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 2zq0_1_A DATA FIRST_RESID 21 DATA SEQUENCE MQQKLTSPDN NLVMTFQVDS KGAPTYELTY KNKVVIKPST LGLELKKEDN DATA SEQUENCE XXXXXXXXXX XXXXKLDSKT NLYDGFEVKD TQTATFDETW QPVWGEEKEI DATA SEQUENCE RNHYNELAVT LYQPMNDRSI VIRFRLFNDG LGFRYEFPQQ KSLNYFVIKE DATA SEQUENCE EHSQFGMNGD HIAFWIPGDY DTQEYDYTIS RLSEIRGLMK EAITPNSSQT DATA SEQUENCE PFSQTGVQTA LMMKTDDGLY INLHEAALVD YSCMHLNLDD KNMVFESWLT DATA SEQUENCE PDAKGDKGYM QTPCNTPWRT IIVSDDARNI LASRITLNLN EPCKIADAAS DATA SEQUENCE WVKPVKYIGV WWDMITGKGS WAYTDELTSV KLGETDYSKT KPNGKHSANT DATA SEQUENCE ANVKRYIDFA AAHGFDAVLV EGWNEGWEDW FGNSKDYVFD FVTPYPDFDV DATA SEQUENCE KEIHRYAARK GIKMMMHHET SASVRNYERH MDKAYQFMAD NGYNSVKSGY DATA SEQUENCE VGNIIPRGEH HYGQWMNNHY LYAVKKAADY KIMVNAHEAT RPTGICRTYP DATA SEQUENCE NLIGNESARG TEYESFGGNK VYHTTILPFT RLVGGPMDYT PGIFETHCNK DATA SEQUENCE MNPANNSQVR STIARQLALY VTMYSPLQMA ADIPENYERF MDAFQFIKDV DATA SEQUENCE ALDWDETNYL EAEPGEYITI ARKAKDTDDW YVGCTAGENG HTSKLVFDFL DATA SEQUENCE TPGKQYIATV YADAKDADWK ENPQAYTIKK GILTNKSKLN LHAANGGGYA DATA SEQUENCE ISIKEVKDKS EAKGLKRL 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 21 M HA 0.000 nan 4.480 nan 0.000 0.227 21 M C 0.000 176.317 176.300 0.028 0.000 1.140 21 M CA 0.000 55.314 55.300 0.024 0.000 0.988 21 M CB 0.000 32.604 32.600 0.007 0.000 1.302 22 Q N 3.146 122.954 119.800 0.013 0.000 2.352 22 Q HA 0.373 4.713 4.340 0.000 0.000 0.260 22 Q C -0.849 175.180 176.000 0.048 0.000 0.976 22 Q CA -0.059 55.752 55.803 0.013 0.000 0.881 22 Q CB 0.871 29.604 28.738 -0.008 0.000 1.235 22 Q HN 0.245 nan 8.270 nan 0.000 0.419 23 Q N 1.893 121.747 119.800 0.089 0.000 2.282 23 Q HA 0.423 4.763 4.340 0.000 0.000 0.260 23 Q C -0.914 175.112 176.000 0.044 0.000 0.964 23 Q CA -0.262 55.595 55.803 0.089 0.000 0.880 23 Q CB 1.913 30.742 28.738 0.153 0.000 1.286 23 Q HN 0.395 nan 8.270 nan 0.000 0.445 24 K N 1.774 122.185 120.400 0.019 0.000 2.397 24 K HA 0.556 4.876 4.320 0.000 0.000 0.253 24 K C -1.102 175.495 176.600 -0.006 0.000 0.932 24 K CA -0.877 55.411 56.287 0.002 0.000 0.795 24 K CB 1.985 34.490 32.500 0.008 0.000 1.159 24 K HN 0.289 nan 8.250 nan 0.000 0.424 25 L N 1.555 122.767 121.223 -0.019 0.000 2.365 25 L HA 0.520 4.860 4.340 0.000 0.000 0.273 25 L C -1.095 175.780 176.870 0.009 0.000 1.000 25 L CA 0.138 54.972 54.840 -0.009 0.000 0.819 25 L CB 2.261 44.303 42.059 -0.029 0.000 1.284 25 L HN 0.558 nan 8.230 nan 0.000 0.418 26 T N 2.149 116.712 114.554 0.015 0.000 2.887 26 T HA 0.545 4.895 4.350 0.000 0.000 0.288 26 T C -0.313 174.396 174.700 0.016 0.000 1.021 26 T CA -0.438 61.674 62.100 0.021 0.000 1.000 26 T CB 1.494 70.371 68.868 0.015 0.000 1.034 26 T HN 0.790 nan 8.240 nan 0.000 0.467 27 S N 2.335 118.053 115.700 0.028 0.000 2.589 27 S HA 0.198 4.668 4.470 0.000 0.000 0.265 27 S C -1.865 172.719 174.600 -0.027 0.000 1.342 27 S CA -0.931 57.276 58.200 0.012 0.000 1.005 27 S CB 0.323 63.562 63.200 0.066 0.000 0.909 27 S HN 0.343 nan 8.310 nan 0.000 0.555 28 P HA -0.124 nan 4.420 nan 0.000 0.216 28 P C 0.653 177.942 177.300 -0.019 0.000 1.150 28 P CA 1.576 64.603 63.100 -0.120 0.000 0.843 28 P CB -0.155 31.302 31.700 -0.406 0.000 0.787 29 D N -2.860 117.542 120.400 0.002 0.000 2.339 29 D HA -0.025 4.615 4.640 0.000 0.000 0.217 29 D C 0.391 176.700 176.300 0.015 0.000 1.050 29 D CA -0.111 53.904 54.000 0.025 0.000 0.856 29 D CB -1.059 39.767 40.800 0.043 0.000 0.922 29 D HN -0.009 nan 8.370 nan 0.000 0.518 30 N N -0.043 118.664 118.700 0.011 0.000 2.936 30 N HA -0.235 4.505 4.740 0.000 0.000 0.236 30 N C 0.378 175.885 175.510 -0.005 0.000 0.930 30 N CA 1.065 54.119 53.050 0.006 0.000 0.966 30 N CB -1.905 36.583 38.487 0.001 0.000 1.090 30 N HN 0.493 nan 8.380 nan 0.000 0.592 31 N N -0.130 118.566 118.700 -0.006 0.000 2.270 31 N HA -0.012 4.728 4.740 0.000 0.000 0.181 31 N C -0.131 175.367 175.510 -0.020 0.000 1.016 31 N CA 0.663 53.675 53.050 -0.065 0.000 0.870 31 N CB 0.138 38.567 38.487 -0.097 0.000 0.979 31 N HN 0.102 nan 8.380 nan 0.000 0.431 32 L N 0.742 122.013 121.223 0.079 0.000 2.334 32 L HA 0.460 4.800 4.340 0.000 0.000 0.276 32 L C -0.640 176.285 176.870 0.092 0.000 1.014 32 L CA -0.623 54.300 54.840 0.138 0.000 0.815 32 L CB 2.124 44.313 42.059 0.216 0.000 1.268 32 L HN -0.261 nan 8.230 nan 0.000 0.428 33 V N 3.432 123.402 119.914 0.092 0.000 2.623 33 V HA 0.533 4.653 4.120 0.000 0.000 0.304 33 V C -0.461 175.674 176.094 0.068 0.000 1.054 33 V CA -0.505 61.832 62.300 0.061 0.000 0.882 33 V CB 1.910 33.756 31.823 0.038 0.000 1.002 33 V HN 0.706 nan 8.190 nan 0.000 0.424 34 M N 4.104 123.731 119.600 0.044 0.000 2.227 34 M HA 0.549 5.029 4.480 0.000 0.000 0.335 34 M C -0.665 175.621 176.300 -0.024 0.000 1.053 34 M CA 0.135 55.451 55.300 0.026 0.000 0.973 34 M CB 1.420 34.012 32.600 -0.014 0.000 1.623 34 M HN 0.707 nan 8.290 nan 0.000 0.434 35 T N 6.037 120.588 114.554 -0.005 0.000 2.779 35 T HA 0.565 4.915 4.350 0.000 0.000 0.280 35 T C -1.100 173.606 174.700 0.011 0.000 0.987 35 T CA -0.238 61.858 62.100 -0.008 0.000 0.966 35 T CB 0.866 69.726 68.868 -0.013 0.000 0.933 35 T HN 0.532 nan 8.240 nan 0.000 0.442 36 F N 3.444 123.307 119.950 -0.146 0.000 2.561 36 F HA 0.701 5.228 4.527 0.000 0.000 0.321 36 F C -0.508 175.263 175.800 -0.049 0.000 1.065 36 F CA -0.523 57.400 58.000 -0.128 0.000 0.934 36 F CB 1.492 40.348 39.000 -0.241 0.000 1.215 36 F HN 0.669 nan 8.300 nan 0.000 0.471 37 Q N 3.386 122.478 119.800 -1.179 0.000 2.848 37 Q HA 0.545 4.885 4.340 0.000 0.000 0.288 37 Q C -2.160 173.357 176.000 -0.805 0.000 0.907 37 Q CA -1.173 54.192 55.803 -0.730 0.000 0.792 37 Q CB 1.795 30.357 28.738 -0.294 0.000 1.534 37 Q HN 0.787 nan 8.270 nan 0.000 0.419 38 V N -0.832 118.862 119.914 -0.366 0.000 2.547 38 V HA 0.601 4.721 4.120 0.000 0.000 0.299 38 V C -0.207 175.829 176.094 -0.097 0.000 1.040 38 V CA -0.473 61.721 62.300 -0.177 0.000 0.913 38 V CB 1.154 32.981 31.823 0.006 0.000 0.992 38 V HN 0.928 nan 8.190 nan 0.000 0.449 39 D N 3.120 123.488 120.400 -0.054 0.000 2.398 39 D HA 0.132 4.772 4.640 0.000 0.000 0.264 39 D C 1.434 177.730 176.300 -0.006 0.000 1.263 39 D CA 0.183 54.164 54.000 -0.032 0.000 1.037 39 D CB 0.396 41.185 40.800 -0.019 0.000 1.101 39 D HN 0.756 nan 8.370 nan 0.000 0.551 40 S N -1.958 113.739 115.700 -0.005 0.000 2.547 40 S HA -0.174 4.296 4.470 0.000 0.000 0.235 40 S C 1.263 175.867 174.600 0.007 0.000 0.980 40 S CA 0.819 59.020 58.200 0.001 0.000 0.941 40 S CB -0.455 62.743 63.200 -0.002 0.000 0.763 40 S HN 0.581 nan 8.310 nan 0.000 0.532 41 K N 0.424 120.833 120.400 0.016 0.000 2.387 41 K HA 0.335 4.655 4.320 0.000 0.000 0.203 41 K C 0.877 177.492 176.600 0.024 0.000 1.030 41 K CA 0.424 56.721 56.287 0.016 0.000 1.099 41 K CB -0.200 32.317 32.500 0.028 0.000 0.863 41 K HN 0.461 nan 8.250 nan 0.000 0.529 42 G N 0.699 109.526 108.800 0.046 0.000 2.147 42 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 42 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 42 G C -0.065 174.948 174.900 0.189 0.000 1.005 42 G CA 0.172 45.329 45.100 0.095 0.000 0.713 42 G HN 0.447 nan 8.290 nan 0.000 0.515 43 A N 0.431 123.340 122.820 0.149 0.000 2.309 43 A HA 0.730 5.050 4.320 0.000 0.000 0.290 43 A C -1.776 175.889 177.584 0.136 0.000 1.206 43 A CA -1.358 50.803 52.037 0.206 0.000 0.850 43 A CB 0.694 19.792 19.000 0.163 0.000 1.118 43 A HN 0.131 nan 8.150 nan 0.000 0.523 44 P HA 0.198 nan 4.420 nan 0.000 0.267 44 P C -0.452 176.878 177.300 0.049 0.000 1.209 44 P CA 0.709 63.884 63.100 0.125 0.000 0.763 44 P CB 0.782 32.654 31.700 0.287 0.000 0.816 45 T N 3.724 118.147 114.554 -0.218 0.000 2.881 45 T HA 0.573 4.923 4.350 0.000 0.000 0.290 45 T C -0.878 173.775 174.700 -0.078 0.000 1.000 45 T CA -0.448 61.588 62.100 -0.107 0.000 0.978 45 T CB 0.742 69.515 68.868 -0.159 0.000 0.997 45 T HN 0.321 nan 8.240 nan 0.000 0.443 46 Y N 0.563 120.819 120.300 -0.073 0.000 2.605 46 Y HA 0.846 5.397 4.550 0.000 0.000 0.343 46 Y C -0.753 175.129 175.900 -0.030 0.000 1.036 46 Y CA -1.183 56.894 58.100 -0.038 0.000 1.065 46 Y CB 1.695 40.166 38.460 0.017 0.000 1.288 46 Y HN 0.746 nan 8.280 nan 0.000 0.481 47 E N 2.393 122.501 120.200 -0.154 0.000 2.412 47 E HA 0.613 4.963 4.350 0.000 0.000 0.279 47 E C -2.476 174.135 176.600 0.019 0.000 0.984 47 E CA -1.159 55.124 56.400 -0.194 0.000 0.788 47 E CB 2.837 32.464 29.700 -0.122 0.000 1.277 47 E HN 0.769 nan 8.360 nan 0.000 0.455 48 L N 1.130 122.386 121.223 0.055 0.000 2.455 48 L HA 0.600 4.940 4.340 0.000 0.000 0.264 48 L C -1.216 175.732 176.870 0.131 0.000 0.968 48 L CA 0.080 55.005 54.840 0.142 0.000 0.827 48 L CB 2.390 44.598 42.059 0.247 0.000 1.317 48 L HN 0.876 nan 8.230 nan 0.000 0.407 49 T N 1.042 115.676 114.554 0.133 0.000 2.908 49 T HA 0.628 4.978 4.350 0.000 0.000 0.290 49 T C -1.277 173.546 174.700 0.205 0.000 1.034 49 T CA -0.569 61.615 62.100 0.140 0.000 1.010 49 T CB 1.565 70.483 68.868 0.083 0.000 1.068 49 T HN 0.558 nan 8.240 nan 0.000 0.481 50 Y N 1.384 121.721 120.300 0.062 0.000 2.329 50 Y HA 0.437 4.987 4.550 0.000 0.000 0.328 50 Y C 0.233 176.161 175.900 0.047 0.000 0.992 50 Y CA -0.979 57.157 58.100 0.061 0.000 1.151 50 Y CB 1.161 39.661 38.460 0.068 0.000 1.150 50 Y HN 0.972 nan 8.280 nan 0.000 0.450 51 K N 5.567 125.715 120.400 -0.420 0.000 3.077 51 K HA -0.333 3.987 4.320 0.000 0.000 0.264 51 K C -0.059 176.469 176.600 -0.120 0.000 1.008 51 K CA 1.038 57.120 56.287 -0.342 0.000 0.740 51 K CB -1.168 31.023 32.500 -0.515 0.000 1.273 51 K HN 0.972 nan 8.250 nan 0.000 0.477 52 N N -1.387 117.282 118.700 -0.051 0.000 2.828 52 N HA -0.167 4.573 4.740 0.000 0.000 0.248 52 N C -0.782 174.743 175.510 0.027 0.000 1.044 52 N CA 1.630 54.677 53.050 -0.005 0.000 0.851 52 N CB -0.607 37.872 38.487 -0.014 0.000 1.136 52 N HN 0.532 nan 8.380 nan 0.000 0.572 53 K N 0.613 121.048 120.400 0.059 0.000 2.182 53 K HA 0.521 4.841 4.320 0.000 0.000 0.262 53 K C 0.097 176.765 176.600 0.114 0.000 0.957 53 K CA -0.683 55.658 56.287 0.090 0.000 0.842 53 K CB 2.328 34.902 32.500 0.123 0.000 1.099 53 K HN -0.187 nan 8.250 nan 0.000 0.438 54 V N 3.664 123.634 119.914 0.093 0.000 2.529 54 V HA -0.048 4.072 4.120 0.000 0.000 0.292 54 V C 0.989 177.158 176.094 0.125 0.000 1.028 54 V CA 0.219 62.576 62.300 0.095 0.000 1.074 54 V CB 0.966 32.831 31.823 0.071 0.000 0.958 54 V HN 0.682 nan 8.190 nan 0.000 0.481 55 V N 5.464 125.462 119.914 0.139 0.000 2.806 55 V HA 0.262 4.382 4.120 0.000 0.000 0.239 55 V C 0.417 176.619 176.094 0.179 0.000 1.113 55 V CA 0.624 63.018 62.300 0.157 0.000 1.137 55 V CB 0.440 32.362 31.823 0.165 0.000 0.865 55 V HN 0.603 nan 8.190 nan 0.000 0.482 56 I N 1.580 122.237 120.570 0.144 0.000 2.439 56 I HA 0.380 4.550 4.170 0.000 0.000 0.283 56 I C -0.040 176.068 176.117 -0.016 0.000 1.023 56 I CA -0.601 60.758 61.300 0.098 0.000 1.100 56 I CB 1.384 39.443 38.000 0.099 0.000 1.238 56 I HN 0.219 nan 8.210 nan 0.000 0.445 57 K N 6.065 126.459 120.400 -0.010 0.000 2.149 57 K HA 0.276 4.596 4.320 0.000 0.000 0.245 57 K C -2.319 174.198 176.600 -0.138 0.000 1.024 57 K CA -1.394 54.864 56.287 -0.047 0.000 0.899 57 K CB 0.008 32.498 32.500 -0.017 0.000 1.038 57 K HN 0.232 nan 8.250 nan 0.000 0.496 58 P HA -0.061 nan 4.420 nan 0.000 0.256 58 P C -1.221 175.976 177.300 -0.173 0.000 1.173 58 P CA 0.806 63.808 63.100 -0.164 0.000 0.768 58 P CB 0.422 32.062 31.700 -0.100 0.000 0.758 59 S N 1.467 116.997 115.700 -0.284 0.000 2.536 59 S HA 0.538 5.008 4.470 0.000 0.000 0.287 59 S C -0.092 174.490 174.600 -0.029 0.000 1.101 59 S CA -0.699 57.392 58.200 -0.182 0.000 0.950 59 S CB 1.318 64.346 63.200 -0.287 0.000 1.056 59 S HN 0.448 nan 8.310 nan 0.000 0.481 60 T N 0.910 115.500 114.554 0.060 0.000 2.899 60 T HA 0.758 5.108 4.350 0.000 0.000 0.284 60 T C -0.326 174.499 174.700 0.207 0.000 1.004 60 T CA -0.705 61.473 62.100 0.131 0.000 1.043 60 T CB 0.146 69.079 68.868 0.108 0.000 1.013 60 T HN 0.435 nan 8.240 nan 0.000 0.518 61 L N 0.673 122.041 121.223 0.242 0.000 2.388 61 L HA 0.813 5.153 4.340 0.000 0.000 0.264 61 L C 0.448 177.560 176.870 0.404 0.000 0.998 61 L CA -0.759 54.264 54.840 0.305 0.000 0.817 61 L CB 2.215 44.350 42.059 0.127 0.000 1.338 61 L HN 1.201 nan 8.230 nan 0.000 0.414 62 G N 1.638 110.721 108.800 0.472 0.000 2.337 62 G HA2 0.463 4.423 3.960 0.000 0.000 0.298 62 G HA3 0.463 4.423 3.960 0.000 0.000 0.298 62 G C -2.319 172.720 174.900 0.232 0.000 1.335 62 G CA -0.781 44.536 45.100 0.361 0.000 0.875 62 G HN 0.323 nan 8.290 nan 0.000 0.579 63 L N -0.460 120.910 121.223 0.245 0.000 2.415 63 L HA 0.759 5.099 4.340 0.000 0.000 0.256 63 L C -0.238 176.823 176.870 0.319 0.000 1.010 63 L CA -0.761 54.203 54.840 0.207 0.000 0.826 63 L CB 2.394 44.468 42.059 0.025 0.000 1.405 63 L HN 0.775 nan 8.230 nan 0.000 0.410 64 E N 1.329 121.697 120.200 0.279 0.000 2.171 64 E HA 0.665 5.015 4.350 0.000 0.000 0.271 64 E C -1.558 175.095 176.600 0.089 0.000 0.916 64 E CA -0.583 55.965 56.400 0.246 0.000 0.774 64 E CB 1.327 31.178 29.700 0.250 0.000 1.128 64 E HN 0.474 nan 8.360 nan 0.000 0.403 65 L N 3.134 124.384 121.223 0.046 0.000 2.344 65 L HA 0.453 4.793 4.340 0.000 0.000 0.272 65 L C 0.349 177.213 176.870 -0.009 0.000 1.035 65 L CA -0.945 53.897 54.840 0.003 0.000 0.807 65 L CB 1.206 43.246 42.059 -0.032 0.000 1.237 65 L HN 0.451 nan 8.230 nan 0.000 0.442 66 K N 2.030 122.408 120.400 -0.036 0.000 2.382 66 K HA 0.075 4.395 4.320 0.000 0.000 0.275 66 K C -0.129 176.453 176.600 -0.031 0.000 1.009 66 K CA -0.326 55.932 56.287 -0.048 0.000 0.970 66 K CB 0.747 33.192 32.500 -0.092 0.000 0.934 66 K HN 0.437 nan 8.250 nan 0.000 0.479 67 K N 3.406 123.792 120.400 -0.023 0.000 2.401 67 K HA -0.026 4.294 4.320 0.000 0.000 0.278 67 K C -0.657 175.932 176.600 -0.017 0.000 1.018 67 K CA 0.135 56.412 56.287 -0.018 0.000 0.981 67 K CB 0.493 32.985 32.500 -0.014 0.000 0.933 67 K HN 0.525 nan 8.250 nan 0.000 0.477 68 E N 3.021 123.213 120.200 -0.012 0.000 2.376 68 E HA -0.090 4.260 4.350 0.000 0.000 0.266 68 E C -0.616 175.979 176.600 -0.007 0.000 1.009 68 E CA -0.074 56.322 56.400 -0.006 0.000 0.902 68 E CB 0.514 30.215 29.700 0.002 0.000 0.972 68 E HN 0.522 nan 8.360 nan 0.000 0.439 69 D N 3.318 123.715 120.400 -0.006 0.000 2.662 69 D HA -0.120 4.520 4.640 0.000 0.000 0.233 69 D C 0.007 176.302 176.300 -0.007 0.000 1.129 69 D CA 0.636 54.633 54.000 -0.006 0.000 0.851 69 D CB 0.192 40.989 40.800 -0.005 0.000 1.152 69 D HN 0.304 nan 8.370 nan 0.000 0.507 86 L N 2.896 124.099 121.223 -0.033 0.000 2.189 86 L HA -0.184 4.156 4.340 0.000 0.000 0.214 86 L C 1.421 178.270 176.870 -0.034 0.000 1.097 86 L CA 1.953 56.775 54.840 -0.030 0.000 0.764 86 L CB -0.839 41.208 42.059 -0.020 0.000 0.900 86 L HN 0.291 nan 8.230 nan 0.000 0.436 87 D N -1.069 119.310 120.400 -0.036 0.000 2.216 87 D HA -0.069 4.572 4.640 0.000 0.000 0.208 87 D C 2.236 178.504 176.300 -0.053 0.000 0.960 87 D CA 1.361 55.341 54.000 -0.034 0.000 0.861 87 D CB 0.266 41.050 40.800 -0.026 0.000 0.985 87 D HN 0.364 nan 8.370 nan 0.000 0.493 88 S N 0.901 116.557 115.700 -0.074 0.000 2.428 88 S HA -0.072 4.398 4.470 0.000 0.000 0.230 88 S C 1.721 176.236 174.600 -0.141 0.000 1.014 88 S CA 0.585 58.716 58.200 -0.116 0.000 0.957 88 S CB -0.157 62.970 63.200 -0.122 0.000 0.784 88 S HN 0.103 nan 8.310 nan 0.000 0.499 89 K N 1.219 121.555 120.400 -0.107 0.000 2.283 89 K HA -0.039 4.282 4.320 0.000 0.000 0.202 89 K C 2.207 178.741 176.600 -0.110 0.000 1.048 89 K CA 1.473 57.692 56.287 -0.112 0.000 0.948 89 K CB -0.446 32.008 32.500 -0.077 0.000 0.742 89 K HN 0.763 nan 8.250 nan 0.000 0.458 90 T N -1.035 113.472 114.554 -0.079 0.000 3.085 90 T HA -0.062 4.288 4.350 0.000 0.000 0.263 90 T C 0.802 175.479 174.700 -0.038 0.000 1.127 90 T CA 0.170 62.246 62.100 -0.040 0.000 1.103 90 T CB -0.137 68.731 68.868 0.000 0.000 0.921 90 T HN -0.056 nan 8.240 nan 0.000 0.510 91 N N 1.255 119.865 118.700 -0.150 0.000 2.406 91 N HA 0.205 4.945 4.740 0.000 0.000 0.251 91 N C -0.691 174.594 175.510 -0.374 0.000 1.069 91 N CA -0.624 52.208 53.050 -0.364 0.000 0.947 91 N CB 1.087 39.226 38.487 -0.581 0.000 1.111 91 N HN 0.241 nan 8.380 nan 0.000 0.497 92 L N 5.667 126.776 121.223 -0.191 0.000 3.291 92 L HA 0.299 4.639 4.340 0.000 0.000 0.307 92 L C -0.601 176.443 176.870 0.291 0.000 1.303 92 L CA -0.262 54.584 54.840 0.011 0.000 0.949 92 L CB -0.270 41.808 42.059 0.031 0.000 1.375 92 L HN 0.581 nan 8.230 nan 0.000 0.596 93 Y N -3.014 117.412 120.300 0.209 0.000 2.452 93 Y HA 0.596 5.146 4.550 0.000 0.000 0.262 93 Y C 0.081 176.171 175.900 0.317 0.000 1.089 93 Y CA -0.423 57.852 58.100 0.292 0.000 1.262 93 Y CB 0.027 38.565 38.460 0.130 0.000 1.236 93 Y HN 0.236 nan 8.280 nan 0.000 0.512 94 D N -1.607 118.708 120.400 -0.142 0.000 2.752 94 D HA 0.474 5.114 4.640 0.000 0.000 0.313 94 D C 0.841 176.881 176.300 -0.433 0.000 1.225 94 D CA -0.652 53.330 54.000 -0.031 0.000 0.976 94 D CB 0.899 41.766 40.800 0.111 0.000 1.443 94 D HN 0.510 nan 8.370 nan 0.000 0.515 95 G N -1.476 107.185 108.800 -0.232 0.000 2.137 95 G HA2 -0.171 3.789 3.960 0.000 0.000 0.237 95 G HA3 -0.171 3.789 3.960 0.000 0.000 0.237 95 G C -0.526 174.168 174.900 -0.344 0.000 1.002 95 G CA 0.128 45.047 45.100 -0.302 0.000 0.702 95 G HN 0.317 nan 8.290 nan 0.000 0.515 96 F N 0.830 120.757 119.950 -0.038 0.000 2.397 96 F HA 0.635 5.162 4.527 0.000 0.000 0.331 96 F C 0.830 176.657 175.800 0.044 0.000 1.090 96 F CA -0.636 57.365 58.000 0.001 0.000 1.065 96 F CB 1.183 40.218 39.000 0.058 0.000 1.184 96 F HN 0.126 nan 8.300 nan 0.000 0.499 97 E N 0.873 121.259 120.200 0.310 0.000 2.266 97 E HA 0.418 4.768 4.350 0.000 0.000 0.268 97 E C -1.393 175.357 176.600 0.249 0.000 0.879 97 E CA -1.044 55.495 56.400 0.233 0.000 0.762 97 E CB 2.638 32.466 29.700 0.212 0.000 1.199 97 E HN 0.196 nan 8.360 nan 0.000 0.422 98 V N 3.939 123.974 119.914 0.202 0.000 2.397 98 V HA -0.022 4.098 4.120 0.000 0.000 0.262 98 V C 1.353 177.531 176.094 0.139 0.000 1.047 98 V CA 0.523 62.934 62.300 0.185 0.000 1.003 98 V CB 0.470 32.407 31.823 0.190 0.000 1.037 98 V HN 0.703 nan 8.190 nan 0.000 0.480 99 K N 2.966 123.445 120.400 0.131 0.000 2.128 99 K HA 0.041 4.361 4.320 0.000 0.000 0.202 99 K C 0.379 177.006 176.600 0.045 0.000 1.050 99 K CA 0.854 57.190 56.287 0.083 0.000 0.966 99 K CB 0.409 32.956 32.500 0.078 0.000 0.759 99 K HN 0.751 nan 8.250 nan 0.000 0.454 100 D N -0.608 119.817 120.400 0.042 0.000 2.599 100 D HA 0.192 4.832 4.640 0.000 0.000 0.252 100 D C -1.810 174.500 176.300 0.017 0.000 1.232 100 D CA -0.324 53.690 54.000 0.023 0.000 0.819 100 D CB 2.149 42.954 40.800 0.008 0.000 1.401 100 D HN 0.164 nan 8.370 nan 0.000 0.429 101 T N -0.685 113.878 114.554 0.014 0.000 2.952 101 T HA 0.765 5.115 4.350 0.000 0.000 0.305 101 T C -1.100 173.606 174.700 0.009 0.000 1.064 101 T CA -0.842 61.263 62.100 0.008 0.000 1.008 101 T CB 1.661 70.543 68.868 0.022 0.000 1.078 101 T HN 0.225 nan 8.240 nan 0.000 0.459 102 Q N 1.469 121.272 119.800 0.006 0.000 2.347 102 Q HA 0.704 5.044 4.340 0.000 0.000 0.271 102 Q C -0.351 175.665 176.000 0.027 0.000 1.064 102 Q CA -0.778 55.034 55.803 0.015 0.000 0.800 102 Q CB 2.409 31.153 28.738 0.011 0.000 1.304 102 Q HN 0.961 nan 8.270 nan 0.000 0.438 103 T N -1.309 113.265 114.554 0.033 0.000 2.932 103 T HA 0.987 5.337 4.350 0.000 0.000 0.289 103 T C -0.615 174.116 174.700 0.052 0.000 1.039 103 T CA -0.725 61.402 62.100 0.045 0.000 1.024 103 T CB 1.894 70.784 68.868 0.037 0.000 1.090 103 T HN 0.772 nan 8.240 nan 0.000 0.496 104 A N 0.818 123.679 122.820 0.069 0.000 2.586 104 A HA 0.719 5.039 4.320 0.000 0.000 0.291 104 A C -0.655 176.970 177.584 0.069 0.000 1.062 104 A CA -0.966 51.113 52.037 0.070 0.000 0.666 104 A CB 1.187 20.243 19.000 0.093 0.000 1.281 104 A HN 0.924 nan 8.150 nan 0.000 0.421 105 T N 0.772 115.347 114.554 0.034 0.000 2.876 105 T HA 0.683 5.033 4.350 0.000 0.000 0.289 105 T C -1.442 173.223 174.700 -0.058 0.000 1.014 105 T CA -0.080 62.009 62.100 -0.019 0.000 0.986 105 T CB 0.960 69.829 68.868 0.001 0.000 1.021 105 T HN 0.726 nan 8.240 nan 0.000 0.458 106 F N 2.385 122.056 119.950 -0.465 0.000 2.540 106 F HA 0.611 5.138 4.527 0.000 0.000 0.317 106 F C -1.094 174.507 175.800 -0.332 0.000 1.104 106 F CA -0.781 56.915 58.000 -0.506 0.000 0.913 106 F CB 1.678 40.100 39.000 -0.964 0.000 1.170 106 F HN 0.420 nan 8.300 nan 0.000 0.450 107 D N 4.443 124.412 120.400 -0.718 0.000 2.337 107 D HA 0.226 4.866 4.640 0.000 0.000 0.238 107 D C -1.513 174.453 176.300 -0.556 0.000 1.331 107 D CA -0.083 53.627 54.000 -0.482 0.000 0.967 107 D CB 0.572 41.065 40.800 -0.511 0.000 1.382 107 D HN 0.452 nan 8.370 nan 0.000 0.549 108 E N 0.899 120.832 120.200 -0.444 0.000 2.367 108 E HA 0.513 4.863 4.350 0.000 0.000 0.273 108 E C -0.662 175.983 176.600 0.073 0.000 0.903 108 E CA -0.689 55.567 56.400 -0.240 0.000 0.764 108 E CB 2.015 31.520 29.700 -0.324 0.000 1.252 108 E HN 0.172 nan 8.360 nan 0.000 0.446 109 T N 2.312 116.910 114.554 0.074 0.000 2.855 109 T HA 0.631 4.981 4.350 0.000 0.000 0.281 109 T C -0.583 174.240 174.700 0.205 0.000 1.007 109 T CA -0.841 61.322 62.100 0.104 0.000 1.009 109 T CB 0.741 69.605 68.868 -0.007 0.000 0.983 109 T HN 0.370 nan 8.240 nan 0.000 0.455 110 W N 1.410 122.714 121.300 0.006 0.000 3.032 110 W HA 0.652 5.312 4.660 0.000 0.000 0.341 110 W C -1.568 174.932 176.519 -0.032 0.000 1.202 110 W CA -1.210 56.129 57.345 -0.009 0.000 1.132 110 W CB 1.011 30.472 29.460 0.003 0.000 1.465 110 W HN 0.457 nan 8.180 nan 0.000 0.576 111 Q N 2.595 122.454 119.800 0.098 0.000 2.325 111 Q HA 0.360 4.700 4.340 0.000 0.000 0.270 111 Q C -2.170 173.832 176.000 0.003 0.000 1.020 111 Q CA -1.765 53.975 55.803 -0.104 0.000 0.785 111 Q CB 2.885 31.593 28.738 -0.051 0.000 1.259 111 Q HN 0.067 nan 8.270 nan 0.000 0.452 112 P HA 0.059 nan 4.420 nan 0.000 0.276 112 P C 0.464 177.682 177.300 -0.136 0.000 1.244 112 P CA -0.316 62.732 63.100 -0.086 0.000 0.801 112 P CB 1.351 32.900 31.700 -0.252 0.000 1.006 113 V N -0.227 119.554 119.914 -0.222 0.000 2.343 113 V HA -0.071 4.049 4.120 0.000 0.000 0.247 113 V C 0.930 177.012 176.094 -0.020 0.000 1.051 113 V CA 1.421 63.631 62.300 -0.151 0.000 1.036 113 V CB -0.881 30.833 31.823 -0.181 0.000 0.654 113 V HN 0.659 nan 8.190 nan 0.000 0.451 114 W N -1.685 119.617 121.300 0.004 0.000 3.127 114 W HA 0.702 5.362 4.660 0.000 0.000 0.330 114 W C -0.182 176.389 176.519 0.088 0.000 1.187 114 W CA -0.301 57.059 57.345 0.024 0.000 1.198 114 W CB 1.113 30.588 29.460 0.026 0.000 1.408 114 W HN 0.109 nan 8.180 nan 0.000 0.529 115 G N 0.431 109.477 108.800 0.409 0.000 2.341 115 G HA2 0.140 4.100 3.960 0.000 0.000 0.299 115 G HA3 0.140 4.100 3.960 0.000 0.000 0.299 115 G C -0.479 174.443 174.900 0.038 0.000 1.274 115 G CA -0.647 44.579 45.100 0.211 0.000 0.853 115 G HN 0.461 nan 8.290 nan 0.000 0.493 116 E N 0.118 120.139 120.200 -0.300 0.000 2.435 116 E HA 0.104 4.454 4.350 0.000 0.000 0.195 116 E C 0.398 176.931 176.600 -0.111 0.000 1.029 116 E CA 0.918 57.140 56.400 -0.296 0.000 0.865 116 E CB 0.257 29.680 29.700 -0.461 0.000 0.833 116 E HN 0.512 nan 8.360 nan 0.000 0.510 117 E N -0.213 119.923 120.200 -0.107 0.000 2.430 117 E HA 0.153 4.503 4.350 0.000 0.000 0.279 117 E C -0.111 176.418 176.600 -0.119 0.000 1.003 117 E CA -0.616 55.725 56.400 -0.098 0.000 0.801 117 E CB 1.215 30.836 29.700 -0.131 0.000 1.313 117 E HN -0.171 nan 8.360 nan 0.000 0.459 118 K N 0.111 120.448 120.400 -0.105 0.000 2.026 118 K HA -0.057 4.264 4.320 0.000 0.000 0.208 118 K C 0.019 176.513 176.600 -0.177 0.000 1.048 118 K CA 1.450 57.668 56.287 -0.114 0.000 0.929 118 K CB 0.267 32.717 32.500 -0.082 0.000 0.713 118 K HN 0.489 nan 8.250 nan 0.000 0.439 119 E N 0.060 120.141 120.200 -0.198 0.000 2.288 119 E HA 0.382 4.732 4.350 0.000 0.000 0.268 119 E C -1.085 175.306 176.600 -0.349 0.000 0.885 119 E CA -0.656 55.582 56.400 -0.270 0.000 0.767 119 E CB 2.455 32.054 29.700 -0.168 0.000 1.220 119 E HN 0.086 nan 8.360 nan 0.000 0.427 120 I N 1.771 122.006 120.570 -0.559 0.000 2.465 120 I HA 0.360 4.530 4.170 0.000 0.000 0.291 120 I C -0.232 175.695 176.117 -0.318 0.000 1.014 120 I CA -0.725 60.249 61.300 -0.543 0.000 1.093 120 I CB 1.929 39.345 38.000 -0.973 0.000 1.267 120 I HN 0.223 nan 8.210 nan 0.000 0.431 121 R N 4.336 124.787 120.500 -0.082 0.000 2.312 121 R HA 0.310 4.650 4.340 0.000 0.000 0.311 121 R C -0.666 175.780 176.300 0.244 0.000 1.004 121 R CA -0.486 55.658 56.100 0.073 0.000 0.902 121 R CB 0.843 31.182 30.300 0.064 0.000 1.073 121 R HN 0.525 nan 8.270 nan 0.000 0.457 122 N N 3.010 121.943 118.700 0.388 0.000 2.621 122 N HA 0.086 4.826 4.740 0.000 0.000 0.237 122 N C -1.786 174.069 175.510 0.575 0.000 0.997 122 N CA -0.256 53.152 53.050 0.598 0.000 0.918 122 N CB 0.462 39.392 38.487 0.738 0.000 1.122 122 N HN 0.658 nan 8.380 nan 0.000 0.510 123 H N 3.800 123.123 119.070 0.422 0.000 2.800 123 H HA 0.338 4.894 4.556 0.000 0.000 0.322 123 H C -1.305 174.103 175.328 0.134 0.000 0.979 123 H CA -0.740 55.411 56.048 0.172 0.000 1.277 123 H CB 0.701 30.535 29.762 0.120 0.000 1.484 123 H HN 0.541 nan 8.280 nan 0.000 0.512 124 Y N 2.097 122.377 120.300 -0.032 0.000 2.638 124 Y HA 0.412 4.962 4.550 0.000 0.000 0.335 124 Y C -1.723 174.044 175.900 -0.221 0.000 1.155 124 Y CA -1.454 56.368 58.100 -0.463 0.000 1.046 124 Y CB 0.863 38.618 38.460 -1.175 0.000 1.303 124 Y HN 0.398 nan 8.280 nan 0.000 0.460 125 N N 1.815 120.510 118.700 -0.008 0.000 2.400 125 N HA 0.296 5.036 4.740 0.000 0.000 0.288 125 N C -1.391 174.210 175.510 0.152 0.000 1.024 125 N CA -0.663 52.416 53.050 0.048 0.000 0.894 125 N CB 2.172 40.659 38.487 0.000 0.000 1.173 125 N HN 0.863 nan 8.380 nan 0.000 0.487 126 E N 1.626 121.939 120.200 0.189 0.000 2.227 126 E HA 0.525 4.876 4.350 0.000 0.000 0.268 126 E C -1.517 175.155 176.600 0.120 0.000 0.907 126 E CA -0.769 55.738 56.400 0.179 0.000 0.786 126 E CB 1.514 31.369 29.700 0.259 0.000 1.191 126 E HN 0.293 nan 8.360 nan 0.000 0.411 127 L N 3.142 124.443 121.223 0.130 0.000 2.441 127 L HA 0.665 5.005 4.340 0.000 0.000 0.270 127 L C -1.708 175.227 176.870 0.107 0.000 0.973 127 L CA -0.291 54.611 54.840 0.102 0.000 0.842 127 L CB 1.580 43.684 42.059 0.075 0.000 1.239 127 L HN 0.567 nan 8.230 nan 0.000 0.406 128 A N 5.111 127.947 122.820 0.027 0.000 2.287 128 A HA 0.778 5.098 4.320 0.000 0.000 0.317 128 A C -1.157 176.380 177.584 -0.079 0.000 1.220 128 A CA -0.519 51.488 52.037 -0.050 0.000 0.835 128 A CB 1.178 20.147 19.000 -0.051 0.000 1.180 128 A HN 0.522 nan 8.150 nan 0.000 0.500 129 V N 2.821 122.637 119.914 -0.163 0.000 2.384 129 V HA 0.377 4.497 4.120 0.000 0.000 0.287 129 V C 0.252 176.253 176.094 -0.155 0.000 1.020 129 V CA -0.354 61.841 62.300 -0.175 0.000 0.850 129 V CB 1.500 33.101 31.823 -0.370 0.000 0.987 129 V HN 0.878 nan 8.190 nan 0.000 0.436 130 T N 7.144 121.657 114.554 -0.067 0.000 2.743 130 T HA 0.563 4.913 4.350 0.000 0.000 0.293 130 T C -0.201 174.516 174.700 0.027 0.000 0.945 130 T CA -0.081 61.999 62.100 -0.033 0.000 1.030 130 T CB 0.256 69.124 68.868 0.001 0.000 0.912 130 T HN 0.362 nan 8.240 nan 0.000 0.483 131 L N 4.177 125.410 121.223 0.016 0.000 2.287 131 L HA 0.468 4.808 4.340 0.000 0.000 0.287 131 L C -0.677 176.393 176.870 0.333 0.000 1.022 131 L CA -1.144 53.761 54.840 0.109 0.000 0.814 131 L CB 0.786 42.712 42.059 -0.221 0.000 1.217 131 L HN 0.588 nan 8.230 nan 0.000 0.420 132 Y N 3.323 123.771 120.300 0.247 0.000 2.323 132 Y HA 0.293 4.843 4.550 0.000 0.000 0.331 132 Y C -0.138 175.896 175.900 0.223 0.000 1.092 132 Y CA -0.520 57.705 58.100 0.209 0.000 1.150 132 Y CB 1.423 39.947 38.460 0.107 0.000 1.200 132 Y HN 0.532 nan 8.280 nan 0.000 0.472 133 Q N 8.764 128.240 119.800 -0.540 0.000 2.462 133 Q HA 0.321 4.661 4.340 0.000 0.000 0.247 133 Q C -2.232 173.221 176.000 -0.911 0.000 1.044 133 Q CA -2.177 53.227 55.803 -0.665 0.000 0.803 133 Q CB 1.476 29.812 28.738 -0.671 0.000 1.190 133 Q HN 0.500 nan 8.270 nan 0.000 0.507 134 P HA -0.272 nan 4.420 nan 0.000 0.216 134 P C 1.207 178.334 177.300 -0.289 0.000 1.157 134 P CA 1.861 64.681 63.100 -0.467 0.000 0.880 134 P CB -0.022 31.594 31.700 -0.141 0.000 0.791 135 M N -3.156 116.280 119.600 -0.273 0.000 2.267 135 M HA -0.080 4.400 4.480 0.000 0.000 0.263 135 M C 0.743 176.928 176.300 -0.191 0.000 1.063 135 M CA 2.031 57.210 55.300 -0.201 0.000 1.090 135 M CB -0.599 31.877 32.600 -0.207 0.000 1.392 135 M HN -0.145 nan 8.290 nan 0.000 0.422 136 N N 0.034 118.585 118.700 -0.248 0.000 2.171 136 N HA 0.025 4.765 4.740 0.000 0.000 0.212 136 N C -0.470 174.953 175.510 -0.146 0.000 1.184 136 N CA 0.242 53.181 53.050 -0.186 0.000 0.888 136 N CB 0.265 38.627 38.487 -0.209 0.000 1.038 136 N HN 0.316 nan 8.380 nan 0.000 0.517 137 D N 1.810 122.099 120.400 -0.185 0.000 2.697 137 D HA -0.205 4.435 4.640 0.000 0.000 0.235 137 D C -0.377 175.953 176.300 0.050 0.000 1.167 137 D CA 0.882 54.865 54.000 -0.027 0.000 0.656 137 D CB -0.724 40.119 40.800 0.072 0.000 1.025 137 D HN 0.573 nan 8.370 nan 0.000 0.419 138 R N -1.708 118.753 120.500 -0.065 0.000 2.739 138 R HA 0.800 5.140 4.340 0.000 0.000 0.271 138 R C -1.194 175.181 176.300 0.126 0.000 1.010 138 R CA -1.033 55.104 56.100 0.062 0.000 0.897 138 R CB 1.416 31.713 30.300 -0.004 0.000 1.236 138 R HN -0.010 nan 8.270 nan 0.000 0.466 139 S N 0.914 116.738 115.700 0.207 0.000 2.599 139 S HA 0.710 5.180 4.470 0.000 0.000 0.287 139 S C -0.411 174.294 174.600 0.175 0.000 1.105 139 S CA -0.840 57.510 58.200 0.251 0.000 0.899 139 S CB 1.518 64.881 63.200 0.272 0.000 1.100 139 S HN 0.636 nan 8.310 nan 0.000 0.482 140 I N -1.831 118.811 120.570 0.120 0.000 3.145 140 I HA 0.914 5.084 4.170 0.000 0.000 0.313 140 I C -1.514 174.528 176.117 -0.125 0.000 1.122 140 I CA -1.198 60.099 61.300 -0.005 0.000 0.987 140 I CB 1.843 39.837 38.000 -0.009 0.000 1.236 140 I HN 0.348 nan 8.210 nan 0.000 0.453 141 V N 3.407 123.182 119.914 -0.233 0.000 2.656 141 V HA 0.512 4.632 4.120 0.000 0.000 0.307 141 V C -0.346 175.509 176.094 -0.399 0.000 1.051 141 V CA -0.413 61.727 62.300 -0.267 0.000 0.893 141 V CB 1.996 33.687 31.823 -0.221 0.000 0.999 141 V HN 0.510 nan 8.190 nan 0.000 0.426 142 I N 4.530 124.821 120.570 -0.466 0.000 2.382 142 I HA 0.528 4.699 4.170 0.000 0.000 0.286 142 I C 0.012 175.683 176.117 -0.743 0.000 1.002 142 I CA -0.467 60.403 61.300 -0.716 0.000 1.135 142 I CB 1.520 39.012 38.000 -0.846 0.000 1.288 142 I HN 0.510 nan 8.210 nan 0.000 0.448 143 R N 6.081 126.150 120.500 -0.719 0.000 2.294 143 R HA 0.576 4.916 4.340 0.000 0.000 0.319 143 R C -1.639 174.394 176.300 -0.444 0.000 0.984 143 R CA -0.424 55.403 56.100 -0.455 0.000 0.861 143 R CB 0.989 31.107 30.300 -0.302 0.000 1.104 143 R HN 0.332 nan 8.270 nan 0.000 0.451 144 F N 2.937 122.864 119.950 -0.037 0.000 2.458 144 F HA 0.513 5.040 4.527 0.000 0.000 0.336 144 F C 0.307 176.125 175.800 0.030 0.000 1.114 144 F CA -0.695 57.330 58.000 0.041 0.000 0.987 144 F CB 1.846 40.820 39.000 -0.043 0.000 1.130 144 F HN 0.255 nan 8.300 nan 0.000 0.458 145 R N 3.081 123.685 120.500 0.174 0.000 2.451 145 R HA 0.543 4.883 4.340 0.000 0.000 0.307 145 R C -1.780 174.434 176.300 -0.142 0.000 0.965 145 R CA -1.022 54.962 56.100 -0.194 0.000 0.865 145 R CB 2.123 31.974 30.300 -0.748 0.000 1.174 145 R HN 0.452 nan 8.270 nan 0.000 0.455 146 L N 4.658 125.797 121.223 -0.140 0.000 2.287 146 L HA 0.527 4.867 4.340 0.000 0.000 0.287 146 L C -1.326 175.458 176.870 -0.143 0.000 1.022 146 L CA -0.219 54.609 54.840 -0.020 0.000 0.814 146 L CB 0.652 42.746 42.059 0.059 0.000 1.217 146 L HN 0.426 nan 8.230 nan 0.000 0.420 147 F N 2.626 122.629 119.950 0.087 0.000 2.518 147 F HA 0.439 4.966 4.527 0.000 0.000 0.338 147 F C 1.499 177.334 175.800 0.058 0.000 1.065 147 F CA -0.739 57.302 58.000 0.068 0.000 1.012 147 F CB 0.642 39.683 39.000 0.068 0.000 1.297 147 F HN 0.404 nan 8.300 nan 0.000 0.489 148 N N 0.583 119.434 118.700 0.251 0.000 2.520 148 N HA -0.095 4.645 4.740 0.000 0.000 0.185 148 N C 0.441 176.076 175.510 0.209 0.000 1.068 148 N CA 0.924 54.084 53.050 0.184 0.000 0.911 148 N CB -0.373 38.196 38.487 0.138 0.000 0.961 148 N HN 0.572 nan 8.380 nan 0.000 0.446 149 D N -1.668 118.848 120.400 0.194 0.000 2.513 149 D HA 0.307 4.947 4.640 0.000 0.000 0.222 149 D C 0.692 177.039 176.300 0.080 0.000 1.210 149 D CA -0.382 53.680 54.000 0.103 0.000 0.825 149 D CB 0.420 41.235 40.800 0.026 0.000 1.037 149 D HN 0.089 nan 8.370 nan 0.000 0.506 150 G N -0.246 108.663 108.800 0.181 0.000 2.321 150 G HA2 0.369 4.329 3.960 0.000 0.000 0.298 150 G HA3 0.369 4.329 3.960 0.000 0.000 0.298 150 G C -2.456 172.630 174.900 0.310 0.000 1.385 150 G CA -0.890 44.318 45.100 0.181 0.000 0.856 150 G HN 0.210 nan 8.290 nan 0.000 0.584 151 L N 0.328 121.723 121.223 0.288 0.000 2.346 151 L HA 0.943 5.283 4.340 0.000 0.000 0.274 151 L C 0.345 177.404 176.870 0.315 0.000 1.007 151 L CA 0.100 55.147 54.840 0.344 0.000 0.818 151 L CB 2.001 44.289 42.059 0.382 0.000 1.284 151 L HN 1.329 nan 8.230 nan 0.000 0.424 152 G N 3.606 112.597 108.800 0.317 0.000 2.566 152 G HA2 0.660 4.620 3.960 0.000 0.000 0.311 152 G HA3 0.660 4.620 3.960 0.000 0.000 0.311 152 G C -1.675 173.478 174.900 0.422 0.000 1.322 152 G CA -0.431 44.811 45.100 0.236 0.000 0.969 152 G HN 0.698 nan 8.290 nan 0.000 0.490 153 F N 0.515 120.635 119.950 0.285 0.000 2.626 153 F HA 0.922 5.450 4.527 0.000 0.000 0.311 153 F C -0.548 175.030 175.800 -0.370 0.000 1.088 153 F CA -1.661 56.268 58.000 -0.119 0.000 0.949 153 F CB 1.862 40.553 39.000 -0.515 0.000 1.322 153 F HN 0.790 nan 8.300 nan 0.000 0.461 154 R N 0.854 121.010 120.500 -0.574 0.000 2.710 154 R HA 0.583 4.923 4.340 0.000 0.000 0.270 154 R C -2.417 173.423 176.300 -0.766 0.000 1.021 154 R CA -1.011 54.630 56.100 -0.764 0.000 0.889 154 R CB 1.512 31.019 30.300 -1.322 0.000 1.243 154 R HN 0.767 nan 8.270 nan 0.000 0.464 155 Y N 0.432 120.410 120.300 -0.536 0.000 2.334 155 Y HA 0.395 4.945 4.550 0.000 0.000 0.328 155 Y C -0.073 175.290 175.900 -0.896 0.000 1.130 155 Y CA -0.519 57.183 58.100 -0.664 0.000 1.163 155 Y CB 1.938 40.063 38.460 -0.558 0.000 1.207 155 Y HN 0.431 nan 8.280 nan 0.000 0.471 156 E N 2.839 122.579 120.200 -0.767 0.000 2.210 156 E HA 0.401 4.751 4.350 0.000 0.000 0.266 156 E C -1.742 174.443 176.600 -0.691 0.000 0.883 156 E CA -0.804 55.209 56.400 -0.645 0.000 0.761 156 E CB 1.642 31.112 29.700 -0.383 0.000 1.156 156 E HN 0.393 nan 8.360 nan 0.000 0.412 157 F N 2.831 122.796 119.950 0.025 0.000 2.359 157 F HA 0.334 4.861 4.527 0.000 0.000 0.369 157 F C -2.263 173.566 175.800 0.047 0.000 1.084 157 F CA -2.608 55.428 58.000 0.060 0.000 1.096 157 F CB 0.857 39.968 39.000 0.186 0.000 1.335 157 F HN 0.160 nan 8.300 nan 0.000 0.457 158 P HA 0.004 nan 4.420 nan 0.000 0.269 158 P C -0.532 176.830 177.300 0.103 0.000 1.215 158 P CA -0.387 62.765 63.100 0.086 0.000 0.780 158 P CB 0.630 32.360 31.700 0.051 0.000 0.898 159 Q N 2.443 122.284 119.800 0.069 0.000 2.297 159 Q HA 0.117 4.457 4.340 0.000 0.000 0.267 159 Q C -0.367 175.665 176.000 0.054 0.000 1.006 159 Q CA 0.184 56.019 55.803 0.055 0.000 0.896 159 Q CB 0.184 28.941 28.738 0.031 0.000 1.186 159 Q HN 0.395 nan 8.270 nan 0.000 0.392 160 Q N 2.437 122.272 119.800 0.058 0.000 2.685 160 Q HA 0.323 4.663 4.340 0.000 0.000 0.301 160 Q C -0.347 175.685 176.000 0.054 0.000 0.924 160 Q CA -1.116 54.721 55.803 0.057 0.000 0.755 160 Q CB 0.518 29.299 28.738 0.071 0.000 1.470 160 Q HN 0.282 nan 8.270 nan 0.000 0.434 161 K N 0.352 120.783 120.400 0.052 0.000 2.103 161 K HA 0.007 4.327 4.320 0.000 0.000 0.207 161 K C 1.073 177.701 176.600 0.048 0.000 1.048 161 K CA 1.417 57.733 56.287 0.048 0.000 0.930 161 K CB -0.150 32.376 32.500 0.044 0.000 0.716 161 K HN 0.555 nan 8.250 nan 0.000 0.444 162 S N 0.290 116.018 115.700 0.046 0.000 2.575 162 S HA 0.164 4.634 4.470 0.000 0.000 0.237 162 S C -0.263 174.349 174.600 0.020 0.000 0.975 162 S CA -0.383 57.836 58.200 0.031 0.000 0.960 162 S CB 0.214 63.425 63.200 0.018 0.000 0.822 162 S HN 0.067 nan 8.310 nan 0.000 0.472 163 L N 1.762 123.009 121.223 0.040 0.000 2.617 163 L HA 0.516 4.856 4.340 0.000 0.000 0.259 163 L C -0.521 176.406 176.870 0.094 0.000 0.995 163 L CA 0.122 54.985 54.840 0.038 0.000 0.899 163 L CB 0.658 42.716 42.059 -0.002 0.000 1.181 163 L HN -0.107 nan 8.230 nan 0.000 0.437 164 N N 2.219 120.991 118.700 0.120 0.000 3.261 164 N HA 0.209 4.949 4.740 0.000 0.000 0.217 164 N C -0.782 174.710 175.510 -0.030 0.000 1.152 164 N CA 0.181 53.251 53.050 0.032 0.000 1.153 164 N CB 0.315 38.835 38.487 0.055 0.000 1.474 164 N HN 0.269 nan 8.380 nan 0.000 0.577 165 Y N 1.106 121.481 120.300 0.125 0.000 2.320 165 Y HA 0.405 4.955 4.550 0.000 0.000 0.334 165 Y C -0.414 175.566 175.900 0.133 0.000 1.055 165 Y CA -0.739 57.397 58.100 0.061 0.000 1.143 165 Y CB 0.620 39.101 38.460 0.035 0.000 1.193 165 Y HN 0.108 nan 8.280 nan 0.000 0.477 166 F N 0.202 120.160 119.950 0.013 0.000 2.654 166 F HA 0.819 5.346 4.527 0.000 0.000 0.308 166 F C -2.134 173.542 175.800 -0.206 0.000 1.108 166 F CA -1.494 56.446 58.000 -0.100 0.000 0.957 166 F CB 0.672 39.580 39.000 -0.155 0.000 1.309 166 F HN 0.064 nan 8.300 nan 0.000 0.446 167 V N 3.406 123.253 119.914 -0.112 0.000 2.495 167 V HA 0.433 4.553 4.120 0.000 0.000 0.298 167 V C 0.037 176.037 176.094 -0.157 0.000 1.031 167 V CA -0.797 61.271 62.300 -0.386 0.000 0.871 167 V CB 1.759 33.239 31.823 -0.571 0.000 0.988 167 V HN 0.723 nan 8.190 nan 0.000 0.432 168 I N 4.254 124.701 120.570 -0.205 0.000 2.416 168 I HA 0.247 4.417 4.170 0.000 0.000 0.288 168 I C 1.278 177.304 176.117 -0.152 0.000 1.051 168 I CA 0.012 61.245 61.300 -0.113 0.000 1.375 168 I CB 1.110 39.025 38.000 -0.142 0.000 1.407 168 I HN 0.732 nan 8.210 nan 0.000 0.516 169 K N 5.029 125.368 120.400 -0.102 0.000 2.067 169 K HA 0.118 4.438 4.320 0.000 0.000 0.203 169 K C 0.089 176.586 176.600 -0.173 0.000 1.048 169 K CA 1.034 57.253 56.287 -0.113 0.000 0.954 169 K CB 0.548 33.015 32.500 -0.054 0.000 0.737 169 K HN 0.548 nan 8.250 nan 0.000 0.444 170 E N 0.443 120.537 120.200 -0.177 0.000 2.375 170 E HA 0.073 4.423 4.350 0.000 0.000 0.280 170 E C -1.777 174.619 176.600 -0.340 0.000 0.972 170 E CA -0.471 55.726 56.400 -0.338 0.000 0.782 170 E CB 1.916 31.323 29.700 -0.489 0.000 1.229 170 E HN 0.245 nan 8.360 nan 0.000 0.439 171 E N 1.763 121.776 120.200 -0.312 0.000 2.231 171 E HA 0.221 4.571 4.350 0.000 0.000 0.277 171 E C -0.647 175.786 176.600 -0.277 0.000 0.999 171 E CA -0.354 55.959 56.400 -0.144 0.000 0.827 171 E CB 0.660 30.406 29.700 0.077 0.000 1.101 171 E HN 0.388 nan 8.360 nan 0.000 0.393 172 H N 2.670 121.817 119.070 0.128 0.000 2.429 172 H HA 0.232 4.788 4.556 0.000 0.000 0.237 172 H C -0.896 174.570 175.328 0.231 0.000 1.378 172 H CA -0.363 55.777 56.048 0.153 0.000 1.170 172 H CB 0.581 30.391 29.762 0.079 0.000 1.671 172 H HN 0.200 nan 8.280 nan 0.000 0.541 173 S N 1.885 117.804 115.700 0.364 0.000 2.439 173 S HA 0.208 4.678 4.470 0.000 0.000 0.282 173 S C 0.561 175.264 174.600 0.172 0.000 1.170 173 S CA -0.481 57.922 58.200 0.338 0.000 1.054 173 S CB 1.404 64.896 63.200 0.487 0.000 0.956 173 S HN 0.462 nan 8.310 nan 0.000 0.490 174 Q N 1.642 121.485 119.800 0.073 0.000 2.214 174 Q HA 0.498 4.838 4.340 0.000 0.000 0.251 174 Q C -1.282 174.604 176.000 -0.189 0.000 0.936 174 Q CA -0.335 55.510 55.803 0.070 0.000 0.894 174 Q CB 1.183 29.999 28.738 0.129 0.000 1.252 174 Q HN 0.607 nan 8.270 nan 0.000 0.448 175 F N 0.124 120.310 119.950 0.393 0.000 2.824 175 F HA 0.314 4.841 4.527 0.000 0.000 0.375 175 F C 0.477 176.446 175.800 0.283 0.000 1.190 175 F CA -0.761 57.470 58.000 0.386 0.000 1.180 175 F CB 1.336 40.602 39.000 0.443 0.000 1.477 175 F HN 0.563 nan 8.300 nan 0.000 0.542 176 G N 4.160 113.105 108.800 0.242 0.000 2.351 176 G HA2 0.428 4.388 3.960 0.000 0.000 0.287 176 G HA3 0.428 4.388 3.960 0.000 0.000 0.287 176 G C 0.049 175.051 174.900 0.171 0.000 1.159 176 G CA -0.544 44.647 45.100 0.151 0.000 0.929 176 G HN 0.242 nan 8.290 nan 0.000 0.435 177 M N 1.678 121.372 119.600 0.157 0.000 2.255 177 M HA 0.135 4.615 4.480 0.000 0.000 0.336 177 M C 1.210 177.536 176.300 0.044 0.000 1.135 177 M CA -0.346 55.044 55.300 0.150 0.000 1.145 177 M CB 1.035 33.656 32.600 0.035 0.000 1.473 177 M HN 0.676 nan 8.290 nan 0.000 0.462 178 N N -0.488 118.274 118.700 0.103 0.000 2.336 178 N HA 0.179 4.919 4.740 0.000 0.000 0.189 178 N C 0.098 175.602 175.510 -0.009 0.000 1.113 178 N CA -0.147 52.942 53.050 0.066 0.000 0.858 178 N CB 0.709 39.276 38.487 0.133 0.000 0.970 178 N HN 0.823 nan 8.380 nan 0.000 0.471 179 G N -0.243 108.419 108.800 -0.230 0.000 2.495 179 G HA2 0.000 3.960 3.960 0.000 0.000 0.294 179 G HA3 0.000 3.960 3.960 0.000 0.000 0.294 179 G C -1.878 172.727 174.900 -0.492 0.000 1.397 179 G CA -0.576 44.371 45.100 -0.254 0.000 0.790 179 G HN 0.059 nan 8.290 nan 0.000 0.486 180 D N 0.626 120.886 120.400 -0.234 0.000 2.619 180 D HA 0.251 4.891 4.640 0.000 0.000 0.224 180 D C 0.552 176.809 176.300 -0.072 0.000 1.133 180 D CA -0.252 53.644 54.000 -0.174 0.000 1.017 180 D CB -0.588 40.158 40.800 -0.090 0.000 1.077 180 D HN 0.274 nan 8.370 nan 0.000 0.503 181 H N 1.260 120.336 119.070 0.010 0.000 2.730 181 H HA 0.177 4.733 4.556 0.000 0.000 0.376 181 H C 0.713 176.032 175.328 -0.015 0.000 1.299 181 H CA -0.082 55.968 56.048 0.004 0.000 1.447 181 H CB 0.561 30.346 29.762 0.039 0.000 1.493 181 H HN 0.272 nan 8.280 nan 0.000 0.619 182 I N 0.810 121.436 120.570 0.094 0.000 2.365 182 I HA 0.356 4.526 4.170 0.000 0.000 0.291 182 I C 0.414 176.473 176.117 -0.097 0.000 1.004 182 I CA -0.391 60.870 61.300 -0.066 0.000 1.311 182 I CB 0.966 38.869 38.000 -0.162 0.000 1.401 182 I HN 0.496 nan 8.210 nan 0.000 0.491 183 A N 6.619 129.372 122.820 -0.112 0.000 2.380 183 A HA 0.809 5.129 4.320 0.000 0.000 0.315 183 A C -1.169 176.329 177.584 -0.145 0.000 1.101 183 A CA -0.410 51.642 52.037 0.026 0.000 0.771 183 A CB 0.820 19.968 19.000 0.247 0.000 1.287 183 A HN 0.542 nan 8.150 nan 0.000 0.436 184 F N 3.302 123.367 119.950 0.190 0.000 2.366 184 F HA 0.530 5.057 4.527 0.000 0.000 0.366 184 F C 0.032 176.024 175.800 0.321 0.000 1.096 184 F CA -0.301 57.744 58.000 0.074 0.000 1.060 184 F CB 0.932 39.825 39.000 -0.177 0.000 1.282 184 F HN 0.720 nan 8.300 nan 0.000 0.450 185 W N 4.909 126.424 121.300 0.358 0.000 3.029 185 W HA 0.849 5.509 4.660 0.000 0.000 0.339 185 W C -1.769 174.829 176.519 0.132 0.000 1.198 185 W CA -1.767 55.755 57.345 0.295 0.000 1.148 185 W CB 1.042 30.577 29.460 0.125 0.000 1.451 185 W HN 0.371 nan 8.180 nan 0.000 0.564 186 I N -1.009 119.698 120.570 0.228 0.000 2.689 186 I HA 0.591 4.761 4.170 0.000 0.000 0.299 186 I C -2.741 173.516 176.117 0.234 0.000 1.059 186 I CA -3.096 58.181 61.300 -0.038 0.000 1.055 186 I CB 2.037 39.907 38.000 -0.216 0.000 1.243 186 I HN -0.089 nan 8.210 nan 0.000 0.425 187 P HA 0.059 nan 4.420 nan 0.000 0.264 187 P C 0.163 177.414 177.300 -0.081 0.000 1.183 187 P CA 0.236 63.285 63.100 -0.084 0.000 0.763 187 P CB 0.400 31.816 31.700 -0.473 0.000 0.807 188 G N 2.698 111.333 108.800 -0.274 0.000 2.340 188 G HA2 0.242 4.202 3.960 0.000 0.000 0.245 188 G HA3 0.242 4.202 3.960 0.000 0.000 0.245 188 G C -0.597 174.079 174.900 -0.373 0.000 1.294 188 G CA 0.150 45.056 45.100 -0.323 0.000 0.896 188 G HN 0.490 nan 8.290 nan 0.000 0.522 189 D N 1.333 121.660 120.400 -0.122 0.000 2.886 189 D HA 0.119 4.759 4.640 0.000 0.000 0.216 189 D C -0.283 176.101 176.300 0.140 0.000 1.256 189 D CA -0.572 53.405 54.000 -0.038 0.000 0.844 189 D CB 1.339 42.274 40.800 0.225 0.000 1.669 189 D HN 0.240 nan 8.370 nan 0.000 0.513 190 Y N 0.878 121.243 120.300 0.109 0.000 2.546 190 Y HA 0.168 4.718 4.550 0.000 0.000 0.287 190 Y C 1.527 177.342 175.900 -0.143 0.000 1.158 190 Y CA 0.195 58.359 58.100 0.107 0.000 1.307 190 Y CB 0.352 38.645 38.460 -0.280 0.000 1.036 190 Y HN 0.339 nan 8.280 nan 0.000 0.532 191 D N -2.080 118.328 120.400 0.013 0.000 2.448 191 D HA 0.085 4.725 4.640 0.000 0.000 0.256 191 D C 0.324 176.448 176.300 -0.294 0.000 1.108 191 D CA 0.556 54.434 54.000 -0.203 0.000 0.848 191 D CB 1.155 42.035 40.800 0.134 0.000 1.281 191 D HN 0.102 nan 8.370 nan 0.000 0.509 192 T N -0.287 114.306 114.554 0.065 0.000 2.868 192 T HA 0.349 4.699 4.350 0.000 0.000 0.306 192 T C -1.014 173.768 174.700 0.137 0.000 1.224 192 T CA -0.290 61.848 62.100 0.063 0.000 1.012 192 T CB 1.842 70.602 68.868 -0.180 0.000 1.221 192 T HN -0.297 nan 8.240 nan 0.000 0.499 193 Q N 0.916 120.746 119.800 0.050 0.000 2.093 193 Q HA 0.294 4.634 4.340 0.000 0.000 0.217 193 Q C 0.107 176.026 176.000 -0.133 0.000 0.785 193 Q CA -0.148 55.671 55.803 0.027 0.000 1.038 193 Q CB 0.884 29.678 28.738 0.093 0.000 1.190 193 Q HN 0.667 nan 8.270 nan 0.000 0.468 194 E N 0.719 120.729 120.200 -0.317 0.000 2.424 194 E HA 0.040 4.390 4.350 0.000 0.000 0.237 194 E C -0.893 175.359 176.600 -0.580 0.000 1.381 194 E CA 0.004 56.175 56.400 -0.380 0.000 1.587 194 E CB -0.021 29.522 29.700 -0.261 0.000 1.398 194 E HN 0.244 nan 8.360 nan 0.000 0.439 195 Y N 0.226 120.386 120.300 -0.232 0.000 2.457 195 Y HA 0.191 4.741 4.550 0.000 0.000 0.333 195 Y C 0.885 176.607 175.900 -0.296 0.000 1.119 195 Y CA -1.370 56.572 58.100 -0.262 0.000 1.143 195 Y CB 0.798 39.129 38.460 -0.216 0.000 1.230 195 Y HN -0.035 nan 8.280 nan 0.000 0.469 196 D N 0.611 120.962 120.400 -0.082 0.000 2.339 196 D HA 0.061 4.701 4.640 0.000 0.000 0.245 196 D C -0.734 175.505 176.300 -0.103 0.000 1.115 196 D CA 0.169 54.104 54.000 -0.108 0.000 0.917 196 D CB 0.609 41.343 40.800 -0.110 0.000 1.192 196 D HN 0.403 nan 8.370 nan 0.000 0.428 197 Y N 0.212 120.579 120.300 0.112 0.000 2.314 197 Y HA 0.160 4.710 4.550 0.000 0.000 0.334 197 Y C 1.109 176.937 175.900 -0.120 0.000 1.266 197 Y CA 0.274 58.382 58.100 0.013 0.000 1.391 197 Y CB 1.012 39.566 38.460 0.156 0.000 1.306 197 Y HN 0.051 nan 8.280 nan 0.000 0.558 198 T N 3.974 118.309 114.554 -0.365 0.000 2.863 198 T HA 0.564 4.914 4.350 0.000 0.000 0.285 198 T C -0.706 173.715 174.700 -0.465 0.000 1.009 198 T CA -0.654 61.129 62.100 -0.529 0.000 0.989 198 T CB 0.703 68.883 68.868 -1.148 0.000 1.004 198 T HN 0.325 nan 8.240 nan 0.000 0.455 199 I N 3.533 123.962 120.570 -0.235 0.000 2.354 199 I HA 0.544 4.714 4.170 0.000 0.000 0.286 199 I C 0.197 176.244 176.117 -0.117 0.000 1.007 199 I CA -0.356 60.758 61.300 -0.309 0.000 1.167 199 I CB 1.054 38.824 38.000 -0.385 0.000 1.320 199 I HN 0.738 nan 8.210 nan 0.000 0.458 200 S N 5.815 121.518 115.700 0.005 0.000 2.643 200 S HA 0.587 5.057 4.470 0.000 0.000 0.270 200 S C -0.742 173.896 174.600 0.064 0.000 1.166 200 S CA -1.237 57.018 58.200 0.093 0.000 0.815 200 S CB 2.037 65.391 63.200 0.257 0.000 1.139 200 S HN 0.379 nan 8.310 nan 0.000 0.472 201 R N 0.529 121.050 120.500 0.035 0.000 2.679 201 R HA 0.357 4.697 4.340 0.000 0.000 0.269 201 R C 1.368 177.664 176.300 -0.007 0.000 1.076 201 R CA -0.419 55.686 56.100 0.008 0.000 1.160 201 R CB -0.203 30.092 30.300 -0.007 0.000 1.054 201 R HN 0.772 nan 8.270 nan 0.000 0.507 202 L N 0.847 122.051 121.223 -0.031 0.000 2.079 202 L HA -0.219 4.121 4.340 0.000 0.000 0.210 202 L C 2.183 178.969 176.870 -0.140 0.000 1.081 202 L CA 1.878 56.662 54.840 -0.094 0.000 0.752 202 L CB -0.576 41.415 42.059 -0.113 0.000 0.896 202 L HN 0.665 nan 8.230 nan 0.000 0.433 203 S N -1.076 114.562 115.700 -0.102 0.000 2.507 203 S HA -0.119 4.351 4.470 0.000 0.000 0.235 203 S C 1.449 176.004 174.600 -0.074 0.000 0.988 203 S CA 0.713 58.856 58.200 -0.095 0.000 0.944 203 S CB -0.191 62.966 63.200 -0.071 0.000 0.762 203 S HN 0.523 nan 8.310 nan 0.000 0.526 204 E N 0.402 120.570 120.200 -0.053 0.000 2.460 204 E HA 0.295 4.645 4.350 0.000 0.000 0.200 204 E C 1.462 178.053 176.600 -0.014 0.000 1.011 204 E CA -0.049 56.344 56.400 -0.012 0.000 0.912 204 E CB -0.051 29.671 29.700 0.038 0.000 0.953 204 E HN 0.524 nan 8.360 nan 0.000 0.494 205 I N 1.275 121.764 120.570 -0.135 0.000 2.163 205 I HA -0.324 3.846 4.170 0.000 0.000 0.243 205 I C 2.688 178.665 176.117 -0.233 0.000 1.085 205 I CA 1.237 62.336 61.300 -0.335 0.000 1.347 205 I CB -0.275 37.285 38.000 -0.734 0.000 1.044 205 I HN 0.080 nan 8.210 nan 0.000 0.408 206 R N 1.185 121.570 120.500 -0.192 0.000 2.096 206 R HA -0.190 4.150 4.340 0.000 0.000 0.240 206 R C 2.246 178.503 176.300 -0.072 0.000 1.139 206 R CA 2.014 58.031 56.100 -0.140 0.000 0.952 206 R CB -0.616 29.614 30.300 -0.116 0.000 0.854 206 R HN 0.438 nan 8.270 nan 0.000 0.436 207 G N -0.044 108.734 108.800 -0.037 0.000 2.534 207 G HA2 -0.104 3.857 3.960 0.000 0.000 0.217 207 G HA3 -0.104 3.857 3.960 0.000 0.000 0.217 207 G C 1.259 176.177 174.900 0.031 0.000 1.128 207 G CA 0.220 45.317 45.100 -0.005 0.000 0.784 207 G HN 0.274 nan 8.290 nan 0.000 0.542 208 L N -0.647 120.624 121.223 0.079 0.000 2.590 208 L HA 0.277 4.617 4.340 0.000 0.000 0.227 208 L C 2.460 179.445 176.870 0.193 0.000 1.099 208 L CA -0.153 54.782 54.840 0.158 0.000 0.872 208 L CB -0.023 42.212 42.059 0.293 0.000 1.088 208 L HN 0.143 nan 8.230 nan 0.000 0.479 209 M N 0.883 120.565 119.600 0.136 0.000 2.082 209 M HA -0.269 4.211 4.480 0.000 0.000 0.258 209 M C 2.216 178.518 176.300 0.002 0.000 1.069 209 M CA 1.940 57.292 55.300 0.086 0.000 1.102 209 M CB -0.345 32.212 32.600 -0.072 0.000 1.336 209 M HN 0.043 nan 8.290 nan 0.000 0.404 210 K N -0.575 119.815 120.400 -0.016 0.000 2.044 210 K HA -0.211 4.109 4.320 0.000 0.000 0.210 210 K C 1.675 178.258 176.600 -0.028 0.000 1.049 210 K CA 1.796 58.065 56.287 -0.031 0.000 0.927 210 K CB -0.133 32.355 32.500 -0.020 0.000 0.713 210 K HN 0.326 nan 8.250 nan 0.000 0.443 211 E N -0.162 120.032 120.200 -0.011 0.000 2.285 211 E HA -0.072 4.278 4.350 0.000 0.000 0.194 211 E C 1.733 178.302 176.600 -0.051 0.000 0.997 211 E CA 0.870 57.259 56.400 -0.017 0.000 0.845 211 E CB 0.020 29.719 29.700 -0.001 0.000 0.782 211 E HN 0.434 nan 8.360 nan 0.000 0.491 212 A N 0.944 123.721 122.820 -0.072 0.000 2.014 212 A HA -0.002 4.318 4.320 0.000 0.000 0.218 212 A C 1.425 178.832 177.584 -0.296 0.000 1.163 212 A CA 0.216 52.145 52.037 -0.180 0.000 0.652 212 A CB -0.222 18.670 19.000 -0.181 0.000 0.808 212 A HN 0.110 nan 8.150 nan 0.000 0.449 213 I N 2.577 122.995 120.570 -0.253 0.000 2.278 213 I HA 0.112 4.282 4.170 0.000 0.000 0.296 213 I C 0.443 176.531 176.117 -0.049 0.000 1.121 213 I CA -0.291 60.820 61.300 -0.314 0.000 1.267 213 I CB 0.534 38.403 38.000 -0.218 0.000 1.447 213 I HN 0.237 nan 8.210 nan 0.000 0.509 214 T N 3.622 118.235 114.554 0.099 0.000 2.902 214 T HA 0.475 4.825 4.350 0.000 0.000 0.280 214 T C -2.468 172.361 174.700 0.216 0.000 0.992 214 T CA -2.200 59.992 62.100 0.154 0.000 1.015 214 T CB 1.136 70.094 68.868 0.149 0.000 1.044 214 T HN 0.134 nan 8.240 nan 0.000 0.520 215 P HA 0.234 nan 4.420 nan 0.000 0.265 215 P C -0.466 176.918 177.300 0.140 0.000 1.193 215 P CA -0.129 63.048 63.100 0.127 0.000 0.765 215 P CB 0.308 32.063 31.700 0.093 0.000 0.823 216 N N 0.664 119.434 118.700 0.116 0.000 2.405 216 N HA 0.060 4.800 4.740 0.000 0.000 0.274 216 N C 0.926 176.490 175.510 0.090 0.000 1.170 216 N CA -0.310 52.804 53.050 0.107 0.000 0.848 216 N CB 1.598 40.099 38.487 0.023 0.000 1.629 216 N HN 0.235 nan 8.380 nan 0.000 0.481 217 S N 0.901 116.668 115.700 0.113 0.000 2.387 217 S HA -0.103 4.367 4.470 0.000 0.000 0.230 217 S C 0.799 175.390 174.600 -0.015 0.000 1.035 217 S CA 1.004 59.225 58.200 0.035 0.000 1.014 217 S CB -0.148 63.069 63.200 0.028 0.000 0.836 217 S HN 0.505 nan 8.310 nan 0.000 0.466 218 S N 1.259 116.976 115.700 0.029 0.000 2.750 218 S HA 0.480 4.950 4.470 0.000 0.000 0.276 218 S C -1.406 173.223 174.600 0.049 0.000 1.165 218 S CA -0.826 57.409 58.200 0.059 0.000 1.047 218 S CB 1.007 64.293 63.200 0.143 0.000 1.056 218 S HN 0.652 nan 8.310 nan 0.000 0.481 219 Q N 1.962 121.812 119.800 0.083 0.000 2.340 219 Q HA 0.626 4.966 4.340 0.000 0.000 0.276 219 Q C -1.600 174.463 176.000 0.105 0.000 1.048 219 Q CA -1.053 54.806 55.803 0.094 0.000 0.832 219 Q CB 1.801 30.610 28.738 0.119 0.000 1.373 219 Q HN 0.365 nan 8.270 nan 0.000 0.409 220 T N 2.765 117.363 114.554 0.073 0.000 3.198 220 T HA 0.376 4.726 4.350 0.000 0.000 0.352 220 T C -2.726 171.851 174.700 -0.205 0.000 1.197 220 T CA -0.983 61.116 62.100 -0.002 0.000 1.427 220 T CB 0.974 69.884 68.868 0.070 0.000 0.983 220 T HN 0.389 nan 8.240 nan 0.000 0.560 221 P HA 0.271 nan 4.420 nan 0.000 0.272 221 P C 0.166 177.237 177.300 -0.381 0.000 1.223 221 P CA -0.493 62.414 63.100 -0.321 0.000 0.784 221 P CB 0.402 31.957 31.700 -0.241 0.000 0.923 222 F N -1.260 118.377 119.950 -0.521 0.000 2.784 222 F HA 0.510 5.037 4.527 0.000 0.000 0.323 222 F C 0.221 175.756 175.800 -0.442 0.000 1.085 222 F CA -0.340 57.364 58.000 -0.493 0.000 1.196 222 F CB 0.194 38.785 39.000 -0.681 0.000 1.053 222 F HN 0.228 nan 8.300 nan 0.000 0.578 223 S N 0.159 115.384 115.700 -0.792 0.000 2.537 223 S HA 0.188 4.658 4.470 0.000 0.000 0.271 223 S C -0.017 174.312 174.600 -0.452 0.000 1.148 223 S CA -0.443 57.446 58.200 -0.518 0.000 0.868 223 S CB 1.687 64.561 63.200 -0.544 0.000 1.115 223 S HN 0.334 nan 8.310 nan 0.000 0.461 224 Q N 1.353 120.991 119.800 -0.271 0.000 2.437 224 Q HA -0.006 4.334 4.340 0.000 0.000 0.210 224 Q C 0.799 176.641 176.000 -0.262 0.000 0.972 224 Q CA 1.674 57.343 55.803 -0.223 0.000 0.903 224 Q CB -0.053 28.601 28.738 -0.139 0.000 0.967 224 Q HN 0.794 nan 8.270 nan 0.000 0.486 225 T N -3.901 110.479 114.554 -0.291 0.000 3.393 225 T HA 0.417 4.767 4.350 0.000 0.000 0.298 225 T C 0.167 174.698 174.700 -0.282 0.000 1.004 225 T CA -0.176 61.750 62.100 -0.291 0.000 0.956 225 T CB 0.800 69.544 68.868 -0.207 0.000 1.182 225 T HN 0.159 nan 8.240 nan 0.000 0.497 226 G N 1.415 109.944 108.800 -0.452 0.000 2.348 226 G HA2 0.625 4.585 3.960 0.000 0.000 0.312 226 G HA3 0.625 4.585 3.960 0.000 0.000 0.312 226 G C -0.389 174.301 174.900 -0.350 0.000 1.126 226 G CA -0.508 44.290 45.100 -0.504 0.000 0.865 226 G HN 0.893 nan 8.290 nan 0.000 0.474 227 V N -0.190 119.715 119.914 -0.015 0.000 3.130 227 V HA 0.679 4.799 4.120 0.000 0.000 0.310 227 V C -0.437 175.811 176.094 0.257 0.000 1.158 227 V CA -1.215 61.147 62.300 0.104 0.000 1.029 227 V CB 1.573 33.474 31.823 0.129 0.000 1.057 227 V HN 0.740 nan 8.190 nan 0.000 0.436 228 Q N 0.747 120.715 119.800 0.280 0.000 2.180 228 Q HA 0.669 5.009 4.340 0.000 0.000 0.241 228 Q C -0.173 175.969 176.000 0.236 0.000 0.970 228 Q CA -0.337 55.681 55.803 0.358 0.000 0.919 228 Q CB 1.847 30.789 28.738 0.340 0.000 1.222 228 Q HN 1.049 nan 8.270 nan 0.000 0.482 229 T N -2.871 111.810 114.554 0.212 0.000 2.932 229 T HA 0.723 5.073 4.350 0.000 0.000 0.289 229 T C -0.474 174.252 174.700 0.043 0.000 1.039 229 T CA -0.913 61.260 62.100 0.121 0.000 1.024 229 T CB 1.428 70.424 68.868 0.213 0.000 1.090 229 T HN 0.626 nan 8.240 nan 0.000 0.496 230 A N 1.927 124.551 122.820 -0.327 0.000 2.450 230 A HA 0.555 4.875 4.320 0.000 0.000 0.255 230 A C -0.124 177.400 177.584 -0.101 0.000 1.096 230 A CA -0.584 51.206 52.037 -0.410 0.000 0.778 230 A CB -0.316 18.208 19.000 -0.792 0.000 1.031 230 A HN 0.935 nan 8.150 nan 0.000 0.494 231 L N 3.122 124.298 121.223 -0.078 0.000 2.275 231 L HA 0.717 5.057 4.340 0.000 0.000 0.288 231 L C -0.299 176.558 176.870 -0.021 0.000 1.046 231 L CA -0.347 54.477 54.840 -0.026 0.000 0.805 231 L CB 1.339 43.293 42.059 -0.175 0.000 1.193 231 L HN 0.771 nan 8.230 nan 0.000 0.426 232 M N 5.971 125.616 119.600 0.075 0.000 2.336 232 M HA 0.675 5.156 4.480 0.000 0.000 0.342 232 M C -1.222 175.231 176.300 0.254 0.000 1.128 232 M CA 0.053 55.400 55.300 0.078 0.000 1.016 232 M CB 1.422 33.983 32.600 -0.066 0.000 1.665 232 M HN 0.656 nan 8.290 nan 0.000 0.445 233 M N 3.126 122.831 119.600 0.175 0.000 2.531 233 M HA 0.480 4.960 4.480 0.000 0.000 0.286 233 M C -1.269 175.076 176.300 0.075 0.000 1.232 233 M CA -0.784 54.626 55.300 0.183 0.000 0.877 233 M CB 2.818 35.490 32.600 0.120 0.000 1.726 233 M HN 0.582 nan 8.290 nan 0.000 0.463 234 K N 1.564 121.974 120.400 0.017 0.000 2.463 234 K HA 0.545 4.865 4.320 0.000 0.000 0.255 234 K C -0.898 175.546 176.600 -0.262 0.000 0.942 234 K CA -0.380 55.768 56.287 -0.232 0.000 0.814 234 K CB 1.726 34.168 32.500 -0.097 0.000 1.122 234 K HN 0.809 nan 8.250 nan 0.000 0.425 235 T N 0.098 114.407 114.554 -0.408 0.000 2.918 235 T HA 0.194 4.544 4.350 0.000 0.000 0.283 235 T C 0.623 175.242 174.700 -0.134 0.000 1.001 235 T CA -0.565 61.359 62.100 -0.293 0.000 1.041 235 T CB 1.124 69.748 68.868 -0.406 0.000 1.028 235 T HN 0.463 nan 8.240 nan 0.000 0.511 236 D N 0.711 121.110 120.400 -0.003 0.000 2.264 236 D HA -0.035 4.605 4.640 0.000 0.000 0.208 236 D C 1.088 177.379 176.300 -0.015 0.000 0.966 236 D CA 0.970 54.969 54.000 -0.001 0.000 0.864 236 D CB -0.110 40.711 40.800 0.035 0.000 0.933 236 D HN 0.823 nan 8.370 nan 0.000 0.499 237 D N -1.051 119.339 120.400 -0.016 0.000 2.561 237 D HA 0.220 4.860 4.640 0.000 0.000 0.232 237 D C 1.236 177.522 176.300 -0.023 0.000 1.198 237 D CA -0.072 53.925 54.000 -0.004 0.000 0.826 237 D CB -0.291 40.525 40.800 0.026 0.000 0.992 237 D HN 0.110 nan 8.370 nan 0.000 0.490 238 G N 0.123 108.874 108.800 -0.081 0.000 2.143 238 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 238 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 238 G C -0.080 174.723 174.900 -0.163 0.000 0.991 238 G CA 0.274 45.313 45.100 -0.102 0.000 0.689 238 G HN 0.433 nan 8.290 nan 0.000 0.522 239 L N -0.997 120.073 121.223 -0.255 0.000 2.334 239 L HA 0.732 5.072 4.340 0.000 0.000 0.270 239 L C -0.133 176.427 176.870 -0.517 0.000 1.018 239 L CA -1.398 53.290 54.840 -0.253 0.000 0.811 239 L CB 1.377 43.348 42.059 -0.148 0.000 1.271 239 L HN 0.057 nan 8.230 nan 0.000 0.443 240 Y N 1.927 122.133 120.300 -0.157 0.000 2.331 240 Y HA 0.564 5.114 4.550 0.000 0.000 0.334 240 Y C -0.176 175.626 175.900 -0.162 0.000 0.960 240 Y CA -0.411 57.592 58.100 -0.162 0.000 1.130 240 Y CB 1.657 40.018 38.460 -0.166 0.000 1.164 240 Y HN 0.270 nan 8.280 nan 0.000 0.458 241 I N 3.792 124.345 120.570 -0.029 0.000 2.465 241 I HA 0.331 4.501 4.170 0.000 0.000 0.291 241 I C -0.803 175.309 176.117 -0.008 0.000 1.014 241 I CA -0.835 60.448 61.300 -0.028 0.000 1.093 241 I CB 1.859 39.839 38.000 -0.033 0.000 1.267 241 I HN 0.577 nan 8.210 nan 0.000 0.431 242 N N 7.679 126.371 118.700 -0.015 0.000 2.354 242 N HA 0.501 5.241 4.740 0.000 0.000 0.287 242 N C -1.694 173.787 175.510 -0.048 0.000 1.016 242 N CA -0.419 52.610 53.050 -0.035 0.000 0.871 242 N CB 1.838 40.303 38.487 -0.037 0.000 1.299 242 N HN 0.541 nan 8.380 nan 0.000 0.482 243 L N 3.180 124.337 121.223 -0.111 0.000 2.296 243 L HA 0.473 4.813 4.340 0.000 0.000 0.286 243 L C -0.259 176.556 176.870 -0.091 0.000 1.023 243 L CA -0.607 54.112 54.840 -0.201 0.000 0.812 243 L CB 1.372 43.166 42.059 -0.441 0.000 1.223 243 L HN 0.633 nan 8.230 nan 0.000 0.421 244 H N 1.837 120.796 119.070 -0.185 0.000 3.054 244 H HA 0.510 5.066 4.556 0.000 0.000 0.271 244 H C -1.604 173.679 175.328 -0.075 0.000 1.551 244 H CA -0.776 55.209 56.048 -0.104 0.000 1.196 244 H CB 1.621 31.344 29.762 -0.066 0.000 1.867 244 H HN 0.656 nan 8.280 nan 0.000 0.637 245 E N 0.656 120.605 120.200 -0.418 0.000 2.416 245 E HA 0.785 5.135 4.350 0.000 0.000 0.273 245 E C -1.642 174.708 176.600 -0.416 0.000 0.935 245 E CA -1.449 54.773 56.400 -0.297 0.000 0.784 245 E CB 2.895 32.507 29.700 -0.147 0.000 1.301 245 E HN 0.659 nan 8.360 nan 0.000 0.454 246 A N 0.855 123.584 122.820 -0.152 0.000 2.449 246 A HA 0.736 5.056 4.320 0.000 0.000 0.302 246 A C -0.174 177.436 177.584 0.044 0.000 1.048 246 A CA -0.368 51.615 52.037 -0.090 0.000 0.708 246 A CB 1.415 20.356 19.000 -0.098 0.000 1.274 246 A HN 1.835 nan 8.150 nan 0.000 0.410 247 A N 0.235 123.075 122.820 0.034 0.000 2.734 247 A HA -0.081 4.239 4.320 0.000 0.000 0.296 247 A C -0.009 177.614 177.584 0.064 0.000 1.474 247 A CA 0.663 52.746 52.037 0.076 0.000 0.735 247 A CB -2.215 16.874 19.000 0.148 0.000 1.062 247 A HN 2.114 nan 8.150 nan 0.000 0.463 248 L N 0.913 122.173 121.223 0.062 0.000 2.462 248 L HA 0.546 4.886 4.340 0.000 0.000 0.283 248 L C -0.133 176.818 176.870 0.134 0.000 1.166 248 L CA 0.349 55.246 54.840 0.095 0.000 0.964 248 L CB 0.414 42.535 42.059 0.103 0.000 1.294 248 L HN 0.489 nan 8.230 nan 0.000 0.449 249 V N 3.671 123.662 119.914 0.128 0.000 2.709 249 V HA 0.381 4.501 4.120 0.000 0.000 0.308 249 V C -0.354 175.833 176.094 0.155 0.000 1.062 249 V CA -0.977 61.404 62.300 0.136 0.000 0.901 249 V CB 1.832 33.726 31.823 0.118 0.000 1.003 249 V HN 0.612 nan 8.190 nan 0.000 0.425 250 D N 2.380 122.868 120.400 0.146 0.000 2.697 250 D HA -0.230 4.410 4.640 0.000 0.000 0.235 250 D C -0.812 175.640 176.300 0.254 0.000 1.167 250 D CA 1.381 55.469 54.000 0.146 0.000 0.656 250 D CB -0.642 40.224 40.800 0.109 0.000 1.025 250 D HN 0.585 nan 8.370 nan 0.000 0.419 251 Y N -1.077 119.262 120.300 0.066 0.000 2.677 251 Y HA 0.302 4.852 4.550 0.000 0.000 0.334 251 Y C -0.666 175.289 175.900 0.091 0.000 1.196 251 Y CA -0.736 57.405 58.100 0.068 0.000 1.059 251 Y CB 1.301 39.801 38.460 0.065 0.000 1.315 251 Y HN -0.128 nan 8.280 nan 0.000 0.455 252 S N 1.502 117.122 115.700 -0.133 0.000 2.586 252 S HA 0.326 4.796 4.470 0.000 0.000 0.274 252 S C -0.342 174.346 174.600 0.146 0.000 1.281 252 S CA -0.480 57.723 58.200 0.004 0.000 1.035 252 S CB 0.306 63.434 63.200 -0.120 0.000 0.962 252 S HN 0.824 nan 8.310 nan 0.000 0.512 253 C N 7.047 126.453 119.300 0.177 0.000 2.642 253 C HA 0.294 4.754 4.460 0.000 0.000 0.420 253 C C 0.556 175.536 174.990 -0.016 0.000 1.349 253 C CA -0.310 58.777 59.018 0.114 0.000 1.821 253 C CB -1.246 26.583 27.740 0.147 0.000 2.637 253 C HN 0.897 nan 8.230 nan 0.000 0.605 254 M N 7.108 126.693 119.600 -0.024 0.000 2.188 254 M HA 0.412 4.893 4.480 0.000 0.000 0.357 254 M C -0.371 175.851 176.300 -0.129 0.000 1.204 254 M CA 0.105 55.415 55.300 0.017 0.000 1.095 254 M CB 0.355 33.051 32.600 0.160 0.000 1.604 254 M HN 0.815 nan 8.290 nan 0.000 0.464 255 H N 4.346 123.623 119.070 0.344 0.000 2.771 255 H HA 0.643 5.199 4.556 0.000 0.000 0.344 255 H C -1.195 174.378 175.328 0.409 0.000 1.260 255 H CA -0.709 55.571 56.048 0.386 0.000 1.276 255 H CB 1.536 31.601 29.762 0.504 0.000 1.881 255 H HN 0.639 nan 8.280 nan 0.000 0.615 256 L N 1.380 122.941 121.223 0.563 0.000 2.386 256 L HA 0.282 4.622 4.340 0.000 0.000 0.271 256 L C -0.322 176.894 176.870 0.577 0.000 0.993 256 L CA -0.760 54.391 54.840 0.518 0.000 0.819 256 L CB 1.861 44.102 42.059 0.302 0.000 1.294 256 L HN 0.436 nan 8.230 nan 0.000 0.414 257 N N 2.528 121.582 118.700 0.590 0.000 2.392 257 N HA 0.477 5.217 4.740 0.000 0.000 0.283 257 N C -1.307 174.395 175.510 0.320 0.000 1.003 257 N CA -0.477 52.831 53.050 0.430 0.000 0.892 257 N CB 1.612 40.404 38.487 0.508 0.000 1.193 257 N HN 0.404 nan 8.380 nan 0.000 0.487 258 L N 2.721 124.002 121.223 0.097 0.000 2.276 258 L HA 0.424 4.764 4.340 0.000 0.000 0.286 258 L C -0.507 176.273 176.870 -0.149 0.000 1.061 258 L CA -0.322 54.392 54.840 -0.210 0.000 0.807 258 L CB 0.856 42.635 42.059 -0.468 0.000 1.177 258 L HN 0.531 nan 8.230 nan 0.000 0.429 259 D N 3.302 123.611 120.400 -0.151 0.000 2.441 259 D HA 0.088 4.728 4.640 0.000 0.000 0.221 259 D C 0.101 176.303 176.300 -0.164 0.000 1.156 259 D CA -0.319 53.628 54.000 -0.088 0.000 0.896 259 D CB 0.810 41.591 40.800 -0.032 0.000 1.028 259 D HN 0.651 nan 8.370 nan 0.000 0.509 260 D N 2.698 123.002 120.400 -0.160 0.000 2.324 260 D HA -0.082 4.558 4.640 0.000 0.000 0.235 260 D C 1.076 177.302 176.300 -0.123 0.000 1.095 260 D CA 0.185 54.080 54.000 -0.174 0.000 0.871 260 D CB 0.281 40.979 40.800 -0.171 0.000 0.906 260 D HN 0.411 nan 8.370 nan 0.000 0.522 261 K N 0.168 120.511 120.400 -0.095 0.000 2.190 261 K HA 0.074 4.394 4.320 0.000 0.000 0.202 261 K C 1.038 177.595 176.600 -0.072 0.000 1.045 261 K CA 0.189 56.434 56.287 -0.070 0.000 0.976 261 K CB 0.308 32.779 32.500 -0.048 0.000 0.849 261 K HN -0.095 nan 8.250 nan 0.000 0.468 262 N N 0.758 119.415 118.700 -0.072 0.000 2.280 262 N HA 0.050 4.791 4.740 0.000 0.000 0.192 262 N C -0.331 175.126 175.510 -0.089 0.000 1.109 262 N CA 0.224 53.235 53.050 -0.064 0.000 0.855 262 N CB 0.629 39.093 38.487 -0.040 0.000 0.974 262 N HN 0.132 nan 8.380 nan 0.000 0.482 263 M N 0.496 120.012 119.600 -0.140 0.000 2.298 263 M HA -0.145 4.335 4.480 0.000 0.000 0.196 263 M C -1.170 175.026 176.300 -0.174 0.000 0.531 263 M CA 0.431 55.607 55.300 -0.206 0.000 0.459 263 M CB -2.451 30.037 32.600 -0.186 0.000 1.279 263 M HN -0.263 nan 8.290 nan 0.000 0.915 264 V N 0.939 120.756 119.914 -0.161 0.000 2.448 264 V HA 0.560 4.680 4.120 0.000 0.000 0.295 264 V C 0.084 176.161 176.094 -0.029 0.000 1.025 264 V CA -0.618 61.670 62.300 -0.020 0.000 0.859 264 V CB 1.989 33.841 31.823 0.048 0.000 0.988 264 V HN 0.279 nan 8.190 nan 0.000 0.431 265 F N 2.910 123.017 119.950 0.261 0.000 2.394 265 F HA 0.570 5.097 4.527 0.000 0.000 0.340 265 F C 0.477 176.559 175.800 0.470 0.000 1.105 265 F CA -0.233 57.961 58.000 0.324 0.000 1.124 265 F CB 1.331 40.520 39.000 0.314 0.000 1.145 265 F HN 0.492 nan 8.300 nan 0.000 0.505 266 E N 1.015 121.597 120.200 0.638 0.000 2.293 266 E HA 0.381 4.731 4.350 0.000 0.000 0.270 266 E C -1.045 175.911 176.600 0.594 0.000 0.879 266 E CA -0.878 55.869 56.400 0.578 0.000 0.756 266 E CB 1.545 31.503 29.700 0.431 0.000 1.208 266 E HN 0.613 nan 8.360 nan 0.000 0.428 267 S N 3.643 119.684 115.700 0.568 0.000 2.563 267 S HA -0.009 4.461 4.470 0.000 0.000 0.294 267 S C -0.487 174.349 174.600 0.394 0.000 1.279 267 S CA -0.515 57.976 58.200 0.485 0.000 1.069 267 S CB 0.351 63.806 63.200 0.426 0.000 0.828 267 S HN 0.539 nan 8.310 nan 0.000 0.497 268 W N 5.763 127.173 121.300 0.183 0.000 2.591 268 W HA 0.406 5.066 4.660 0.000 0.000 0.311 268 W C -1.581 174.958 176.519 0.034 0.000 1.003 268 W CA -1.323 56.048 57.345 0.044 0.000 1.332 268 W CB 0.686 30.124 29.460 -0.037 0.000 1.272 268 W HN 0.695 nan 8.180 nan 0.000 0.412 269 L N 3.743 124.986 121.223 0.032 0.000 2.466 269 L HA 0.353 4.693 4.340 0.000 0.000 0.257 269 L C 1.048 177.962 176.870 0.073 0.000 1.189 269 L CA -0.100 54.775 54.840 0.058 0.000 0.813 269 L CB 0.503 42.513 42.059 -0.082 0.000 1.118 269 L HN 0.145 nan 8.230 nan 0.000 0.471 270 T N 2.528 117.125 114.554 0.071 0.000 2.749 270 T HA 0.262 4.612 4.350 0.000 0.000 0.295 270 T C -2.264 172.305 174.700 -0.218 0.000 0.936 270 T CA -0.962 61.070 62.100 -0.113 0.000 1.060 270 T CB 0.899 69.861 68.868 0.156 0.000 0.904 270 T HN 0.398 nan 8.240 nan 0.000 0.500 271 P HA 0.216 nan 4.420 nan 0.000 0.277 271 P C -0.590 176.695 177.300 -0.024 0.000 1.240 271 P CA -0.504 62.496 63.100 -0.167 0.000 0.798 271 P CB 0.841 32.456 31.700 -0.142 0.000 0.979 272 D N 0.758 121.151 120.400 -0.011 0.000 2.478 272 D HA 0.183 4.823 4.640 0.000 0.000 0.274 272 D C 1.314 177.576 176.300 -0.064 0.000 1.234 272 D CA -0.659 53.326 54.000 -0.025 0.000 1.069 272 D CB -0.485 40.303 40.800 -0.020 0.000 1.113 272 D HN 0.286 nan 8.370 nan 0.000 0.571 273 A N -0.815 121.917 122.820 -0.148 0.000 2.125 273 A HA -0.153 4.167 4.320 0.000 0.000 0.219 273 A C 1.704 179.236 177.584 -0.087 0.000 1.156 273 A CA 1.244 53.188 52.037 -0.156 0.000 0.671 273 A CB -0.595 18.271 19.000 -0.224 0.000 0.794 273 A HN 0.531 nan 8.150 nan 0.000 0.459 274 K N -2.041 118.323 120.400 -0.061 0.000 2.358 274 K HA 0.309 4.629 4.320 0.000 0.000 0.200 274 K C 0.992 177.589 176.600 -0.005 0.000 1.030 274 K CA 0.444 56.713 56.287 -0.029 0.000 1.097 274 K CB 0.387 32.874 32.500 -0.021 0.000 0.862 274 K HN 0.554 nan 8.250 nan 0.000 0.534 275 G N 1.604 110.404 108.800 -0.001 0.000 2.175 275 G HA2 -0.195 3.765 3.960 0.000 0.000 0.244 275 G HA3 -0.195 3.765 3.960 0.000 0.000 0.244 275 G C -0.306 174.573 174.900 -0.036 0.000 0.982 275 G CA -0.111 44.988 45.100 -0.001 0.000 0.641 275 G HN 0.261 nan 8.290 nan 0.000 0.527 276 D N 0.203 120.588 120.400 -0.025 0.000 2.329 276 D HA 0.470 5.110 4.640 0.000 0.000 0.246 276 D C 0.921 177.171 176.300 -0.083 0.000 1.111 276 D CA 0.045 54.010 54.000 -0.059 0.000 0.941 276 D CB 0.744 41.528 40.800 -0.026 0.000 1.169 276 D HN 0.298 nan 8.370 nan 0.000 0.441 277 K N 0.101 120.409 120.400 -0.152 0.000 2.896 277 K HA 0.451 4.771 4.320 0.000 0.000 0.210 277 K C -0.085 176.359 176.600 -0.260 0.000 1.116 277 K CA -0.528 55.645 56.287 -0.189 0.000 1.050 277 K CB 1.202 33.564 32.500 -0.230 0.000 0.812 277 K HN 0.581 nan 8.250 nan 0.000 0.462 278 G N 1.150 109.825 108.800 -0.207 0.000 2.404 278 G HA2 -0.052 3.908 3.960 0.000 0.000 0.230 278 G HA3 -0.052 3.908 3.960 0.000 0.000 0.230 278 G C -1.791 172.935 174.900 -0.290 0.000 1.516 278 G CA -0.986 43.963 45.100 -0.251 0.000 1.026 278 G HN 0.079 nan 8.290 nan 0.000 0.660 279 Y N 3.290 123.483 120.300 -0.178 0.000 2.404 279 Y HA 0.670 5.220 4.550 0.000 0.000 0.344 279 Y C 0.811 176.564 175.900 -0.244 0.000 0.970 279 Y CA -0.655 57.343 58.100 -0.169 0.000 1.180 279 Y CB 1.271 39.695 38.460 -0.060 0.000 1.138 279 Y HN 0.434 nan 8.280 nan 0.000 0.510 280 M N 3.098 122.423 119.600 -0.458 0.000 2.644 280 M HA 0.448 4.928 4.480 0.000 0.000 0.316 280 M C -0.786 175.195 176.300 -0.531 0.000 1.200 280 M CA -0.818 54.100 55.300 -0.636 0.000 0.944 280 M CB 1.963 33.687 32.600 -1.459 0.000 1.691 280 M HN 0.572 nan 8.290 nan 0.000 0.471 281 Q N 1.544 121.120 119.800 -0.374 0.000 2.275 281 Q HA 0.357 4.697 4.340 0.000 0.000 0.258 281 Q C -1.056 174.819 176.000 -0.209 0.000 0.960 281 Q CA -0.280 55.270 55.803 -0.421 0.000 0.801 281 Q CB 1.862 30.323 28.738 -0.461 0.000 1.302 281 Q HN 0.907 nan 8.270 nan 0.000 0.433 282 T N 1.656 116.144 114.554 -0.110 0.000 2.918 282 T HA 0.428 4.778 4.350 0.000 0.000 0.302 282 T C -2.139 172.548 174.700 -0.022 0.000 1.045 282 T CA -1.027 61.095 62.100 0.036 0.000 1.114 282 T CB 0.698 69.638 68.868 0.121 0.000 0.965 282 T HN 0.389 nan 8.240 nan 0.000 0.540 283 P HA 0.411 nan 4.420 nan 0.000 0.280 283 P C -0.445 176.901 177.300 0.077 0.000 1.244 283 P CA -0.515 62.625 63.100 0.067 0.000 0.784 283 P CB 0.264 31.988 31.700 0.039 0.000 0.913 284 C N 1.200 120.595 119.300 0.157 0.000 3.311 284 C HA 0.675 5.135 4.460 0.000 0.000 0.325 284 C C -1.159 173.962 174.990 0.218 0.000 1.352 284 C CA -0.812 58.304 59.018 0.164 0.000 1.308 284 C CB 1.673 29.507 27.740 0.157 0.000 1.619 284 C HN 0.522 nan 8.230 nan 0.000 0.469 285 N N 0.346 119.106 118.700 0.101 0.000 2.321 285 N HA 0.698 5.438 4.740 0.000 0.000 0.290 285 N C -0.467 174.989 175.510 -0.090 0.000 1.212 285 N CA -0.164 52.850 53.050 -0.060 0.000 0.767 285 N CB 2.235 40.582 38.487 -0.233 0.000 1.494 285 N HN 1.033 nan 8.380 nan 0.000 0.479 286 T N -2.132 112.289 114.554 -0.221 0.000 2.847 286 T HA 0.532 4.882 4.350 0.000 0.000 0.279 286 T C -2.504 171.871 174.700 -0.541 0.000 0.984 286 T CA -1.374 60.389 62.100 -0.563 0.000 0.988 286 T CB 1.063 69.720 68.868 -0.352 0.000 1.040 286 T HN 0.131 nan 8.240 nan 0.000 0.528 287 P HA 0.268 nan 4.420 nan 0.000 0.275 287 P C -0.759 176.353 177.300 -0.314 0.000 1.266 287 P CA -0.673 62.248 63.100 -0.299 0.000 0.793 287 P CB 0.332 31.937 31.700 -0.158 0.000 1.074 288 W N 0.361 121.523 121.300 -0.230 0.000 2.237 288 W HA 0.411 5.071 4.660 0.000 0.000 0.335 288 W C 0.512 176.832 176.519 -0.332 0.000 1.230 288 W CA 0.249 57.422 57.345 -0.287 0.000 1.253 288 W CB 0.288 29.602 29.460 -0.244 0.000 1.129 288 W HN 0.061 nan 8.180 nan 0.000 0.590 289 R N 1.093 121.415 120.500 -0.296 0.000 2.494 289 R HA 0.531 4.871 4.340 0.000 0.000 0.305 289 R C -0.296 175.829 176.300 -0.292 0.000 0.959 289 R CA -0.638 55.233 56.100 -0.381 0.000 0.864 289 R CB 1.279 31.126 30.300 -0.755 0.000 1.159 289 R HN 0.416 nan 8.270 nan 0.000 0.446 290 T N -0.379 114.127 114.554 -0.080 0.000 2.887 290 T HA 0.723 5.073 4.350 0.000 0.000 0.288 290 T C -0.112 174.639 174.700 0.085 0.000 1.021 290 T CA -0.776 61.332 62.100 0.014 0.000 1.000 290 T CB 1.058 69.914 68.868 -0.020 0.000 1.034 290 T HN 0.364 nan 8.240 nan 0.000 0.467 291 I N 2.852 123.518 120.570 0.160 0.000 2.466 291 I HA 0.391 4.561 4.170 0.000 0.000 0.279 291 I C -0.607 175.576 176.117 0.111 0.000 1.033 291 I CA -0.697 60.710 61.300 0.177 0.000 1.123 291 I CB 1.215 39.420 38.000 0.341 0.000 1.237 291 I HN 0.576 nan 8.210 nan 0.000 0.460 292 I N 6.661 127.254 120.570 0.039 0.000 2.331 292 I HA 0.522 4.692 4.170 0.000 0.000 0.292 292 I C -0.433 175.663 176.117 -0.034 0.000 0.998 292 I CA -0.738 60.557 61.300 -0.008 0.000 1.267 292 I CB 1.780 39.752 38.000 -0.046 0.000 1.386 292 I HN 0.264 nan 8.210 nan 0.000 0.476 293 V N 5.466 125.328 119.914 -0.086 0.000 2.971 293 V HA 0.799 4.919 4.120 0.000 0.000 0.309 293 V C -0.954 174.893 176.094 -0.413 0.000 1.130 293 V CA 0.020 62.193 62.300 -0.212 0.000 0.964 293 V CB 2.449 34.133 31.823 -0.232 0.000 1.029 293 V HN 0.835 nan 8.190 nan 0.000 0.427 294 S N 2.373 117.812 115.700 -0.435 0.000 2.595 294 S HA 0.417 4.887 4.470 0.000 0.000 0.270 294 S C -0.845 173.698 174.600 -0.094 0.000 1.145 294 S CA 0.192 58.156 58.200 -0.394 0.000 0.825 294 S CB 1.850 64.990 63.200 -0.100 0.000 1.107 294 S HN 1.086 nan 8.310 nan 0.000 0.461 295 D N 0.698 121.183 120.400 0.142 0.000 2.339 295 D HA 0.229 4.869 4.640 0.000 0.000 0.217 295 D C -0.149 176.316 176.300 0.274 0.000 1.050 295 D CA 0.091 54.243 54.000 0.253 0.000 0.856 295 D CB 0.136 41.115 40.800 0.298 0.000 0.922 295 D HN 0.304 nan 8.370 nan 0.000 0.518 296 D N 0.129 120.630 120.400 0.167 0.000 2.505 296 D HA 0.408 5.048 4.640 0.000 0.000 0.250 296 D C 0.953 177.145 176.300 -0.179 0.000 1.164 296 D CA -0.617 53.402 54.000 0.033 0.000 0.870 296 D CB 1.828 42.650 40.800 0.036 0.000 1.160 296 D HN -0.041 nan 8.370 nan 0.000 0.549 297 A N 4.631 127.103 122.820 -0.580 0.000 1.986 297 A HA -0.219 4.101 4.320 0.000 0.000 0.220 297 A C 1.976 179.400 177.584 -0.267 0.000 1.171 297 A CA 1.277 52.842 52.037 -0.787 0.000 0.640 297 A CB -0.211 18.109 19.000 -1.135 0.000 0.811 297 A HN 0.669 nan 8.150 nan 0.000 0.451 298 R N -0.399 119.975 120.500 -0.210 0.000 2.127 298 R HA -0.127 4.213 4.340 0.000 0.000 0.238 298 R C 1.738 177.866 176.300 -0.287 0.000 1.134 298 R CA 1.565 57.540 56.100 -0.209 0.000 0.975 298 R CB -0.464 29.795 30.300 -0.067 0.000 0.865 298 R HN 0.718 nan 8.270 nan 0.000 0.447 299 N N 0.145 118.736 118.700 -0.182 0.000 2.396 299 N HA -0.077 4.663 4.740 0.000 0.000 0.180 299 N C 1.347 176.734 175.510 -0.205 0.000 1.028 299 N CA 0.314 53.272 53.050 -0.154 0.000 0.893 299 N CB 0.123 38.574 38.487 -0.061 0.000 0.967 299 N HN 0.096 nan 8.380 nan 0.000 0.440 300 I N 1.075 121.518 120.570 -0.212 0.000 2.286 300 I HA -0.165 4.005 4.170 0.000 0.000 0.245 300 I C 2.026 177.943 176.117 -0.333 0.000 1.104 300 I CA 1.093 62.283 61.300 -0.183 0.000 1.397 300 I CB -0.969 37.007 38.000 -0.040 0.000 1.072 300 I HN 0.207 nan 8.210 nan 0.000 0.417 301 L N 0.614 121.491 121.223 -0.578 0.000 2.141 301 L HA -0.104 4.237 4.340 0.000 0.000 0.209 301 L C 2.605 178.951 176.870 -0.873 0.000 1.094 301 L CA 1.129 55.440 54.840 -0.880 0.000 0.763 301 L CB -0.637 40.606 42.059 -1.360 0.000 0.908 301 L HN 0.159 nan 8.230 nan 0.000 0.437 302 A N -0.970 121.394 122.820 -0.760 0.000 2.119 302 A HA -0.048 4.272 4.320 0.000 0.000 0.216 302 A C 1.492 178.971 177.584 -0.175 0.000 1.152 302 A CA 0.306 52.146 52.037 -0.327 0.000 0.708 302 A CB -0.240 18.691 19.000 -0.116 0.000 0.805 302 A HN 0.287 nan 8.150 nan 0.000 0.460 303 S N 0.011 115.587 115.700 -0.206 0.000 2.549 303 S HA 0.210 4.680 4.470 0.000 0.000 0.286 303 S C 0.730 175.236 174.600 -0.157 0.000 1.314 303 S CA -0.273 57.830 58.200 -0.162 0.000 1.062 303 S CB 0.168 63.269 63.200 -0.165 0.000 0.865 303 S HN 0.396 nan 8.310 nan 0.000 0.498 304 R N 4.165 124.570 120.500 -0.159 0.000 2.629 304 R HA 0.300 4.640 4.340 0.000 0.000 0.386 304 R C 1.195 177.373 176.300 -0.203 0.000 1.071 304 R CA -0.130 55.892 56.100 -0.130 0.000 1.104 304 R CB -0.535 29.716 30.300 -0.083 0.000 1.370 304 R HN 0.677 nan 8.270 nan 0.000 0.574 305 I N 0.393 120.751 120.570 -0.354 0.000 2.208 305 I HA -0.278 3.892 4.170 0.000 0.000 0.245 305 I C 1.720 177.613 176.117 -0.374 0.000 1.097 305 I CA 1.604 62.541 61.300 -0.605 0.000 1.363 305 I CB -0.245 37.376 38.000 -0.631 0.000 1.051 305 I HN 0.080 nan 8.210 nan 0.000 0.413 306 T N 1.434 115.861 114.554 -0.212 0.000 2.652 306 T HA -0.178 4.172 4.350 0.000 0.000 0.267 306 T C 1.950 176.582 174.700 -0.113 0.000 1.039 306 T CA 1.401 63.417 62.100 -0.140 0.000 1.153 306 T CB -0.432 68.415 68.868 -0.035 0.000 0.863 306 T HN 0.243 nan 8.240 nan 0.000 0.428 307 L N 1.038 122.240 121.223 -0.035 0.000 2.046 307 L HA -0.090 4.250 4.340 0.000 0.000 0.208 307 L C 2.601 179.491 176.870 0.033 0.000 1.077 307 L CA 0.927 55.803 54.840 0.060 0.000 0.747 307 L CB -0.597 41.596 42.059 0.223 0.000 0.896 307 L HN 0.210 nan 8.230 nan 0.000 0.432 308 N N 0.193 118.918 118.700 0.041 0.000 2.289 308 N HA -0.120 4.620 4.740 0.000 0.000 0.184 308 N C 1.725 177.121 175.510 -0.190 0.000 1.016 308 N CA 1.127 54.199 53.050 0.037 0.000 0.872 308 N CB -0.103 38.446 38.487 0.103 0.000 0.973 308 N HN 0.352 nan 8.380 nan 0.000 0.433 309 L N -0.040 120.982 121.223 -0.335 0.000 2.599 309 L HA 0.084 4.424 4.340 0.000 0.000 0.230 309 L C 0.524 177.177 176.870 -0.361 0.000 1.141 309 L CA 0.103 54.584 54.840 -0.598 0.000 0.877 309 L CB -0.127 41.358 42.059 -0.956 0.000 1.009 309 L HN 0.054 nan 8.230 nan 0.000 0.447 310 N N 0.397 118.955 118.700 -0.237 0.000 2.493 310 N HA 0.119 4.859 4.740 0.000 0.000 0.275 310 N C -0.123 175.260 175.510 -0.212 0.000 1.186 310 N CA -0.446 52.511 53.050 -0.155 0.000 0.978 310 N CB 1.043 39.452 38.487 -0.130 0.000 1.184 310 N HN -0.011 nan 8.380 nan 0.000 0.487 311 E N 1.379 121.488 120.200 -0.152 0.000 2.398 311 E HA 0.192 4.542 4.350 0.000 0.000 0.263 311 E C -2.037 174.392 176.600 -0.285 0.000 1.046 311 E CA -1.442 54.849 56.400 -0.182 0.000 0.908 311 E CB -0.129 29.501 29.700 -0.116 0.000 0.963 311 E HN 0.292 nan 8.360 nan 0.000 0.431 312 P HA -0.074 nan 4.420 nan 0.000 0.269 312 P C 0.015 177.136 177.300 -0.298 0.000 1.217 312 P CA -0.254 62.636 63.100 -0.351 0.000 0.783 312 P CB 0.449 31.994 31.700 -0.257 0.000 0.898 313 C N 3.253 122.382 119.300 -0.284 0.000 2.378 313 C HA -0.058 4.402 4.460 0.000 0.000 0.395 313 C C 1.392 176.248 174.990 -0.224 0.000 1.476 313 C CA 0.644 59.514 59.018 -0.247 0.000 1.541 313 C CB -1.592 26.050 27.740 -0.163 0.000 2.524 313 C HN 0.531 nan 8.230 nan 0.000 0.595 314 K N 4.438 124.655 120.400 -0.304 0.000 2.358 314 K HA 0.285 4.605 4.320 0.000 0.000 0.200 314 K C -0.106 176.453 176.600 -0.069 0.000 1.030 314 K CA 0.241 56.399 56.287 -0.215 0.000 1.097 314 K CB 0.274 32.578 32.500 -0.328 0.000 0.862 314 K HN 0.688 nan 8.250 nan 0.000 0.534 315 I N 1.580 122.125 120.570 -0.041 0.000 2.313 315 I HA 0.120 4.290 4.170 0.000 0.000 0.286 315 I C 1.271 177.426 176.117 0.064 0.000 1.091 315 I CA -0.388 60.966 61.300 0.091 0.000 1.216 315 I CB 1.218 39.303 38.000 0.143 0.000 1.434 315 I HN 0.059 nan 8.210 nan 0.000 0.487 316 A N 5.046 127.910 122.820 0.074 0.000 1.927 316 A HA -0.235 4.085 4.320 0.000 0.000 0.220 316 A C 1.710 179.339 177.584 0.075 0.000 1.185 316 A CA 2.269 54.340 52.037 0.057 0.000 0.639 316 A CB -0.318 18.716 19.000 0.057 0.000 0.820 316 A HN 0.814 nan 8.150 nan 0.000 0.451 317 D N -0.951 119.537 120.400 0.147 0.000 2.427 317 D HA 0.446 5.086 4.640 0.000 0.000 0.224 317 D C 1.281 177.668 176.300 0.144 0.000 1.157 317 D CA 0.629 54.735 54.000 0.176 0.000 0.828 317 D CB -0.322 40.626 40.800 0.245 0.000 0.974 317 D HN 0.319 nan 8.370 nan 0.000 0.498 318 A N 1.394 124.206 122.820 -0.013 0.000 1.903 318 A HA -0.152 4.169 4.320 0.000 0.000 0.219 318 A C 2.419 179.784 177.584 -0.364 0.000 1.191 318 A CA 2.424 54.249 52.037 -0.354 0.000 0.638 318 A CB -1.022 17.832 19.000 -0.243 0.000 0.823 318 A HN 0.431 nan 8.150 nan 0.000 0.451 319 A N -0.048 122.686 122.820 -0.143 0.000 2.076 319 A HA -0.071 4.249 4.320 0.000 0.000 0.220 319 A C 2.388 179.946 177.584 -0.043 0.000 1.160 319 A CA 2.263 54.249 52.037 -0.085 0.000 0.653 319 A CB -0.843 18.136 19.000 -0.035 0.000 0.801 319 A HN 1.132 nan 8.150 nan 0.000 0.455 320 S N -1.424 114.286 115.700 0.018 0.000 2.470 320 S HA -0.051 4.419 4.470 0.000 0.000 0.225 320 S C 1.545 176.272 174.600 0.212 0.000 1.006 320 S CA 0.794 59.066 58.200 0.121 0.000 0.934 320 S CB -0.466 62.845 63.200 0.186 0.000 0.778 320 S HN 1.008 nan 8.310 nan 0.000 0.517 321 W N 0.142 121.460 121.300 0.030 0.000 2.977 321 W HA 0.479 5.139 4.660 -0.000 0.000 0.236 321 W C -0.711 175.830 176.519 0.037 0.000 1.053 321 W CA -0.329 57.032 57.345 0.025 0.000 1.375 321 W CB -0.025 29.447 29.460 0.021 0.000 0.814 321 W HN -0.073 nan 8.180 nan 0.000 0.713 322 V N 4.889 124.484 119.914 -0.531 0.000 2.521 322 V HA 0.186 4.306 4.120 0.000 0.000 0.286 322 V C 0.260 176.291 176.094 -0.106 0.000 1.034 322 V CA 0.486 62.550 62.300 -0.394 0.000 1.045 322 V CB 0.244 31.770 31.823 -0.496 0.000 0.974 322 V HN 0.166 nan 8.190 nan 0.000 0.480 323 K N 4.540 124.902 120.400 -0.063 0.000 2.562 323 K HA 0.629 4.949 4.320 0.000 0.000 0.267 323 K C -3.328 173.184 176.600 -0.146 0.000 0.938 323 K CA -1.964 54.284 56.287 -0.065 0.000 0.840 323 K CB 1.920 34.396 32.500 -0.040 0.000 1.390 323 K HN 0.238 nan 8.250 nan 0.000 0.428 324 P HA 0.079 nan 4.420 nan 0.000 0.269 324 P C -1.096 176.098 177.300 -0.177 0.000 1.217 324 P CA -0.519 62.431 63.100 -0.250 0.000 0.783 324 P CB 0.616 32.173 31.700 -0.239 0.000 0.898 325 V N 2.067 121.883 119.914 -0.162 0.000 2.569 325 V HA 0.329 4.449 4.120 0.000 0.000 0.301 325 V C -0.171 175.944 176.094 0.036 0.000 1.044 325 V CA -0.605 61.650 62.300 -0.075 0.000 0.874 325 V CB 1.770 33.529 31.823 -0.107 0.000 1.002 325 V HN 0.412 nan 8.190 nan 0.000 0.424 326 K N 4.999 125.444 120.400 0.074 0.000 2.235 326 K HA 0.686 5.006 4.320 0.000 0.000 0.266 326 K C -1.358 175.516 176.600 0.457 0.000 0.980 326 K CA -0.489 55.903 56.287 0.175 0.000 0.849 326 K CB 1.384 33.825 32.500 -0.099 0.000 1.098 326 K HN 0.774 nan 8.250 nan 0.000 0.445 327 Y N 2.515 122.993 120.300 0.298 0.000 2.644 327 Y HA 0.630 5.180 4.550 0.000 0.000 0.338 327 Y C -0.834 175.136 175.900 0.118 0.000 1.119 327 Y CA -1.396 56.857 58.100 0.255 0.000 1.060 327 Y CB 1.014 39.532 38.460 0.096 0.000 1.294 327 Y HN 0.460 nan 8.280 nan 0.000 0.472 328 I N -0.537 120.024 120.570 -0.015 0.000 3.294 328 I HA 1.116 5.286 4.170 0.000 0.000 0.311 328 I C -0.380 175.804 176.117 0.112 0.000 1.111 328 I CA -1.393 59.828 61.300 -0.132 0.000 0.976 328 I CB 2.333 40.226 38.000 -0.179 0.000 1.260 328 I HN 1.029 nan 8.210 nan 0.000 0.474 329 G N 0.395 109.309 108.800 0.189 0.000 2.519 329 G HA2 0.441 4.401 3.960 0.000 0.000 0.292 329 G HA3 0.441 4.401 3.960 0.000 0.000 0.292 329 G C -1.741 173.182 174.900 0.038 0.000 1.507 329 G CA -0.634 44.562 45.100 0.160 0.000 0.806 329 G HN 0.503 nan 8.290 nan 0.000 0.523 330 V N 1.284 121.031 119.914 -0.279 0.000 2.352 330 V HA 0.375 4.495 4.120 0.000 0.000 0.253 330 V C 0.306 176.356 176.094 -0.073 0.000 1.083 330 V CA 0.754 62.783 62.300 -0.451 0.000 0.993 330 V CB 0.135 31.642 31.823 -0.526 0.000 1.111 330 V HN 0.825 nan 8.190 nan 0.000 0.490 331 W N 3.968 125.150 121.300 -0.197 0.000 5.450 331 W HA 0.103 4.763 4.660 -0.000 0.000 0.164 331 W C 1.675 178.144 176.519 -0.083 0.000 1.291 331 W CA -0.086 57.169 57.345 -0.150 0.000 1.920 331 W CB -0.357 29.086 29.460 -0.029 0.000 0.571 331 W HN 0.434 nan 8.180 nan 0.000 1.104 332 W N 2.640 123.759 121.300 -0.303 0.000 2.331 332 W HA -0.225 4.435 4.660 -0.000 0.000 0.291 332 W C 1.238 177.461 176.519 -0.493 0.000 1.214 332 W CA 2.205 59.222 57.345 -0.546 0.000 1.228 332 W CB -0.200 29.135 29.460 -0.208 0.000 1.135 332 W HN -0.085 nan 8.180 nan 0.000 0.537 333 D N 0.385 120.614 120.400 -0.286 0.000 2.106 333 D HA -0.246 4.394 4.640 0.000 0.000 0.191 333 D C 2.003 177.953 176.300 -0.584 0.000 0.997 333 D CA 2.349 56.122 54.000 -0.378 0.000 0.834 333 D CB -0.625 39.993 40.800 -0.304 0.000 0.956 333 D HN 0.146 nan 8.370 nan 0.000 0.448 334 M N -0.261 118.855 119.600 -0.807 0.000 2.200 334 M HA -0.036 4.445 4.480 0.000 0.000 0.265 334 M C 1.976 177.712 176.300 -0.941 0.000 1.066 334 M CA 0.583 55.200 55.300 -1.138 0.000 1.127 334 M CB -0.143 31.130 32.600 -2.211 0.000 1.379 334 M HN 0.010 nan 8.290 nan 0.000 0.420 335 I N 0.214 120.241 120.570 -0.906 0.000 2.286 335 I HA -0.230 3.940 4.170 0.000 0.000 0.248 335 I C 2.351 178.094 176.117 -0.624 0.000 1.115 335 I CA 2.043 62.942 61.300 -0.669 0.000 1.392 335 I CB -1.794 35.571 38.000 -1.058 0.000 1.065 335 I HN 0.435 nan 8.210 nan 0.000 0.418 336 T N -2.312 111.724 114.554 -0.864 0.000 3.067 336 T HA 0.233 4.583 4.350 0.000 0.000 0.261 336 T C 1.603 176.064 174.700 -0.397 0.000 1.110 336 T CA 0.825 62.497 62.100 -0.714 0.000 1.113 336 T CB 0.304 68.642 68.868 -0.885 0.000 0.917 336 T HN 0.473 nan 8.240 nan 0.000 0.499 337 G N 1.421 109.996 108.800 -0.374 0.000 2.179 337 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 337 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 337 G C 0.718 175.478 174.900 -0.233 0.000 0.990 337 G CA 0.536 45.488 45.100 -0.247 0.000 0.646 337 G HN 0.619 nan 8.290 nan 0.000 0.517 338 K N 0.543 120.774 120.400 -0.280 0.000 2.057 338 K HA 0.203 4.523 4.320 0.000 0.000 0.207 338 K C 1.547 178.020 176.600 -0.211 0.000 1.049 338 K CA 1.670 57.827 56.287 -0.218 0.000 0.931 338 K CB -0.260 32.108 32.500 -0.219 0.000 0.714 338 K HN 0.595 nan 8.250 nan 0.000 0.440 339 G N -0.582 108.046 108.800 -0.285 0.000 2.788 339 G HA2 0.432 4.392 3.960 0.000 0.000 0.293 339 G HA3 0.432 4.392 3.960 0.000 0.000 0.293 339 G C -1.293 173.408 174.900 -0.331 0.000 1.305 339 G CA -0.599 44.333 45.100 -0.279 0.000 1.005 339 G HN 0.295 nan 8.290 nan 0.000 0.496 340 S N -1.537 114.000 115.700 -0.271 0.000 2.599 340 S HA 0.440 4.910 4.470 0.000 0.000 0.294 340 S C 0.124 174.611 174.600 -0.188 0.000 1.094 340 S CA -0.820 57.264 58.200 -0.195 0.000 0.931 340 S CB 1.777 64.970 63.200 -0.012 0.000 1.093 340 S HN 0.670 nan 8.310 nan 0.000 0.488 341 W N 0.885 122.093 121.300 -0.153 0.000 2.523 341 W HA 0.277 4.938 4.660 0.000 0.000 0.278 341 W C 1.304 177.809 176.519 -0.022 0.000 1.236 341 W CA 0.404 57.535 57.345 -0.357 0.000 1.306 341 W CB -0.491 28.468 29.460 -0.836 0.000 1.101 341 W HN 0.903 nan 8.180 nan 0.000 0.577 342 A N -0.071 122.949 122.820 0.333 0.000 2.386 342 A HA 0.040 4.360 4.320 0.000 0.000 0.248 342 A C 0.286 177.714 177.584 -0.261 0.000 1.082 342 A CA -0.079 52.073 52.037 0.191 0.000 0.789 342 A CB 0.355 19.512 19.000 0.261 0.000 1.025 342 A HN 0.333 nan 8.150 nan 0.000 0.490 343 Y N 1.507 121.294 120.300 -0.855 0.000 2.347 343 Y HA 0.187 4.737 4.550 0.000 0.000 0.294 343 Y C 1.198 176.854 175.900 -0.407 0.000 1.117 343 Y CA 1.799 59.223 58.100 -1.126 0.000 1.184 343 Y CB 0.277 37.712 38.460 -1.707 0.000 1.047 343 Y HN 0.661 nan 8.280 nan 0.000 0.546 344 T N -0.814 113.707 114.554 -0.055 0.000 2.903 344 T HA 0.295 4.645 4.350 0.000 0.000 0.299 344 T C -0.768 173.965 174.700 0.054 0.000 1.093 344 T CA -0.667 61.434 62.100 0.003 0.000 1.002 344 T CB 1.405 70.382 68.868 0.182 0.000 1.127 344 T HN 0.087 nan 8.240 nan 0.000 0.488 345 D N 0.944 121.358 120.400 0.023 0.000 2.469 345 D HA 0.122 4.762 4.640 0.000 0.000 0.215 345 D C 1.498 177.819 176.300 0.034 0.000 1.154 345 D CA 0.089 54.111 54.000 0.038 0.000 0.832 345 D CB 0.611 41.420 40.800 0.015 0.000 1.008 345 D HN 0.844 nan 8.370 nan 0.000 0.506 346 E N 0.107 120.328 120.200 0.035 0.000 2.435 346 E HA 0.034 4.384 4.350 0.000 0.000 0.195 346 E C 0.332 176.946 176.600 0.023 0.000 1.029 346 E CA 0.262 56.677 56.400 0.025 0.000 0.865 346 E CB 0.310 30.023 29.700 0.021 0.000 0.833 346 E HN 0.168 nan 8.360 nan 0.000 0.510 347 L N 1.907 123.150 121.223 0.034 0.000 2.322 347 L HA 0.245 4.585 4.340 0.000 0.000 0.279 347 L C 1.393 178.274 176.870 0.017 0.000 1.036 347 L CA -0.417 54.433 54.840 0.016 0.000 0.807 347 L CB 1.700 43.761 42.059 0.004 0.000 1.226 347 L HN 0.063 nan 8.230 nan 0.000 0.433 348 T N -2.583 111.971 114.554 0.001 0.000 2.995 348 T HA 0.019 4.369 4.350 0.000 0.000 0.269 348 T C 0.640 175.337 174.700 -0.005 0.000 1.091 348 T CA 0.615 62.715 62.100 -0.000 0.000 1.128 348 T CB -0.032 68.831 68.868 -0.009 0.000 0.891 348 T HN 0.692 nan 8.240 nan 0.000 0.492 349 S N -0.413 115.279 115.700 -0.014 0.000 2.627 349 S HA 0.585 5.055 4.470 0.000 0.000 0.268 349 S C -1.270 173.303 174.600 -0.046 0.000 1.130 349 S CA -0.499 57.684 58.200 -0.028 0.000 0.819 349 S CB 1.434 64.608 63.200 -0.044 0.000 1.100 349 S HN 1.050 nan 8.310 nan 0.000 0.465 350 V N -1.436 118.438 119.914 -0.067 0.000 3.040 350 V HA 0.875 4.995 4.120 0.000 0.000 0.312 350 V C -1.323 174.689 176.094 -0.135 0.000 1.115 350 V CA -0.926 61.311 62.300 -0.106 0.000 0.998 350 V CB 1.813 33.596 31.823 -0.066 0.000 1.042 350 V HN 1.063 nan 8.190 nan 0.000 0.433 351 K N 3.247 123.557 120.400 -0.150 0.000 2.613 351 K HA 0.551 4.871 4.320 0.000 0.000 0.248 351 K C -1.158 175.354 176.600 -0.146 0.000 0.959 351 K CA -0.637 55.570 56.287 -0.133 0.000 0.855 351 K CB 2.123 34.582 32.500 -0.068 0.000 1.143 351 K HN 0.711 nan 8.250 nan 0.000 0.437 352 L N 1.699 122.777 121.223 -0.243 0.000 2.540 352 L HA -0.011 4.329 4.340 0.000 0.000 0.276 352 L C 1.378 178.240 176.870 -0.013 0.000 1.212 352 L CA 0.990 55.694 54.840 -0.228 0.000 0.893 352 L CB -0.023 41.675 42.059 -0.603 0.000 1.138 352 L HN 1.111 nan 8.230 nan 0.000 0.491 353 G N 2.128 110.927 108.800 -0.002 0.000 2.195 353 G HA2 -0.243 3.718 3.960 0.000 0.000 0.246 353 G HA3 -0.243 3.718 3.960 0.000 0.000 0.246 353 G C 0.665 175.570 174.900 0.009 0.000 0.984 353 G CA 0.446 45.572 45.100 0.042 0.000 0.633 353 G HN 0.735 nan 8.290 nan 0.000 0.525 354 E N -0.944 119.238 120.200 -0.030 0.000 2.475 354 E HA 0.119 4.469 4.350 0.000 0.000 0.205 354 E C 0.386 176.929 176.600 -0.095 0.000 0.822 354 E CA 0.396 56.768 56.400 -0.046 0.000 1.240 354 E CB 0.477 30.153 29.700 -0.039 0.000 1.222 354 E HN 0.277 nan 8.360 nan 0.000 0.581 355 T N 2.303 116.759 114.554 -0.163 0.000 2.799 355 T HA 0.038 4.388 4.350 0.000 0.000 0.296 355 T C -0.436 174.086 174.700 -0.297 0.000 0.947 355 T CA 0.217 62.145 62.100 -0.287 0.000 1.141 355 T CB 0.496 69.072 68.868 -0.485 0.000 0.891 355 T HN -0.035 nan 8.240 nan 0.000 0.533 356 D N 2.593 122.863 120.400 -0.217 0.000 2.485 356 D HA 0.149 4.789 4.640 0.000 0.000 0.221 356 D C 0.381 176.623 176.300 -0.097 0.000 1.112 356 D CA -0.565 53.370 54.000 -0.107 0.000 0.911 356 D CB 0.221 40.997 40.800 -0.041 0.000 1.019 356 D HN 0.491 nan 8.370 nan 0.000 0.516 357 Y N 1.333 121.621 120.300 -0.020 0.000 2.315 357 Y HA -0.235 4.316 4.550 0.000 0.000 0.288 357 Y C 2.678 178.554 175.900 -0.041 0.000 1.154 357 Y CA 1.387 59.456 58.100 -0.052 0.000 1.229 357 Y CB -0.291 38.069 38.460 -0.167 0.000 0.980 357 Y HN 0.423 nan 8.280 nan 0.000 0.540 358 S N -0.107 115.664 115.700 0.117 0.000 2.442 358 S HA -0.168 4.302 4.470 0.000 0.000 0.236 358 S C 1.455 176.128 174.600 0.121 0.000 1.007 358 S CA 1.079 59.344 58.200 0.108 0.000 0.965 358 S CB -0.300 62.950 63.200 0.083 0.000 0.773 358 S HN 0.478 nan 8.310 nan 0.000 0.504 359 K N 1.830 122.287 120.400 0.095 0.000 2.387 359 K HA 0.124 4.444 4.320 0.000 0.000 0.198 359 K C 0.407 177.061 176.600 0.090 0.000 1.022 359 K CA 0.348 56.680 56.287 0.075 0.000 1.128 359 K CB 0.537 33.058 32.500 0.036 0.000 0.853 359 K HN 0.630 nan 8.250 nan 0.000 0.523 360 T N -1.172 113.475 114.554 0.156 0.000 2.928 360 T HA 0.233 4.583 4.350 0.000 0.000 0.284 360 T C -0.239 174.572 174.700 0.185 0.000 1.008 360 T CA -0.937 61.265 62.100 0.170 0.000 1.057 360 T CB 1.979 70.990 68.868 0.238 0.000 1.018 360 T HN -0.073 nan 8.240 nan 0.000 0.493 361 K N 2.523 122.978 120.400 0.090 0.000 2.312 361 K HA 0.317 4.637 4.320 0.000 0.000 0.287 361 K C -2.544 174.006 176.600 -0.083 0.000 1.062 361 K CA -1.934 54.364 56.287 0.019 0.000 0.934 361 K CB 0.097 32.598 32.500 0.001 0.000 1.027 361 K HN 0.336 nan 8.250 nan 0.000 0.478 362 P HA -0.016 nan 4.420 nan 0.000 0.266 362 P C -0.538 176.600 177.300 -0.269 0.000 1.195 362 P CA -0.066 62.749 63.100 -0.476 0.000 0.768 362 P CB 0.535 31.977 31.700 -0.430 0.000 0.838 363 N N 1.982 120.517 118.700 -0.275 0.000 2.467 363 N HA 0.019 4.759 4.740 0.000 0.000 0.184 363 N C 1.230 176.668 175.510 -0.122 0.000 1.106 363 N CA 0.773 53.734 53.050 -0.149 0.000 0.892 363 N CB -0.745 37.675 38.487 -0.112 0.000 0.969 363 N HN 0.585 nan 8.380 nan 0.000 0.454 364 G N -0.056 108.658 108.800 -0.144 0.000 2.155 364 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 364 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 364 G C 0.581 175.430 174.900 -0.086 0.000 0.983 364 G CA 0.738 45.777 45.100 -0.101 0.000 0.676 364 G HN 0.535 nan 8.290 nan 0.000 0.528 365 K N -0.574 119.773 120.400 -0.088 0.000 2.477 365 K HA 0.131 4.451 4.320 0.000 0.000 0.208 365 K C 0.496 177.051 176.600 -0.076 0.000 1.117 365 K CA -0.523 55.712 56.287 -0.087 0.000 1.039 365 K CB 0.602 33.049 32.500 -0.088 0.000 0.937 365 K HN 0.550 nan 8.250 nan 0.000 0.570 366 H N 1.196 120.156 119.070 -0.183 0.000 3.160 366 H HA 0.096 4.652 4.556 0.000 0.000 0.257 366 H C 0.156 175.404 175.328 -0.133 0.000 1.140 366 H CA -0.038 55.903 56.048 -0.179 0.000 1.492 366 H CB 0.722 30.359 29.762 -0.208 0.000 1.529 366 H HN 0.075 nan 8.280 nan 0.000 0.490 367 S N 3.506 118.984 115.700 -0.370 0.000 2.423 367 S HA -0.076 4.394 4.470 0.000 0.000 0.231 367 S C 1.483 175.852 174.600 -0.385 0.000 1.014 367 S CA 0.673 58.668 58.200 -0.341 0.000 0.965 367 S CB 0.176 63.176 63.200 -0.333 0.000 0.785 367 S HN 0.709 nan 8.310 nan 0.000 0.495 368 A N 2.944 125.383 122.820 -0.634 0.000 3.077 368 A HA 0.335 4.655 4.320 0.000 0.000 0.255 368 A C 0.210 177.771 177.584 -0.039 0.000 1.728 368 A CA -0.700 51.156 52.037 -0.302 0.000 1.383 368 A CB -1.072 17.793 19.000 -0.226 0.000 1.097 368 A HN 0.617 nan 8.150 nan 0.000 0.634 369 N N -1.834 116.866 118.700 -0.000 0.000 2.319 369 N HA 0.411 5.151 4.740 0.000 0.000 0.305 369 N C 0.648 176.197 175.510 0.066 0.000 1.103 369 N CA -0.204 52.919 53.050 0.122 0.000 0.815 369 N CB 0.732 39.266 38.487 0.077 0.000 1.288 369 N HN -0.065 nan 8.380 nan 0.000 0.493 370 T N 0.567 115.134 114.554 0.023 0.000 2.620 370 T HA -0.317 4.033 4.350 0.000 0.000 0.267 370 T C 1.838 176.493 174.700 -0.075 0.000 1.044 370 T CA 2.432 64.479 62.100 -0.090 0.000 1.161 370 T CB -0.772 68.037 68.868 -0.098 0.000 0.862 370 T HN 0.747 nan 8.240 nan 0.000 0.438 371 A N 1.665 124.458 122.820 -0.045 0.000 1.908 371 A HA -0.196 4.124 4.320 0.000 0.000 0.218 371 A C 2.218 179.795 177.584 -0.011 0.000 1.181 371 A CA 2.206 54.215 52.037 -0.048 0.000 0.627 371 A CB -0.904 18.080 19.000 -0.027 0.000 0.818 371 A HN 0.521 nan 8.150 nan 0.000 0.445 372 N N -0.181 118.528 118.700 0.015 0.000 2.142 372 N HA -0.110 4.630 4.740 0.000 0.000 0.186 372 N C 1.452 177.036 175.510 0.125 0.000 1.023 372 N CA 1.651 54.742 53.050 0.068 0.000 0.852 372 N CB -0.323 38.177 38.487 0.022 0.000 0.998 372 N HN 0.152 nan 8.380 nan 0.000 0.424 373 V N 0.910 120.850 119.914 0.044 0.000 2.407 373 V HA -0.196 3.924 4.120 0.000 0.000 0.248 373 V C 2.171 178.347 176.094 0.136 0.000 1.055 373 V CA 1.530 63.867 62.300 0.060 0.000 1.049 373 V CB -0.438 31.408 31.823 0.038 0.000 0.662 373 V HN 0.359 nan 8.190 nan 0.000 0.455 374 K N -0.279 120.150 120.400 0.047 0.000 2.147 374 K HA -0.143 4.177 4.320 0.000 0.000 0.205 374 K C 2.380 179.084 176.600 0.172 0.000 1.049 374 K CA 1.216 57.522 56.287 0.030 0.000 0.936 374 K CB -0.221 32.088 32.500 -0.319 0.000 0.722 374 K HN 0.417 nan 8.250 nan 0.000 0.446 375 R N -0.337 120.260 120.500 0.161 0.000 2.096 375 R HA -0.140 4.200 4.340 0.000 0.000 0.235 375 R C 2.093 178.516 176.300 0.206 0.000 1.127 375 R CA 1.460 57.657 56.100 0.163 0.000 0.968 375 R CB -0.284 30.083 30.300 0.112 0.000 0.861 375 R HN 0.243 nan 8.270 nan 0.000 0.440 376 Y N 0.701 121.060 120.300 0.098 0.000 2.242 376 Y HA -0.093 4.457 4.550 0.000 0.000 0.291 376 Y C 2.161 178.173 175.900 0.186 0.000 1.137 376 Y CA 0.895 59.068 58.100 0.122 0.000 1.181 376 Y CB -0.233 38.271 38.460 0.074 0.000 0.989 376 Y HN -0.024 nan 8.280 nan 0.000 0.527 377 I N -0.243 120.531 120.570 0.340 0.000 2.226 377 I HA -0.321 3.849 4.170 0.000 0.000 0.245 377 I C 1.850 178.104 176.117 0.229 0.000 1.100 377 I CA 1.452 62.915 61.300 0.271 0.000 1.374 377 I CB -0.331 37.857 38.000 0.313 0.000 1.057 377 I HN 0.189 nan 8.210 nan 0.000 0.413 378 D N 0.582 121.142 120.400 0.266 0.000 2.097 378 D HA -0.222 4.418 4.640 0.000 0.000 0.195 378 D C 1.965 178.362 176.300 0.162 0.000 0.989 378 D CA 1.401 55.517 54.000 0.193 0.000 0.827 378 D CB -0.382 40.544 40.800 0.210 0.000 0.966 378 D HN 0.244 nan 8.370 nan 0.000 0.456 379 F N 1.629 121.620 119.950 0.069 0.000 2.134 379 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 379 F C 2.272 178.178 175.800 0.176 0.000 1.097 379 F CA 1.431 59.494 58.000 0.105 0.000 1.264 379 F CB -0.260 38.745 39.000 0.009 0.000 1.001 379 F HN -0.075 nan 8.300 nan 0.000 0.479 380 A N 0.216 123.187 122.820 0.252 0.000 1.908 380 A HA -0.107 4.213 4.320 0.000 0.000 0.218 380 A C 2.389 180.081 177.584 0.179 0.000 1.181 380 A CA 1.926 54.107 52.037 0.240 0.000 0.627 380 A CB -1.556 17.583 19.000 0.232 0.000 0.818 380 A HN 0.471 nan 8.150 nan 0.000 0.445 381 A N -0.366 122.497 122.820 0.071 0.000 1.930 381 A HA 0.233 4.553 4.320 0.000 0.000 0.217 381 A C 2.445 179.970 177.584 -0.100 0.000 1.175 381 A CA 1.848 53.878 52.037 -0.011 0.000 0.627 381 A CB -0.885 18.091 19.000 -0.040 0.000 0.815 381 A HN 1.061 nan 8.150 nan 0.000 0.443 382 A N -1.588 121.111 122.820 -0.203 0.000 2.015 382 A HA -0.103 4.217 4.320 0.000 0.000 0.219 382 A C 1.668 178.881 177.584 -0.618 0.000 1.163 382 A CA 1.323 53.101 52.037 -0.432 0.000 0.646 382 A CB -0.542 18.109 19.000 -0.582 0.000 0.806 382 A HN 0.635 nan 8.150 nan 0.000 0.448 383 H N -1.727 117.273 119.070 -0.117 0.000 2.592 383 H HA 0.315 4.871 4.556 -0.000 0.000 0.279 383 H C 1.311 176.546 175.328 -0.154 0.000 1.089 383 H CA 0.333 56.321 56.048 -0.101 0.000 1.150 383 H CB 0.114 29.844 29.762 -0.053 0.000 1.575 383 H HN 0.582 nan 8.280 nan 0.000 0.547 384 G N 1.124 109.888 108.800 -0.060 0.000 2.160 384 G HA2 -0.270 3.690 3.960 0.000 0.000 0.244 384 G HA3 -0.270 3.690 3.960 0.000 0.000 0.244 384 G C -0.188 174.556 174.900 -0.259 0.000 1.022 384 G CA -0.233 44.762 45.100 -0.176 0.000 0.741 384 G HN 0.213 nan 8.290 nan 0.000 0.508 385 F N 0.314 120.226 119.950 -0.063 0.000 2.371 385 F HA 0.422 4.949 4.527 -0.000 0.000 0.329 385 F C 1.518 177.311 175.800 -0.011 0.000 1.107 385 F CA -0.233 57.752 58.000 -0.025 0.000 1.137 385 F CB 0.797 39.827 39.000 0.050 0.000 1.214 385 F HN -0.024 nan 8.300 nan 0.000 0.536 386 D N 0.798 121.298 120.400 0.166 0.000 2.216 386 D HA 0.187 4.827 4.640 0.000 0.000 0.208 386 D C 0.368 176.736 176.300 0.113 0.000 0.960 386 D CA 0.799 54.850 54.000 0.086 0.000 0.861 386 D CB 0.337 41.153 40.800 0.028 0.000 0.985 386 D HN 0.416 nan 8.370 nan 0.000 0.493 387 A N -0.012 122.923 122.820 0.191 0.000 2.593 387 A HA 0.598 4.919 4.320 0.000 0.000 0.290 387 A C -1.438 176.283 177.584 0.228 0.000 1.126 387 A CA -0.523 51.606 52.037 0.153 0.000 0.695 387 A CB 1.968 21.007 19.000 0.064 0.000 1.290 387 A HN -0.102 nan 8.150 nan 0.000 0.414 388 V N 1.137 121.156 119.914 0.175 0.000 2.525 388 V HA 0.461 4.581 4.120 0.000 0.000 0.299 388 V C -0.763 175.432 176.094 0.167 0.000 1.034 388 V CA -0.394 62.029 62.300 0.205 0.000 0.863 388 V CB 1.292 33.230 31.823 0.192 0.000 0.999 388 V HN 0.902 nan 8.190 nan 0.000 0.423 389 L N 6.772 128.119 121.223 0.207 0.000 2.350 389 L HA 0.786 5.126 4.340 0.000 0.000 0.275 389 L C -0.577 176.344 176.870 0.084 0.000 1.099 389 L CA 0.363 55.282 54.840 0.131 0.000 0.808 389 L CB 1.600 43.753 42.059 0.157 0.000 1.149 389 L HN 0.438 nan 8.230 nan 0.000 0.442 390 V N 4.556 124.521 119.914 0.085 0.000 2.569 390 V HA 0.478 4.598 4.120 0.000 0.000 0.301 390 V C -0.606 175.554 176.094 0.111 0.000 1.044 390 V CA -0.690 61.653 62.300 0.071 0.000 0.874 390 V CB 1.586 33.519 31.823 0.184 0.000 1.002 390 V HN 0.835 nan 8.190 nan 0.000 0.424 391 E N 2.472 122.681 120.200 0.015 0.000 2.207 391 E HA 0.637 4.987 4.350 0.000 0.000 0.270 391 E C 0.769 177.309 176.600 -0.100 0.000 0.927 391 E CA -0.214 56.212 56.400 0.043 0.000 0.799 391 E CB 2.033 31.702 29.700 -0.050 0.000 1.172 391 E HN 1.049 nan 8.360 nan 0.000 0.404 392 G N 2.125 110.752 108.800 -0.287 0.000 2.132 392 G HA2 -0.203 3.757 3.960 0.000 0.000 0.228 392 G HA3 -0.203 3.757 3.960 0.000 0.000 0.228 392 G C 0.446 175.391 174.900 0.074 0.000 1.000 392 G CA 0.378 45.166 45.100 -0.520 0.000 0.693 392 G HN 0.754 nan 8.290 nan 0.000 0.515 393 W N 1.266 122.480 121.300 -0.143 0.000 2.658 393 W HA 0.196 4.856 4.660 0.000 0.000 0.263 393 W C 0.361 176.701 176.519 -0.298 0.000 1.274 393 W CA 0.798 57.867 57.345 -0.460 0.000 1.343 393 W CB -0.607 28.070 29.460 -1.304 0.000 1.106 393 W HN 0.450 nan 8.180 nan 0.000 0.615 394 N N 1.654 119.558 118.700 -1.327 0.000 2.430 394 N HA 0.121 4.861 4.740 0.000 0.000 0.298 394 N C -0.623 174.092 175.510 -1.325 0.000 1.130 394 N CA -0.580 51.556 53.050 -1.524 0.000 0.894 394 N CB 1.183 38.380 38.487 -2.150 0.000 1.209 394 N HN 0.059 nan 8.380 nan 0.000 0.503 395 E N -0.626 118.825 120.200 -1.248 0.000 2.442 395 E HA 0.269 4.619 4.350 0.000 0.000 0.262 395 E C 0.621 176.920 176.600 -0.501 0.000 1.004 395 E CA 0.938 56.701 56.400 -1.062 0.000 0.928 395 E CB 0.175 29.597 29.700 -0.463 0.000 0.937 395 E HN 0.917 nan 8.360 nan 0.000 0.446 396 G N 2.177 110.856 108.800 -0.201 0.000 2.253 396 G HA2 -0.239 3.721 3.960 0.000 0.000 0.209 396 G HA3 -0.239 3.721 3.960 0.000 0.000 0.209 396 G C 0.489 175.308 174.900 -0.134 0.000 0.997 396 G CA -0.089 44.868 45.100 -0.238 0.000 0.640 396 G HN 0.687 nan 8.290 nan 0.000 0.496 397 W N 1.420 122.865 121.300 0.241 0.000 2.387 397 W HA 0.223 4.883 4.660 0.000 0.000 0.272 397 W C 2.196 178.925 176.519 0.351 0.000 1.224 397 W CA 1.429 58.980 57.345 0.343 0.000 1.210 397 W CB 0.031 29.695 29.460 0.341 0.000 1.125 397 W HN 0.377 nan 8.180 nan 0.000 0.572 398 E N -0.262 120.209 120.200 0.451 0.000 2.118 398 E HA -0.186 4.164 4.350 0.000 0.000 0.195 398 E C 0.977 177.718 176.600 0.234 0.000 0.992 398 E CA 1.514 58.117 56.400 0.338 0.000 0.804 398 E CB -0.369 29.494 29.700 0.272 0.000 0.741 398 E HN 0.152 nan 8.360 nan 0.000 0.458 399 D N -1.032 119.428 120.400 0.099 0.000 2.462 399 D HA -0.012 4.628 4.640 0.000 0.000 0.221 399 D C 0.987 177.223 176.300 -0.106 0.000 1.173 399 D CA -0.198 53.782 54.000 -0.033 0.000 0.831 399 D CB -0.420 40.297 40.800 -0.138 0.000 1.001 399 D HN 0.375 nan 8.370 nan 0.000 0.499 400 W N 0.293 121.480 121.300 -0.188 0.000 2.421 400 W HA -0.004 4.656 4.660 0.000 0.000 0.270 400 W C -0.515 175.968 176.519 -0.060 0.000 1.233 400 W CA -0.100 57.088 57.345 -0.261 0.000 1.226 400 W CB -0.641 28.682 29.460 -0.228 0.000 1.121 400 W HN -0.101 nan 8.180 nan 0.000 0.579 401 F N 1.846 121.203 119.950 -0.988 0.000 2.388 401 F HA 0.522 5.049 4.527 0.000 0.000 0.358 401 F C 1.239 176.722 175.800 -0.528 0.000 1.122 401 F CA 0.617 57.961 58.000 -1.093 0.000 1.056 401 F CB 1.054 39.212 39.000 -1.403 0.000 1.155 401 F HN 0.154 nan 8.300 nan 0.000 0.461 402 G N 4.036 112.245 108.800 -0.984 0.000 2.203 402 G HA2 -0.372 3.588 3.960 0.000 0.000 0.263 402 G HA3 -0.372 3.588 3.960 0.000 0.000 0.263 402 G C 0.694 175.392 174.900 -0.336 0.000 1.012 402 G CA 0.549 45.248 45.100 -0.667 0.000 0.749 402 G HN 0.655 nan 8.290 nan 0.000 0.512 403 N N 0.122 118.655 118.700 -0.279 0.000 2.280 403 N HA 0.133 4.873 4.740 0.000 0.000 0.192 403 N C 1.178 176.591 175.510 -0.161 0.000 1.109 403 N CA 0.964 53.903 53.050 -0.185 0.000 0.855 403 N CB 0.463 38.851 38.487 -0.164 0.000 0.974 403 N HN 0.624 nan 8.380 nan 0.000 0.482 404 S N 0.663 116.257 115.700 -0.177 0.000 3.631 404 S HA -0.224 4.246 4.470 0.000 0.000 0.366 404 S C 0.114 174.642 174.600 -0.119 0.000 0.993 404 S CA 0.427 58.546 58.200 -0.134 0.000 1.167 404 S CB -1.339 61.796 63.200 -0.109 0.000 0.909 404 S HN 0.465 nan 8.310 nan 0.000 0.478 405 K N 0.513 120.826 120.400 -0.145 0.000 2.258 405 K HA 0.240 4.560 4.320 0.000 0.000 0.284 405 K C 1.022 177.556 176.600 -0.110 0.000 1.051 405 K CA -0.358 55.846 56.287 -0.140 0.000 0.923 405 K CB 0.718 33.095 32.500 -0.204 0.000 1.046 405 K HN 0.292 nan 8.250 nan 0.000 0.474 406 D N 2.713 123.081 120.400 -0.054 0.000 2.087 406 D HA -0.215 4.425 4.640 0.000 0.000 0.201 406 D C -0.066 176.271 176.300 0.062 0.000 0.980 406 D CA 1.301 55.303 54.000 0.004 0.000 0.849 406 D CB -0.067 40.743 40.800 0.017 0.000 1.001 406 D HN 0.544 nan 8.370 nan 0.000 0.452 407 Y N 1.596 121.837 120.300 -0.098 0.000 2.667 407 Y HA 0.295 4.845 4.550 0.000 0.000 0.340 407 Y C 0.880 176.633 175.900 -0.245 0.000 1.303 407 Y CA -0.557 57.478 58.100 -0.108 0.000 1.769 407 Y CB -0.021 38.400 38.460 -0.065 0.000 1.804 407 Y HN -0.129 nan 8.280 nan 0.000 0.451 408 V N 4.349 124.033 119.914 -0.382 0.000 2.725 408 V HA 0.156 4.277 4.120 0.000 0.000 0.247 408 V C -0.344 175.002 176.094 -1.247 0.000 1.058 408 V CA 1.182 63.011 62.300 -0.784 0.000 1.080 408 V CB -0.077 31.298 31.823 -0.748 0.000 0.713 408 V HN 0.293 nan 8.190 nan 0.000 0.465 409 F N 0.287 119.761 119.950 -0.794 0.000 2.626 409 F HA 0.470 4.997 4.527 0.000 0.000 0.311 409 F C 0.258 175.305 175.800 -1.255 0.000 1.088 409 F CA -0.793 56.514 58.000 -1.156 0.000 0.949 409 F CB 1.579 39.600 39.000 -1.631 0.000 1.322 409 F HN 0.074 nan 8.300 nan 0.000 0.461 410 D N -0.739 119.117 120.400 -0.907 0.000 2.474 410 D HA 0.097 4.737 4.640 0.000 0.000 0.213 410 D C 0.590 176.653 176.300 -0.396 0.000 1.120 410 D CA -0.099 53.471 54.000 -0.717 0.000 0.836 410 D CB -0.260 40.395 40.800 -0.242 0.000 1.019 410 D HN 0.396 nan 8.370 nan 0.000 0.507 411 F N -0.304 119.399 119.950 -0.412 0.000 2.973 411 F HA -0.297 4.230 4.527 -0.000 0.000 0.299 411 F C 1.306 176.991 175.800 -0.192 0.000 0.737 411 F CA 1.002 58.792 58.000 -0.351 0.000 1.151 411 F CB -1.936 36.800 39.000 -0.441 0.000 1.440 411 F HN 0.212 nan 8.300 nan 0.000 0.367 412 V N -6.354 113.411 119.914 -0.249 0.000 3.332 412 V HA 0.304 4.424 4.120 0.000 0.000 0.263 412 V C 0.683 176.511 176.094 -0.443 0.000 1.562 412 V CA 0.662 62.618 62.300 -0.573 0.000 1.040 412 V CB 0.903 32.420 31.823 -0.510 0.000 0.857 412 V HN 0.083 nan 8.190 nan 0.000 0.428 413 T N 5.849 120.216 114.554 -0.313 0.000 2.727 413 T HA 0.473 4.823 4.350 0.000 0.000 0.298 413 T C -2.495 172.062 174.700 -0.238 0.000 0.942 413 T CA -0.731 61.260 62.100 -0.182 0.000 0.997 413 T CB 1.408 70.177 68.868 -0.165 0.000 0.917 413 T HN 0.463 nan 8.240 nan 0.000 0.487 414 P HA 0.220 nan 4.420 nan 0.000 0.276 414 P C -0.590 176.730 177.300 0.033 0.000 1.244 414 P CA -0.632 62.581 63.100 0.190 0.000 0.801 414 P CB 0.766 32.870 31.700 0.673 0.000 1.006 415 Y N 1.618 121.927 120.300 0.014 0.000 2.330 415 Y HA 0.069 4.619 4.550 0.000 0.000 0.341 415 Y C -0.780 175.096 175.900 -0.040 0.000 1.278 415 Y CA -1.298 56.685 58.100 -0.194 0.000 1.453 415 Y CB -1.140 37.205 38.460 -0.191 0.000 1.342 415 Y HN 0.377 nan 8.280 nan 0.000 0.590 416 P HA -0.152 nan 4.420 nan 0.000 0.219 416 P C 0.337 177.768 177.300 0.218 0.000 1.146 416 P CA 1.934 65.066 63.100 0.054 0.000 0.808 416 P CB 0.165 31.818 31.700 -0.078 0.000 0.779 417 D N -2.253 118.360 120.400 0.354 0.000 2.342 417 D HA -0.003 4.637 4.640 0.000 0.000 0.221 417 D C -0.390 176.149 176.300 0.398 0.000 1.101 417 D CA -0.439 53.790 54.000 0.381 0.000 0.837 417 D CB -0.821 40.254 40.800 0.458 0.000 0.938 417 D HN 0.130 nan 8.370 nan 0.000 0.508 418 F N 1.643 121.766 119.950 0.288 0.000 2.366 418 F HA 0.256 4.783 4.527 0.000 0.000 0.366 418 F C -0.593 175.358 175.800 0.252 0.000 1.096 418 F CA -1.221 56.951 58.000 0.287 0.000 1.060 418 F CB 1.188 40.437 39.000 0.415 0.000 1.282 418 F HN -0.295 nan 8.300 nan 0.000 0.450 419 D N 5.976 126.293 120.400 -0.137 0.000 2.441 419 D HA 0.117 4.757 4.640 0.000 0.000 0.221 419 D C 1.219 177.425 176.300 -0.156 0.000 1.156 419 D CA 0.167 54.136 54.000 -0.052 0.000 0.896 419 D CB 1.235 42.007 40.800 -0.046 0.000 1.028 419 D HN 0.424 nan 8.370 nan 0.000 0.509 420 V N 4.990 124.962 119.914 0.096 0.000 2.252 420 V HA -0.322 3.798 4.120 0.000 0.000 0.249 420 V C 2.632 178.783 176.094 0.095 0.000 1.056 420 V CA 1.895 64.306 62.300 0.186 0.000 1.022 420 V CB -0.539 31.555 31.823 0.452 0.000 0.641 420 V HN 0.601 nan 8.190 nan 0.000 0.445 421 K N 0.065 120.531 120.400 0.111 0.000 2.057 421 K HA -0.188 4.132 4.320 0.000 0.000 0.207 421 K C 1.827 178.450 176.600 0.038 0.000 1.049 421 K CA 1.523 57.864 56.287 0.090 0.000 0.931 421 K CB -0.700 31.848 32.500 0.080 0.000 0.714 421 K HN 0.392 nan 8.250 nan 0.000 0.440 422 E N 1.127 121.329 120.200 0.005 0.000 2.106 422 E HA 0.001 4.351 4.350 0.000 0.000 0.192 422 E C 2.305 178.898 176.600 -0.010 0.000 0.984 422 E CA 0.683 57.074 56.400 -0.014 0.000 0.806 422 E CB -0.279 29.398 29.700 -0.037 0.000 0.750 422 E HN 0.396 nan 8.360 nan 0.000 0.458 423 I N 0.343 120.873 120.570 -0.068 0.000 2.315 423 I HA -0.266 3.904 4.170 0.000 0.000 0.248 423 I C 2.617 178.759 176.117 0.042 0.000 1.117 423 I CA 1.095 62.356 61.300 -0.064 0.000 1.404 423 I CB -0.355 37.492 38.000 -0.255 0.000 1.071 423 I HN 0.224 nan 8.210 nan 0.000 0.419 424 H N 1.264 120.270 119.070 -0.106 0.000 2.293 424 H HA -0.201 4.355 4.556 0.000 0.000 0.300 424 H C 2.591 177.877 175.328 -0.070 0.000 1.082 424 H CA 1.464 57.429 56.048 -0.138 0.000 1.308 424 H CB 0.119 29.788 29.762 -0.155 0.000 1.375 424 H HN 0.112 nan 8.280 nan 0.000 0.495 425 R N -0.375 120.077 120.500 -0.079 0.000 2.096 425 R HA -0.230 4.110 4.340 0.000 0.000 0.240 425 R C 2.218 178.512 176.300 -0.009 0.000 1.139 425 R CA 2.032 58.054 56.100 -0.130 0.000 0.952 425 R CB -0.617 29.643 30.300 -0.065 0.000 0.854 425 R HN 0.409 nan 8.270 nan 0.000 0.436 426 Y N 0.548 120.810 120.300 -0.063 0.000 2.163 426 Y HA -0.147 4.403 4.550 -0.000 0.000 0.288 426 Y C 2.230 178.116 175.900 -0.023 0.000 1.136 426 Y CA 1.614 59.691 58.100 -0.038 0.000 1.147 426 Y CB -0.531 37.912 38.460 -0.029 0.000 0.987 426 Y HN 0.223 nan 8.280 nan 0.000 0.509 427 A N 0.332 123.199 122.820 0.077 0.000 1.883 427 A HA -0.194 4.126 4.320 0.000 0.000 0.217 427 A C 2.441 179.993 177.584 -0.053 0.000 1.186 427 A CA 2.254 54.295 52.037 0.007 0.000 0.624 427 A CB -1.582 17.438 19.000 0.035 0.000 0.822 427 A HN 0.574 nan 8.150 nan 0.000 0.444 428 A N -0.429 122.378 122.820 -0.022 0.000 1.908 428 A HA -0.211 4.109 4.320 0.000 0.000 0.218 428 A C 2.257 179.785 177.584 -0.093 0.000 1.181 428 A CA 1.973 53.985 52.037 -0.041 0.000 0.627 428 A CB -0.518 18.451 19.000 -0.051 0.000 0.818 428 A HN 0.572 nan 8.150 nan 0.000 0.445 429 R N -0.567 119.852 120.500 -0.136 0.000 2.120 429 R HA -0.101 4.239 4.340 0.000 0.000 0.234 429 R C 1.247 177.434 176.300 -0.188 0.000 1.123 429 R CA 1.428 57.433 56.100 -0.157 0.000 0.975 429 R CB -0.042 30.151 30.300 -0.177 0.000 0.866 429 R HN 0.213 nan 8.270 nan 0.000 0.446 430 K N -0.609 119.643 120.400 -0.247 0.000 2.487 430 K HA 0.100 4.420 4.320 0.000 0.000 0.192 430 K C 0.753 177.281 176.600 -0.120 0.000 1.027 430 K CA 0.839 56.994 56.287 -0.221 0.000 1.054 430 K CB 0.576 32.897 32.500 -0.299 0.000 0.824 430 K HN 0.465 nan 8.250 nan 0.000 0.510 431 G N 1.701 110.446 108.800 -0.093 0.000 2.147 431 G HA2 -0.204 3.756 3.960 0.000 0.000 0.244 431 G HA3 -0.204 3.756 3.960 0.000 0.000 0.244 431 G C 0.001 174.881 174.900 -0.033 0.000 1.005 431 G CA -0.161 44.904 45.100 -0.058 0.000 0.713 431 G HN 0.162 nan 8.290 nan 0.000 0.515 432 I N -0.152 120.402 120.570 -0.028 0.000 2.493 432 I HA 0.513 4.683 4.170 0.000 0.000 0.298 432 I C 0.124 176.238 176.117 -0.005 0.000 0.998 432 I CA -1.204 60.100 61.300 0.007 0.000 1.137 432 I CB 1.788 39.810 38.000 0.037 0.000 1.310 432 I HN -0.136 nan 8.210 nan 0.000 0.445 433 K N 5.286 125.685 120.400 -0.001 0.000 2.182 433 K HA 0.512 4.832 4.320 0.000 0.000 0.262 433 K C -0.520 176.053 176.600 -0.046 0.000 0.957 433 K CA -0.895 55.365 56.287 -0.044 0.000 0.842 433 K CB 1.827 34.306 32.500 -0.034 0.000 1.099 433 K HN 0.384 nan 8.250 nan 0.000 0.438 434 M N 2.705 122.217 119.600 -0.147 0.000 2.188 434 M HA 0.333 4.813 4.480 0.000 0.000 0.357 434 M C 0.167 176.486 176.300 0.031 0.000 1.204 434 M CA -0.426 54.816 55.300 -0.097 0.000 1.095 434 M CB 0.754 33.176 32.600 -0.296 0.000 1.604 434 M HN 0.499 nan 8.290 nan 0.000 0.464 435 M N 4.035 123.691 119.600 0.093 0.000 2.108 435 M HA 0.305 4.785 4.480 0.000 0.000 0.354 435 M C -0.416 175.968 176.300 0.140 0.000 1.229 435 M CA -0.703 54.639 55.300 0.070 0.000 1.081 435 M CB 0.932 33.480 32.600 -0.087 0.000 1.606 435 M HN 0.717 nan 8.290 nan 0.000 0.467 436 M N 4.736 124.394 119.600 0.098 0.000 2.240 436 M HA 0.156 4.636 4.480 0.000 0.000 0.333 436 M C -1.252 175.043 176.300 -0.008 0.000 1.110 436 M CA 0.666 55.869 55.300 -0.161 0.000 1.173 436 M CB 0.296 32.636 32.600 -0.434 0.000 1.458 436 M HN 0.620 nan 8.290 nan 0.000 0.458 437 H N 2.931 122.020 119.070 0.031 0.000 2.589 437 H HA 0.424 4.980 4.556 0.000 0.000 0.335 437 H C -1.431 174.126 175.328 0.382 0.000 1.019 437 H CA -0.346 55.810 56.048 0.180 0.000 1.213 437 H CB 0.484 30.411 29.762 0.276 0.000 1.472 437 H HN 0.846 nan 8.280 nan 0.000 0.508 438 H N 3.879 122.832 119.070 -0.194 0.000 2.317 438 H HA 0.109 4.665 4.556 0.000 0.000 0.231 438 H C -0.461 174.540 175.328 -0.544 0.000 1.442 438 H CA -0.693 55.203 56.048 -0.255 0.000 1.336 438 H CB 0.669 30.314 29.762 -0.196 0.000 1.533 438 H HN 0.529 nan 8.280 nan 0.000 0.522 439 E N 1.544 121.306 120.200 -0.729 0.000 2.344 439 E HA -0.015 4.335 4.350 0.000 0.000 0.270 439 E C 1.091 177.427 176.600 -0.440 0.000 1.021 439 E CA 0.009 56.083 56.400 -0.544 0.000 0.887 439 E CB 0.955 30.357 29.700 -0.497 0.000 0.997 439 E HN 0.564 nan 8.360 nan 0.000 0.429 440 T N 0.383 114.753 114.554 -0.307 0.000 3.022 440 T HA 0.084 4.434 4.350 0.000 0.000 0.250 440 T C 0.561 175.303 174.700 0.071 0.000 1.060 440 T CA 0.221 62.254 62.100 -0.111 0.000 1.013 440 T CB -0.219 68.411 68.868 -0.396 0.000 0.982 440 T HN 0.385 nan 8.240 nan 0.000 0.508 441 S N 0.849 116.611 115.700 0.105 0.000 3.587 441 S HA -0.153 4.317 4.470 0.000 0.000 0.337 441 S C 1.155 175.791 174.600 0.060 0.000 1.119 441 S CA 0.866 59.140 58.200 0.123 0.000 0.976 441 S CB -2.133 61.094 63.200 0.045 0.000 0.922 441 S HN 2.036 nan 8.310 nan 0.000 0.503 442 A N -1.019 121.874 122.820 0.122 0.000 2.861 442 A HA -0.228 4.092 4.320 0.000 0.000 0.261 442 A C 0.810 178.446 177.584 0.087 0.000 1.351 442 A CA 1.339 53.474 52.037 0.163 0.000 0.904 442 A CB -1.999 17.073 19.000 0.120 0.000 1.076 442 A HN 1.613 nan 8.150 nan 0.000 0.729 443 S N -0.201 115.544 115.700 0.075 0.000 2.592 443 S HA 0.463 4.933 4.470 0.000 0.000 0.305 443 S C 1.299 175.975 174.600 0.126 0.000 1.118 443 S CA 0.020 58.261 58.200 0.068 0.000 1.075 443 S CB 0.220 63.448 63.200 0.046 0.000 1.107 443 S HN 0.817 nan 8.310 nan 0.000 0.503 444 V N 6.017 125.982 119.914 0.084 0.000 2.407 444 V HA -0.048 4.072 4.120 0.000 0.000 0.245 444 V C 2.613 178.744 176.094 0.063 0.000 1.041 444 V CA 1.604 63.920 62.300 0.027 0.000 1.040 444 V CB -0.658 31.078 31.823 -0.146 0.000 0.671 444 V HN 0.767 nan 8.190 nan 0.000 0.455 445 R N 0.919 121.468 120.500 0.081 0.000 2.081 445 R HA -0.220 4.120 4.340 0.000 0.000 0.235 445 R C 2.194 178.577 176.300 0.137 0.000 1.131 445 R CA 2.137 58.289 56.100 0.087 0.000 0.960 445 R CB -0.395 29.946 30.300 0.069 0.000 0.856 445 R HN 0.592 nan 8.270 nan 0.000 0.436 446 N N -0.371 118.445 118.700 0.193 0.000 2.104 446 N HA -0.249 4.491 4.740 0.000 0.000 0.190 446 N C 1.642 177.451 175.510 0.499 0.000 1.024 446 N CA 1.472 54.722 53.050 0.333 0.000 0.853 446 N CB -0.338 38.339 38.487 0.316 0.000 1.008 446 N HN 0.287 nan 8.380 nan 0.000 0.424 447 Y N 1.468 121.896 120.300 0.214 0.000 2.163 447 Y HA -0.016 4.534 4.550 0.000 0.000 0.288 447 Y C 1.913 177.821 175.900 0.013 0.000 1.136 447 Y CA 1.557 59.674 58.100 0.029 0.000 1.147 447 Y CB -0.498 37.922 38.460 -0.068 0.000 0.987 447 Y HN 0.225 nan 8.280 nan 0.000 0.509 448 E N -0.305 119.938 120.200 0.073 0.000 2.077 448 E HA -0.225 4.125 4.350 0.000 0.000 0.193 448 E C 2.290 178.877 176.600 -0.022 0.000 0.989 448 E CA 1.128 57.529 56.400 0.001 0.000 0.800 448 E CB -0.171 29.581 29.700 0.087 0.000 0.746 448 E HN 0.467 nan 8.360 nan 0.000 0.452 449 R N -0.168 120.345 120.500 0.021 0.000 2.120 449 R HA -0.121 4.220 4.340 0.000 0.000 0.234 449 R C 1.565 177.778 176.300 -0.145 0.000 1.123 449 R CA 1.208 57.269 56.100 -0.067 0.000 0.975 449 R CB -0.156 30.083 30.300 -0.101 0.000 0.866 449 R HN 0.300 nan 8.270 nan 0.000 0.446 450 H N -0.994 118.071 119.070 -0.008 0.000 2.575 450 H HA 0.159 4.715 4.556 0.000 0.000 0.267 450 H C 1.627 176.832 175.328 -0.206 0.000 0.966 450 H CA 0.095 56.142 56.048 -0.003 0.000 1.165 450 H CB 0.326 30.229 29.762 0.236 0.000 1.433 450 H HN 0.055 nan 8.280 nan 0.000 0.544 451 M N 0.323 119.737 119.600 -0.309 0.000 2.080 451 M HA -0.218 4.262 4.480 0.000 0.000 0.260 451 M C 1.259 177.218 176.300 -0.568 0.000 1.068 451 M CA 1.817 56.709 55.300 -0.681 0.000 1.109 451 M CB 0.145 32.253 32.600 -0.820 0.000 1.342 451 M HN 0.288 nan 8.290 nan 0.000 0.405 452 D N -0.041 120.203 120.400 -0.258 0.000 2.117 452 D HA -0.157 4.483 4.640 0.000 0.000 0.198 452 D C 1.932 178.219 176.300 -0.022 0.000 0.982 452 D CA 1.074 55.023 54.000 -0.085 0.000 0.828 452 D CB -0.131 40.715 40.800 0.076 0.000 0.967 452 D HN 0.290 nan 8.370 nan 0.000 0.464 453 K N 0.907 121.313 120.400 0.010 0.000 2.097 453 K HA -0.041 4.279 4.320 0.000 0.000 0.206 453 K C 2.018 178.697 176.600 0.133 0.000 1.049 453 K CA 0.589 56.936 56.287 0.099 0.000 0.933 453 K CB -0.307 32.260 32.500 0.111 0.000 0.717 453 K HN 0.040 nan 8.250 nan 0.000 0.442 454 A N 0.483 123.323 122.820 0.034 0.000 1.873 454 A HA -0.161 4.159 4.320 0.000 0.000 0.215 454 A C 1.973 179.693 177.584 0.227 0.000 1.186 454 A CA 1.188 53.287 52.037 0.104 0.000 0.616 454 A CB -0.652 18.255 19.000 -0.154 0.000 0.823 454 A HN 0.188 nan 8.150 nan 0.000 0.442 455 Y N -0.384 119.837 120.300 -0.131 0.000 2.242 455 Y HA -0.136 4.414 4.550 0.000 0.000 0.291 455 Y C 2.593 178.338 175.900 -0.259 0.000 1.137 455 Y CA 1.331 59.197 58.100 -0.388 0.000 1.181 455 Y CB -0.920 36.854 38.460 -1.143 0.000 0.989 455 Y HN 0.454 nan 8.280 nan 0.000 0.527 456 Q N -0.281 119.566 119.800 0.079 0.000 2.119 456 Q HA -0.176 4.164 4.340 0.000 0.000 0.201 456 Q C 2.135 178.279 176.000 0.241 0.000 0.972 456 Q CA 1.410 57.368 55.803 0.259 0.000 0.847 456 Q CB -0.835 28.074 28.738 0.285 0.000 0.903 456 Q HN 0.398 nan 8.270 nan 0.000 0.433 457 F N -0.121 119.907 119.950 0.129 0.000 2.134 457 F HA -0.169 4.358 4.527 0.000 0.000 0.299 457 F C 1.838 177.714 175.800 0.126 0.000 1.097 457 F CA 1.574 59.658 58.000 0.139 0.000 1.264 457 F CB -0.151 38.944 39.000 0.159 0.000 1.001 457 F HN 0.109 nan 8.300 nan 0.000 0.479 458 M N -0.145 119.561 119.600 0.176 0.000 2.086 458 M HA -0.211 4.269 4.480 0.000 0.000 0.261 458 M C 2.506 178.847 176.300 0.069 0.000 1.067 458 M CA 1.889 57.240 55.300 0.085 0.000 1.116 458 M CB -0.815 31.835 32.600 0.082 0.000 1.348 458 M HN 0.282 nan 8.290 nan 0.000 0.407 459 A N 0.270 123.135 122.820 0.075 0.000 1.908 459 A HA -0.196 4.124 4.320 0.000 0.000 0.218 459 A C 1.659 179.251 177.584 0.013 0.000 1.181 459 A CA 2.059 54.133 52.037 0.061 0.000 0.627 459 A CB -0.768 18.319 19.000 0.145 0.000 0.818 459 A HN 0.432 nan 8.150 nan 0.000 0.445 460 D N -0.118 120.281 120.400 -0.003 0.000 2.312 460 D HA -0.041 4.599 4.640 0.000 0.000 0.211 460 D C 0.555 176.800 176.300 -0.092 0.000 0.964 460 D CA 0.668 54.651 54.000 -0.027 0.000 0.877 460 D CB -0.167 40.627 40.800 -0.009 0.000 0.924 460 D HN 0.454 nan 8.370 nan 0.000 0.515 461 N N -0.500 118.073 118.700 -0.211 0.000 2.291 461 N HA 0.171 4.911 4.740 0.000 0.000 0.244 461 N C 0.759 175.740 175.510 -0.881 0.000 1.216 461 N CA 0.212 53.048 53.050 -0.357 0.000 0.879 461 N CB 1.734 39.996 38.487 -0.375 0.000 1.167 461 N HN 0.070 nan 8.380 nan 0.000 0.515 462 G N 0.940 109.383 108.800 -0.594 0.000 2.143 462 G HA2 -0.300 3.660 3.960 0.000 0.000 0.248 462 G HA3 -0.300 3.660 3.960 0.000 0.000 0.248 462 G C -0.530 174.103 174.900 -0.444 0.000 0.991 462 G CA 0.062 44.796 45.100 -0.610 0.000 0.689 462 G HN 0.393 nan 8.290 nan 0.000 0.522 463 Y N 0.453 120.595 120.300 -0.262 0.000 2.335 463 Y HA 0.468 5.018 4.550 0.000 0.000 0.339 463 Y C 1.058 176.887 175.900 -0.118 0.000 0.987 463 Y CA -0.477 57.519 58.100 -0.173 0.000 1.140 463 Y CB 1.375 39.739 38.460 -0.161 0.000 1.173 463 Y HN 0.239 nan 8.280 nan 0.000 0.486 464 N N -0.570 118.161 118.700 0.050 0.000 2.170 464 N HA 0.099 4.839 4.740 0.000 0.000 0.222 464 N C -0.881 174.647 175.510 0.030 0.000 1.218 464 N CA -0.208 52.857 53.050 0.026 0.000 0.889 464 N CB 0.586 39.092 38.487 0.032 0.000 1.083 464 N HN 0.316 nan 8.380 nan 0.000 0.520 465 S N -1.108 114.602 115.700 0.017 0.000 2.540 465 S HA 0.706 5.176 4.470 0.000 0.000 0.275 465 S C -1.221 173.353 174.600 -0.044 0.000 1.123 465 S CA -0.793 57.397 58.200 -0.017 0.000 0.907 465 S CB 2.074 65.243 63.200 -0.053 0.000 1.081 465 S HN 0.143 nan 8.310 nan 0.000 0.476 466 V N 1.966 121.844 119.914 -0.059 0.000 2.760 466 V HA 0.689 4.810 4.120 0.000 0.000 0.309 466 V C -1.142 174.938 176.094 -0.025 0.000 1.077 466 V CA -0.732 61.512 62.300 -0.093 0.000 0.910 466 V CB 1.888 33.602 31.823 -0.182 0.000 1.008 466 V HN 1.108 nan 8.190 nan 0.000 0.424 467 K N 4.580 124.981 120.400 0.001 0.000 2.263 467 K HA 0.645 4.965 4.320 0.000 0.000 0.272 467 K C -0.090 176.593 176.600 0.137 0.000 1.033 467 K CA -0.201 56.127 56.287 0.068 0.000 0.884 467 K CB 1.154 33.673 32.500 0.032 0.000 1.107 467 K HN 0.918 nan 8.250 nan 0.000 0.460 468 S N 2.061 117.850 115.700 0.149 0.000 2.718 468 S HA 0.861 5.331 4.470 0.000 0.000 0.300 468 S C 0.041 174.701 174.600 0.099 0.000 1.117 468 S CA -0.770 57.479 58.200 0.081 0.000 1.002 468 S CB 1.832 65.141 63.200 0.181 0.000 1.092 468 S HN 0.690 nan 8.310 nan 0.000 0.542 469 G N -0.689 108.034 108.800 -0.129 0.000 2.704 469 G HA2 0.596 4.556 3.960 0.000 0.000 0.293 469 G HA3 0.596 4.556 3.960 0.000 0.000 0.293 469 G C -2.062 172.689 174.900 -0.249 0.000 1.421 469 G CA -0.718 44.421 45.100 0.064 0.000 0.870 469 G HN 0.651 nan 8.290 nan 0.000 0.492 470 Y N 0.838 121.351 120.300 0.356 0.000 2.477 470 Y HA 0.349 4.899 4.550 0.000 0.000 0.340 470 Y C 0.228 176.386 175.900 0.429 0.000 0.987 470 Y CA -0.650 57.672 58.100 0.368 0.000 1.127 470 Y CB 1.453 40.197 38.460 0.474 0.000 1.139 470 Y HN 0.322 nan 8.280 nan 0.000 0.637 471 V N 1.822 121.991 119.914 0.424 0.000 2.455 471 V HA 0.769 4.889 4.120 0.000 0.000 0.273 471 V C 0.679 176.861 176.094 0.148 0.000 1.045 471 V CA 0.346 62.860 62.300 0.357 0.000 0.976 471 V CB 0.522 32.641 31.823 0.494 0.000 0.993 471 V HN 0.787 nan 8.190 nan 0.000 0.475 472 G N 4.537 113.397 108.800 0.100 0.000 2.423 472 G HA2 -0.123 3.837 3.960 0.000 0.000 0.684 472 G HA3 -0.123 3.837 3.960 0.000 0.000 0.684 472 G C -0.810 174.156 174.900 0.111 0.000 1.309 472 G CA -0.915 44.152 45.100 -0.055 0.000 0.950 472 G HN 0.710 nan 8.290 nan 0.000 0.587 473 N N 0.117 118.827 118.700 0.017 0.000 2.513 473 N HA 0.374 5.114 4.740 0.000 0.000 0.268 473 N C 0.983 176.473 175.510 -0.034 0.000 1.180 473 N CA -0.669 52.407 53.050 0.043 0.000 0.948 473 N CB 0.671 39.155 38.487 -0.005 0.000 1.083 473 N HN 0.464 nan 8.380 nan 0.000 0.455 474 I N 2.613 123.118 120.570 -0.108 0.000 2.815 474 I HA -0.038 4.132 4.170 0.000 0.000 0.291 474 I C 0.426 176.485 176.117 -0.097 0.000 1.209 474 I CA 0.644 61.856 61.300 -0.147 0.000 1.431 474 I CB -0.259 37.616 38.000 -0.209 0.000 1.351 474 I HN 0.468 nan 8.210 nan 0.000 0.585 475 I N 7.262 127.795 120.570 -0.061 0.000 2.447 475 I HA 0.243 4.413 4.170 0.000 0.000 0.287 475 I C -2.186 173.920 176.117 -0.018 0.000 1.023 475 I CA -1.982 59.288 61.300 -0.051 0.000 1.083 475 I CB 2.236 40.217 38.000 -0.032 0.000 1.245 475 I HN 0.330 nan 8.210 nan 0.000 0.434 476 P HA -0.016 nan 4.420 nan 0.000 0.260 476 P C -0.746 176.462 177.300 -0.154 0.000 1.172 476 P CA 0.110 63.142 63.100 -0.114 0.000 0.760 476 P CB 0.342 31.924 31.700 -0.197 0.000 0.773 477 R N 2.520 122.938 120.500 -0.138 0.000 2.449 477 R HA 0.369 4.709 4.340 0.000 0.000 0.296 477 R C 1.467 177.663 176.300 -0.173 0.000 1.047 477 R CA 0.611 56.628 56.100 -0.138 0.000 1.018 477 R CB -0.190 30.047 30.300 -0.105 0.000 0.962 477 R HN 0.840 nan 8.270 nan 0.000 0.428 478 G N 1.684 110.364 108.800 -0.201 0.000 2.380 478 G HA2 -0.179 3.781 3.960 0.000 0.000 0.197 478 G HA3 -0.179 3.781 3.960 0.000 0.000 0.197 478 G C 0.019 174.698 174.900 -0.368 0.000 1.001 478 G CA -0.586 44.372 45.100 -0.237 0.000 0.668 478 G HN 0.476 nan 8.290 nan 0.000 0.483 479 E N 1.144 121.138 120.200 -0.343 0.000 2.318 479 E HA 0.534 4.884 4.350 0.000 0.000 0.265 479 E C -0.197 176.174 176.600 -0.382 0.000 1.069 479 E CA -0.310 55.888 56.400 -0.336 0.000 0.893 479 E CB 0.645 30.213 29.700 -0.219 0.000 1.076 479 E HN 0.509 nan 8.360 nan 0.000 0.414 480 H N 0.365 119.438 119.070 0.005 0.000 2.595 480 H HA 0.181 4.737 4.556 0.000 0.000 0.346 480 H C 0.722 176.070 175.328 0.033 0.000 1.181 480 H CA -0.418 55.664 56.048 0.056 0.000 1.242 480 H CB 0.957 30.789 29.762 0.115 0.000 1.652 480 H HN 0.543 nan 8.280 nan 0.000 0.548 481 H N 0.670 119.757 119.070 0.029 0.000 2.422 481 H HA -0.125 4.431 4.556 0.000 0.000 0.298 481 H C 0.398 175.850 175.328 0.206 0.000 1.098 481 H CA 1.660 57.696 56.048 -0.020 0.000 1.315 481 H CB 0.152 29.722 29.762 -0.320 0.000 1.382 481 H HN 0.450 nan 8.280 nan 0.000 0.523 482 Y N -0.631 119.978 120.300 0.516 0.000 2.607 482 Y HA 0.359 4.909 4.550 0.000 0.000 0.266 482 Y C 1.412 177.501 175.900 0.314 0.000 1.178 482 Y CA -0.523 57.838 58.100 0.434 0.000 1.226 482 Y CB -0.348 38.383 38.460 0.453 0.000 1.144 482 Y HN 0.044 nan 8.280 nan 0.000 0.528 483 G N 0.037 109.049 108.800 0.353 0.000 2.616 483 G HA2 0.044 4.004 3.960 0.000 0.000 0.268 483 G HA3 0.044 4.004 3.960 0.000 0.000 0.268 483 G C 0.900 175.928 174.900 0.214 0.000 1.213 483 G CA -0.323 44.916 45.100 0.233 0.000 0.926 483 G HN 0.329 nan 8.290 nan 0.000 0.523 484 Q N -0.768 119.127 119.800 0.157 0.000 2.135 484 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 484 Q C 1.971 178.066 176.000 0.157 0.000 0.981 484 Q CA 1.531 57.418 55.803 0.141 0.000 0.856 484 Q CB -0.159 28.638 28.738 0.098 0.000 0.902 484 Q HN 0.808 nan 8.270 nan 0.000 0.425 485 W N 0.254 121.539 121.300 -0.025 0.000 2.333 485 W HA -0.232 4.428 4.660 0.000 0.000 0.316 485 W C 1.646 178.108 176.519 -0.095 0.000 1.215 485 W CA 1.092 58.394 57.345 -0.071 0.000 1.278 485 W CB -0.102 29.299 29.460 -0.099 0.000 1.154 485 W HN 0.284 nan 8.180 nan 0.000 0.486 486 M N 0.868 120.509 119.600 0.069 0.000 2.254 486 M HA -0.161 4.319 4.480 0.000 0.000 0.265 486 M C 1.504 177.565 176.300 -0.398 0.000 1.066 486 M CA 1.218 56.364 55.300 -0.256 0.000 1.123 486 M CB -1.808 30.676 32.600 -0.192 0.000 1.388 486 M HN -0.008 nan 8.290 nan 0.000 0.425 487 N N 0.866 119.568 118.700 0.003 0.000 2.166 487 N HA -0.162 4.578 4.740 0.000 0.000 0.186 487 N C 1.463 177.000 175.510 0.045 0.000 1.019 487 N CA 0.960 54.115 53.050 0.173 0.000 0.856 487 N CB -0.678 37.948 38.487 0.232 0.000 0.993 487 N HN 0.449 nan 8.380 nan 0.000 0.426 488 N N 0.835 119.493 118.700 -0.069 0.000 2.084 488 N HA -0.199 4.541 4.740 0.000 0.000 0.190 488 N C 1.734 177.153 175.510 -0.152 0.000 1.030 488 N CA 1.220 54.196 53.050 -0.124 0.000 0.849 488 N CB -0.263 38.072 38.487 -0.253 0.000 1.012 488 N HN 0.363 nan 8.380 nan 0.000 0.423 489 H N -0.204 118.657 119.070 -0.348 0.000 2.290 489 H HA -0.125 4.431 4.556 0.000 0.000 0.298 489 H C 1.753 177.057 175.328 -0.039 0.000 1.087 489 H CA 2.279 58.171 56.048 -0.260 0.000 1.291 489 H CB -0.691 28.830 29.762 -0.402 0.000 1.369 489 H HN 0.333 nan 8.280 nan 0.000 0.492 490 Y N -0.847 119.399 120.300 -0.091 0.000 2.165 490 Y HA -0.212 4.338 4.550 0.000 0.000 0.286 490 Y C 2.570 178.432 175.900 -0.064 0.000 1.155 490 Y CA 0.625 58.681 58.100 -0.072 0.000 1.164 490 Y CB -0.244 38.249 38.460 0.055 0.000 0.978 490 Y HN 0.271 nan 8.280 nan 0.000 0.513 491 L N -0.817 120.467 121.223 0.101 0.000 2.109 491 L HA -0.188 4.152 4.340 0.000 0.000 0.207 491 L C 2.264 179.101 176.870 -0.054 0.000 1.086 491 L CA 1.448 56.297 54.840 0.016 0.000 0.760 491 L CB -1.007 41.068 42.059 0.027 0.000 0.910 491 L HN 0.294 nan 8.230 nan 0.000 0.437 492 Y N 0.362 120.557 120.300 -0.175 0.000 2.165 492 Y HA -0.256 4.294 4.550 0.000 0.000 0.286 492 Y C 2.346 178.160 175.900 -0.144 0.000 1.155 492 Y CA 1.802 59.797 58.100 -0.175 0.000 1.164 492 Y CB -0.650 37.686 38.460 -0.206 0.000 0.978 492 Y HN 0.228 nan 8.280 nan 0.000 0.513 493 A N -0.681 122.006 122.820 -0.221 0.000 1.933 493 A HA -0.139 4.181 4.320 0.000 0.000 0.218 493 A C 2.359 179.938 177.584 -0.009 0.000 1.175 493 A CA 2.016 53.959 52.037 -0.157 0.000 0.628 493 A CB -1.274 17.713 19.000 -0.022 0.000 0.814 493 A HN 0.353 nan 8.150 nan 0.000 0.444 494 V N -0.039 119.858 119.914 -0.027 0.000 2.379 494 V HA -0.218 3.902 4.120 0.000 0.000 0.245 494 V C 2.425 178.451 176.094 -0.114 0.000 1.044 494 V CA 2.219 64.506 62.300 -0.021 0.000 1.036 494 V CB -0.573 31.242 31.823 -0.014 0.000 0.664 494 V HN 0.534 nan 8.190 nan 0.000 0.453 495 K N 0.090 120.339 120.400 -0.251 0.000 2.057 495 K HA -0.200 4.120 4.320 0.000 0.000 0.206 495 K C 2.277 178.817 176.600 -0.099 0.000 1.050 495 K CA 1.422 57.558 56.287 -0.252 0.000 0.935 495 K CB -0.184 32.145 32.500 -0.284 0.000 0.715 495 K HN 0.319 nan 8.250 nan 0.000 0.439 496 K N 0.962 121.275 120.400 -0.145 0.000 2.057 496 K HA -0.101 4.219 4.320 0.000 0.000 0.206 496 K C 2.122 178.782 176.600 0.100 0.000 1.050 496 K CA 1.129 57.402 56.287 -0.024 0.000 0.935 496 K CB -0.073 32.340 32.500 -0.145 0.000 0.715 496 K HN 0.104 nan 8.250 nan 0.000 0.439 497 A N 1.162 123.955 122.820 -0.044 0.000 1.940 497 A HA -0.131 4.190 4.320 0.000 0.000 0.219 497 A C 2.302 179.825 177.584 -0.102 0.000 1.176 497 A CA 1.881 53.699 52.037 -0.366 0.000 0.631 497 A CB -0.741 18.070 19.000 -0.316 0.000 0.814 497 A HN 0.485 nan 8.150 nan 0.000 0.446 498 A N -0.056 122.798 122.820 0.058 0.000 1.972 498 A HA -0.177 4.143 4.320 0.000 0.000 0.219 498 A C 1.686 179.265 177.584 -0.009 0.000 1.169 498 A CA 1.813 53.964 52.037 0.189 0.000 0.635 498 A CB -0.522 18.671 19.000 0.322 0.000 0.810 498 A HN 0.460 nan 8.150 nan 0.000 0.446 499 D N -1.570 118.826 120.400 -0.007 0.000 2.219 499 D HA -0.104 4.536 4.640 0.000 0.000 0.205 499 D C 0.812 176.953 176.300 -0.265 0.000 0.970 499 D CA 1.131 55.066 54.000 -0.108 0.000 0.851 499 D CB -0.230 40.517 40.800 -0.089 0.000 0.943 499 D HN 0.651 nan 8.370 nan 0.000 0.488 500 Y N 0.235 120.374 120.300 -0.268 0.000 2.457 500 Y HA 0.173 4.723 4.550 0.000 0.000 0.263 500 Y C 0.384 176.002 175.900 -0.470 0.000 1.164 500 Y CA -0.190 57.731 58.100 -0.298 0.000 1.274 500 Y CB 0.189 38.489 38.460 -0.268 0.000 1.097 500 Y HN -0.244 nan 8.280 nan 0.000 0.523 501 K N 0.622 120.635 120.400 -0.644 0.000 3.150 501 K HA -0.205 4.115 4.320 0.000 0.000 0.267 501 K C -0.774 175.379 176.600 -0.745 0.000 1.028 501 K CA 0.495 55.892 56.287 -1.485 0.000 0.753 501 K CB -1.959 29.776 32.500 -1.275 0.000 1.288 501 K HN 0.331 nan 8.250 nan 0.000 0.473 502 I N 0.913 121.295 120.570 -0.314 0.000 2.441 502 I HA 0.331 4.501 4.170 0.000 0.000 0.295 502 I C 0.545 176.784 176.117 0.204 0.000 0.994 502 I CA -0.919 60.349 61.300 -0.054 0.000 1.144 502 I CB 1.586 39.407 38.000 -0.299 0.000 1.314 502 I HN 0.033 nan 8.210 nan 0.000 0.445 503 M N 5.238 124.963 119.600 0.208 0.000 2.314 503 M HA 0.487 4.967 4.480 0.000 0.000 0.342 503 M C -0.863 175.482 176.300 0.076 0.000 1.171 503 M CA -0.730 54.676 55.300 0.176 0.000 1.098 503 M CB 1.941 34.607 32.600 0.109 0.000 1.559 503 M HN 0.223 nan 8.290 nan 0.000 0.459 504 V N 2.366 122.338 119.914 0.097 0.000 2.604 504 V HA 0.426 4.546 4.120 0.000 0.000 0.305 504 V C -0.675 175.483 176.094 0.106 0.000 1.043 504 V CA -0.761 61.603 62.300 0.107 0.000 0.888 504 V CB 1.984 33.901 31.823 0.158 0.000 0.995 504 V HN 0.871 nan 8.190 nan 0.000 0.429 505 N N 3.203 121.971 118.700 0.114 0.000 2.617 505 N HA 0.567 5.307 4.740 0.000 0.000 0.263 505 N C -0.696 174.968 175.510 0.256 0.000 1.074 505 N CA -0.191 52.944 53.050 0.142 0.000 0.841 505 N CB 1.597 40.124 38.487 0.067 0.000 1.221 505 N HN 0.862 nan 8.380 nan 0.000 0.529 506 A N 3.528 126.524 122.820 0.294 0.000 2.249 506 A HA 0.369 4.689 4.320 0.000 0.000 0.314 506 A C -0.403 177.442 177.584 0.436 0.000 1.290 506 A CA -0.517 51.751 52.037 0.384 0.000 0.893 506 A CB 0.047 19.262 19.000 0.358 0.000 1.165 506 A HN 0.795 nan 8.150 nan 0.000 0.530 507 H N 1.189 120.443 119.070 0.306 0.000 2.505 507 H HA 0.230 4.786 4.556 0.000 0.000 0.351 507 H C 0.080 175.652 175.328 0.406 0.000 1.151 507 H CA 0.092 56.329 56.048 0.315 0.000 1.339 507 H CB 0.920 30.877 29.762 0.326 0.000 1.483 507 H HN 0.937 nan 8.280 nan 0.000 0.558 508 E N -1.464 118.988 120.200 0.420 0.000 3.673 508 E HA -0.223 4.127 4.350 0.000 0.000 0.309 508 E C -0.279 176.541 176.600 0.367 0.000 0.819 508 E CA 0.756 57.399 56.400 0.405 0.000 1.111 508 E CB -1.160 28.849 29.700 0.516 0.000 1.561 508 E HN 0.685 nan 8.360 nan 0.000 0.450 509 A N 0.079 122.973 122.820 0.123 0.000 2.272 509 A HA 0.555 4.875 4.320 0.000 0.000 0.275 509 A C 0.631 178.141 177.584 -0.123 0.000 1.096 509 A CA 0.221 51.969 52.037 -0.482 0.000 0.822 509 A CB 0.483 19.013 19.000 -0.784 0.000 1.088 509 A HN 0.065 nan 8.150 nan 0.000 0.495 510 T N 1.471 115.923 114.554 -0.170 0.000 2.934 510 T HA 0.302 4.652 4.350 0.000 0.000 0.306 510 T C 0.596 175.259 174.700 -0.062 0.000 1.042 510 T CA 0.268 62.384 62.100 0.028 0.000 1.145 510 T CB -0.070 68.947 68.868 0.248 0.000 0.982 510 T HN 0.724 nan 8.240 nan 0.000 0.544 511 R N 4.150 124.580 120.500 -0.117 0.000 2.623 511 R HA 0.240 4.580 4.340 0.000 0.000 0.271 511 R C -2.469 173.870 176.300 0.066 0.000 1.043 511 R CA -1.220 54.879 56.100 -0.003 0.000 1.083 511 R CB -0.826 29.481 30.300 0.011 0.000 0.974 511 R HN 0.300 nan 8.270 nan 0.000 0.436 512 P HA 0.003 nan 4.420 nan 0.000 0.269 512 P C -0.443 176.945 177.300 0.148 0.000 1.209 512 P CA -0.124 63.054 63.100 0.131 0.000 0.776 512 P CB 0.967 32.757 31.700 0.150 0.000 0.876 513 T N -2.708 111.901 114.554 0.092 0.000 3.460 513 T HA 0.463 4.813 4.350 0.000 0.000 0.304 513 T C 0.940 175.650 174.700 0.016 0.000 0.991 513 T CA 0.137 62.237 62.100 0.000 0.000 0.975 513 T CB -0.720 68.103 68.868 -0.075 0.000 1.196 513 T HN 0.688 nan 8.240 nan 0.000 0.490 514 G N 1.640 110.483 108.800 0.070 0.000 2.157 514 G HA2 -0.250 3.710 3.960 0.000 0.000 0.248 514 G HA3 -0.250 3.710 3.960 0.000 0.000 0.248 514 G C 0.731 175.661 174.900 0.050 0.000 0.979 514 G CA 0.147 45.280 45.100 0.055 0.000 0.650 514 G HN 0.606 nan 8.290 nan 0.000 0.529 515 I N 1.244 121.868 120.570 0.090 0.000 2.850 515 I HA -0.194 3.976 4.170 0.000 0.000 0.266 515 I C 3.033 179.226 176.117 0.126 0.000 1.257 515 I CA 1.330 62.700 61.300 0.117 0.000 1.465 515 I CB -0.533 37.575 38.000 0.181 0.000 1.091 515 I HN 0.640 nan 8.210 nan 0.000 0.467 516 C N 0.132 119.506 119.300 0.123 0.000 2.419 516 C HA -0.123 4.337 4.460 0.000 0.000 0.283 516 C C 2.848 177.794 174.990 -0.075 0.000 1.373 516 C CA 0.339 59.419 59.018 0.103 0.000 1.781 516 C CB -1.513 26.324 27.740 0.162 0.000 1.886 516 C HN 0.528 nan 8.230 nan 0.000 0.520 517 R N 1.509 121.954 120.500 -0.092 0.000 2.075 517 R HA -0.110 4.230 4.340 0.000 0.000 0.232 517 R C 2.096 178.258 176.300 -0.231 0.000 1.126 517 R CA 2.200 58.198 56.100 -0.170 0.000 0.963 517 R CB -0.548 29.610 30.300 -0.237 0.000 0.858 517 R HN 0.610 nan 8.270 nan 0.000 0.435 518 T N -0.788 113.633 114.554 -0.221 0.000 2.812 518 T HA -0.073 4.277 4.350 0.000 0.000 0.264 518 T C -0.123 174.221 174.700 -0.593 0.000 1.042 518 T CA 1.094 62.954 62.100 -0.400 0.000 1.140 518 T CB -0.054 68.593 68.868 -0.369 0.000 0.870 518 T HN 0.195 nan 8.240 nan 0.000 0.445 519 Y N 0.552 120.854 120.300 0.004 0.000 2.787 519 Y HA 0.363 4.913 4.550 0.000 0.000 0.352 519 Y C -2.276 173.662 175.900 0.064 0.000 1.027 519 Y CA -2.998 55.130 58.100 0.048 0.000 1.219 519 Y CB 1.408 39.920 38.460 0.087 0.000 1.110 519 Y HN 0.063 nan 8.280 nan 0.000 0.614 520 P HA -0.146 nan 4.420 nan 0.000 0.226 520 P C 1.026 178.519 177.300 0.322 0.000 1.146 520 P CA 1.280 64.438 63.100 0.096 0.000 0.773 520 P CB 0.281 31.915 31.700 -0.111 0.000 0.772 521 N N -0.313 118.512 118.700 0.208 0.000 2.515 521 N HA -0.065 4.675 4.740 0.000 0.000 0.185 521 N C 0.458 176.112 175.510 0.241 0.000 1.109 521 N CA 0.259 53.419 53.050 0.184 0.000 0.903 521 N CB -0.589 38.063 38.487 0.276 0.000 0.969 521 N HN 0.147 nan 8.380 nan 0.000 0.450 522 L N 2.343 123.750 121.223 0.307 0.000 2.375 522 L HA 0.269 4.609 4.340 0.000 0.000 0.276 522 L C 1.038 178.096 176.870 0.314 0.000 1.162 522 L CA -0.390 54.613 54.840 0.271 0.000 0.991 522 L CB -0.312 41.912 42.059 0.274 0.000 1.315 522 L HN 0.194 nan 8.230 nan 0.000 0.431 523 I N 0.388 121.028 120.570 0.117 0.000 3.564 523 I HA 0.509 4.679 4.170 0.000 0.000 0.294 523 I C 0.756 176.774 176.117 -0.166 0.000 1.289 523 I CA 0.211 61.395 61.300 -0.192 0.000 1.325 523 I CB -0.403 37.367 38.000 -0.382 0.000 1.039 523 I HN 0.565 nan 8.210 nan 0.000 0.474 524 G N 0.466 109.277 108.800 0.018 0.000 2.489 524 G HA2 0.512 4.473 3.960 0.000 0.000 0.291 524 G HA3 0.512 4.473 3.960 0.000 0.000 0.291 524 G C -2.103 172.864 174.900 0.113 0.000 1.487 524 G CA -0.822 44.303 45.100 0.042 0.000 0.795 524 G HN 0.276 nan 8.290 nan 0.000 0.513 525 N N -1.093 117.665 118.700 0.096 0.000 2.591 525 N HA 0.387 5.127 4.740 0.000 0.000 0.263 525 N C 0.399 175.902 175.510 -0.013 0.000 1.308 525 N CA -0.786 52.317 53.050 0.089 0.000 0.837 525 N CB 3.205 41.742 38.487 0.082 0.000 1.548 525 N HN 0.617 nan 8.380 nan 0.000 0.493 526 E N 0.170 120.284 120.200 -0.143 0.000 2.068 526 E HA 0.164 4.514 4.350 0.000 0.000 0.201 526 E C -0.448 176.143 176.600 -0.014 0.000 0.947 526 E CA 0.440 56.693 56.400 -0.244 0.000 0.909 526 E CB 0.120 29.453 29.700 -0.613 0.000 1.015 526 E HN 0.514 nan 8.360 nan 0.000 0.484 527 S N -0.097 115.625 115.700 0.037 0.000 3.614 527 S HA -0.151 4.319 4.470 0.000 0.000 0.360 527 S C -0.355 174.301 174.600 0.092 0.000 1.023 527 S CA 0.447 58.697 58.200 0.083 0.000 1.114 527 S CB -1.882 61.350 63.200 0.053 0.000 0.907 527 S HN 0.703 nan 8.310 nan 0.000 0.470 528 A N -0.014 122.876 122.820 0.117 0.000 2.490 528 A HA 0.714 5.034 4.320 0.000 0.000 0.292 528 A C -0.519 177.173 177.584 0.180 0.000 1.047 528 A CA -0.780 51.345 52.037 0.148 0.000 0.632 528 A CB 0.703 19.819 19.000 0.193 0.000 1.323 528 A HN 0.312 nan 8.150 nan 0.000 0.448 529 R N 0.472 121.098 120.500 0.210 0.000 2.288 529 R HA 0.447 4.787 4.340 0.000 0.000 0.330 529 R C 0.542 177.096 176.300 0.422 0.000 1.069 529 R CA 0.836 57.031 56.100 0.158 0.000 0.941 529 R CB 0.307 30.554 30.300 -0.089 0.000 0.998 529 R HN 1.052 nan 8.270 nan 0.000 0.452 530 G N 1.081 110.087 108.800 0.343 0.000 2.671 530 G HA2 0.061 4.021 3.960 0.000 0.000 0.275 530 G HA3 0.061 4.021 3.960 0.000 0.000 0.275 530 G C 0.526 175.352 174.900 -0.124 0.000 1.368 530 G CA -0.421 44.725 45.100 0.076 0.000 1.044 530 G HN 0.546 nan 8.290 nan 0.000 0.543 531 T N 0.236 114.452 114.554 -0.565 0.000 2.849 531 T HA -0.131 4.219 4.350 0.000 0.000 0.270 531 T C 2.217 176.941 174.700 0.040 0.000 1.066 531 T CA 1.911 63.833 62.100 -0.296 0.000 1.130 531 T CB -0.263 68.399 68.868 -0.342 0.000 0.864 531 T HN 0.770 nan 8.240 nan 0.000 0.481 532 E N 0.283 120.568 120.200 0.140 0.000 2.130 532 E HA -0.232 4.118 4.350 0.000 0.000 0.196 532 E C 1.436 177.606 176.600 -0.717 0.000 0.998 532 E CA 1.408 57.743 56.400 -0.108 0.000 0.806 532 E CB -0.685 29.034 29.700 0.033 0.000 0.738 532 E HN 0.580 nan 8.360 nan 0.000 0.459 533 Y N 1.468 121.604 120.300 -0.273 0.000 2.571 533 Y HA -0.019 4.531 4.550 0.000 0.000 0.294 533 Y C 1.970 177.799 175.900 -0.119 0.000 1.141 533 Y CA 0.899 58.901 58.100 -0.163 0.000 1.308 533 Y CB 0.226 38.729 38.460 0.072 0.000 1.002 533 Y HN 0.046 nan 8.280 nan 0.000 0.551 534 E N -1.032 119.172 120.200 0.006 0.000 2.418 534 E HA -0.121 4.229 4.350 0.000 0.000 0.197 534 E C 1.934 178.548 176.600 0.023 0.000 1.026 534 E CA 0.762 57.195 56.400 0.054 0.000 0.862 534 E CB 0.070 29.831 29.700 0.102 0.000 0.799 534 E HN 0.251 nan 8.360 nan 0.000 0.518 535 S N -0.922 114.670 115.700 -0.181 0.000 2.511 535 S HA 0.124 4.594 4.470 0.000 0.000 0.214 535 S C 0.838 175.389 174.600 -0.082 0.000 0.997 535 S CA -0.417 57.610 58.200 -0.289 0.000 0.908 535 S CB 0.069 62.824 63.200 -0.742 0.000 0.803 535 S HN 0.160 nan 8.310 nan 0.000 0.504 536 F N 1.083 120.997 119.950 -0.060 0.000 2.837 536 F HA 0.413 4.940 4.527 0.000 0.000 0.298 536 F C 1.686 177.519 175.800 0.055 0.000 1.161 536 F CA -0.164 57.809 58.000 -0.044 0.000 1.353 536 F CB 0.775 39.692 39.000 -0.139 0.000 0.951 536 F HN 0.411 nan 8.300 nan 0.000 0.508 537 G N 0.023 108.941 108.800 0.198 0.000 2.316 537 G HA2 0.120 4.080 3.960 0.000 0.000 0.203 537 G HA3 0.120 4.080 3.960 0.000 0.000 0.203 537 G C 0.364 175.328 174.900 0.106 0.000 0.999 537 G CA -0.314 44.874 45.100 0.148 0.000 0.649 537 G HN 1.037 nan 8.290 nan 0.000 0.489 538 G N -0.586 108.276 108.800 0.104 0.000 2.587 538 G HA2 0.318 4.278 3.960 0.000 0.000 0.686 538 G HA3 0.318 4.278 3.960 0.000 0.000 0.686 538 G C -0.985 173.910 174.900 -0.008 0.000 1.236 538 G CA 0.018 45.136 45.100 0.031 0.000 0.820 538 G HN 0.967 nan 8.290 nan 0.000 0.645 539 N N 0.290 118.943 118.700 -0.078 0.000 2.430 539 N HA 0.455 5.195 4.740 0.000 0.000 0.298 539 N C 0.312 175.676 175.510 -0.242 0.000 1.130 539 N CA -0.599 52.349 53.050 -0.170 0.000 0.894 539 N CB 1.386 39.781 38.487 -0.154 0.000 1.209 539 N HN 0.667 nan 8.380 nan 0.000 0.503 540 K N 0.409 120.635 120.400 -0.290 0.000 2.469 540 K HA 0.039 4.359 4.320 0.000 0.000 0.274 540 K C 1.010 177.362 176.600 -0.413 0.000 0.983 540 K CA -0.237 55.790 56.287 -0.434 0.000 0.974 540 K CB 0.651 32.752 32.500 -0.664 0.000 0.913 540 K HN 0.216 nan 8.250 nan 0.000 0.493 541 V N 2.396 121.999 119.914 -0.520 0.000 2.380 541 V HA -0.286 3.834 4.120 0.000 0.000 0.251 541 V C 1.722 177.735 176.094 -0.135 0.000 1.063 541 V CA 1.748 63.800 62.300 -0.414 0.000 1.055 541 V CB -0.982 30.598 31.823 -0.406 0.000 0.657 541 V HN 0.817 nan 8.190 nan 0.000 0.455 542 Y N -2.115 118.179 120.300 -0.011 0.000 2.490 542 Y HA 0.188 4.738 4.550 0.000 0.000 0.281 542 Y C 2.278 178.206 175.900 0.047 0.000 1.174 542 Y CA 0.332 58.443 58.100 0.018 0.000 1.295 542 Y CB -0.771 37.709 38.460 0.033 0.000 1.062 542 Y HN 0.260 nan 8.280 nan 0.000 0.522 543 H N 2.541 121.748 119.070 0.229 0.000 2.289 543 H HA -0.212 4.344 4.556 0.000 0.000 0.294 543 H C 2.191 177.558 175.328 0.065 0.000 1.095 543 H CA 2.899 59.075 56.048 0.213 0.000 1.256 543 H CB -0.500 29.351 29.762 0.149 0.000 1.359 543 H HN 0.482 nan 8.280 nan 0.000 0.487 544 T N -2.829 111.700 114.554 -0.042 0.000 3.163 544 T HA -0.077 4.273 4.350 0.000 0.000 0.260 544 T C 1.642 176.229 174.700 -0.189 0.000 1.156 544 T CA 1.064 63.019 62.100 -0.242 0.000 1.072 544 T CB -0.648 68.078 68.868 -0.236 0.000 0.937 544 T HN 0.549 nan 8.240 nan 0.000 0.528 545 T N -1.586 112.908 114.554 -0.099 0.000 3.086 545 T HA 0.402 4.752 4.350 0.000 0.000 0.250 545 T C 1.502 176.122 174.700 -0.134 0.000 1.074 545 T CA -0.265 61.775 62.100 -0.100 0.000 0.988 545 T CB -0.367 68.462 68.868 -0.066 0.000 0.988 545 T HN 0.485 nan 8.240 nan 0.000 0.530 546 I N -0.411 120.029 120.570 -0.217 0.000 3.812 546 I HA 0.246 4.416 4.170 0.000 0.000 0.292 546 I C 2.097 177.988 176.117 -0.376 0.000 1.206 546 I CA -0.040 61.042 61.300 -0.363 0.000 1.370 546 I CB 0.073 37.739 38.000 -0.558 0.000 1.328 546 I HN 0.093 nan 8.210 nan 0.000 0.453 547 L N 1.711 122.693 121.223 -0.402 0.000 2.051 547 L HA -0.191 4.149 4.340 0.000 0.000 0.214 547 L C -0.507 176.211 176.870 -0.253 0.000 1.076 547 L CA 2.024 56.669 54.840 -0.324 0.000 0.758 547 L CB -1.866 39.970 42.059 -0.373 0.000 0.890 547 L HN 0.192 nan 8.230 nan 0.000 0.433 548 P HA -0.153 nan 4.420 nan 0.000 0.220 548 P C 1.261 178.301 177.300 -0.433 0.000 1.148 548 P CA 1.427 64.314 63.100 -0.356 0.000 0.803 548 P CB 0.003 31.430 31.700 -0.455 0.000 0.782 549 F N -1.267 118.478 119.950 -0.341 0.000 2.743 549 F HA 0.004 4.531 4.527 0.000 0.000 0.297 549 F C 2.006 177.621 175.800 -0.308 0.000 1.131 549 F CA 1.150 58.937 58.000 -0.355 0.000 1.426 549 F CB -0.526 38.199 39.000 -0.458 0.000 1.116 549 F HN 0.018 nan 8.300 nan 0.000 0.583 550 T N -2.721 111.756 114.554 -0.129 0.000 3.409 550 T HA 0.130 4.480 4.350 0.000 0.000 0.188 550 T C 1.816 176.445 174.700 -0.118 0.000 0.929 550 T CA 0.037 62.061 62.100 -0.127 0.000 1.184 550 T CB -0.410 68.399 68.868 -0.098 0.000 1.570 550 T HN -0.129 nan 8.240 nan 0.000 0.367 551 R N 1.534 122.019 120.500 -0.026 0.000 2.103 551 R HA 0.104 4.444 4.340 0.000 0.000 0.242 551 R C 2.308 178.605 176.300 -0.005 0.000 1.142 551 R CA 1.699 57.808 56.100 0.015 0.000 0.960 551 R CB -1.633 28.714 30.300 0.078 0.000 0.858 551 R HN 0.615 nan 8.270 nan 0.000 0.439 552 L N 0.410 121.609 121.223 -0.040 0.000 2.362 552 L HA 0.019 4.359 4.340 0.000 0.000 0.219 552 L C 0.240 177.120 176.870 0.016 0.000 1.134 552 L CA 0.091 54.931 54.840 -0.000 0.000 0.807 552 L CB -0.205 41.836 42.059 -0.030 0.000 0.927 552 L HN -0.042 nan 8.230 nan 0.000 0.447 553 V N 1.175 121.065 119.914 -0.039 0.000 2.403 553 V HA 0.313 4.433 4.120 0.000 0.000 0.265 553 V C 1.136 177.316 176.094 0.144 0.000 1.034 553 V CA 0.954 63.252 62.300 -0.003 0.000 1.036 553 V CB 0.146 31.923 31.823 -0.077 0.000 1.032 553 V HN 0.603 nan 8.190 nan 0.000 0.478 554 G N 3.387 112.276 108.800 0.150 0.000 2.336 554 G HA2 0.201 4.161 3.960 0.000 0.000 0.194 554 G HA3 0.201 4.161 3.960 0.000 0.000 0.194 554 G C 0.368 175.370 174.900 0.171 0.000 0.999 554 G CA -0.194 45.013 45.100 0.178 0.000 0.669 554 G HN 1.766 nan 8.290 nan 0.000 0.482 555 G N -0.346 108.566 108.800 0.187 0.000 2.358 555 G HA2 0.621 4.582 3.960 0.000 0.000 0.301 555 G HA3 0.621 4.582 3.960 0.000 0.000 0.301 555 G C -3.246 171.796 174.900 0.238 0.000 1.539 555 G CA 0.183 45.432 45.100 0.247 0.000 0.893 555 G HN 0.518 nan 8.290 nan 0.000 0.636 556 P HA 0.370 nan 4.420 nan 0.000 0.272 556 P C -0.381 176.960 177.300 0.067 0.000 1.240 556 P CA -0.201 62.981 63.100 0.137 0.000 0.791 556 P CB 1.220 32.914 31.700 -0.010 0.000 0.978 557 M N 1.314 120.927 119.600 0.021 0.000 2.465 557 M HA 0.271 4.751 4.480 0.000 0.000 0.316 557 M C -0.765 175.560 176.300 0.041 0.000 1.121 557 M CA -0.692 54.634 55.300 0.044 0.000 0.934 557 M CB 1.647 34.293 32.600 0.077 0.000 1.692 557 M HN 0.090 nan 8.290 nan 0.000 0.444 558 D N 2.738 123.170 120.400 0.053 0.000 2.517 558 D HA 0.050 4.690 4.640 0.000 0.000 0.220 558 D C 0.070 176.429 176.300 0.098 0.000 1.158 558 D CA 0.237 54.291 54.000 0.089 0.000 0.992 558 D CB -0.123 40.782 40.800 0.175 0.000 1.058 558 D HN 0.592 nan 8.370 nan 0.000 0.516 559 Y N 2.755 123.039 120.300 -0.027 0.000 2.519 559 Y HA -0.038 4.512 4.550 -0.000 0.000 0.287 559 Y C 1.119 177.014 175.900 -0.008 0.000 1.128 559 Y CA 1.233 59.330 58.100 -0.006 0.000 1.282 559 Y CB 0.081 38.517 38.460 -0.039 0.000 1.027 559 Y HN 0.440 nan 8.280 nan 0.000 0.551 560 T N -0.270 114.238 114.554 -0.076 0.000 3.580 560 T HA -0.148 4.202 4.350 0.000 0.000 0.402 560 T C -2.384 172.223 174.700 -0.156 0.000 0.765 560 T CA 0.154 62.141 62.100 -0.188 0.000 2.064 560 T CB -2.046 66.622 68.868 -0.333 0.000 1.724 560 T HN 0.349 nan 8.240 nan 0.000 0.719 561 P HA 0.556 nan 4.420 nan 0.000 0.297 561 P C 1.268 178.585 177.300 0.029 0.000 1.303 561 P CA 0.959 64.027 63.100 -0.053 0.000 0.753 561 P CB 0.088 31.665 31.700 -0.204 0.000 1.281 562 G N -1.362 107.537 108.800 0.164 0.000 2.140 562 G HA2 -0.134 3.826 3.960 0.000 0.000 0.211 562 G HA3 -0.134 3.826 3.960 0.000 0.000 0.211 562 G C -0.111 174.826 174.900 0.062 0.000 1.013 562 G CA -0.516 44.754 45.100 0.284 0.000 0.705 562 G HN 0.388 nan 8.290 nan 0.000 0.508 563 I N 1.191 121.754 120.570 -0.011 0.000 2.337 563 I HA 0.347 4.517 4.170 0.000 0.000 0.291 563 I C 1.315 177.542 176.117 0.183 0.000 1.046 563 I CA -0.480 60.733 61.300 -0.144 0.000 1.324 563 I CB 0.088 37.934 38.000 -0.257 0.000 1.409 563 I HN 0.152 nan 8.210 nan 0.000 0.494 564 F N 2.691 122.563 119.950 -0.129 0.000 2.374 564 F HA 0.073 4.600 4.527 -0.000 0.000 0.291 564 F C 1.303 177.041 175.800 -0.104 0.000 1.084 564 F CA 0.024 57.948 58.000 -0.127 0.000 1.413 564 F CB 0.585 39.537 39.000 -0.081 0.000 1.099 564 F HN 0.376 nan 8.300 nan 0.000 0.534 565 E N 1.498 121.804 120.200 0.177 0.000 1.936 565 E HA 0.048 4.398 4.350 0.000 0.000 0.267 565 E C 0.858 177.555 176.600 0.162 0.000 1.076 565 E CA -0.025 56.491 56.400 0.192 0.000 0.870 565 E CB 0.843 30.668 29.700 0.208 0.000 1.093 565 E HN 0.248 nan 8.360 nan 0.000 0.411 566 T N -0.632 113.981 114.554 0.099 0.000 3.113 566 T HA -0.056 4.294 4.350 0.000 0.000 0.263 566 T C 0.685 175.364 174.700 -0.036 0.000 1.143 566 T CA 0.601 62.720 62.100 0.033 0.000 1.090 566 T CB -0.041 68.810 68.868 -0.029 0.000 0.922 566 T HN 0.263 nan 8.240 nan 0.000 0.521 567 H N 0.454 119.615 119.070 0.151 0.000 2.690 567 H HA 0.314 4.870 4.556 -0.000 0.000 0.289 567 H C 0.754 176.146 175.328 0.108 0.000 1.089 567 H CA -0.963 55.158 56.048 0.122 0.000 1.299 567 H CB 0.790 30.610 29.762 0.096 0.000 1.405 567 H HN 0.271 nan 8.280 nan 0.000 0.463 568 C N 2.522 121.923 119.300 0.169 0.000 2.422 568 C HA -0.148 4.312 4.460 0.000 0.000 0.286 568 C C 2.203 177.210 174.990 0.028 0.000 1.412 568 C CA 0.867 59.925 59.018 0.067 0.000 1.786 568 C CB -1.069 26.653 27.740 -0.030 0.000 1.835 568 C HN 0.807 nan 8.230 nan 0.000 0.533 569 N N 1.347 120.092 118.700 0.075 0.000 2.453 569 N HA -0.121 4.619 4.740 0.000 0.000 0.183 569 N C 1.230 176.753 175.510 0.021 0.000 1.041 569 N CA 1.019 54.089 53.050 0.033 0.000 0.900 569 N CB -0.571 37.941 38.487 0.040 0.000 0.961 569 N HN 0.472 nan 8.380 nan 0.000 0.443 570 K N -0.746 119.687 120.400 0.055 0.000 2.296 570 K HA 0.150 4.470 4.320 0.000 0.000 0.200 570 K C 1.324 177.930 176.600 0.010 0.000 1.048 570 K CA 0.567 56.880 56.287 0.043 0.000 0.966 570 K CB 0.035 32.588 32.500 0.089 0.000 0.754 570 K HN 0.231 nan 8.250 nan 0.000 0.466 571 M N 0.209 119.802 119.600 -0.013 0.000 2.412 571 M HA 0.014 4.494 4.480 0.000 0.000 0.263 571 M C 0.384 176.621 176.300 -0.105 0.000 1.122 571 M CA 0.889 56.146 55.300 -0.073 0.000 1.179 571 M CB -0.459 32.049 32.600 -0.153 0.000 1.335 571 M HN -0.039 nan 8.290 nan 0.000 0.465 572 N N 0.179 118.817 118.700 -0.104 0.000 2.558 572 N HA 0.263 5.003 4.740 0.000 0.000 0.285 572 N C -2.453 173.020 175.510 -0.061 0.000 1.112 572 N CA -1.644 51.346 53.050 -0.099 0.000 0.857 572 N CB 1.893 40.295 38.487 -0.142 0.000 1.376 572 N HN -0.245 nan 8.380 nan 0.000 0.526 573 P HA -0.133 nan 4.420 nan 0.000 0.218 573 P C 0.580 177.866 177.300 -0.024 0.000 1.146 573 P CA 1.380 64.464 63.100 -0.028 0.000 0.820 573 P CB 0.312 31.996 31.700 -0.028 0.000 0.778 574 A N -1.665 121.135 122.820 -0.033 0.000 2.208 574 A HA -0.032 4.288 4.320 0.000 0.000 0.209 574 A C 1.048 178.619 177.584 -0.022 0.000 1.161 574 A CA 0.191 52.213 52.037 -0.026 0.000 0.782 574 A CB -1.049 17.932 19.000 -0.032 0.000 0.816 574 A HN 0.224 nan 8.150 nan 0.000 0.477 575 N N 0.316 118.998 118.700 -0.031 0.000 2.485 575 N HA 0.195 4.935 4.740 0.000 0.000 0.243 575 N C -0.363 175.152 175.510 0.009 0.000 0.987 575 N CA -0.286 52.749 53.050 -0.025 0.000 0.940 575 N CB 0.133 38.576 38.487 -0.074 0.000 1.122 575 N HN 0.336 nan 8.380 nan 0.000 0.509 576 N N 1.116 119.836 118.700 0.033 0.000 2.276 576 N HA -0.018 4.722 4.740 0.000 0.000 0.212 576 N C -0.406 175.161 175.510 0.094 0.000 1.127 576 N CA -0.261 52.829 53.050 0.067 0.000 0.834 576 N CB 0.570 39.093 38.487 0.060 0.000 1.014 576 N HN 0.296 nan 8.380 nan 0.000 0.491 577 S N 0.878 116.623 115.700 0.076 0.000 2.576 577 S HA 0.078 4.548 4.470 0.000 0.000 0.276 577 S C -0.302 174.364 174.600 0.109 0.000 1.339 577 S CA -0.149 58.104 58.200 0.089 0.000 1.039 577 S CB 0.998 64.235 63.200 0.062 0.000 0.902 577 S HN 0.241 nan 8.310 nan 0.000 0.516 578 Q N 3.428 123.303 119.800 0.124 0.000 2.321 578 Q HA 0.452 4.792 4.340 0.000 0.000 0.270 578 Q C -1.415 174.650 176.000 0.108 0.000 1.032 578 Q CA -0.824 55.044 55.803 0.108 0.000 0.784 578 Q CB 1.590 30.419 28.738 0.153 0.000 1.264 578 Q HN 0.573 nan 8.270 nan 0.000 0.448 579 V N 4.629 124.593 119.914 0.084 0.000 2.529 579 V HA 0.072 4.192 4.120 0.000 0.000 0.292 579 V C 0.576 176.708 176.094 0.063 0.000 1.028 579 V CA 0.341 62.684 62.300 0.072 0.000 1.074 579 V CB 0.421 32.297 31.823 0.089 0.000 0.958 579 V HN 0.693 nan 8.190 nan 0.000 0.481 580 R N 3.657 124.084 120.500 -0.122 0.000 3.710 580 R HA 0.390 4.730 4.340 0.000 0.000 0.201 580 R C 0.089 176.269 176.300 -0.200 0.000 1.641 580 R CA 0.137 55.959 56.100 -0.462 0.000 1.390 580 R CB 0.241 29.962 30.300 -0.965 0.000 1.341 580 R HN 0.699 nan 8.270 nan 0.000 0.728 581 S N 0.067 115.831 115.700 0.107 0.000 2.595 581 S HA 0.300 4.770 4.470 0.000 0.000 0.270 581 S C -0.498 174.218 174.600 0.194 0.000 1.145 581 S CA -0.689 57.593 58.200 0.136 0.000 0.825 581 S CB 1.670 64.923 63.200 0.089 0.000 1.107 581 S HN 0.429 nan 8.310 nan 0.000 0.461 582 T N 0.728 115.376 114.554 0.157 0.000 2.936 582 T HA 0.578 4.928 4.350 0.000 0.000 0.282 582 T C 1.642 176.379 174.700 0.061 0.000 1.003 582 T CA -0.826 61.345 62.100 0.118 0.000 1.005 582 T CB 0.555 69.494 68.868 0.119 0.000 1.097 582 T HN 0.534 nan 8.240 nan 0.000 0.532 583 I N 0.875 121.436 120.570 -0.015 0.000 2.226 583 I HA -0.133 4.037 4.170 0.000 0.000 0.245 583 I C 2.985 179.050 176.117 -0.087 0.000 1.100 583 I CA 1.553 62.765 61.300 -0.145 0.000 1.374 583 I CB -0.753 36.950 38.000 -0.495 0.000 1.057 583 I HN 0.894 nan 8.210 nan 0.000 0.413 584 A N 0.553 123.353 122.820 -0.034 0.000 1.940 584 A HA -0.244 4.076 4.320 0.000 0.000 0.219 584 A C 2.452 180.048 177.584 0.021 0.000 1.176 584 A CA 1.457 53.499 52.037 0.008 0.000 0.631 584 A CB -0.583 18.474 19.000 0.095 0.000 0.814 584 A HN 0.290 nan 8.150 nan 0.000 0.446 585 R N -0.752 119.773 120.500 0.041 0.000 2.115 585 R HA -0.105 4.235 4.340 0.000 0.000 0.230 585 R C 2.000 178.337 176.300 0.063 0.000 1.111 585 R CA 1.310 57.428 56.100 0.029 0.000 0.976 585 R CB -0.291 30.034 30.300 0.041 0.000 0.870 585 R HN 0.537 nan 8.270 nan 0.000 0.445 586 Q N 0.607 120.479 119.800 0.119 0.000 2.124 586 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 586 Q C 2.281 178.462 176.000 0.302 0.000 0.977 586 Q CA 1.135 57.061 55.803 0.205 0.000 0.850 586 Q CB -0.228 28.689 28.738 0.299 0.000 0.901 586 Q HN 0.396 nan 8.270 nan 0.000 0.429 587 L N -0.104 121.272 121.223 0.256 0.000 2.056 587 L HA -0.135 4.205 4.340 0.000 0.000 0.207 587 L C 2.430 179.435 176.870 0.225 0.000 1.078 587 L CA 1.026 56.031 54.840 0.275 0.000 0.749 587 L CB -0.702 41.298 42.059 -0.097 0.000 0.901 587 L HN 0.102 nan 8.230 nan 0.000 0.433 588 A N 0.281 123.120 122.820 0.032 0.000 1.978 588 A HA -0.158 4.162 4.320 0.000 0.000 0.220 588 A C 2.226 179.847 177.584 0.061 0.000 1.170 588 A CA 1.278 53.309 52.037 -0.010 0.000 0.636 588 A CB -0.692 18.244 19.000 -0.107 0.000 0.810 588 A HN 0.397 nan 8.150 nan 0.000 0.448 589 L N -2.027 119.221 121.223 0.042 0.000 2.265 589 L HA -0.202 4.138 4.340 0.000 0.000 0.215 589 L C 2.093 178.893 176.870 -0.117 0.000 1.117 589 L CA 1.017 55.808 54.840 -0.082 0.000 0.782 589 L CB -0.660 41.317 42.059 -0.137 0.000 0.914 589 L HN 0.476 nan 8.230 nan 0.000 0.441 590 Y N -1.162 119.224 120.300 0.144 0.000 2.574 590 Y HA -0.113 4.438 4.550 0.000 0.000 0.294 590 Y C 2.120 178.123 175.900 0.170 0.000 1.142 590 Y CA 0.547 58.740 58.100 0.155 0.000 1.314 590 Y CB -0.095 38.472 38.460 0.179 0.000 0.991 590 Y HN -0.055 nan 8.280 nan 0.000 0.555 591 V N -2.012 118.040 119.914 0.231 0.000 3.151 591 V HA -0.086 4.034 4.120 0.000 0.000 0.241 591 V C 2.079 178.157 176.094 -0.028 0.000 1.173 591 V CA 1.515 63.869 62.300 0.091 0.000 1.154 591 V CB -0.192 31.703 31.823 0.121 0.000 0.898 591 V HN 0.417 nan 8.190 nan 0.000 0.473 592 T N -2.747 111.783 114.554 -0.039 0.000 3.081 592 T HA 0.140 4.490 4.350 0.000 0.000 0.255 592 T C 0.790 175.420 174.700 -0.117 0.000 1.113 592 T CA 0.493 62.535 62.100 -0.096 0.000 1.082 592 T CB -0.052 68.741 68.868 -0.124 0.000 0.939 592 T HN 0.115 nan 8.240 nan 0.000 0.506 593 M N 2.350 121.885 119.600 -0.109 0.000 2.325 593 M HA 0.352 4.832 4.480 0.000 0.000 0.305 593 M C -0.918 175.352 176.300 -0.049 0.000 1.047 593 M CA -1.799 53.417 55.300 -0.141 0.000 0.981 593 M CB 0.053 32.499 32.600 -0.257 0.000 1.307 593 M HN 0.360 nan 8.290 nan 0.000 0.418 594 Y N 1.746 122.015 120.300 -0.051 0.000 2.712 594 Y HA 0.214 4.764 4.550 0.000 0.000 0.333 594 Y C 0.156 176.098 175.900 0.070 0.000 1.225 594 Y CA 1.186 59.310 58.100 0.040 0.000 1.499 594 Y CB 0.535 39.022 38.460 0.044 0.000 1.288 594 Y HN 0.679 nan 8.280 nan 0.000 0.575 595 S N 6.530 121.555 115.700 -1.126 0.000 2.604 595 S HA 0.251 4.721 4.470 0.000 0.000 0.296 595 S C -2.593 171.599 174.600 -0.681 0.000 1.097 595 S CA -0.834 56.821 58.200 -0.908 0.000 0.883 595 S CB 1.540 64.521 63.200 -0.365 0.000 1.081 595 S HN 0.554 nan 8.310 nan 0.000 0.448 596 P HA 0.199 nan 4.420 nan 0.000 0.245 596 P C 0.009 177.075 177.300 -0.390 0.000 1.206 596 P CA 0.121 62.913 63.100 -0.512 0.000 0.781 596 P CB 0.023 31.190 31.700 -0.889 0.000 0.994 597 L N 1.010 122.043 121.223 -0.317 0.000 2.345 597 L HA 0.436 4.776 4.340 0.000 0.000 0.274 597 L C -0.898 175.983 176.870 0.019 0.000 0.999 597 L CA -0.264 54.499 54.840 -0.129 0.000 0.849 597 L CB 1.235 43.208 42.059 -0.142 0.000 1.220 597 L HN -0.240 nan 8.230 nan 0.000 0.422 598 Q N 5.892 125.768 119.800 0.126 0.000 2.325 598 Q HA 0.408 4.748 4.340 0.000 0.000 0.270 598 Q C -1.040 175.052 176.000 0.153 0.000 1.020 598 Q CA -0.278 55.611 55.803 0.144 0.000 0.785 598 Q CB 2.814 31.662 28.738 0.182 0.000 1.259 598 Q HN 0.753 nan 8.270 nan 0.000 0.452 599 M N 1.378 120.921 119.600 -0.095 0.000 2.423 599 M HA 0.635 5.115 4.480 0.000 0.000 0.335 599 M C -0.967 175.295 176.300 -0.064 0.000 1.177 599 M CA -0.572 54.404 55.300 -0.540 0.000 1.038 599 M CB 1.490 33.478 32.600 -1.019 0.000 1.641 599 M HN 0.671 nan 8.290 nan 0.000 0.455 600 A N 3.381 126.180 122.820 -0.036 0.000 2.412 600 A HA 0.644 4.964 4.320 0.000 0.000 0.334 600 A C 0.534 178.155 177.584 0.062 0.000 1.419 600 A CA -0.321 51.807 52.037 0.152 0.000 0.930 600 A CB 0.073 19.127 19.000 0.090 0.000 1.149 600 A HN 1.035 nan 8.150 nan 0.000 0.515 601 A N 1.681 124.500 122.820 -0.002 0.000 2.066 601 A HA 0.035 4.355 4.320 0.000 0.000 0.218 601 A C 1.041 178.493 177.584 -0.221 0.000 1.157 601 A CA 0.820 52.811 52.037 -0.078 0.000 0.670 601 A CB -0.176 18.759 19.000 -0.109 0.000 0.804 601 A HN 0.678 nan 8.150 nan 0.000 0.453 602 D N -0.136 120.034 120.400 -0.384 0.000 2.371 602 D HA 0.327 4.968 4.640 0.000 0.000 0.242 602 D C 0.535 176.530 176.300 -0.507 0.000 1.218 602 D CA -0.300 53.270 54.000 -0.716 0.000 0.945 602 D CB 0.511 40.619 40.800 -1.152 0.000 1.137 602 D HN 0.398 nan 8.370 nan 0.000 0.464 603 I N -1.885 118.436 120.570 -0.414 0.000 2.662 603 I HA 0.253 4.423 4.170 0.000 0.000 0.291 603 I C -1.855 173.888 176.117 -0.623 0.000 1.046 603 I CA -1.643 59.459 61.300 -0.330 0.000 1.361 603 I CB 0.832 38.744 38.000 -0.146 0.000 1.429 603 I HN 0.111 nan 8.210 nan 0.000 0.558 604 P HA -0.205 nan 4.420 nan 0.000 0.216 604 P C 1.111 177.990 177.300 -0.701 0.000 1.157 604 P CA 1.675 64.058 63.100 -1.196 0.000 0.880 604 P CB 0.129 30.979 31.700 -1.418 0.000 0.791 605 E N -1.042 118.886 120.200 -0.452 0.000 2.130 605 E HA -0.185 4.165 4.350 0.000 0.000 0.196 605 E C 1.785 178.266 176.600 -0.199 0.000 0.998 605 E CA 1.174 57.422 56.400 -0.252 0.000 0.806 605 E CB -0.742 28.855 29.700 -0.173 0.000 0.738 605 E HN 0.281 nan 8.360 nan 0.000 0.459 606 N N -0.662 117.880 118.700 -0.263 0.000 2.270 606 N HA -0.104 4.636 4.740 0.000 0.000 0.181 606 N C 1.323 176.813 175.510 -0.035 0.000 1.016 606 N CA 0.813 53.780 53.050 -0.137 0.000 0.870 606 N CB -0.155 38.218 38.487 -0.189 0.000 0.979 606 N HN 0.253 nan 8.380 nan 0.000 0.431 607 Y N 1.653 121.820 120.300 -0.221 0.000 2.314 607 Y HA 0.027 4.577 4.550 -0.000 0.000 0.293 607 Y C 2.097 177.932 175.900 -0.109 0.000 1.129 607 Y CA 0.489 58.391 58.100 -0.329 0.000 1.201 607 Y CB -0.306 37.500 38.460 -1.090 0.000 0.999 607 Y HN 0.140 nan 8.280 nan 0.000 0.541 608 E N -0.268 119.949 120.200 0.029 0.000 2.268 608 E HA -0.145 4.205 4.350 0.000 0.000 0.195 608 E C 1.995 178.612 176.600 0.029 0.000 0.995 608 E CA 0.517 56.960 56.400 0.073 0.000 0.836 608 E CB -0.066 29.663 29.700 0.049 0.000 0.763 608 E HN 0.438 nan 8.360 nan 0.000 0.491 609 R N -0.453 120.019 120.500 -0.047 0.000 2.193 609 R HA 0.017 4.357 4.340 0.000 0.000 0.213 609 R C 0.188 176.159 176.300 -0.549 0.000 1.055 609 R CA 0.614 56.517 56.100 -0.329 0.000 0.995 609 R CB 0.303 30.307 30.300 -0.494 0.000 0.893 609 R HN 0.066 nan 8.270 nan 0.000 0.459 610 F N -0.903 119.205 119.950 0.264 0.000 2.576 610 F HA 0.205 4.732 4.527 0.000 0.000 0.365 610 F C 0.869 176.899 175.800 0.384 0.000 1.506 610 F CA -0.570 57.618 58.000 0.314 0.000 1.113 610 F CB 0.748 39.887 39.000 0.232 0.000 1.293 610 F HN -0.180 nan 8.300 nan 0.000 0.540 611 M N 1.285 121.127 119.600 0.405 0.000 2.279 611 M HA -0.171 4.309 4.480 0.000 0.000 0.264 611 M C 2.000 178.551 176.300 0.418 0.000 1.062 611 M CA 1.927 57.468 55.300 0.402 0.000 1.099 611 M CB -0.353 32.411 32.600 0.275 0.000 1.394 611 M HN 0.341 nan 8.290 nan 0.000 0.426 612 D N -0.549 120.086 120.400 0.393 0.000 2.144 612 D HA -0.080 4.560 4.640 0.000 0.000 0.200 612 D C 1.760 178.326 176.300 0.443 0.000 0.978 612 D CA 1.552 55.779 54.000 0.378 0.000 0.833 612 D CB -0.924 40.090 40.800 0.355 0.000 0.961 612 D HN 0.409 nan 8.370 nan 0.000 0.470 613 A N -0.031 123.012 122.820 0.372 0.000 1.970 613 A HA 0.044 4.364 4.320 0.000 0.000 0.216 613 A C 2.061 179.852 177.584 0.344 0.000 1.170 613 A CA 0.442 52.583 52.037 0.174 0.000 0.645 613 A CB -1.255 17.400 19.000 -0.575 0.000 0.816 613 A HN 0.270 nan 8.150 nan 0.000 0.447 614 F N 0.348 120.521 119.950 0.372 0.000 2.333 614 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 614 F C 2.346 178.172 175.800 0.042 0.000 1.083 614 F CA 1.516 59.667 58.000 0.252 0.000 1.395 614 F CB 0.102 39.214 39.000 0.187 0.000 1.056 614 F HN 0.317 nan 8.300 nan 0.000 0.529 615 Q N 0.327 120.196 119.800 0.115 0.000 2.181 615 Q HA -0.285 4.055 4.340 0.000 0.000 0.205 615 Q C 1.889 177.798 176.000 -0.151 0.000 0.980 615 Q CA 2.130 57.934 55.803 0.002 0.000 0.862 615 Q CB -0.774 28.108 28.738 0.241 0.000 0.905 615 Q HN 0.592 nan 8.270 nan 0.000 0.429 616 F N -0.377 119.329 119.950 -0.407 0.000 2.146 616 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 616 F C 1.650 177.154 175.800 -0.493 0.000 1.096 616 F CA 1.234 58.917 58.000 -0.528 0.000 1.275 616 F CB -0.032 38.376 39.000 -0.988 0.000 1.008 616 F HN 0.085 nan 8.300 nan 0.000 0.480 617 I N 0.257 120.472 120.570 -0.593 0.000 2.286 617 I HA -0.303 3.867 4.170 0.000 0.000 0.248 617 I C 2.163 177.695 176.117 -0.975 0.000 1.115 617 I CA 1.407 62.149 61.300 -0.929 0.000 1.392 617 I CB -0.524 36.931 38.000 -0.909 0.000 1.065 617 I HN 0.134 nan 8.210 nan 0.000 0.418 618 K N 0.486 120.322 120.400 -0.940 0.000 2.097 618 K HA -0.151 4.169 4.320 0.000 0.000 0.205 618 K C 1.593 177.828 176.600 -0.609 0.000 1.050 618 K CA 1.361 57.162 56.287 -0.810 0.000 0.938 618 K CB -0.088 32.047 32.500 -0.609 0.000 0.718 618 K HN 0.248 nan 8.250 nan 0.000 0.442 619 D N 0.564 120.652 120.400 -0.519 0.000 2.162 619 D HA -0.060 4.580 4.640 0.000 0.000 0.203 619 D C 0.561 176.521 176.300 -0.567 0.000 0.967 619 D CA 0.301 54.077 54.000 -0.373 0.000 0.840 619 D CB -0.229 40.492 40.800 -0.130 0.000 0.972 619 D HN -0.123 nan 8.370 nan 0.000 0.482 620 V N 1.006 120.369 119.914 -0.919 0.000 2.720 620 V HA 0.189 4.309 4.120 0.000 0.000 0.307 620 V C 0.448 176.024 176.094 -0.862 0.000 1.071 620 V CA -0.232 61.361 62.300 -1.177 0.000 1.199 620 V CB 0.553 31.779 31.823 -0.996 0.000 0.900 620 V HN 0.198 nan 8.190 nan 0.000 0.494 621 A N 5.936 128.176 122.820 -0.967 0.000 2.249 621 A HA 0.643 4.964 4.320 0.000 0.000 0.281 621 A C 0.585 177.734 177.584 -0.724 0.000 1.127 621 A CA -0.249 51.302 52.037 -0.810 0.000 0.833 621 A CB 0.580 19.001 19.000 -0.966 0.000 1.140 621 A HN 0.942 nan 8.150 nan 0.000 0.502 622 L N -1.494 119.273 121.223 -0.759 0.000 2.878 622 L HA 0.312 4.652 4.340 0.000 0.000 0.253 622 L C -0.213 176.269 176.870 -0.646 0.000 1.135 622 L CA 0.152 54.688 54.840 -0.507 0.000 0.943 622 L CB 0.362 42.225 42.059 -0.327 0.000 1.307 622 L HN 0.606 nan 8.230 nan 0.000 0.545 623 D N -0.919 118.870 120.400 -1.019 0.000 2.671 623 D HA 0.446 5.086 4.640 0.000 0.000 0.232 623 D C -1.781 173.879 176.300 -1.068 0.000 1.114 623 D CA -0.198 53.361 54.000 -0.735 0.000 0.858 623 D CB 1.820 42.440 40.800 -0.300 0.000 1.544 623 D HN -0.145 nan 8.370 nan 0.000 0.471 624 W N 1.342 122.648 121.300 0.011 0.000 2.936 624 W HA 0.375 5.035 4.660 -0.000 0.000 0.338 624 W C 0.571 177.015 176.519 -0.124 0.000 1.121 624 W CA -0.618 56.677 57.345 -0.083 0.000 1.209 624 W CB 1.295 30.692 29.460 -0.105 0.000 1.420 624 W HN 0.167 nan 8.180 nan 0.000 0.516 625 D N 0.555 120.988 120.400 0.055 0.000 2.301 625 D HA 0.045 4.685 4.640 0.000 0.000 0.206 625 D C -0.180 176.079 176.300 -0.069 0.000 0.979 625 D CA 1.087 55.063 54.000 -0.040 0.000 0.874 625 D CB 0.642 41.394 40.800 -0.079 0.000 0.968 625 D HN 0.477 nan 8.370 nan 0.000 0.510 626 E N -1.050 119.086 120.200 -0.108 0.000 2.390 626 E HA 0.450 4.800 4.350 0.000 0.000 0.277 626 E C -1.148 175.322 176.600 -0.217 0.000 0.939 626 E CA -0.549 55.761 56.400 -0.150 0.000 0.769 626 E CB 2.551 32.163 29.700 -0.146 0.000 1.251 626 E HN -0.266 nan 8.360 nan 0.000 0.450 627 T N 1.684 116.094 114.554 -0.240 0.000 2.991 627 T HA 0.374 4.724 4.350 0.000 0.000 0.303 627 T C -1.118 173.293 174.700 -0.483 0.000 1.015 627 T CA -0.739 61.100 62.100 -0.434 0.000 1.007 627 T CB 0.768 69.279 68.868 -0.595 0.000 1.034 627 T HN 0.358 nan 8.240 nan 0.000 0.446 628 N N 2.070 120.471 118.700 -0.498 0.000 2.443 628 N HA 0.337 5.077 4.740 0.000 0.000 0.269 628 N C -1.414 173.770 175.510 -0.545 0.000 0.985 628 N CA -0.629 52.155 53.050 -0.443 0.000 0.921 628 N CB 1.462 39.720 38.487 -0.381 0.000 1.195 628 N HN 0.482 nan 8.380 nan 0.000 0.492 629 Y N 2.767 122.969 120.300 -0.163 0.000 2.556 629 Y HA 0.146 4.696 4.550 0.000 0.000 0.352 629 Y C 1.355 177.184 175.900 -0.118 0.000 1.006 629 Y CA -0.409 57.595 58.100 -0.161 0.000 1.277 629 Y CB 0.342 38.697 38.460 -0.174 0.000 1.136 629 Y HN 0.474 nan 8.280 nan 0.000 0.523 630 L N 1.478 122.684 121.223 -0.028 0.000 2.068 630 L HA 0.021 4.361 4.340 0.000 0.000 0.204 630 L C 0.305 177.206 176.870 0.053 0.000 1.076 630 L CA 1.235 56.070 54.840 -0.009 0.000 0.753 630 L CB -0.012 42.027 42.059 -0.034 0.000 0.910 630 L HN 0.500 nan 8.230 nan 0.000 0.439 631 E N -0.989 119.261 120.200 0.083 0.000 2.331 631 E HA 0.708 5.058 4.350 0.000 0.000 0.275 631 E C -1.232 175.458 176.600 0.149 0.000 0.895 631 E CA -0.571 55.927 56.400 0.163 0.000 0.753 631 E CB 2.630 32.453 29.700 0.204 0.000 1.216 631 E HN 0.103 nan 8.360 nan 0.000 0.434 632 A N 2.378 125.267 122.820 0.116 0.000 2.512 632 A HA 0.559 4.879 4.320 0.000 0.000 0.294 632 A C -1.576 175.839 177.584 -0.281 0.000 1.054 632 A CA -0.583 51.424 52.037 -0.050 0.000 0.756 632 A CB 1.689 20.679 19.000 -0.018 0.000 1.293 632 A HN 0.520 nan 8.150 nan 0.000 0.395 633 E N 3.204 123.037 120.200 -0.612 0.000 2.334 633 E HA 0.485 4.835 4.350 0.000 0.000 0.280 633 E C -2.995 173.165 176.600 -0.734 0.000 0.899 633 E CA -1.695 54.253 56.400 -0.752 0.000 0.813 633 E CB 2.436 31.539 29.700 -0.996 0.000 1.318 633 E HN 0.373 nan 8.360 nan 0.000 0.399 634 P HA 0.107 nan 4.420 nan 0.000 0.262 634 P C 0.766 177.636 177.300 -0.717 0.000 1.182 634 P CA 1.446 63.796 63.100 -1.250 0.000 0.761 634 P CB 0.872 31.260 31.700 -2.186 0.000 0.795 635 G N 2.936 111.446 108.800 -0.483 0.000 2.205 635 G HA2 -0.229 3.731 3.960 0.000 0.000 0.261 635 G HA3 -0.229 3.731 3.960 0.000 0.000 0.261 635 G C 0.763 175.598 174.900 -0.108 0.000 0.980 635 G CA 0.201 45.142 45.100 -0.266 0.000 0.632 635 G HN 0.545 nan 8.290 nan 0.000 0.533 636 E N -1.635 118.455 120.200 -0.182 0.000 2.520 636 E HA 0.308 4.658 4.350 0.000 0.000 0.201 636 E C 0.512 177.106 176.600 -0.010 0.000 0.894 636 E CA 1.351 57.712 56.400 -0.065 0.000 1.161 636 E CB 0.681 30.328 29.700 -0.090 0.000 1.137 636 E HN 0.948 nan 8.360 nan 0.000 0.510 637 Y N -1.294 118.917 120.300 -0.148 0.000 2.620 637 Y HA 0.644 5.194 4.550 0.000 0.000 0.331 637 Y C -1.256 174.525 175.900 -0.198 0.000 1.173 637 Y CA -1.183 56.775 58.100 -0.236 0.000 1.076 637 Y CB 0.881 39.001 38.460 -0.566 0.000 1.336 637 Y HN -0.190 nan 8.280 nan 0.000 0.459 638 I N 2.431 122.996 120.570 -0.009 0.000 2.571 638 I HA 0.482 4.652 4.170 0.000 0.000 0.289 638 I C -1.243 174.844 176.117 -0.050 0.000 1.115 638 I CA -0.677 60.596 61.300 -0.046 0.000 1.045 638 I CB 2.720 40.643 38.000 -0.129 0.000 1.238 638 I HN 0.800 nan 8.210 nan 0.000 0.424 639 T N 6.877 121.424 114.554 -0.012 0.000 2.840 639 T HA 0.677 5.027 4.350 0.000 0.000 0.287 639 T C -0.421 174.254 174.700 -0.042 0.000 0.991 639 T CA -0.349 61.732 62.100 -0.033 0.000 0.964 639 T CB 1.295 70.186 68.868 0.040 0.000 0.954 639 T HN 0.263 nan 8.240 nan 0.000 0.438 640 I N 1.977 122.496 120.570 -0.086 0.000 2.647 640 I HA 0.765 4.935 4.170 0.000 0.000 0.295 640 I C -0.377 175.635 176.117 -0.175 0.000 1.078 640 I CA -1.319 59.877 61.300 -0.173 0.000 1.048 640 I CB 2.117 39.985 38.000 -0.220 0.000 1.239 640 I HN 0.669 nan 8.210 nan 0.000 0.421 641 A N 5.888 128.541 122.820 -0.278 0.000 2.343 641 A HA 0.874 5.194 4.320 0.000 0.000 0.316 641 A C -0.697 176.773 177.584 -0.190 0.000 1.104 641 A CA -0.619 51.298 52.037 -0.201 0.000 0.768 641 A CB 1.093 19.764 19.000 -0.548 0.000 1.213 641 A HN 0.790 nan 8.150 nan 0.000 0.456 642 R N 1.217 121.637 120.500 -0.134 0.000 2.744 642 R HA 0.502 4.842 4.340 0.000 0.000 0.279 642 R C -0.869 175.299 176.300 -0.220 0.000 0.977 642 R CA -0.830 55.031 56.100 -0.399 0.000 0.906 642 R CB 2.654 32.175 30.300 -1.298 0.000 1.197 642 R HN 0.684 nan 8.270 nan 0.000 0.463 643 K N 1.755 121.822 120.400 -0.554 0.000 2.263 643 K HA 0.395 4.715 4.320 0.000 0.000 0.272 643 K C -0.498 176.120 176.600 0.030 0.000 1.033 643 K CA -0.339 55.467 56.287 -0.802 0.000 0.884 643 K CB 1.391 32.977 32.500 -1.524 0.000 1.107 643 K HN 0.762 nan 8.250 nan 0.000 0.460 644 A N 4.453 127.403 122.820 0.217 0.000 2.546 644 A HA -0.014 4.306 4.320 0.000 0.000 0.243 644 A C -0.002 177.527 177.584 -0.092 0.000 1.063 644 A CA 0.143 52.207 52.037 0.046 0.000 0.757 644 A CB 0.025 19.068 19.000 0.070 0.000 0.991 644 A HN 0.864 nan 8.150 nan 0.000 0.503 645 K N 2.109 122.400 120.400 -0.183 0.000 2.484 645 K HA 0.038 4.358 4.320 0.000 0.000 0.280 645 K C -0.466 176.069 176.600 -0.110 0.000 1.013 645 K CA 0.653 56.859 56.287 -0.134 0.000 1.029 645 K CB 0.056 32.463 32.500 -0.155 0.000 0.902 645 K HN 0.757 nan 8.250 nan 0.000 0.481 646 D N 1.151 121.505 120.400 -0.076 0.000 3.012 646 D HA -0.166 4.474 4.640 0.000 0.000 0.222 646 D C -0.299 175.975 176.300 -0.044 0.000 1.167 646 D CA 1.812 55.778 54.000 -0.056 0.000 0.854 646 D CB -1.333 39.431 40.800 -0.060 0.000 1.107 646 D HN 0.811 nan 8.370 nan 0.000 0.421 647 T N -4.080 110.451 114.554 -0.040 0.000 2.778 647 T HA 0.610 4.960 4.350 0.000 0.000 0.293 647 T C -0.252 174.453 174.700 0.008 0.000 1.144 647 T CA -0.735 61.359 62.100 -0.009 0.000 1.010 647 T CB 1.882 70.754 68.868 0.008 0.000 1.325 647 T HN -0.228 nan 8.240 nan 0.000 0.515 648 D N 0.223 120.660 120.400 0.062 0.000 2.501 648 D HA 0.269 4.909 4.640 0.000 0.000 0.226 648 D C -0.768 175.688 176.300 0.261 0.000 1.198 648 D CA -0.358 53.731 54.000 0.148 0.000 0.830 648 D CB 0.277 41.168 40.800 0.153 0.000 1.014 648 D HN 0.417 nan 8.370 nan 0.000 0.496 649 D N 0.114 120.601 120.400 0.145 0.000 2.181 649 D HA 0.303 4.943 4.640 0.000 0.000 0.248 649 D C -0.394 175.949 176.300 0.071 0.000 1.020 649 D CA -0.317 53.789 54.000 0.176 0.000 0.891 649 D CB 1.143 42.017 40.800 0.123 0.000 1.187 649 D HN 0.029 nan 8.370 nan 0.000 0.443 650 W N 0.743 122.022 121.300 -0.035 0.000 2.781 650 W HA 0.447 5.107 4.660 -0.000 0.000 0.345 650 W C -0.730 175.644 176.519 -0.242 0.000 1.085 650 W CA -0.707 56.655 57.345 0.029 0.000 1.198 650 W CB 1.076 30.616 29.460 0.133 0.000 1.423 650 W HN 0.199 nan 8.180 nan 0.000 0.532 651 Y N 1.110 121.673 120.300 0.438 0.000 2.406 651 Y HA 0.640 5.190 4.550 -0.000 0.000 0.340 651 Y C -0.286 175.787 175.900 0.289 0.000 0.975 651 Y CA -1.222 57.110 58.100 0.388 0.000 1.056 651 Y CB 1.708 40.396 38.460 0.380 0.000 1.210 651 Y HN -0.012 nan 8.280 nan 0.000 0.448 652 V N 2.045 122.230 119.914 0.453 0.000 2.680 652 V HA 0.951 5.071 4.120 0.000 0.000 0.309 652 V C -0.100 176.149 176.094 0.258 0.000 1.052 652 V CA -0.755 61.733 62.300 0.314 0.000 0.908 652 V CB 1.988 34.045 31.823 0.389 0.000 1.001 652 V HN 0.913 nan 8.190 nan 0.000 0.431 653 G N 1.001 109.866 108.800 0.108 0.000 2.719 653 G HA2 0.582 4.542 3.960 0.000 0.000 0.298 653 G HA3 0.582 4.542 3.960 0.000 0.000 0.298 653 G C -1.602 173.173 174.900 -0.208 0.000 1.411 653 G CA -0.489 44.593 45.100 -0.030 0.000 0.991 653 G HN 0.932 nan 8.290 nan 0.000 0.509 654 C N 1.144 120.152 119.300 -0.486 0.000 2.535 654 C HA 0.897 5.357 4.460 0.000 0.000 0.319 654 C C -0.047 174.722 174.990 -0.368 0.000 1.171 654 C CA -0.283 58.401 59.018 -0.557 0.000 1.394 654 C CB 0.850 27.875 27.740 -1.191 0.000 1.990 654 C HN 0.922 nan 8.230 nan 0.000 0.466 655 T N 3.780 118.215 114.554 -0.199 0.000 2.861 655 T HA 0.809 5.159 4.350 0.000 0.000 0.287 655 T C -0.434 174.238 174.700 -0.046 0.000 1.003 655 T CA 0.148 62.181 62.100 -0.112 0.000 0.977 655 T CB 1.210 70.018 68.868 -0.100 0.000 0.996 655 T HN 1.469 nan 8.240 nan 0.000 0.448 656 A N 3.038 125.861 122.820 0.004 0.000 2.479 656 A HA 0.948 5.268 4.320 0.000 0.000 0.296 656 A C 0.557 178.199 177.584 0.097 0.000 1.121 656 A CA -0.398 51.684 52.037 0.075 0.000 0.743 656 A CB 1.358 20.427 19.000 0.114 0.000 1.323 656 A HN 1.077 nan 8.150 nan 0.000 0.415 657 G N -0.764 108.121 108.800 0.142 0.000 2.582 657 G HA2 0.404 4.364 3.960 0.000 0.000 0.232 657 G HA3 0.404 4.364 3.960 0.000 0.000 0.232 657 G C 0.623 175.631 174.900 0.180 0.000 1.458 657 G CA 0.410 45.611 45.100 0.169 0.000 1.062 657 G HN 0.925 nan 8.290 nan 0.000 0.566 658 E N -0.475 119.844 120.200 0.199 0.000 2.338 658 E HA -0.089 4.261 4.350 0.000 0.000 0.197 658 E C 1.065 177.793 176.600 0.213 0.000 1.007 658 E CA 0.947 57.481 56.400 0.222 0.000 0.849 658 E CB -0.077 29.751 29.700 0.213 0.000 0.774 658 E HN 0.310 nan 8.360 nan 0.000 0.506 659 N N 1.024 119.847 118.700 0.204 0.000 2.336 659 N HA 0.090 4.830 4.740 0.000 0.000 0.189 659 N C 0.793 176.431 175.510 0.213 0.000 1.113 659 N CA 0.825 53.995 53.050 0.199 0.000 0.858 659 N CB 0.897 39.502 38.487 0.197 0.000 0.970 659 N HN 0.336 nan 8.380 nan 0.000 0.471 660 G N 0.947 109.863 108.800 0.194 0.000 2.697 660 G HA2 -0.283 3.677 3.960 0.000 0.000 0.240 660 G HA3 -0.283 3.677 3.960 0.000 0.000 0.240 660 G C -0.753 174.264 174.900 0.196 0.000 1.346 660 G CA 0.127 45.305 45.100 0.129 0.000 0.887 660 G HN 0.631 nan 8.290 nan 0.000 0.569 661 H N -1.614 117.419 119.070 -0.062 0.000 3.140 661 H HA 0.577 5.133 4.556 0.000 0.000 0.336 661 H C -0.656 174.678 175.328 0.010 0.000 1.142 661 H CA 0.331 56.360 56.048 -0.031 0.000 1.308 661 H CB 1.173 30.884 29.762 -0.085 0.000 1.970 661 H HN 0.725 nan 8.280 nan 0.000 0.521 662 T N 3.950 118.158 114.554 -0.577 0.000 2.758 662 T HA 0.488 4.838 4.350 0.000 0.000 0.285 662 T C -0.539 173.802 174.700 -0.598 0.000 0.981 662 T CA -0.572 61.342 62.100 -0.310 0.000 0.965 662 T CB 0.825 69.629 68.868 -0.106 0.000 0.927 662 T HN 0.508 nan 8.240 nan 0.000 0.448 663 S N 2.990 118.550 115.700 -0.232 0.000 2.509 663 S HA 0.456 4.926 4.470 0.000 0.000 0.297 663 S C -0.120 174.432 174.600 -0.080 0.000 1.118 663 S CA -1.042 57.101 58.200 -0.095 0.000 1.074 663 S CB 1.151 64.456 63.200 0.175 0.000 1.038 663 S HN 0.490 nan 8.310 nan 0.000 0.498 664 K N 2.447 122.802 120.400 -0.075 0.000 2.499 664 K HA 0.378 4.698 4.320 0.000 0.000 0.215 664 K C -0.889 175.643 176.600 -0.113 0.000 1.041 664 K CA -0.044 56.193 56.287 -0.084 0.000 1.031 664 K CB 0.298 32.757 32.500 -0.069 0.000 1.479 664 K HN 0.462 nan 8.250 nan 0.000 0.518 665 L N 1.816 122.937 121.223 -0.170 0.000 2.416 665 L HA 0.250 4.590 4.340 0.000 0.000 0.272 665 L C -0.156 176.429 176.870 -0.475 0.000 1.161 665 L CA -0.638 53.990 54.840 -0.354 0.000 0.845 665 L CB 0.656 42.408 42.059 -0.511 0.000 1.119 665 L HN 0.144 nan 8.230 nan 0.000 0.464 666 V N 4.100 123.717 119.914 -0.495 0.000 2.376 666 V HA 0.196 4.316 4.120 0.000 0.000 0.287 666 V C -0.132 175.631 176.094 -0.551 0.000 1.015 666 V CA -0.316 61.750 62.300 -0.390 0.000 0.834 666 V CB 1.231 32.943 31.823 -0.184 0.000 1.001 666 V HN 0.477 nan 8.190 nan 0.000 0.428 667 F N 2.863 122.591 119.950 -0.370 0.000 2.843 667 F HA 0.133 4.660 4.527 0.000 0.000 0.290 667 F C 1.622 176.902 175.800 -0.867 0.000 1.221 667 F CA -0.571 56.902 58.000 -0.879 0.000 1.413 667 F CB -0.323 38.221 39.000 -0.760 0.000 1.019 667 F HN 0.667 nan 8.300 nan 0.000 0.512 668 D N -0.670 119.482 120.400 -0.414 0.000 2.378 668 D HA -0.202 4.438 4.640 0.000 0.000 0.227 668 D C 1.358 177.518 176.300 -0.234 0.000 1.012 668 D CA 0.289 54.139 54.000 -0.250 0.000 0.905 668 D CB -1.002 39.731 40.800 -0.112 0.000 0.895 668 D HN 0.438 nan 8.370 nan 0.000 0.532 669 F N -0.704 119.086 119.950 -0.267 0.000 2.776 669 F HA 0.338 4.865 4.527 0.000 0.000 0.300 669 F C 0.636 176.148 175.800 -0.481 0.000 1.116 669 F CA -0.941 56.836 58.000 -0.371 0.000 1.375 669 F CB -0.553 38.114 39.000 -0.555 0.000 1.109 669 F HN -0.218 nan 8.300 nan 0.000 0.585 670 L N 1.044 121.851 121.223 -0.693 0.000 2.466 670 L HA 0.263 4.603 4.340 0.000 0.000 0.257 670 L C 0.651 177.496 176.870 -0.040 0.000 1.189 670 L CA -0.641 53.906 54.840 -0.488 0.000 0.813 670 L CB 0.603 42.222 42.059 -0.733 0.000 1.118 670 L HN -0.031 nan 8.230 nan 0.000 0.471 671 T N 1.989 116.680 114.554 0.227 0.000 2.870 671 T HA 0.164 4.514 4.350 0.000 0.000 0.300 671 T C -2.276 172.512 174.700 0.146 0.000 0.989 671 T CA -0.776 61.454 62.100 0.216 0.000 1.139 671 T CB 0.623 69.649 68.868 0.264 0.000 0.920 671 T HN 0.310 nan 8.240 nan 0.000 0.537 672 P HA 0.239 nan 4.420 nan 0.000 0.268 672 P C 1.041 178.364 177.300 0.038 0.000 1.204 672 P CA 0.598 63.725 63.100 0.046 0.000 0.768 672 P CB 0.378 32.097 31.700 0.031 0.000 0.842 673 G N 1.549 110.363 108.800 0.023 0.000 2.184 673 G HA2 -0.264 3.696 3.960 0.000 0.000 0.264 673 G HA3 -0.264 3.696 3.960 0.000 0.000 0.264 673 G C 0.100 174.988 174.900 -0.020 0.000 0.975 673 G CA -0.013 45.088 45.100 0.002 0.000 0.642 673 G HN 0.529 nan 8.290 nan 0.000 0.536 674 K N 0.143 120.534 120.400 -0.016 0.000 2.118 674 K HA 0.555 4.875 4.320 0.000 0.000 0.254 674 K C -0.113 176.379 176.600 -0.182 0.000 0.961 674 K CA -0.729 55.473 56.287 -0.141 0.000 0.876 674 K CB 0.963 33.319 32.500 -0.240 0.000 1.077 674 K HN 0.073 nan 8.250 nan 0.000 0.440 675 Q N 1.811 121.434 119.800 -0.296 0.000 2.282 675 Q HA 0.350 4.691 4.340 0.000 0.000 0.260 675 Q C -1.158 174.616 176.000 -0.376 0.000 0.964 675 Q CA -0.376 55.308 55.803 -0.199 0.000 0.880 675 Q CB 1.398 30.063 28.738 -0.122 0.000 1.286 675 Q HN 0.486 nan 8.270 nan 0.000 0.445 676 Y N 0.762 121.018 120.300 -0.073 0.000 2.462 676 Y HA 0.393 4.943 4.550 0.000 0.000 0.346 676 Y C 0.081 175.931 175.900 -0.084 0.000 0.976 676 Y CA -1.024 57.033 58.100 -0.073 0.000 1.044 676 Y CB 1.672 40.070 38.460 -0.104 0.000 1.230 676 Y HN 0.389 nan 8.280 nan 0.000 0.455 677 I N 3.220 123.845 120.570 0.091 0.000 2.301 677 I HA 0.405 4.575 4.170 0.000 0.000 0.292 677 I C 0.118 176.252 176.117 0.029 0.000 1.046 677 I CA -0.436 60.884 61.300 0.034 0.000 1.282 677 I CB 0.176 38.191 38.000 0.025 0.000 1.409 677 I HN 0.664 nan 8.210 nan 0.000 0.484 678 A N 5.422 128.229 122.820 -0.021 0.000 2.317 678 A HA 0.776 5.096 4.320 0.000 0.000 0.327 678 A C -0.006 177.559 177.584 -0.032 0.000 1.178 678 A CA -0.390 51.617 52.037 -0.050 0.000 0.817 678 A CB 0.734 19.635 19.000 -0.165 0.000 1.189 678 A HN 0.639 nan 8.150 nan 0.000 0.489 679 T N 2.179 116.745 114.554 0.019 0.000 2.815 679 T HA 0.463 4.813 4.350 0.000 0.000 0.289 679 T C -0.569 174.093 174.700 -0.063 0.000 1.000 679 T CA -0.296 61.774 62.100 -0.050 0.000 0.958 679 T CB 1.031 69.902 68.868 0.004 0.000 0.944 679 T HN 0.403 nan 8.240 nan 0.000 0.442 680 V N 4.652 124.471 119.914 -0.159 0.000 2.350 680 V HA 0.345 4.465 4.120 0.000 0.000 0.276 680 V C -0.949 175.041 176.094 -0.173 0.000 1.028 680 V CA -0.808 61.446 62.300 -0.077 0.000 0.860 680 V CB 0.147 31.934 31.823 -0.060 0.000 0.990 680 V HN 0.820 nan 8.190 nan 0.000 0.453 681 Y N 3.763 124.085 120.300 0.037 0.000 2.417 681 Y HA 0.720 5.270 4.550 -0.000 0.000 0.336 681 Y C 0.489 176.429 175.900 0.066 0.000 0.961 681 Y CA -0.282 57.841 58.100 0.037 0.000 1.215 681 Y CB 1.392 39.815 38.460 -0.062 0.000 1.120 681 Y HN 0.729 nan 8.280 nan 0.000 0.499 682 A N 1.933 124.877 122.820 0.208 0.000 2.485 682 A HA 0.566 4.886 4.320 0.000 0.000 0.292 682 A C -1.052 176.651 177.584 0.199 0.000 1.147 682 A CA -1.033 51.125 52.037 0.201 0.000 0.750 682 A CB 1.008 20.081 19.000 0.121 0.000 1.331 682 A HN 0.549 nan 8.150 nan 0.000 0.419 683 D N 1.284 121.792 120.400 0.180 0.000 2.424 683 D HA 0.428 5.068 4.640 0.000 0.000 0.244 683 D C 0.669 177.051 176.300 0.136 0.000 1.134 683 D CA 0.775 54.870 54.000 0.158 0.000 0.881 683 D CB 1.394 42.275 40.800 0.135 0.000 1.191 683 D HN 0.716 nan 8.370 nan 0.000 0.445 684 A N 2.393 125.280 122.820 0.112 0.000 2.296 684 A HA 0.194 4.514 4.320 0.000 0.000 0.264 684 A C 0.552 178.184 177.584 0.079 0.000 1.097 684 A CA -0.375 51.704 52.037 0.070 0.000 0.811 684 A CB 0.369 19.384 19.000 0.024 0.000 1.072 684 A HN 0.417 nan 8.150 nan 0.000 0.495 685 K N 0.217 120.652 120.400 0.058 0.000 2.448 685 K HA 0.168 4.488 4.320 0.000 0.000 0.278 685 K C -0.434 176.199 176.600 0.055 0.000 1.009 685 K CA 1.126 57.449 56.287 0.060 0.000 0.995 685 K CB -0.065 32.453 32.500 0.029 0.000 0.917 685 K HN 0.641 nan 8.250 nan 0.000 0.481 686 D N 0.541 120.982 120.400 0.068 0.000 3.076 686 D HA -0.198 4.442 4.640 0.000 0.000 0.218 686 D C -0.687 175.646 176.300 0.055 0.000 1.156 686 D CA 1.405 55.438 54.000 0.054 0.000 0.921 686 D CB -1.523 39.294 40.800 0.028 0.000 1.113 686 D HN 0.698 nan 8.370 nan 0.000 0.418 687 A N 0.185 123.051 122.820 0.078 0.000 2.406 687 A HA 0.482 4.802 4.320 0.000 0.000 0.243 687 A C 0.223 177.850 177.584 0.071 0.000 1.082 687 A CA 0.516 52.597 52.037 0.074 0.000 0.786 687 A CB 0.700 19.758 19.000 0.098 0.000 1.029 687 A HN 0.197 nan 8.150 nan 0.000 0.495 688 D N -0.399 120.030 120.400 0.048 0.000 2.836 688 D HA 0.238 4.878 4.640 0.000 0.000 0.215 688 D C 0.843 177.146 176.300 0.005 0.000 1.255 688 D CA -0.468 53.536 54.000 0.008 0.000 0.822 688 D CB 0.398 41.145 40.800 -0.088 0.000 1.656 688 D HN 0.608 nan 8.370 nan 0.000 0.511 689 W N 4.290 125.616 121.300 0.043 0.000 2.350 689 W HA -0.081 4.579 4.660 -0.000 0.000 0.289 689 W C 1.034 177.564 176.519 0.018 0.000 1.215 689 W CA 0.879 58.241 57.345 0.027 0.000 1.236 689 W CB -0.210 29.266 29.460 0.027 0.000 1.130 689 W HN 0.398 nan 8.180 nan 0.000 0.541 690 K N 0.387 120.148 120.400 -1.064 0.000 2.121 690 K HA -0.086 4.234 4.320 0.000 0.000 0.203 690 K C 2.103 178.473 176.600 -0.384 0.000 1.041 690 K CA 1.258 56.913 56.287 -1.054 0.000 0.969 690 K CB -0.005 31.474 32.500 -1.702 0.000 0.799 690 K HN -0.221 nan 8.250 nan 0.000 0.456 691 E N 0.221 120.234 120.200 -0.312 0.000 2.318 691 E HA -0.040 4.310 4.350 0.000 0.000 0.193 691 E C 0.030 176.606 176.600 -0.039 0.000 0.998 691 E CA 0.593 56.915 56.400 -0.130 0.000 0.859 691 E CB 0.271 29.898 29.700 -0.121 0.000 0.812 691 E HN 0.172 nan 8.360 nan 0.000 0.492 692 N N -0.028 118.653 118.700 -0.031 0.000 2.732 692 N HA 0.074 4.814 4.740 0.000 0.000 0.230 692 N C -2.312 173.225 175.510 0.044 0.000 1.487 692 N CA -0.881 52.182 53.050 0.022 0.000 0.765 692 N CB 0.941 39.437 38.487 0.015 0.000 1.384 692 N HN -0.202 nan 8.380 nan 0.000 0.530 693 P HA -0.078 nan 4.420 nan 0.000 0.225 693 P C 0.254 177.586 177.300 0.052 0.000 1.156 693 P CA 1.017 64.164 63.100 0.077 0.000 0.787 693 P CB 0.481 32.230 31.700 0.083 0.000 0.802 694 Q N -0.375 119.453 119.800 0.046 0.000 2.246 694 Q HA 0.327 4.667 4.340 0.000 0.000 0.202 694 Q C 0.467 176.516 176.000 0.081 0.000 0.883 694 Q CA -0.359 55.449 55.803 0.008 0.000 0.952 694 Q CB 0.336 29.064 28.738 -0.017 0.000 1.078 694 Q HN 0.125 nan 8.270 nan 0.000 0.493 695 A N 1.482 124.342 122.820 0.067 0.000 2.279 695 A HA 0.465 4.785 4.320 0.000 0.000 0.306 695 A C -0.800 176.829 177.584 0.074 0.000 1.300 695 A CA -0.377 51.662 52.037 0.005 0.000 0.925 695 A CB -0.398 18.611 19.000 0.016 0.000 1.152 695 A HN 0.327 nan 8.150 nan 0.000 0.544 696 Y N 0.019 120.329 120.300 0.017 0.000 2.615 696 Y HA 0.834 5.384 4.550 -0.000 0.000 0.341 696 Y C -0.120 175.807 175.900 0.045 0.000 1.089 696 Y CA -0.762 57.356 58.100 0.029 0.000 1.049 696 Y CB 1.075 39.541 38.460 0.009 0.000 1.296 696 Y HN 0.534 nan 8.280 nan 0.000 0.470 697 T N 0.072 114.757 114.554 0.219 0.000 2.907 697 T HA 0.819 5.169 4.350 0.000 0.000 0.292 697 T C -1.066 173.731 174.700 0.162 0.000 1.043 697 T CA -0.731 61.440 62.100 0.118 0.000 1.003 697 T CB 1.720 70.617 68.868 0.047 0.000 1.084 697 T HN 0.746 nan 8.240 nan 0.000 0.483 698 I N 2.060 122.674 120.570 0.073 0.000 2.468 698 I HA 0.447 4.617 4.170 0.000 0.000 0.285 698 I C -0.727 175.337 176.117 -0.089 0.000 1.039 698 I CA -1.025 60.233 61.300 -0.069 0.000 1.074 698 I CB 1.879 39.846 38.000 -0.055 0.000 1.228 698 I HN 0.389 nan 8.210 nan 0.000 0.436 699 K N 5.779 126.100 120.400 -0.131 0.000 2.324 699 K HA 0.526 4.846 4.320 0.000 0.000 0.253 699 K C -0.961 175.574 176.600 -0.108 0.000 0.932 699 K CA -0.794 55.439 56.287 -0.090 0.000 0.799 699 K CB 2.944 35.406 32.500 -0.064 0.000 1.154 699 K HN 0.478 nan 8.250 nan 0.000 0.425 700 K N 0.894 121.249 120.400 -0.074 0.000 2.292 700 K HA 0.702 5.022 4.320 0.000 0.000 0.257 700 K C -0.507 176.064 176.600 -0.048 0.000 0.940 700 K CA -0.543 55.707 56.287 -0.062 0.000 0.811 700 K CB 1.548 34.023 32.500 -0.041 0.000 1.120 700 K HN 0.800 nan 8.250 nan 0.000 0.428 701 G N 2.766 111.534 108.800 -0.052 0.000 2.634 701 G HA2 0.390 4.350 3.960 0.000 0.000 0.309 701 G HA3 0.390 4.350 3.960 0.000 0.000 0.309 701 G C -1.586 173.282 174.900 -0.053 0.000 1.299 701 G CA -0.677 44.393 45.100 -0.050 0.000 0.798 701 G HN 0.396 nan 8.290 nan 0.000 0.490 702 I N 0.841 121.379 120.570 -0.054 0.000 2.460 702 I HA 0.579 4.749 4.170 0.000 0.000 0.298 702 I C -0.300 175.767 176.117 -0.082 0.000 0.989 702 I CA -0.466 60.805 61.300 -0.049 0.000 1.173 702 I CB 1.098 39.077 38.000 -0.035 0.000 1.338 702 I HN 0.266 nan 8.210 nan 0.000 0.456 703 L N 4.614 125.789 121.223 -0.079 0.000 2.388 703 L HA 0.640 4.980 4.340 0.000 0.000 0.264 703 L C 0.007 176.860 176.870 -0.030 0.000 0.998 703 L CA -0.441 54.298 54.840 -0.168 0.000 0.817 703 L CB 2.575 44.370 42.059 -0.440 0.000 1.338 703 L HN 0.736 nan 8.230 nan 0.000 0.414 704 T N -3.103 111.409 114.554 -0.071 0.000 2.838 704 T HA 0.212 4.562 4.350 0.000 0.000 0.292 704 T C 0.452 175.100 174.700 -0.086 0.000 1.113 704 T CA -0.753 61.356 62.100 0.016 0.000 1.008 704 T CB 1.350 70.225 68.868 0.011 0.000 1.259 704 T HN 0.618 nan 8.240 nan 0.000 0.520 705 N N 0.136 118.798 118.700 -0.063 0.000 2.571 705 N HA -0.044 4.696 4.740 0.000 0.000 0.189 705 N C 0.665 176.122 175.510 -0.089 0.000 1.154 705 N CA 0.191 53.161 53.050 -0.134 0.000 0.907 705 N CB -0.184 38.243 38.487 -0.100 0.000 0.977 705 N HN 0.438 nan 8.380 nan 0.000 0.449 706 K N -0.059 120.311 120.400 -0.051 0.000 2.355 706 K HA 0.220 4.540 4.320 0.000 0.000 0.198 706 K C 0.054 176.645 176.600 -0.015 0.000 1.039 706 K CA -0.072 56.195 56.287 -0.033 0.000 1.075 706 K CB 0.556 33.042 32.500 -0.024 0.000 0.870 706 K HN 0.060 nan 8.250 nan 0.000 0.540 707 S N 1.670 117.371 115.700 0.001 0.000 2.576 707 S HA 0.240 4.710 4.470 0.000 0.000 0.276 707 S C -0.020 174.676 174.600 0.160 0.000 1.339 707 S CA 0.008 58.242 58.200 0.057 0.000 1.039 707 S CB 0.967 64.163 63.200 -0.006 0.000 0.902 707 S HN 0.050 nan 8.310 nan 0.000 0.516 708 K N 1.589 122.059 120.400 0.118 0.000 2.468 708 K HA 0.554 4.874 4.320 0.000 0.000 0.252 708 K C -1.668 174.985 176.600 0.087 0.000 0.932 708 K CA -0.749 55.574 56.287 0.060 0.000 0.794 708 K CB 1.681 34.175 32.500 -0.011 0.000 1.241 708 K HN 0.233 nan 8.250 nan 0.000 0.428 709 L N 2.486 123.749 121.223 0.067 0.000 2.422 709 L HA 0.473 4.813 4.340 0.000 0.000 0.264 709 L C -1.554 175.294 176.870 -0.037 0.000 0.984 709 L CA -0.510 54.363 54.840 0.056 0.000 0.819 709 L CB 2.173 44.342 42.059 0.183 0.000 1.330 709 L HN 0.694 nan 8.230 nan 0.000 0.410 710 N N 5.579 124.251 118.700 -0.047 0.000 2.444 710 N HA 0.566 5.306 4.740 0.000 0.000 0.262 710 N C -0.980 174.482 175.510 -0.081 0.000 0.974 710 N CA -0.269 52.742 53.050 -0.064 0.000 0.933 710 N CB 2.199 40.658 38.487 -0.047 0.000 1.137 710 N HN 0.490 nan 8.380 nan 0.000 0.498 711 L N 1.433 122.586 121.223 -0.117 0.000 2.370 711 L HA 0.384 4.724 4.340 0.000 0.000 0.266 711 L C -0.615 176.276 176.870 0.034 0.000 1.002 711 L CA -0.884 53.870 54.840 -0.143 0.000 0.818 711 L CB 2.103 43.824 42.059 -0.564 0.000 1.325 711 L HN 0.509 nan 8.230 nan 0.000 0.418 712 H N 1.837 120.914 119.070 0.012 0.000 2.539 712 H HA 0.678 5.234 4.556 -0.000 0.000 0.332 712 H C -0.760 174.670 175.328 0.170 0.000 1.031 712 H CA -0.420 55.667 56.048 0.067 0.000 1.206 712 H CB 1.698 31.475 29.762 0.025 0.000 1.446 712 H HN 0.669 nan 8.280 nan 0.000 0.496 713 A N 4.333 126.944 122.820 -0.349 0.000 2.289 713 A HA 0.695 5.015 4.320 0.000 0.000 0.298 713 A C 0.266 177.558 177.584 -0.487 0.000 1.208 713 A CA -0.033 51.883 52.037 -0.203 0.000 0.845 713 A CB 0.010 18.997 19.000 -0.022 0.000 1.125 713 A HN 0.956 nan 8.150 nan 0.000 0.517 714 A N 2.402 125.116 122.820 -0.177 0.000 2.262 714 A HA 0.435 4.755 4.320 0.000 0.000 0.273 714 A C 0.670 178.303 177.584 0.081 0.000 1.202 714 A CA -0.156 51.874 52.037 -0.013 0.000 0.811 714 A CB -0.179 18.883 19.000 0.103 0.000 1.159 714 A HN 1.040 nan 8.150 nan 0.000 0.505 715 N N -0.208 118.594 118.700 0.169 0.000 2.427 715 N HA 0.339 5.079 4.740 0.000 0.000 0.269 715 N C 0.828 176.558 175.510 0.366 0.000 1.235 715 N CA 1.485 54.687 53.050 0.253 0.000 0.934 715 N CB -0.128 38.513 38.487 0.256 0.000 1.121 715 N HN 1.538 nan 8.380 nan 0.000 0.480 716 G N 1.677 110.640 108.800 0.272 0.000 2.160 716 G HA2 -0.162 3.798 3.960 0.000 0.000 0.251 716 G HA3 -0.162 3.798 3.960 0.000 0.000 0.251 716 G C 0.428 175.430 174.900 0.169 0.000 1.008 716 G CA 0.262 45.480 45.100 0.196 0.000 0.724 716 G HN 0.958 nan 8.290 nan 0.000 0.514 717 G N -1.640 107.238 108.800 0.129 0.000 2.971 717 G HA2 1.057 5.017 3.960 0.000 0.000 0.235 717 G HA3 1.057 5.017 3.960 0.000 0.000 0.235 717 G C 0.382 175.300 174.900 0.030 0.000 1.351 717 G CA 0.264 45.417 45.100 0.088 0.000 1.039 717 G HN 1.675 nan 8.290 nan 0.000 0.563 718 G N -2.221 106.591 108.800 0.020 0.000 2.335 718 G HA2 0.609 4.569 3.960 0.000 0.000 0.291 718 G HA3 0.609 4.569 3.960 0.000 0.000 0.291 718 G C -1.745 173.170 174.900 0.026 0.000 1.261 718 G CA 0.160 45.216 45.100 -0.073 0.000 0.871 718 G HN 1.704 nan 8.290 nan 0.000 0.491 719 Y N -2.451 117.856 120.300 0.012 0.000 2.656 719 Y HA 0.889 5.439 4.550 0.000 0.000 0.334 719 Y C -0.432 175.433 175.900 -0.059 0.000 1.179 719 Y CA -1.445 56.656 58.100 0.002 0.000 1.050 719 Y CB 1.127 39.609 38.460 0.037 0.000 1.308 719 Y HN 1.676 nan 8.280 nan 0.000 0.456 720 A N 2.044 124.941 122.820 0.129 0.000 2.449 720 A HA 0.895 5.215 4.320 0.000 0.000 0.302 720 A C -1.677 175.934 177.584 0.044 0.000 1.048 720 A CA -0.864 51.041 52.037 -0.220 0.000 0.708 720 A CB 1.163 19.430 19.000 -1.222 0.000 1.274 720 A HN 0.756 nan 8.150 nan 0.000 0.410 721 I N 1.665 122.361 120.570 0.210 0.000 2.534 721 I HA 0.375 4.545 4.170 0.000 0.000 0.288 721 I C 0.022 176.458 176.117 0.532 0.000 1.077 721 I CA -0.559 60.964 61.300 0.372 0.000 1.051 721 I CB 2.563 40.739 38.000 0.292 0.000 1.234 721 I HN 0.666 nan 8.210 nan 0.000 0.425 722 S N 6.623 122.629 115.700 0.510 0.000 2.462 722 S HA 0.759 5.229 4.470 0.000 0.000 0.294 722 S C -0.618 173.994 174.600 0.020 0.000 1.144 722 S CA -0.634 57.706 58.200 0.232 0.000 1.088 722 S CB 1.309 64.746 63.200 0.395 0.000 1.009 722 S HN 0.505 nan 8.310 nan 0.000 0.484 723 I N 2.919 123.397 120.570 -0.153 0.000 2.495 723 I HA 0.320 4.490 4.170 0.000 0.000 0.277 723 I C -0.411 175.743 176.117 0.063 0.000 1.045 723 I CA -0.528 60.745 61.300 -0.045 0.000 1.135 723 I CB 1.152 39.095 38.000 -0.095 0.000 1.241 723 I HN 0.532 nan 8.210 nan 0.000 0.469 724 K N 5.246 125.714 120.400 0.113 0.000 2.185 724 K HA 0.340 4.660 4.320 0.000 0.000 0.269 724 K C -0.138 176.583 176.600 0.202 0.000 0.987 724 K CA -0.726 55.653 56.287 0.153 0.000 0.865 724 K CB 2.171 34.715 32.500 0.074 0.000 1.090 724 K HN 0.476 nan 8.250 nan 0.000 0.450 725 E N 2.713 123.012 120.200 0.166 0.000 2.415 725 E HA -0.012 4.338 4.350 0.000 0.000 0.263 725 E C -0.538 175.983 176.600 -0.132 0.000 0.995 725 E CA -0.347 55.949 56.400 -0.173 0.000 0.915 725 E CB 0.722 30.326 29.700 -0.161 0.000 0.951 725 E HN 0.211 nan 8.360 nan 0.000 0.449 726 V N 6.126 125.921 119.914 -0.198 0.000 2.585 726 V HA -0.029 4.091 4.120 0.000 0.000 0.296 726 V C 1.027 177.063 176.094 -0.097 0.000 1.035 726 V CA 0.467 62.699 62.300 -0.113 0.000 1.084 726 V CB 0.990 32.745 31.823 -0.114 0.000 0.953 726 V HN 0.687 nan 8.190 nan 0.000 0.483 727 K N 2.507 122.871 120.400 -0.059 0.000 2.402 727 K HA 0.306 4.626 4.320 0.000 0.000 0.204 727 K C -0.054 176.523 176.600 -0.038 0.000 1.056 727 K CA 0.094 56.353 56.287 -0.047 0.000 1.069 727 K CB 0.628 33.108 32.500 -0.033 0.000 0.888 727 K HN 0.784 nan 8.250 nan 0.000 0.546 728 D N 0.017 120.394 120.400 -0.037 0.000 2.878 728 D HA 0.111 4.751 4.640 0.000 0.000 0.211 728 D C 0.079 176.362 176.300 -0.030 0.000 1.271 728 D CA -0.078 53.904 54.000 -0.030 0.000 0.845 728 D CB 1.434 42.221 40.800 -0.022 0.000 1.679 728 D HN -0.318 nan 8.370 nan 0.000 0.536 729 K N 0.389 120.773 120.400 -0.028 0.000 2.074 729 K HA -0.103 4.217 4.320 0.000 0.000 0.209 729 K C 1.432 178.019 176.600 -0.021 0.000 1.048 729 K CA 0.969 57.240 56.287 -0.026 0.000 0.926 729 K CB -0.317 32.170 32.500 -0.023 0.000 0.713 729 K HN 0.207 nan 8.250 nan 0.000 0.444 730 S N 0.448 116.138 115.700 -0.018 0.000 3.110 730 S HA -0.029 4.441 4.470 0.000 0.000 0.253 730 S C 0.440 175.033 174.600 -0.012 0.000 1.074 730 S CA 0.236 58.428 58.200 -0.013 0.000 1.201 730 S CB -0.501 62.692 63.200 -0.011 0.000 0.889 730 S HN 0.290 nan 8.310 nan 0.000 0.490 731 E N -0.493 119.698 120.200 -0.015 0.000 2.489 731 E HA 0.244 4.594 4.350 0.000 0.000 0.208 731 E C 1.671 178.264 176.600 -0.013 0.000 0.814 731 E CA 0.471 56.864 56.400 -0.012 0.000 1.348 731 E CB 0.026 29.717 29.700 -0.014 0.000 1.334 731 E HN 0.459 nan 8.360 nan 0.000 0.672 732 A N 1.226 124.035 122.820 -0.018 0.000 2.218 732 A HA 0.075 4.395 4.320 0.000 0.000 0.209 732 A C 0.676 178.251 177.584 -0.016 0.000 1.168 732 A CA 0.087 52.112 52.037 -0.019 0.000 0.804 732 A CB -0.075 18.909 19.000 -0.026 0.000 0.834 732 A HN -0.130 nan 8.150 nan 0.000 0.482 733 K N 0.156 120.548 120.400 -0.014 0.000 2.466 733 K HA 0.310 4.630 4.320 0.000 0.000 0.278 733 K C 1.294 177.888 176.600 -0.010 0.000 1.048 733 K CA 1.090 57.370 56.287 -0.011 0.000 1.088 733 K CB -0.340 32.155 32.500 -0.009 0.000 0.884 733 K HN 0.715 nan 8.250 nan 0.000 0.478 734 G N 2.041 110.835 108.800 -0.010 0.000 2.205 734 G HA2 -0.290 3.671 3.960 0.000 0.000 0.261 734 G HA3 -0.290 3.671 3.960 0.000 0.000 0.261 734 G C 0.007 174.900 174.900 -0.012 0.000 0.980 734 G CA 0.144 45.239 45.100 -0.010 0.000 0.632 734 G HN 0.439 nan 8.290 nan 0.000 0.533 735 L N 0.264 121.479 121.223 -0.014 0.000 2.334 735 L HA 0.615 4.955 4.340 0.000 0.000 0.277 735 L C 0.577 177.434 176.870 -0.021 0.000 1.075 735 L CA -0.577 54.252 54.840 -0.018 0.000 0.804 735 L CB 1.335 43.383 42.059 -0.019 0.000 1.174 735 L HN 0.073 nan 8.230 nan 0.000 0.438 736 K N 2.067 122.453 120.400 -0.024 0.000 2.340 736 K HA 0.540 4.860 4.320 0.000 0.000 0.244 736 K C -0.803 175.777 176.600 -0.032 0.000 0.973 736 K CA -1.057 55.215 56.287 -0.026 0.000 0.828 736 K CB 1.928 34.414 32.500 -0.023 0.000 1.226 736 K HN 0.418 nan 8.250 nan 0.000 0.437 737 R N 1.279 121.760 120.500 -0.032 0.000 2.623 737 R HA 0.120 4.460 4.340 0.000 0.000 0.271 737 R C 0.088 176.363 176.300 -0.043 0.000 1.043 737 R CA 0.053 56.129 56.100 -0.040 0.000 1.083 737 R CB 0.105 30.384 30.300 -0.034 0.000 0.974 737 R HN 0.352 nan 8.270 nan 0.000 0.436 738 L N 0.000 121.188 121.223 -0.058 0.000 2.949 738 L HA 0.000 4.340 4.340 0.000 0.000 0.249 738 L CA 0.000 54.808 54.840 -0.054 0.000 0.813 738 L CB 0.000 42.011 42.059 -0.080 0.000 0.961 738 L HN 0.000 nan 8.230 nan 0.000 0.502