 2.492 296 L HA -0.008 4.329 4.340 -0.006 0.000 0.223 296 L C 2.281 179.063 176.870 -0.148 0.000 1.132 296 L CA 1.314 55.918 54.840 -0.394 0.000 0.850 296 L CB -0.510 40.968 42.059 -0.967 0.000 0.966 296 L HN 0.540 nan 8.230 nan 0.000 0.454 297 T N -4.921 109.606 114.554 -0.045 0.000 3.107 297 T HA -0.014 4.333 4.350 -0.006 0.000 0.249 297 T C 0.465 175.165 174.700 0.000 0.000 1.096 297 T CA -0.271 61.865 62.100 0.059 0.000 1.012 297 T CB -0.182 68.742 68.868 0.094 0.000 0.977 297 T HN 0.018 nan 8.240 nan 0.000 0.527 298 D N 1.919 122.296 120.400 -0.039 0.000 2.454 298 D HA 0.333 4.970 4.640 -0.006 0.000 0.225 298 D C -1.931 174.343 176.300 -0.042 0.000 1.081 298 D CA -2.748 51.229 54.000 -0.038 0.000 0.864 298 D CB 1.928 42.701 40.800 -0.046 0.000 1.040 298 D HN -0.055 nan 8.370 nan 0.000 0.517 299 P HA -0.158 nan 4.420 nan 0.000 0.218 299 P C 1.054 178.308 177.300 -0.076 0.000 1.146 299 P CA 0.741 63.809 63.100 -0.053 0.000 0.813 299 P CB 0.465 32.138 31.700 -0.045 0.000 0.778 300 E N -0.449 119.722 120.200 -0.048 0.000 2.106 300 E HA -0.116 4.230 4.350 -0.006 0.000 0.192 300 E C 1.888 178.503 176.600 0.025 0.000 0.984 300 E CA 1.527 57.914 56.400 -0.023 0.000 0.806 300 E CB -0.758 28.946 29.700 0.006 0.000 0.750 300 E HN 0.126 nan 8.360 nan 0.000 0.458 301 A N 0.488 123.312 122.820 0.006 0.000 1.871 301 A HA 0.218 4.534 4.320 -0.006 0.000 0.211 301 A C 2.407 179.985 177.584 -0.009 0.000 1.207 301 A CA 1.431 53.488 52.037 0.034 0.000 0.620 301 A CB -0.898 18.085 19.000 -0.029 0.000 0.860 301 A HN 0.265 nan 8.150 nan 0.000 0.450 302 A N 1.456 124.231 122.820 -0.075 0.000 1.958 302 A HA -0.274 4.042 4.320 -0.006 0.000 0.221 302 A C 2.047 179.557 177.584 -0.124 0.000 1.178 302 A CA 2.304 54.280 52.037 -0.102 0.000 0.642 302 A CB -0.748 18.195 19.000 -0.095 0.000 0.816 302 A HN 0.723 nan 8.150 nan 0.000 0.453 303 K N -1.872 118.400 120.400 -0.213 0.000 2.280 303 K HA -0.145 4.171 4.320 -0.006 0.000 0.202 303 K C 1.281 177.659 176.600 -0.370 0.000 1.047 303 K CA 1.718 57.803 56.287 -0.336 0.000 0.942 303 K CB -0.434 31.765 32.500 -0.501 0.000 0.739 303 K HN 0.623 nan 8.250 nan 0.000 0.457 304 Y N 1.077 121.326 120.300 -0.084 0.000 2.458 304 Y HA 0.170 4.717 4.550 -0.006 0.000 0.254 304 Y C 0.433 176.270 175.900 -0.104 0.000 1.120 304 Y CA -0.747 57.292 58.100 -0.101 0.000 1.282 304 Y CB 1.063 39.437 38.460 -0.145 0.000 1.109 304 Y HN -0.216 nan 8.280 nan 0.000 0.526 305 V N 0.848 120.777 119.914 0.026 0.000 2.364 305 V HA 0.025 4.142 4.120 -0.006 0.000 0.272 305 V C 0.613 176.705 176.094 -0.003 0.000 1.036 305 V CA -0.277 62.011 62.300 -0.021 0.000 0.880 305 V CB 0.922 32.700 31.823 -0.075 0.000 0.991 305 V HN 0.321 nan 8.190 nan 0.000 0.460 306 H N 3.895 122.913 119.070 -0.087 0.000 2.465 306 H HA 0.408 4.960 4.556 -0.006 0.000 0.289 306 H C 0.789 176.089 175.328 -0.047 0.000 1.022 306 H CA 1.078 57.086 56.048 -0.068 0.000 1.340 306 H CB 0.605 30.310 29.762 -0.095 0.000 1.437 306 H HN 0.761 nan 8.280 nan 0.000 0.539 307 G N -0.731 108.006 108.800 -0.106 0.000 2.559 307 G HA2 0.426 4.382 3.960 -0.006 0.000 0.291 307 G HA3 0.426 4.382 3.960 -0.006 0.000 0.291 307 G C -1.664 173.204 174.900 -0.053 0.000 1.424 307 G CA -0.747 44.288 45.100 -0.109 0.000 0.786 307 G HN 0.131 nan 8.290 nan 0.000 0.485 308 I N 1.217 121.783 120.570 -0.006 0.000 2.362 308 I HA 0.563 4.730 4.170 -0.006 0.000 0.289 308 I C 0.548 176.698 176.117 0.055 0.000 0.994 308 I CA -0.685 60.612 61.300 -0.004 0.000 1.158 308 I CB 1.929 39.925 38.000 -0.006 0.000 1.315 308 I HN 0.622 nan 8.210 nan 0.000 0.451 309 A N 6.916 129.753 122.820 0.028 0.000 2.301 309 A HA 0.747 5.063 4.320 -0.006 0.000 0.298 309 A C -0.268 177.314 177.584 -0.003 0.000 1.185 309 A CA -0.457 51.640 52.037 0.100 0.000 0.830 309 A CB 0.757 19.818 19.000 0.102 0.000 1.112 309 A HN 0.608 nan 8.150 nan 0.000 0.508 310 V N 0.879 120.811 119.914 0.029 0.000 2.864 310 V HA 0.659 4.776 4.120 -0.006 0.000 0.314 310 V C -0.437 175.721 176.094 0.106 0.000 1.073 310 V CA -0.764 61.520 62.300 -0.027 0.000 0.956 310 V CB 1.304 33.092 31.823 -0.058 0.000 1.023 310 V HN 0.926 nan 8.190 nan 0.000 0.435 311 H N 2.206 121.193 119.070 -0.140 0.000 2.573 311 H HA 0.499 5.052 4.556 -0.005 0.000 0.351 311 H C -1.590 173.792 175.328 0.090 0.000 1.163 311 H CA -0.632 55.350 56.048 -0.110 0.000 1.205 311 H CB 2.485 32.177 29.762 -0.118 0.000 1.605 311 H HN 0.842 nan 8.280 nan 0.000 0.525 312 W N 3.414 124.671 121.300 -0.073 0.000 3.042 312 W HA 0.108 4.765 4.660 -0.006 0.000 0.337 312 W C -1.678 174.908 176.519 0.112 0.000 1.086 312 W CA -0.874 56.477 57.345 0.011 0.000 1.236 312 W CB 1.666 31.139 29.460 0.023 0.000 1.381 312 W HN 0.509 nan 8.180 nan 0.000 0.472 313 Y N 6.449 126.539 120.300 -0.351 0.000 2.452 313 Y HA 0.194 4.741 4.550 -0.006 0.000 0.348 313 Y C 0.450 175.822 175.900 -0.880 0.000 0.985 313 Y CA -0.040 57.765 58.100 -0.492 0.000 1.214 313 Y CB 0.651 38.906 38.460 -0.342 0.000 1.136 313 Y HN 0.504 nan 8.280 nan 0.000 0.523 314 L N 3.871 124.990 121.223 -0.172 0.000 2.395 314 L HA -0.077 4.259 4.340 -0.006 0.000 0.218 314 L C 1.396 178.107 176.870 -0.265 0.000 1.130 314 L CA 0.622 55.319 54.840 -0.239 0.000 0.826 314 L CB -0.067 42.066 42.059 0.124 0.000 0.941 314 L HN 0.519 nan 8.230 nan 0.000 0.451 315 D N -0.341 119.784 120.400 -0.459 0.000 2.392 315 D HA -0.042 4.594 4.640 -0.006 0.000 0.228 315 D C 0.714 176.729 176.300 -0.475 0.000 1.003 315 D CA 0.848 54.602 54.000 -0.411 0.000 0.917 315 D CB 0.172 40.699 40.800 -0.455 0.000 0.890 315 D HN 0.126 nan 8.370 nan 0.000 0.532 316 F N -0.503 119.079 119.950 -0.613 0.000 2.690 316 F HA 0.496 5.019 4.527 -0.006 0.000 0.332 316 F C 0.072 175.917 175.800 0.074 0.000 1.215 316 F CA -1.001 56.809 58.000 -0.316 0.000 1.086 316 F CB 0.513 39.198 39.000 -0.525 0.000 1.828 316 F HN -0.351 nan 8.300 nan 0.000 0.519 317 L N 0.664 122.303 121.223 0.694 0.000 2.811 317 L HA 0.595 4.932 4.340 -0.006 0.000 0.251 317 L C -1.506 175.660 176.870 0.494 0.000 0.971 317 L CA -0.156 55.029 54.840 0.575 0.000 0.990 317 L CB 0.703 42.931 42.059 0.283 0.000 1.320 317 L HN 0.540 nan 8.230 nan 0.000 0.473 318 A N 5.233 128.211 122.820 0.262 0.000 2.304 318 A HA 0.948 5.264 4.320 -0.006 0.000 0.314 318 A C -2.689 174.740 177.584 -0.259 0.000 1.187 318 A CA -1.417 50.484 52.037 -0.228 0.000 0.810 318 A CB 0.583 19.078 19.000 -0.842 0.000 1.183 318 A HN 0.440 nan 8.150 nan 0.000 0.487 319 P HA 0.275 nan 4.420 nan 0.000 0.267 319 P C 0.806 177.951 177.300 -0.259 0.000 1.205 319 P CA 0.230 63.241 63.100 -0.148 0.000 0.765 319 P CB 1.277 32.923 31.700 -0.089 0.000 0.828 320 A N 4.102 126.709 122.820 -0.354 0.000 1.930 320 A HA -0.135 4.181 4.320 -0.006 0.000 0.215 320 A C 2.063 179.226 177.584 -0.702 0.000 1.176 320 A CA 1.319 53.010 52.037 -0.577 0.000 0.632 320 A CB -0.766 17.762 19.000 -0.788 0.000 0.819 320 A HN 0.535 nan 8.150 nan 0.000 0.445 321 K N -0.057 119.961 120.400 -0.637 0.000 2.026 321 K HA -0.074 4.242 4.320 -0.006 0.000 0.208 321 K C 2.016 178.552 176.600 -0.107 0.000 1.048 321 K CA 1.291 57.392 56.287 -0.311 0.000 0.929 321 K CB -0.319 32.142 32.500 -0.065 0.000 0.713 321 K HN 0.335 nan 8.250 nan 0.000 0.439 322 A N 0.210 122.968 122.820 -0.104 0.000 2.121 322 A HA -0.100 4.217 4.320 -0.006 0.000 0.218 322 A C 1.908 179.465 177.584 -0.046 0.000 1.154 322 A CA 1.932 53.941 52.037 -0.048 0.000 0.679 322 A CB -0.544 18.429 19.000 -0.046 0.000 0.795 322 A HN 0.669 nan 8.150 nan 0.000 0.458 323 T N -2.974 111.521 114.554 -0.097 0.000 3.348 323 T HA 0.198 4.544 4.350 -0.006 0.000 0.233 323 T C 1.807 176.493 174.700 -0.023 0.000 0.960 323 T CA 0.609 62.662 62.100 -0.078 0.000 1.343 323 T CB -0.666 68.106 68.868 -0.160 0.000 1.068 323 T HN 0.126 nan 8.240 nan 0.000 0.410 324 L N 1.478 122.667 121.223 -0.058 0.000 2.027 324 L HA 0.172 4.509 4.340 -0.006 0.000 0.206 324 L C 3.160 180.158 176.870 0.213 0.000 1.074 324 L CA 1.577 56.454 54.840 0.062 0.000 0.745 324 L CB -1.138 40.942 42.059 0.036 0.000 0.898 324 L HN 0.564 nan 8.230 nan 0.000 0.433 325 G N -0.133 108.780 108.800 0.189 0.000 2.433 325 G HA2 -0.328 3.629 3.960 -0.006 0.000 0.216 325 G HA3 -0.328 3.629 3.960 -0.006 0.000 0.216 325 G C 1.486 176.546 174.900 0.266 0.000 1.186 325 G CA 1.010 46.341 45.100 0.385 0.000 0.779 325 G HN 0.348 nan 8.290 nan 0.000 0.543 326 E N 0.350 120.638 120.200 0.148 0.000 2.106 326 E HA -0.060 4.286 4.350 -0.006 0.000 0.192 326 E C 2.579 179.241 176.600 0.103 0.000 0.984 326 E CA 1.663 58.124 56.400 0.101 0.000 0.806 326 E CB -0.627 29.111 29.700 0.063 0.000 0.750 326 E HN 0.311 nan 8.360 nan 0.000 0.458 327 T N 0.208 114.847 114.554 0.141 0.000 2.788 327 T HA -0.191 4.156 4.350 -0.006 0.000 0.268 327 T C 1.610 176.427 174.700 0.194 0.000 1.044 327 T CA 1.419 63.636 62.100 0.195 0.000 1.139 327 T CB -0.511 68.466 68.868 0.181 0.000 0.867 327 T HN 0.384 nan 8.240 nan 0.000 0.454 328 H N 1.293 120.413 119.070 0.084 0.000 2.321 328 H HA 0.005 4.557 4.556 -0.006 0.000 0.300 328 H C 2.672 177.958 175.328 -0.071 0.000 1.087 328 H CA 1.550 57.580 56.048 -0.030 0.000 1.319 328 H CB -0.072 29.528 29.762 -0.269 0.000 1.379 328 H HN 0.213 nan 8.280 nan 0.000 0.501 329 R N 0.288 120.751 120.500 -0.062 0.000 2.096 329 R HA -0.152 4.185 4.340 -0.006 0.000 0.240 329 R C 2.709 178.868 176.300 -0.234 0.000 1.139 329 R CA 1.835 57.860 56.100 -0.125 0.000 0.952 329 R CB -0.173 30.116 30.300 -0.019 0.000 0.854 329 R HN 0.331 nan 8.270 nan 0.000 0.436 330 L N -0.947 120.123 121.223 -0.255 0.000 2.156 330 L HA -0.029 4.308 4.340 -0.006 0.000 0.208 330 L C 0.315 176.598 176.870 -0.979 0.000 1.095 330 L CA 0.767 55.252 54.840 -0.592 0.000 0.770 330 L CB 0.110 41.807 42.059 -0.603 0.000 0.914 330 L HN 0.086 nan 8.230 nan 0.000 0.439 331 F N -0.621 119.254 119.950 -0.124 0.000 2.710 331 F HA 0.307 4.830 4.527 -0.006 0.000 0.345 331 F C -1.715 173.955 175.800 -0.216 0.000 1.362 331 F CA -1.691 56.230 58.000 -0.132 0.000 1.175 331 F CB 0.367 39.320 39.000 -0.078 0.000 1.561 331 F HN -0.190 nan 8.300 nan 0.000 0.593 332 P HA -0.084 nan 4.420 nan 0.000 0.230 332 P C 0.279 177.484 177.300 -0.158 0.000 1.158 332 P CA 1.130 63.917 63.100 -0.522 0.000 0.769 332 P CB 0.423 31.839 31.700 -0.473 0.000 0.807 333 N N -0.829 117.843 118.700 -0.046 0.000 2.203 333 N HA 0.058 4.794 4.740 -0.006 0.000 0.207 333 N C -0.129 175.379 175.510 -0.003 0.000 1.130 333 N CA 0.372 53.421 53.050 -0.001 0.000 0.861 333 N CB 0.532 39.018 38.487 -0.002 0.000 1.005 333 N HN 0.042 nan 8.380 nan 0.000 0.507 334 T N 2.423 116.987 114.554 0.016 0.000 2.809 334 T HA 0.323 4.670 4.350 -0.006 0.000 0.296 334 T C 0.428 175.132 174.700 0.007 0.000 1.015 334 T CA -0.728 61.352 62.100 -0.034 0.000 0.954 334 T CB 0.979 69.826 68.868 -0.035 0.000 0.950 334 T HN 0.081 nan 8.240 nan 0.000 0.450 335 M N 3.542 123.110 119.600 -0.052 0.000 2.249 335 M HA 0.394 4.871 4.480 -0.006 0.000 0.340 335 M C -0.795 175.566 176.300 0.101 0.000 1.166 335 M CA 0.189 55.519 55.300 0.049 0.000 1.115 335 M CB -0.332 32.293 32.600 0.043 0.000 1.606 335 M HN 0.344 nan 8.290 nan 0.000 0.448 336 L N 3.868 125.190 121.223 0.164 0.000 2.334 336 L HA 0.657 4.994 4.340 -0.006 0.000 0.277 336 L C -0.870 176.152 176.870 0.253 0.000 1.075 336 L CA -0.192 54.752 54.840 0.174 0.000 0.804 336 L CB 0.849 43.005 42.059 0.161 0.000 1.174 336 L HN 0.836 nan 8.230 nan 0.000 0.438 337 F N 2.264 122.246 119.950 0.053 0.000 2.588 337 F HA 0.620 5.144 4.527 -0.006 0.000 0.318 337 F C -0.446 175.357 175.800 0.006 0.000 1.155 337 F CA -0.736 57.299 58.000 0.060 0.000 0.967 337 F CB 1.259 40.350 39.000 0.151 0.000 1.236 337 F HN 0.435 nan 8.300 nan 0.000 0.455 338 A N 3.575 126.056 122.820 -0.564 0.000 2.350 338 A HA 0.453 4.770 4.320 -0.006 0.000 0.293 338 A C 0.565 177.705 177.584 -0.739 0.000 1.231 338 A CA 0.316 52.019 52.037 -0.556 0.000 0.883 338 A CB -0.061 18.563 19.000 -0.627 0.000 1.133 338 A HN 1.017 nan 8.150 nan 0.000 0.533 339 S N 1.233 116.758 115.700 -0.291 0.000 2.524 339 S HA 0.257 4.723 4.470 -0.006 0.000 0.215 339 S C 0.279 174.696 174.600 -0.305 0.000 0.986 339 S CA 0.218 58.370 58.200 -0.080 0.000 0.911 339 S CB 0.142 63.485 63.200 0.239 0.000 0.805 339 S HN 0.792 nan 8.310 nan 0.000 0.501 340 E N -0.178 119.669 120.200 -0.587 0.000 2.406 340 E HA 0.587 4.934 4.350 -0.006 0.000 0.297 340 E C -1.874 174.302 176.600 -0.708 0.000 0.917 340 E CA -0.365 55.588 56.400 -0.745 0.000 0.795 340 E CB 1.731 30.655 29.700 -1.293 0.000 1.285 340 E HN 0.349 nan 8.360 nan 0.000 0.400 341 A N 2.246 124.678 122.820 -0.646 0.000 2.498 341 A HA 0.919 5.236 4.320 -0.006 0.000 0.298 341 A C -0.912 176.570 177.584 -0.170 0.000 1.075 341 A CA -0.421 51.318 52.037 -0.496 0.000 0.714 341 A CB 1.086 19.570 19.000 -0.861 0.000 1.299 341 A HN 0.898 nan 8.150 nan 0.000 0.407 342 C N -0.531 118.780 119.300 0.018 0.000 3.312 342 C HA 0.884 5.340 4.460 -0.006 0.000 0.332 342 C C -1.029 174.131 174.990 0.282 0.000 1.340 342 C CA -0.560 58.589 59.018 0.219 0.000 1.265 342 C CB 0.727 28.578 27.740 0.186 0.000 1.563 342 C HN 1.762 nan 8.230 nan 0.000 0.471 343 V N 0.457 120.566 119.914 0.324 0.000 3.130 343 V HA 0.942 5.058 4.120 -0.006 0.000 0.310 343 V C 0.661 176.894 176.094 0.232 0.000 1.158 343 V CA 0.965 63.496 62.300 0.387 0.000 1.029 343 V CB 1.918 33.957 31.823 0.360 0.000 1.057 343 V HN 2.751 nan 8.190 nan 0.000 0.436 344 G N 2.245 111.216 108.800 0.284 0.000 2.183 344 G HA2 -0.177 3.779 3.960 -0.006 0.000 0.168 344 G HA3 -0.177 3.779 3.960 -0.006 0.000 0.168 344 G C 0.810 175.791 174.900 0.136 0.000 1.008 344 G CA 0.901 46.069 45.100 0.113 0.000 0.677 344 G HN 1.820 nan 8.290 nan 0.000 0.498 345 S N -0.114 115.795 115.700 0.348 0.000 2.603 345 S HA 0.210 4.676 4.470 -0.006 0.000 0.220 345 S C 0.991 175.693 174.600 0.171 0.000 0.967 345 S CA 0.634 59.035 58.200 0.335 0.000 0.920 345 S CB -0.124 63.333 63.200 0.429 0.000 0.773 345 S HN 0.466 nan 8.310 nan 0.000 0.529 346 K N 2.035 122.408 120.400 -0.045 0.000 2.365 346 K HA -0.056 4.261 4.320 -0.006 0.000 0.268 346 K C 0.810 177.175 176.600 -0.392 0.000 1.173 346 K CA 0.299 56.331 56.287 -0.425 0.000 1.204 346 K CB -0.193 31.617 32.500 -1.150 0.000 0.832 346 K HN 0.609 nan 8.250 nan 0.000 0.481 347 F N 3.398 123.249 119.950 -0.164 0.000 2.192 347 F HA -0.200 4.324 4.527 -0.005 0.000 0.301 347 F C 1.316 177.152 175.800 0.059 0.000 1.079 347 F CA 0.543 58.548 58.000 0.009 0.000 1.303 347 F CB -0.325 38.739 39.000 0.106 0.000 1.024 347 F HN 0.589 nan 8.300 nan 0.000 0.494 348 W N 1.414 122.141 121.300 -0.955 0.000 3.077 348 W HA 0.336 4.992 4.660 -0.006 0.000 0.245 348 W C -0.330 176.022 176.519 -0.278 0.000 1.316 348 W CA -0.256 56.635 57.345 -0.756 0.000 1.537 348 W CB -1.224 27.780 29.460 -0.761 0.000 1.131 348 W HN 0.174 nan 8.180 nan 0.000 0.695 349 E N 1.509 121.468 120.200 -0.402 0.000 2.212 349 E HA 0.169 4.516 4.350 -0.006 0.000 0.268 349 E C -0.615 175.899 176.600 -0.142 0.000 0.902 349 E CA -0.950 55.279 56.400 -0.285 0.000 0.779 349 E CB 1.661 31.042 29.700 -0.532 0.000 1.172 349 E HN -0.179 nan 8.360 nan 0.000 0.409 350 Q N 0.745 120.502 119.800 -0.071 0.000 2.315 350 Q HA -0.000 4.336 4.340 -0.006 0.000 0.289 350 Q C 0.781 176.736 176.000 -0.074 0.000 1.044 350 Q CA 0.337 56.115 55.803 -0.042 0.000 0.920 350 Q CB 0.405 29.135 28.738 -0.013 0.000 1.214 350 Q HN 0.425 nan 8.270 nan 0.000 0.392 351 S N 0.605 116.286 115.700 -0.031 0.000 2.370 351 S HA -0.048 4.418 4.470 -0.006 0.000 0.226 351 S C 0.589 175.152 174.600 -0.062 0.000 1.033 351 S CA 0.708 58.894 58.200 -0.023 0.000 1.011 351 S CB 0.315 63.517 63.200 0.004 0.000 0.852 351 S HN 0.451 nan 8.310 nan 0.000 0.457 352 V N 2.300 122.167 119.914 -0.079 0.000 2.417 352 V HA 0.400 4.516 4.120 -0.006 0.000 0.291 352 V C -0.113 175.858 176.094 -0.205 0.000 1.024 352 V CA -0.580 61.649 62.300 -0.118 0.000 0.861 352 V CB 1.456 33.226 31.823 -0.088 0.000 0.985 352 V HN 0.186 nan 8.190 nan 0.000 0.436 353 R N 4.871 125.176 120.500 -0.325 0.000 2.312 353 R HA 0.465 4.801 4.340 -0.006 0.000 0.310 353 R C -0.942 175.096 176.300 -0.437 0.000 1.064 353 R CA -0.612 55.074 56.100 -0.690 0.000 0.983 353 R CB 1.192 30.915 30.300 -0.962 0.000 1.139 353 R HN 0.616 nan 8.270 nan 0.000 0.536 354 L N 2.465 123.554 121.223 -0.224 0.000 2.597 354 L HA 0.066 4.402 4.340 -0.006 0.000 0.271 354 L C 1.267 178.207 176.870 0.116 0.000 1.157 354 L CA 0.813 55.573 54.840 -0.133 0.000 0.928 354 L CB 0.536 42.274 42.059 -0.536 0.000 1.216 354 L HN 1.016 nan 8.230 nan 0.000 0.481 355 G N 1.940 110.803 108.800 0.105 0.000 2.159 355 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.227 355 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.227 355 G C 0.390 175.416 174.900 0.210 0.000 0.986 355 G CA 0.101 45.325 45.100 0.208 0.000 0.651 355 G HN 0.607 nan 8.290 nan 0.000 0.523 356 S N 0.229 115.976 115.700 0.079 0.000 2.507 356 S HA 0.193 4.660 4.470 -0.006 0.000 0.299 356 S C 1.309 175.978 174.600 0.115 0.000 1.214 356 S CA 0.486 58.720 58.200 0.057 0.000 1.137 356 S CB -0.256 62.880 63.200 -0.108 0.000 1.009 356 S HN 0.427 nan 8.310 nan 0.000 0.512 357 W N 4.575 125.881 121.300 0.009 0.000 2.363 357 W HA -0.161 4.496 4.660 -0.006 0.000 0.296 357 W C 1.138 177.627 176.519 -0.050 0.000 1.212 357 W CA 1.588 58.935 57.345 0.004 0.000 1.260 357 W CB -0.330 29.128 29.460 -0.004 0.000 1.131 357 W HN 0.801 nan 8.180 nan 0.000 0.530 358 D N -0.389 120.032 120.400 0.035 0.000 2.104 358 D HA -0.213 4.424 4.640 -0.006 0.000 0.194 358 D C 2.308 178.526 176.300 -0.137 0.000 0.994 358 D CA 2.051 56.029 54.000 -0.037 0.000 0.830 358 D CB -0.085 40.734 40.800 0.030 0.000 0.959 358 D HN 0.042 nan 8.370 nan 0.000 0.452 359 R N -0.313 120.104 120.500 -0.139 0.000 2.092 359 R HA -0.004 4.332 4.340 -0.006 0.000 0.231 359 R C 2.391 178.540 176.300 -0.252 0.000 1.119 359 R CA 1.067 57.088 56.100 -0.132 0.000 0.970 359 R CB -0.400 29.822 30.300 -0.130 0.000 0.864 359 R HN 0.179 nan 8.270 nan 0.000 0.440 360 G N 1.195 109.717 108.800 -0.463 0.000 2.514 360 G HA2 -0.297 3.660 3.960 -0.006 0.000 0.217 360 G HA3 -0.297 3.660 3.960 -0.006 0.000 0.217 360 G C 1.426 175.682 174.900 -1.073 0.000 1.198 360 G CA 0.915 45.503 45.100 -0.852 0.000 0.780 360 G HN 0.166 nan 8.290 nan 0.000 0.565 361 M N 0.020 119.021 119.600 -0.998 0.000 2.202 361 M HA -0.119 4.357 4.480 -0.006 0.000 0.262 361 M C 2.746 179.005 176.300 -0.069 0.000 1.063 361 M CA 1.323 56.358 55.300 -0.441 0.000 1.097 361 M CB -0.368 32.122 32.600 -0.183 0.000 1.382 361 M HN 0.324 nan 8.290 nan 0.000 0.413 362 Q N -0.732 119.052 119.800 -0.027 0.000 2.079 362 Q HA -0.173 4.163 4.340 -0.006 0.000 0.200 362 Q C 1.898 178.058 176.000 0.266 0.000 0.974 362 Q CA 1.381 57.274 55.803 0.150 0.000 0.840 362 Q CB -0.140 28.697 28.738 0.164 0.000 0.898 362 Q HN 0.465 nan 8.270 nan 0.000 0.430 363 Y N 0.791 121.086 120.300 -0.008 0.000 2.128 363 Y HA -0.251 4.296 4.550 -0.006 0.000 0.284 363 Y C 2.822 178.601 175.900 -0.201 0.000 1.154 363 Y CA 1.574 59.656 58.100 -0.031 0.000 1.149 363 Y CB -0.584 37.875 38.460 -0.001 0.000 0.976 363 Y HN 0.172 nan 8.280 nan 0.000 0.505 364 S N -1.483 114.294 115.700 0.128 0.000 2.395 364 S HA -0.188 4.278 4.470 -0.006 0.000 0.225 364 S C 2.004 176.648 174.600 0.074 0.000 1.027 364 S CA 1.116 59.415 58.200 0.165 0.000 0.965 364 S CB -0.850 62.691 63.200 0.569 0.000 0.812 364 S HN 0.592 nan 8.310 nan 0.000 0.482 365 H N 1.675 120.784 119.070 0.066 0.000 2.352 365 H HA -0.066 4.487 4.556 -0.006 0.000 0.299 365 H C 2.387 177.730 175.328 0.024 0.000 1.097 365 H CA 1.793 57.884 56.048 0.072 0.000 1.311 365 H CB -0.413 29.408 29.762 0.098 0.000 1.377 365 H HN 0.544 nan 8.280 nan 0.000 0.504 366 S N 0.120 115.833 115.700 0.021 0.000 2.356 366 S HA -0.106 4.360 4.470 -0.006 0.000 0.223 366 S C 2.434 176.922 174.600 -0.187 0.000 1.032 366 S CA 1.325 59.546 58.200 0.035 0.000 1.005 366 S CB -0.427 62.940 63.200 0.278 0.000 0.867 366 S HN 0.446 nan 8.310 nan 0.000 0.449 367 I N 1.214 121.386 120.570 -0.665 0.000 2.163 367 I HA -0.192 3.975 4.170 -0.006 0.000 0.243 367 I C 2.335 178.124 176.117 -0.545 0.000 1.085 367 I CA 1.473 62.170 61.300 -1.005 0.000 1.347 367 I CB -0.484 36.485 38.000 -1.720 0.000 1.044 367 I HN 0.344 nan 8.210 nan 0.000 0.408 368 I N 0.359 120.689 120.570 -0.400 0.000 2.091 368 I HA -0.342 3.825 4.170 -0.006 0.000 0.239 368 I C 2.634 178.672 176.117 -0.131 0.000 1.061 368 I CA 1.931 63.151 61.300 -0.135 0.000 1.317 368 I CB -0.768 37.231 38.000 -0.002 0.000 1.031 368 I HN 0.251 nan 8.210 nan 0.000 0.401 369 T N 0.806 115.255 114.554 -0.176 0.000 2.624 369 T HA -0.233 4.113 4.350 -0.006 0.000 0.268 369 T C 1.736 176.468 174.700 0.053 0.000 1.041 369 T CA 1.851 63.918 62.100 -0.055 0.000 1.159 369 T CB -0.528 68.276 68.868 -0.106 0.000 0.863 369 T HN 0.351 nan 8.240 nan 0.000 0.434 370 N N 0.953 119.662 118.700 0.015 0.000 2.036 370 N HA -0.073 4.663 4.740 -0.006 0.000 0.195 370 N C 1.981 177.494 175.510 0.005 0.000 1.037 370 N CA 1.262 54.347 53.050 0.059 0.000 0.855 370 N CB -0.426 38.149 38.487 0.146 0.000 1.033 370 N HN 0.338 nan 8.380 nan 0.000 0.423 371 L N 1.184 122.374 121.223 -0.055 0.000 2.083 371 L HA -0.120 4.217 4.340 -0.006 0.000 0.209 371 L C 2.261 179.020 176.870 -0.186 0.000 1.083 371 L CA 0.701 55.497 54.840 -0.074 0.000 0.752 371 L CB -0.348 41.699 42.059 -0.020 0.000 0.899 371 L HN 0.165 nan 8.230 nan 0.000 0.433 372 L N -1.619 119.469 121.223 -0.224 0.000 2.362 372 L HA -0.170 4.166 4.340 -0.006 0.000 0.219 372 L C 0.635 176.979 176.870 -0.877 0.000 1.134 372 L CA 0.823 55.375 54.840 -0.480 0.000 0.807 372 L CB -0.183 41.637 42.059 -0.399 0.000 0.927 372 L HN 0.251 nan 8.230 nan 0.000 0.447 373 Y N -0.915 119.149 120.300 -0.394 0.000 2.722 373 Y HA 0.246 4.793 4.550 -0.006 0.000 0.314 373 Y C 0.414 176.093 175.900 -0.369 0.000 1.008 373 Y CA -0.770 57.027 58.100 -0.505 0.000 1.294 373 Y CB -0.509 37.835 38.460 -0.193 0.000 1.231 373 Y HN 0.150 nan 8.280 nan 0.000 0.558 374 H N -3.055 115.952 119.070 -0.105 0.000 3.642 374 H HA -0.149 4.403 4.556 -0.006 0.000 0.185 374 H C 0.078 175.394 175.328 -0.020 0.000 0.992 374 H CA 0.532 56.501 56.048 -0.132 0.000 1.216 374 H CB -1.623 27.936 29.762 -0.339 0.000 1.055 374 H HN 0.137 nan 8.280 nan 0.000 0.351 375 V N 2.820 122.782 119.914 0.080 0.000 2.637 375 V HA 0.049 4.166 4.120 -0.006 0.000 0.296 375 V C 2.019 178.142 176.094 0.048 0.000 1.046 375 V CA 0.733 63.079 62.300 0.076 0.000 1.066 375 V CB 1.539 33.389 31.823 0.046 0.000 0.968 375 V HN 0.349 nan 8.190 nan 0.000 0.483 376 V N 1.636 121.605 119.914 0.092 0.000 3.650 376 V HA 0.628 4.745 4.120 -0.006 0.000 0.271 376 V C 0.705 176.793 176.094 -0.010 0.000 1.281 376 V CA 0.895 63.249 62.300 0.090 0.000 1.120 376 V CB -0.125 31.811 31.823 0.189 0.000 0.856 376 V HN 0.935 nan 8.190 nan 0.000 0.443 377 G N -1.418 107.298 108.800 -0.140 0.000 2.673 377 G HA2 0.482 4.438 3.960 -0.006 0.000 0.292 377 G HA3 0.482 4.438 3.960 -0.006 0.000 0.292 377 G C -2.622 171.853 174.900 -0.708 0.000 1.450 377 G CA -0.692 44.107 45.100 -0.501 0.000 0.837 377 G HN 0.255 nan 8.290 nan 0.000 0.505 378 W N 1.237 121.976 121.300 -0.936 0.000 2.968 378 W HA 0.602 5.258 4.660 -0.005 0.000 0.337 378 W C -0.637 175.602 176.519 -0.467 0.000 1.060 378 W CA -0.433 56.531 57.345 -0.635 0.000 1.240 378 W CB 2.386 31.611 29.460 -0.390 0.000 1.370 378 W HN 0.535 nan 8.180 nan 0.000 0.459 379 T N 4.223 118.466 114.554 -0.518 0.000 2.791 379 T HA 0.117 4.463 4.350 -0.006 0.000 0.288 379 T C -0.521 173.916 174.700 -0.438 0.000 0.999 379 T CA -0.520 61.385 62.100 -0.326 0.000 0.952 379 T CB 1.242 70.001 68.868 -0.181 0.000 0.938 379 T HN 0.313 nan 8.240 nan 0.000 0.444 380 D N 1.244 121.545 120.400 -0.165 0.000 2.362 380 D HA 0.079 4.716 4.640 -0.006 0.000 0.238 380 D C 0.412 176.755 176.300 0.072 0.000 1.212 380 D CA -0.410 53.575 54.000 -0.026 0.000 0.902 380 D CB 0.800 41.765 40.800 0.276 0.000 1.180 380 D HN 0.562 nan 8.370 nan 0.000 0.445 381 W N 1.428 122.647 121.300 -0.135 0.000 1.629 381 W HA 0.050 4.707 4.660 -0.005 0.000 0.623 381 W C 0.372 176.806 176.519 -0.142 0.000 1.622 381 W CA -0.731 56.520 57.345 -0.156 0.000 1.726 381 W CB 0.030 29.372 29.460 -0.197 0.000 3.165 381 W HN 0.232 nan 8.180 nan 0.000 0.794 382 N N 2.615 120.913 118.700 -0.671 0.000 2.217 382 N HA -0.145 4.592 4.740 -0.006 0.000 0.268 382 N C 0.850 176.207 175.510 -0.256 0.000 1.290 382 N CA 0.716 53.344 53.050 -0.704 0.000 0.831 382 N CB 0.672 38.539 38.487 -1.033 0.000 1.057 382 N HN 0.350 nan 8.380 nan 0.000 0.481 383 L N 1.129 122.261 121.223 -0.152 0.000 2.131 383 L HA -0.088 4.249 4.340 -0.006 0.000 0.210 383 L C 1.033 177.983 176.870 0.133 0.000 1.092 383 L CA 0.959 55.803 54.840 0.005 0.000 0.759 383 L CB -0.095 41.964 42.059 -0.001 0.000 0.903 383 L HN 0.617 nan 8.230 nan 0.000 0.435 384 A N -0.870 121.936 122.820 -0.023 0.000 2.574 384 A HA 0.736 5.053 4.320 -0.006 0.000 0.297 384 A C -1.251 176.262 177.584 -0.119 0.000 1.062 384 A CA -0.485 51.533 52.037 -0.032 0.000 0.686 384 A CB 1.404 20.391 19.000 -0.022 0.000 1.285 384 A HN -0.016 nan 8.150 nan 0.000 0.403 385 L N 1.084 122.253 121.223 -0.090 0.000 2.303 385 L HA 0.499 4.835 4.340 -0.006 0.000 0.256 385 L C 0.019 176.870 176.870 -0.032 0.000 1.034 385 L CA -1.210 53.579 54.840 -0.085 0.000 0.832 385 L CB 2.319 44.311 42.059 -0.113 0.000 1.403 385 L HN 1.000 nan 8.230 nan 0.000 0.419 386 N N -0.046 118.646 118.700 -0.014 0.000 2.364 386 N HA 0.303 5.039 4.740 -0.006 0.000 0.264 386 N C -2.405 173.109 175.510 0.006 0.000 1.263 386 N CA -1.598 51.454 53.050 0.003 0.000 0.959 386 N CB -0.166 38.326 38.487 0.009 0.000 1.204 386 N HN 0.179 nan 8.380 nan 0.000 0.550 387 P HA 0.023 nan 4.420 nan 0.000 0.237 387 P C -0.153 177.143 177.300 -0.007 0.000 1.178 387 P CA 1.037 64.140 63.100 0.004 0.000 0.766 387 P CB 0.105 31.817 31.700 0.020 0.000 0.876 388 E N -1.199 119.003 120.200 0.003 0.000 2.474 388 E HA 0.274 4.620 4.350 -0.006 0.000 0.195 388 E C 0.978 177.576 176.600 -0.003 0.000 1.039 388 E CA 0.218 56.620 56.400 0.003 0.000 0.881 388 E CB -0.193 29.514 29.700 0.011 0.000 0.970 388 E HN 0.092 nan 8.360 nan 0.000 0.486 389 G N 0.861 109.658 108.800 -0.005 0.000 2.142 389 G HA2 -0.198 3.759 3.960 -0.006 0.000 0.225 389 G HA3 -0.198 3.759 3.960 -0.006 0.000 0.225 389 G C 0.261 175.204 174.900 0.071 0.000 1.015 389 G CA -0.182 44.920 45.100 0.004 0.000 0.716 389 G HN 0.492 nan 8.290 nan 0.000 0.508 390 G N -0.807 108.023 108.800 0.049 0.000 3.140 390 G HA2 0.884 4.841 3.960 -0.006 0.000 0.271 390 G HA3 0.884 4.841 3.960 -0.006 0.000 0.271 390 G C -2.925 172.011 174.900 0.060 0.000 1.370 390 G CA -0.789 44.345 45.100 0.057 0.000 1.014 390 G HN 0.217 nan 8.290 nan 0.000 0.541 391 P HA 0.182 nan 4.420 nan 0.000 0.275 391 P C -1.131 176.139 177.300 -0.050 0.000 1.228 391 P CA -0.291 62.815 63.100 0.010 0.000 0.786 391 P CB 1.426 33.140 31.700 0.022 0.000 0.927 392 N N 2.641 121.240 118.700 -0.168 0.000 2.478 392 N HA 0.063 4.799 4.740 -0.006 0.000 0.291 392 N C 0.867 176.265 175.510 -0.187 0.000 1.090 392 N CA -0.671 52.139 53.050 -0.401 0.000 0.911 392 N CB 1.119 39.108 38.487 -0.830 0.000 1.546 392 N HN 0.541 nan 8.380 nan 0.000 0.500 393 W N 4.261 125.435 121.300 -0.210 0.000 2.525 393 W HA 0.066 4.722 4.660 -0.007 0.000 0.259 393 W C -0.361 176.117 176.519 -0.069 0.000 1.253 393 W CA 0.264 57.545 57.345 -0.106 0.000 1.262 393 W CB -0.496 28.924 29.460 -0.067 0.000 1.122 393 W HN 0.225 nan 8.180 nan 0.000 0.607 394 V N 0.759 120.225 119.914 -0.746 0.000 2.743 394 V HA 0.279 4.395 4.120 -0.006 0.000 0.237 394 V C 0.607 176.533 176.094 -0.281 0.000 1.113 394 V CA 0.879 62.782 62.300 -0.663 0.000 1.141 394 V CB -0.191 31.177 31.823 -0.759 0.000 0.873 394 V HN 0.051 nan 8.190 nan 0.000 0.486 395 R N 0.490 120.848 120.500 -0.237 0.000 3.513 395 R HA 0.145 4.482 4.340 -0.006 0.000 0.243 395 R C -1.797 174.453 176.300 -0.084 0.000 1.033 395 R CA -0.553 55.501 56.100 -0.077 0.000 1.083 395 R CB 0.828 31.155 30.300 0.044 0.000 1.246 395 R HN 0.303 nan 8.270 nan 0.000 0.526 396 N N 4.301 122.943 118.700 -0.096 0.000 2.483 396 N HA 0.163 4.900 4.740 -0.006 0.000 0.264 396 N C 0.180 175.718 175.510 0.047 0.000 1.197 396 N CA 0.261 53.233 53.050 -0.130 0.000 0.927 396 N CB 0.116 38.570 38.487 -0.056 0.000 1.065 396 N HN 0.536 nan 8.380 nan 0.000 0.461 397 F N -1.547 118.410 119.950 0.012 0.000 3.031 397 F HA 0.286 4.810 4.527 -0.005 0.000 0.365 397 F C -0.132 175.690 175.800 0.037 0.000 1.128 397 F CA -0.747 57.269 58.000 0.026 0.000 1.068 397 F CB -0.148 38.868 39.000 0.028 0.000 1.280 397 F HN 0.157 nan 8.300 nan 0.000 0.529 398 V N -1.860 117.958 119.914 -0.161 0.000 3.001 398 V HA 0.636 4.752 4.120 -0.006 0.000 0.314 398 V C -0.981 175.075 176.094 -0.063 0.000 1.099 398 V CA -0.643 61.609 62.300 -0.080 0.000 0.989 398 V CB 2.073 33.822 31.823 -0.122 0.000 1.040 398 V HN 0.046 nan 8.190 nan 0.000 0.434 399 D N 0.632 121.011 120.400 -0.035 0.000 2.432 399 D HA 0.670 5.307 4.640 -0.006 0.000 0.258 399 D C -0.526 175.738 176.300 -0.061 0.000 1.146 399 D CA 0.134 54.100 54.000 -0.055 0.000 1.015 399 D CB 2.073 42.837 40.800 -0.059 0.000 1.107 399 D HN 0.927 nan 8.370 nan 0.000 0.529 400 S N -0.668 114.996 115.700 -0.058 0.000 2.541 400 S HA 0.458 4.924 4.470 -0.006 0.000 0.271 400 S C -2.305 172.306 174.600 0.018 0.000 1.133 400 S CA -1.253 56.932 58.200 -0.024 0.000 0.876 400 S CB 1.773 64.926 63.200 -0.079 0.000 1.105 400 S HN 0.093 nan 8.310 nan 0.000 0.470 401 P HA 0.161 nan 4.420 nan 0.000 0.220 401 P C -0.322 177.066 177.300 0.146 0.000 1.148 401 P CA 1.011 64.200 63.100 0.148 0.000 0.803 401 P CB 0.042 31.935 31.700 0.321 0.000 0.782 402 I N -0.034 120.612 120.570 0.126 0.000 2.418 402 I HA 0.236 4.402 4.170 -0.006 0.000 0.287 402 I C -0.484 175.661 176.117 0.047 0.000 1.008 402 I CA -0.928 60.402 61.300 0.049 0.000 1.104 402 I CB 1.974 39.934 38.000 -0.067 0.000 1.264 402 I HN -0.287 nan 8.210 nan 0.000 0.438 403 I N 7.261 127.880 120.570 0.082 0.000 2.339 403 I HA 0.332 4.498 4.170 -0.006 0.000 0.290 403 I C 0.003 176.154 176.117 0.058 0.000 0.994 403 I CA -0.749 60.595 61.300 0.074 0.000 1.191 403 I CB 1.735 39.803 38.000 0.114 0.000 1.343 403 I HN 0.120 nan 8.210 nan 0.000 0.458 404 V N 5.717 125.640 119.914 0.016 0.000 2.407 404 V HA 0.253 4.369 4.120 -0.006 0.000 0.278 404 V C 0.023 176.110 176.094 -0.012 0.000 1.037 404 V CA -0.476 61.820 62.300 -0.008 0.000 0.900 404 V CB 1.747 33.559 31.823 -0.018 0.000 0.983 404 V HN 0.607 nan 8.190 nan 0.000 0.459 405 D N 4.815 125.178 120.400 -0.061 0.000 2.479 405 D HA 0.181 4.818 4.640 -0.006 0.000 0.247 405 D C 1.086 177.384 176.300 -0.003 0.000 1.119 405 D CA -0.511 53.488 54.000 -0.002 0.000 0.922 405 D CB 0.894 41.717 40.800 0.038 0.000 1.014 405 D HN 0.436 nan 8.370 nan 0.000 0.510 406 I N 1.972 122.548 120.570 0.010 0.000 2.614 406 I HA -0.140 4.026 4.170 -0.006 0.000 0.258 406 I C 1.477 177.604 176.117 0.017 0.000 1.189 406 I CA 1.422 62.729 61.300 0.012 0.000 1.462 406 I CB -1.714 36.292 38.000 0.010 0.000 1.092 406 I HN 0.266 nan 8.210 nan 0.000 0.442 407 T N -0.843 113.726 114.554 0.026 0.000 3.035 407 T HA -0.033 4.313 4.350 -0.006 0.000 0.268 407 T C 1.532 176.249 174.700 0.029 0.000 1.109 407 T CA 0.874 62.992 62.100 0.029 0.000 1.119 407 T CB -0.331 68.560 68.868 0.038 0.000 0.900 407 T HN 0.504 nan 8.240 nan 0.000 0.503 408 K N 0.599 121.015 120.400 0.028 0.000 2.414 408 K HA 0.166 4.482 4.320 -0.006 0.000 0.204 408 K C 0.166 176.765 176.600 -0.001 0.000 1.026 408 K CA 0.134 56.435 56.287 0.023 0.000 1.108 408 K CB 0.341 32.870 32.500 0.047 0.000 0.855 408 K HN 0.114 nan 8.250 nan 0.000 0.517 409 D N 2.396 122.797 120.400 0.002 0.000 2.702 409 D HA -0.173 4.464 4.640 -0.006 0.000 0.233 409 D C -0.691 175.601 176.300 -0.014 0.000 1.164 409 D CA 1.340 55.344 54.000 0.007 0.000 0.638 409 D CB -0.735 40.074 40.800 0.015 0.000 1.041 409 D HN 0.408 nan 8.370 nan 0.000 0.422 410 T N -1.427 113.082 114.554 -0.075 0.000 2.908 410 T HA 0.722 5.068 4.350 -0.006 0.000 0.290 410 T C -0.281 174.251 174.700 -0.281 0.000 1.034 410 T CA -0.916 61.051 62.100 -0.222 0.000 1.010 410 T CB 1.460 70.153 68.868 -0.290 0.000 1.068 410 T HN 0.282 nan 8.240 nan 0.000 0.481 411 F N 0.185 119.868 119.950 -0.445 0.000 2.576 411 F HA 0.778 5.301 4.527 -0.006 0.000 0.313 411 F C -1.812 173.671 175.800 -0.527 0.000 1.078 411 F CA -1.758 55.947 58.000 -0.491 0.000 0.921 411 F CB 1.164 40.008 39.000 -0.261 0.000 1.232 411 F HN 0.575 nan 8.300 nan 0.000 0.459 412 Y N 1.722 122.086 120.300 0.107 0.000 2.331 412 Y HA 0.435 4.981 4.550 -0.006 0.000 0.338 412 Y C -0.200 175.724 175.900 0.040 0.000 0.976 412 Y CA -1.135 56.981 58.100 0.027 0.000 1.137 412 Y CB 1.694 40.160 38.460 0.009 0.000 1.172 412 Y HN 0.419 nan 8.280 nan 0.000 0.478 413 K N 4.751 125.230 120.400 0.133 0.000 2.267 413 K HA 0.200 4.516 4.320 -0.006 0.000 0.282 413 K C -0.311 176.428 176.600 0.232 0.000 1.078 413 K CA -0.548 55.726 56.287 -0.022 0.000 0.903 413 K CB 0.898 33.153 32.500 -0.409 0.000 1.111 413 K HN 0.637 nan 8.250 nan 0.000 0.475 414 Q N 2.325 122.250 119.800 0.209 0.000 2.368 414 Q HA 0.058 4.394 4.340 -0.006 0.000 0.237 414 Q C -1.671 174.561 176.000 0.387 0.000 0.987 414 Q CA -1.620 54.326 55.803 0.239 0.000 0.896 414 Q CB 0.389 29.195 28.738 0.114 0.000 1.241 414 Q HN 0.259 nan 8.270 nan 0.000 0.485 415 P HA -0.220 nan 4.420 nan 0.000 0.216 415 P C 1.284 178.763 177.300 0.300 0.000 1.154 415 P CA 1.736 65.081 63.100 0.407 0.000 0.865 415 P CB 0.057 31.902 31.700 0.243 0.000 0.789 416 M N -2.743 116.878 119.600 0.034 0.000 2.108 416 M HA -0.235 4.242 4.480 -0.006 0.000 0.257 416 M C 2.015 178.386 176.300 0.117 0.000 1.071 416 M CA 1.927 57.146 55.300 -0.136 0.000 1.093 416 M CB -0.955 31.331 32.600 -0.523 0.000 1.345 416 M HN -0.081 nan 8.290 nan 0.000 0.403 417 F N 0.027 119.994 119.950 0.027 0.000 2.095 417 F HA -0.293 4.230 4.527 -0.006 0.000 0.298 417 F C 1.838 177.583 175.800 -0.092 0.000 1.104 417 F CA 1.770 59.727 58.000 -0.072 0.000 1.232 417 F CB -0.386 38.416 39.000 -0.330 0.000 0.987 417 F HN 0.044 nan 8.300 nan 0.000 0.475 418 Y N -0.887 119.632 120.300 0.364 0.000 2.286 418 Y HA -0.143 4.403 4.550 -0.006 0.000 0.293 418 Y C 2.753 178.803 175.900 0.250 0.000 1.124 418 Y CA 1.547 59.819 58.100 0.287 0.000 1.178 418 Y CB -1.025 37.679 38.460 0.406 0.000 1.010 418 Y HN 0.153 nan 8.280 nan 0.000 0.536 419 H N -0.263 118.982 119.070 0.290 0.000 2.352 419 H HA -0.169 4.384 4.556 -0.006 0.000 0.299 419 H C 2.294 177.799 175.328 0.295 0.000 1.097 419 H CA 1.795 57.983 56.048 0.233 0.000 1.311 419 H CB -0.345 29.463 29.762 0.076 0.000 1.377 419 H HN 0.335 nan 8.280 nan 0.000 0.504 420 L N -0.045 121.367 121.223 0.315 0.000 2.012 420 L HA -0.134 4.203 4.340 -0.006 0.000 0.210 420 L C 2.834 179.742 176.870 0.063 0.000 1.073 420 L CA 1.295 56.264 54.840 0.215 0.000 0.748 420 L CB -0.536 41.681 42.059 0.262 0.000 0.891 420 L HN 0.302 nan 8.230 nan 0.000 0.431 421 G N -2.236 106.483 108.800 -0.136 0.000 2.443 421 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.219 421 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.219 421 G C 1.347 176.072 174.900 -0.291 0.000 1.131 421 G CA 0.245 45.148 45.100 -0.329 0.000 0.775 421 G HN 0.419 nan 8.290 nan 0.000 0.547 422 H N -0.539 118.462 119.070 -0.114 0.000 2.457 422 H HA -0.060 4.493 4.556 -0.006 0.000 0.297 422 H C 1.990 177.105 175.328 -0.354 0.000 1.092 422 H CA 1.323 57.282 56.048 -0.147 0.000 1.309 422 H CB 0.027 29.621 29.762 -0.281 0.000 1.382 422 H HN 0.489 nan 8.280 nan 0.000 0.535 423 F N 0.053 119.907 119.950 -0.160 0.000 2.298 423 F HA -0.084 4.440 4.527 -0.006 0.000 0.282 423 F C 2.899 178.216 175.800 -0.806 0.000 1.045 423 F CA 0.737 58.457 58.000 -0.467 0.000 1.280 423 F CB -0.548 38.042 39.000 -0.684 0.000 1.114 423 F HN 0.020 nan 8.300 nan 0.000 0.546 424 S N 0.364 115.641 115.700 -0.705 0.000 2.382 424 S HA -0.242 4.224 4.470 -0.006 0.000 0.228 424 S C 1.962 176.312 174.600 -0.417 0.000 1.027 424 S CA 1.406 59.236 58.200 -0.617 0.000 0.991 424 S CB -0.633 62.483 63.200 -0.140 0.000 0.823 424 S HN 0.348 nan 8.310 nan 0.000 0.469 425 K N 0.479 120.509 120.400 -0.616 0.000 2.097 425 K HA 0.050 4.366 4.320 -0.006 0.000 0.205 425 K C 0.876 176.968 176.600 -0.846 0.000 1.050 425 K CA 1.345 57.070 56.287 -0.937 0.000 0.938 425 K CB -0.177 31.317 32.500 -1.677 0.000 0.718 425 K HN 0.551 nan 8.250 nan 0.000 0.442 426 F N -0.146 119.630 119.950 -0.291 0.000 2.653 426 F HA 0.296 4.819 4.527 -0.006 0.000 0.304 426 F C 0.076 175.841 175.800 -0.059 0.000 1.092 426 F CA -0.483 57.407 58.000 -0.183 0.000 1.279 426 F CB 0.834 39.696 39.000 -0.231 0.000 1.044 426 F HN -0.164 nan 8.300 nan 0.000 0.564 427 I N 2.648 123.219 120.570 0.002 0.000 2.782 427 I HA 0.228 4.395 4.170 -0.006 0.000 0.279 427 I C -2.438 173.714 176.117 0.057 0.000 1.247 427 I CA -1.992 59.351 61.300 0.071 0.000 1.062 427 I CB 0.499 38.641 38.000 0.238 0.000 1.421 427 I HN -0.225 nan 8.210 nan 0.000 0.558 428 P HA -0.019 nan 4.420 nan 0.000 0.270 428 P C -0.008 177.282 177.300 -0.015 0.000 1.223 428 P CA -0.061 62.989 63.100 -0.082 0.000 0.785 428 P CB 0.805 32.387 31.700 -0.197 0.000 0.923 429 E N 0.231 120.428 120.200 -0.005 0.000 2.502 429 E HA 0.143 4.490 4.350 -0.006 0.000 0.261 429 E C 1.142 177.736 176.600 -0.011 0.000 0.974 429 E CA 1.010 57.402 56.400 -0.014 0.000 0.936 429 E CB -0.615 29.058 29.700 -0.045 0.000 0.926 429 E HN 0.779 nan 8.360 nan 0.000 0.459 430 G N 2.890 111.694 108.800 0.006 0.000 2.176 430 G HA2 -0.281 3.676 3.960 -0.006 0.000 0.253 430 G HA3 -0.281 3.676 3.960 -0.006 0.000 0.253 430 G C 0.229 175.150 174.900 0.036 0.000 0.979 430 G CA 0.214 45.327 45.100 0.020 0.000 0.641 430 G HN 0.581 nan 8.290 nan 0.000 0.530 431 S N 0.112 115.835 115.700 0.039 0.000 2.568 431 S HA 0.459 4.925 4.470 -0.006 0.000 0.282 431 S C 0.223 174.879 174.600 0.093 0.000 1.338 431 S CA 0.343 58.588 58.200 0.074 0.000 1.045 431 S CB 1.558 64.816 63.200 0.098 0.000 0.873 431 S HN 0.642 nan 8.310 nan 0.000 0.516 432 Q N 1.476 121.336 119.800 0.100 0.000 2.337 432 Q HA 0.362 4.698 4.340 -0.006 0.000 0.266 432 Q C -0.518 175.561 176.000 0.132 0.000 1.023 432 Q CA -0.806 55.061 55.803 0.107 0.000 0.829 432 Q CB 1.144 29.932 28.738 0.083 0.000 1.306 432 Q HN 0.579 nan 8.270 nan 0.000 0.449 433 R N 2.324 122.926 120.500 0.169 0.000 2.491 433 R HA 0.325 4.662 4.340 -0.006 0.000 0.283 433 R C -0.499 175.997 176.300 0.327 0.000 1.072 433 R CA 0.065 56.286 56.100 0.200 0.000 1.048 433 R CB 0.515 30.906 30.300 0.151 0.000 0.983 433 R HN 0.528 nan 8.270 nan 0.000 0.450 434 V N 0.607 120.687 119.914 0.278 0.000 3.158 434 V HA 0.738 4.855 4.120 -0.006 0.000 0.311 434 V C 0.207 176.500 176.094 0.331 0.000 1.181 434 V CA -0.801 61.675 62.300 0.292 0.000 1.054 434 V CB 1.372 33.264 31.823 0.116 0.000 1.085 434 V HN 0.827 nan 8.190 nan 0.000 0.446 435 G N 0.222 109.208 108.800 0.310 0.000 2.491 435 G HA2 0.518 4.474 3.960 -0.006 0.000 0.242 435 G HA3 0.518 4.474 3.960 -0.006 0.000 0.242 435 G C -1.056 173.924 174.900 0.132 0.000 1.266 435 G CA -0.033 45.225 45.100 0.263 0.000 0.844 435 G HN 1.301 nan 8.290 nan 0.000 0.571 436 L N 2.468 123.744 121.223 0.088 0.000 2.596 436 L HA 0.464 4.801 4.340 -0.006 0.000 0.265 436 L C -0.810 176.086 176.870 0.042 0.000 0.962 436 L CA -0.485 54.391 54.840 0.060 0.000 0.891 436 L CB 2.168 44.258 42.059 0.051 0.000 1.248 436 L HN 0.341 nan 8.230 nan 0.000 0.410 437 V N 4.267 124.207 119.914 0.043 0.000 2.398 437 V HA 0.809 4.926 4.120 -0.006 0.000 0.286 437 V C 0.540 176.653 176.094 0.033 0.000 1.026 437 V CA -0.313 62.010 62.300 0.038 0.000 0.868 437 V CB 1.520 33.369 31.823 0.044 0.000 0.982 437 V HN 0.901 nan 8.190 nan 0.000 0.443 438 A N 3.372 126.209 122.820 0.029 0.000 2.320 438 A HA 0.489 4.806 4.320 -0.006 0.000 0.287 438 A C 1.258 178.862 177.584 0.033 0.000 1.181 438 A CA 0.233 52.287 52.037 0.029 0.000 0.831 438 A CB 0.676 19.691 19.000 0.026 0.000 1.102 438 A HN 1.141 nan 8.150 nan 0.000 0.513 439 S N 1.430 117.153 115.700 0.038 0.000 2.515 439 S HA 0.053 4.520 4.470 -0.006 0.000 0.231 439 S C 0.541 175.161 174.600 0.033 0.000 0.987 439 S CA 0.863 59.088 58.200 0.042 0.000 0.936 439 S CB -0.454 62.780 63.200 0.056 0.000 0.766 439 S HN 1.005 nan 8.310 nan 0.000 0.528 440 Q N -0.745 119.072 119.800 0.029 0.000 2.702 440 Q HA 0.394 4.731 4.340 -0.006 0.000 0.289 440 Q C -1.490 174.524 176.000 0.024 0.000 0.923 440 Q CA -1.185 54.632 55.803 0.024 0.000 0.787 440 Q CB 0.741 29.491 28.738 0.020 0.000 1.476 440 Q HN 0.052 nan 8.270 nan 0.000 0.402 441 K N 1.186 121.600 120.400 0.023 0.000 2.489 441 K HA 0.062 4.379 4.320 -0.006 0.000 0.278 441 K C -0.866 175.748 176.600 0.023 0.000 1.000 441 K CA 1.003 57.305 56.287 0.025 0.000 1.012 441 K CB 0.150 32.664 32.500 0.024 0.000 0.903 441 K HN 0.792 nan 8.250 nan 0.000 0.485 442 N N 0.939 119.655 118.700 0.027 0.000 2.934 442 N HA 0.182 4.918 4.740 -0.006 0.000 0.253 442 N C -1.069 174.460 175.510 0.031 0.000 1.466 442 N CA -0.794 52.270 53.050 0.024 0.000 0.858 442 N CB 0.975 39.475 38.487 0.022 0.000 1.459 442 N HN 0.255 nan 8.380 nan 0.000 0.532 443 D N -0.511 119.905 120.400 0.026 0.000 2.369 443 D HA 0.259 4.896 4.640 -0.006 0.000 0.211 443 D C 0.025 176.354 176.300 0.048 0.000 1.077 443 D CA 0.123 54.143 54.000 0.032 0.000 0.842 443 D CB 0.118 40.927 40.800 0.014 0.000 0.947 443 D HN 0.384 nan 8.370 nan 0.000 0.509 444 L N 0.514 121.765 121.223 0.047 0.000 2.454 444 L HA 0.332 4.669 4.340 -0.006 0.000 0.256 444 L C 0.330 177.255 176.870 0.091 0.000 1.136 444 L CA -0.407 54.470 54.840 0.062 0.000 0.804 444 L CB 0.816 42.898 42.059 0.040 0.000 1.181 444 L HN -0.247 nan 8.230 nan 0.000 0.469 445 D N 0.772 121.240 120.400 0.114 0.000 2.505 445 D HA 0.652 5.289 4.640 -0.006 0.000 0.249 445 D C -0.869 175.494 176.300 0.104 0.000 1.082 445 D CA -0.155 53.918 54.000 0.121 0.000 0.839 445 D CB 2.430 43.340 40.800 0.184 0.000 1.317 445 D HN 0.600 nan 8.370 nan 0.000 0.497 446 A N 1.249 124.117 122.820 0.080 0.000 2.572 446 A HA 0.721 5.037 4.320 -0.006 0.000 0.295 446 A C -1.535 176.090 177.584 0.067 0.000 1.072 446 A CA -0.768 51.317 52.037 0.081 0.000 0.691 446 A CB 2.272 21.311 19.000 0.065 0.000 1.291 446 A HN 0.347 nan 8.150 nan 0.000 0.404 447 V N 0.233 120.199 119.914 0.087 0.000 2.891 447 V HA 0.809 4.925 4.120 -0.006 0.000 0.304 447 V C -0.643 175.498 176.094 0.078 0.000 1.171 447 V CA 0.237 62.580 62.300 0.072 0.000 0.943 447 V CB 1.818 33.703 31.823 0.103 0.000 1.037 447 V HN 2.144 nan 8.190 nan 0.000 0.427 448 A N 6.269 129.124 122.820 0.059 0.000 2.350 448 A HA 1.012 5.329 4.320 -0.006 0.000 0.324 448 A C -1.491 176.126 177.584 0.055 0.000 1.118 448 A CA -0.542 51.522 52.037 0.045 0.000 0.783 448 A CB 1.474 20.503 19.000 0.049 0.000 1.236 448 A HN 0.953 nan 8.150 nan 0.000 0.457 449 L N 0.768 122.009 121.223 0.029 0.000 2.409 449 L HA 0.679 5.016 4.340 -0.006 0.000 0.255 449 L C -0.369 176.508 176.870 0.011 0.000 1.027 449 L CA -0.266 54.614 54.840 0.066 0.000 0.834 449 L CB 2.190 44.325 42.059 0.127 0.000 1.426 449 L HN 0.817 nan 8.230 nan 0.000 0.411 450 M N 0.678 120.307 119.600 0.049 0.000 2.181 450 M HA 0.461 4.938 4.480 -0.006 0.000 0.323 450 M C -0.610 175.767 176.300 0.128 0.000 1.004 450 M CA -0.231 55.079 55.300 0.017 0.000 0.941 450 M CB 1.020 33.621 32.600 0.001 0.000 1.579 450 M HN 0.553 nan 8.290 nan 0.000 0.427 451 H N 4.527 123.569 119.070 -0.047 0.000 2.895 451 H HA 0.027 4.580 4.556 -0.006 0.000 0.371 451 H C -1.730 173.595 175.328 -0.005 0.000 1.219 451 H CA -1.117 54.920 56.048 -0.018 0.000 1.431 451 H CB 0.217 29.962 29.762 -0.029 0.000 1.414 451 H HN 0.536 nan 8.280 nan 0.000 0.617 452 P HA -0.189 nan 4.420 nan 0.000 0.217 452 P C 0.828 178.169 177.300 0.068 0.000 1.148 452 P CA 1.613 64.754 63.100 0.068 0.000 0.828 452 P CB 0.056 31.780 31.700 0.041 0.000 0.783 453 D N -2.187 118.270 120.400 0.094 0.000 2.340 453 D HA 0.080 4.716 4.640 -0.006 0.000 0.220 453 D C 1.432 177.746 176.300 0.024 0.000 1.039 453 D CA 0.695 54.734 54.000 0.064 0.000 0.866 453 D CB -0.776 40.080 40.800 0.093 0.000 0.913 453 D HN 0.240 nan 8.370 nan 0.000 0.523 454 G N -0.047 108.767 108.800 0.024 0.000 2.194 454 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.236 454 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.236 454 G C 0.443 175.294 174.900 -0.081 0.000 0.987 454 G CA 0.286 45.375 45.100 -0.018 0.000 0.635 454 G HN 0.783 nan 8.290 nan 0.000 0.520 455 S N 0.112 115.735 115.700 -0.128 0.000 2.600 455 S HA 0.768 5.235 4.470 -0.006 0.000 0.265 455 S C 0.436 174.759 174.600 -0.461 0.000 1.325 455 S CA 0.457 58.494 58.200 -0.272 0.000 1.002 455 S CB 1.996 65.035 63.200 -0.268 0.000 0.921 455 S HN 1.896 nan 8.310 nan 0.000 0.554 456 A N 0.485 122.870 122.820 -0.726 0.000 2.312 456 A HA 0.733 5.049 4.320 -0.006 0.000 0.326 456 A C -0.526 176.511 177.584 -0.911 0.000 1.172 456 A CA -0.839 50.624 52.037 -0.957 0.000 0.821 456 A CB 1.073 19.029 19.000 -1.740 0.000 1.166 456 A HN 1.443 nan 8.150 nan 0.000 0.493 457 V N 3.545 123.116 119.914 -0.572 0.000 2.623 457 V HA 0.656 4.772 4.120 -0.006 0.000 0.304 457 V C -1.346 174.647 176.094 -0.168 0.000 1.054 457 V CA -0.341 61.769 62.300 -0.317 0.000 0.882 457 V CB 1.719 33.491 31.823 -0.084 0.000 1.002 457 V HN 0.775 nan 8.190 nan 0.000 0.424 458 V N 6.879 126.768 119.914 -0.042 0.000 2.588 458 V HA 0.584 4.701 4.120 -0.006 0.000 0.304 458 V C -0.409 175.766 176.094 0.134 0.000 1.042 458 V CA -0.594 61.762 62.300 0.094 0.000 0.877 458 V CB 2.089 34.039 31.823 0.212 0.000 0.996 458 V HN 0.719 nan 8.190 nan 0.000 0.425 459 V N 5.165 125.116 119.914 0.062 0.000 2.435 459 V HA 0.601 4.718 4.120 -0.006 0.000 0.290 459 V C -0.340 175.794 176.094 0.067 0.000 1.030 459 V CA -0.605 61.682 62.300 -0.021 0.000 0.881 459 V CB 1.805 33.446 31.823 -0.303 0.000 0.983 459 V HN 0.596 nan 8.190 nan 0.000 0.445 460 V N 5.942 125.911 119.914 0.090 0.000 2.483 460 V HA 0.501 4.618 4.120 -0.006 0.000 0.297 460 V C -0.654 175.465 176.094 0.041 0.000 1.027 460 V CA -0.522 61.835 62.300 0.095 0.000 0.855 460 V CB 1.718 33.627 31.823 0.144 0.000 0.995 460 V HN 0.694 nan 8.190 nan 0.000 0.424 461 L N 4.584 125.852 121.223 0.075 0.000 2.313 461 L HA 0.677 5.014 4.340 -0.006 0.000 0.283 461 L C -0.406 176.529 176.870 0.109 0.000 1.013 461 L CA 0.027 54.934 54.840 0.110 0.000 0.816 461 L CB 1.665 43.840 42.059 0.194 0.000 1.236 461 L HN 0.617 nan 8.230 nan 0.000 0.419 462 N N 3.986 122.750 118.700 0.108 0.000 2.558 462 N HA 0.321 5.057 4.740 -0.006 0.000 0.242 462 N C 0.136 175.729 175.510 0.139 0.000 0.979 462 N CA -0.261 52.835 53.050 0.076 0.000 0.931 462 N CB 0.839 39.324 38.487 -0.004 0.000 1.122 462 N HN 0.666 nan 8.380 nan 0.000 0.508 463 R N 0.476 121.060 120.500 0.141 0.000 2.320 463 R HA 0.069 4.406 4.340 -0.006 0.000 0.211 463 R C 0.661 176.997 176.300 0.060 0.000 0.931 463 R CA -0.042 56.177 56.100 0.198 0.000 1.071 463 R CB 0.083 30.483 30.300 0.166 0.000 1.025 463 R HN 0.516 nan 8.270 nan 0.000 0.495 464 S N -0.405 115.228 115.700 -0.111 0.000 2.672 464 S HA 0.101 4.567 4.470 -0.006 0.000 0.276 464 S C 1.261 175.443 174.600 -0.696 0.000 1.207 464 S CA -0.455 57.597 58.200 -0.245 0.000 1.002 464 S CB 1.845 64.972 63.200 -0.121 0.000 0.998 464 S HN 0.151 nan 8.310 nan 0.000 0.542 465 S N 0.112 115.463 115.700 -0.582 0.000 2.527 465 S HA 0.148 4.614 4.470 -0.006 0.000 0.222 465 S C 0.566 174.997 174.600 -0.281 0.000 0.985 465 S CA 0.050 57.896 58.200 -0.590 0.000 0.921 465 S CB -0.358 62.772 63.200 -0.116 0.000 0.772 465 S HN 0.686 nan 8.310 nan 0.000 0.529 466 K N 1.868 122.149 120.400 -0.200 0.000 2.159 466 K HA 0.248 4.565 4.320 -0.006 0.000 0.266 466 K C -1.322 175.222 176.600 -0.094 0.000 0.975 466 K CA -0.570 55.654 56.287 -0.105 0.000 0.865 466 K CB 0.859 33.320 32.500 -0.065 0.000 1.087 466 K HN 0.125 nan 8.250 nan 0.000 0.446 467 D N 1.789 122.153 120.400 -0.060 0.000 2.455 467 D HA 0.048 4.685 4.640 -0.006 0.000 0.241 467 D C -0.518 175.761 176.300 -0.035 0.000 1.138 467 D CA 0.111 54.086 54.000 -0.042 0.000 0.877 467 D CB 0.916 41.705 40.800 -0.019 0.000 1.187 467 D HN 0.041 nan 8.370 nan 0.000 0.451 468 V N 4.899 124.793 119.914 -0.034 0.000 2.349 468 V HA 0.263 4.380 4.120 -0.006 0.000 0.284 468 V C -2.157 173.927 176.094 -0.016 0.000 1.014 468 V CA -1.634 60.651 62.300 -0.025 0.000 0.826 468 V CB 1.572 33.379 31.823 -0.027 0.000 1.009 468 V HN 0.439 nan 8.190 nan 0.000 0.431 469 P HA 0.308 nan 4.420 nan 0.000 0.268 469 P C -0.907 176.390 177.300 -0.006 0.000 1.205 469 P CA -0.163 62.936 63.100 -0.001 0.000 0.771 469 P CB 1.658 33.359 31.700 0.001 0.000 0.858 470 L N 2.765 123.979 121.223 -0.014 0.000 2.482 470 L HA 0.533 4.869 4.340 -0.006 0.000 0.263 470 L C -1.019 175.813 176.870 -0.062 0.000 0.957 470 L CA -0.019 54.799 54.840 -0.036 0.000 0.836 470 L CB 2.264 44.288 42.059 -0.058 0.000 1.324 470 L HN 0.266 nan 8.230 nan 0.000 0.406 471 T N 5.538 120.062 114.554 -0.050 0.000 2.829 471 T HA 0.674 5.020 4.350 -0.006 0.000 0.280 471 T C -0.350 174.263 174.700 -0.146 0.000 0.999 471 T CA -0.196 61.846 62.100 -0.097 0.000 0.983 471 T CB 1.235 70.078 68.868 -0.042 0.000 0.968 471 T HN 0.451 nan 8.240 nan 0.000 0.446 472 I N 2.682 123.098 120.570 -0.258 0.000 2.362 472 I HA 0.407 4.573 4.170 -0.006 0.000 0.289 472 I C 0.174 176.104 176.117 -0.313 0.000 0.994 472 I CA -0.804 60.329 61.300 -0.278 0.000 1.158 472 I CB 1.529 39.278 38.000 -0.420 0.000 1.315 472 I HN 0.326 nan 8.210 nan 0.000 0.451 473 K N 5.548 125.803 120.400 -0.242 0.000 2.240 473 K HA 0.217 4.533 4.320 -0.006 0.000 0.271 473 K C -1.073 175.354 176.600 -0.289 0.000 1.018 473 K CA -0.490 55.550 56.287 -0.412 0.000 0.874 473 K CB 1.119 33.384 32.500 -0.392 0.000 1.098 473 K HN 0.483 nan 8.250 nan 0.000 0.458 474 D N 6.103 126.300 120.400 -0.339 0.000 2.349 474 D HA 0.212 4.849 4.640 -0.006 0.000 0.232 474 D C -1.846 174.345 176.300 -0.182 0.000 1.071 474 D CA -2.442 51.495 54.000 -0.104 0.000 0.832 474 D CB 1.939 42.798 40.800 0.099 0.000 1.086 474 D HN 0.276 nan 8.370 nan 0.000 0.504 475 P HA -0.139 nan 4.420 nan 0.000 0.217 475 P C 0.805 178.061 177.300 -0.074 0.000 1.151 475 P CA 1.317 64.353 63.100 -0.107 0.000 0.849 475 P CB 0.236 31.910 31.700 -0.043 0.000 0.787 476 A N -1.839 120.967 122.820 -0.022 0.000 2.208 476 A HA 0.079 4.396 4.320 -0.006 0.000 0.209 476 A C 1.853 179.436 177.584 -0.002 0.000 1.161 476 A CA 1.110 53.150 52.037 0.005 0.000 0.782 476 A CB -0.544 18.482 19.000 0.043 0.000 0.816 476 A HN 0.112 nan 8.150 nan 0.000 0.477 477 V N -2.886 116.999 119.914 -0.049 0.000 3.141 477 V HA 0.518 4.634 4.120 -0.006 0.000 0.225 477 V C 1.150 177.156 176.094 -0.147 0.000 1.352 477 V CA 0.654 62.918 62.300 -0.060 0.000 1.316 477 V CB -0.112 31.700 31.823 -0.020 0.000 1.126 477 V HN 0.978 nan 8.190 nan 0.000 0.493 478 G N 0.327 108.948 108.800 -0.299 0.000 2.250 478 G HA2 0.069 4.026 3.960 -0.006 0.000 0.252 478 G HA3 0.069 4.026 3.960 -0.006 0.000 0.252 478 G C -1.591 172.918 174.900 -0.652 0.000 1.325 478 G CA -0.596 44.252 45.100 -0.419 0.000 1.091 478 G HN 0.084 nan 8.290 nan 0.000 0.476 479 F N 0.524 120.343 119.950 -0.219 0.000 2.467 479 F HA 0.710 5.233 4.527 -0.006 0.000 0.336 479 F C 0.399 176.022 175.800 -0.294 0.000 1.123 479 F CA -0.642 57.178 58.000 -0.301 0.000 0.964 479 F CB 2.134 40.939 39.000 -0.326 0.000 1.136 479 F HN 0.430 nan 8.300 nan 0.000 0.447 480 L N 4.466 125.538 121.223 -0.252 0.000 2.276 480 L HA 0.480 4.817 4.340 -0.006 0.000 0.286 480 L C -0.675 176.016 176.870 -0.299 0.000 1.024 480 L CA -0.418 54.202 54.840 -0.367 0.000 0.826 480 L CB 0.545 42.141 42.059 -0.773 0.000 1.211 480 L HN 0.516 nan 8.230 nan 0.000 0.422 481 E N 3.663 123.782 120.200 -0.134 0.000 2.174 481 E HA 0.383 4.729 4.350 -0.006 0.000 0.282 481 E C -0.587 175.980 176.600 -0.054 0.000 0.992 481 E CA -0.043 56.312 56.400 -0.074 0.000 0.803 481 E CB 2.113 31.815 29.700 0.003 0.000 1.090 481 E HN 0.606 nan 8.360 nan 0.000 0.396 482 T N 2.003 116.519 114.554 -0.062 0.000 2.671 482 T HA 0.680 5.026 4.350 -0.006 0.000 0.300 482 T C -1.399 173.325 174.700 0.040 0.000 1.238 482 T CA -0.506 61.602 62.100 0.013 0.000 1.020 482 T CB 0.929 69.784 68.868 -0.021 0.000 1.503 482 T HN 0.338 nan 8.240 nan 0.000 0.497 483 I N 1.759 122.392 120.570 0.106 0.000 2.569 483 I HA 0.430 4.596 4.170 -0.006 0.000 0.290 483 I C -0.463 175.691 176.117 0.062 0.000 1.088 483 I CA -0.884 60.456 61.300 0.067 0.000 1.047 483 I CB 2.298 40.337 38.000 0.065 0.000 1.237 483 I HN 0.520 nan 8.210 nan 0.000 0.421 484 S N 7.415 123.090 115.700 -0.042 0.000 2.415 484 S HA 0.486 4.953 4.470 -0.006 0.000 0.313 484 S C -2.457 172.075 174.600 -0.113 0.000 1.067 484 S CA -1.509 56.576 58.200 -0.191 0.000 1.099 484 S CB 0.319 63.425 63.200 -0.157 0.000 0.991 484 S HN 0.208 nan 8.310 nan 0.000 0.491 485 P HA 0.177 nan 4.420 nan 0.000 0.269 485 P C 0.462 177.731 177.300 -0.051 0.000 1.215 485 P CA -0.044 63.041 63.100 -0.026 0.000 0.780 485 P CB 0.251 31.971 31.700 0.033 0.000 0.898 486 G N 1.663 110.416 108.800 -0.079 0.000 2.368 486 G HA2 -0.076 3.880 3.960 -0.006 0.000 0.233 486 G HA3 -0.076 3.880 3.960 -0.006 0.000 0.233 486 G C -0.611 174.241 174.900 -0.080 0.000 1.267 486 G CA -0.108 44.876 45.100 -0.193 0.000 0.873 486 G HN 0.574 nan 8.290 nan 0.000 0.539 487 Y N -0.136 120.223 120.300 0.097 0.000 3.001 487 Y HA -0.233 4.313 4.550 -0.006 0.000 0.199 487 Y C 1.261 177.269 175.900 0.180 0.000 1.320 487 Y CA 0.632 58.848 58.100 0.193 0.000 0.974 487 Y CB -1.868 36.547 38.460 -0.075 0.000 1.291 487 Y HN 0.949 nan 8.280 nan 0.000 0.465 488 S N -0.058 115.864 115.700 0.370 0.000 2.661 488 S HA 0.900 5.367 4.470 -0.006 0.000 0.285 488 S C -0.815 173.956 174.600 0.284 0.000 1.138 488 S CA -0.888 57.513 58.200 0.335 0.000 0.855 488 S CB 3.264 66.539 63.200 0.126 0.000 1.136 488 S HN 0.492 nan 8.310 nan 0.000 0.484 489 I N 0.697 121.367 120.570 0.168 0.000 2.619 489 I HA 0.547 4.713 4.170 -0.006 0.000 0.292 489 I C -1.512 174.553 176.117 -0.086 0.000 1.100 489 I CA -0.554 60.674 61.300 -0.120 0.000 1.043 489 I CB 1.805 39.524 38.000 -0.468 0.000 1.239 489 I HN 0.914 nan 8.210 nan 0.000 0.420 490 H N 4.235 123.165 119.070 -0.233 0.000 2.622 490 H HA 0.485 5.037 4.556 -0.006 0.000 0.363 490 H C -1.088 174.140 175.328 -0.167 0.000 1.151 490 H CA -1.004 54.931 56.048 -0.187 0.000 1.184 490 H CB 2.364 32.010 29.762 -0.194 0.000 1.643 490 H HN 0.425 nan 8.280 nan 0.000 0.531 491 T N 3.002 117.534 114.554 -0.036 0.000 2.809 491 T HA 0.243 4.589 4.350 -0.006 0.000 0.284 491 T C -0.973 173.535 174.700 -0.321 0.000 0.992 491 T CA -0.671 61.342 62.100 -0.144 0.000 0.957 491 T CB 0.277 68.995 68.868 -0.249 0.000 0.942 491 T HN 0.297 nan 8.240 nan 0.000 0.439 492 Y N 2.538 122.842 120.300 0.008 0.000 2.342 492 Y HA 0.667 5.214 4.550 -0.006 0.000 0.334 492 Y C -0.148 175.790 175.900 0.064 0.000 1.067 492 Y CA -1.176 56.989 58.100 0.108 0.000 1.128 492 Y CB 1.010 39.599 38.460 0.216 0.000 1.200 492 Y HN 0.414 nan 8.280 nan 0.000 0.464 493 L N 3.339 124.717 121.223 0.258 0.000 2.386 493 L HA 0.594 4.931 4.340 -0.006 0.000 0.271 493 L C -1.345 175.717 176.870 0.319 0.000 0.993 493 L CA -0.560 54.313 54.840 0.054 0.000 0.819 493 L CB 1.555 43.558 42.059 -0.094 0.000 1.294 493 L HN 0.763 nan 8.230 nan 0.000 0.414 494 W N 0.649 121.955 121.300 0.010 0.000 3.372 494 W HA 0.569 5.226 4.660 -0.006 0.000 0.315 494 W C -1.037 175.552 176.519 0.116 0.000 1.223 494 W CA -0.789 56.588 57.345 0.054 0.000 1.202 494 W CB 0.257 29.770 29.460 0.088 0.000 1.367 494 W HN 0.333 nan 8.180 nan 0.000 0.531 495 H N 2.305 121.480 119.070 0.174 0.000 2.897 495 H HA 0.261 4.813 4.556 -0.006 0.000 0.347 495 H C 0.950 176.409 175.328 0.219 0.000 1.068 495 H CA 0.026 56.145 56.048 0.118 0.000 1.426 495 H CB 1.139 30.980 29.762 0.132 0.000 1.410 495 H HN 0.543 nan 8.280 nan 0.000 0.597 496 R N 1.007 121.641 120.500 0.223 0.000 2.373 496 R HA 0.173 4.509 4.340 -0.006 0.000 0.221 496 R C 0.235 176.619 176.300 0.140 0.000 0.893 496 R CA 0.092 56.315 56.100 0.205 0.000 1.049 496 R CB 0.896 31.257 30.300 0.102 0.000 1.119 496 R HN 0.603 nan 8.270 nan 0.000 0.535 497 Q N 0.000 119.870 119.800 0.117 0.000 2.315 497 Q HA 0.000 4.336 4.340 -0.006 0.000 0.214 497 Q CA 0.000 55.853 55.803 0.083 0.000 1.022 497 Q CB 0.000 28.761 28.738 0.038 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481