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 2xax_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPXXXXXX FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLXAQN TRDG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.518 175.510 0.013 0.000 1.280 4 N CA 0.000 53.059 53.050 0.014 0.000 0.885 4 N CB 0.000 38.493 38.487 0.010 0.000 1.341 5 L N 0.981 122.212 121.223 0.013 0.000 2.619 5 L HA -0.122 4.219 4.340 0.001 0.000 0.533 5 L C -1.161 175.693 176.870 -0.027 0.000 1.002 5 L CA 0.270 55.111 54.840 0.003 0.000 1.266 5 L CB -0.366 41.704 42.059 0.017 0.000 1.549 5 L HN 0.368 nan 8.230 nan 0.000 0.778 6 L N 2.762 123.962 121.223 -0.038 0.000 2.279 6 L HA 1.048 5.388 4.340 0.001 0.000 0.262 6 L C -0.607 176.206 176.870 -0.095 0.000 1.019 6 L CA -1.076 53.731 54.840 -0.055 0.000 0.823 6 L CB 1.980 44.022 42.059 -0.029 0.000 1.358 6 L HN 0.148 nan 8.230 nan 0.000 0.432 7 V N -0.775 119.080 119.914 -0.098 0.000 2.876 7 V HA 0.444 4.564 4.120 0.001 0.000 0.312 7 V C -0.310 175.734 176.094 -0.084 0.000 1.085 7 V CA -0.316 61.904 62.300 -0.134 0.000 0.945 7 V CB 2.450 34.178 31.823 -0.160 0.000 1.017 7 V HN 0.890 nan 8.190 nan 0.000 0.428 8 T N 4.829 119.334 114.554 -0.081 0.000 2.723 8 T HA 0.244 4.594 4.350 0.001 0.000 0.297 8 T C 0.139 174.817 174.700 -0.037 0.000 0.925 8 T CA -0.280 61.795 62.100 -0.041 0.000 1.030 8 T CB 0.114 68.970 68.868 -0.020 0.000 0.905 8 T HN 0.411 nan 8.240 nan 0.000 0.502 9 K N 2.543 122.929 120.400 -0.023 0.000 2.319 9 K HA 0.163 4.483 4.320 0.001 0.000 0.265 9 K C 1.473 178.074 176.600 0.003 0.000 1.000 9 K CA -0.547 55.734 56.287 -0.010 0.000 0.943 9 K CB 0.567 33.063 32.500 -0.007 0.000 0.950 9 K HN 0.398 nan 8.250 nan 0.000 0.485 10 R N 2.031 122.540 120.500 0.014 0.000 2.103 10 R HA -0.206 4.135 4.340 0.001 0.000 0.242 10 R C 1.629 177.935 176.300 0.010 0.000 1.142 10 R CA 2.421 58.532 56.100 0.018 0.000 0.960 10 R CB -0.722 29.591 30.300 0.022 0.000 0.858 10 R HN 0.819 nan 8.270 nan 0.000 0.439 11 D N -2.201 118.203 120.400 0.007 0.000 2.097 11 D HA -0.092 4.549 4.640 0.001 0.000 0.195 11 D C 1.296 177.599 176.300 0.005 0.000 0.989 11 D CA 1.723 55.726 54.000 0.004 0.000 0.827 11 D CB -0.158 40.644 40.800 0.003 0.000 0.966 11 D HN 0.338 nan 8.370 nan 0.000 0.456 12 G N -0.906 107.896 108.800 0.004 0.000 2.902 12 G HA2 -0.116 3.845 3.960 0.001 0.000 0.215 12 G HA3 -0.116 3.845 3.960 0.001 0.000 0.215 12 G C 0.476 175.378 174.900 0.002 0.000 0.976 12 G CA 0.213 45.316 45.100 0.005 0.000 0.794 12 G HN 0.696 nan 8.290 nan 0.000 0.557 13 S N -0.450 115.250 115.700 0.000 0.000 2.602 13 S HA 0.717 5.188 4.470 0.001 0.000 0.257 13 S C 0.973 175.569 174.600 -0.006 0.000 1.250 13 S CA 1.136 59.335 58.200 -0.002 0.000 0.986 13 S CB 1.371 64.570 63.200 -0.002 0.000 1.040 13 S HN 0.774 nan 8.310 nan 0.000 0.562 14 T N -1.024 113.526 114.554 -0.007 0.000 2.579 14 T HA 0.407 4.757 4.350 0.001 0.000 0.214 14 T C -0.390 174.299 174.700 -0.018 0.000 0.899 14 T CA 0.640 62.732 62.100 -0.012 0.000 1.323 14 T CB -0.769 68.095 68.868 -0.007 0.000 2.982 14 T HN 1.119 nan 8.240 nan 0.000 0.440 15 E N 0.604 120.794 120.200 -0.018 0.000 8.027 15 E HA -0.143 4.208 4.350 0.001 0.000 0.470 15 E C -1.010 175.571 176.600 -0.032 0.000 0.808 15 E CA 0.102 56.490 56.400 -0.020 0.000 1.520 15 E CB -0.288 29.403 29.700 -0.016 0.000 0.979 15 E HN 0.625 nan 8.360 nan 0.000 0.262 16 R N 1.735 122.218 120.500 -0.028 0.000 2.900 16 R HA 0.580 4.920 4.340 0.001 0.000 0.198 16 R C 0.508 176.777 176.300 -0.052 0.000 1.053 16 R CA 0.101 56.180 56.100 -0.034 0.000 1.132 16 R CB 0.143 30.432 30.300 -0.020 0.000 1.041 16 R HN 0.530 nan 8.270 nan 0.000 0.499 17 I N 1.485 122.026 120.570 -0.049 0.000 2.439 17 I HA 0.183 4.354 4.170 0.001 0.000 0.285 17 I C -1.118 174.973 176.117 -0.044 0.000 1.021 17 I CA -0.608 60.648 61.300 -0.073 0.000 1.091 17 I CB 1.592 39.535 38.000 -0.096 0.000 1.242 17 I HN 0.486 nan 8.210 nan 0.000 0.439 18 N N 7.750 126.421 118.700 -0.049 0.000 3.034 18 N HA 0.195 4.936 4.740 0.001 0.000 0.265 18 N C 1.031 176.545 175.510 0.007 0.000 1.166 18 N CA -0.166 52.875 53.050 -0.015 0.000 1.081 18 N CB 0.152 38.635 38.487 -0.007 0.000 1.378 18 N HN 0.628 nan 8.380 nan 0.000 0.520 19 L N -0.045 121.199 121.223 0.036 0.000 2.447 19 L HA -0.134 4.206 4.340 0.001 0.000 0.225 19 L C 1.088 178.029 176.870 0.118 0.000 1.148 19 L CA 0.903 55.807 54.840 0.107 0.000 0.808 19 L CB -0.011 42.126 42.059 0.130 0.000 0.928 19 L HN 0.335 nan 8.230 nan 0.000 0.448 20 D N -0.727 119.718 120.400 0.075 0.000 2.277 20 D HA -0.071 4.569 4.640 0.001 0.000 0.209 20 D C 2.038 178.392 176.300 0.091 0.000 0.970 20 D CA 0.292 54.342 54.000 0.084 0.000 0.874 20 D CB 0.237 41.064 40.800 0.045 0.000 0.982 20 D HN 0.072 nan 8.370 nan 0.000 0.504 21 K N 1.421 121.855 120.400 0.057 0.000 2.097 21 K HA 0.001 4.321 4.320 0.001 0.000 0.205 21 K C 2.214 178.833 176.600 0.033 0.000 1.050 21 K CA 0.304 56.614 56.287 0.038 0.000 0.938 21 K CB -0.327 32.193 32.500 0.032 0.000 0.718 21 K HN 0.233 nan 8.250 nan 0.000 0.442 22 I N -0.470 120.135 120.570 0.058 0.000 2.113 22 I HA -0.316 3.854 4.170 0.001 0.000 0.238 22 I C 2.405 178.583 176.117 0.101 0.000 1.070 22 I CA 1.582 62.927 61.300 0.075 0.000 1.332 22 I CB -0.440 37.637 38.000 0.129 0.000 1.044 22 I HN 0.246 nan 8.210 nan 0.000 0.402 23 H N 1.082 120.189 119.070 0.062 0.000 2.387 23 H HA -0.123 4.434 4.556 0.001 0.000 0.299 23 H C 2.407 177.752 175.328 0.029 0.000 1.099 23 H CA 1.636 57.713 56.048 0.048 0.000 1.315 23 H CB 0.098 29.885 29.762 0.041 0.000 1.380 23 H HN 0.080 nan 8.280 nan 0.000 0.513 24 R N -0.379 120.173 120.500 0.087 0.000 2.113 24 R HA -0.150 4.190 4.340 0.001 0.000 0.231 24 R C 2.373 178.645 176.300 -0.048 0.000 1.129 24 R CA 1.825 57.936 56.100 0.018 0.000 0.915 24 R CB -0.807 29.498 30.300 0.008 0.000 0.837 24 R HN 0.228 nan 8.270 nan 0.000 0.430 25 V N 1.877 121.720 119.914 -0.117 0.000 2.317 25 V HA -0.286 3.834 4.120 0.001 0.000 0.251 25 V C 2.414 178.493 176.094 -0.024 0.000 1.065 25 V CA 1.864 64.025 62.300 -0.233 0.000 1.049 25 V CB -0.486 31.071 31.823 -0.444 0.000 0.651 25 V HN 0.317 nan 8.190 nan 0.000 0.450 26 L N -0.658 120.533 121.223 -0.054 0.000 2.056 26 L HA -0.157 4.184 4.340 0.001 0.000 0.207 26 L C 2.439 179.254 176.870 -0.093 0.000 1.078 26 L CA 1.715 56.518 54.840 -0.061 0.000 0.749 26 L CB -0.750 41.248 42.059 -0.101 0.000 0.901 26 L HN 0.336 nan 8.230 nan 0.000 0.433 27 D N -0.599 119.707 120.400 -0.157 0.000 2.221 27 D HA -0.240 4.400 4.640 0.001 0.000 0.204 27 D C 1.846 178.153 176.300 0.011 0.000 0.982 27 D CA 1.076 55.008 54.000 -0.114 0.000 0.857 27 D CB 0.085 40.823 40.800 -0.102 0.000 0.934 27 D HN 0.433 nan 8.370 nan 0.000 0.475 28 W N 1.584 122.800 121.300 -0.140 0.000 2.408 28 W HA 0.014 4.674 4.660 0.000 0.000 0.311 28 W C 2.317 178.792 176.519 -0.074 0.000 1.190 28 W CA 1.965 59.245 57.345 -0.108 0.000 1.321 28 W CB -0.682 28.682 29.460 -0.159 0.000 1.143 28 W HN -0.082 nan 8.180 nan 0.000 0.501 29 A N 0.887 123.530 122.820 -0.294 0.000 2.024 29 A HA -0.052 4.268 4.320 0.001 0.000 0.220 29 A C 2.048 179.443 177.584 -0.315 0.000 1.164 29 A CA 2.364 54.106 52.037 -0.492 0.000 0.643 29 A CB -1.394 17.501 19.000 -0.174 0.000 0.806 29 A HN 0.492 nan 8.150 nan 0.000 0.451 30 A N -0.332 122.365 122.820 -0.205 0.000 2.016 30 A HA 0.080 4.400 4.320 0.001 0.000 0.217 30 A C 0.866 178.351 177.584 -0.165 0.000 1.162 30 A CA 0.308 52.247 52.037 -0.163 0.000 0.662 30 A CB -0.305 18.624 19.000 -0.119 0.000 0.812 30 A HN 0.580 nan 8.150 nan 0.000 0.450 31 E N -0.659 119.437 120.200 -0.173 0.000 3.025 31 E HA 0.202 4.552 4.350 0.001 0.000 0.248 31 E C 1.245 177.750 176.600 -0.159 0.000 0.938 31 E CA 0.832 57.148 56.400 -0.139 0.000 0.958 31 E CB -0.186 29.432 29.700 -0.136 0.000 0.898 31 E HN 0.677 nan 8.360 nan 0.000 0.537 32 G N 2.804 111.531 108.800 -0.122 0.000 2.241 32 G HA2 -0.303 3.657 3.960 0.001 0.000 0.244 32 G HA3 -0.303 3.657 3.960 0.001 0.000 0.244 32 G C 0.212 174.916 174.900 -0.326 0.000 0.998 32 G CA 0.017 45.022 45.100 -0.157 0.000 0.621 32 G HN 0.414 nan 8.290 nan 0.000 0.519 33 L N 1.141 122.182 121.223 -0.303 0.000 2.350 33 L HA 0.628 4.968 4.340 0.001 0.000 0.275 33 L C 0.524 177.191 176.870 -0.338 0.000 1.099 33 L CA -0.939 53.671 54.840 -0.383 0.000 0.808 33 L CB 0.847 42.761 42.059 -0.242 0.000 1.149 33 L HN 0.285 nan 8.230 nan 0.000 0.442 34 H N 1.461 120.487 119.070 -0.074 0.000 2.492 34 H HA 0.280 4.837 4.556 0.001 0.000 0.345 34 H C 0.037 175.309 175.328 -0.093 0.000 1.136 34 H CA -0.834 55.176 56.048 -0.065 0.000 1.202 34 H CB 1.065 30.810 29.762 -0.029 0.000 1.524 34 H HN 0.673 nan 8.280 nan 0.000 0.506 35 N N 0.095 118.815 118.700 0.033 0.000 2.815 35 N HA -0.185 4.556 4.740 0.001 0.000 0.249 35 N C -1.287 174.128 175.510 -0.158 0.000 1.114 35 N CA 0.722 53.759 53.050 -0.022 0.000 0.717 35 N CB -0.726 37.775 38.487 0.022 0.000 1.074 35 N HN 0.421 nan 8.380 nan 0.000 0.555 36 V N -2.407 117.354 119.914 -0.254 0.000 2.409 36 V HA 0.752 4.872 4.120 0.001 0.000 0.291 36 V C 0.392 176.417 176.094 -0.116 0.000 1.020 36 V CA -0.577 61.437 62.300 -0.477 0.000 0.848 36 V CB 1.848 33.152 31.823 -0.865 0.000 0.990 36 V HN 0.155 nan 8.190 nan 0.000 0.430 37 S N 4.349 120.102 115.700 0.087 0.000 2.430 37 S HA 0.520 4.990 4.470 0.001 0.000 0.289 37 S C 0.998 175.656 174.600 0.096 0.000 1.143 37 S CA -0.635 57.618 58.200 0.088 0.000 1.067 37 S CB 0.519 63.778 63.200 0.098 0.000 0.964 37 S HN 0.747 nan 8.310 nan 0.000 0.485 38 I N 3.876 124.471 120.570 0.043 0.000 2.252 38 I HA -0.169 4.001 4.170 0.001 0.000 0.245 38 I C 2.466 178.604 176.117 0.034 0.000 1.102 38 I CA 1.171 62.487 61.300 0.027 0.000 1.385 38 I CB -0.445 37.534 38.000 -0.035 0.000 1.064 38 I HN 0.707 nan 8.210 nan 0.000 0.414 39 S N 0.508 116.230 115.700 0.037 0.000 2.374 39 S HA -0.259 4.211 4.470 0.001 0.000 0.227 39 S C 1.884 176.467 174.600 -0.029 0.000 1.037 39 S CA 1.015 59.214 58.200 -0.002 0.000 1.024 39 S CB -0.551 62.649 63.200 0.001 0.000 0.861 39 S HN 0.447 nan 8.310 nan 0.000 0.456 40 Q N 0.843 120.646 119.800 0.004 0.000 2.030 40 Q HA -0.071 4.269 4.340 0.001 0.000 0.204 40 Q C 2.555 178.532 176.000 -0.038 0.000 0.986 40 Q CA 1.565 57.360 55.803 -0.013 0.000 0.843 40 Q CB -0.863 27.887 28.738 0.020 0.000 0.904 40 Q HN 0.531 nan 8.270 nan 0.000 0.420 41 V N 1.182 121.095 119.914 -0.003 0.000 2.343 41 V HA -0.262 3.858 4.120 0.001 0.000 0.247 41 V C 2.168 178.248 176.094 -0.023 0.000 1.051 41 V CA 1.877 64.173 62.300 -0.007 0.000 1.036 41 V CB -0.464 31.389 31.823 0.050 0.000 0.654 41 V HN 0.372 nan 8.190 nan 0.000 0.451 42 E N -0.063 120.092 120.200 -0.075 0.000 2.005 42 E HA -0.241 4.109 4.350 0.001 0.000 0.198 42 E C 2.218 178.601 176.600 -0.361 0.000 1.010 42 E CA 1.799 58.006 56.400 -0.321 0.000 0.825 42 E CB -0.331 29.128 29.700 -0.403 0.000 0.769 42 E HN 0.455 nan 8.360 nan 0.000 0.456 43 L N 0.242 121.318 121.223 -0.245 0.000 2.103 43 L HA -0.295 4.046 4.340 0.001 0.000 0.215 43 L C 2.547 179.341 176.870 -0.126 0.000 1.080 43 L CA 1.518 56.260 54.840 -0.164 0.000 0.764 43 L CB -0.380 41.616 42.059 -0.104 0.000 0.890 43 L HN 0.105 nan 8.230 nan 0.000 0.435 44 R N -0.970 119.463 120.500 -0.111 0.000 2.173 44 R HA -0.024 4.316 4.340 0.001 0.000 0.208 44 R C 2.442 178.666 176.300 -0.127 0.000 1.035 44 R CA 1.137 57.175 56.100 -0.103 0.000 1.004 44 R CB 0.029 30.272 30.300 -0.094 0.000 0.917 44 R HN 0.452 nan 8.270 nan 0.000 0.462 45 S N -0.776 114.841 115.700 -0.138 0.000 2.475 45 S HA 0.027 4.497 4.470 0.001 0.000 0.224 45 S C 1.623 175.735 174.600 -0.814 0.000 1.042 45 S CA 0.099 58.136 58.200 -0.272 0.000 0.935 45 S CB -0.303 62.841 63.200 -0.093 0.000 0.801 45 S HN 0.354 nan 8.310 nan 0.000 0.509 46 H N 0.738 119.265 119.070 -0.906 0.000 2.387 46 H HA 0.057 4.614 4.556 0.001 0.000 0.299 46 H C 1.979 176.922 175.328 -0.641 0.000 1.090 46 H CA 1.379 56.763 56.048 -1.106 0.000 1.332 46 H CB -0.151 29.375 29.762 -0.393 0.000 1.386 46 H HN 0.322 nan 8.280 nan 0.000 0.516 47 I N 1.490 121.917 120.570 -0.239 0.000 2.800 47 I HA -0.222 3.948 4.170 0.001 0.000 0.266 47 I C 1.583 177.640 176.117 -0.100 0.000 1.249 47 I CA 1.348 62.575 61.300 -0.123 0.000 1.458 47 I CB -0.090 37.863 38.000 -0.078 0.000 1.093 47 I HN 0.171 nan 8.210 nan 0.000 0.466 48 Q N -0.921 118.764 119.800 -0.192 0.000 2.319 48 Q HA 0.137 4.477 4.340 0.001 0.000 0.202 48 Q C -0.391 175.726 176.000 0.195 0.000 0.896 48 Q CA -0.226 55.574 55.803 -0.006 0.000 0.942 48 Q CB 0.346 29.084 28.738 0.000 0.000 1.083 48 Q HN 0.211 nan 8.270 nan 0.000 0.510 49 F N 1.128 121.082 119.950 0.008 0.000 2.412 49 F HA 0.229 4.756 4.527 0.001 0.000 0.348 49 F C 0.019 175.821 175.800 0.003 0.000 1.102 49 F CA -1.583 56.360 58.000 -0.096 0.000 1.196 49 F CB -0.044 38.852 39.000 -0.173 0.000 1.144 49 F HN -0.031 nan 8.300 nan 0.000 0.541 50 Y N -1.419 118.975 120.300 0.156 0.000 2.536 50 Y HA 0.529 5.079 4.550 0.001 0.000 0.347 50 Y C -0.610 175.310 175.900 0.033 0.000 1.000 50 Y CA -2.082 56.064 58.100 0.076 0.000 1.051 50 Y CB 0.509 39.000 38.460 0.052 0.000 1.259 50 Y HN 0.531 nan 8.280 nan 0.000 0.468 51 D N 1.239 121.743 120.400 0.174 0.000 2.533 51 D HA 0.347 4.987 4.640 0.001 0.000 0.236 51 D C 1.185 177.562 176.300 0.128 0.000 1.137 51 D CA 2.850 56.900 54.000 0.084 0.000 0.867 51 D CB 0.359 41.210 40.800 0.085 0.000 1.170 51 D HN 1.039 nan 8.370 nan 0.000 0.474 52 G N 3.410 112.214 108.800 0.007 0.000 2.241 52 G HA2 -0.314 3.646 3.960 0.001 0.000 0.244 52 G HA3 -0.314 3.646 3.960 0.001 0.000 0.244 52 G C 0.697 175.575 174.900 -0.037 0.000 0.998 52 G CA -0.057 45.062 45.100 0.031 0.000 0.621 52 G HN 0.723 nan 8.290 nan 0.000 0.519 53 I N 2.417 122.783 120.570 -0.341 0.000 2.989 53 I HA 0.129 4.299 4.170 0.001 0.000 0.311 53 I C 1.281 177.220 176.117 -0.296 0.000 1.221 53 I CA 0.763 61.654 61.300 -0.682 0.000 1.449 53 I CB 0.344 37.543 38.000 -1.335 0.000 1.325 53 I HN 0.474 nan 8.210 nan 0.000 0.557 54 K N 5.235 125.552 120.400 -0.140 0.000 2.180 54 K HA 0.149 4.470 4.320 0.001 0.000 0.251 54 K C 0.499 177.025 176.600 -0.123 0.000 1.014 54 K CA -0.318 55.917 56.287 -0.085 0.000 0.913 54 K CB 1.149 33.646 32.500 -0.005 0.000 1.008 54 K HN 0.664 nan 8.250 nan 0.000 0.490 55 T N 1.054 115.566 114.554 -0.071 0.000 2.821 55 T HA -0.116 4.234 4.350 0.001 0.000 0.267 55 T C 1.811 176.542 174.700 0.050 0.000 1.046 55 T CA 1.740 63.804 62.100 -0.061 0.000 1.139 55 T CB -0.255 68.622 68.868 0.015 0.000 0.871 55 T HN 0.739 nan 8.240 nan 0.000 0.454 56 S N 2.279 118.049 115.700 0.117 0.000 2.374 56 S HA -0.179 4.291 4.470 0.001 0.000 0.227 56 S C 1.648 176.290 174.600 0.070 0.000 1.037 56 S CA 1.187 59.501 58.200 0.191 0.000 1.024 56 S CB -0.492 62.798 63.200 0.150 0.000 0.861 56 S HN 0.464 nan 8.310 nan 0.000 0.456 57 D N 1.342 121.742 120.400 0.000 0.000 2.264 57 D HA 0.054 4.695 4.640 0.001 0.000 0.208 57 D C 1.774 178.029 176.300 -0.075 0.000 0.966 57 D CA 0.650 54.636 54.000 -0.023 0.000 0.864 57 D CB -0.224 40.570 40.800 -0.010 0.000 0.933 57 D HN 0.425 nan 8.370 nan 0.000 0.499 58 I N 0.079 120.528 120.570 -0.202 0.000 2.406 58 I HA -0.203 3.968 4.170 0.001 0.000 0.249 58 I C 2.004 177.988 176.117 -0.223 0.000 1.122 58 I CA 0.844 61.942 61.300 -0.338 0.000 1.431 58 I CB -0.205 37.404 38.000 -0.651 0.000 1.087 58 I HN 0.020 nan 8.210 nan 0.000 0.424 59 H N 0.704 119.729 119.070 -0.076 0.000 2.326 59 H HA -0.125 4.432 4.556 0.001 0.000 0.301 59 H C 2.147 177.405 175.328 -0.117 0.000 1.081 59 H CA 1.488 57.492 56.048 -0.074 0.000 1.334 59 H CB 0.004 29.697 29.762 -0.116 0.000 1.385 59 H HN 0.257 nan 8.280 nan 0.000 0.504 60 E N -0.246 119.908 120.200 -0.078 0.000 2.085 60 E HA -0.167 4.183 4.350 0.001 0.000 0.194 60 E C 1.995 178.611 176.600 0.026 0.000 0.994 60 E CA 1.732 58.101 56.400 -0.051 0.000 0.801 60 E CB -0.026 29.648 29.700 -0.043 0.000 0.743 60 E HN 0.413 nan 8.360 nan 0.000 0.453 61 T N 1.758 116.348 114.554 0.059 0.000 2.821 61 T HA -0.096 4.255 4.350 0.001 0.000 0.267 61 T C 1.905 176.660 174.700 0.092 0.000 1.046 61 T CA 1.010 63.172 62.100 0.103 0.000 1.139 61 T CB -0.101 68.895 68.868 0.213 0.000 0.871 61 T HN 0.281 nan 8.240 nan 0.000 0.454 62 I N 0.296 120.934 120.570 0.113 0.000 2.500 62 I HA -0.011 4.159 4.170 0.001 0.000 0.252 62 I C 1.981 178.132 176.117 0.056 0.000 1.142 62 I CA 1.399 62.761 61.300 0.103 0.000 1.451 62 I CB -0.855 37.231 38.000 0.143 0.000 1.093 62 I HN 0.229 nan 8.210 nan 0.000 0.430 63 I N 1.960 122.566 120.570 0.059 0.000 2.113 63 I HA -0.300 3.870 4.170 0.001 0.000 0.238 63 I C 2.759 178.834 176.117 -0.071 0.000 1.070 63 I CA 1.884 63.203 61.300 0.031 0.000 1.332 63 I CB -0.530 37.534 38.000 0.107 0.000 1.044 63 I HN 0.205 nan 8.210 nan 0.000 0.402 64 K N 1.244 121.629 120.400 -0.026 0.000 2.211 64 K HA -0.210 4.111 4.320 0.001 0.000 0.204 64 K C 2.029 178.570 176.600 -0.098 0.000 1.047 64 K CA 1.499 57.754 56.287 -0.053 0.000 0.935 64 K CB -0.075 32.427 32.500 0.004 0.000 0.728 64 K HN 0.353 nan 8.250 nan 0.000 0.452 65 A N 0.797 123.572 122.820 -0.075 0.000 1.872 65 A HA 0.027 4.347 4.320 0.001 0.000 0.214 65 A C 2.340 179.832 177.584 -0.154 0.000 1.187 65 A CA 1.400 53.379 52.037 -0.097 0.000 0.614 65 A CB -0.805 18.160 19.000 -0.058 0.000 0.826 65 A HN 0.441 nan 8.150 nan 0.000 0.442 66 A N 0.217 122.963 122.820 -0.123 0.000 1.883 66 A HA 0.076 4.397 4.320 0.001 0.000 0.217 66 A C 2.534 179.970 177.584 -0.247 0.000 1.186 66 A CA 2.434 54.398 52.037 -0.122 0.000 0.624 66 A CB -1.215 17.772 19.000 -0.022 0.000 0.822 66 A HN 1.123 nan 8.150 nan 0.000 0.444 67 A N 0.190 122.789 122.820 -0.367 0.000 1.884 67 A HA -0.284 4.037 4.320 0.001 0.000 0.219 67 A C 1.748 179.171 177.584 -0.268 0.000 1.197 67 A CA 2.154 53.895 52.037 -0.493 0.000 0.637 67 A CB -0.892 17.728 19.000 -0.634 0.000 0.827 67 A HN 0.479 nan 8.150 nan 0.000 0.450 68 D N -0.417 119.853 120.400 -0.216 0.000 2.265 68 D HA -0.091 4.550 4.640 0.001 0.000 0.208 68 D C 1.564 177.724 176.300 -0.233 0.000 0.977 68 D CA 0.841 54.737 54.000 -0.173 0.000 0.871 68 D CB -0.255 40.462 40.800 -0.137 0.000 0.925 68 D HN 0.469 nan 8.370 nan 0.000 0.485 69 L N 0.391 121.384 121.223 -0.383 0.000 2.599 69 L HA 0.117 4.457 4.340 0.001 0.000 0.230 69 L C 0.746 177.359 176.870 -0.428 0.000 1.141 69 L CA -0.102 54.374 54.840 -0.608 0.000 0.877 69 L CB 0.121 41.395 42.059 -1.308 0.000 1.009 69 L HN -0.106 nan 8.230 nan 0.000 0.447 70 I N 0.495 120.954 120.570 -0.185 0.000 2.662 70 I HA -0.016 4.154 4.170 0.001 0.000 0.285 70 I C 0.585 176.689 176.117 -0.023 0.000 1.161 70 I CA 0.456 61.754 61.300 -0.003 0.000 1.415 70 I CB 0.205 38.199 38.000 -0.010 0.000 1.385 70 I HN 0.202 nan 8.210 nan 0.000 0.552 71 S N 6.182 121.891 115.700 0.015 0.000 2.625 71 S HA 0.421 4.891 4.470 0.001 0.000 0.271 71 S C 0.753 175.306 174.600 -0.078 0.000 1.161 71 S CA -1.122 57.057 58.200 -0.035 0.000 0.820 71 S CB 1.849 65.033 63.200 -0.026 0.000 1.137 71 S HN 0.713 nan 8.310 nan 0.000 0.470 72 R N 0.866 121.256 120.500 -0.184 0.000 2.120 72 R HA -0.122 4.218 4.340 0.001 0.000 0.234 72 R C 0.477 176.652 176.300 -0.208 0.000 1.123 72 R CA 2.145 57.983 56.100 -0.436 0.000 0.975 72 R CB -1.407 28.398 30.300 -0.827 0.000 0.866 72 R HN 0.713 nan 8.270 nan 0.000 0.446 73 D N 1.504 121.867 120.400 -0.061 0.000 2.117 73 D HA -0.027 4.613 4.640 0.001 0.000 0.198 73 D C 0.409 176.751 176.300 0.071 0.000 0.982 73 D CA 1.866 55.885 54.000 0.032 0.000 0.828 73 D CB 0.078 40.893 40.800 0.025 0.000 0.967 73 D HN 0.459 nan 8.370 nan 0.000 0.464 74 A N 0.015 122.889 122.820 0.090 0.000 3.064 74 A HA 0.375 4.696 4.320 0.001 0.000 0.339 74 A C -1.925 175.742 177.584 0.139 0.000 1.078 74 A CA -1.071 51.046 52.037 0.133 0.000 0.869 74 A CB 0.607 19.761 19.000 0.257 0.000 1.067 74 A HN -0.070 nan 8.150 nan 0.000 0.480 75 P HA -0.119 nan 4.420 nan 0.000 0.218 75 P C 0.559 177.924 177.300 0.109 0.000 1.149 75 P CA 1.063 64.223 63.100 0.101 0.000 0.817 75 P CB 0.285 32.069 31.700 0.140 0.000 0.785 76 D N -1.912 118.527 120.400 0.063 0.000 2.354 76 D HA -0.165 4.475 4.640 0.001 0.000 0.216 76 D C 1.439 177.722 176.300 -0.029 0.000 0.970 76 D CA 0.921 54.946 54.000 0.042 0.000 0.905 76 D CB -0.706 40.040 40.800 -0.090 0.000 0.903 76 D HN 0.258 nan 8.370 nan 0.000 0.508 77 Y N 0.854 121.160 120.300 0.010 0.000 2.333 77 Y HA -0.143 4.407 4.550 0.001 0.000 0.290 77 Y C 2.472 178.329 175.900 -0.073 0.000 1.144 77 Y CA 0.811 58.888 58.100 -0.039 0.000 1.228 77 Y CB -0.341 38.080 38.460 -0.064 0.000 0.985 77 Y HN 0.052 nan 8.280 nan 0.000 0.542 78 Q N -1.217 118.609 119.800 0.044 0.000 2.197 78 Q HA -0.252 4.089 4.340 0.001 0.000 0.207 78 Q C 1.188 177.027 176.000 -0.268 0.000 0.984 78 Q CA 1.956 57.675 55.803 -0.140 0.000 0.869 78 Q CB -0.158 28.414 28.738 -0.277 0.000 0.906 78 Q HN 0.606 nan 8.270 nan 0.000 0.426 79 Y N -1.613 118.720 120.300 0.055 0.000 2.479 79 Y HA -0.018 4.532 4.550 0.001 0.000 0.283 79 Y C 1.668 177.569 175.900 0.003 0.000 1.109 79 Y CA 0.085 58.206 58.100 0.035 0.000 1.239 79 Y CB -0.031 38.420 38.460 -0.016 0.000 1.108 79 Y HN 0.083 nan 8.280 nan 0.000 0.548 80 L N 0.349 121.624 121.223 0.087 0.000 2.042 80 L HA -0.176 4.164 4.340 0.001 0.000 0.210 80 L C 2.360 179.269 176.870 0.065 0.000 1.076 80 L CA 2.036 56.894 54.840 0.031 0.000 0.749 80 L CB -0.726 41.343 42.059 0.016 0.000 0.893 80 L HN 0.162 nan 8.230 nan 0.000 0.432 81 A N -0.585 122.262 122.820 0.046 0.000 1.855 81 A HA -0.085 4.235 4.320 0.001 0.000 0.215 81 A C 2.468 180.171 177.584 0.198 0.000 1.191 81 A CA 1.754 53.778 52.037 -0.021 0.000 0.613 81 A CB -1.309 17.430 19.000 -0.435 0.000 0.829 81 A HN 0.558 nan 8.150 nan 0.000 0.442 82 A N 0.101 123.092 122.820 0.285 0.000 1.869 82 A HA -0.283 4.038 4.320 0.001 0.000 0.218 82 A C 2.265 180.037 177.584 0.315 0.000 1.203 82 A CA 2.043 54.285 52.037 0.340 0.000 0.638 82 A CB -0.660 18.508 19.000 0.279 0.000 0.831 82 A HN 0.581 nan 8.150 nan 0.000 0.450 83 R N -0.793 119.854 120.500 0.244 0.000 2.080 83 R HA -0.113 4.227 4.340 0.001 0.000 0.236 83 R C 2.229 178.759 176.300 0.383 0.000 1.137 83 R CA 1.623 57.851 56.100 0.213 0.000 0.943 83 R CB -0.745 29.484 30.300 -0.119 0.000 0.846 83 R HN 0.537 nan 8.270 nan 0.000 0.431 84 L N 0.432 121.833 121.223 0.296 0.000 2.021 84 L HA -0.262 4.078 4.340 0.001 0.000 0.215 84 L C 2.691 179.823 176.870 0.437 0.000 1.074 84 L CA 1.647 56.700 54.840 0.354 0.000 0.760 84 L CB -0.627 41.564 42.059 0.219 0.000 0.889 84 L HN 0.309 nan 8.230 nan 0.000 0.433 85 A N -0.681 122.366 122.820 0.378 0.000 2.067 85 A HA -0.131 4.189 4.320 0.001 0.000 0.219 85 A C 2.152 179.946 177.584 0.351 0.000 1.158 85 A CA 1.138 53.400 52.037 0.375 0.000 0.661 85 A CB -0.429 18.793 19.000 0.370 0.000 0.801 85 A HN 0.309 nan 8.150 nan 0.000 0.452 86 I N -1.748 119.057 120.570 0.392 0.000 2.406 86 I HA -0.102 4.069 4.170 0.001 0.000 0.249 86 I C 2.181 178.545 176.117 0.412 0.000 1.122 86 I CA 0.802 62.317 61.300 0.358 0.000 1.431 86 I CB -1.255 37.007 38.000 0.436 0.000 1.087 86 I HN 0.475 nan 8.210 nan 0.000 0.424 87 F N 1.559 121.771 119.950 0.437 0.000 2.102 87 F HA -0.306 4.222 4.527 0.001 0.000 0.298 87 F C 2.862 178.775 175.800 0.187 0.000 1.105 87 F CA 2.268 60.514 58.000 0.410 0.000 1.239 87 F CB -0.423 38.794 39.000 0.362 0.000 0.991 87 F HN 0.208 nan 8.300 nan 0.000 0.474 88 H N 0.239 119.446 119.070 0.229 0.000 2.293 88 H HA -0.154 4.402 4.556 0.001 0.000 0.300 88 H C 2.131 177.394 175.328 -0.108 0.000 1.082 88 H CA 2.503 58.523 56.048 -0.046 0.000 1.308 88 H CB -0.697 29.100 29.762 0.059 0.000 1.375 88 H HN 0.351 nan 8.280 nan 0.000 0.495 89 L N -0.163 120.939 121.223 -0.202 0.000 2.129 89 L HA -0.230 4.111 4.340 0.001 0.000 0.212 89 L C 2.785 179.462 176.870 -0.322 0.000 1.087 89 L CA 1.100 55.772 54.840 -0.280 0.000 0.757 89 L CB -0.364 41.625 42.059 -0.117 0.000 0.896 89 L HN 0.291 nan 8.230 nan 0.000 0.434 90 R N 0.415 120.774 120.500 -0.235 0.000 2.088 90 R HA -0.143 4.197 4.340 0.001 0.000 0.232 90 R C 2.217 178.333 176.300 -0.307 0.000 1.136 90 R CA 1.422 57.374 56.100 -0.248 0.000 0.926 90 R CB -0.633 29.560 30.300 -0.178 0.000 0.837 90 R HN 0.375 nan 8.270 nan 0.000 0.429 91 K N 0.674 120.875 120.400 -0.332 0.000 2.032 91 K HA -0.178 4.142 4.320 0.001 0.000 0.209 91 K C 1.946 178.371 176.600 -0.291 0.000 1.048 91 K CA 1.241 57.352 56.287 -0.294 0.000 0.927 91 K CB -0.220 32.076 32.500 -0.339 0.000 0.712 91 K HN -0.108 nan 8.250 nan 0.000 0.441 92 K N 0.548 120.708 120.400 -0.400 0.000 2.442 92 K HA -0.162 4.158 4.320 0.001 0.000 0.200 92 K C 1.229 177.636 176.600 -0.320 0.000 1.045 92 K CA 1.356 57.418 56.287 -0.375 0.000 0.937 92 K CB -0.018 32.162 32.500 -0.533 0.000 0.757 92 K HN 0.256 nan 8.250 nan 0.000 0.474 93 A N -1.923 120.659 122.820 -0.396 0.000 1.933 93 A HA 0.176 4.496 4.320 0.001 0.000 0.198 93 A C 1.040 178.375 177.584 -0.416 0.000 1.617 93 A CA -0.075 51.667 52.037 -0.490 0.000 1.039 93 A CB -0.051 18.453 19.000 -0.825 0.000 1.066 93 A HN 0.222 nan 8.150 nan 0.000 0.484 94 Y N -0.343 119.889 120.300 -0.113 0.000 2.458 94 Y HA 0.399 4.949 4.550 0.001 0.000 0.254 94 Y C 1.949 177.795 175.900 -0.090 0.000 1.120 94 Y CA -0.057 57.983 58.100 -0.101 0.000 1.282 94 Y CB 0.242 38.604 38.460 -0.164 0.000 1.109 94 Y HN 0.492 nan 8.280 nan 0.000 0.526 95 G N 0.372 109.171 108.800 -0.002 0.000 2.234 95 G HA2 -0.271 3.690 3.960 0.001 0.000 0.260 95 G HA3 -0.271 3.690 3.960 0.001 0.000 0.260 95 G C 0.190 175.066 174.900 -0.040 0.000 0.987 95 G CA 0.673 45.758 45.100 -0.025 0.000 0.625 95 G HN 0.512 nan 8.290 nan 0.000 0.532 96 Q N -2.903 116.880 119.800 -0.027 0.000 2.832 96 Q HA 0.734 5.074 4.340 0.001 0.000 0.331 96 Q C 0.539 176.506 176.000 -0.056 0.000 0.833 96 Q CA -0.492 55.278 55.803 -0.055 0.000 0.794 96 Q CB -0.104 28.620 28.738 -0.023 0.000 1.387 96 Q HN 0.408 nan 8.270 nan 0.000 0.508 97 F N 0.636 120.438 119.950 -0.246 0.000 2.149 97 F HA 0.203 4.731 4.527 0.001 0.000 0.294 97 F C 0.545 176.230 175.800 -0.191 0.000 1.095 97 F CA 1.120 58.956 58.000 -0.272 0.000 1.276 97 F CB 0.430 39.259 39.000 -0.285 0.000 1.023 97 F HN 0.519 nan 8.300 nan 0.000 0.480 98 E N 2.757 122.869 120.200 -0.148 0.000 2.166 98 E HA 0.129 4.479 4.350 0.001 0.000 0.279 98 E C -2.230 174.120 176.600 -0.416 0.000 1.095 98 E CA -1.843 54.397 56.400 -0.266 0.000 0.888 98 E CB 0.494 30.140 29.700 -0.090 0.000 1.041 98 E HN 0.111 nan 8.360 nan 0.000 0.414 99 P HA 0.096 nan 4.420 nan 0.000 0.272 99 P C -2.340 174.610 177.300 -0.582 0.000 1.230 99 P CA -0.971 61.462 63.100 -1.112 0.000 0.788 99 P CB -0.095 30.699 31.700 -1.510 0.000 0.949 100 P HA 0.185 nan 4.420 nan 0.000 0.277 100 P C -0.894 176.441 177.300 0.059 0.000 1.271 100 P CA -0.461 62.564 63.100 -0.125 0.000 0.795 100 P CB 0.305 31.978 31.700 -0.044 0.000 1.101 101 A N 0.876 123.725 122.820 0.049 0.000 2.454 101 A HA 0.070 4.390 4.320 0.001 0.000 0.260 101 A C 1.396 178.994 177.584 0.024 0.000 1.106 101 A CA -0.395 51.687 52.037 0.075 0.000 0.780 101 A CB -0.728 18.309 19.000 0.061 0.000 1.044 101 A HN 0.634 nan 8.150 nan 0.000 0.498 102 L N 3.478 124.692 121.223 -0.016 0.000 2.054 102 L HA -0.277 4.063 4.340 0.001 0.000 0.220 102 L C 1.962 178.695 176.870 -0.229 0.000 1.081 102 L CA 2.915 57.610 54.840 -0.241 0.000 0.780 102 L CB -1.149 40.846 42.059 -0.108 0.000 0.893 102 L HN 0.890 nan 8.230 nan 0.000 0.438 103 Y N 0.369 120.543 120.300 -0.211 0.000 2.114 103 Y HA -0.240 4.310 4.550 0.001 0.000 0.284 103 Y C 2.400 178.128 175.900 -0.286 0.000 1.143 103 Y CA 2.113 60.017 58.100 -0.328 0.000 1.135 103 Y CB -0.487 37.893 38.460 -0.132 0.000 0.980 103 Y HN 0.356 nan 8.280 nan 0.000 0.499 104 D N -1.050 119.253 120.400 -0.161 0.000 2.104 104 D HA -0.260 4.380 4.640 0.001 0.000 0.194 104 D C 1.998 178.176 176.300 -0.204 0.000 0.994 104 D CA 2.037 55.929 54.000 -0.179 0.000 0.830 104 D CB -0.666 40.120 40.800 -0.024 0.000 0.959 104 D HN 0.519 nan 8.370 nan 0.000 0.452 105 H N 1.263 120.184 119.070 -0.247 0.000 2.265 105 H HA -0.116 4.440 4.556 0.001 0.000 0.295 105 H C 2.098 177.256 175.328 -0.283 0.000 1.084 105 H CA 1.843 57.759 56.048 -0.220 0.000 1.261 105 H CB -0.501 29.107 29.762 -0.257 0.000 1.360 105 H HN -0.105 nan 8.280 nan 0.000 0.487 106 V N -0.125 119.480 119.914 -0.514 0.000 2.252 106 V HA -0.284 3.837 4.120 0.001 0.000 0.249 106 V C 2.775 178.586 176.094 -0.473 0.000 1.056 106 V CA 1.769 63.776 62.300 -0.488 0.000 1.022 106 V CB -0.811 30.590 31.823 -0.703 0.000 0.641 106 V HN 0.368 nan 8.190 nan 0.000 0.445 107 V N -0.531 119.020 119.914 -0.604 0.000 2.332 107 V HA -0.271 3.849 4.120 0.001 0.000 0.248 107 V C 2.560 178.455 176.094 -0.333 0.000 1.055 107 V CA 2.011 64.017 62.300 -0.491 0.000 1.038 107 V CB -0.689 30.781 31.823 -0.587 0.000 0.651 107 V HN 0.479 nan 8.190 nan 0.000 0.450 108 K N -0.468 119.741 120.400 -0.317 0.000 2.009 108 K HA -0.184 4.136 4.320 0.001 0.000 0.210 108 K C 2.198 178.601 176.600 -0.329 0.000 1.049 108 K CA 1.740 57.872 56.287 -0.259 0.000 0.929 108 K CB -0.291 32.097 32.500 -0.186 0.000 0.714 108 K HN 0.309 nan 8.250 nan 0.000 0.440 109 M N 0.629 119.944 119.600 -0.474 0.000 2.117 109 M HA -0.132 4.348 4.480 0.001 0.000 0.262 109 M C 2.364 178.442 176.300 -0.369 0.000 1.065 109 M CA 1.067 55.996 55.300 -0.617 0.000 1.114 109 M CB -1.042 30.759 32.600 -1.331 0.000 1.361 109 M HN -0.091 nan 8.290 nan 0.000 0.408 110 V N 0.495 120.268 119.914 -0.235 0.000 2.392 110 V HA -0.261 3.860 4.120 0.001 0.000 0.249 110 V C 2.403 178.422 176.094 -0.124 0.000 1.059 110 V CA 2.143 64.373 62.300 -0.115 0.000 1.051 110 V CB -0.973 30.792 31.823 -0.098 0.000 0.658 110 V HN 0.538 nan 8.190 nan 0.000 0.455 111 E N -0.062 120.042 120.200 -0.159 0.000 2.072 111 E HA -0.190 4.160 4.350 0.001 0.000 0.190 111 E C 2.176 178.694 176.600 -0.136 0.000 0.982 111 E CA 1.116 57.438 56.400 -0.129 0.000 0.803 111 E CB -0.145 29.476 29.700 -0.132 0.000 0.755 111 E HN 0.545 nan 8.360 nan 0.000 0.453 112 M N -0.299 119.186 119.600 -0.192 0.000 2.629 112 M HA -0.029 4.451 4.480 0.001 0.000 0.257 112 M C 1.239 177.437 176.300 -0.171 0.000 1.071 112 M CA 1.140 56.311 55.300 -0.214 0.000 1.077 112 M CB 0.098 32.492 32.600 -0.344 0.000 1.423 112 M HN 0.399 nan 8.290 nan 0.000 0.508 113 G N 0.355 109.075 108.800 -0.132 0.000 2.179 113 G HA2 -0.257 3.703 3.960 0.001 0.000 0.257 113 G HA3 -0.257 3.703 3.960 0.001 0.000 0.257 113 G C 0.935 175.803 174.900 -0.053 0.000 1.010 113 G CA 0.349 45.407 45.100 -0.070 0.000 0.736 113 G HN 0.323 nan 8.290 nan 0.000 0.513 114 K N -1.263 119.070 120.400 -0.111 0.000 2.334 114 K HA 0.211 4.532 4.320 0.001 0.000 0.195 114 K C 0.433 177.098 176.600 0.108 0.000 1.045 114 K CA 0.385 56.634 56.287 -0.063 0.000 1.004 114 K CB 0.208 32.587 32.500 -0.200 0.000 0.837 114 K HN 0.415 nan 8.250 nan 0.000 0.510 115 Y N 1.367 121.622 120.300 -0.076 0.000 2.387 115 Y HA 0.183 4.733 4.550 0.001 0.000 0.330 115 Y C 0.443 176.327 175.900 -0.028 0.000 1.133 115 Y CA -2.281 55.784 58.100 -0.059 0.000 1.152 115 Y CB 0.601 38.976 38.460 -0.141 0.000 1.215 115 Y HN -0.057 nan 8.280 nan 0.000 0.466 116 D N 2.135 122.635 120.400 0.165 0.000 2.383 116 D HA -0.090 4.551 4.640 0.001 0.000 0.252 116 D C 1.111 177.464 176.300 0.089 0.000 1.166 116 D CA 0.301 54.386 54.000 0.142 0.000 0.879 116 D CB 0.749 41.697 40.800 0.247 0.000 1.164 116 D HN 0.581 nan 8.370 nan 0.000 0.462 117 N N 3.167 121.928 118.700 0.101 0.000 2.091 117 N HA -0.320 4.420 4.740 0.001 0.000 0.193 117 N C 1.704 177.287 175.510 0.121 0.000 1.021 117 N CA 1.847 54.949 53.050 0.086 0.000 0.862 117 N CB -0.348 38.188 38.487 0.080 0.000 1.018 117 N HN 0.725 nan 8.380 nan 0.000 0.429 118 H N 0.123 119.264 119.070 0.119 0.000 2.400 118 H HA -0.108 4.448 4.556 0.001 0.000 0.295 118 H C 2.330 177.781 175.328 0.204 0.000 1.118 118 H CA 1.758 57.894 56.048 0.146 0.000 1.256 118 H CB -0.765 29.092 29.762 0.157 0.000 1.365 118 H HN 0.216 nan 8.280 nan 0.000 0.502 119 L N -0.287 120.797 121.223 -0.233 0.000 2.043 119 L HA -0.208 4.132 4.340 0.001 0.000 0.212 119 L C 2.647 179.724 176.870 0.345 0.000 1.075 119 L CA 1.529 56.350 54.840 -0.032 0.000 0.752 119 L CB -0.346 41.669 42.059 -0.073 0.000 0.891 119 L HN 0.391 nan 8.230 nan 0.000 0.432 120 L N -0.909 120.453 121.223 0.232 0.000 2.044 120 L HA -0.172 4.168 4.340 0.001 0.000 0.205 120 L C 2.532 179.566 176.870 0.273 0.000 1.075 120 L CA 1.099 56.118 54.840 0.300 0.000 0.747 120 L CB -0.409 41.732 42.059 0.137 0.000 0.903 120 L HN 0.258 nan 8.230 nan 0.000 0.435 121 E N 0.135 120.449 120.200 0.191 0.000 2.085 121 E HA -0.244 4.106 4.350 0.001 0.000 0.194 121 E C 1.394 178.064 176.600 0.116 0.000 0.994 121 E CA 1.512 57.999 56.400 0.144 0.000 0.801 121 E CB -0.188 29.589 29.700 0.128 0.000 0.743 121 E HN 0.492 nan 8.360 nan 0.000 0.453 122 D N -0.951 119.532 120.400 0.138 0.000 2.323 122 D HA 0.002 4.643 4.640 0.001 0.000 0.209 122 D C -0.306 175.811 176.300 -0.304 0.000 0.973 122 D CA 0.841 54.822 54.000 -0.031 0.000 0.874 122 D CB 0.137 40.978 40.800 0.069 0.000 0.930 122 D HN 0.153 nan 8.370 nan 0.000 0.521 123 Y N -0.471 119.818 120.300 -0.017 0.000 2.442 123 Y HA 0.293 4.843 4.550 0.001 0.000 0.344 123 Y C 0.673 176.544 175.900 -0.048 0.000 0.976 123 Y CA -1.247 56.720 58.100 -0.221 0.000 1.040 123 Y CB 1.713 39.680 38.460 -0.822 0.000 1.228 123 Y HN -0.310 nan 8.280 nan 0.000 0.451 124 T N -2.134 112.455 114.554 0.058 0.000 2.874 124 T HA 0.193 4.544 4.350 0.001 0.000 0.281 124 T C 1.028 175.817 174.700 0.148 0.000 0.994 124 T CA -0.524 61.637 62.100 0.102 0.000 1.015 124 T CB 1.390 70.269 68.868 0.017 0.000 1.028 124 T HN 0.848 nan 8.240 nan 0.000 0.523 125 E N 0.149 120.373 120.200 0.041 0.000 2.097 125 E HA -0.233 4.118 4.350 0.001 0.000 0.196 125 E C 1.806 178.334 176.600 -0.120 0.000 1.000 125 E CA 1.615 57.868 56.400 -0.245 0.000 0.804 125 E CB -0.018 29.334 29.700 -0.579 0.000 0.740 125 E HN 0.747 nan 8.360 nan 0.000 0.454 126 E N 0.685 120.833 120.200 -0.087 0.000 2.031 126 E HA -0.189 4.161 4.350 0.001 0.000 0.193 126 E C 1.863 178.428 176.600 -0.060 0.000 0.994 126 E CA 1.328 57.688 56.400 -0.068 0.000 0.800 126 E CB -0.135 29.531 29.700 -0.057 0.000 0.752 126 E HN 0.302 nan 8.360 nan 0.000 0.447 127 E N -0.522 119.642 120.200 -0.060 0.000 2.086 127 E HA -0.233 4.118 4.350 0.001 0.000 0.200 127 E C 1.972 178.455 176.600 -0.195 0.000 1.012 127 E CA 1.353 57.695 56.400 -0.097 0.000 0.812 127 E CB -0.355 29.321 29.700 -0.040 0.000 0.743 127 E HN 0.252 nan 8.360 nan 0.000 0.453 128 F N 1.304 121.247 119.950 -0.013 0.000 2.134 128 F HA -0.145 4.382 4.527 0.001 0.000 0.299 128 F C 2.341 178.073 175.800 -0.112 0.000 1.097 128 F CA 0.938 58.903 58.000 -0.058 0.000 1.264 128 F CB -0.260 38.796 39.000 0.093 0.000 1.001 128 F HN -0.164 nan 8.300 nan 0.000 0.479 129 K N 0.222 120.655 120.400 0.054 0.000 2.160 129 K HA -0.230 4.090 4.320 0.001 0.000 0.206 129 K C 2.055 178.573 176.600 -0.137 0.000 1.047 129 K CA 1.293 57.559 56.287 -0.034 0.000 0.930 129 K CB -0.494 31.972 32.500 -0.058 0.000 0.720 129 K HN 0.442 nan 8.250 nan 0.000 0.450 130 Q N -0.243 119.431 119.800 -0.211 0.000 2.123 130 Q HA 0.086 4.426 4.340 0.001 0.000 0.196 130 Q C 2.164 177.666 176.000 -0.831 0.000 0.958 130 Q CA 0.497 56.068 55.803 -0.386 0.000 0.841 130 Q CB 0.190 28.761 28.738 -0.279 0.000 0.915 130 Q HN 0.245 nan 8.270 nan 0.000 0.455 131 M N 0.414 119.612 119.600 -0.671 0.000 2.159 131 M HA -0.178 4.302 4.480 0.001 0.000 0.263 131 M C 1.541 177.542 176.300 -0.499 0.000 1.063 131 M CA 1.250 56.107 55.300 -0.738 0.000 1.110 131 M CB -0.206 32.219 32.600 -0.291 0.000 1.374 131 M HN 0.094 nan 8.290 nan 0.000 0.411 132 D N 0.101 120.342 120.400 -0.265 0.000 2.265 132 D HA -0.146 4.494 4.640 0.001 0.000 0.208 132 D C 1.895 178.104 176.300 -0.151 0.000 0.977 132 D CA 1.781 55.708 54.000 -0.122 0.000 0.871 132 D CB 0.040 40.827 40.800 -0.023 0.000 0.925 132 D HN 0.443 nan 8.370 nan 0.000 0.485 133 T N -2.910 111.479 114.554 -0.275 0.000 3.043 133 T HA -0.044 4.307 4.350 0.001 0.000 0.263 133 T C 1.730 176.405 174.700 -0.042 0.000 1.094 133 T CA 0.202 62.205 62.100 -0.161 0.000 1.127 133 T CB -0.502 68.271 68.868 -0.158 0.000 0.905 133 T HN -0.044 nan 8.240 nan 0.000 0.490 134 F N 1.609 121.498 119.950 -0.103 0.000 2.259 134 F HA 0.433 4.960 4.527 0.000 0.000 0.298 134 F C 1.235 176.922 175.800 -0.189 0.000 1.088 134 F CA -1.578 56.344 58.000 -0.129 0.000 1.358 134 F CB -0.948 37.940 39.000 -0.187 0.000 1.040 134 F HN 0.167 nan 8.300 nan 0.000 0.505 135 I N 1.470 121.947 120.570 -0.155 0.000 2.683 135 I HA -0.072 4.098 4.170 0.001 0.000 0.286 135 I C -0.054 176.019 176.117 -0.073 0.000 1.175 135 I CA 0.360 61.519 61.300 -0.235 0.000 1.429 135 I CB 0.170 37.990 38.000 -0.299 0.000 1.371 135 I HN -0.092 nan 8.210 nan 0.000 0.569 136 D N 5.671 126.105 120.400 0.056 0.000 2.453 136 D HA 0.184 4.825 4.640 0.001 0.000 0.238 136 D C 0.794 177.098 176.300 0.006 0.000 1.088 136 D CA -0.293 53.728 54.000 0.035 0.000 0.854 136 D CB 0.667 41.522 40.800 0.091 0.000 1.076 136 D HN 0.382 nan 8.370 nan 0.000 0.533 137 H N 2.099 121.219 119.070 0.083 0.000 2.524 137 H HA -0.015 4.541 4.556 0.001 0.000 0.282 137 H C 0.396 175.780 175.328 0.094 0.000 1.016 137 H CA 0.624 56.695 56.048 0.037 0.000 1.270 137 H CB 0.499 30.207 29.762 -0.090 0.000 1.394 137 H HN 0.470 nan 8.280 nan 0.000 0.568 138 D N 0.274 120.804 120.400 0.217 0.000 2.348 138 D HA -0.044 4.596 4.640 0.001 0.000 0.216 138 D C 1.992 178.380 176.300 0.146 0.000 0.970 138 D CA 0.238 54.366 54.000 0.213 0.000 0.889 138 D CB 0.005 40.913 40.800 0.180 0.000 0.912 138 D HN 0.315 nan 8.370 nan 0.000 0.524 139 R N 0.608 121.165 120.500 0.095 0.000 2.241 139 R HA -0.079 4.261 4.340 0.001 0.000 0.224 139 R C 0.801 177.109 176.300 0.013 0.000 1.101 139 R CA 0.701 56.797 56.100 -0.007 0.000 0.995 139 R CB -0.097 30.149 30.300 -0.090 0.000 0.870 139 R HN 0.206 nan 8.270 nan 0.000 0.463 140 D N 0.665 121.194 120.400 0.214 0.000 2.263 140 D HA -0.131 4.509 4.640 0.001 0.000 0.208 140 D C 1.247 177.780 176.300 0.388 0.000 0.971 140 D CA 1.048 55.303 54.000 0.426 0.000 0.867 140 D CB 0.026 41.103 40.800 0.463 0.000 0.929 140 D HN 0.066 nan 8.370 nan 0.000 0.492 141 M N -0.040 119.706 119.600 0.243 0.000 2.659 141 M HA -0.009 4.472 4.480 0.001 0.000 0.243 141 M C 1.569 177.938 176.300 0.115 0.000 1.111 141 M CA 0.637 56.042 55.300 0.175 0.000 1.070 141 M CB -0.504 32.151 32.600 0.092 0.000 1.525 141 M HN 0.013 nan 8.290 nan 0.000 0.517 142 T N -3.777 110.822 114.554 0.075 0.000 3.001 142 T HA 0.230 4.580 4.350 0.001 0.000 0.251 142 T C 0.540 175.385 174.700 0.242 0.000 1.040 142 T CA -0.339 61.798 62.100 0.061 0.000 0.985 142 T CB -0.232 68.636 68.868 -0.001 0.000 1.011 142 T HN -0.001 nan 8.240 nan 0.000 0.509 143 F N 3.927 124.127 119.950 0.417 0.000 2.535 143 F HA 0.437 4.964 4.527 0.001 0.000 0.332 143 F C 1.417 177.400 175.800 0.305 0.000 1.208 143 F CA -0.516 57.674 58.000 0.316 0.000 1.330 143 F CB 0.410 39.542 39.000 0.220 0.000 1.167 143 F HN 0.213 nan 8.300 nan 0.000 0.597 144 S N 0.730 116.566 115.700 0.226 0.000 2.747 144 S HA 0.274 4.745 4.470 0.001 0.000 0.300 144 S C 0.499 175.077 174.600 -0.037 0.000 1.121 144 S CA -0.653 57.381 58.200 -0.276 0.000 0.995 144 S CB 0.731 63.630 63.200 -0.502 0.000 1.113 144 S HN 0.628 nan 8.310 nan 0.000 0.547 145 Y N 1.322 121.511 120.300 -0.185 0.000 2.181 145 Y HA -0.037 4.513 4.550 0.001 0.000 0.288 145 Y C 2.542 178.398 175.900 -0.073 0.000 1.146 145 Y CA 1.941 59.994 58.100 -0.079 0.000 1.164 145 Y CB -1.108 37.311 38.460 -0.068 0.000 0.982 145 Y HN 0.825 nan 8.280 nan 0.000 0.515 146 A N 0.617 123.334 122.820 -0.172 0.000 1.917 146 A HA -0.196 4.124 4.320 0.001 0.000 0.219 146 A C 2.466 179.910 177.584 -0.234 0.000 1.182 146 A CA 2.208 54.113 52.037 -0.220 0.000 0.633 146 A CB -1.562 17.374 19.000 -0.108 0.000 0.819 146 A HN 0.632 nan 8.150 nan 0.000 0.448 147 A N -0.508 122.215 122.820 -0.162 0.000 1.851 147 A HA -0.054 4.266 4.320 0.001 0.000 0.216 147 A C 2.239 179.642 177.584 -0.301 0.000 1.195 147 A CA 2.000 53.943 52.037 -0.158 0.000 0.622 147 A CB -1.194 17.834 19.000 0.046 0.000 0.831 147 A HN 0.494 nan 8.150 nan 0.000 0.444 148 V N 0.080 119.821 119.914 -0.288 0.000 2.282 148 V HA -0.302 3.818 4.120 0.001 0.000 0.249 148 V C 2.562 178.462 176.094 -0.323 0.000 1.057 148 V CA 2.581 64.688 62.300 -0.322 0.000 1.032 148 V CB -0.746 30.985 31.823 -0.154 0.000 0.645 148 V HN 0.543 nan 8.190 nan 0.000 0.447 149 K N -0.418 119.741 120.400 -0.402 0.000 2.063 149 K HA -0.191 4.129 4.320 0.001 0.000 0.208 149 K C 2.321 178.748 176.600 -0.289 0.000 1.048 149 K CA 1.356 57.418 56.287 -0.374 0.000 0.928 149 K CB -0.374 31.832 32.500 -0.490 0.000 0.713 149 K HN 0.334 nan 8.250 nan 0.000 0.442 150 Q N 0.326 119.936 119.800 -0.316 0.000 2.030 150 Q HA -0.126 4.215 4.340 0.001 0.000 0.204 150 Q C 2.189 177.918 176.000 -0.452 0.000 0.986 150 Q CA 1.624 57.209 55.803 -0.364 0.000 0.843 150 Q CB -0.506 27.990 28.738 -0.403 0.000 0.904 150 Q HN 0.331 nan 8.270 nan 0.000 0.420 151 L N 0.684 121.637 121.223 -0.451 0.000 2.043 151 L HA -0.238 4.102 4.340 0.001 0.000 0.212 151 L C 2.507 179.266 176.870 -0.184 0.000 1.075 151 L CA 1.883 56.523 54.840 -0.333 0.000 0.752 151 L CB -0.584 41.270 42.059 -0.341 0.000 0.891 151 L HN 0.347 nan 8.230 nan 0.000 0.432 152 E N 0.235 120.321 120.200 -0.190 0.000 2.072 152 E HA -0.160 4.191 4.350 0.001 0.000 0.191 152 E C 2.172 178.717 176.600 -0.091 0.000 0.985 152 E CA 1.190 57.515 56.400 -0.126 0.000 0.801 152 E CB -0.108 29.520 29.700 -0.119 0.000 0.750 152 E HN 0.450 nan 8.360 nan 0.000 0.452 153 G N 0.261 108.999 108.800 -0.103 0.000 2.539 153 G HA2 -0.067 3.893 3.960 0.001 0.000 0.215 153 G HA3 -0.067 3.893 3.960 0.001 0.000 0.215 153 G C 1.552 176.440 174.900 -0.019 0.000 1.141 153 G CA 0.084 45.147 45.100 -0.061 0.000 0.806 153 G HN 0.030 nan 8.290 nan 0.000 0.533 154 K N -0.683 119.701 120.400 -0.026 0.000 2.273 154 K HA 0.202 4.523 4.320 0.001 0.000 0.206 154 K C 1.908 178.716 176.600 0.347 0.000 1.072 154 K CA 0.334 56.694 56.287 0.122 0.000 0.953 154 K CB -0.072 32.465 32.500 0.061 0.000 1.043 154 K HN 0.228 nan 8.250 nan 0.000 0.477 155 Y N 1.408 121.702 120.300 -0.009 0.000 2.353 155 Y HA 0.238 4.788 4.550 0.001 0.000 0.294 155 Y C 1.311 177.227 175.900 0.027 0.000 1.135 155 Y CA -0.464 57.645 58.100 0.015 0.000 1.176 155 Y CB -0.477 37.978 38.460 -0.007 0.000 1.124 155 Y HN -0.171 nan 8.280 nan 0.000 0.537 156 L N 1.156 122.478 121.223 0.165 0.000 2.416 156 L HA 0.116 4.457 4.340 0.001 0.000 0.272 156 L C -0.034 176.900 176.870 0.106 0.000 1.161 156 L CA -0.457 54.449 54.840 0.111 0.000 0.845 156 L CB 0.511 42.587 42.059 0.029 0.000 1.119 156 L HN -0.245 nan 8.230 nan 0.000 0.464 157 V N 4.248 124.262 119.914 0.166 0.000 2.599 157 V HA 0.052 4.173 4.120 0.001 0.000 0.300 157 V C 0.360 176.515 176.094 0.101 0.000 1.034 157 V CA 0.132 62.541 62.300 0.182 0.000 1.115 157 V CB 0.582 32.574 31.823 0.280 0.000 0.934 157 V HN 0.930 nan 8.190 nan 0.000 0.485 158 Q N 3.851 123.671 119.800 0.033 0.000 2.575 158 Q HA 0.361 4.701 4.340 0.001 0.000 0.290 158 Q C -1.053 174.871 176.000 -0.127 0.000 0.963 158 Q CA -0.904 54.760 55.803 -0.232 0.000 0.783 158 Q CB 1.983 30.608 28.738 -0.188 0.000 1.467 158 Q HN 0.626 nan 8.270 nan 0.000 0.402 159 N N 0.505 119.035 118.700 -0.283 0.000 2.444 159 N HA 0.104 4.844 4.740 0.001 0.000 0.271 159 N C 0.530 176.006 175.510 -0.056 0.000 1.069 159 N CA -0.156 52.868 53.050 -0.043 0.000 0.965 159 N CB 0.879 39.386 38.487 0.032 0.000 1.092 159 N HN 0.669 nan 8.380 nan 0.000 0.476 160 R N 1.992 122.487 120.500 -0.008 0.000 2.189 160 R HA -0.041 4.299 4.340 0.001 0.000 0.223 160 R C 1.299 177.593 176.300 -0.010 0.000 1.092 160 R CA 0.808 56.903 56.100 -0.009 0.000 0.989 160 R CB -0.232 30.072 30.300 0.006 0.000 0.876 160 R HN 0.302 nan 8.270 nan 0.000 0.457 161 V N 1.332 121.245 119.914 -0.003 0.000 2.423 161 V HA -0.151 3.969 4.120 0.001 0.000 0.233 161 V C 2.528 178.615 176.094 -0.011 0.000 1.067 161 V CA 1.892 64.191 62.300 -0.002 0.000 1.073 161 V CB -0.535 31.292 31.823 0.007 0.000 0.715 161 V HN 0.445 nan 8.190 nan 0.000 0.485 162 T N -0.696 113.853 114.554 -0.009 0.000 2.778 162 T HA -0.095 4.255 4.350 0.001 0.000 0.269 162 T C 1.682 176.354 174.700 -0.047 0.000 1.050 162 T CA 1.573 63.661 62.100 -0.020 0.000 1.137 162 T CB -0.766 68.097 68.868 -0.009 0.000 0.860 162 T HN 1.274 nan 8.240 nan 0.000 0.468 163 G N 1.273 110.031 108.800 -0.071 0.000 2.162 163 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 163 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 163 G C -0.164 174.639 174.900 -0.162 0.000 0.976 163 G CA 0.223 45.266 45.100 -0.095 0.000 0.655 163 G HN 0.687 nan 8.290 nan 0.000 0.533 164 E N -0.324 119.745 120.200 -0.218 0.000 2.465 164 E HA 0.316 4.666 4.350 0.001 0.000 0.260 164 E C 0.363 176.580 176.600 -0.638 0.000 0.980 164 E CA 0.139 56.322 56.400 -0.361 0.000 0.927 164 E CB 0.727 30.220 29.700 -0.345 0.000 0.934 164 E HN 0.418 nan 8.360 nan 0.000 0.459 165 I N 3.270 123.524 120.570 -0.527 0.000 2.359 165 I HA 0.033 4.203 4.170 0.001 0.000 0.294 165 I C -0.093 175.745 176.117 -0.465 0.000 0.987 165 I CA -0.257 60.744 61.300 -0.498 0.000 1.225 165 I CB 0.686 38.508 38.000 -0.297 0.000 1.366 165 I HN 0.564 nan 8.210 nan 0.000 0.466 166 Y N 3.518 123.759 120.300 -0.098 0.000 2.444 166 Y HA 0.229 4.779 4.550 0.001 0.000 0.249 166 Y C 0.280 176.189 175.900 0.016 0.000 1.134 166 Y CA -0.599 57.457 58.100 -0.074 0.000 1.261 166 Y CB 0.033 38.456 38.460 -0.061 0.000 1.143 166 Y HN 0.522 nan 8.280 nan 0.000 0.523 167 E N -1.450 118.816 120.200 0.110 0.000 2.423 167 E HA 0.585 4.936 4.350 0.001 0.000 0.280 167 E C -0.974 175.655 176.600 0.048 0.000 1.030 167 E CA -1.100 55.440 56.400 0.234 0.000 0.812 167 E CB 1.467 31.497 29.700 0.549 0.000 1.313 167 E HN -0.079 nan 8.360 nan 0.000 0.456 168 S N -0.002 115.765 115.700 0.111 0.000 2.722 168 S HA 0.665 5.135 4.470 0.001 0.000 0.292 168 S C 1.076 175.723 174.600 0.078 0.000 1.135 168 S CA -0.341 57.871 58.200 0.021 0.000 1.003 168 S CB 1.480 64.675 63.200 -0.009 0.000 1.067 168 S HN 0.824 nan 8.310 nan 0.000 0.546 169 A N 0.723 123.577 122.820 0.056 0.000 1.908 169 A HA -0.127 4.194 4.320 0.001 0.000 0.218 169 A C 2.157 179.804 177.584 0.105 0.000 1.181 169 A CA 1.432 53.488 52.037 0.031 0.000 0.627 169 A CB -0.998 18.049 19.000 0.078 0.000 0.818 169 A HN 0.747 nan 8.150 nan 0.000 0.445 170 Q N -1.256 118.694 119.800 0.251 0.000 2.291 170 Q HA -0.071 4.269 4.340 0.001 0.000 0.205 170 Q C 1.663 177.934 176.000 0.452 0.000 0.970 170 Q CA 0.892 56.924 55.803 0.381 0.000 0.876 170 Q CB -0.462 28.416 28.738 0.233 0.000 0.935 170 Q HN 0.718 nan 8.270 nan 0.000 0.455 171 F N 0.295 120.414 119.950 0.282 0.000 2.234 171 F HA -0.036 4.492 4.527 0.001 0.000 0.296 171 F C 2.192 178.144 175.800 0.253 0.000 1.089 171 F CA -0.044 58.121 58.000 0.275 0.000 1.343 171 F CB -1.153 38.054 39.000 0.344 0.000 1.040 171 F HN 0.061 nan 8.300 nan 0.000 0.498 172 L N -1.002 120.454 121.223 0.388 0.000 2.013 172 L HA -0.314 4.026 4.340 0.001 0.000 0.212 172 L C 2.471 179.508 176.870 0.279 0.000 1.073 172 L CA 1.774 56.755 54.840 0.234 0.000 0.753 172 L CB -0.639 41.458 42.059 0.063 0.000 0.890 172 L HN 0.006 nan 8.230 nan 0.000 0.432 173 Y N -0.297 120.217 120.300 0.355 0.000 2.114 173 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 173 Y C 2.416 178.559 175.900 0.406 0.000 1.143 173 Y CA 1.686 60.007 58.100 0.368 0.000 1.135 173 Y CB -0.757 37.930 38.460 0.379 0.000 0.980 173 Y HN 0.219 nan 8.280 nan 0.000 0.499 174 I N -0.344 120.570 120.570 0.573 0.000 2.286 174 I HA -0.267 3.904 4.170 0.001 0.000 0.248 174 I C 2.001 178.227 176.117 0.181 0.000 1.115 174 I CA 1.435 62.923 61.300 0.314 0.000 1.392 174 I CB -0.398 37.645 38.000 0.072 0.000 1.065 174 I HN 0.135 nan 8.210 nan 0.000 0.418 175 L N -1.378 119.930 121.223 0.141 0.000 2.240 175 L HA -0.103 4.238 4.340 0.001 0.000 0.211 175 L C 2.421 179.306 176.870 0.026 0.000 1.106 175 L CA 0.372 55.206 54.840 -0.010 0.000 0.793 175 L CB -0.555 41.402 42.059 -0.170 0.000 0.927 175 L HN 0.064 nan 8.230 nan 0.000 0.446 176 V N 0.405 120.403 119.914 0.140 0.000 2.295 176 V HA -0.310 3.811 4.120 0.001 0.000 0.246 176 V C 2.803 178.968 176.094 0.117 0.000 1.049 176 V CA 1.959 64.344 62.300 0.141 0.000 1.024 176 V CB -0.867 31.111 31.823 0.258 0.000 0.648 176 V HN 0.478 nan 8.190 nan 0.000 0.447 177 A N 0.112 123.090 122.820 0.262 0.000 1.865 177 A HA -0.168 4.152 4.320 0.001 0.000 0.217 177 A C 2.466 180.128 177.584 0.130 0.000 1.191 177 A CA 2.341 54.531 52.037 0.254 0.000 0.623 177 A CB -1.068 18.206 19.000 0.456 0.000 0.826 177 A HN 0.608 nan 8.150 nan 0.000 0.444 178 A N -1.048 121.807 122.820 0.058 0.000 1.948 178 A HA -0.240 4.080 4.320 0.001 0.000 0.220 178 A C 2.318 179.943 177.584 0.067 0.000 1.177 178 A CA 1.998 54.006 52.037 -0.048 0.000 0.636 178 A CB -1.302 17.480 19.000 -0.364 0.000 0.815 178 A HN 0.644 nan 8.150 nan 0.000 0.449 179 C N -1.084 118.207 119.300 -0.015 0.000 2.489 179 C HA 0.057 4.518 4.460 0.001 0.000 0.279 179 C C 2.613 177.433 174.990 -0.283 0.000 1.266 179 C CA 0.774 59.764 59.018 -0.048 0.000 1.707 179 C CB -1.464 26.212 27.740 -0.107 0.000 2.059 179 C HN 0.636 nan 8.230 nan 0.000 0.481 180 L N -0.393 120.588 121.223 -0.402 0.000 2.042 180 L HA -0.150 4.191 4.340 0.001 0.000 0.210 180 L C 1.585 178.010 176.870 -0.741 0.000 1.076 180 L CA 1.756 56.186 54.840 -0.683 0.000 0.749 180 L CB -0.571 40.983 42.059 -0.841 0.000 0.893 180 L HN 0.293 nan 8.230 nan 0.000 0.432 181 F N -0.512 119.211 119.950 -0.377 0.000 2.660 181 F HA 0.039 4.567 4.527 0.001 0.000 0.297 181 F C 2.202 177.935 175.800 -0.112 0.000 1.132 181 F CA 0.111 57.864 58.000 -0.413 0.000 1.372 181 F CB -0.292 38.416 39.000 -0.486 0.000 1.003 181 F HN 0.049 nan 8.300 nan 0.000 0.524 182 S N -1.112 114.635 115.700 0.079 0.000 2.481 182 S HA -0.119 4.351 4.470 0.001 0.000 0.231 182 S C 1.236 175.858 174.600 0.037 0.000 0.996 182 S CA 0.790 59.059 58.200 0.115 0.000 0.942 182 S CB -0.498 62.827 63.200 0.208 0.000 0.768 182 S HN 0.524 nan 8.310 nan 0.000 0.520 183 N N -0.104 118.649 118.700 0.088 0.000 2.314 183 N HA 0.166 4.907 4.740 0.001 0.000 0.200 183 N C -0.984 174.616 175.510 0.149 0.000 1.135 183 N CA -0.167 52.931 53.050 0.080 0.000 0.835 183 N CB 0.143 38.651 38.487 0.034 0.000 0.989 183 N HN 0.313 nan 8.380 nan 0.000 0.478 184 Y N 2.222 122.511 120.300 -0.019 0.000 2.336 184 Y HA 0.173 4.723 4.550 0.001 0.000 0.331 184 Y C -1.693 174.213 175.900 0.009 0.000 1.211 184 Y CA -2.517 55.591 58.100 0.013 0.000 1.346 184 Y CB 0.161 38.675 38.460 0.090 0.000 1.271 184 Y HN 0.063 nan 8.280 nan 0.000 0.538 185 P HA 0.061 nan 4.420 nan 0.000 0.269 185 P C 0.327 177.663 177.300 0.061 0.000 1.215 185 P CA -0.090 63.024 63.100 0.023 0.000 0.780 185 P CB 0.704 32.396 31.700 -0.013 0.000 0.898 186 R N 1.187 121.700 120.500 0.022 0.000 2.316 186 R HA -0.142 4.198 4.340 0.001 0.000 0.232 186 R C 1.715 178.038 176.300 0.039 0.000 1.137 186 R CA 1.154 57.267 56.100 0.022 0.000 1.012 186 R CB 0.056 30.353 30.300 -0.006 0.000 0.859 186 R HN 0.604 nan 8.270 nan 0.000 0.474 187 E N -1.102 119.125 120.200 0.044 0.000 2.400 187 E HA -0.049 4.301 4.350 0.001 0.000 0.195 187 E C 1.134 177.768 176.600 0.057 0.000 1.012 187 E CA 1.218 57.641 56.400 0.038 0.000 0.875 187 E CB 0.365 30.076 29.700 0.019 0.000 0.859 187 E HN 0.313 nan 8.360 nan 0.000 0.498 188 T N -2.124 112.505 114.554 0.125 0.000 2.964 188 T HA 0.190 4.541 4.350 0.001 0.000 0.250 188 T C 1.880 176.737 174.700 0.262 0.000 0.982 188 T CA 0.151 62.352 62.100 0.167 0.000 0.959 188 T CB 0.283 69.320 68.868 0.282 0.000 1.141 188 T HN 0.016 nan 8.240 nan 0.000 0.494 189 R N 1.385 122.078 120.500 0.322 0.000 2.248 189 R HA -0.148 4.193 4.340 0.001 0.000 0.236 189 R C 2.073 178.474 176.300 0.169 0.000 1.111 189 R CA 2.461 58.729 56.100 0.281 0.000 0.894 189 R CB -1.022 29.402 30.300 0.208 0.000 0.905 189 R HN 0.434 nan 8.270 nan 0.000 0.426 190 L N 0.701 122.016 121.223 0.154 0.000 2.362 190 L HA -0.158 4.182 4.340 0.001 0.000 0.219 190 L C 2.519 179.394 176.870 0.010 0.000 1.134 190 L CA 1.295 56.241 54.840 0.177 0.000 0.807 190 L CB -0.544 41.685 42.059 0.282 0.000 0.927 190 L HN 0.566 nan 8.230 nan 0.000 0.447 191 Q N -1.644 118.103 119.800 -0.088 0.000 2.269 191 Q HA -0.142 4.199 4.340 0.001 0.000 0.201 191 Q C 1.894 177.681 176.000 -0.354 0.000 0.946 191 Q CA 0.817 56.462 55.803 -0.263 0.000 0.877 191 Q CB -0.349 28.240 28.738 -0.248 0.000 0.963 191 Q HN 0.299 nan 8.270 nan 0.000 0.472 192 Y N 1.354 121.468 120.300 -0.311 0.000 2.114 192 Y HA -0.186 4.364 4.550 0.001 0.000 0.284 192 Y C 2.452 177.952 175.900 -0.668 0.000 1.143 192 Y CA 1.153 58.887 58.100 -0.610 0.000 1.135 192 Y CB -0.385 37.513 38.460 -0.936 0.000 0.980 192 Y HN -0.052 nan 8.280 nan 0.000 0.499 193 V N 0.436 120.176 119.914 -0.289 0.000 2.287 193 V HA -0.351 3.770 4.120 0.001 0.000 0.248 193 V C 2.399 178.482 176.094 -0.018 0.000 1.053 193 V CA 2.323 64.572 62.300 -0.085 0.000 1.027 193 V CB -0.629 31.248 31.823 0.090 0.000 0.646 193 V HN 0.351 nan 8.190 nan 0.000 0.447 194 K N 0.040 120.283 120.400 -0.262 0.000 2.002 194 K HA -0.187 4.134 4.320 0.001 0.000 0.209 194 K C 2.414 178.901 176.600 -0.188 0.000 1.048 194 K CA 1.540 57.545 56.287 -0.470 0.000 0.930 194 K CB -0.211 31.469 32.500 -1.368 0.000 0.714 194 K HN 0.284 nan 8.250 nan 0.000 0.438 195 R N -0.533 119.826 120.500 -0.235 0.000 2.127 195 R HA -0.149 4.191 4.340 0.001 0.000 0.238 195 R C 2.299 178.553 176.300 -0.077 0.000 1.134 195 R CA 1.529 57.528 56.100 -0.168 0.000 0.975 195 R CB -0.329 29.853 30.300 -0.196 0.000 0.865 195 R HN 0.287 nan 8.270 nan 0.000 0.447 196 F N 0.261 120.113 119.950 -0.164 0.000 2.098 196 F HA -0.221 4.306 4.527 0.001 0.000 0.294 196 F C 2.295 178.063 175.800 -0.054 0.000 1.107 196 F CA 1.237 59.187 58.000 -0.084 0.000 1.234 196 F CB -0.620 38.351 39.000 -0.048 0.000 1.002 196 F HN -0.037 nan 8.300 nan 0.000 0.472 197 Y N 1.391 121.730 120.300 0.065 0.000 2.151 197 Y HA -0.308 4.243 4.550 0.001 0.000 0.284 197 Y C 2.064 177.848 175.900 -0.194 0.000 1.166 197 Y CA 2.275 60.373 58.100 -0.004 0.000 1.163 197 Y CB -0.976 37.536 38.460 0.088 0.000 0.974 197 Y HN 0.097 nan 8.280 nan 0.000 0.511 198 D N 0.337 120.507 120.400 -0.383 0.000 2.144 198 D HA -0.161 4.479 4.640 0.001 0.000 0.199 198 D C 2.332 178.321 176.300 -0.519 0.000 0.984 198 D CA 1.506 55.211 54.000 -0.492 0.000 0.834 198 D CB -0.617 40.042 40.800 -0.235 0.000 0.955 198 D HN 0.530 nan 8.370 nan 0.000 0.465 199 A N 0.543 123.088 122.820 -0.458 0.000 1.877 199 A HA -0.149 4.171 4.320 0.001 0.000 0.216 199 A C 2.426 179.692 177.584 -0.529 0.000 1.186 199 A CA 2.226 54.001 52.037 -0.436 0.000 0.620 199 A CB -0.737 18.017 19.000 -0.411 0.000 0.822 199 A HN 0.241 nan 8.150 nan 0.000 0.443 200 V N -1.840 117.641 119.914 -0.722 0.000 2.788 200 V HA -0.051 4.069 4.120 0.001 0.000 0.251 200 V C 2.164 177.654 176.094 -1.007 0.000 1.068 200 V CA 1.914 63.772 62.300 -0.737 0.000 1.090 200 V CB -0.830 30.558 31.823 -0.725 0.000 0.710 200 V HN 0.618 nan 8.190 nan 0.000 0.467 201 S N 1.336 116.346 115.700 -1.151 0.000 2.527 201 S HA -0.047 4.423 4.470 0.001 0.000 0.222 201 S C 1.633 175.583 174.600 -1.083 0.000 0.985 201 S CA 0.846 58.353 58.200 -1.155 0.000 0.921 201 S CB -0.578 62.037 63.200 -0.975 0.000 0.772 201 S HN 0.859 nan 8.310 nan 0.000 0.529 202 T N -2.049 111.940 114.554 -0.942 0.000 3.174 202 T HA 0.385 4.735 4.350 0.001 0.000 0.269 202 T C 0.131 174.410 174.700 -0.701 0.000 1.017 202 T CA -0.602 60.965 62.100 -0.889 0.000 0.899 202 T CB -0.975 67.597 68.868 -0.493 0.000 1.077 202 T HN 0.252 nan 8.240 nan 0.000 0.552 203 F N 0.585 120.406 119.950 -0.216 0.000 2.988 203 F HA -0.194 4.333 4.527 0.001 0.000 0.287 203 F C 1.137 176.895 175.800 -0.070 0.000 0.781 203 F CA 0.199 58.136 58.000 -0.107 0.000 1.221 203 F CB -2.589 36.395 39.000 -0.028 0.000 1.392 203 F HN 0.346 nan 8.300 nan 0.000 0.425 204 K N -0.177 120.209 120.400 -0.023 0.000 2.314 204 K HA 0.329 4.649 4.320 0.001 0.000 0.198 204 K C 0.604 177.240 176.600 0.061 0.000 1.045 204 K CA 0.805 57.106 56.287 0.022 0.000 0.988 204 K CB 0.757 33.231 32.500 -0.042 0.000 0.783 204 K HN 0.298 nan 8.250 nan 0.000 0.484 205 I N 1.026 121.573 120.570 -0.037 0.000 2.447 205 I HA 0.081 4.252 4.170 0.001 0.000 0.287 205 I C -0.678 175.416 176.117 -0.039 0.000 1.023 205 I CA -0.310 60.952 61.300 -0.063 0.000 1.083 205 I CB 2.250 40.148 38.000 -0.171 0.000 1.245 205 I HN -0.163 nan 8.210 nan 0.000 0.434 206 S N 6.504 122.205 115.700 0.002 0.000 2.525 206 S HA 0.723 5.193 4.470 0.001 0.000 0.290 206 S C -0.455 174.177 174.600 0.053 0.000 1.152 206 S CA -0.557 57.684 58.200 0.068 0.000 1.072 206 S CB 1.033 64.293 63.200 0.101 0.000 1.027 206 S HN 0.309 nan 8.310 nan 0.000 0.500 207 L N 4.128 125.414 121.223 0.106 0.000 2.342 207 L HA 0.578 4.918 4.340 0.001 0.000 0.271 207 L C -2.167 174.753 176.870 0.083 0.000 1.008 207 L CA -2.268 52.623 54.840 0.085 0.000 0.818 207 L CB 1.724 43.848 42.059 0.109 0.000 1.296 207 L HN 0.403 nan 8.230 nan 0.000 0.427 208 P HA 0.127 nan 4.420 nan 0.000 0.276 208 P C 0.465 177.777 177.300 0.021 0.000 1.244 208 P CA -0.324 62.817 63.100 0.069 0.000 0.801 208 P CB 0.855 32.593 31.700 0.063 0.000 1.006 209 T N 2.448 117.035 114.554 0.055 0.000 2.572 209 T HA -0.183 4.168 4.350 0.001 0.000 0.258 209 T C -0.865 173.805 174.700 -0.050 0.000 1.154 209 T CA 2.933 65.033 62.100 -0.001 0.000 1.157 209 T CB -2.154 66.814 68.868 0.167 0.000 0.856 209 T HN 0.534 nan 8.240 nan 0.000 0.443 210 P HA 0.045 nan 4.420 nan 0.000 0.218 210 P C 1.405 178.859 177.300 0.257 0.000 1.148 210 P CA 0.881 64.069 63.100 0.146 0.000 0.822 210 P CB -0.129 31.681 31.700 0.184 0.000 0.784 211 I N -1.892 118.764 120.570 0.143 0.000 2.206 211 I HA -0.166 4.004 4.170 0.001 0.000 0.239 211 I C 2.306 178.425 176.117 0.003 0.000 1.078 211 I CA 1.157 62.490 61.300 0.055 0.000 1.367 211 I CB -0.606 37.373 38.000 -0.035 0.000 1.078 211 I HN -0.152 nan 8.210 nan 0.000 0.413 212 M N 0.385 119.912 119.600 -0.121 0.000 2.327 212 M HA -0.219 4.261 4.480 0.001 0.000 0.258 212 M C 2.182 178.334 176.300 -0.246 0.000 1.079 212 M CA 2.062 57.197 55.300 -0.275 0.000 1.056 212 M CB -1.182 30.902 32.600 -0.860 0.000 1.387 212 M HN 0.498 nan 8.290 nan 0.000 0.423 213 S N -2.735 112.884 115.700 -0.134 0.000 2.619 213 S HA 0.187 4.657 4.470 0.001 0.000 0.238 213 S C 1.794 176.478 174.600 0.141 0.000 1.068 213 S CA 0.304 58.508 58.200 0.006 0.000 0.926 213 S CB -0.117 63.091 63.200 0.013 0.000 0.864 213 S HN 0.386 nan 8.310 nan 0.000 0.493 214 G N 1.426 110.376 108.800 0.249 0.000 2.459 214 G HA2 0.220 4.180 3.960 0.001 0.000 0.213 214 G HA3 0.220 4.180 3.960 0.001 0.000 0.213 214 G C 0.310 175.503 174.900 0.487 0.000 1.155 214 G CA 0.358 45.731 45.100 0.454 0.000 0.811 214 G HN 0.394 nan 8.290 nan 0.000 0.534 215 V N 2.554 122.651 119.914 0.304 0.000 2.370 215 V HA 0.377 4.498 4.120 0.001 0.000 0.257 215 V C 1.028 177.205 176.094 0.139 0.000 1.064 215 V CA 0.869 63.272 62.300 0.172 0.000 0.975 215 V CB -0.160 31.607 31.823 -0.092 0.000 1.067 215 V HN 0.754 nan 8.190 nan 0.000 0.485 216 R N 2.552 123.167 120.500 0.192 0.000 1.703 216 R HA -0.101 4.240 4.340 0.001 0.000 0.358 216 R C 0.266 176.609 176.300 0.073 0.000 0.191 216 R CA 0.660 56.766 56.100 0.009 0.000 1.436 216 R CB -1.368 28.795 30.300 -0.228 0.000 1.807 216 R HN 0.657 nan 8.270 nan 0.000 0.184 217 T N -1.307 113.372 114.554 0.209 0.000 2.862 217 T HA 0.574 4.924 4.350 0.001 0.000 0.276 217 T C -1.928 172.887 174.700 0.191 0.000 0.974 217 T CA -1.349 60.886 62.100 0.224 0.000 0.966 217 T CB 1.868 70.861 68.868 0.208 0.000 1.072 217 T HN -0.122 nan 8.240 nan 0.000 0.538 218 P HA 0.086 nan 4.420 nan 0.000 0.226 218 P C 0.800 178.120 177.300 0.034 0.000 1.153 218 P CA 0.475 63.629 63.100 0.089 0.000 0.777 218 P CB -0.225 31.507 31.700 0.054 0.000 0.794 219 T N 0.348 114.907 114.554 0.009 0.000 2.855 219 T HA 0.069 4.419 4.350 0.001 0.000 0.314 219 T C 0.952 175.525 174.700 -0.212 0.000 1.077 219 T CA 0.045 62.067 62.100 -0.129 0.000 1.095 219 T CB 0.148 68.890 68.868 -0.210 0.000 0.987 219 T HN -0.114 nan 8.240 nan 0.000 0.546 220 R N 2.363 122.655 120.500 -0.347 0.000 2.629 220 R HA 0.190 4.530 4.340 0.001 0.000 0.408 220 R C -0.379 175.540 176.300 -0.635 0.000 1.057 220 R CA -0.087 55.781 56.100 -0.387 0.000 1.119 220 R CB 0.486 30.650 30.300 -0.227 0.000 1.403 220 R HN 0.672 nan 8.270 nan 0.000 0.576 221 Q N 0.034 119.297 119.800 -0.895 0.000 2.331 221 Q HA 0.363 4.703 4.340 0.001 0.000 0.257 221 Q C -0.289 175.178 176.000 -0.889 0.000 0.957 221 Q CA -0.080 55.334 55.803 -0.647 0.000 0.923 221 Q CB 0.816 29.336 28.738 -0.362 0.000 1.212 221 Q HN 0.039 nan 8.270 nan 0.000 0.443 222 F N -1.110 118.813 119.950 -0.044 0.000 2.925 222 F HA 0.171 4.699 4.527 0.000 0.000 0.359 222 F C 0.627 176.419 175.800 -0.014 0.000 1.038 222 F CA -0.445 57.545 58.000 -0.018 0.000 1.130 222 F CB 0.964 39.962 39.000 -0.004 0.000 1.093 222 F HN 0.262 nan 8.300 nan 0.000 0.561 223 S N 1.100 116.866 115.700 0.110 0.000 2.443 223 S HA 0.159 4.629 4.470 0.001 0.000 0.284 223 S C 1.164 175.795 174.600 0.051 0.000 1.206 223 S CA 0.342 58.583 58.200 0.069 0.000 1.074 223 S CB 0.280 63.534 63.200 0.091 0.000 0.963 223 S HN 0.365 nan 8.310 nan 0.000 0.501 224 S N 1.894 117.613 115.700 0.032 0.000 2.603 224 S HA 0.155 4.625 4.470 0.001 0.000 0.232 224 S C 0.305 174.896 174.600 -0.015 0.000 1.016 224 S CA -0.460 57.754 58.200 0.024 0.000 0.976 224 S CB 0.186 63.414 63.200 0.048 0.000 0.921 224 S HN 0.635 nan 8.310 nan 0.000 0.516 225 C N 2.422 121.690 119.300 -0.053 0.000 2.654 225 C HA 0.789 5.250 4.460 0.001 0.000 0.315 225 C C -0.378 174.529 174.990 -0.139 0.000 1.054 225 C CA -0.416 58.562 59.018 -0.068 0.000 1.419 225 C CB -0.068 27.656 27.740 -0.027 0.000 1.889 225 C HN 0.566 nan 8.230 nan 0.000 0.447 226 V N 5.629 125.424 119.914 -0.199 0.000 2.815 226 V HA 0.888 5.008 4.120 0.001 0.000 0.314 226 V C -1.365 174.630 176.094 -0.165 0.000 1.064 226 V CA -0.628 61.503 62.300 -0.280 0.000 0.952 226 V CB 1.898 33.344 31.823 -0.629 0.000 1.020 226 V HN 0.680 nan 8.190 nan 0.000 0.439 227 L N 5.737 126.873 121.223 -0.144 0.000 2.404 227 L HA 0.637 4.977 4.340 0.001 0.000 0.272 227 L C -0.339 176.472 176.870 -0.099 0.000 0.980 227 L CA -0.044 54.731 54.840 -0.108 0.000 0.836 227 L CB 1.720 43.708 42.059 -0.118 0.000 1.238 227 L HN 0.633 nan 8.230 nan 0.000 0.408 228 I N 1.387 121.904 120.570 -0.089 0.000 2.530 228 I HA 0.488 4.658 4.170 0.001 0.000 0.297 228 I C -0.285 175.780 176.117 -0.087 0.000 1.011 228 I CA -0.655 60.597 61.300 -0.080 0.000 1.107 228 I CB 2.196 40.144 38.000 -0.087 0.000 1.285 228 I HN 0.606 nan 8.210 nan 0.000 0.436 229 E N 4.290 124.452 120.200 -0.065 0.000 2.186 229 E HA 0.239 4.590 4.350 0.001 0.000 0.255 229 E C -1.387 175.199 176.600 -0.024 0.000 0.881 229 E CA -0.478 55.896 56.400 -0.043 0.000 0.752 229 E CB 1.778 31.457 29.700 -0.036 0.000 1.176 229 E HN 0.762 nan 8.360 nan 0.000 0.421 230 C N 4.334 123.613 119.300 -0.035 0.000 2.585 230 C HA 0.650 5.110 4.460 0.001 0.000 0.406 230 C C 1.007 176.028 174.990 0.052 0.000 1.312 230 C CA -0.090 58.931 59.018 0.003 0.000 1.924 230 C CB -0.887 26.841 27.740 -0.020 0.000 2.578 230 C HN 0.841 nan 8.230 nan 0.000 0.580 231 G N 3.502 112.338 108.800 0.060 0.000 2.557 231 G HA2 0.319 4.279 3.960 0.001 0.000 0.292 231 G HA3 0.319 4.279 3.960 0.001 0.000 0.292 231 G C -0.517 174.427 174.900 0.075 0.000 1.237 231 G CA -0.183 44.945 45.100 0.048 0.000 0.978 231 G HN 0.791 nan 8.290 nan 0.000 0.498 232 D N -0.463 119.958 120.400 0.035 0.000 2.896 232 D HA 0.385 5.025 4.640 0.001 0.000 0.240 232 D C 0.079 176.419 176.300 0.066 0.000 1.193 232 D CA -0.167 53.851 54.000 0.030 0.000 0.983 232 D CB -0.462 40.266 40.800 -0.120 0.000 1.074 232 D HN 0.452 nan 8.370 nan 0.000 0.496 233 S N -0.474 115.447 115.700 0.368 0.000 2.552 233 S HA 0.226 4.696 4.470 0.001 0.000 0.272 233 S C 0.905 175.672 174.600 0.279 0.000 1.150 233 S CA -0.908 57.654 58.200 0.603 0.000 0.849 233 S CB 0.663 64.008 63.200 0.242 0.000 1.113 233 S HN 0.078 nan 8.310 nan 0.000 0.458 234 L N 0.733 122.038 121.223 0.137 0.000 2.081 234 L HA -0.146 4.195 4.340 0.001 0.000 0.212 234 L C 1.908 178.797 176.870 0.032 0.000 1.080 234 L CA 1.663 56.465 54.840 -0.063 0.000 0.754 234 L CB -0.566 41.465 42.059 -0.047 0.000 0.893 234 L HN 0.713 nan 8.230 nan 0.000 0.433 235 D N -1.033 119.416 120.400 0.081 0.000 2.144 235 D HA -0.161 4.479 4.640 0.001 0.000 0.200 235 D C 2.385 178.733 176.300 0.080 0.000 0.978 235 D CA 1.479 55.524 54.000 0.075 0.000 0.833 235 D CB 0.040 40.884 40.800 0.073 0.000 0.961 235 D HN 0.140 nan 8.370 nan 0.000 0.470 236 S N -0.365 115.388 115.700 0.090 0.000 2.436 236 S HA 0.001 4.471 4.470 0.001 0.000 0.228 236 S C 2.033 176.703 174.600 0.117 0.000 1.014 236 S CA 0.150 58.405 58.200 0.092 0.000 0.950 236 S CB -0.060 63.193 63.200 0.089 0.000 0.784 236 S HN 0.126 nan 8.310 nan 0.000 0.504 237 I N 1.823 122.454 120.570 0.102 0.000 2.439 237 I HA -0.105 4.065 4.170 0.001 0.000 0.251 237 I C 2.165 178.425 176.117 0.238 0.000 1.139 237 I CA 0.698 62.095 61.300 0.161 0.000 1.438 237 I CB -0.239 37.683 38.000 -0.129 0.000 1.085 237 I HN 0.271 nan 8.210 nan 0.000 0.427 238 N N 0.991 119.784 118.700 0.154 0.000 2.109 238 N HA -0.060 4.680 4.740 0.001 0.000 0.188 238 N C 1.969 177.567 175.510 0.147 0.000 1.034 238 N CA 1.540 54.689 53.050 0.164 0.000 0.846 238 N CB -0.467 38.088 38.487 0.114 0.000 1.010 238 N HN 0.289 nan 8.380 nan 0.000 0.425 239 A N 0.721 123.609 122.820 0.114 0.000 1.873 239 A HA -0.187 4.133 4.320 0.001 0.000 0.218 239 A C 2.348 179.990 177.584 0.098 0.000 1.193 239 A CA 2.454 54.547 52.037 0.093 0.000 0.629 239 A CB -1.370 17.676 19.000 0.076 0.000 0.826 239 A HN 0.355 nan 8.150 nan 0.000 0.447 240 T N -0.365 114.252 114.554 0.105 0.000 2.624 240 T HA -0.215 4.135 4.350 0.001 0.000 0.268 240 T C 2.264 177.022 174.700 0.096 0.000 1.041 240 T CA 2.018 64.153 62.100 0.058 0.000 1.159 240 T CB -0.572 68.288 68.868 -0.015 0.000 0.863 240 T HN 0.559 nan 8.240 nan 0.000 0.434 241 S N 0.615 116.452 115.700 0.228 0.000 2.359 241 S HA -0.150 4.320 4.470 0.001 0.000 0.224 241 S C 2.361 177.021 174.600 0.100 0.000 1.035 241 S CA 1.763 60.084 58.200 0.201 0.000 1.018 241 S CB -0.581 62.748 63.200 0.215 0.000 0.876 241 S HN 0.490 nan 8.310 nan 0.000 0.448 242 S N 1.472 117.231 115.700 0.099 0.000 2.370 242 S HA -0.032 4.439 4.470 0.001 0.000 0.226 242 S C 2.197 176.830 174.600 0.055 0.000 1.033 242 S CA 1.141 59.381 58.200 0.066 0.000 1.011 242 S CB -0.699 62.539 63.200 0.063 0.000 0.852 242 S HN 0.718 nan 8.310 nan 0.000 0.457 243 A N 1.055 123.919 122.820 0.073 0.000 1.930 243 A HA 0.032 4.352 4.320 0.001 0.000 0.217 243 A C 2.069 179.737 177.584 0.141 0.000 1.175 243 A CA 0.942 53.039 52.037 0.100 0.000 0.627 243 A CB -0.589 18.483 19.000 0.119 0.000 0.815 243 A HN 0.452 nan 8.150 nan 0.000 0.443 244 I N -0.572 120.057 120.570 0.099 0.000 2.142 244 I HA -0.219 3.952 4.170 0.001 0.000 0.240 244 I C 2.396 178.561 176.117 0.080 0.000 1.078 244 I CA 1.157 62.512 61.300 0.091 0.000 1.343 244 I CB -0.280 37.748 38.000 0.046 0.000 1.046 244 I HN 0.153 nan 8.210 nan 0.000 0.405 245 V N 0.810 120.753 119.914 0.048 0.000 2.282 245 V HA -0.349 3.771 4.120 0.001 0.000 0.249 245 V C 2.574 178.676 176.094 0.013 0.000 1.057 245 V CA 1.786 64.102 62.300 0.025 0.000 1.032 245 V CB -0.766 31.066 31.823 0.015 0.000 0.645 245 V HN 0.361 nan 8.190 nan 0.000 0.447 246 K N -0.962 119.433 120.400 -0.008 0.000 2.009 246 K HA -0.192 4.129 4.320 0.001 0.000 0.210 246 K C 2.105 178.639 176.600 -0.110 0.000 1.049 246 K CA 1.930 58.162 56.287 -0.093 0.000 0.929 246 K CB -0.557 31.841 32.500 -0.170 0.000 0.714 246 K HN 0.526 nan 8.250 nan 0.000 0.440 247 Y N 0.799 121.092 120.300 -0.012 0.000 2.337 247 Y HA -0.145 4.405 4.550 0.000 0.000 0.293 247 Y C 2.232 178.121 175.900 -0.018 0.000 1.123 247 Y CA 0.691 58.781 58.100 -0.017 0.000 1.201 247 Y CB -0.395 38.059 38.460 -0.011 0.000 1.011 247 Y HN -0.090 nan 8.280 nan 0.000 0.545 248 V N -2.311 117.682 119.914 0.132 0.000 2.548 248 V HA -0.171 3.950 4.120 0.001 0.000 0.249 248 V C 2.258 178.376 176.094 0.040 0.000 1.055 248 V CA 1.576 63.920 62.300 0.073 0.000 1.065 248 V CB -1.331 30.521 31.823 0.048 0.000 0.681 248 V HN 0.431 nan 8.190 nan 0.000 0.462 249 S N 0.873 116.584 115.700 0.018 0.000 2.420 249 S HA -0.309 4.161 4.470 0.001 0.000 0.237 249 S C 1.786 176.379 174.600 -0.011 0.000 1.023 249 S CA 2.005 60.200 58.200 -0.007 0.000 0.991 249 S CB -0.681 62.501 63.200 -0.031 0.000 0.792 249 S HN 0.800 nan 8.310 nan 0.000 0.488 250 Q N 0.160 119.962 119.800 0.003 0.000 2.198 250 Q HA 0.387 4.727 4.340 0.001 0.000 0.209 250 Q C -0.559 175.456 176.000 0.025 0.000 0.848 250 Q CA -0.337 55.463 55.803 -0.004 0.000 0.974 250 Q CB 0.339 29.063 28.738 -0.024 0.000 1.115 250 Q HN 0.524 nan 8.270 nan 0.000 0.494 251 R N -0.528 119.995 120.500 0.039 0.000 3.223 251 R HA -0.133 4.207 4.340 0.001 0.000 0.262 251 R C -0.906 175.424 176.300 0.049 0.000 1.052 251 R CA 0.389 56.511 56.100 0.038 0.000 0.700 251 R CB -2.297 28.019 30.300 0.026 0.000 1.217 251 R HN 0.231 nan 8.270 nan 0.000 0.408 252 A N 0.466 123.326 122.820 0.068 0.000 2.305 252 A HA 0.734 5.054 4.320 0.001 0.000 0.322 252 A C 0.798 178.395 177.584 0.022 0.000 1.187 252 A CA 0.150 52.213 52.037 0.044 0.000 0.825 252 A CB 1.177 20.209 19.000 0.052 0.000 1.164 252 A HN 0.370 nan 8.150 nan 0.000 0.498 253 G N 1.537 110.340 108.800 0.006 0.000 2.380 253 G HA2 0.492 4.452 3.960 0.001 0.000 0.262 253 G HA3 0.492 4.452 3.960 0.001 0.000 0.262 253 G C -0.238 174.653 174.900 -0.015 0.000 1.243 253 G CA -0.221 44.883 45.100 0.006 0.000 0.865 253 G HN 0.490 nan 8.290 nan 0.000 0.513 254 I N 1.339 121.905 120.570 -0.007 0.000 2.525 254 I HA 0.538 4.708 4.170 0.001 0.000 0.301 254 I C 0.749 176.874 176.117 0.014 0.000 0.992 254 I CA -1.331 59.956 61.300 -0.022 0.000 1.162 254 I CB 1.303 39.288 38.000 -0.025 0.000 1.332 254 I HN 0.489 nan 8.210 nan 0.000 0.458 255 G N 5.844 114.661 108.800 0.029 0.000 2.478 255 G HA2 0.726 4.687 3.960 0.001 0.000 0.317 255 G HA3 0.726 4.687 3.960 0.001 0.000 0.317 255 G C -0.783 174.170 174.900 0.089 0.000 1.259 255 G CA -0.357 44.835 45.100 0.152 0.000 0.933 255 G HN 0.444 nan 8.290 nan 0.000 0.478 256 I N 1.965 122.607 120.570 0.119 0.000 2.378 256 I HA 0.237 4.407 4.170 0.001 0.000 0.291 256 I C -0.507 175.693 176.117 0.140 0.000 0.992 256 I CA -1.048 60.242 61.300 -0.017 0.000 1.154 256 I CB 2.131 40.000 38.000 -0.218 0.000 1.315 256 I HN 0.301 nan 8.210 nan 0.000 0.448 257 N N 5.090 123.820 118.700 0.051 0.000 2.439 257 N HA 0.476 5.217 4.740 0.001 0.000 0.249 257 N C -0.062 175.497 175.510 0.082 0.000 1.003 257 N CA -0.224 52.901 53.050 0.125 0.000 0.942 257 N CB 1.577 40.095 38.487 0.052 0.000 1.115 257 N HN 0.749 nan 8.380 nan 0.000 0.505 258 A N 2.269 125.180 122.820 0.150 0.000 2.589 258 A HA 0.343 4.663 4.320 0.001 0.000 0.283 258 A C 1.573 179.335 177.584 0.296 0.000 1.187 258 A CA 0.076 52.225 52.037 0.187 0.000 0.957 258 A CB -0.214 18.856 19.000 0.118 0.000 1.175 258 A HN 0.634 nan 8.150 nan 0.000 0.532 259 G N 0.619 109.616 108.800 0.329 0.000 2.462 259 G HA2 -0.226 3.735 3.960 0.001 0.000 0.220 259 G HA3 -0.226 3.735 3.960 0.001 0.000 0.220 259 G C 1.500 176.523 174.900 0.205 0.000 1.121 259 G CA 0.883 46.208 45.100 0.375 0.000 0.758 259 G HN 0.546 nan 8.290 nan 0.000 0.559 260 R N -0.528 119.978 120.500 0.011 0.000 2.297 260 R HA 0.273 4.613 4.340 0.001 0.000 0.197 260 R C 0.543 176.868 176.300 0.041 0.000 0.943 260 R CA -0.289 55.698 56.100 -0.189 0.000 1.038 260 R CB 0.065 30.187 30.300 -0.297 0.000 0.957 260 R HN 0.316 nan 8.270 nan 0.000 0.484 261 I N 3.358 124.042 120.570 0.191 0.000 2.598 261 I HA -0.037 4.134 4.170 0.001 0.000 0.284 261 I C 0.600 176.900 176.117 0.304 0.000 1.140 261 I CA -0.094 61.364 61.300 0.263 0.000 1.420 261 I CB 0.437 38.643 38.000 0.344 0.000 1.387 261 I HN 0.165 nan 8.210 nan 0.000 0.553 262 R N 5.782 126.409 120.500 0.212 0.000 2.679 262 R HA 0.507 4.847 4.340 0.001 0.000 0.268 262 R C -0.104 176.322 176.300 0.210 0.000 1.044 262 R CA -0.647 55.539 56.100 0.143 0.000 1.105 262 R CB 0.270 30.575 30.300 0.007 0.000 0.989 262 R HN 0.615 nan 8.270 nan 0.000 0.447 263 A N 3.287 126.171 122.820 0.108 0.000 2.351 263 A HA 0.241 4.562 4.320 0.001 0.000 0.257 263 A C 0.052 177.673 177.584 0.062 0.000 1.087 263 A CA -0.771 51.337 52.037 0.118 0.000 0.798 263 A CB 0.302 19.295 19.000 -0.011 0.000 1.033 263 A HN 0.777 nan 8.150 nan 0.000 0.488 264 L N 1.911 123.164 121.223 0.050 0.000 2.653 264 L HA 0.351 4.691 4.340 0.001 0.000 0.288 264 L C 1.228 178.076 176.870 -0.036 0.000 1.243 264 L CA 2.220 57.068 54.840 0.013 0.000 0.906 264 L CB -0.310 41.745 42.059 -0.008 0.000 1.154 264 L HN 1.828 nan 8.230 nan 0.000 0.498 265 G N 2.210 110.958 108.800 -0.087 0.000 2.217 265 G HA2 -0.273 3.688 3.960 0.001 0.000 0.246 265 G HA3 -0.273 3.688 3.960 0.001 0.000 0.246 265 G C 0.306 175.029 174.900 -0.295 0.000 0.990 265 G CA 0.395 45.388 45.100 -0.178 0.000 0.627 265 G HN 1.331 nan 8.290 nan 0.000 0.522 266 S N 1.434 117.004 115.700 -0.217 0.000 2.592 266 S HA 0.733 5.203 4.470 0.001 0.000 0.271 266 S C -1.534 172.909 174.600 -0.263 0.000 1.326 266 S CA -0.479 57.611 58.200 -0.185 0.000 1.024 266 S CB 2.376 65.520 63.200 -0.094 0.000 0.921 266 S HN 0.412 nan 8.310 nan 0.000 0.527 275 H N 0.944 120.176 119.070 0.270 0.000 2.319 275 H HA -0.123 4.433 4.556 0.001 0.000 0.299 275 H C 1.916 177.296 175.328 0.086 0.000 1.092 275 H CA 2.646 58.774 56.048 0.133 0.000 1.302 275 H CB -0.080 29.735 29.762 0.089 0.000 1.373 275 H HN 0.368 nan 8.280 nan 0.000 0.497 276 T N -1.784 112.892 114.554 0.203 0.000 3.148 276 T HA 0.302 4.652 4.350 0.001 0.000 0.253 276 T C 0.940 175.646 174.700 0.010 0.000 1.134 276 T CA 0.677 62.814 62.100 0.061 0.000 1.051 276 T CB -0.130 68.705 68.868 -0.055 0.000 0.959 276 T HN 0.694 nan 8.240 nan 0.000 0.525 277 G N -0.361 108.495 108.800 0.093 0.000 2.795 277 G HA2 -0.204 3.756 3.960 0.001 0.000 0.664 277 G HA3 -0.204 3.756 3.960 0.001 0.000 0.664 277 G C 0.746 175.694 174.900 0.081 0.000 1.381 277 G CA -0.653 44.492 45.100 0.075 0.000 0.853 277 G HN 0.362 nan 8.290 nan 0.000 0.545 278 C N -0.187 119.114 119.300 0.002 0.000 2.432 278 C HA -0.037 4.423 4.460 0.001 0.000 0.277 278 C C 3.058 177.879 174.990 -0.282 0.000 1.249 278 C CA 1.579 60.522 59.018 -0.125 0.000 1.725 278 C CB -1.567 25.837 27.740 -0.562 0.000 2.028 278 C HN 0.553 nan 8.230 nan 0.000 0.477 279 I N 1.412 121.763 120.570 -0.365 0.000 2.208 279 I HA -0.146 4.024 4.170 0.001 0.000 0.245 279 I C -0.547 175.489 176.117 -0.137 0.000 1.097 279 I CA 1.625 62.753 61.300 -0.285 0.000 1.363 279 I CB -1.789 36.069 38.000 -0.237 0.000 1.051 279 I HN 0.225 nan 8.210 nan 0.000 0.413 280 P HA -0.156 nan 4.420 nan 0.000 0.219 280 P C 1.487 178.581 177.300 -0.343 0.000 1.146 280 P CA 1.564 64.476 63.100 -0.313 0.000 0.808 280 P CB -0.068 31.340 31.700 -0.486 0.000 0.779 281 F N -2.566 117.330 119.950 -0.090 0.000 2.149 281 F HA -0.088 4.439 4.527 0.001 0.000 0.294 281 F C 2.311 177.951 175.800 -0.268 0.000 1.095 281 F CA 0.953 58.826 58.000 -0.212 0.000 1.276 281 F CB -1.588 37.297 39.000 -0.191 0.000 1.023 281 F HN -0.144 nan 8.300 nan 0.000 0.480 282 Y N 0.735 121.029 120.300 -0.010 0.000 2.102 282 Y HA -0.298 4.253 4.550 0.001 0.000 0.280 282 Y C 2.455 178.425 175.900 0.115 0.000 1.178 282 Y CA 1.278 59.468 58.100 0.149 0.000 1.146 282 Y CB -1.282 37.301 38.460 0.205 0.000 0.968 282 Y HN -0.016 nan 8.280 nan 0.000 0.504 283 K N -0.888 119.645 120.400 0.222 0.000 2.059 283 K HA -0.268 4.052 4.320 0.001 0.000 0.212 283 K C 2.094 178.784 176.600 0.151 0.000 1.050 283 K CA 1.952 58.328 56.287 0.148 0.000 0.927 283 K CB -0.443 32.094 32.500 0.061 0.000 0.714 283 K HN 0.320 nan 8.250 nan 0.000 0.447 284 H N -1.018 118.031 119.070 -0.036 0.000 2.421 284 H HA -0.082 4.475 4.556 0.001 0.000 0.298 284 H C 1.422 176.785 175.328 0.059 0.000 1.087 284 H CA 1.754 57.780 56.048 -0.036 0.000 1.330 284 H CB -0.058 29.643 29.762 -0.100 0.000 1.388 284 H HN 0.141 nan 8.280 nan 0.000 0.526 285 F N 0.534 120.567 119.950 0.138 0.000 2.113 285 F HA -0.130 4.397 4.527 0.001 0.000 0.297 285 F C 2.820 178.627 175.800 0.011 0.000 1.103 285 F CA 1.422 59.440 58.000 0.030 0.000 1.248 285 F CB -1.132 37.894 39.000 0.043 0.000 0.999 285 F HN 0.288 nan 8.300 nan 0.000 0.475 286 Q N 0.417 120.357 119.800 0.234 0.000 2.152 286 Q HA -0.225 4.116 4.340 0.001 0.000 0.206 286 Q C 2.011 178.069 176.000 0.097 0.000 0.985 286 Q CA 2.752 58.650 55.803 0.158 0.000 0.863 286 Q CB -0.219 28.627 28.738 0.179 0.000 0.904 286 Q HN 0.537 nan 8.270 nan 0.000 0.422 287 T N -2.139 112.457 114.554 0.070 0.000 2.942 287 T HA 0.118 4.468 4.350 0.001 0.000 0.265 287 T C 1.919 176.617 174.700 -0.003 0.000 1.062 287 T CA 0.771 62.891 62.100 0.034 0.000 1.139 287 T CB -0.436 68.462 68.868 0.050 0.000 0.883 287 T HN 0.367 nan 8.240 nan 0.000 0.468 288 A N 1.603 124.396 122.820 -0.044 0.000 1.892 288 A HA -0.036 4.284 4.320 0.001 0.000 0.218 288 A C 2.603 180.197 177.584 0.017 0.000 1.188 288 A CA 1.875 53.895 52.037 -0.028 0.000 0.631 288 A CB -1.318 17.670 19.000 -0.021 0.000 0.822 288 A HN 0.407 nan 8.150 nan 0.000 0.447 289 V N -0.778 119.159 119.914 0.039 0.000 2.490 289 V HA -0.186 3.934 4.120 0.001 0.000 0.250 289 V C 2.184 178.291 176.094 0.023 0.000 1.061 289 V CA 2.398 64.719 62.300 0.036 0.000 1.064 289 V CB -0.504 31.345 31.823 0.043 0.000 0.670 289 V HN 0.480 nan 8.190 nan 0.000 0.461 290 K N -0.069 120.340 120.400 0.016 0.000 2.358 290 K HA 0.121 4.442 4.320 0.001 0.000 0.200 290 K C 1.963 178.561 176.600 -0.002 0.000 1.030 290 K CA 0.614 56.901 56.287 -0.000 0.000 1.097 290 K CB 0.137 32.628 32.500 -0.014 0.000 0.862 290 K HN 0.558 nan 8.250 nan 0.000 0.534 291 S N -0.953 114.749 115.700 0.004 0.000 2.440 291 S HA -0.171 4.300 4.470 0.001 0.000 0.238 291 S C 1.241 175.842 174.600 0.001 0.000 1.010 291 S CA 0.857 59.059 58.200 0.003 0.000 0.972 291 S CB -0.492 62.711 63.200 0.004 0.000 0.774 291 S HN 0.256 nan 8.310 nan 0.000 0.501 292 C N 2.675 121.976 119.300 0.001 0.000 2.660 292 C HA 0.680 5.140 4.460 0.001 0.000 0.265 292 C C 0.431 175.420 174.990 -0.002 0.000 1.573 292 C CA -0.585 58.433 59.018 -0.000 0.000 1.751 292 C CB -1.484 26.257 27.740 0.002 0.000 3.033 292 C HN 0.656 nan 8.230 nan 0.000 0.511 293 S N -0.193 115.503 115.700 -0.006 0.000 2.543 293 S HA 0.699 5.170 4.470 0.001 0.000 0.271 293 S C -0.934 173.656 174.600 -0.017 0.000 1.148 293 S CA -0.375 57.819 58.200 -0.010 0.000 0.914 293 S CB 1.851 65.045 63.200 -0.011 0.000 1.096 293 S HN 0.409 nan 8.310 nan 0.000 0.471 294 Q N 1.085 120.876 119.800 -0.015 0.000 0.603 294 Q HA -0.132 4.208 4.340 0.001 0.000 0.339 294 Q C 0.533 176.522 176.000 -0.017 0.000 1.076 294 Q CA 1.891 57.683 55.803 -0.018 0.000 0.347 294 Q CB -1.452 27.268 28.738 -0.030 0.000 5.454 294 Q HN 1.813 nan 8.270 nan 0.000 0.353 295 G N 0.344 109.133 108.800 -0.019 0.000 3.455 295 G HA2 0.457 4.418 3.960 0.001 0.000 0.250 295 G HA3 0.457 4.418 3.960 0.001 0.000 0.250 295 G C 0.928 175.809 174.900 -0.032 0.000 1.071 295 G CA 0.658 45.747 45.100 -0.018 0.000 1.812 295 G HN 1.730 nan 8.290 nan 0.000 0.643 296 G N -1.349 107.426 108.800 -0.042 0.000 2.159 296 G HA2 -0.287 3.673 3.960 0.001 0.000 0.256 296 G HA3 -0.287 3.673 3.960 0.001 0.000 0.256 296 G C 1.086 175.899 174.900 -0.144 0.000 0.977 296 G CA 0.864 45.922 45.100 -0.070 0.000 0.652 296 G HN 1.421 nan 8.290 nan 0.000 0.531 297 V N -2.155 117.683 119.914 -0.127 0.000 2.695 297 V HA 0.557 4.677 4.120 0.001 0.000 0.230 297 V C 1.250 177.282 176.094 -0.103 0.000 1.110 297 V CA 1.140 63.337 62.300 -0.172 0.000 1.159 297 V CB -0.165 31.584 31.823 -0.122 0.000 0.875 297 V HN 0.738 nan 8.190 nan 0.000 0.502 298 R N 2.589 123.060 120.500 -0.049 0.000 2.229 298 R HA 0.642 4.982 4.340 0.001 0.000 0.328 298 R C -0.074 176.220 176.300 -0.009 0.000 1.009 298 R CA 0.540 56.628 56.100 -0.019 0.000 0.864 298 R CB -0.133 30.165 30.300 -0.004 0.000 1.085 298 R HN 1.714 nan 8.270 nan 0.000 0.453 299 G N 0.987 109.788 108.800 0.001 0.000 2.770 299 G HA2 0.384 4.344 3.960 0.001 0.000 0.686 299 G HA3 0.384 4.344 3.960 0.001 0.000 0.686 299 G C -0.036 174.869 174.900 0.009 0.000 1.180 299 G CA 0.073 45.178 45.100 0.009 0.000 0.767 299 G HN 1.576 nan 8.290 nan 0.000 0.646 300 G N -0.726 108.085 108.800 0.018 0.000 3.391 300 G HA2 0.533 4.494 3.960 0.001 0.000 0.675 300 G HA3 0.533 4.494 3.960 0.001 0.000 0.675 300 G C 0.232 175.145 174.900 0.022 0.000 0.899 300 G CA 0.863 45.976 45.100 0.021 0.000 0.755 300 G HN 2.743 nan 8.290 nan 0.000 0.475 301 A N 1.656 124.490 122.820 0.023 0.000 2.449 301 A HA 1.168 5.489 4.320 0.001 0.000 0.302 301 A C 0.183 177.774 177.584 0.012 0.000 1.048 301 A CA 0.309 52.360 52.037 0.022 0.000 0.708 301 A CB 1.848 20.866 19.000 0.031 0.000 1.274 301 A HN 2.687 nan 8.150 nan 0.000 0.410 302 A N 0.836 123.652 122.820 -0.007 0.000 2.539 302 A HA 0.893 5.213 4.320 0.001 0.000 0.296 302 A C -0.474 177.059 177.584 -0.085 0.000 1.073 302 A CA -0.507 51.514 52.037 -0.028 0.000 0.700 302 A CB 1.510 20.491 19.000 -0.031 0.000 1.296 302 A HN 0.879 nan 8.150 nan 0.000 0.405 303 T N 1.659 116.163 114.554 -0.083 0.000 2.812 303 T HA 0.543 4.894 4.350 0.001 0.000 0.282 303 T C -0.660 173.876 174.700 -0.274 0.000 0.990 303 T CA -0.154 61.807 62.100 -0.231 0.000 0.960 303 T CB 0.903 69.680 68.868 -0.151 0.000 0.948 303 T HN 0.573 nan 8.240 nan 0.000 0.438 304 L N 3.504 124.481 121.223 -0.411 0.000 2.334 304 L HA 0.754 5.095 4.340 0.001 0.000 0.275 304 L C -1.480 175.237 176.870 -0.254 0.000 1.036 304 L CA -0.690 54.045 54.840 -0.175 0.000 0.807 304 L CB 0.747 42.770 42.059 -0.060 0.000 1.231 304 L HN 0.540 nan 8.230 nan 0.000 0.438 305 F N 3.400 123.403 119.950 0.089 0.000 2.520 305 F HA 0.566 5.094 4.527 0.001 0.000 0.322 305 F C -0.669 175.239 175.800 0.180 0.000 1.103 305 F CA -0.506 57.528 58.000 0.056 0.000 0.926 305 F CB 1.618 40.658 39.000 0.066 0.000 1.154 305 F HN 0.322 nan 8.300 nan 0.000 0.453 306 Y N 0.646 121.129 120.300 0.306 0.000 2.597 306 Y HA 0.791 5.341 4.550 0.000 0.000 0.340 306 Y C -3.355 172.615 175.900 0.116 0.000 1.097 306 Y CA -3.648 54.572 58.100 0.200 0.000 1.037 306 Y CB 0.976 39.483 38.460 0.079 0.000 1.305 306 Y HN 0.231 nan 8.280 nan 0.000 0.463 307 P HA 0.155 nan 4.420 nan 0.000 0.284 307 P C 0.456 177.586 177.300 -0.283 0.000 1.253 307 P CA -0.474 62.477 63.100 -0.248 0.000 0.800 307 P CB 1.689 32.805 31.700 -0.974 0.000 0.961 308 M N 2.844 122.312 119.600 -0.219 0.000 2.358 308 M HA -0.060 4.420 4.480 0.001 0.000 0.264 308 M C 0.837 177.114 176.300 -0.038 0.000 1.064 308 M CA 1.689 56.941 55.300 -0.081 0.000 1.093 308 M CB -0.237 32.301 32.600 -0.102 0.000 1.401 308 M HN 0.474 nan 8.290 nan 0.000 0.440 309 W N -0.461 120.866 121.300 0.046 0.000 3.345 309 W HA 0.139 4.799 4.660 0.000 0.000 0.282 309 W C 0.214 176.823 176.519 0.149 0.000 1.302 309 W CA -0.467 56.946 57.345 0.114 0.000 1.724 309 W CB -1.551 28.037 29.460 0.213 0.000 1.104 309 W HN 0.097 nan 8.180 nan 0.000 0.694 310 H N 2.353 121.351 119.070 -0.120 0.000 2.928 310 H HA -0.058 4.498 4.556 0.001 0.000 0.338 310 H C 1.150 176.500 175.328 0.037 0.000 1.047 310 H CA 0.468 56.481 56.048 -0.060 0.000 1.435 310 H CB 1.777 31.442 29.762 -0.161 0.000 1.428 310 H HN 0.080 nan 8.280 nan 0.000 0.590 311 L N 4.442 125.569 121.223 -0.159 0.000 2.189 311 L HA -0.177 4.163 4.340 0.001 0.000 0.214 311 L C 1.554 178.446 176.870 0.035 0.000 1.097 311 L CA 1.873 56.678 54.840 -0.058 0.000 0.764 311 L CB -0.182 41.805 42.059 -0.121 0.000 0.900 311 L HN 0.712 nan 8.230 nan 0.000 0.436 312 E N -1.814 118.523 120.200 0.229 0.000 2.476 312 E HA -0.022 4.329 4.350 0.001 0.000 0.196 312 E C 1.995 178.540 176.600 -0.091 0.000 1.029 312 E CA 0.310 56.744 56.400 0.056 0.000 0.896 312 E CB 0.315 30.024 29.700 0.015 0.000 1.012 312 E HN 0.388 nan 8.360 nan 0.000 0.475 313 V N 1.325 121.207 119.914 -0.054 0.000 2.317 313 V HA -0.375 3.745 4.120 0.001 0.000 0.251 313 V C 2.021 178.027 176.094 -0.146 0.000 1.065 313 V CA 2.405 64.611 62.300 -0.157 0.000 1.049 313 V CB -0.076 31.742 31.823 -0.008 0.000 0.651 313 V HN 0.294 nan 8.190 nan 0.000 0.450 314 E N -0.313 119.833 120.200 -0.089 0.000 2.097 314 E HA -0.199 4.152 4.350 0.001 0.000 0.196 314 E C 2.247 178.781 176.600 -0.110 0.000 1.000 314 E CA 1.846 58.199 56.400 -0.078 0.000 0.804 314 E CB -0.174 29.492 29.700 -0.057 0.000 0.740 314 E HN 0.761 nan 8.360 nan 0.000 0.454 315 S N 0.014 115.626 115.700 -0.146 0.000 2.436 315 S HA 0.001 4.471 4.470 0.001 0.000 0.228 315 S C 1.878 176.326 174.600 -0.254 0.000 1.014 315 S CA 0.375 58.470 58.200 -0.175 0.000 0.950 315 S CB 0.021 63.115 63.200 -0.175 0.000 0.784 315 S HN 0.215 nan 8.310 nan 0.000 0.504 316 L N 0.738 121.743 121.223 -0.363 0.000 2.072 316 L HA 0.005 4.345 4.340 0.001 0.000 0.205 316 L C 1.996 178.656 176.870 -0.350 0.000 1.079 316 L CA 0.497 55.011 54.840 -0.544 0.000 0.752 316 L CB -0.631 40.758 42.059 -1.116 0.000 0.906 316 L HN 0.252 nan 8.230 nan 0.000 0.436 317 L N 0.192 121.314 121.223 -0.167 0.000 2.270 317 L HA -0.173 4.168 4.340 0.001 0.000 0.217 317 L C 2.149 178.970 176.870 -0.080 0.000 1.107 317 L CA 1.699 56.511 54.840 -0.047 0.000 0.772 317 L CB -0.736 41.308 42.059 -0.024 0.000 0.902 317 L HN 0.289 nan 8.230 nan 0.000 0.439 318 V N -6.603 113.239 119.914 -0.119 0.000 3.605 318 V HA 0.112 4.232 4.120 0.001 0.000 0.284 318 V C 2.088 178.129 176.094 -0.088 0.000 1.386 318 V CA -0.036 62.213 62.300 -0.085 0.000 1.053 318 V CB -0.258 31.523 31.823 -0.070 0.000 0.857 318 V HN 0.186 nan 8.190 nan 0.000 0.436 319 L N 1.717 122.851 121.223 -0.148 0.000 2.198 319 L HA -0.275 4.066 4.340 0.001 0.000 0.218 319 L C 2.676 179.550 176.870 0.006 0.000 1.084 319 L CA 2.857 57.634 54.840 -0.105 0.000 0.779 319 L CB -0.499 41.423 42.059 -0.228 0.000 0.890 319 L HN 0.637 nan 8.230 nan 0.000 0.439 320 K N -0.479 119.944 120.400 0.039 0.000 2.354 320 K HA 0.005 4.325 4.320 0.001 0.000 0.194 320 K C 0.714 177.307 176.600 -0.011 0.000 1.038 320 K CA -0.073 56.242 56.287 0.047 0.000 1.052 320 K CB -0.205 32.362 32.500 0.112 0.000 0.861 320 K HN 0.178 nan 8.250 nan 0.000 0.535 321 N N 2.893 121.583 118.700 -0.016 0.000 2.411 321 N HA -0.113 4.627 4.740 0.001 0.000 0.261 321 N C -1.059 174.433 175.510 -0.030 0.000 1.248 321 N CA -0.242 52.793 53.050 -0.024 0.000 0.885 321 N CB 0.301 38.772 38.487 -0.026 0.000 1.062 321 N HN 0.241 nan 8.380 nan 0.000 0.471 322 N N 3.113 121.796 118.700 -0.029 0.000 2.645 322 N HA 0.350 5.090 4.740 0.001 0.000 0.233 322 N C -0.748 174.750 175.510 -0.019 0.000 1.058 322 N CA -0.554 52.480 53.050 -0.026 0.000 0.942 322 N CB 0.751 39.222 38.487 -0.027 0.000 1.210 322 N HN 0.684 nan 8.380 nan 0.000 0.512 323 R N 1.044 121.532 120.500 -0.020 0.000 3.321 323 R HA 0.466 4.807 4.340 0.001 0.000 0.271 323 R C -0.997 175.290 176.300 -0.022 0.000 0.994 323 R CA 0.033 56.122 56.100 -0.018 0.000 0.920 323 R CB 0.275 30.565 30.300 -0.017 0.000 1.271 323 R HN 0.842 nan 8.270 nan 0.000 0.531 324 G N 0.909 109.696 108.800 -0.020 0.000 2.787 324 G HA2 -0.155 3.805 3.960 0.001 0.000 0.685 324 G HA3 -0.155 3.805 3.960 0.001 0.000 0.685 324 G C -0.635 174.250 174.900 -0.024 0.000 1.437 324 G CA -0.395 44.691 45.100 -0.024 0.000 0.872 324 G HN 0.658 nan 8.290 nan 0.000 0.566 325 V N 0.999 120.898 119.914 -0.026 0.000 3.287 325 V HA 0.332 4.452 4.120 0.001 0.000 0.306 325 V C 2.058 178.137 176.094 -0.025 0.000 1.103 325 V CA 1.534 63.819 62.300 -0.024 0.000 1.159 325 V CB 1.447 33.254 31.823 -0.026 0.000 1.036 325 V HN 1.353 nan 8.190 nan 0.000 0.487 326 E N 3.712 123.899 120.200 -0.021 0.000 2.028 326 E HA -0.183 4.167 4.350 0.001 0.000 0.217 326 E C 1.784 178.371 176.600 -0.021 0.000 1.039 326 E CA 2.636 59.026 56.400 -0.017 0.000 0.882 326 E CB -1.214 28.477 29.700 -0.015 0.000 0.794 326 E HN 0.853 nan 8.360 nan 0.000 0.488 327 G N -0.213 108.570 108.800 -0.029 0.000 2.418 327 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 327 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 327 G C 0.871 175.745 174.900 -0.043 0.000 1.158 327 G CA 0.826 45.905 45.100 -0.036 0.000 0.771 327 G HN 0.538 nan 8.290 nan 0.000 0.545 328 N N 0.447 119.116 118.700 -0.051 0.000 2.652 328 N HA 0.201 4.941 4.740 0.001 0.000 0.259 328 N C -0.081 175.393 175.510 -0.060 0.000 1.240 328 N CA 0.085 53.094 53.050 -0.068 0.000 0.951 328 N CB 0.278 38.719 38.487 -0.078 0.000 1.281 328 N HN 0.008 nan 8.380 nan 0.000 0.507 329 R N 0.354 120.833 120.500 -0.035 0.000 2.514 329 R HA 0.347 4.688 4.340 0.001 0.000 0.296 329 R C -1.552 174.762 176.300 0.024 0.000 1.012 329 R CA -0.662 55.428 56.100 -0.017 0.000 0.897 329 R CB 2.070 32.359 30.300 -0.019 0.000 1.184 329 R HN 0.000 nan 8.270 nan 0.000 0.440 330 V N 5.299 125.255 119.914 0.069 0.000 2.284 330 V HA 0.243 4.363 4.120 0.001 0.000 0.274 330 V C 0.657 176.845 176.094 0.157 0.000 1.023 330 V CA -0.477 61.915 62.300 0.152 0.000 0.808 330 V CB 1.304 33.289 31.823 0.269 0.000 1.035 330 V HN 0.601 nan 8.190 nan 0.000 0.445 331 R N 0.910 121.424 120.500 0.024 0.000 2.140 331 R HA 0.169 4.510 4.340 0.001 0.000 0.213 331 R C 0.877 177.049 176.300 -0.214 0.000 1.059 331 R CA 0.815 56.825 56.100 -0.150 0.000 1.000 331 R CB 0.043 30.115 30.300 -0.380 0.000 0.910 331 R HN 0.701 nan 8.270 nan 0.000 0.455 332 H N 0.496 119.609 119.070 0.072 0.000 2.508 332 H HA 0.406 4.963 4.556 0.001 0.000 0.224 332 H C -0.148 175.177 175.328 -0.004 0.000 1.723 332 H CA 0.101 56.169 56.048 0.033 0.000 1.251 332 H CB -0.162 29.618 29.762 0.031 0.000 1.627 332 H HN 0.020 nan 8.280 nan 0.000 0.543 333 M N 0.916 120.511 119.600 -0.009 0.000 2.562 333 M HA 0.188 4.668 4.480 0.001 0.000 0.281 333 M C -1.202 174.834 176.300 -0.441 0.000 1.195 333 M CA -0.739 54.442 55.300 -0.199 0.000 0.888 333 M CB 2.987 35.421 32.600 -0.277 0.000 1.731 333 M HN 0.133 nan 8.290 nan 0.000 0.493 334 D N 0.503 120.614 120.400 -0.482 0.000 2.332 334 D HA 0.608 5.248 4.640 0.001 0.000 0.252 334 D C -1.410 174.323 176.300 -0.945 0.000 1.050 334 D CA 0.147 53.818 54.000 -0.549 0.000 0.970 334 D CB 1.272 41.931 40.800 -0.235 0.000 1.141 334 D HN 0.314 nan 8.370 nan 0.000 0.485 335 Y N -1.007 119.096 120.300 -0.327 0.000 2.485 335 Y HA 0.531 5.081 4.550 0.001 0.000 0.345 335 Y C 0.789 176.421 175.900 -0.448 0.000 0.998 335 Y CA -1.056 56.839 58.100 -0.342 0.000 1.059 335 Y CB 2.308 40.688 38.460 -0.133 0.000 1.234 335 Y HN 0.331 nan 8.280 nan 0.000 0.461 336 G N 1.353 109.853 108.800 -0.500 0.000 2.605 336 G HA2 0.530 4.491 3.960 0.001 0.000 0.304 336 G HA3 0.530 4.491 3.960 0.001 0.000 0.304 336 G C -1.560 173.135 174.900 -0.341 0.000 1.333 336 G CA -0.601 44.280 45.100 -0.364 0.000 0.973 336 G HN 0.442 nan 8.290 nan 0.000 0.507 337 V N 2.718 122.479 119.914 -0.255 0.000 2.461 337 V HA 0.279 4.399 4.120 0.001 0.000 0.275 337 V C 0.168 176.251 176.094 -0.017 0.000 1.047 337 V CA -0.466 61.660 62.300 -0.290 0.000 0.955 337 V CB 1.169 32.878 31.823 -0.190 0.000 0.988 337 V HN 0.735 nan 8.190 nan 0.000 0.471 338 Q N 4.788 124.618 119.800 0.049 0.000 2.290 338 Q HA 0.695 5.035 4.340 0.001 0.000 0.259 338 Q C -0.902 175.215 176.000 0.196 0.000 0.941 338 Q CA -0.182 55.728 55.803 0.179 0.000 0.912 338 Q CB 1.966 30.896 28.738 0.321 0.000 1.244 338 Q HN 0.676 nan 8.270 nan 0.000 0.441 339 I N 1.568 122.207 120.570 0.114 0.000 2.785 339 I HA 0.515 4.685 4.170 0.001 0.000 0.302 339 I C -0.364 175.747 176.117 -0.010 0.000 1.069 339 I CA -1.128 60.203 61.300 0.051 0.000 1.045 339 I CB 1.916 39.834 38.000 -0.137 0.000 1.236 339 I HN 0.644 nan 8.210 nan 0.000 0.429 340 N N 2.692 121.374 118.700 -0.030 0.000 3.102 340 N HA 0.335 5.075 4.740 0.001 0.000 0.299 340 N C 0.052 175.583 175.510 0.034 0.000 1.482 340 N CA -0.939 52.068 53.050 -0.072 0.000 0.785 340 N CB 1.227 39.492 38.487 -0.371 0.000 1.680 340 N HN 0.513 nan 8.380 nan 0.000 0.594 341 K N -0.949 119.466 120.400 0.024 0.000 2.032 341 K HA -0.080 4.241 4.320 0.001 0.000 0.209 341 K C 1.658 178.285 176.600 0.044 0.000 1.048 341 K CA 1.068 57.356 56.287 0.001 0.000 0.927 341 K CB -0.290 32.257 32.500 0.080 0.000 0.712 341 K HN 0.380 nan 8.250 nan 0.000 0.441 342 L N 1.521 122.777 121.223 0.053 0.000 1.990 342 L HA -0.257 4.083 4.340 0.001 0.000 0.213 342 L C 2.130 179.051 176.870 0.085 0.000 1.072 342 L CA 1.850 56.740 54.840 0.083 0.000 0.755 342 L CB -0.675 41.458 42.059 0.123 0.000 0.889 342 L HN 0.282 nan 8.230 nan 0.000 0.432 343 M N -1.927 117.715 119.600 0.069 0.000 2.108 343 M HA -0.260 4.220 4.480 0.001 0.000 0.261 343 M C 2.414 178.810 176.300 0.160 0.000 1.066 343 M CA 1.756 57.118 55.300 0.104 0.000 1.107 343 M CB -1.444 31.167 32.600 0.018 0.000 1.356 343 M HN 0.246 nan 8.290 nan 0.000 0.406 344 Y N 0.748 121.096 120.300 0.081 0.000 2.200 344 Y HA -0.134 4.416 4.550 0.000 0.000 0.290 344 Y C 2.842 178.673 175.900 -0.114 0.000 1.137 344 Y CA 1.660 59.705 58.100 -0.092 0.000 1.163 344 Y CB -1.257 37.016 38.460 -0.312 0.000 0.988 344 Y HN 0.245 nan 8.280 nan 0.000 0.518 345 T N 0.137 114.749 114.554 0.098 0.000 2.699 345 T HA -0.190 4.160 4.350 0.001 0.000 0.268 345 T C 2.033 176.768 174.700 0.058 0.000 1.036 345 T CA 1.353 63.486 62.100 0.055 0.000 1.147 345 T CB -0.100 68.803 68.868 0.059 0.000 0.862 345 T HN 0.161 nan 8.240 nan 0.000 0.446 346 R N 0.665 121.221 120.500 0.095 0.000 2.120 346 R HA 0.026 4.366 4.340 0.001 0.000 0.234 346 R C 2.290 178.634 176.300 0.074 0.000 1.123 346 R CA 0.705 56.869 56.100 0.106 0.000 0.975 346 R CB -1.187 29.210 30.300 0.162 0.000 0.866 346 R HN 0.350 nan 8.270 nan 0.000 0.446 347 L N 0.882 122.121 121.223 0.027 0.000 2.005 347 L HA -0.087 4.253 4.340 0.001 0.000 0.207 347 L C 2.163 178.989 176.870 -0.074 0.000 1.072 347 L CA 1.584 56.365 54.840 -0.097 0.000 0.744 347 L CB -0.626 41.142 42.059 -0.486 0.000 0.895 347 L HN 0.053 nan 8.230 nan 0.000 0.433 348 L N -0.416 120.770 121.223 -0.061 0.000 2.012 348 L HA -0.232 4.108 4.340 0.001 0.000 0.210 348 L C 1.973 178.834 176.870 -0.014 0.000 1.073 348 L CA 1.504 56.318 54.840 -0.042 0.000 0.748 348 L CB -0.632 41.407 42.059 -0.033 0.000 0.891 348 L HN 0.242 nan 8.230 nan 0.000 0.431 349 K N 0.765 121.168 120.400 0.004 0.000 2.630 349 K HA 0.087 4.408 4.320 0.001 0.000 0.204 349 K C 0.760 177.372 176.600 0.021 0.000 1.024 349 K CA 0.302 56.599 56.287 0.016 0.000 1.157 349 K CB -0.359 32.157 32.500 0.028 0.000 0.899 349 K HN 0.372 nan 8.250 nan 0.000 0.501 350 G N 2.571 111.380 108.800 0.015 0.000 2.293 350 G HA2 -0.284 3.676 3.960 0.001 0.000 0.271 350 G HA3 -0.284 3.676 3.960 0.001 0.000 0.271 350 G C -0.339 174.584 174.900 0.039 0.000 0.857 350 G CA 0.739 45.855 45.100 0.026 0.000 1.221 350 G HN 0.475 nan 8.290 nan 0.000 0.445 351 E N -0.375 119.857 120.200 0.055 0.000 2.568 351 E HA 0.453 4.804 4.350 0.001 0.000 0.242 351 E C -0.626 176.022 176.600 0.080 0.000 0.945 351 E CA -1.091 55.346 56.400 0.063 0.000 0.918 351 E CB 0.870 30.611 29.700 0.070 0.000 1.386 351 E HN 0.179 nan 8.360 nan 0.000 0.426 352 D N 0.312 120.761 120.400 0.082 0.000 2.229 352 D HA 0.424 5.064 4.640 0.001 0.000 0.249 352 D C -0.661 175.719 176.300 0.133 0.000 1.027 352 D CA -0.266 53.785 54.000 0.085 0.000 0.923 352 D CB 1.170 41.999 40.800 0.048 0.000 1.174 352 D HN 0.200 nan 8.370 nan 0.000 0.443 353 I N 0.911 121.565 120.570 0.139 0.000 2.404 353 I HA 0.181 4.352 4.170 0.001 0.000 0.293 353 I C 0.160 176.354 176.117 0.129 0.000 0.992 353 I CA -0.396 61.028 61.300 0.206 0.000 1.149 353 I CB 1.771 39.895 38.000 0.207 0.000 1.315 353 I HN 0.057 nan 8.210 nan 0.000 0.446 354 T N 7.035 121.673 114.554 0.142 0.000 2.837 354 T HA 0.529 4.879 4.350 0.001 0.000 0.285 354 T C -0.181 174.429 174.700 -0.150 0.000 0.984 354 T CA -0.472 61.520 62.100 -0.179 0.000 1.049 354 T CB 0.847 69.403 68.868 -0.521 0.000 0.947 354 T HN 0.267 nan 8.240 nan 0.000 0.472 355 L N 3.988 125.031 121.223 -0.300 0.000 2.287 355 L HA 0.581 4.922 4.340 0.001 0.000 0.287 355 L C -0.833 175.858 176.870 -0.297 0.000 1.022 355 L CA -0.743 54.055 54.840 -0.070 0.000 0.814 355 L CB 0.572 42.622 42.059 -0.014 0.000 1.217 355 L HN 0.590 nan 8.230 nan 0.000 0.420 356 F N 0.105 120.158 119.950 0.171 0.000 2.556 356 F HA 0.441 4.968 4.527 0.001 0.000 0.327 356 F C 0.710 176.521 175.800 0.018 0.000 1.059 356 F CA -0.985 57.037 58.000 0.036 0.000 0.953 356 F CB 1.862 40.819 39.000 -0.072 0.000 1.227 356 F HN 0.352 nan 8.300 nan 0.000 0.478 357 S N 1.748 117.505 115.700 0.096 0.000 2.523 357 S HA 0.267 4.737 4.470 0.001 0.000 0.275 357 S C -1.848 172.788 174.600 0.060 0.000 1.281 357 S CA -1.311 56.842 58.200 -0.079 0.000 1.050 357 S CB 1.130 64.276 63.200 -0.090 0.000 0.937 357 S HN 0.338 nan 8.310 nan 0.000 0.492 358 P HA -0.145 nan 4.420 nan 0.000 0.216 358 P C 1.720 179.037 177.300 0.029 0.000 1.150 358 P CA 1.592 64.805 63.100 0.188 0.000 0.843 358 P CB -0.184 31.610 31.700 0.156 0.000 0.787 359 S N -1.086 114.598 115.700 -0.026 0.000 2.440 359 S HA -0.185 4.285 4.470 0.001 0.000 0.240 359 S C 1.347 175.893 174.600 -0.091 0.000 1.014 359 S CA 1.563 59.718 58.200 -0.074 0.000 0.980 359 S CB -1.089 62.052 63.200 -0.099 0.000 0.775 359 S HN 0.131 nan 8.310 nan 0.000 0.499 360 D N 0.981 121.321 120.400 -0.100 0.000 2.360 360 D HA 0.151 4.792 4.640 0.001 0.000 0.210 360 D C 0.380 176.497 176.300 -0.304 0.000 1.047 360 D CA 0.418 54.331 54.000 -0.145 0.000 0.854 360 D CB 0.847 41.592 40.800 -0.092 0.000 0.936 360 D HN 0.541 nan 8.370 nan 0.000 0.514 361 V N -0.349 119.344 119.914 -0.369 0.000 2.383 361 V HA 0.362 4.482 4.120 0.001 0.000 0.261 361 V C -2.850 172.985 176.094 -0.432 0.000 0.987 361 V CA -1.999 59.843 62.300 -0.763 0.000 0.853 361 V CB 1.055 32.275 31.823 -1.004 0.000 1.095 361 V HN -0.215 nan 8.190 nan 0.000 0.461 362 P HA 0.257 nan 4.420 nan 0.000 0.267 362 P C 1.174 178.514 177.300 0.067 0.000 1.205 362 P CA 1.749 64.833 63.100 -0.025 0.000 0.765 362 P CB 1.205 32.915 31.700 0.017 0.000 0.828 363 G N 2.514 111.375 108.800 0.101 0.000 2.205 363 G HA2 -0.309 3.652 3.960 0.001 0.000 0.261 363 G HA3 -0.309 3.652 3.960 0.001 0.000 0.261 363 G C 0.732 175.740 174.900 0.180 0.000 0.980 363 G CA 0.234 45.422 45.100 0.146 0.000 0.632 363 G HN 0.529 nan 8.290 nan 0.000 0.533 364 L N -0.832 120.469 121.223 0.130 0.000 2.007 364 L HA 0.038 4.379 4.340 0.001 0.000 0.205 364 L C 2.418 179.492 176.870 0.340 0.000 1.073 364 L CA 2.519 57.398 54.840 0.065 0.000 0.744 364 L CB -0.561 41.327 42.059 -0.286 0.000 0.898 364 L HN 0.400 nan 8.230 nan 0.000 0.435 365 Y N 1.257 121.767 120.300 0.349 0.000 2.114 365 Y HA -0.366 4.185 4.550 0.000 0.000 0.282 365 Y C 2.328 178.586 175.900 0.596 0.000 1.165 365 Y CA 2.285 60.745 58.100 0.599 0.000 1.148 365 Y CB -0.261 38.517 38.460 0.529 0.000 0.972 365 Y HN 0.341 nan 8.280 nan 0.000 0.504 366 D N -0.101 120.615 120.400 0.527 0.000 2.078 366 D HA -0.183 4.457 4.640 0.001 0.000 0.193 366 D C 2.364 178.864 176.300 0.332 0.000 0.990 366 D CA 1.671 55.915 54.000 0.407 0.000 0.827 366 D CB -0.895 40.091 40.800 0.310 0.000 0.975 366 D HN 0.448 nan 8.370 nan 0.000 0.451 367 A N 0.561 123.564 122.820 0.305 0.000 1.958 367 A HA -0.239 4.082 4.320 0.001 0.000 0.221 367 A C 2.112 179.860 177.584 0.272 0.000 1.178 367 A CA 1.304 53.509 52.037 0.281 0.000 0.642 367 A CB -1.105 18.072 19.000 0.294 0.000 0.816 367 A HN 0.256 nan 8.150 nan 0.000 0.453 368 F N -0.193 119.815 119.950 0.097 0.000 2.120 368 F HA -0.206 4.322 4.527 0.000 0.000 0.300 368 F C 1.780 177.273 175.800 -0.512 0.000 1.095 368 F CA 1.864 59.631 58.000 -0.389 0.000 1.249 368 F CB -0.484 38.287 39.000 -0.381 0.000 0.995 368 F HN 0.249 nan 8.300 nan 0.000 0.480 369 F N -0.549 119.325 119.950 -0.128 0.000 2.262 369 F HA 0.186 4.714 4.527 0.001 0.000 0.292 369 F C 2.443 178.172 175.800 -0.119 0.000 1.081 369 F CA 0.943 58.807 58.000 -0.227 0.000 1.355 369 F CB -1.247 37.650 39.000 -0.171 0.000 1.069 369 F HN -0.022 nan 8.300 nan 0.000 0.506 370 A N -1.975 120.934 122.820 0.149 0.000 2.044 370 A HA 0.051 4.372 4.320 0.001 0.000 0.213 370 A C 0.219 177.844 177.584 0.069 0.000 1.169 370 A CA 0.865 52.965 52.037 0.104 0.000 0.724 370 A CB 0.032 19.101 19.000 0.115 0.000 0.840 370 A HN 0.209 nan 8.150 nan 0.000 0.463 371 D N -0.971 119.474 120.400 0.075 0.000 2.319 371 D HA 0.174 4.814 4.640 0.001 0.000 0.237 371 D C 0.160 176.519 176.300 0.100 0.000 1.353 371 D CA -0.255 53.791 54.000 0.078 0.000 0.992 371 D CB 0.872 41.727 40.800 0.092 0.000 1.368 371 D HN -0.023 nan 8.370 nan 0.000 0.564 372 Q N 1.490 121.328 119.800 0.063 0.000 2.079 372 Q HA -0.129 4.212 4.340 0.001 0.000 0.200 372 Q C 1.783 177.875 176.000 0.153 0.000 0.974 372 Q CA 1.190 57.041 55.803 0.081 0.000 0.840 372 Q CB 0.136 28.891 28.738 0.028 0.000 0.898 372 Q HN 0.699 nan 8.270 nan 0.000 0.430 373 E N 0.878 121.140 120.200 0.102 0.000 2.085 373 E HA -0.243 4.107 4.350 0.001 0.000 0.194 373 E C 1.764 178.419 176.600 0.091 0.000 0.994 373 E CA 1.605 58.058 56.400 0.088 0.000 0.801 373 E CB -0.248 29.484 29.700 0.054 0.000 0.743 373 E HN 0.340 nan 8.360 nan 0.000 0.453 374 E N 0.767 121.026 120.200 0.097 0.000 2.150 374 E HA -0.146 4.205 4.350 0.001 0.000 0.193 374 E C 1.871 178.533 176.600 0.103 0.000 0.985 374 E CA 0.808 57.255 56.400 0.079 0.000 0.814 374 E CB -0.503 29.244 29.700 0.079 0.000 0.752 374 E HN 0.341 nan 8.360 nan 0.000 0.466 375 F N 1.499 121.465 119.950 0.026 0.000 2.022 375 F HA -0.141 4.387 4.527 0.000 0.000 0.293 375 F C 2.271 178.088 175.800 0.029 0.000 1.142 375 F CA 2.159 60.175 58.000 0.028 0.000 1.177 375 F CB -0.769 38.259 39.000 0.047 0.000 0.982 375 F HN 0.120 nan 8.300 nan 0.000 0.473 376 E N 0.754 121.104 120.200 0.251 0.000 2.196 376 E HA -0.382 3.968 4.350 0.001 0.000 0.222 376 E C 2.353 178.949 176.600 -0.006 0.000 1.072 376 E CA 2.625 59.096 56.400 0.118 0.000 0.902 376 E CB -0.619 29.172 29.700 0.152 0.000 0.780 376 E HN 0.502 nan 8.360 nan 0.000 0.467 377 R N -0.429 120.055 120.500 -0.027 0.000 2.062 377 R HA -0.062 4.278 4.340 0.001 0.000 0.231 377 R C 2.676 178.870 176.300 -0.177 0.000 1.136 377 R CA 1.594 57.648 56.100 -0.077 0.000 0.948 377 R CB -0.355 29.910 30.300 -0.058 0.000 0.845 377 R HN 0.352 nan 8.270 nan 0.000 0.430 378 L N -0.322 120.766 121.223 -0.224 0.000 2.093 378 L HA -0.183 4.157 4.340 0.001 0.000 0.208 378 L C 2.328 178.951 176.870 -0.412 0.000 1.085 378 L CA 1.069 55.682 54.840 -0.378 0.000 0.755 378 L CB -0.511 41.423 42.059 -0.207 0.000 0.904 378 L HN 0.261 nan 8.230 nan 0.000 0.435 379 Y N 1.079 121.058 120.300 -0.535 0.000 2.089 379 Y HA -0.334 4.217 4.550 0.000 0.000 0.282 379 Y C 3.013 178.771 175.900 -0.235 0.000 1.139 379 Y CA 2.288 60.069 58.100 -0.532 0.000 1.123 379 Y CB -0.625 37.388 38.460 -0.745 0.000 0.980 379 Y HN 0.318 nan 8.280 nan 0.000 0.493 380 T N -1.476 113.019 114.554 -0.098 0.000 2.746 380 T HA -0.260 4.090 4.350 0.001 0.000 0.267 380 T C 1.924 176.526 174.700 -0.163 0.000 1.039 380 T CA 1.723 63.768 62.100 -0.091 0.000 1.142 380 T CB -0.567 68.291 68.868 -0.016 0.000 0.866 380 T HN 0.286 nan 8.240 nan 0.000 0.444 381 K N 0.603 120.852 120.400 -0.251 0.000 2.015 381 K HA -0.209 4.111 4.320 0.001 0.000 0.216 381 K C 2.043 178.453 176.600 -0.316 0.000 1.052 381 K CA 1.907 57.991 56.287 -0.339 0.000 0.937 381 K CB -0.858 31.327 32.500 -0.524 0.000 0.719 381 K HN 0.484 nan 8.250 nan 0.000 0.446 382 Y N 1.382 121.540 120.300 -0.237 0.000 2.293 382 Y HA -0.045 4.506 4.550 0.000 0.000 0.291 382 Y C 2.058 177.941 175.900 -0.028 0.000 1.137 382 Y CA 1.314 59.283 58.100 -0.219 0.000 1.202 382 Y CB -0.292 37.841 38.460 -0.544 0.000 0.990 382 Y HN 0.277 nan 8.280 nan 0.000 0.537 383 E N 0.032 120.281 120.200 0.082 0.000 2.118 383 E HA -0.246 4.104 4.350 0.001 0.000 0.195 383 E C 1.961 178.563 176.600 0.003 0.000 0.992 383 E CA 1.349 57.770 56.400 0.035 0.000 0.804 383 E CB -0.092 29.543 29.700 -0.109 0.000 0.741 383 E HN 0.288 nan 8.360 nan 0.000 0.458 384 K N 1.079 121.467 120.400 -0.020 0.000 2.062 384 K HA -0.073 4.248 4.320 0.001 0.000 0.205 384 K C 0.599 177.196 176.600 -0.004 0.000 1.051 384 K CA 0.514 56.786 56.287 -0.025 0.000 0.941 384 K CB -0.015 32.454 32.500 -0.051 0.000 0.719 384 K HN -0.026 nan 8.250 nan 0.000 0.440 385 D N 0.497 120.909 120.400 0.019 0.000 2.458 385 D HA -0.073 4.567 4.640 0.001 0.000 0.243 385 D C 0.099 176.427 176.300 0.045 0.000 1.146 385 D CA 0.497 54.521 54.000 0.039 0.000 0.877 385 D CB 0.839 41.693 40.800 0.089 0.000 1.176 385 D HN 0.069 nan 8.370 nan 0.000 0.461 386 D N 1.313 121.727 120.400 0.023 0.000 2.301 386 D HA -0.099 4.542 4.640 0.001 0.000 0.206 386 D C 1.811 178.118 176.300 0.012 0.000 0.979 386 D CA 0.526 54.532 54.000 0.011 0.000 0.874 386 D CB 0.280 41.080 40.800 0.000 0.000 0.968 386 D HN 0.518 nan 8.370 nan 0.000 0.510 387 S N 0.503 116.213 115.700 0.017 0.000 2.402 387 S HA -0.072 4.398 4.470 0.001 0.000 0.229 387 S C 1.226 175.835 174.600 0.015 0.000 1.021 387 S CA 0.175 58.382 58.200 0.012 0.000 0.974 387 S CB -0.168 63.039 63.200 0.012 0.000 0.800 387 S HN 0.038 nan 8.310 nan 0.000 0.484 388 I N 3.327 123.920 120.570 0.038 0.000 2.662 388 I HA 0.152 4.322 4.170 0.001 0.000 0.285 388 I C 0.896 177.035 176.117 0.037 0.000 1.161 388 I CA 0.167 61.495 61.300 0.047 0.000 1.415 388 I CB -0.385 37.685 38.000 0.117 0.000 1.385 388 I HN 0.356 nan 8.210 nan 0.000 0.552 389 R N 7.695 128.203 120.500 0.013 0.000 2.491 389 R HA 0.314 4.655 4.340 0.001 0.000 0.283 389 R C -0.467 175.816 176.300 -0.029 0.000 1.072 389 R CA 0.015 56.104 56.100 -0.018 0.000 1.048 389 R CB 0.621 30.902 30.300 -0.031 0.000 0.983 389 R HN 0.871 nan 8.270 nan 0.000 0.450 390 K N 1.974 122.299 120.400 -0.125 0.000 2.658 390 K HA 0.217 4.538 4.320 0.001 0.000 0.293 390 K C -1.889 174.557 176.600 -0.257 0.000 1.026 390 K CA -1.128 54.968 56.287 -0.319 0.000 0.871 390 K CB 1.366 33.588 32.500 -0.464 0.000 1.524 390 K HN 0.509 nan 8.250 nan 0.000 0.400 391 Q N 1.460 121.072 119.800 -0.313 0.000 2.313 391 Q HA 0.264 4.604 4.340 0.001 0.000 0.255 391 Q C -1.482 174.407 176.000 -0.185 0.000 0.944 391 Q CA -0.694 54.993 55.803 -0.194 0.000 0.881 391 Q CB 1.918 30.577 28.738 -0.131 0.000 1.375 391 Q HN 0.696 nan 8.270 nan 0.000 0.422 392 R N 1.218 121.637 120.500 -0.135 0.000 2.459 392 R HA 0.669 5.010 4.340 0.001 0.000 0.281 392 R C 0.031 176.303 176.300 -0.046 0.000 1.050 392 R CA -0.567 55.478 56.100 -0.092 0.000 1.055 392 R CB 1.167 31.423 30.300 -0.074 0.000 1.045 392 R HN 0.409 nan 8.270 nan 0.000 0.495 393 V N -1.599 118.307 119.914 -0.013 0.000 3.078 393 V HA 0.492 4.613 4.120 0.001 0.000 0.311 393 V C -0.643 175.472 176.094 0.035 0.000 1.138 393 V CA -1.503 60.801 62.300 0.007 0.000 1.007 393 V CB 1.986 33.814 31.823 0.009 0.000 1.045 393 V HN 0.501 nan 8.190 nan 0.000 0.432 394 K N 1.602 122.024 120.400 0.037 0.000 2.401 394 K HA 0.630 4.950 4.320 0.001 0.000 0.278 394 K C 1.050 177.704 176.600 0.090 0.000 1.018 394 K CA 0.794 57.114 56.287 0.056 0.000 0.981 394 K CB 1.176 33.702 32.500 0.043 0.000 0.933 394 K HN 0.960 nan 8.250 nan 0.000 0.477 395 A N 3.410 126.304 122.820 0.123 0.000 1.968 395 A HA -0.095 4.226 4.320 0.001 0.000 0.217 395 A C 1.722 179.470 177.584 0.272 0.000 1.169 395 A CA 1.573 53.738 52.037 0.214 0.000 0.638 395 A CB -0.645 18.487 19.000 0.220 0.000 0.812 395 A HN 0.576 nan 8.150 nan 0.000 0.446 396 V N -0.977 119.031 119.914 0.156 0.000 2.392 396 V HA -0.280 3.840 4.120 0.001 0.000 0.249 396 V C 2.126 178.307 176.094 0.145 0.000 1.059 396 V CA 2.281 64.661 62.300 0.133 0.000 1.051 396 V CB -1.145 30.719 31.823 0.068 0.000 0.658 396 V HN 0.588 nan 8.190 nan 0.000 0.455 397 E N 0.060 120.325 120.200 0.107 0.000 2.072 397 E HA -0.134 4.217 4.350 0.001 0.000 0.191 397 E C 2.059 178.701 176.600 0.071 0.000 0.985 397 E CA 1.235 57.678 56.400 0.072 0.000 0.801 397 E CB -0.170 29.557 29.700 0.045 0.000 0.750 397 E HN 0.474 nan 8.360 nan 0.000 0.452 398 L N -0.257 121.013 121.223 0.077 0.000 2.072 398 L HA -0.069 4.271 4.340 0.001 0.000 0.205 398 L C 1.778 178.634 176.870 -0.023 0.000 1.079 398 L CA 1.521 56.364 54.840 0.005 0.000 0.752 398 L CB -0.387 41.652 42.059 -0.032 0.000 0.906 398 L HN 0.086 nan 8.230 nan 0.000 0.436 399 F N -0.538 119.420 119.950 0.012 0.000 2.126 399 F HA -0.224 4.303 4.527 0.001 0.000 0.299 399 F C 2.588 178.397 175.800 0.015 0.000 1.096 399 F CA 1.780 59.788 58.000 0.012 0.000 1.255 399 F CB -0.638 38.372 39.000 0.017 0.000 0.997 399 F HN 0.053 nan 8.300 nan 0.000 0.479 400 S N 0.024 115.836 115.700 0.186 0.000 2.371 400 S HA -0.140 4.330 4.470 0.001 0.000 0.224 400 S C 1.920 176.551 174.600 0.051 0.000 1.029 400 S CA 0.857 59.116 58.200 0.099 0.000 0.978 400 S CB -0.590 62.651 63.200 0.068 0.000 0.833 400 S HN 0.242 nan 8.310 nan 0.000 0.466 401 L N 2.180 123.424 121.223 0.035 0.000 1.989 401 L HA -0.054 4.286 4.340 0.001 0.000 0.211 401 L C 2.260 179.131 176.870 0.001 0.000 1.071 401 L CA 1.930 56.774 54.840 0.006 0.000 0.749 401 L CB -0.794 41.262 42.059 -0.006 0.000 0.890 401 L HN 0.361 nan 8.230 nan 0.000 0.431 402 M N -1.659 117.938 119.600 -0.004 0.000 2.082 402 M HA -0.278 4.202 4.480 0.001 0.000 0.258 402 M C 2.024 178.336 176.300 0.019 0.000 1.069 402 M CA 2.113 57.408 55.300 -0.008 0.000 1.102 402 M CB -0.057 32.509 32.600 -0.056 0.000 1.336 402 M HN 0.309 nan 8.290 nan 0.000 0.404 403 M N -0.339 119.289 119.600 0.047 0.000 2.200 403 M HA -0.159 4.322 4.480 0.001 0.000 0.265 403 M C 2.064 178.363 176.300 -0.002 0.000 1.066 403 M CA 1.585 56.910 55.300 0.042 0.000 1.127 403 M CB -1.451 31.190 32.600 0.068 0.000 1.379 403 M HN 0.476 nan 8.290 nan 0.000 0.420 404 Q N 0.485 120.282 119.800 -0.005 0.000 2.002 404 Q HA -0.204 4.136 4.340 0.001 0.000 0.204 404 Q C 1.950 177.938 176.000 -0.021 0.000 0.988 404 Q CA 1.616 57.406 55.803 -0.022 0.000 0.843 404 Q CB 0.148 28.877 28.738 -0.015 0.000 0.908 404 Q HN 0.346 nan 8.270 nan 0.000 0.420 405 E N 0.203 120.395 120.200 -0.014 0.000 2.058 405 E HA -0.238 4.112 4.350 0.001 0.000 0.194 405 E C 1.910 178.502 176.600 -0.014 0.000 0.997 405 E CA 1.136 57.528 56.400 -0.014 0.000 0.801 405 E CB -0.346 29.346 29.700 -0.013 0.000 0.746 405 E HN 0.334 nan 8.360 nan 0.000 0.450 406 R N 0.544 121.041 120.500 -0.006 0.000 2.096 406 R HA -0.165 4.175 4.340 0.001 0.000 0.240 406 R C 2.223 178.524 176.300 0.002 0.000 1.139 406 R CA 1.754 57.855 56.100 0.003 0.000 0.952 406 R CB -0.220 30.101 30.300 0.036 0.000 0.854 406 R HN 0.159 nan 8.270 nan 0.000 0.436 407 A N -0.143 122.664 122.820 -0.022 0.000 1.898 407 A HA -0.157 4.163 4.320 0.001 0.000 0.216 407 A C 2.186 179.760 177.584 -0.016 0.000 1.181 407 A CA 1.794 53.807 52.037 -0.040 0.000 0.620 407 A CB -0.824 18.117 19.000 -0.099 0.000 0.819 407 A HN 0.520 nan 8.150 nan 0.000 0.442 408 S N -0.408 115.280 115.700 -0.020 0.000 2.370 408 S HA -0.179 4.292 4.470 0.001 0.000 0.226 408 S C 2.058 176.657 174.600 -0.002 0.000 1.033 408 S CA 2.672 60.865 58.200 -0.012 0.000 1.011 408 S CB -0.585 62.605 63.200 -0.017 0.000 0.852 408 S HN 0.813 nan 8.310 nan 0.000 0.457 409 T N -3.826 110.727 114.554 -0.003 0.000 3.023 409 T HA 0.449 4.799 4.350 0.001 0.000 0.249 409 T C 1.787 176.495 174.700 0.012 0.000 1.050 409 T CA 1.046 63.145 62.100 -0.002 0.000 1.088 409 T CB -0.283 68.575 68.868 -0.016 0.000 0.946 409 T HN 1.063 nan 8.240 nan 0.000 0.480 410 G N 2.315 111.128 108.800 0.022 0.000 2.212 410 G HA2 -0.268 3.692 3.960 0.001 0.000 0.266 410 G HA3 -0.268 3.692 3.960 0.001 0.000 0.266 410 G C 0.847 175.769 174.900 0.036 0.000 0.978 410 G CA 0.270 45.408 45.100 0.064 0.000 0.632 410 G HN 0.553 nan 8.290 nan 0.000 0.537 411 R N -0.108 120.333 120.500 -0.099 0.000 2.652 411 R HA 0.406 4.747 4.340 0.001 0.000 0.372 411 R C 0.164 176.042 176.300 -0.702 0.000 1.104 411 R CA -0.270 55.608 56.100 -0.369 0.000 1.072 411 R CB 0.302 30.485 30.300 -0.196 0.000 1.367 411 R HN 0.387 nan 8.270 nan 0.000 0.577 412 I N 2.270 122.580 120.570 -0.434 0.000 2.330 412 I HA 0.272 4.443 4.170 0.001 0.000 0.286 412 I C -0.402 175.579 176.117 -0.227 0.000 1.025 412 I CA -1.080 60.031 61.300 -0.315 0.000 1.197 412 I CB 0.375 38.326 38.000 -0.082 0.000 1.358 412 I HN -0.034 nan 8.210 nan 0.000 0.467 413 Y N 6.146 126.448 120.300 0.003 0.000 2.453 413 Y HA 0.551 5.101 4.550 0.001 0.000 0.326 413 Y C 0.251 176.172 175.900 0.035 0.000 1.186 413 Y CA -1.348 56.769 58.100 0.027 0.000 1.200 413 Y CB 0.985 39.454 38.460 0.015 0.000 1.247 413 Y HN 0.296 nan 8.280 nan 0.000 0.482 414 I N 1.247 121.986 120.570 0.280 0.000 2.412 414 I HA 0.287 4.457 4.170 0.001 0.000 0.296 414 I C -0.496 175.774 176.117 0.255 0.000 0.987 414 I CA -0.570 60.865 61.300 0.226 0.000 1.180 414 I CB 1.701 39.850 38.000 0.249 0.000 1.340 414 I HN 0.543 nan 8.210 nan 0.000 0.455 415 Q N 5.609 125.555 119.800 0.243 0.000 2.357 415 Q HA 0.376 4.716 4.340 0.001 0.000 0.266 415 Q C -1.118 174.996 176.000 0.189 0.000 1.021 415 Q CA -0.690 55.256 55.803 0.239 0.000 0.784 415 Q CB 0.883 29.790 28.738 0.282 0.000 1.243 415 Q HN 0.493 nan 8.270 nan 0.000 0.465 416 N N 4.432 123.247 118.700 0.192 0.000 2.671 416 N HA 0.008 4.748 4.740 0.001 0.000 0.274 416 N C 1.015 176.547 175.510 0.038 0.000 1.188 416 N CA 0.118 53.259 53.050 0.151 0.000 1.065 416 N CB 1.171 39.755 38.487 0.162 0.000 1.415 416 N HN 0.604 nan 8.380 nan 0.000 0.511 417 V N -0.845 119.036 119.914 -0.056 0.000 2.913 417 V HA -0.183 3.937 4.120 0.001 0.000 0.260 417 V C 1.505 177.512 176.094 -0.145 0.000 1.098 417 V CA 1.419 63.652 62.300 -0.112 0.000 1.121 417 V CB -0.322 31.311 31.823 -0.315 0.000 0.714 417 V HN 0.340 nan 8.190 nan 0.000 0.487 418 D N -0.243 120.048 120.400 -0.182 0.000 2.120 418 D HA -0.197 4.443 4.640 0.001 0.000 0.202 418 D C 1.935 178.255 176.300 0.033 0.000 0.972 418 D CA 1.732 55.666 54.000 -0.110 0.000 0.837 418 D CB -0.879 39.863 40.800 -0.097 0.000 0.989 418 D HN 0.494 nan 8.370 nan 0.000 0.469 419 H N 0.001 119.059 119.070 -0.020 0.000 2.457 419 H HA 0.023 4.579 4.556 0.001 0.000 0.297 419 H C 2.030 177.372 175.328 0.023 0.000 1.092 419 H CA 0.446 56.471 56.048 -0.037 0.000 1.309 419 H CB -0.688 29.026 29.762 -0.080 0.000 1.382 419 H HN 0.291 nan 8.280 nan 0.000 0.535 420 C N 0.295 119.683 119.300 0.147 0.000 2.481 420 C HA 0.040 4.500 4.460 0.001 0.000 0.275 420 C C 2.049 177.092 174.990 0.087 0.000 1.419 420 C CA 0.354 59.435 59.018 0.105 0.000 1.773 420 C CB -0.350 27.436 27.740 0.077 0.000 1.862 420 C HN 0.607 nan 8.230 nan 0.000 0.530 421 N N -0.507 118.241 118.700 0.080 0.000 2.257 421 N HA -0.034 4.706 4.740 0.001 0.000 0.200 421 N C 1.711 177.254 175.510 0.056 0.000 1.163 421 N CA 1.114 54.205 53.050 0.067 0.000 0.891 421 N CB 0.045 38.568 38.487 0.060 0.000 1.067 421 N HN 0.619 nan 8.380 nan 0.000 0.497 422 T N -2.300 112.294 114.554 0.067 0.000 3.057 422 T HA 0.009 4.359 4.350 0.001 0.000 0.254 422 T C 0.323 175.070 174.700 0.079 0.000 1.094 422 T CA 0.643 62.773 62.100 0.050 0.000 1.088 422 T CB -0.061 68.829 68.868 0.037 0.000 0.934 422 T HN 0.017 nan 8.240 nan 0.000 0.497 423 H N 1.131 120.177 119.070 -0.040 0.000 2.530 423 H HA 0.691 5.248 4.556 0.001 0.000 0.246 423 H C -1.166 174.132 175.328 -0.049 0.000 1.346 423 H CA -0.860 55.144 56.048 -0.073 0.000 1.424 423 H CB 0.303 30.008 29.762 -0.094 0.000 1.445 423 H HN 0.273 nan 8.280 nan 0.000 0.511 424 S N 4.076 119.691 115.700 -0.143 0.000 2.535 424 S HA 0.285 4.755 4.470 0.001 0.000 0.272 424 S C -2.319 172.131 174.600 -0.250 0.000 1.149 424 S CA -1.174 56.948 58.200 -0.131 0.000 0.888 424 S CB 1.496 64.717 63.200 0.034 0.000 1.110 424 S HN 0.310 nan 8.310 nan 0.000 0.463 425 P HA 0.086 nan 4.420 nan 0.000 0.225 425 P C -0.087 176.791 177.300 -0.705 0.000 1.148 425 P CA 0.818 63.567 63.100 -0.585 0.000 0.779 425 P CB -0.193 31.170 31.700 -0.562 0.000 0.780 426 F N 0.533 120.444 119.950 -0.066 0.000 2.397 426 F HA 0.346 4.873 4.527 0.000 0.000 0.331 426 F C 0.947 176.710 175.800 -0.062 0.000 1.090 426 F CA -1.231 56.739 58.000 -0.050 0.000 1.065 426 F CB 0.357 39.343 39.000 -0.023 0.000 1.184 426 F HN -0.297 nan 8.300 nan 0.000 0.499 427 D N 4.077 124.558 120.400 0.135 0.000 2.380 427 D HA 0.209 4.849 4.640 0.001 0.000 0.230 427 D C -1.697 174.643 176.300 0.067 0.000 1.154 427 D CA -2.687 51.345 54.000 0.054 0.000 0.859 427 D CB 1.263 42.073 40.800 0.016 0.000 1.045 427 D HN 0.118 nan 8.370 nan 0.000 0.495 428 P HA -0.118 nan 4.420 nan 0.000 0.225 428 P C 0.916 178.241 177.300 0.042 0.000 1.148 428 P CA 0.587 63.719 63.100 0.053 0.000 0.779 428 P CB 0.236 31.969 31.700 0.055 0.000 0.780 429 A N -0.713 122.127 122.820 0.034 0.000 2.066 429 A HA -0.004 4.316 4.320 0.001 0.000 0.218 429 A C 2.122 179.714 177.584 0.013 0.000 1.157 429 A CA 0.956 53.010 52.037 0.027 0.000 0.670 429 A CB -0.920 18.092 19.000 0.020 0.000 0.804 429 A HN 0.206 nan 8.150 nan 0.000 0.453 430 I N -2.881 117.693 120.570 0.006 0.000 3.971 430 I HA 0.263 4.433 4.170 0.001 0.000 0.303 430 I C 0.972 177.069 176.117 -0.033 0.000 1.233 430 I CA 0.750 62.038 61.300 -0.019 0.000 1.346 430 I CB 0.604 38.591 38.000 -0.022 0.000 1.273 430 I HN 0.165 nan 8.210 nan 0.000 0.448 431 A N 2.774 125.590 122.820 -0.007 0.000 3.300 431 A HA 0.464 4.784 4.320 0.001 0.000 0.300 431 A C -2.728 174.817 177.584 -0.066 0.000 1.099 431 A CA -0.930 51.077 52.037 -0.050 0.000 0.846 431 A CB -0.262 18.728 19.000 -0.017 0.000 1.255 431 A HN -0.102 nan 8.150 nan 0.000 0.519 432 P HA 0.256 nan 4.420 nan 0.000 0.275 432 P C -0.195 176.997 177.300 -0.180 0.000 1.228 432 P CA 0.120 63.178 63.100 -0.069 0.000 0.786 432 P CB 1.566 33.243 31.700 -0.038 0.000 0.927 433 V N 5.311 125.135 119.914 -0.149 0.000 2.348 433 V HA 0.265 4.385 4.120 0.001 0.000 0.270 433 V C 1.392 177.305 176.094 -0.302 0.000 1.037 433 V CA -0.037 62.139 62.300 -0.207 0.000 0.872 433 V CB 0.311 32.083 31.823 -0.085 0.000 1.002 433 V HN 0.526 nan 8.190 nan 0.000 0.464 434 R N 4.462 124.652 120.500 -0.517 0.000 2.659 434 R HA 0.334 4.674 4.340 0.001 0.000 0.418 434 R C 0.025 175.952 176.300 -0.621 0.000 1.076 434 R CA -0.152 55.305 56.100 -1.072 0.000 1.093 434 R CB 0.802 30.244 30.300 -1.429 0.000 1.400 434 R HN 0.903 nan 8.270 nan 0.000 0.583 435 Q N -1.345 118.186 119.800 -0.449 0.000 3.083 435 Q HA 0.239 4.579 4.340 0.001 0.000 0.310 435 Q C -1.903 173.674 176.000 -0.706 0.000 0.880 435 Q CA -0.625 54.770 55.803 -0.679 0.000 0.809 435 Q CB 1.107 29.499 28.738 -0.576 0.000 1.596 435 Q HN 0.002 nan 8.270 nan 0.000 0.487 436 S N -0.082 114.906 115.700 -1.186 0.000 2.806 436 S HA 0.639 5.110 4.470 0.001 0.000 0.306 436 S C -1.212 173.218 174.600 -0.282 0.000 1.167 436 S CA -0.104 57.774 58.200 -0.538 0.000 0.847 436 S CB 1.336 64.398 63.200 -0.229 0.000 1.216 436 S HN 0.830 nan 8.310 nan 0.000 0.532 437 N N 0.663 119.375 118.700 0.020 0.000 2.681 437 N HA 0.219 4.959 4.740 0.001 0.000 0.311 437 N C 1.137 176.770 175.510 0.206 0.000 1.303 437 N CA -0.571 52.538 53.050 0.098 0.000 0.926 437 N CB -0.582 37.921 38.487 0.027 0.000 1.136 437 N HN 0.506 nan 8.380 nan 0.000 0.592 438 L N 0.157 121.447 121.223 0.111 0.000 2.021 438 L HA -0.138 4.202 4.340 0.001 0.000 0.215 438 L C 1.638 178.529 176.870 0.034 0.000 1.074 438 L CA 1.955 56.843 54.840 0.080 0.000 0.760 438 L CB -0.511 41.574 42.059 0.044 0.000 0.889 438 L HN 0.728 nan 8.230 nan 0.000 0.433 439 C N -0.615 118.686 119.300 0.001 0.000 2.855 439 C HA 0.384 4.844 4.460 0.001 0.000 0.279 439 C C 1.058 175.988 174.990 -0.099 0.000 1.270 439 C CA -0.826 58.143 59.018 -0.082 0.000 1.702 439 C CB -0.673 27.046 27.740 -0.035 0.000 1.949 439 C HN 0.578 nan 8.230 nan 0.000 0.618 440 L N 1.894 123.111 121.223 -0.009 0.000 4.351 440 L HA -0.146 4.194 4.340 0.001 0.000 0.410 440 L C 1.608 178.494 176.870 0.027 0.000 1.150 440 L CA 1.477 56.336 54.840 0.032 0.000 0.961 440 L CB -1.719 40.308 42.059 -0.054 0.000 2.130 440 L HN 0.655 nan 8.230 nan 0.000 0.787 441 E N -0.770 119.443 120.200 0.023 0.000 2.511 441 E HA 0.128 4.479 4.350 0.001 0.000 0.209 441 E C 0.690 177.308 176.600 0.031 0.000 0.986 441 E CA -0.012 56.406 56.400 0.030 0.000 0.974 441 E CB 0.663 30.382 29.700 0.031 0.000 1.030 441 E HN 0.424 nan 8.360 nan 0.000 0.490 442 I N 1.939 122.519 120.570 0.018 0.000 2.437 442 I HA 0.575 4.745 4.170 0.001 0.000 0.298 442 I C -0.255 175.849 176.117 -0.022 0.000 0.984 442 I CA -1.183 60.122 61.300 0.008 0.000 1.214 442 I CB 1.245 39.243 38.000 -0.003 0.000 1.365 442 I HN 0.095 nan 8.210 nan 0.000 0.469 443 A N 7.912 130.729 122.820 -0.005 0.000 2.530 443 A HA 0.797 5.117 4.320 0.001 0.000 0.279 443 A C -1.126 176.448 177.584 -0.017 0.000 1.109 443 A CA -0.383 51.633 52.037 -0.035 0.000 0.763 443 A CB 0.921 19.923 19.000 0.004 0.000 1.257 443 A HN 0.618 nan 8.150 nan 0.000 0.424 444 L N 2.239 123.381 121.223 -0.135 0.000 2.465 444 L HA 0.542 4.882 4.340 0.001 0.000 0.257 444 L C -2.749 173.909 176.870 -0.354 0.000 0.988 444 L CA -2.271 52.419 54.840 -0.250 0.000 0.827 444 L CB 3.121 45.098 42.059 -0.137 0.000 1.397 444 L HN 0.386 nan 8.230 nan 0.000 0.410 445 P HA 0.305 nan 4.420 nan 0.000 0.275 445 P C -1.022 176.153 177.300 -0.209 0.000 1.228 445 P CA -0.192 62.685 63.100 -0.372 0.000 0.786 445 P CB 1.030 32.471 31.700 -0.431 0.000 0.927 446 T N -1.119 113.340 114.554 -0.159 0.000 2.868 446 T HA 0.708 5.058 4.350 0.001 0.000 0.306 446 T C -1.172 173.491 174.700 -0.063 0.000 1.224 446 T CA -0.991 61.052 62.100 -0.095 0.000 1.012 446 T CB 2.025 70.825 68.868 -0.114 0.000 1.221 446 T HN 0.362 nan 8.240 nan 0.000 0.499 447 K N 1.324 121.710 120.400 -0.023 0.000 2.501 447 K HA 0.626 4.946 4.320 0.001 0.000 0.252 447 K C -3.082 173.523 176.600 0.009 0.000 0.934 447 K CA -2.116 54.168 56.287 -0.005 0.000 0.797 447 K CB 1.964 34.466 32.500 0.003 0.000 1.270 447 K HN 0.315 nan 8.250 nan 0.000 0.431 448 P HA 0.002 nan 4.420 nan 0.000 0.267 448 P C -0.836 176.483 177.300 0.032 0.000 1.200 448 P CA -0.374 62.740 63.100 0.023 0.000 0.772 448 P CB 0.403 32.122 31.700 0.031 0.000 0.855 449 L N 2.485 123.730 121.223 0.038 0.000 2.454 449 L HA 0.311 4.652 4.340 0.001 0.000 0.256 449 L C 1.409 178.308 176.870 0.049 0.000 1.136 449 L CA 0.570 55.437 54.840 0.046 0.000 0.804 449 L CB -0.176 41.914 42.059 0.052 0.000 1.181 449 L HN 0.513 nan 8.230 nan 0.000 0.469 450 N N -1.616 117.114 118.700 0.049 0.000 2.232 450 N HA 0.204 4.944 4.740 0.001 0.000 0.240 450 N C -0.956 174.586 175.510 0.053 0.000 1.307 450 N CA -0.385 52.697 53.050 0.053 0.000 0.859 450 N CB 0.707 39.223 38.487 0.048 0.000 1.260 450 N HN 0.572 nan 8.380 nan 0.000 0.501 451 D N -0.160 120.271 120.400 0.052 0.000 2.720 451 D HA -0.033 4.607 4.640 0.001 0.000 0.239 451 D C 0.892 177.222 176.300 0.051 0.000 1.218 451 D CA -0.527 53.504 54.000 0.051 0.000 0.748 451 D CB 1.840 42.666 40.800 0.044 0.000 1.387 451 D HN -0.134 nan 8.370 nan 0.000 0.438 452 V N 1.962 121.906 119.914 0.050 0.000 2.439 452 V HA -0.210 3.910 4.120 0.001 0.000 0.253 452 V C 1.704 177.824 176.094 0.043 0.000 1.074 452 V CA 1.678 64.006 62.300 0.047 0.000 1.076 452 V CB -0.630 31.215 31.823 0.037 0.000 0.664 452 V HN 0.538 nan 8.190 nan 0.000 0.461 453 N N -0.853 117.870 118.700 0.038 0.000 2.282 453 N HA 0.046 4.786 4.740 0.001 0.000 0.185 453 N C 0.482 176.016 175.510 0.038 0.000 1.099 453 N CA 0.100 53.171 53.050 0.035 0.000 0.878 453 N CB -0.117 38.387 38.487 0.027 0.000 0.993 453 N HN 0.503 nan 8.380 nan 0.000 0.481 454 D N 2.245 122.670 120.400 0.042 0.000 3.061 454 D HA -0.133 4.507 4.640 0.001 0.000 0.226 454 D C 0.935 177.263 176.300 0.047 0.000 1.168 454 D CA 0.676 54.702 54.000 0.043 0.000 0.822 454 D CB 0.539 41.366 40.800 0.044 0.000 1.152 454 D HN 0.087 nan 8.370 nan 0.000 0.555 455 E N 2.895 123.121 120.200 0.044 0.000 2.478 455 E HA -0.044 4.307 4.350 0.001 0.000 0.194 455 E C 0.495 177.131 176.600 0.060 0.000 1.045 455 E CA 0.208 56.638 56.400 0.050 0.000 0.868 455 E CB 0.160 29.886 29.700 0.043 0.000 0.885 455 E HN 0.479 nan 8.360 nan 0.000 0.505 456 N N 0.510 119.241 118.700 0.051 0.000 2.236 456 N HA 0.043 4.783 4.740 0.001 0.000 0.196 456 N C 0.712 176.252 175.510 0.049 0.000 1.114 456 N CA 0.171 53.250 53.050 0.048 0.000 0.859 456 N CB 0.636 39.141 38.487 0.030 0.000 0.982 456 N HN 0.010 nan 8.380 nan 0.000 0.493 457 G N 0.104 108.937 108.800 0.055 0.000 2.580 457 G HA2 0.348 4.309 3.960 0.001 0.000 0.278 457 G HA3 0.348 4.309 3.960 0.001 0.000 0.278 457 G C -0.642 174.305 174.900 0.077 0.000 1.212 457 G CA -0.199 44.934 45.100 0.055 0.000 0.939 457 G HN 0.123 nan 8.290 nan 0.000 0.513 458 E N -0.467 119.773 120.200 0.067 0.000 2.313 458 E HA 0.300 4.651 4.350 0.001 0.000 0.280 458 E C -1.381 175.243 176.600 0.040 0.000 0.898 458 E CA -0.529 55.921 56.400 0.084 0.000 0.803 458 E CB 1.461 31.238 29.700 0.128 0.000 1.286 458 E HN 0.312 nan 8.360 nan 0.000 0.401 459 I N 3.142 123.735 120.570 0.039 0.000 2.359 459 I HA 0.420 4.591 4.170 0.001 0.000 0.294 459 I C 0.284 176.393 176.117 -0.014 0.000 0.987 459 I CA -0.363 60.941 61.300 0.006 0.000 1.225 459 I CB 1.658 39.679 38.000 0.035 0.000 1.366 459 I HN 0.573 nan 8.210 nan 0.000 0.466 460 A N 7.791 130.580 122.820 -0.052 0.000 2.363 460 A HA 0.749 5.070 4.320 0.001 0.000 0.270 460 A C -0.562 176.982 177.584 -0.066 0.000 1.121 460 A CA -0.159 51.843 52.037 -0.058 0.000 0.800 460 A CB 0.314 19.261 19.000 -0.089 0.000 1.052 460 A HN 0.688 nan 8.150 nan 0.000 0.493 461 L N 1.057 122.260 121.223 -0.033 0.000 2.333 461 L HA 0.691 5.031 4.340 0.001 0.000 0.263 461 L C -0.446 176.424 176.870 -0.000 0.000 1.014 461 L CA -0.688 54.132 54.840 -0.032 0.000 0.820 461 L CB 2.231 44.306 42.059 0.027 0.000 1.352 461 L HN 0.833 nan 8.230 nan 0.000 0.421 462 C N 0.217 119.516 119.300 -0.001 0.000 3.173 462 C HA 0.844 5.304 4.460 0.001 0.000 0.310 462 C C -0.704 174.299 174.990 0.022 0.000 1.306 462 C CA -0.095 58.934 59.018 0.020 0.000 1.426 462 C CB 2.108 29.860 27.740 0.020 0.000 1.800 462 C HN 0.879 nan 8.230 nan 0.000 0.470 463 T N 4.610 119.179 114.554 0.025 0.000 2.861 463 T HA 0.617 4.968 4.350 0.001 0.000 0.287 463 T C -0.756 173.950 174.700 0.009 0.000 1.003 463 T CA -0.461 61.651 62.100 0.021 0.000 0.977 463 T CB 1.128 70.008 68.868 0.020 0.000 0.996 463 T HN 0.653 nan 8.240 nan 0.000 0.448 464 L N 1.468 122.697 121.223 0.010 0.000 2.334 464 L HA 0.906 5.246 4.340 0.001 0.000 0.270 464 L C 0.211 177.070 176.870 -0.017 0.000 1.018 464 L CA -0.814 54.025 54.840 -0.000 0.000 0.811 464 L CB 1.813 43.880 42.059 0.014 0.000 1.271 464 L HN 0.684 nan 8.230 nan 0.000 0.443 465 S N -0.513 115.155 115.700 -0.052 0.000 2.755 465 S HA 0.886 5.356 4.470 0.001 0.000 0.286 465 S C -1.656 172.858 174.600 -0.144 0.000 1.207 465 S CA -0.238 57.912 58.200 -0.083 0.000 0.892 465 S CB 1.949 65.082 63.200 -0.113 0.000 1.240 465 S HN 0.887 nan 8.310 nan 0.000 0.525 466 A N 0.379 123.073 122.820 -0.209 0.000 2.594 466 A HA 0.706 5.027 4.320 0.001 0.000 0.296 466 A C -2.064 175.351 177.584 -0.282 0.000 1.056 466 A CA -0.690 51.196 52.037 -0.252 0.000 0.693 466 A CB 0.376 19.346 19.000 -0.051 0.000 1.278 466 A HN 0.449 nan 8.150 nan 0.000 0.408 467 F N 1.578 121.528 119.950 0.001 0.000 2.412 467 F HA 0.365 4.892 4.527 0.000 0.000 0.348 467 F C 1.102 176.907 175.800 0.007 0.000 1.102 467 F CA -0.485 57.504 58.000 -0.019 0.000 1.196 467 F CB 0.875 39.835 39.000 -0.067 0.000 1.144 467 F HN 0.576 nan 8.300 nan 0.000 0.541 468 N N 4.083 122.917 118.700 0.223 0.000 2.807 468 N HA 0.113 4.854 4.740 0.001 0.000 0.259 468 N C 0.984 176.589 175.510 0.159 0.000 1.149 468 N CA 0.138 53.297 53.050 0.183 0.000 1.042 468 N CB 0.075 38.671 38.487 0.182 0.000 1.367 468 N HN 0.705 nan 8.380 nan 0.000 0.516 469 L N 0.883 122.174 121.223 0.113 0.000 2.351 469 L HA -0.149 4.191 4.340 0.001 0.000 0.220 469 L C 1.919 178.906 176.870 0.195 0.000 1.127 469 L CA 1.398 56.230 54.840 -0.013 0.000 0.786 469 L CB -0.257 41.673 42.059 -0.216 0.000 0.914 469 L HN 0.504 nan 8.230 nan 0.000 0.443 470 G N -1.146 107.838 108.800 0.306 0.000 2.539 470 G HA2 0.009 3.969 3.960 0.001 0.000 0.215 470 G HA3 0.009 3.969 3.960 0.001 0.000 0.215 470 G C 1.626 176.736 174.900 0.349 0.000 1.141 470 G CA 0.544 45.921 45.100 0.462 0.000 0.806 470 G HN 0.422 nan 8.290 nan 0.000 0.533 471 A N 0.407 123.371 122.820 0.241 0.000 2.169 471 A HA 0.417 4.737 4.320 0.001 0.000 0.212 471 A C 1.235 178.883 177.584 0.106 0.000 1.153 471 A CA 0.086 52.227 52.037 0.172 0.000 0.756 471 A CB -0.455 18.642 19.000 0.163 0.000 0.813 471 A HN 0.623 nan 8.150 nan 0.000 0.471 472 I N -4.070 116.562 120.570 0.103 0.000 2.440 472 I HA 0.305 4.475 4.170 0.001 0.000 0.294 472 I C 0.817 176.971 176.117 0.062 0.000 0.995 472 I CA -0.606 60.722 61.300 0.048 0.000 1.306 472 I CB 0.756 38.756 38.000 -0.001 0.000 1.407 472 I HN 0.000 nan 8.210 nan 0.000 0.501 473 N N 3.702 122.414 118.700 0.019 0.000 2.173 473 N HA -0.075 4.665 4.740 0.001 0.000 0.184 473 N C -0.097 175.432 175.510 0.032 0.000 1.025 473 N CA 1.195 54.254 53.050 0.014 0.000 0.852 473 N CB 0.065 38.542 38.487 -0.016 0.000 0.998 473 N HN 0.953 nan 8.380 nan 0.000 0.427 474 N N -2.177 116.532 118.700 0.015 0.000 2.927 474 N HA 0.145 4.886 4.740 0.001 0.000 0.248 474 N C -0.097 175.411 175.510 -0.003 0.000 1.443 474 N CA -0.625 52.442 53.050 0.029 0.000 0.870 474 N CB 0.732 39.225 38.487 0.011 0.000 1.444 474 N HN -0.242 nan 8.380 nan 0.000 0.519 475 L N -0.548 120.689 121.223 0.025 0.000 2.549 475 L HA 0.008 4.348 4.340 0.001 0.000 0.229 475 L C 0.598 177.488 176.870 0.032 0.000 1.158 475 L CA 0.794 55.647 54.840 0.021 0.000 0.842 475 L CB -0.403 41.704 42.059 0.080 0.000 0.952 475 L HN 0.651 nan 8.230 nan 0.000 0.452 476 D N -0.279 120.122 120.400 0.002 0.000 2.348 476 D HA -0.085 4.555 4.640 0.001 0.000 0.211 476 D C 1.842 177.993 176.300 -0.250 0.000 0.998 476 D CA 0.465 54.423 54.000 -0.070 0.000 0.873 476 D CB 0.250 41.057 40.800 0.012 0.000 0.925 476 D HN 0.338 nan 8.370 nan 0.000 0.524 477 E N -0.035 120.046 120.200 -0.199 0.000 2.418 477 E HA -0.024 4.326 4.350 0.001 0.000 0.197 477 E C 1.705 178.111 176.600 -0.322 0.000 1.026 477 E CA 0.129 56.398 56.400 -0.217 0.000 0.862 477 E CB 0.166 29.779 29.700 -0.146 0.000 0.799 477 E HN 0.274 nan 8.360 nan 0.000 0.518 478 L N 0.324 121.280 121.223 -0.446 0.000 2.395 478 L HA -0.082 4.259 4.340 0.001 0.000 0.218 478 L C 2.272 178.731 176.870 -0.685 0.000 1.130 478 L CA 0.466 54.965 54.840 -0.567 0.000 0.826 478 L CB -0.055 41.699 42.059 -0.508 0.000 0.941 478 L HN 0.139 nan 8.230 nan 0.000 0.451 479 E N 0.659 120.227 120.200 -1.053 0.000 2.012 479 E HA -0.282 4.068 4.350 0.001 0.000 0.197 479 E C 1.894 178.298 176.600 -0.327 0.000 1.007 479 E CA 1.897 57.793 56.400 -0.840 0.000 0.816 479 E CB 0.162 29.413 29.700 -0.748 0.000 0.762 479 E HN 0.416 nan 8.360 nan 0.000 0.451 480 E N 0.661 120.706 120.200 -0.259 0.000 2.058 480 E HA -0.190 4.161 4.350 0.001 0.000 0.194 480 E C 2.189 178.758 176.600 -0.053 0.000 0.997 480 E CA 1.271 57.595 56.400 -0.126 0.000 0.801 480 E CB -0.249 29.376 29.700 -0.125 0.000 0.746 480 E HN 0.321 nan 8.360 nan 0.000 0.450 481 L N 0.435 121.610 121.223 -0.079 0.000 2.017 481 L HA -0.195 4.146 4.340 0.001 0.000 0.208 481 L C 2.522 179.539 176.870 0.245 0.000 1.073 481 L CA 1.172 56.050 54.840 0.063 0.000 0.745 481 L CB -0.745 41.327 42.059 0.022 0.000 0.894 481 L HN 0.173 nan 8.230 nan 0.000 0.432 482 A N 0.487 123.392 122.820 0.140 0.000 1.917 482 A HA -0.233 4.088 4.320 0.001 0.000 0.219 482 A C 2.221 179.915 177.584 0.183 0.000 1.182 482 A CA 1.977 54.165 52.037 0.252 0.000 0.633 482 A CB -0.778 18.287 19.000 0.109 0.000 0.819 482 A HN 0.386 nan 8.150 nan 0.000 0.448 483 I N -0.855 119.787 120.570 0.120 0.000 2.163 483 I HA -0.201 3.969 4.170 0.001 0.000 0.240 483 I C 2.265 178.513 176.117 0.219 0.000 1.081 483 I CA 0.677 62.062 61.300 0.142 0.000 1.353 483 I CB -0.329 37.746 38.000 0.125 0.000 1.054 483 I HN 0.197 nan 8.210 nan 0.000 0.407 484 L N 0.769 122.143 121.223 0.252 0.000 2.043 484 L HA -0.227 4.114 4.340 0.001 0.000 0.212 484 L C 2.681 179.825 176.870 0.457 0.000 1.075 484 L CA 2.395 57.473 54.840 0.396 0.000 0.752 484 L CB -1.700 40.562 42.059 0.339 0.000 0.891 484 L HN 0.277 nan 8.230 nan 0.000 0.432 485 A N -1.427 121.582 122.820 0.316 0.000 1.930 485 A HA -0.064 4.257 4.320 0.001 0.000 0.215 485 A C 2.362 180.013 177.584 0.112 0.000 1.176 485 A CA 1.267 53.442 52.037 0.230 0.000 0.632 485 A CB -0.576 18.466 19.000 0.071 0.000 0.819 485 A HN 0.211 nan 8.150 nan 0.000 0.445 486 V N 0.059 120.034 119.914 0.102 0.000 2.427 486 V HA -0.237 3.883 4.120 0.001 0.000 0.248 486 V C 2.595 178.683 176.094 -0.010 0.000 1.051 486 V CA 2.202 64.525 62.300 0.039 0.000 1.048 486 V CB -0.823 31.027 31.823 0.044 0.000 0.666 486 V HN 0.502 nan 8.190 nan 0.000 0.456 487 R N 0.100 120.604 120.500 0.007 0.000 2.115 487 R HA -0.013 4.328 4.340 0.001 0.000 0.226 487 R C 2.424 178.500 176.300 -0.374 0.000 1.100 487 R CA 1.307 57.344 56.100 -0.105 0.000 0.980 487 R CB -0.544 29.745 30.300 -0.018 0.000 0.875 487 R HN 0.533 nan 8.270 nan 0.000 0.445 488 A N 1.194 123.791 122.820 -0.373 0.000 1.858 488 A HA -0.120 4.200 4.320 0.001 0.000 0.216 488 A C 2.116 179.476 177.584 -0.373 0.000 1.190 488 A CA 1.135 52.806 52.037 -0.611 0.000 0.617 488 A CB -0.605 18.124 19.000 -0.452 0.000 0.827 488 A HN 0.171 nan 8.150 nan 0.000 0.443 489 L N -0.725 120.388 121.223 -0.183 0.000 2.083 489 L HA -0.204 4.136 4.340 0.001 0.000 0.209 489 L C 2.331 179.125 176.870 -0.126 0.000 1.083 489 L CA 1.785 56.551 54.840 -0.123 0.000 0.752 489 L CB -0.709 41.315 42.059 -0.058 0.000 0.899 489 L HN 0.413 nan 8.230 nan 0.000 0.433 490 D N 0.072 120.388 120.400 -0.140 0.000 2.097 490 D HA -0.140 4.500 4.640 0.001 0.000 0.197 490 D C 2.216 178.433 176.300 -0.137 0.000 0.984 490 D CA 1.359 55.293 54.000 -0.110 0.000 0.826 490 D CB 0.114 40.860 40.800 -0.089 0.000 0.973 490 D HN 0.222 nan 8.370 nan 0.000 0.460 491 A N 0.324 122.996 122.820 -0.246 0.000 1.873 491 A HA -0.196 4.125 4.320 0.001 0.000 0.218 491 A C 2.149 179.621 177.584 -0.186 0.000 1.193 491 A CA 1.563 53.441 52.037 -0.266 0.000 0.629 491 A CB -1.149 17.545 19.000 -0.511 0.000 0.826 491 A HN 0.371 nan 8.150 nan 0.000 0.447 492 L N 0.096 121.186 121.223 -0.221 0.000 2.034 492 L HA -0.241 4.099 4.340 0.001 0.000 0.217 492 L C 2.408 179.305 176.870 0.045 0.000 1.077 492 L CA 2.050 56.825 54.840 -0.108 0.000 0.769 492 L CB -0.674 41.295 42.059 -0.150 0.000 0.890 492 L HN 0.490 nan 8.230 nan 0.000 0.435 493 L N -0.899 120.347 121.223 0.038 0.000 2.129 493 L HA -0.261 4.080 4.340 0.001 0.000 0.212 493 L C 1.769 178.757 176.870 0.196 0.000 1.087 493 L CA 1.618 56.536 54.840 0.130 0.000 0.757 493 L CB -0.903 41.199 42.059 0.072 0.000 0.896 493 L HN 0.397 nan 8.230 nan 0.000 0.434 494 D N -1.955 118.518 120.400 0.123 0.000 2.354 494 D HA -0.092 4.548 4.640 0.001 0.000 0.209 494 D C 1.761 178.171 176.300 0.183 0.000 1.015 494 D CA 0.468 54.544 54.000 0.126 0.000 0.867 494 D CB 0.277 41.106 40.800 0.048 0.000 0.933 494 D HN 0.303 nan 8.370 nan 0.000 0.520 495 Y N 2.247 122.554 120.300 0.011 0.000 2.230 495 Y HA -0.004 4.546 4.550 0.000 0.000 0.294 495 Y C 1.269 177.205 175.900 0.060 0.000 1.120 495 Y CA 0.515 58.607 58.100 -0.013 0.000 1.129 495 Y CB -0.003 38.400 38.460 -0.094 0.000 1.040 495 Y HN -0.094 nan 8.280 nan 0.000 0.519 496 Q N 0.943 120.815 119.800 0.121 0.000 2.471 496 Q HA 0.147 4.487 4.340 0.001 0.000 0.223 496 Q C -0.775 175.111 176.000 -0.191 0.000 1.045 496 Q CA -0.532 55.294 55.803 0.039 0.000 0.956 496 Q CB 0.554 29.365 28.738 0.123 0.000 1.249 496 Q HN 0.138 nan 8.270 nan 0.000 0.549 497 D N -0.092 120.143 120.400 -0.275 0.000 2.354 497 D HA 0.219 4.860 4.640 0.001 0.000 0.247 497 D C -1.200 174.751 176.300 -0.582 0.000 1.138 497 D CA -0.002 53.828 54.000 -0.284 0.000 0.958 497 D CB 0.534 41.223 40.800 -0.185 0.000 1.144 497 D HN 0.451 nan 8.370 nan 0.000 0.458 498 Y N 0.598 120.892 120.300 -0.010 0.000 2.594 498 Y HA 0.225 4.775 4.550 0.001 0.000 0.338 498 Y C -1.304 174.560 175.900 -0.061 0.000 1.019 498 Y CA -1.328 56.776 58.100 0.007 0.000 1.306 498 Y CB 1.646 40.124 38.460 0.029 0.000 1.094 498 Y HN 0.209 nan 8.280 nan 0.000 0.534 499 P HA -0.004 nan 4.420 nan 0.000 0.230 499 P C -0.046 177.185 177.300 -0.115 0.000 1.158 499 P CA 1.232 64.222 63.100 -0.183 0.000 0.769 499 P CB 1.037 32.490 31.700 -0.412 0.000 0.807 500 I N 0.170 120.732 120.570 -0.014 0.000 2.512 500 I HA 0.206 4.376 4.170 0.001 0.000 0.287 500 I C -1.803 174.375 176.117 0.101 0.000 1.069 500 I CA -2.546 58.785 61.300 0.050 0.000 1.056 500 I CB 1.857 39.918 38.000 0.102 0.000 1.229 500 I HN -0.338 nan 8.210 nan 0.000 0.429 501 P HA -0.273 nan 4.420 nan 0.000 0.218 501 P C 1.570 178.903 177.300 0.054 0.000 1.165 501 P CA 2.315 65.445 63.100 0.049 0.000 0.922 501 P CB 0.282 32.005 31.700 0.039 0.000 0.794 502 A N -0.666 122.198 122.820 0.074 0.000 2.024 502 A HA -0.132 4.188 4.320 0.001 0.000 0.220 502 A C 2.323 179.959 177.584 0.086 0.000 1.164 502 A CA 2.204 54.289 52.037 0.079 0.000 0.643 502 A CB -1.444 17.604 19.000 0.081 0.000 0.806 502 A HN 0.258 nan 8.150 nan 0.000 0.451 503 A N -0.585 122.323 122.820 0.146 0.000 1.929 503 A HA -0.084 4.236 4.320 0.001 0.000 0.216 503 A C 2.133 179.780 177.584 0.105 0.000 1.176 503 A CA 1.643 53.793 52.037 0.188 0.000 0.628 503 A CB -0.357 18.881 19.000 0.397 0.000 0.816 503 A HN 0.464 nan 8.150 nan 0.000 0.444 504 K N -0.411 119.990 120.400 0.001 0.000 2.057 504 K HA -0.109 4.211 4.320 0.001 0.000 0.207 504 K C 2.248 178.654 176.600 -0.324 0.000 1.049 504 K CA 0.929 56.959 56.287 -0.428 0.000 0.931 504 K CB -0.189 32.074 32.500 -0.396 0.000 0.714 504 K HN 0.334 nan 8.250 nan 0.000 0.440 505 R N -0.514 119.895 120.500 -0.152 0.000 2.105 505 R HA -0.125 4.215 4.340 0.001 0.000 0.239 505 R C 2.277 178.415 176.300 -0.270 0.000 1.135 505 R CA 1.537 57.555 56.100 -0.136 0.000 0.967 505 R CB -0.416 29.919 30.300 0.058 0.000 0.861 505 R HN 0.337 nan 8.270 nan 0.000 0.442 506 G N 0.175 108.885 108.800 -0.149 0.000 2.395 506 G HA2 -0.152 3.808 3.960 0.001 0.000 0.214 506 G HA3 -0.152 3.808 3.960 0.001 0.000 0.214 506 G C 1.538 176.311 174.900 -0.212 0.000 1.177 506 G CA 0.616 45.628 45.100 -0.145 0.000 0.794 506 G HN 0.389 nan 8.290 nan 0.000 0.532 507 A N 0.587 123.312 122.820 -0.159 0.000 1.933 507 A HA 0.053 4.374 4.320 0.001 0.000 0.218 507 A C 2.374 179.830 177.584 -0.214 0.000 1.175 507 A CA 1.830 53.801 52.037 -0.110 0.000 0.628 507 A CB -0.267 18.759 19.000 0.043 0.000 0.814 507 A HN 0.311 nan 8.150 nan 0.000 0.444 508 M N -0.787 118.606 119.600 -0.345 0.000 2.388 508 M HA 0.030 4.510 4.480 0.001 0.000 0.265 508 M C 2.252 178.247 176.300 -0.508 0.000 1.088 508 M CA 1.150 56.239 55.300 -0.353 0.000 1.134 508 M CB -1.615 30.779 32.600 -0.342 0.000 1.384 508 M HN 0.444 nan 8.290 nan 0.000 0.447 509 G N 1.507 109.796 108.800 -0.853 0.000 2.421 509 G HA2 -0.190 3.770 3.960 0.001 0.000 0.216 509 G HA3 -0.190 3.770 3.960 0.001 0.000 0.216 509 G C 1.791 176.263 174.900 -0.713 0.000 1.171 509 G CA 0.515 44.632 45.100 -1.638 0.000 0.775 509 G HN 0.497 nan 8.290 nan 0.000 0.543 510 R N -1.319 118.989 120.500 -0.320 0.000 2.394 510 R HA 0.294 4.634 4.340 0.001 0.000 0.220 510 R C 0.506 176.825 176.300 0.032 0.000 0.887 510 R CA -0.308 55.806 56.100 0.023 0.000 1.034 510 R CB 0.427 30.848 30.300 0.201 0.000 1.179 510 R HN 0.113 nan 8.270 nan 0.000 0.561 511 R N 2.147 122.620 120.500 -0.045 0.000 3.333 511 R HA -0.115 4.226 4.340 0.001 0.000 0.256 511 R C -0.689 175.629 176.300 0.030 0.000 1.010 511 R CA 1.065 57.154 56.100 -0.019 0.000 0.680 511 R CB -2.237 28.045 30.300 -0.030 0.000 1.102 511 R HN 0.417 nan 8.270 nan 0.000 0.440 512 T N -1.017 113.572 114.554 0.058 0.000 2.884 512 T HA 0.552 4.902 4.350 0.001 0.000 0.298 512 T C 0.740 175.477 174.700 0.061 0.000 0.998 512 T CA -0.619 61.537 62.100 0.093 0.000 1.124 512 T CB 1.634 70.585 68.868 0.138 0.000 0.931 512 T HN 0.191 nan 8.240 nan 0.000 0.531 513 L N 1.973 123.230 121.223 0.057 0.000 2.333 513 L HA 0.763 5.103 4.340 0.001 0.000 0.269 513 L C 0.573 177.467 176.870 0.041 0.000 1.010 513 L CA -1.215 53.646 54.840 0.035 0.000 0.818 513 L CB 2.267 44.337 42.059 0.018 0.000 1.306 513 L HN 0.967 nan 8.230 nan 0.000 0.430 514 G N 2.537 111.351 108.800 0.024 0.000 3.405 514 G HA2 0.592 4.553 3.960 0.001 0.000 0.318 514 G HA3 0.592 4.553 3.960 0.001 0.000 0.318 514 G C -0.993 173.906 174.900 -0.002 0.000 1.597 514 G CA -0.129 44.987 45.100 0.027 0.000 1.022 514 G HN 0.324 nan 8.290 nan 0.000 0.506 515 I N 2.011 122.572 120.570 -0.015 0.000 2.359 515 I HA 0.608 4.778 4.170 0.001 0.000 0.294 515 I C 1.036 177.125 176.117 -0.046 0.000 0.987 515 I CA -0.117 61.123 61.300 -0.100 0.000 1.225 515 I CB 2.017 39.900 38.000 -0.195 0.000 1.366 515 I HN 0.414 nan 8.210 nan 0.000 0.466 516 G N 4.600 113.360 108.800 -0.068 0.000 2.971 516 G HA2 0.761 4.721 3.960 0.001 0.000 0.235 516 G HA3 0.761 4.721 3.960 0.001 0.000 0.235 516 G C -0.808 174.111 174.900 0.032 0.000 1.351 516 G CA -0.448 44.665 45.100 0.022 0.000 1.039 516 G HN 0.575 nan 8.290 nan 0.000 0.563 517 V N -1.618 118.349 119.914 0.089 0.000 3.001 517 V HA 0.873 4.994 4.120 0.001 0.000 0.314 517 V C -0.294 175.882 176.094 0.138 0.000 1.099 517 V CA -0.985 61.383 62.300 0.113 0.000 0.989 517 V CB 1.539 33.418 31.823 0.094 0.000 1.040 517 V HN 1.075 nan 8.190 nan 0.000 0.434 518 I N -0.546 120.121 120.570 0.162 0.000 3.108 518 I HA 0.701 4.871 4.170 0.001 0.000 0.312 518 I C 0.351 176.620 176.117 0.254 0.000 1.095 518 I CA -0.822 60.596 61.300 0.197 0.000 1.000 518 I CB 2.210 40.304 38.000 0.158 0.000 1.229 518 I HN 0.751 nan 8.210 nan 0.000 0.454 519 N N 0.591 119.469 118.700 0.298 0.000 2.782 519 N HA -0.248 4.492 4.740 0.001 0.000 0.251 519 N C 0.300 176.084 175.510 0.457 0.000 1.101 519 N CA 1.117 54.395 53.050 0.380 0.000 0.764 519 N CB -1.037 37.681 38.487 0.385 0.000 1.122 519 N HN 0.856 nan 8.380 nan 0.000 0.561 520 F N 1.241 121.365 119.950 0.291 0.000 2.069 520 F HA -0.141 4.386 4.527 0.001 0.000 0.298 520 F C 2.290 178.318 175.800 0.380 0.000 1.113 520 F CA 2.346 60.532 58.000 0.311 0.000 1.214 520 F CB -0.687 38.503 39.000 0.315 0.000 0.978 520 F HN 0.209 nan 8.300 nan 0.000 0.474 521 A N -0.574 122.520 122.820 0.457 0.000 1.892 521 A HA -0.303 4.017 4.320 0.001 0.000 0.218 521 A C 2.178 179.964 177.584 0.337 0.000 1.188 521 A CA 1.995 54.290 52.037 0.430 0.000 0.631 521 A CB -1.789 17.566 19.000 0.591 0.000 0.822 521 A HN 0.635 nan 8.150 nan 0.000 0.447 522 Y N -1.236 119.256 120.300 0.320 0.000 2.114 522 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 522 Y C 2.203 178.144 175.900 0.068 0.000 1.143 522 Y CA 1.795 60.022 58.100 0.212 0.000 1.135 522 Y CB -1.054 37.587 38.460 0.302 0.000 0.980 522 Y HN 0.419 nan 8.280 nan 0.000 0.499 523 Y N 0.579 120.770 120.300 -0.181 0.000 2.030 523 Y HA -0.375 4.176 4.550 0.001 0.000 0.272 523 Y C 2.333 178.086 175.900 -0.244 0.000 1.185 523 Y CA 2.491 60.451 58.100 -0.233 0.000 1.120 523 Y CB -0.827 37.609 38.460 -0.040 0.000 0.955 523 Y HN 0.222 nan 8.280 nan 0.000 0.495 524 L N -0.620 120.433 121.223 -0.284 0.000 2.012 524 L HA -0.290 4.050 4.340 0.001 0.000 0.210 524 L C 2.785 179.450 176.870 -0.342 0.000 1.073 524 L CA 1.338 55.926 54.840 -0.421 0.000 0.748 524 L CB -1.157 40.539 42.059 -0.605 0.000 0.891 524 L HN 0.419 nan 8.230 nan 0.000 0.431 525 A N 1.090 123.711 122.820 -0.331 0.000 1.902 525 A HA -0.242 4.078 4.320 0.001 0.000 0.217 525 A C 2.303 179.632 177.584 -0.425 0.000 1.181 525 A CA 2.068 53.870 52.037 -0.391 0.000 0.623 525 A CB -0.500 18.106 19.000 -0.657 0.000 0.818 525 A HN 0.552 nan 8.150 nan 0.000 0.443 526 K N -0.865 119.202 120.400 -0.556 0.000 2.211 526 K HA -0.172 4.148 4.320 0.001 0.000 0.203 526 K C 0.857 177.086 176.600 -0.618 0.000 1.050 526 K CA 1.703 57.632 56.287 -0.596 0.000 0.945 526 K CB -0.492 31.574 32.500 -0.722 0.000 0.732 526 K HN 0.588 nan 8.250 nan 0.000 0.451 527 H N 0.449 119.238 119.070 -0.468 0.000 2.592 527 H HA 0.218 4.774 4.556 0.001 0.000 0.291 527 H C 0.531 175.691 175.328 -0.279 0.000 1.052 527 H CA 0.457 56.279 56.048 -0.377 0.000 1.175 527 H CB 0.370 29.859 29.762 -0.455 0.000 1.378 527 H HN 0.566 nan 8.280 nan 0.000 0.576 528 G N 1.231 109.913 108.800 -0.197 0.000 2.305 528 G HA2 -0.299 3.661 3.960 0.001 0.000 0.287 528 G HA3 -0.299 3.661 3.960 0.001 0.000 0.287 528 G C 0.026 174.852 174.900 -0.123 0.000 1.036 528 G CA 0.192 45.200 45.100 -0.153 0.000 0.887 528 G HN 0.293 nan 8.290 nan 0.000 0.505 529 K N -0.716 119.595 120.400 -0.148 0.000 2.316 529 K HA 0.784 5.105 4.320 0.001 0.000 0.234 529 K C 0.569 177.095 176.600 -0.123 0.000 1.054 529 K CA -0.823 55.386 56.287 -0.130 0.000 0.879 529 K CB 1.569 33.975 32.500 -0.157 0.000 1.252 529 K HN 0.399 nan 8.250 nan 0.000 0.471 530 R N -0.386 120.060 120.500 -0.090 0.000 2.817 530 R HA 0.333 4.674 4.340 0.001 0.000 0.268 530 R C 0.703 176.994 176.300 -0.014 0.000 1.027 530 R CA -0.775 55.312 56.100 -0.021 0.000 0.928 530 R CB 0.058 30.403 30.300 0.075 0.000 1.228 530 R HN 0.511 nan 8.270 nan 0.000 0.469 531 Y N 0.632 120.984 120.300 0.087 0.000 2.243 531 Y HA -0.133 4.418 4.550 0.001 0.000 0.293 531 Y C 2.549 178.518 175.900 0.114 0.000 1.124 531 Y CA 2.103 60.286 58.100 0.138 0.000 1.159 531 Y CB 0.233 38.815 38.460 0.203 0.000 1.008 531 Y HN 0.666 nan 8.280 nan 0.000 0.527 532 S N -0.966 114.889 115.700 0.257 0.000 2.528 532 S HA -0.051 4.419 4.470 0.001 0.000 0.219 532 S C 0.823 175.492 174.600 0.115 0.000 0.985 532 S CA 0.729 59.036 58.200 0.177 0.000 0.914 532 S CB -0.201 63.083 63.200 0.139 0.000 0.776 532 S HN 0.548 nan 8.310 nan 0.000 0.526 533 D N -0.394 120.060 120.400 0.090 0.000 2.469 533 D HA 0.297 4.937 4.640 0.001 0.000 0.215 533 D C 1.318 177.638 176.300 0.034 0.000 1.154 533 D CA 0.342 54.375 54.000 0.056 0.000 0.832 533 D CB -0.406 40.422 40.800 0.045 0.000 1.008 533 D HN 0.437 nan 8.370 nan 0.000 0.506 534 G N 0.952 109.770 108.800 0.030 0.000 2.184 534 G HA2 -0.393 3.567 3.960 0.001 0.000 0.264 534 G HA3 -0.393 3.567 3.960 0.001 0.000 0.264 534 G C 1.270 176.163 174.900 -0.012 0.000 0.975 534 G CA 0.964 46.063 45.100 -0.000 0.000 0.642 534 G HN 0.647 nan 8.290 nan 0.000 0.536 535 S N -0.761 114.934 115.700 -0.009 0.000 2.440 535 S HA 0.230 4.701 4.470 0.001 0.000 0.238 535 S C 2.101 176.677 174.600 -0.041 0.000 1.010 535 S CA 1.542 59.727 58.200 -0.025 0.000 0.972 535 S CB -0.108 63.075 63.200 -0.027 0.000 0.774 535 S HN 1.780 nan 8.310 nan 0.000 0.501 536 A N 0.613 123.408 122.820 -0.040 0.000 2.390 536 A HA 0.408 4.728 4.320 0.001 0.000 0.232 536 A C 1.600 179.189 177.584 0.008 0.000 1.233 536 A CA -0.189 51.819 52.037 -0.048 0.000 0.907 536 A CB -0.190 18.746 19.000 -0.105 0.000 0.967 536 A HN 0.383 nan 8.150 nan 0.000 0.512 537 N N 1.357 120.055 118.700 -0.003 0.000 2.142 537 N HA -0.122 4.618 4.740 0.001 0.000 0.186 537 N C 1.390 176.928 175.510 0.046 0.000 1.023 537 N CA 1.544 54.596 53.050 0.003 0.000 0.852 537 N CB -0.168 38.291 38.487 -0.047 0.000 0.998 537 N HN 0.448 nan 8.380 nan 0.000 0.424 538 N N 0.445 119.161 118.700 0.027 0.000 2.173 538 N HA -0.054 4.686 4.740 0.001 0.000 0.184 538 N C 1.745 177.325 175.510 0.116 0.000 1.025 538 N CA 0.275 53.355 53.050 0.050 0.000 0.852 538 N CB -0.605 37.880 38.487 -0.003 0.000 0.998 538 N HN 0.147 nan 8.380 nan 0.000 0.427 539 L N 1.616 122.876 121.223 0.063 0.000 2.051 539 L HA -0.179 4.161 4.340 0.001 0.000 0.214 539 L C 1.902 178.900 176.870 0.214 0.000 1.076 539 L CA 1.818 56.694 54.840 0.061 0.000 0.758 539 L CB -1.247 40.772 42.059 -0.067 0.000 0.890 539 L HN 0.095 nan 8.230 nan 0.000 0.433 540 T N -1.176 113.535 114.554 0.262 0.000 2.708 540 T HA -0.240 4.111 4.350 0.001 0.000 0.266 540 T C 1.798 176.726 174.700 0.380 0.000 1.037 540 T CA 1.577 63.913 62.100 0.392 0.000 1.146 540 T CB -0.517 68.522 68.868 0.286 0.000 0.865 540 T HN 0.574 nan 8.240 nan 0.000 0.435 541 H N 1.595 120.778 119.070 0.189 0.000 2.270 541 H HA -0.023 4.533 4.556 0.001 0.000 0.299 541 H C 2.458 177.891 175.328 0.174 0.000 1.077 541 H CA 1.689 57.870 56.048 0.221 0.000 1.294 541 H CB -0.286 29.560 29.762 0.141 0.000 1.371 541 H HN 0.196 nan 8.280 nan 0.000 0.491 542 K N -0.388 120.229 120.400 0.362 0.000 2.049 542 K HA -0.190 4.130 4.320 0.001 0.000 0.219 542 K C 2.180 178.859 176.600 0.133 0.000 1.056 542 K CA 2.523 58.970 56.287 0.267 0.000 0.946 542 K CB -0.326 32.298 32.500 0.207 0.000 0.723 542 K HN 0.350 nan 8.250 nan 0.000 0.453 543 T N 0.148 114.800 114.554 0.162 0.000 2.759 543 T HA -0.131 4.220 4.350 0.001 0.000 0.269 543 T C 1.619 176.224 174.700 -0.158 0.000 1.042 543 T CA 1.573 63.702 62.100 0.048 0.000 1.140 543 T CB -0.228 68.729 68.868 0.149 0.000 0.864 543 T HN 0.202 nan 8.240 nan 0.000 0.455 544 F N 0.639 120.457 119.950 -0.221 0.000 2.569 544 F HA 0.212 4.739 4.527 0.000 0.000 0.295 544 F C 2.411 177.707 175.800 -0.840 0.000 1.115 544 F CA 0.119 57.927 58.000 -0.320 0.000 1.450 544 F CB 0.007 38.961 39.000 -0.077 0.000 1.107 544 F HN 0.129 nan 8.300 nan 0.000 0.563 545 E N 0.968 120.453 120.200 -1.191 0.000 2.012 545 E HA -0.275 4.075 4.350 0.001 0.000 0.197 545 E C 2.441 178.889 176.600 -0.252 0.000 1.007 545 E CA 1.306 57.157 56.400 -0.915 0.000 0.816 545 E CB -0.198 29.300 29.700 -0.336 0.000 0.762 545 E HN 0.306 nan 8.360 nan 0.000 0.451 546 A N 0.999 123.741 122.820 -0.129 0.000 1.927 546 A HA -0.229 4.092 4.320 0.001 0.000 0.220 546 A C 2.191 179.661 177.584 -0.189 0.000 1.185 546 A CA 1.813 53.754 52.037 -0.159 0.000 0.639 546 A CB -0.748 18.302 19.000 0.082 0.000 0.820 546 A HN 0.352 nan 8.150 nan 0.000 0.451 547 I N -1.402 119.046 120.570 -0.204 0.000 2.163 547 I HA -0.242 3.928 4.170 0.001 0.000 0.240 547 I C 2.755 178.860 176.117 -0.020 0.000 1.081 547 I CA 1.684 62.891 61.300 -0.155 0.000 1.353 547 I CB -0.314 37.541 38.000 -0.242 0.000 1.054 547 I HN 0.329 nan 8.210 nan 0.000 0.407 548 Q N 0.332 120.160 119.800 0.047 0.000 2.084 548 Q HA -0.265 4.075 4.340 0.001 0.000 0.202 548 Q C 2.053 178.087 176.000 0.057 0.000 0.978 548 Q CA 1.893 57.819 55.803 0.205 0.000 0.844 548 Q CB -0.657 28.383 28.738 0.503 0.000 0.898 548 Q HN 0.546 nan 8.270 nan 0.000 0.426 549 Y N -0.488 119.625 120.300 -0.311 0.000 2.049 549 Y HA -0.329 4.221 4.550 0.001 0.000 0.277 549 Y C 1.749 177.286 175.900 -0.605 0.000 1.143 549 Y CA 2.278 59.883 58.100 -0.824 0.000 1.115 549 Y CB -0.633 37.019 38.460 -1.346 0.000 0.975 549 Y HN 0.197 nan 8.280 nan 0.000 0.487 550 Y N -0.147 119.977 120.300 -0.293 0.000 2.293 550 Y HA -0.211 4.340 4.550 0.001 0.000 0.291 550 Y C 2.456 178.229 175.900 -0.212 0.000 1.137 550 Y CA 1.279 59.211 58.100 -0.279 0.000 1.202 550 Y CB -0.794 37.544 38.460 -0.202 0.000 0.990 550 Y HN 0.186 nan 8.280 nan 0.000 0.537 551 L N -0.892 120.342 121.223 0.019 0.000 1.976 551 L HA -0.266 4.074 4.340 0.001 0.000 0.209 551 L C 2.325 179.153 176.870 -0.070 0.000 1.071 551 L CA 1.373 56.240 54.840 0.045 0.000 0.746 551 L CB -0.787 41.340 42.059 0.114 0.000 0.890 551 L HN 0.241 nan 8.230 nan 0.000 0.432 552 L N -0.194 120.936 121.223 -0.155 0.000 2.042 552 L HA -0.289 4.052 4.340 0.001 0.000 0.210 552 L C 2.684 179.379 176.870 -0.292 0.000 1.076 552 L CA 1.528 56.227 54.840 -0.236 0.000 0.749 552 L CB -0.464 41.442 42.059 -0.254 0.000 0.893 552 L HN 0.273 nan 8.230 nan 0.000 0.432 553 K N 0.092 120.242 120.400 -0.416 0.000 2.057 553 K HA -0.181 4.139 4.320 0.001 0.000 0.207 553 K C 2.090 178.579 176.600 -0.185 0.000 1.049 553 K CA 1.338 57.396 56.287 -0.383 0.000 0.931 553 K CB -0.098 32.082 32.500 -0.533 0.000 0.714 553 K HN 0.278 nan 8.250 nan 0.000 0.440 554 A N -0.060 122.696 122.820 -0.105 0.000 1.930 554 A HA -0.130 4.190 4.320 0.001 0.000 0.217 554 A C 2.174 179.726 177.584 -0.054 0.000 1.175 554 A CA 2.012 54.025 52.037 -0.039 0.000 0.627 554 A CB -0.702 18.311 19.000 0.022 0.000 0.815 554 A HN 0.384 nan 8.150 nan 0.000 0.443 555 S N -0.621 115.029 115.700 -0.083 0.000 2.395 555 S HA -0.120 4.350 4.470 0.001 0.000 0.225 555 S C 2.004 176.530 174.600 -0.123 0.000 1.027 555 S CA 1.024 59.170 58.200 -0.089 0.000 0.965 555 S CB -0.575 62.567 63.200 -0.097 0.000 0.812 555 S HN 0.744 nan 8.310 nan 0.000 0.482 556 N N 0.443 119.051 118.700 -0.153 0.000 2.043 556 N HA -0.146 4.595 4.740 0.001 0.000 0.193 556 N C 1.521 176.940 175.510 -0.151 0.000 1.037 556 N CA 1.393 54.345 53.050 -0.162 0.000 0.851 556 N CB -0.111 38.273 38.487 -0.172 0.000 1.027 556 N HN 0.410 nan 8.380 nan 0.000 0.422 557 E N 0.815 120.934 120.200 -0.135 0.000 2.118 557 E HA -0.191 4.159 4.350 0.001 0.000 0.195 557 E C 2.050 178.597 176.600 -0.089 0.000 0.992 557 E CA 0.596 56.926 56.400 -0.116 0.000 0.804 557 E CB -0.329 29.327 29.700 -0.075 0.000 0.741 557 E HN 0.376 nan 8.360 nan 0.000 0.458 558 L N 0.930 122.111 121.223 -0.070 0.000 2.141 558 L HA -0.011 4.330 4.340 0.001 0.000 0.209 558 L C 2.202 179.020 176.870 -0.086 0.000 1.094 558 L CA 1.647 56.452 54.840 -0.059 0.000 0.763 558 L CB -0.544 41.491 42.059 -0.040 0.000 0.908 558 L HN 0.010 nan 8.230 nan 0.000 0.437 559 A N -0.754 122.000 122.820 -0.110 0.000 2.019 559 A HA -0.200 4.120 4.320 0.001 0.000 0.219 559 A C 2.304 179.828 177.584 -0.101 0.000 1.164 559 A CA 1.704 53.665 52.037 -0.126 0.000 0.644 559 A CB -0.428 18.459 19.000 -0.189 0.000 0.805 559 A HN 0.507 nan 8.150 nan 0.000 0.449 560 K N -0.685 119.650 120.400 -0.107 0.000 2.031 560 K HA -0.134 4.186 4.320 0.001 0.000 0.205 560 K C 2.122 178.676 176.600 -0.076 0.000 1.049 560 K CA 1.382 57.611 56.287 -0.098 0.000 0.939 560 K CB -0.157 32.238 32.500 -0.176 0.000 0.717 560 K HN 0.655 nan 8.250 nan 0.000 0.438 561 E N 0.786 120.936 120.200 -0.083 0.000 2.110 561 E HA -0.203 4.148 4.350 0.001 0.000 0.193 561 E C 1.240 177.786 176.600 -0.089 0.000 0.988 561 E CA 1.302 57.653 56.400 -0.081 0.000 0.804 561 E CB 0.330 29.980 29.700 -0.083 0.000 0.745 561 E HN 0.335 nan 8.360 nan 0.000 0.458 562 Q N -1.471 118.276 119.800 -0.089 0.000 2.089 562 Q HA 0.277 4.618 4.340 0.001 0.000 0.227 562 Q C -0.084 175.872 176.000 -0.074 0.000 0.774 562 Q CA 0.226 55.975 55.803 -0.091 0.000 0.960 562 Q CB 2.314 30.987 28.738 -0.109 0.000 1.179 562 Q HN 0.208 nan 8.270 nan 0.000 0.460 563 G N 1.481 110.237 108.800 -0.073 0.000 2.674 563 G HA2 0.147 4.107 3.960 0.001 0.000 0.686 563 G HA3 0.147 4.107 3.960 0.001 0.000 0.686 563 G C -0.637 174.209 174.900 -0.090 0.000 1.195 563 G CA -0.585 44.474 45.100 -0.069 0.000 0.776 563 G HN 0.309 nan 8.290 nan 0.000 0.654 564 A N 0.594 123.341 122.820 -0.120 0.000 2.346 564 A HA 0.685 5.006 4.320 0.001 0.000 0.252 564 A C 1.569 179.127 177.584 -0.043 0.000 1.089 564 A CA 0.529 52.469 52.037 -0.162 0.000 0.797 564 A CB -0.114 18.656 19.000 -0.383 0.000 1.047 564 A HN 2.577 nan 8.150 nan 0.000 0.494 565 C N 0.175 119.487 119.300 0.020 0.000 2.644 565 C HA 0.443 4.904 4.460 0.001 0.000 0.417 565 C C -1.016 174.037 174.990 0.105 0.000 1.304 565 C CA -1.146 57.897 59.018 0.041 0.000 2.035 565 C CB 0.015 27.786 27.740 0.051 0.000 2.673 565 C HN 0.682 nan 8.230 nan 0.000 0.602 566 P HA -0.157 nan 4.420 nan 0.000 0.220 566 P C 0.608 178.140 177.300 0.387 0.000 1.155 566 P CA 2.123 65.294 63.100 0.117 0.000 0.880 566 P CB -0.104 31.549 31.700 -0.077 0.000 0.790 567 W N -2.481 118.889 121.300 0.117 0.000 3.151 567 W HA 0.344 5.004 4.660 0.000 0.000 0.424 567 W C 1.358 177.974 176.519 0.162 0.000 1.012 567 W CA -1.451 55.968 57.345 0.122 0.000 2.018 567 W CB -1.837 27.681 29.460 0.097 0.000 1.087 567 W HN -0.071 nan 8.180 nan 0.000 0.740 568 F N 3.258 123.349 119.950 0.234 0.000 2.154 568 F HA -0.328 4.199 4.527 0.000 0.000 0.301 568 F C 2.124 178.015 175.800 0.151 0.000 1.087 568 F CA 2.196 60.291 58.000 0.159 0.000 1.274 568 F CB -0.272 38.786 39.000 0.096 0.000 1.009 568 F HN -0.035 nan 8.300 nan 0.000 0.485 569 N N 0.593 119.383 118.700 0.151 0.000 2.573 569 N HA -0.174 4.566 4.740 0.001 0.000 0.187 569 N C 0.832 176.328 175.510 -0.023 0.000 1.107 569 N CA 1.202 54.270 53.050 0.030 0.000 0.918 569 N CB -0.833 37.716 38.487 0.103 0.000 0.966 569 N HN 0.552 nan 8.380 nan 0.000 0.448 570 E N 0.449 120.665 120.200 0.026 0.000 2.489 570 E HA -0.006 4.345 4.350 0.001 0.000 0.193 570 E C 0.151 176.773 176.600 0.037 0.000 1.057 570 E CA 0.232 56.661 56.400 0.047 0.000 0.866 570 E CB 0.146 29.910 29.700 0.106 0.000 0.916 570 E HN 0.490 nan 8.360 nan 0.000 0.500 571 T N -1.055 113.418 114.554 -0.135 0.000 2.907 571 T HA 0.127 4.477 4.350 0.001 0.000 0.284 571 T C 1.514 176.056 174.700 -0.265 0.000 1.004 571 T CA -0.296 61.655 62.100 -0.248 0.000 1.063 571 T CB 1.698 70.339 68.868 -0.378 0.000 0.992 571 T HN 0.005 nan 8.240 nan 0.000 0.483 572 T N -0.021 114.375 114.554 -0.263 0.000 2.737 572 T HA -0.259 4.091 4.350 0.001 0.000 0.269 572 T C 1.439 175.996 174.700 -0.239 0.000 1.040 572 T CA 1.310 63.258 62.100 -0.253 0.000 1.142 572 T CB -1.135 67.539 68.868 -0.323 0.000 0.861 572 T HN 0.642 nan 8.240 nan 0.000 0.456 573 Y N 2.429 122.597 120.300 -0.219 0.000 2.139 573 Y HA -0.019 4.532 4.550 0.000 0.000 0.282 573 Y C 3.070 178.901 175.900 -0.116 0.000 1.179 573 Y CA 0.643 58.666 58.100 -0.128 0.000 1.161 573 Y CB -1.200 37.202 38.460 -0.096 0.000 0.970 573 Y HN 0.375 nan 8.280 nan 0.000 0.511 574 A N -0.369 122.245 122.820 -0.345 0.000 2.131 574 A HA -0.168 4.152 4.320 0.001 0.000 0.220 574 A C 1.745 179.350 177.584 0.034 0.000 1.158 574 A CA 1.520 53.422 52.037 -0.224 0.000 0.665 574 A CB -0.428 18.298 19.000 -0.456 0.000 0.795 574 A HN 0.437 nan 8.150 nan 0.000 0.460 575 K N -1.662 118.736 120.400 -0.003 0.000 2.537 575 K HA 0.304 4.624 4.320 0.001 0.000 0.206 575 K C 0.800 177.422 176.600 0.036 0.000 1.041 575 K CA 0.289 56.584 56.287 0.013 0.000 1.090 575 K CB 0.258 32.742 32.500 -0.027 0.000 0.833 575 K HN 0.513 nan 8.250 nan 0.000 0.493 576 G N 1.925 110.778 108.800 0.088 0.000 2.180 576 G HA2 -0.283 3.678 3.960 0.001 0.000 0.263 576 G HA3 -0.283 3.678 3.960 0.001 0.000 0.263 576 G C 0.147 175.089 174.900 0.070 0.000 0.989 576 G CA 0.190 45.352 45.100 0.103 0.000 0.692 576 G HN 0.342 nan 8.290 nan 0.000 0.526 577 I N 0.965 121.542 120.570 0.010 0.000 2.325 577 I HA 0.434 4.604 4.170 0.001 0.000 0.291 577 I C 0.775 176.825 176.117 -0.112 0.000 1.019 577 I CA -0.583 60.685 61.300 -0.054 0.000 1.302 577 I CB 0.895 38.831 38.000 -0.107 0.000 1.401 577 I HN -0.033 nan 8.210 nan 0.000 0.485 578 L N 8.174 129.378 121.223 -0.031 0.000 2.334 578 L HA 0.438 4.778 4.340 0.001 0.000 0.270 578 L C -1.302 175.526 176.870 -0.069 0.000 1.018 578 L CA -1.707 53.136 54.840 0.004 0.000 0.811 578 L CB 1.299 43.486 42.059 0.214 0.000 1.271 578 L HN 0.323 nan 8.230 nan 0.000 0.443 579 P HA -0.232 nan 4.420 nan 0.000 0.216 579 P C 1.481 178.802 177.300 0.035 0.000 1.157 579 P CA 1.753 64.834 63.100 -0.032 0.000 0.880 579 P CB -0.124 31.559 31.700 -0.028 0.000 0.791 580 I N -3.197 117.290 120.570 -0.138 0.000 3.010 580 I HA -0.117 4.053 4.170 0.001 0.000 0.271 580 I C 0.924 177.032 176.117 -0.014 0.000 1.293 580 I CA 1.533 62.759 61.300 -0.123 0.000 1.452 580 I CB -0.718 37.046 38.000 -0.394 0.000 1.082 580 I HN -0.183 nan 8.210 nan 0.000 0.484 581 D N 1.157 121.518 120.400 -0.064 0.000 2.338 581 D HA -0.037 4.603 4.640 0.001 0.000 0.208 581 D C 1.967 178.132 176.300 -0.225 0.000 0.997 581 D CA 1.586 55.509 54.000 -0.128 0.000 0.880 581 D CB 0.118 40.871 40.800 -0.079 0.000 0.980 581 D HN 0.565 nan 8.370 nan 0.000 0.509 582 T N -1.479 112.992 114.554 -0.139 0.000 3.129 582 T HA 0.096 4.447 4.350 0.001 0.000 0.267 582 T C 0.639 175.141 174.700 -0.331 0.000 1.018 582 T CA -0.725 61.297 62.100 -0.130 0.000 0.903 582 T CB -0.714 68.194 68.868 0.066 0.000 1.067 582 T HN 0.087 nan 8.240 nan 0.000 0.549 583 Y N 1.023 121.051 120.300 -0.452 0.000 2.314 583 Y HA 0.674 5.224 4.550 0.001 0.000 0.334 583 Y C 0.360 175.956 175.900 -0.507 0.000 1.266 583 Y CA -2.356 55.262 58.100 -0.803 0.000 1.391 583 Y CB 0.482 38.579 38.460 -0.605 0.000 1.306 583 Y HN -0.156 nan 8.280 nan 0.000 0.558 584 K N 2.131 122.368 120.400 -0.272 0.000 2.447 584 K HA 0.055 4.376 4.320 0.001 0.000 0.281 584 K C 0.518 177.123 176.600 0.008 0.000 1.031 584 K CA 0.028 56.188 56.287 -0.213 0.000 1.019 584 K CB 0.766 33.090 32.500 -0.295 0.000 0.918 584 K HN 0.724 nan 8.250 nan 0.000 0.476 585 K N 2.602 122.952 120.400 -0.084 0.000 2.147 585 K HA -0.101 4.219 4.320 0.001 0.000 0.205 585 K C 0.535 177.190 176.600 0.093 0.000 1.049 585 K CA 1.725 58.000 56.287 -0.019 0.000 0.936 585 K CB -0.142 32.307 32.500 -0.085 0.000 0.722 585 K HN 0.724 nan 8.250 nan 0.000 0.446 586 D N 0.153 120.596 120.400 0.070 0.000 2.228 586 D HA -0.157 4.484 4.640 0.001 0.000 0.203 586 D C 1.359 177.780 176.300 0.202 0.000 0.988 586 D CA 0.731 54.809 54.000 0.130 0.000 0.864 586 D CB -0.089 40.773 40.800 0.102 0.000 0.928 586 D HN 0.125 nan 8.370 nan 0.000 0.469 587 L N 0.529 121.844 121.223 0.154 0.000 2.261 587 L HA -0.175 4.165 4.340 0.001 0.000 0.216 587 L C 1.437 178.292 176.870 -0.025 0.000 1.114 587 L CA 0.843 55.692 54.840 0.015 0.000 0.777 587 L CB -0.301 41.681 42.059 -0.129 0.000 0.910 587 L HN 0.022 nan 8.230 nan 0.000 0.440 588 D N -0.683 119.749 120.400 0.054 0.000 2.219 588 D HA -0.139 4.501 4.640 0.001 0.000 0.205 588 D C 2.206 178.508 176.300 0.004 0.000 0.970 588 D CA 1.729 55.743 54.000 0.024 0.000 0.851 588 D CB -0.045 40.804 40.800 0.081 0.000 0.943 588 D HN 0.387 nan 8.370 nan 0.000 0.488 589 T N -1.611 112.968 114.554 0.041 0.000 3.100 589 T HA 0.021 4.371 4.350 0.001 0.000 0.253 589 T C 1.746 176.459 174.700 0.021 0.000 1.118 589 T CA 0.132 62.260 62.100 0.046 0.000 1.058 589 T CB -0.304 68.621 68.868 0.096 0.000 0.953 589 T HN 0.377 nan 8.240 nan 0.000 0.515 590 I N -2.300 118.251 120.570 -0.032 0.000 4.240 590 I HA 0.769 4.939 4.170 0.001 0.000 0.331 590 I C 0.386 176.433 176.117 -0.116 0.000 1.381 590 I CA -1.050 60.194 61.300 -0.093 0.000 1.136 590 I CB 0.333 38.191 38.000 -0.235 0.000 1.137 590 I HN 0.258 nan 8.210 nan 0.000 0.411 591 A N 2.513 125.260 122.820 -0.122 0.000 2.605 591 A HA 0.650 4.970 4.320 0.001 0.000 0.294 591 A C -1.171 176.296 177.584 -0.195 0.000 1.062 591 A CA -0.489 51.457 52.037 -0.153 0.000 0.682 591 A CB 1.007 19.906 19.000 -0.168 0.000 1.278 591 A HN 0.346 nan 8.150 nan 0.000 0.410 592 N N 0.053 118.626 118.700 -0.212 0.000 2.475 592 N HA 0.221 4.962 4.740 0.001 0.000 0.272 592 N C -0.597 174.763 175.510 -0.250 0.000 1.482 592 N CA -0.246 52.674 53.050 -0.216 0.000 0.863 592 N CB 0.480 38.895 38.487 -0.120 0.000 1.400 592 N HN 0.621 nan 8.380 nan 0.000 0.489 593 E N 2.782 122.759 120.200 -0.372 0.000 2.417 593 E HA 0.176 4.527 4.350 0.001 0.000 0.261 593 E C -2.138 174.298 176.600 -0.272 0.000 1.000 593 E CA -1.343 54.910 56.400 -0.245 0.000 0.919 593 E CB 0.685 30.303 29.700 -0.136 0.000 0.955 593 E HN 0.278 nan 8.360 nan 0.000 0.455 594 P HA 0.092 nan 4.420 nan 0.000 0.278 594 P C -0.467 176.592 177.300 -0.402 0.000 1.238 594 P CA -0.298 62.655 63.100 -0.246 0.000 0.794 594 P CB 0.641 32.212 31.700 -0.215 0.000 0.955 595 L N 3.379 124.511 121.223 -0.152 0.000 2.525 595 L HA -0.003 4.337 4.340 0.001 0.000 0.278 595 L C 1.744 178.436 176.870 -0.297 0.000 1.218 595 L CA 0.190 54.995 54.840 -0.058 0.000 0.878 595 L CB -0.236 41.912 42.059 0.148 0.000 1.127 595 L HN 0.487 nan 8.230 nan 0.000 0.492 596 H N 2.345 121.398 119.070 -0.029 0.000 2.586 596 H HA 0.191 4.748 4.556 0.001 0.000 0.273 596 H C -0.679 174.308 175.328 -0.569 0.000 0.997 596 H CA 0.106 55.959 56.048 -0.324 0.000 1.177 596 H CB 0.283 29.756 29.762 -0.481 0.000 1.471 596 H HN 0.406 nan 8.280 nan 0.000 0.538 597 Y N 0.395 120.676 120.300 -0.030 0.000 2.524 597 Y HA 0.180 4.731 4.550 0.001 0.000 0.344 597 Y C 0.283 176.107 175.900 -0.128 0.000 1.012 597 Y CA -1.455 56.425 58.100 -0.367 0.000 1.068 597 Y CB 1.398 39.218 38.460 -1.067 0.000 1.249 597 Y HN -0.119 nan 8.280 nan 0.000 0.468 598 D N 1.600 122.010 120.400 0.017 0.000 2.470 598 D HA 0.038 4.678 4.640 0.001 0.000 0.226 598 D C -0.216 176.217 176.300 0.222 0.000 1.196 598 D CA -0.087 54.002 54.000 0.149 0.000 0.979 598 D CB -0.002 40.872 40.800 0.123 0.000 1.059 598 D HN 0.504 nan 8.370 nan 0.000 0.515 599 W N 1.769 123.203 121.300 0.223 0.000 3.077 599 W HA 0.039 4.699 4.660 0.000 0.000 0.245 599 W C 1.727 178.348 176.519 0.169 0.000 1.316 599 W CA -0.234 57.253 57.345 0.237 0.000 1.537 599 W CB 0.398 29.992 29.460 0.223 0.000 1.131 599 W HN 0.325 nan 8.180 nan 0.000 0.695 600 E N -0.028 120.353 120.200 0.301 0.000 2.075 600 E HA -0.011 4.340 4.350 0.001 0.000 0.190 600 E C 2.303 178.999 176.600 0.159 0.000 0.969 600 E CA 1.135 57.659 56.400 0.207 0.000 0.815 600 E CB -1.127 28.667 29.700 0.156 0.000 0.776 600 E HN 0.143 nan 8.360 nan 0.000 0.457 601 A N 1.822 124.725 122.820 0.139 0.000 1.903 601 A HA -0.213 4.107 4.320 0.001 0.000 0.219 601 A C 2.284 179.922 177.584 0.091 0.000 1.191 601 A CA 1.749 53.849 52.037 0.104 0.000 0.638 601 A CB -0.766 18.290 19.000 0.094 0.000 0.823 601 A HN 0.235 nan 8.150 nan 0.000 0.451 602 L N -0.451 120.823 121.223 0.086 0.000 2.056 602 L HA -0.106 4.234 4.340 0.001 0.000 0.207 602 L C 2.450 179.386 176.870 0.111 0.000 1.078 602 L CA 2.305 57.162 54.840 0.028 0.000 0.749 602 L CB -0.642 41.363 42.059 -0.091 0.000 0.901 602 L HN 0.486 nan 8.230 nan 0.000 0.433 603 R N -0.555 120.057 120.500 0.188 0.000 2.115 603 R HA -0.230 4.110 4.340 0.001 0.000 0.239 603 R C 2.133 178.526 176.300 0.155 0.000 1.133 603 R CA 2.084 58.305 56.100 0.200 0.000 0.935 603 R CB -0.232 30.185 30.300 0.195 0.000 0.853 603 R HN 0.367 nan 8.270 nan 0.000 0.433 604 E N 0.028 120.303 120.200 0.125 0.000 2.058 604 E HA -0.163 4.188 4.350 0.001 0.000 0.194 604 E C 1.951 178.613 176.600 0.104 0.000 0.997 604 E CA 1.475 57.935 56.400 0.100 0.000 0.801 604 E CB -0.596 29.155 29.700 0.084 0.000 0.746 604 E HN 0.268 nan 8.360 nan 0.000 0.450 605 S N -0.165 115.605 115.700 0.118 0.000 2.423 605 S HA -0.032 4.439 4.470 0.001 0.000 0.231 605 S C 1.993 176.694 174.600 0.168 0.000 1.014 605 S CA 0.425 58.730 58.200 0.175 0.000 0.965 605 S CB -0.111 63.150 63.200 0.100 0.000 0.785 605 S HN 0.158 nan 8.310 nan 0.000 0.495 606 I N 0.747 121.384 120.570 0.112 0.000 2.286 606 I HA -0.075 4.095 4.170 0.001 0.000 0.245 606 I C 2.618 178.838 176.117 0.172 0.000 1.104 606 I CA 0.988 62.357 61.300 0.115 0.000 1.397 606 I CB -0.185 37.921 38.000 0.177 0.000 1.072 606 I HN 0.244 nan 8.210 nan 0.000 0.417 607 K N 0.183 120.693 120.400 0.183 0.000 2.097 607 K HA -0.146 4.174 4.320 0.001 0.000 0.205 607 K C 2.026 178.675 176.600 0.081 0.000 1.050 607 K CA 1.696 58.096 56.287 0.188 0.000 0.938 607 K CB 0.021 32.604 32.500 0.138 0.000 0.718 607 K HN 0.264 nan 8.250 nan 0.000 0.442 608 T N -0.508 114.028 114.554 -0.029 0.000 2.698 608 T HA -0.089 4.262 4.350 0.001 0.000 0.260 608 T C 1.255 175.770 174.700 -0.310 0.000 1.044 608 T CA 1.467 63.433 62.100 -0.223 0.000 1.149 608 T CB -0.230 68.379 68.868 -0.432 0.000 0.864 608 T HN 0.410 nan 8.240 nan 0.000 0.419 609 H N -0.103 118.911 119.070 -0.092 0.000 2.648 609 H HA 0.480 5.036 4.556 0.001 0.000 0.265 609 H C 1.343 176.481 175.328 -0.315 0.000 0.961 609 H CA 0.173 56.129 56.048 -0.155 0.000 1.185 609 H CB 0.128 29.814 29.762 -0.125 0.000 1.449 609 H HN 0.558 nan 8.280 nan 0.000 0.523 610 G N 0.490 109.060 108.800 -0.383 0.000 2.741 610 G HA2 -0.241 3.719 3.960 0.001 0.000 0.222 610 G HA3 -0.241 3.719 3.960 0.001 0.000 0.222 610 G C -0.916 173.482 174.900 -0.837 0.000 1.364 610 G CA -0.466 43.917 45.100 -1.195 0.000 0.866 610 G HN 0.191 nan 8.290 nan 0.000 0.555 611 L N -0.459 120.170 121.223 -0.991 0.000 2.381 611 L HA 0.561 4.901 4.340 0.001 0.000 0.268 611 L C 1.393 178.162 176.870 -0.169 0.000 0.997 611 L CA -0.987 53.673 54.840 -0.300 0.000 0.818 611 L CB 1.974 44.016 42.059 -0.029 0.000 1.310 611 L HN 0.706 nan 8.230 nan 0.000 0.416 612 R N 1.882 122.311 120.500 -0.118 0.000 2.120 612 R HA -0.035 4.306 4.340 0.001 0.000 0.234 612 R C -0.273 176.018 176.300 -0.014 0.000 1.123 612 R CA 1.389 57.448 56.100 -0.068 0.000 0.975 612 R CB -0.165 30.094 30.300 -0.069 0.000 0.866 612 R HN 0.685 nan 8.270 nan 0.000 0.446 613 N N -1.283 117.418 118.700 0.001 0.000 2.296 613 N HA 0.212 4.952 4.740 0.001 0.000 0.294 613 N C -0.317 175.232 175.510 0.064 0.000 1.033 613 N CA -0.291 52.779 53.050 0.033 0.000 0.839 613 N CB 2.266 40.759 38.487 0.010 0.000 1.395 613 N HN -0.173 nan 8.380 nan 0.000 0.479 614 S N -0.182 115.591 115.700 0.121 0.000 2.382 614 S HA -0.080 4.390 4.470 0.001 0.000 0.228 614 S C 0.959 175.574 174.600 0.026 0.000 1.027 614 S CA 1.127 59.391 58.200 0.106 0.000 0.991 614 S CB -0.192 63.155 63.200 0.244 0.000 0.823 614 S HN 0.835 nan 8.310 nan 0.000 0.469 615 T N -1.722 112.888 114.554 0.094 0.000 2.907 615 T HA 0.741 5.092 4.350 0.001 0.000 0.292 615 T C 0.290 175.031 174.700 0.068 0.000 1.043 615 T CA -0.817 61.338 62.100 0.091 0.000 1.003 615 T CB 1.770 70.734 68.868 0.159 0.000 1.084 615 T HN -0.004 nan 8.240 nan 0.000 0.483 616 L N 0.973 122.237 121.223 0.069 0.000 2.806 616 L HA 0.340 4.680 4.340 0.001 0.000 0.242 616 L C 0.833 177.748 176.870 0.075 0.000 1.068 616 L CA -0.119 54.755 54.840 0.057 0.000 0.923 616 L CB 0.594 42.677 42.059 0.041 0.000 1.364 616 L HN 0.888 nan 8.230 nan 0.000 0.511 617 S N 0.002 115.763 115.700 0.102 0.000 2.532 617 S HA 0.885 5.355 4.470 0.001 0.000 0.301 617 S C -0.499 174.163 174.600 0.103 0.000 1.083 617 S CA -0.340 57.928 58.200 0.115 0.000 1.025 617 S CB 2.558 65.859 63.200 0.167 0.000 1.056 617 S HN 0.138 nan 8.310 nan 0.000 0.494 618 A N 2.505 125.380 122.820 0.092 0.000 2.511 618 A HA 0.503 4.823 4.320 0.001 0.000 0.292 618 A C -1.062 176.567 177.584 0.075 0.000 1.045 618 A CA -0.764 51.320 52.037 0.078 0.000 0.870 618 A CB 0.505 19.540 19.000 0.059 0.000 1.361 618 A HN 0.866 nan 8.150 nan 0.000 0.396 619 L N 4.705 125.977 121.223 0.080 0.000 2.334 619 L HA 0.378 4.718 4.340 0.001 0.000 0.286 619 L C 0.664 177.569 176.870 0.059 0.000 1.108 619 L CA -0.379 54.508 54.840 0.079 0.000 0.875 619 L CB 0.418 42.526 42.059 0.082 0.000 1.246 619 L HN 0.816 nan 8.230 nan 0.000 0.439 620 M N 3.379 123.013 119.600 0.057 0.000 2.471 620 M HA 0.665 5.145 4.480 0.001 0.000 0.309 620 M C -2.712 173.625 176.300 0.061 0.000 1.186 620 M CA -2.160 53.170 55.300 0.050 0.000 1.008 620 M CB 0.142 32.767 32.600 0.043 0.000 1.551 620 M HN 0.012 nan 8.290 nan 0.000 0.477 621 P HA 0.307 nan 4.420 nan 0.000 0.271 621 P C -0.949 176.392 177.300 0.068 0.000 1.218 621 P CA -0.181 62.957 63.100 0.063 0.000 0.780 621 P CB 0.627 32.356 31.700 0.049 0.000 0.901 622 S N 0.081 115.828 115.700 0.078 0.000 2.677 622 S HA 0.743 5.214 4.470 0.001 0.000 0.304 622 S C 0.107 174.750 174.600 0.072 0.000 1.108 622 S CA -0.279 57.969 58.200 0.080 0.000 0.944 622 S CB 2.783 66.037 63.200 0.091 0.000 1.127 622 S HN 0.502 nan 8.310 nan 0.000 0.511 623 E N 0.050 120.291 120.200 0.068 0.000 3.072 623 E HA 0.067 4.418 4.350 0.001 0.000 0.281 623 E C 1.371 177.997 176.600 0.043 0.000 1.161 623 E CA 0.893 57.323 56.400 0.051 0.000 2.012 623 E CB -0.771 28.956 29.700 0.044 0.000 2.263 623 E HN 0.603 nan 8.360 nan 0.000 1.016 624 T N 0.670 115.256 114.554 0.054 0.000 2.607 624 T HA -0.197 4.153 4.350 0.001 0.000 0.267 624 T C 1.897 176.642 174.700 0.075 0.000 1.049 624 T CA 2.318 64.446 62.100 0.047 0.000 1.162 624 T CB -0.874 68.053 68.868 0.098 0.000 0.863 624 T HN 0.235 nan 8.240 nan 0.000 0.424 625 S N 2.663 118.447 115.700 0.140 0.000 2.365 625 S HA -0.184 4.286 4.470 0.001 0.000 0.225 625 S C 2.484 177.150 174.600 0.111 0.000 1.039 625 S CA 1.642 59.944 58.200 0.170 0.000 1.033 625 S CB -0.871 62.421 63.200 0.154 0.000 0.887 625 S HN 0.728 nan 8.310 nan 0.000 0.447 626 S N 1.857 117.605 115.700 0.081 0.000 2.428 626 S HA -0.078 4.393 4.470 0.001 0.000 0.230 626 S C 1.893 176.504 174.600 0.019 0.000 1.014 626 S CA 0.629 58.865 58.200 0.061 0.000 0.957 626 S CB -0.426 62.820 63.200 0.076 0.000 0.784 626 S HN 0.498 nan 8.310 nan 0.000 0.499 627 Q N 0.780 120.581 119.800 0.002 0.000 2.020 627 Q HA -0.019 4.322 4.340 0.001 0.000 0.202 627 Q C 2.104 178.069 176.000 -0.058 0.000 0.982 627 Q CA 1.304 57.084 55.803 -0.038 0.000 0.838 627 Q CB -0.367 28.335 28.738 -0.059 0.000 0.899 627 Q HN 0.445 nan 8.270 nan 0.000 0.423 628 I N 0.755 121.301 120.570 -0.039 0.000 2.290 628 I HA -0.279 3.892 4.170 0.001 0.000 0.253 628 I C 1.608 177.665 176.117 -0.100 0.000 1.112 628 I CA 1.526 62.827 61.300 0.002 0.000 1.377 628 I CB -0.721 37.360 38.000 0.135 0.000 1.060 628 I HN 0.131 nan 8.210 nan 0.000 0.428 629 S N -0.572 115.014 115.700 -0.189 0.000 2.540 629 S HA 0.059 4.529 4.470 0.001 0.000 0.218 629 S C 0.693 175.098 174.600 -0.324 0.000 0.977 629 S CA -0.274 57.632 58.200 -0.491 0.000 0.918 629 S CB -0.257 62.808 63.200 -0.226 0.000 0.806 629 S HN 0.532 nan 8.310 nan 0.000 0.496 630 N N 1.247 119.852 118.700 -0.157 0.000 2.671 630 N HA -0.223 4.517 4.740 0.001 0.000 0.261 630 N C -0.503 174.974 175.510 -0.055 0.000 1.053 630 N CA 0.212 53.216 53.050 -0.077 0.000 0.732 630 N CB -0.891 37.580 38.487 -0.027 0.000 0.887 630 N HN 0.531 nan 8.380 nan 0.000 0.546 631 A N 0.918 123.729 122.820 -0.016 0.000 2.401 631 A HA 0.628 4.948 4.320 0.001 0.000 0.310 631 A C 0.427 178.068 177.584 0.095 0.000 1.075 631 A CA -0.040 52.026 52.037 0.047 0.000 0.746 631 A CB 1.257 20.304 19.000 0.077 0.000 1.277 631 A HN 0.463 nan 8.150 nan 0.000 0.425 632 T N 0.167 114.822 114.554 0.168 0.000 2.900 632 T HA 0.268 4.619 4.350 0.001 0.000 0.307 632 T C 0.098 174.910 174.700 0.188 0.000 1.065 632 T CA -0.198 62.015 62.100 0.188 0.000 1.105 632 T CB -0.313 68.724 68.868 0.281 0.000 0.979 632 T HN 0.584 nan 8.240 nan 0.000 0.544 633 N N 1.581 120.373 118.700 0.152 0.000 2.497 633 N HA 0.464 5.205 4.740 0.001 0.000 0.271 633 N C 1.484 177.099 175.510 0.175 0.000 1.142 633 N CA 0.395 53.526 53.050 0.134 0.000 0.965 633 N CB 0.476 39.017 38.487 0.091 0.000 1.077 633 N HN 1.040 nan 8.380 nan 0.000 0.462 634 G N 2.412 111.310 108.800 0.163 0.000 2.685 634 G HA2 -0.363 3.598 3.960 0.001 0.000 0.357 634 G HA3 -0.363 3.598 3.960 0.001 0.000 0.357 634 G C 0.727 175.782 174.900 0.259 0.000 1.272 634 G CA 1.306 46.512 45.100 0.177 0.000 0.972 634 G HN 0.816 nan 8.290 nan 0.000 0.550 635 I N -1.800 118.925 120.570 0.259 0.000 3.941 635 I HA 0.483 4.653 4.170 0.001 0.000 0.335 635 I C 0.033 176.464 176.117 0.524 0.000 1.402 635 I CA -0.218 61.313 61.300 0.386 0.000 1.112 635 I CB 0.514 38.564 38.000 0.083 0.000 1.043 635 I HN 0.031 nan 8.210 nan 0.000 0.395 636 E N 3.400 123.798 120.200 0.331 0.000 2.354 636 E HA 0.342 4.692 4.350 0.001 0.000 0.269 636 E C -2.308 174.366 176.600 0.123 0.000 1.036 636 E CA -2.332 54.175 56.400 0.178 0.000 0.876 636 E CB 0.315 30.053 29.700 0.062 0.000 1.009 636 E HN 0.100 nan 8.360 nan 0.000 0.416 637 P HA 0.120 nan 4.420 nan 0.000 0.271 637 P C -2.391 174.833 177.300 -0.127 0.000 1.216 637 P CA -1.054 61.934 63.100 -0.186 0.000 0.771 637 P CB -0.204 31.197 31.700 -0.498 0.000 0.864 638 P HA 0.178 nan 4.420 nan 0.000 0.271 638 P C 0.599 177.782 177.300 -0.194 0.000 1.216 638 P CA -0.088 62.943 63.100 -0.115 0.000 0.776 638 P CB 0.960 32.577 31.700 -0.138 0.000 0.881 639 R N 1.511 121.910 120.500 -0.170 0.000 2.073 639 R HA 0.103 4.443 4.340 0.001 0.000 0.234 639 R C 1.482 177.708 176.300 -0.123 0.000 1.134 639 R CA 1.541 57.550 56.100 -0.152 0.000 0.952 639 R CB -0.531 29.754 30.300 -0.024 0.000 0.850 639 R HN 0.625 nan 8.270 nan 0.000 0.433 640 G N -2.095 106.613 108.800 -0.153 0.000 3.086 640 G HA2 0.295 4.256 3.960 0.001 0.000 0.282 640 G HA3 0.295 4.256 3.960 0.001 0.000 0.282 640 G C -0.667 174.039 174.900 -0.323 0.000 1.343 640 G CA -0.647 44.303 45.100 -0.250 0.000 0.895 640 G HN 0.037 nan 8.290 nan 0.000 0.557 641 Y N -1.078 119.205 120.300 -0.028 0.000 2.448 641 Y HA 0.331 4.882 4.550 0.001 0.000 0.289 641 Y C 1.113 176.937 175.900 -0.127 0.000 1.114 641 Y CA -0.042 58.013 58.100 -0.074 0.000 1.235 641 Y CB 0.307 38.745 38.460 -0.037 0.000 1.045 641 Y HN 0.072 nan 8.280 nan 0.000 0.554 642 V N -0.514 119.415 119.914 0.026 0.000 2.604 642 V HA 0.489 4.610 4.120 0.001 0.000 0.305 642 V C -0.296 175.791 176.094 -0.013 0.000 1.043 642 V CA -1.106 61.184 62.300 -0.016 0.000 0.888 642 V CB 1.870 33.671 31.823 -0.037 0.000 0.995 642 V HN -0.003 nan 8.190 nan 0.000 0.429 643 S N 3.571 119.263 115.700 -0.014 0.000 2.503 643 S HA 0.840 5.310 4.470 0.001 0.000 0.301 643 S C -1.026 173.573 174.600 -0.002 0.000 1.087 643 S CA -0.422 57.773 58.200 -0.007 0.000 1.042 643 S CB 1.159 64.353 63.200 -0.010 0.000 1.043 643 S HN 0.483 nan 8.310 nan 0.000 0.489 644 I N 3.399 123.971 120.570 0.004 0.000 2.474 644 I HA 0.526 4.696 4.170 0.001 0.000 0.294 644 I C -0.802 175.319 176.117 0.007 0.000 1.005 644 I CA -0.373 60.931 61.300 0.007 0.000 1.113 644 I CB 2.066 40.072 38.000 0.009 0.000 1.289 644 I HN 0.517 nan 8.210 nan 0.000 0.436 645 K N 4.314 124.718 120.400 0.006 0.000 2.316 645 K HA 0.823 5.143 4.320 0.001 0.000 0.251 645 K C -0.718 175.887 176.600 0.008 0.000 0.934 645 K CA -0.523 55.766 56.287 0.003 0.000 0.802 645 K CB 1.990 34.484 32.500 -0.010 0.000 1.171 645 K HN 0.594 nan 8.250 nan 0.000 0.426 646 A N 1.433 124.258 122.820 0.008 0.000 2.407 646 A HA 0.622 4.943 4.320 0.001 0.000 0.248 646 A C -0.224 177.363 177.584 0.005 0.000 1.082 646 A CA 0.096 52.138 52.037 0.009 0.000 0.785 646 A CB 0.108 19.113 19.000 0.010 0.000 1.020 646 A HN 0.791 nan 8.150 nan 0.000 0.489 647 S N 0.688 116.393 115.700 0.008 0.000 2.595 647 S HA 0.415 4.885 4.470 0.001 0.000 0.270 647 S C 0.639 175.245 174.600 0.010 0.000 1.145 647 S CA -0.137 58.065 58.200 0.003 0.000 0.825 647 S CB 1.021 64.220 63.200 -0.002 0.000 1.107 647 S HN 0.968 nan 8.310 nan 0.000 0.461 648 K N 0.944 121.348 120.400 0.007 0.000 2.074 648 K HA -0.140 4.180 4.320 0.001 0.000 0.209 648 K C 0.208 176.822 176.600 0.022 0.000 1.048 648 K CA 2.065 58.359 56.287 0.012 0.000 0.926 648 K CB -1.185 31.320 32.500 0.008 0.000 0.713 648 K HN 0.690 nan 8.250 nan 0.000 0.444 649 D N 1.392 121.810 120.400 0.030 0.000 2.319 649 D HA 0.204 4.845 4.640 0.001 0.000 0.230 649 D C 0.845 177.184 176.300 0.065 0.000 1.094 649 D CA 0.938 54.969 54.000 0.052 0.000 0.856 649 D CB 0.267 41.110 40.800 0.071 0.000 0.915 649 D HN 0.549 nan 8.370 nan 0.000 0.517 650 G N 0.822 109.649 108.800 0.046 0.000 2.549 650 G HA2 -0.197 3.764 3.960 0.001 0.000 0.404 650 G HA3 -0.197 3.764 3.960 0.001 0.000 0.404 650 G C -0.523 174.405 174.900 0.047 0.000 1.292 650 G CA -0.950 44.175 45.100 0.042 0.000 0.935 650 G HN 0.173 nan 8.290 nan 0.000 0.512 651 I N 1.552 122.144 120.570 0.037 0.000 2.406 651 I HA 0.192 4.363 4.170 0.001 0.000 0.293 651 I C 0.795 176.950 176.117 0.065 0.000 1.101 651 I CA -0.050 61.270 61.300 0.034 0.000 1.334 651 I CB 0.081 38.089 38.000 0.012 0.000 1.421 651 I HN 0.251 nan 8.210 nan 0.000 0.513 652 L N 7.756 129.020 121.223 0.068 0.000 2.315 652 L HA 0.391 4.731 4.340 0.001 0.000 0.283 652 L C 0.381 177.285 176.870 0.055 0.000 1.089 652 L CA -0.226 54.670 54.840 0.094 0.000 0.833 652 L CB 0.062 42.137 42.059 0.027 0.000 1.170 652 L HN 0.577 nan 8.230 nan 0.000 0.442 653 R N 3.247 123.789 120.500 0.070 0.000 2.514 653 R HA 0.477 4.817 4.340 0.001 0.000 0.301 653 R C -0.788 175.524 176.300 0.021 0.000 0.962 653 R CA -0.649 55.467 56.100 0.027 0.000 0.882 653 R CB 2.440 32.744 30.300 0.006 0.000 1.143 653 R HN 0.552 nan 8.270 nan 0.000 0.452 654 Q N 2.400 122.197 119.800 -0.006 0.000 2.275 654 Q HA 0.281 4.622 4.340 0.001 0.000 0.266 654 Q C -1.462 174.524 176.000 -0.024 0.000 1.002 654 Q CA -0.596 55.193 55.803 -0.022 0.000 0.761 654 Q CB 2.173 30.893 28.738 -0.030 0.000 1.255 654 Q HN 0.370 nan 8.270 nan 0.000 0.446 655 V N 4.287 124.186 119.914 -0.025 0.000 2.461 655 V HA 0.200 4.320 4.120 0.001 0.000 0.275 655 V C 0.546 176.657 176.094 0.029 0.000 1.047 655 V CA -0.634 61.655 62.300 -0.019 0.000 0.955 655 V CB 0.987 32.793 31.823 -0.029 0.000 0.988 655 V HN 0.688 nan 8.190 nan 0.000 0.471 656 V N 4.743 124.683 119.914 0.043 0.000 2.814 656 V HA 0.154 4.274 4.120 0.001 0.000 0.307 656 V C -1.932 174.249 176.094 0.145 0.000 1.089 656 V CA -1.336 60.992 62.300 0.046 0.000 1.212 656 V CB -0.464 31.290 31.823 -0.115 0.000 0.912 656 V HN 0.777 nan 8.190 nan 0.000 0.497 657 P HA -0.005 nan 4.420 nan 0.000 0.261 657 P C 0.218 177.600 177.300 0.136 0.000 1.165 657 P CA 1.114 64.190 63.100 -0.041 0.000 0.759 657 P CB 0.021 31.421 31.700 -0.499 0.000 0.772 658 D N 1.820 122.330 120.400 0.183 0.000 2.751 658 D HA -0.278 4.363 4.640 0.001 0.000 0.233 658 D C 0.458 177.021 176.300 0.439 0.000 1.149 658 D CA 0.664 54.845 54.000 0.302 0.000 0.682 658 D CB -1.726 39.240 40.800 0.276 0.000 1.068 658 D HN 0.495 nan 8.370 nan 0.000 0.429 659 Y N 0.516 121.008 120.300 0.320 0.000 2.193 659 Y HA -0.241 4.309 4.550 0.001 0.000 0.285 659 Y C 2.120 178.212 175.900 0.321 0.000 1.166 659 Y CA 2.607 60.895 58.100 0.314 0.000 1.181 659 Y CB -0.164 38.390 38.460 0.156 0.000 0.976 659 Y HN 0.415 nan 8.280 nan 0.000 0.520 660 E N -1.133 119.236 120.200 0.283 0.000 2.118 660 E HA -0.263 4.087 4.350 0.001 0.000 0.195 660 E C 1.461 178.044 176.600 -0.028 0.000 0.992 660 E CA 1.837 58.300 56.400 0.106 0.000 0.804 660 E CB -0.356 29.407 29.700 0.104 0.000 0.741 660 E HN 0.739 nan 8.360 nan 0.000 0.458 661 H N -1.236 117.856 119.070 0.036 0.000 2.750 661 H HA 0.175 4.732 4.556 0.001 0.000 0.263 661 H C 1.186 176.410 175.328 -0.172 0.000 0.964 661 H CA 0.321 56.337 56.048 -0.053 0.000 1.205 661 H CB 0.836 30.590 29.762 -0.015 0.000 1.454 661 H HN 0.186 nan 8.280 nan 0.000 0.503 662 L N 1.497 122.713 121.223 -0.012 0.000 3.184 662 L HA 0.088 4.428 4.340 0.001 0.000 0.283 662 L C 1.978 178.815 176.870 -0.055 0.000 1.218 662 L CA -0.102 54.673 54.840 -0.107 0.000 1.028 662 L CB 0.009 41.999 42.059 -0.116 0.000 1.400 662 L HN 0.321 nan 8.230 nan 0.000 0.591 663 H N -0.779 118.216 119.070 -0.125 0.000 2.421 663 H HA -0.101 4.456 4.556 0.001 0.000 0.298 663 H C 0.524 175.889 175.328 0.063 0.000 1.087 663 H CA 1.395 57.318 56.048 -0.208 0.000 1.330 663 H CB -0.045 29.103 29.762 -1.023 0.000 1.388 663 H HN 0.307 nan 8.280 nan 0.000 0.526 664 D N 1.282 121.530 120.400 -0.253 0.000 2.249 664 D HA 0.096 4.736 4.640 0.001 0.000 0.205 664 D C 2.353 178.661 176.300 0.013 0.000 0.962 664 D CA 1.092 55.065 54.000 -0.044 0.000 0.860 664 D CB -0.195 40.526 40.800 -0.133 0.000 0.955 664 D HN 0.509 nan 8.370 nan 0.000 0.505 665 A N 0.327 123.109 122.820 -0.064 0.000 1.898 665 A HA -0.138 4.182 4.320 0.001 0.000 0.216 665 A C 0.585 178.165 177.584 -0.006 0.000 1.181 665 A CA 0.614 52.596 52.037 -0.092 0.000 0.620 665 A CB -0.849 18.019 19.000 -0.219 0.000 0.819 665 A HN 0.133 nan 8.150 nan 0.000 0.442 666 Y N 0.471 120.863 120.300 0.153 0.000 2.702 666 Y HA 0.189 4.740 4.550 0.001 0.000 0.336 666 Y C 0.792 176.805 175.900 0.189 0.000 1.235 666 Y CA 0.472 58.702 58.100 0.217 0.000 1.492 666 Y CB 0.317 38.990 38.460 0.355 0.000 1.308 666 Y HN 0.391 nan 8.280 nan 0.000 0.589 667 E N 4.397 124.817 120.200 0.368 0.000 2.073 667 E HA 0.303 4.654 4.350 0.001 0.000 0.269 667 E C -1.170 175.543 176.600 0.188 0.000 0.917 667 E CA -0.470 56.087 56.400 0.262 0.000 0.757 667 E CB 0.394 30.247 29.700 0.256 0.000 1.111 667 E HN 0.591 nan 8.360 nan 0.000 0.410 668 L N 4.958 126.229 121.223 0.079 0.000 2.461 668 L HA -0.021 4.319 4.340 0.001 0.000 0.272 668 L C 1.770 178.562 176.870 -0.129 0.000 1.197 668 L CA -0.391 54.403 54.840 -0.077 0.000 0.836 668 L CB 0.302 42.258 42.059 -0.172 0.000 1.105 668 L HN 0.736 nan 8.230 nan 0.000 0.477 669 L N 2.995 124.049 121.223 -0.281 0.000 2.077 669 L HA -0.271 4.069 4.340 0.001 0.000 0.231 669 L C 1.699 178.276 176.870 -0.489 0.000 1.100 669 L CA 2.367 56.890 54.840 -0.529 0.000 0.819 669 L CB -0.589 40.989 42.059 -0.802 0.000 0.913 669 L HN 0.618 nan 8.230 nan 0.000 0.446 670 W N -0.401 120.865 121.300 -0.056 0.000 3.180 670 W HA 0.059 4.719 4.660 0.001 0.000 0.254 670 W C 1.815 178.327 176.519 -0.012 0.000 1.318 670 W CA 0.240 57.567 57.345 -0.030 0.000 1.608 670 W CB -0.074 29.375 29.460 -0.018 0.000 1.124 670 W HN 0.312 nan 8.180 nan 0.000 0.694 671 E N 0.166 120.457 120.200 0.151 0.000 2.479 671 E HA 0.069 4.420 4.350 0.001 0.000 0.193 671 E C 0.583 177.236 176.600 0.089 0.000 1.049 671 E CA 0.100 56.571 56.400 0.120 0.000 0.870 671 E CB -0.031 29.734 29.700 0.109 0.000 0.944 671 E HN 0.258 nan 8.360 nan 0.000 0.492 672 M N 1.895 121.531 119.600 0.059 0.000 2.146 672 M HA 0.122 4.602 4.480 0.001 0.000 0.352 672 M C -1.791 174.546 176.300 0.061 0.000 1.343 672 M CA -1.763 53.564 55.300 0.046 0.000 1.115 672 M CB 0.580 33.170 32.600 -0.017 0.000 1.657 672 M HN -0.215 nan 8.290 nan 0.000 0.471 673 P HA -0.064 nan 4.420 nan 0.000 0.219 673 P C 0.478 177.797 177.300 0.032 0.000 1.146 673 P CA 0.796 63.918 63.100 0.038 0.000 0.808 673 P CB 0.311 32.032 31.700 0.034 0.000 0.779 674 G N -2.394 106.427 108.800 0.036 0.000 2.561 674 G HA2 0.133 4.094 3.960 0.001 0.000 0.310 674 G HA3 0.133 4.094 3.960 0.001 0.000 0.310 674 G C -0.117 174.786 174.900 0.004 0.000 1.292 674 G CA -0.366 44.748 45.100 0.023 0.000 0.811 674 G HN -0.225 nan 8.290 nan 0.000 0.482 675 N N 0.168 118.868 118.700 0.001 0.000 2.395 675 N HA 0.001 4.741 4.740 0.001 0.000 0.175 675 N C 1.336 176.946 175.510 0.168 0.000 1.029 675 N CA 0.697 53.771 53.050 0.040 0.000 0.897 675 N CB 0.193 38.681 38.487 0.001 0.000 0.991 675 N HN 0.530 nan 8.380 nan 0.000 0.441 676 D N 1.195 121.688 120.400 0.155 0.000 2.160 676 D HA -0.183 4.458 4.640 0.001 0.000 0.189 676 D C 1.926 178.326 176.300 0.166 0.000 1.003 676 D CA 1.670 55.778 54.000 0.180 0.000 0.846 676 D CB -0.500 40.396 40.800 0.160 0.000 0.949 676 D HN 0.282 nan 8.370 nan 0.000 0.446 677 G N 0.073 108.964 108.800 0.153 0.000 2.513 677 G HA2 -0.333 3.627 3.960 0.001 0.000 0.219 677 G HA3 -0.333 3.627 3.960 0.001 0.000 0.219 677 G C 1.530 176.549 174.900 0.198 0.000 1.160 677 G CA 1.253 46.442 45.100 0.147 0.000 0.767 677 G HN 0.367 nan 8.290 nan 0.000 0.571 678 Y N 1.018 121.397 120.300 0.131 0.000 2.092 678 Y HA 0.009 4.559 4.550 0.001 0.000 0.282 678 Y C 2.725 178.686 175.900 0.102 0.000 1.126 678 Y CA 1.470 59.672 58.100 0.169 0.000 1.111 678 Y CB -0.506 38.012 38.460 0.096 0.000 0.987 678 Y HN 0.073 nan 8.280 nan 0.000 0.489 679 L N 0.528 121.888 121.223 0.228 0.000 2.123 679 L HA -0.401 3.939 4.340 0.001 0.000 0.217 679 L C 2.570 179.424 176.870 -0.027 0.000 1.081 679 L CA 1.942 56.847 54.840 0.108 0.000 0.772 679 L CB -0.802 41.406 42.059 0.247 0.000 0.890 679 L HN 0.495 nan 8.230 nan 0.000 0.437 680 Q N -0.355 119.396 119.800 -0.081 0.000 2.020 680 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 680 Q C 2.413 178.254 176.000 -0.266 0.000 0.982 680 Q CA 1.399 57.007 55.803 -0.324 0.000 0.838 680 Q CB -0.199 28.338 28.738 -0.335 0.000 0.899 680 Q HN 0.545 nan 8.270 nan 0.000 0.423 681 L N 0.212 121.329 121.223 -0.176 0.000 2.042 681 L HA -0.210 4.131 4.340 0.001 0.000 0.210 681 L C 2.451 179.127 176.870 -0.323 0.000 1.076 681 L CA 0.950 55.680 54.840 -0.184 0.000 0.749 681 L CB -0.708 41.328 42.059 -0.038 0.000 0.893 681 L HN 0.137 nan 8.230 nan 0.000 0.432 682 V N 0.384 120.067 119.914 -0.386 0.000 2.287 682 V HA -0.248 3.873 4.120 0.001 0.000 0.248 682 V C 2.693 178.635 176.094 -0.254 0.000 1.053 682 V CA 2.113 64.193 62.300 -0.367 0.000 1.027 682 V CB -1.396 30.214 31.823 -0.354 0.000 0.646 682 V HN 0.584 nan 8.190 nan 0.000 0.447 683 G N -0.140 108.545 108.800 -0.192 0.000 2.440 683 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 683 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 683 G C 1.564 176.342 174.900 -0.202 0.000 1.154 683 G CA 1.206 46.214 45.100 -0.153 0.000 0.767 683 G HN 0.494 nan 8.290 nan 0.000 0.552 684 I N 0.250 120.680 120.570 -0.234 0.000 2.226 684 I HA -0.200 3.970 4.170 0.001 0.000 0.245 684 I C 2.958 178.958 176.117 -0.195 0.000 1.100 684 I CA 1.133 62.319 61.300 -0.190 0.000 1.374 684 I CB -0.278 37.647 38.000 -0.125 0.000 1.057 684 I HN 0.204 nan 8.210 nan 0.000 0.413 685 M N -0.063 119.310 119.600 -0.379 0.000 2.082 685 M HA -0.279 4.202 4.480 0.001 0.000 0.258 685 M C 2.298 178.507 176.300 -0.152 0.000 1.069 685 M CA 1.843 56.824 55.300 -0.532 0.000 1.102 685 M CB -0.448 31.640 32.600 -0.854 0.000 1.336 685 M HN 0.116 nan 8.290 nan 0.000 0.404 686 Q N 0.902 120.616 119.800 -0.144 0.000 2.500 686 Q HA -0.138 4.202 4.340 0.001 0.000 0.213 686 Q C 1.634 177.666 176.000 0.054 0.000 0.974 686 Q CA 1.350 57.135 55.803 -0.029 0.000 0.918 686 Q CB -0.318 28.398 28.738 -0.036 0.000 0.980 686 Q HN 0.470 nan 8.270 nan 0.000 0.505 687 K N -1.367 118.960 120.400 -0.121 0.000 2.217 687 K HA -0.071 4.250 4.320 0.001 0.000 0.202 687 K C 0.474 176.873 176.600 -0.334 0.000 1.051 687 K CA 1.086 57.198 56.287 -0.291 0.000 0.952 687 K CB 0.038 32.060 32.500 -0.797 0.000 0.736 687 K HN 0.215 nan 8.250 nan 0.000 0.453 688 F N 0.373 120.361 119.950 0.065 0.000 2.724 688 F HA 0.315 4.842 4.527 0.000 0.000 0.306 688 F C 0.317 176.185 175.800 0.115 0.000 1.100 688 F CA -0.692 57.360 58.000 0.086 0.000 1.255 688 F CB 0.478 39.558 39.000 0.133 0.000 1.072 688 F HN -0.159 nan 8.300 nan 0.000 0.589 689 I N 1.479 122.184 120.570 0.226 0.000 2.395 689 I HA 0.033 4.203 4.170 0.001 0.000 0.289 689 I C 0.978 177.125 176.117 0.051 0.000 1.023 689 I CA 0.012 61.413 61.300 0.168 0.000 1.350 689 I CB 0.708 38.794 38.000 0.143 0.000 1.409 689 I HN 0.136 nan 8.210 nan 0.000 0.507 690 D N 4.185 124.633 120.400 0.081 0.000 2.117 690 D HA -0.114 4.526 4.640 0.001 0.000 0.198 690 D C 1.194 177.514 176.300 0.033 0.000 0.982 690 D CA 1.456 55.481 54.000 0.042 0.000 0.828 690 D CB 0.627 41.490 40.800 0.106 0.000 0.967 690 D HN 0.624 nan 8.370 nan 0.000 0.464 691 Q N -0.130 119.711 119.800 0.068 0.000 3.065 691 Q HA 0.339 4.680 4.340 0.001 0.000 0.207 691 Q C 0.435 176.469 176.000 0.056 0.000 1.165 691 Q CA -0.442 55.404 55.803 0.073 0.000 0.371 691 Q CB 0.461 29.248 28.738 0.081 0.000 5.665 691 Q HN -0.097 nan 8.270 nan 0.000 0.313 692 S N -0.977 114.757 115.700 0.056 0.000 2.837 692 S HA 0.665 5.135 4.470 0.001 0.000 0.314 692 S C -1.232 173.396 174.600 0.047 0.000 1.098 692 S CA -0.766 57.465 58.200 0.052 0.000 0.903 692 S CB 0.749 63.982 63.200 0.056 0.000 1.310 692 S HN 0.356 nan 8.310 nan 0.000 0.581 693 I N 1.359 121.951 120.570 0.038 0.000 2.545 693 I HA 0.318 4.489 4.170 0.001 0.000 0.292 693 I C -0.315 175.823 176.117 0.035 0.000 1.040 693 I CA -0.525 60.790 61.300 0.025 0.000 1.068 693 I CB 2.239 40.230 38.000 -0.015 0.000 1.251 693 I HN 0.388 nan 8.210 nan 0.000 0.424 694 S N 4.879 120.601 115.700 0.037 0.000 4.175 694 S HA 0.311 4.781 4.470 0.001 0.000 0.193 694 S C 0.388 175.035 174.600 0.078 0.000 1.373 694 S CA -0.467 57.752 58.200 0.031 0.000 0.908 694 S CB -0.447 62.765 63.200 0.021 0.000 1.547 694 S HN 0.615 nan 8.310 nan 0.000 0.440 695 A N 3.345 126.227 122.820 0.105 0.000 2.362 695 A HA 0.459 4.780 4.320 0.001 0.000 0.276 695 A C 0.261 177.983 177.584 0.230 0.000 1.153 695 A CA -0.693 51.477 52.037 0.221 0.000 0.813 695 A CB 0.241 19.353 19.000 0.187 0.000 1.081 695 A HN 0.700 nan 8.150 nan 0.000 0.507 696 N N 0.266 119.112 118.700 0.243 0.000 2.482 696 N HA 0.591 5.332 4.740 0.001 0.000 0.279 696 N C -0.290 175.262 175.510 0.070 0.000 1.182 696 N CA -0.338 52.773 53.050 0.103 0.000 0.969 696 N CB 1.398 39.869 38.487 -0.026 0.000 1.201 696 N HN 0.677 nan 8.380 nan 0.000 0.523 697 T N -1.453 113.165 114.554 0.107 0.000 2.823 697 T HA 0.499 4.850 4.350 0.001 0.000 0.279 697 T C -0.895 173.842 174.700 0.061 0.000 0.998 697 T CA -1.070 61.090 62.100 0.100 0.000 0.994 697 T CB 0.806 69.877 68.868 0.338 0.000 0.960 697 T HN 0.332 nan 8.240 nan 0.000 0.448 698 N N 1.700 120.295 118.700 -0.173 0.000 2.284 698 N HA 0.407 5.148 4.740 0.001 0.000 0.300 698 N C -1.701 173.703 175.510 -0.177 0.000 1.047 698 N CA -0.553 52.450 53.050 -0.078 0.000 0.821 698 N CB 2.125 40.421 38.487 -0.318 0.000 1.337 698 N HN 0.684 nan 8.380 nan 0.000 0.482 699 Y N -0.426 120.114 120.300 0.401 0.000 2.354 699 Y HA 0.189 4.740 4.550 0.001 0.000 0.330 699 Y C -0.458 175.654 175.900 0.354 0.000 1.011 699 Y CA -0.977 57.349 58.100 0.377 0.000 1.099 699 Y CB 1.923 40.500 38.460 0.195 0.000 1.179 699 Y HN 0.352 nan 8.280 nan 0.000 0.442 700 D N 5.118 125.777 120.400 0.431 0.000 2.373 700 D HA 0.292 4.932 4.640 0.001 0.000 0.227 700 D C -2.061 174.395 176.300 0.259 0.000 1.091 700 D CA -2.480 51.579 54.000 0.099 0.000 0.840 700 D CB 2.055 42.873 40.800 0.030 0.000 1.060 700 D HN 0.219 nan 8.370 nan 0.000 0.502 701 P HA -0.169 nan 4.420 nan 0.000 0.215 701 P C 1.451 178.873 177.300 0.204 0.000 1.153 701 P CA 1.261 64.492 63.100 0.218 0.000 0.853 701 P CB 0.129 31.870 31.700 0.070 0.000 0.788 702 S N -0.323 115.419 115.700 0.071 0.000 2.462 702 S HA -0.199 4.271 4.470 0.001 0.000 0.243 702 S C 1.821 176.434 174.600 0.022 0.000 1.003 702 S CA 1.019 59.239 58.200 0.033 0.000 0.970 702 S CB -0.913 62.275 63.200 -0.020 0.000 0.762 702 S HN 0.128 nan 8.310 nan 0.000 0.510 703 R N -0.667 119.840 120.500 0.013 0.000 2.313 703 R HA 0.293 4.633 4.340 0.001 0.000 0.199 703 R C -0.653 175.422 176.300 -0.375 0.000 0.958 703 R CA 0.162 56.154 56.100 -0.179 0.000 1.047 703 R CB 0.007 30.148 30.300 -0.266 0.000 0.955 703 R HN 0.428 nan 8.270 nan 0.000 0.481 704 F N 0.501 120.480 119.950 0.047 0.000 2.522 704 F HA 0.356 4.883 4.527 0.001 0.000 0.324 704 F C -1.960 173.860 175.800 0.035 0.000 1.077 704 F CA -3.165 54.866 58.000 0.051 0.000 0.944 704 F CB 1.176 40.214 39.000 0.064 0.000 1.175 704 F HN -0.296 nan 8.300 nan 0.000 0.468 705 P HA 0.007 nan 4.420 nan 0.000 0.261 705 P C 0.049 177.418 177.300 0.114 0.000 1.183 705 P CA 0.491 63.667 63.100 0.127 0.000 0.761 705 P CB 0.427 32.199 31.700 0.120 0.000 0.785 706 S N 2.375 118.121 115.700 0.077 0.000 3.486 706 S HA -0.226 4.245 4.470 0.001 0.000 0.371 706 S C 1.180 175.820 174.600 0.066 0.000 1.001 706 S CA 0.810 59.045 58.200 0.059 0.000 1.164 706 S CB -2.540 60.686 63.200 0.044 0.000 0.911 706 S HN 1.211 nan 8.310 nan 0.000 0.472 707 G N -0.935 107.921 108.800 0.093 0.000 2.166 707 G HA2 -0.302 3.658 3.960 0.001 0.000 0.260 707 G HA3 -0.302 3.658 3.960 0.001 0.000 0.260 707 G C -0.107 174.843 174.900 0.084 0.000 0.986 707 G CA 0.872 46.027 45.100 0.092 0.000 0.683 707 G HN 1.088 nan 8.290 nan 0.000 0.527 708 K N -0.676 119.775 120.400 0.085 0.000 2.375 708 K HA 0.675 4.995 4.320 0.001 0.000 0.249 708 K C 0.015 176.551 176.600 -0.108 0.000 0.942 708 K CA -0.825 55.462 56.287 0.001 0.000 0.806 708 K CB 2.732 35.222 32.500 -0.017 0.000 1.227 708 K HN 0.176 nan 8.250 nan 0.000 0.430 709 V N 2.578 122.326 119.914 -0.276 0.000 2.461 709 V HA 0.342 4.462 4.120 0.001 0.000 0.275 709 V C -1.984 173.866 176.094 -0.406 0.000 1.047 709 V CA -1.577 60.340 62.300 -0.638 0.000 0.955 709 V CB 0.267 31.738 31.823 -0.587 0.000 0.988 709 V HN 0.698 nan 8.190 nan 0.000 0.471 710 P HA 0.301 nan 4.420 nan 0.000 0.293 710 P C 0.621 177.844 177.300 -0.128 0.000 1.300 710 P CA -0.696 62.309 63.100 -0.158 0.000 0.792 710 P CB 1.328 33.002 31.700 -0.044 0.000 0.925 711 M N 3.162 122.710 119.600 -0.085 0.000 2.190 711 M HA -0.322 4.158 4.480 0.001 0.000 0.252 711 M C 1.982 178.273 176.300 -0.015 0.000 1.076 711 M CA 2.216 57.487 55.300 -0.049 0.000 1.079 711 M CB -1.387 31.203 32.600 -0.016 0.000 1.303 711 M HN 0.466 nan 8.290 nan 0.000 0.412 712 Q N -0.520 119.284 119.800 0.007 0.000 2.082 712 Q HA -0.285 4.055 4.340 0.001 0.000 0.211 712 Q C 2.119 178.161 176.000 0.069 0.000 1.002 712 Q CA 2.736 58.563 55.803 0.039 0.000 0.868 712 Q CB -0.531 28.238 28.738 0.052 0.000 0.931 712 Q HN 0.692 nan 8.270 nan 0.000 0.414 713 Q N -0.487 119.363 119.800 0.084 0.000 2.119 713 Q HA -0.062 4.279 4.340 0.001 0.000 0.201 713 Q C 1.902 178.018 176.000 0.193 0.000 0.972 713 Q CA 1.456 57.363 55.803 0.174 0.000 0.847 713 Q CB -0.240 28.648 28.738 0.250 0.000 0.903 713 Q HN 0.549 nan 8.270 nan 0.000 0.433 714 L N -0.633 120.623 121.223 0.055 0.000 2.017 714 L HA -0.187 4.154 4.340 0.001 0.000 0.208 714 L C 2.265 179.207 176.870 0.120 0.000 1.073 714 L CA 1.097 55.956 54.840 0.032 0.000 0.745 714 L CB -0.514 41.480 42.059 -0.108 0.000 0.894 714 L HN 0.235 nan 8.230 nan 0.000 0.432 715 L N -0.499 120.778 121.223 0.091 0.000 2.156 715 L HA -0.175 4.165 4.340 0.001 0.000 0.208 715 L C 2.655 179.582 176.870 0.096 0.000 1.095 715 L CA 0.995 55.891 54.840 0.094 0.000 0.770 715 L CB -0.404 41.677 42.059 0.037 0.000 0.914 715 L HN 0.217 nan 8.230 nan 0.000 0.439 716 K N 0.268 120.731 120.400 0.105 0.000 2.002 716 K HA -0.202 4.118 4.320 0.001 0.000 0.209 716 K C 1.692 178.369 176.600 0.129 0.000 1.048 716 K CA 1.864 58.212 56.287 0.101 0.000 0.930 716 K CB 0.014 32.586 32.500 0.119 0.000 0.714 716 K HN 0.183 nan 8.250 nan 0.000 0.438 717 D N 0.746 121.261 120.400 0.192 0.000 2.178 717 D HA -0.167 4.474 4.640 0.001 0.000 0.201 717 D C 1.739 178.168 176.300 0.214 0.000 0.980 717 D CA 0.662 54.796 54.000 0.224 0.000 0.842 717 D CB -0.128 40.858 40.800 0.310 0.000 0.948 717 D HN 0.122 nan 8.370 nan 0.000 0.472 718 L N 0.106 121.458 121.223 0.215 0.000 2.191 718 L HA -0.069 4.271 4.340 0.001 0.000 0.212 718 L C 1.885 178.850 176.870 0.160 0.000 1.103 718 L CA 1.232 56.213 54.840 0.235 0.000 0.769 718 L CB -0.099 42.134 42.059 0.290 0.000 0.908 718 L HN 0.025 nan 8.230 nan 0.000 0.438 719 L N -2.190 119.079 121.223 0.075 0.000 2.249 719 L HA -0.040 4.301 4.340 0.001 0.000 0.207 719 L C 2.204 179.050 176.870 -0.040 0.000 1.090 719 L CA 0.841 55.652 54.840 -0.048 0.000 0.802 719 L CB -0.697 41.320 42.059 -0.071 0.000 0.947 719 L HN 0.108 nan 8.230 nan 0.000 0.453 720 T N 0.300 114.862 114.554 0.014 0.000 2.759 720 T HA -0.180 4.170 4.350 0.001 0.000 0.269 720 T C 2.012 176.769 174.700 0.095 0.000 1.042 720 T CA 1.377 63.479 62.100 0.003 0.000 1.140 720 T CB -0.139 68.814 68.868 0.142 0.000 0.864 720 T HN 0.424 nan 8.240 nan 0.000 0.455 721 A N 0.370 123.284 122.820 0.157 0.000 1.873 721 A HA -0.077 4.243 4.320 0.001 0.000 0.215 721 A C 2.094 179.777 177.584 0.166 0.000 1.186 721 A CA 1.452 53.606 52.037 0.196 0.000 0.616 721 A CB -1.008 18.125 19.000 0.222 0.000 0.823 721 A HN 0.596 nan 8.150 nan 0.000 0.442 722 Y N 0.368 120.652 120.300 -0.027 0.000 2.200 722 Y HA -0.151 4.399 4.550 0.001 0.000 0.290 722 Y C 2.385 178.302 175.900 0.030 0.000 1.137 722 Y CA 2.224 60.303 58.100 -0.036 0.000 1.163 722 Y CB -0.145 38.040 38.460 -0.458 0.000 0.988 722 Y HN 0.282 nan 8.280 nan 0.000 0.518 723 K N -0.633 119.767 120.400 -0.000 0.000 2.103 723 K HA -0.184 4.136 4.320 0.001 0.000 0.207 723 K C 1.046 177.505 176.600 -0.235 0.000 1.048 723 K CA 1.593 57.767 56.287 -0.187 0.000 0.930 723 K CB -0.347 31.890 32.500 -0.439 0.000 0.716 723 K HN 0.307 nan 8.250 nan 0.000 0.444 724 F N -0.189 119.723 119.950 -0.064 0.000 2.732 724 F HA 0.242 4.769 4.527 0.000 0.000 0.303 724 F C 1.345 177.025 175.800 -0.199 0.000 1.110 724 F CA 0.420 58.357 58.000 -0.105 0.000 1.355 724 F CB 0.624 39.590 39.000 -0.056 0.000 1.081 724 F HN 0.303 nan 8.300 nan 0.000 0.565 725 G N 0.098 108.792 108.800 -0.176 0.000 2.157 725 G HA2 -0.239 3.721 3.960 0.001 0.000 0.239 725 G HA3 -0.239 3.721 3.960 0.001 0.000 0.239 725 G C 0.073 174.820 174.900 -0.255 0.000 0.982 725 G CA 0.044 44.835 45.100 -0.515 0.000 0.650 725 G HN 0.100 nan 8.290 nan 0.000 0.527 726 V N 1.048 120.961 119.914 -0.003 0.000 2.529 726 V HA 0.189 4.309 4.120 0.001 0.000 0.292 726 V C 1.610 177.824 176.094 0.200 0.000 1.028 726 V CA 0.993 63.349 62.300 0.093 0.000 1.074 726 V CB 1.314 33.214 31.823 0.128 0.000 0.958 726 V HN 0.396 nan 8.190 nan 0.000 0.481 727 K N 2.197 122.693 120.400 0.159 0.000 2.262 727 K HA 0.095 4.415 4.320 0.001 0.000 0.200 727 K C 0.658 177.364 176.600 0.178 0.000 1.049 727 K CA 0.917 57.316 56.287 0.187 0.000 0.979 727 K CB 0.354 32.939 32.500 0.141 0.000 0.773 727 K HN 0.878 nan 8.250 nan 0.000 0.474 728 T N -1.689 112.961 114.554 0.160 0.000 2.894 728 T HA 0.587 4.937 4.350 0.001 0.000 0.309 728 T C -0.560 174.240 174.700 0.167 0.000 1.208 728 T CA -0.986 61.213 62.100 0.166 0.000 1.016 728 T CB 1.660 70.603 68.868 0.126 0.000 1.192 728 T HN -0.124 nan 8.240 nan 0.000 0.491 732 Q N 1.623 121.561 119.800 0.230 0.000 2.290 732 Q HA 0.438 4.778 4.340 0.001 0.000 0.259 732 Q C -1.018 175.106 176.000 0.207 0.000 0.941 732 Q CA -0.688 55.248 55.803 0.221 0.000 0.912 732 Q CB 0.765 29.625 28.738 0.202 0.000 1.244 732 Q HN 0.742 nan 8.270 nan 0.000 0.441 733 N N 2.806 121.643 118.700 0.229 0.000 2.421 733 N HA 0.354 5.094 4.740 0.001 0.000 0.285 733 N C -1.241 174.508 175.510 0.398 0.000 1.027 733 N CA -0.188 53.022 53.050 0.267 0.000 0.918 733 N CB 1.944 40.557 38.487 0.210 0.000 1.152 733 N HN 0.490 nan 8.380 nan 0.000 0.485 734 T N 0.562 115.306 114.554 0.316 0.000 2.824 734 T HA 0.317 4.668 4.350 0.001 0.000 0.282 734 T C 0.351 175.133 174.700 0.136 0.000 0.993 734 T CA -0.734 61.517 62.100 0.251 0.000 0.967 734 T CB 1.985 70.931 68.868 0.130 0.000 0.960 734 T HN 0.287 nan 8.240 nan 0.000 0.441 735 R N 2.943 123.377 120.500 -0.109 0.000 2.438 735 R HA 0.146 4.486 4.340 0.001 0.000 0.287 735 R C -0.326 175.843 176.300 -0.218 0.000 1.077 735 R CA -0.446 55.406 56.100 -0.413 0.000 1.034 735 R CB 0.393 29.958 30.300 -1.226 0.000 0.993 735 R HN 0.761 nan 8.270 nan 0.000 0.459 736 D N 3.886 124.200 120.400 -0.143 0.000 2.359 736 D HA 0.388 5.028 4.640 0.001 0.000 0.230 736 D C 0.238 176.470 176.300 -0.114 0.000 1.118 736 D CA -0.232 53.714 54.000 -0.090 0.000 0.844 736 D CB 1.342 42.124 40.800 -0.030 0.000 1.059 736 D HN 0.789 nan 8.370 nan 0.000 0.493 737 G N 0.000 108.736 108.800 -0.106 0.000 5.446 737 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 737 G CA 0.000 45.035 45.100 -0.109 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925