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 3hps_1_B DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSMPVNRYR PFAEEVEPIX LRNRTWPDRV DATA SEQUENCE IDRAPLWCAV DLRDGNQALI DPMSPARKRR MFDLLVRMGY KEIEVGFPSA DATA SEQUENCE SQTDFDFVRE IIEQGAIPDD VTIQVLTQCR PELIERTFQA CSGAPRAIVH DATA SEQUENCE FYNSTSILQR RVVFRANRAE VQAIATDGAR KCVEQAAKYP GTQWRFEYSP DATA SEQUENCE ESYTGTELEY AKQVCDAVGE VIAPTPERPI IFNLPATVEM TTPNVYADSI DATA SEQUENCE EWMSRNLANR ESVILSLHPH NDRGTAVAAA ELGFAAGADR IEGCLFGNGE DATA SEQUENCE RTGNVCLVTL GLNLFSRGVD PQIDFSNIDE IRRTVEYCNQ LPVHERHPYG DATA SEQUENCE GDLVYTAFSG SHQDAINKGL DAMKLDADAA DCDVDDMLWQ VPYLPIDPRD DATA SEQUENCE VGRTYEAVIR VNXXXXKGGV AYIMKTDHGL SLPRRLQIEF SQVIQKXXXX DATA SEQUENCE XXXXXXXVSP KEMWDAFAEE YLAPVRPLER IRQHVDAADD DGGTTSITAT DATA SEQUENCE VKINGVETEI SGSGNGPLAA FVHALADVGF DVAVLDYYEH AMSAGDDAQA DATA SEQUENCE AAYVEASVTI ASXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXTSKT DATA SEQUENCE VWGVGIAPSI TTASLRAVVS AVNRAAR 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.700 174.700 -0.000 0.000 1.109 18 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 18 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 19 I N 1.568 122.137 120.570 -0.001 0.000 2.396 19 I HA 0.570 4.743 4.170 0.005 0.000 0.289 19 I C 0.681 176.798 176.117 -0.000 0.000 1.056 19 I CA -0.541 60.758 61.300 -0.001 0.000 1.365 19 I CB 1.020 39.018 38.000 -0.002 0.000 1.407 19 I HN 0.707 nan 8.210 nan 0.000 0.509 20 V N 6.987 126.902 119.914 0.001 0.000 2.350 20 V HA 0.311 4.434 4.120 0.005 0.000 0.276 20 V C 0.377 176.472 176.094 0.001 0.000 1.028 20 V CA -0.886 61.414 62.300 0.001 0.000 0.860 20 V CB 1.160 32.984 31.823 0.002 0.000 0.990 20 V HN 0.735 nan 8.190 nan 0.000 0.453 21 K N 5.996 126.397 120.400 0.001 0.000 2.491 21 K HA 0.223 4.546 4.320 0.005 0.000 0.279 21 K C -2.177 174.424 176.600 0.002 0.000 1.026 21 K CA -0.957 55.330 56.287 0.001 0.000 1.070 21 K CB 0.354 32.854 32.500 0.001 0.000 0.887 21 K HN 0.661 nan 8.250 nan 0.000 0.481 22 P HA -0.004 nan 4.420 nan 0.000 0.268 22 P C -0.930 176.370 177.300 0.001 0.000 1.204 22 P CA 0.113 63.215 63.100 0.002 0.000 0.768 22 P CB 1.206 32.908 31.700 0.003 0.000 0.842 23 A N 2.584 125.405 122.820 0.001 0.000 2.671 23 A HA 0.460 4.783 4.320 0.005 0.000 0.265 23 A C 0.959 178.542 177.584 -0.002 0.000 1.148 23 A CA 0.221 52.258 52.037 -0.001 0.000 0.977 23 A CB -0.174 18.826 19.000 -0.000 0.000 1.242 23 A HN 0.593 nan 8.150 nan 0.000 0.591 24 G N 1.151 109.950 108.800 -0.002 0.000 2.634 24 G HA2 0.474 4.437 3.960 0.005 0.000 0.255 24 G HA3 0.474 4.437 3.960 0.005 0.000 0.255 24 G C -2.403 172.493 174.900 -0.007 0.000 1.205 24 G CA -1.140 43.959 45.100 -0.003 0.000 0.884 24 G HN 0.149 nan 8.290 nan 0.000 0.549 25 P HA 0.157 nan 4.420 nan 0.000 0.269 25 P C -2.325 174.964 177.300 -0.018 0.000 1.215 25 P CA -0.903 62.190 63.100 -0.013 0.000 0.780 25 P CB 0.318 32.010 31.700 -0.013 0.000 0.898 26 P HA 0.167 nan 4.420 nan 0.000 0.272 26 P C 0.140 177.418 177.300 -0.036 0.000 1.240 26 P CA -0.133 62.946 63.100 -0.035 0.000 0.791 26 P CB 0.701 32.371 31.700 -0.050 0.000 0.978 27 R N -0.067 120.408 120.500 -0.041 0.000 2.694 27 R HA 0.199 4.542 4.340 0.005 0.000 0.268 27 R C -0.221 176.052 176.300 -0.045 0.000 1.061 27 R CA -0.554 55.523 56.100 -0.037 0.000 1.133 27 R CB 0.130 30.407 30.300 -0.039 0.000 1.020 27 R HN 0.268 nan 8.270 nan 0.000 0.475 28 V N 2.673 122.566 119.914 -0.035 0.000 2.529 28 V HA 0.120 4.243 4.120 0.005 0.000 0.292 28 V C 1.349 177.416 176.094 -0.046 0.000 1.028 28 V CA 1.646 63.925 62.300 -0.037 0.000 1.074 28 V CB 0.756 32.564 31.823 -0.025 0.000 0.958 28 V HN 1.146 nan 8.190 nan 0.000 0.481 29 G N 3.546 112.311 108.800 -0.058 0.000 2.175 29 G HA2 -0.260 3.703 3.960 0.005 0.000 0.244 29 G HA3 -0.260 3.703 3.960 0.005 0.000 0.244 29 G C 0.295 175.128 174.900 -0.113 0.000 0.982 29 G CA 0.305 45.363 45.100 -0.071 0.000 0.641 29 G HN 0.764 nan 8.290 nan 0.000 0.527 30 Q N 1.424 121.149 119.800 -0.125 0.000 2.300 30 Q HA 0.425 4.768 4.340 0.005 0.000 0.280 30 Q C -1.795 174.031 176.000 -0.290 0.000 1.033 30 Q CA -1.124 54.565 55.803 -0.189 0.000 0.903 30 Q CB 0.663 29.312 28.738 -0.149 0.000 1.195 30 Q HN 0.284 nan 8.270 nan 0.000 0.386 31 P HA -0.022 nan 4.420 nan 0.000 0.272 31 P C -0.005 176.927 177.300 -0.613 0.000 1.223 31 P CA -0.069 62.592 63.100 -0.731 0.000 0.784 31 P CB 0.951 31.690 31.700 -1.602 0.000 0.923 32 S N 0.865 116.314 115.700 -0.418 0.000 2.447 32 S HA -0.111 4.362 4.470 0.005 0.000 0.233 32 S C 1.424 175.968 174.600 -0.094 0.000 1.006 32 S CA 0.289 58.376 58.200 -0.189 0.000 0.957 32 S CB -0.983 62.175 63.200 -0.071 0.000 0.773 32 S HN 0.716 nan 8.310 nan 0.000 0.507 33 W N 1.373 122.675 121.300 0.004 0.000 3.077 33 W HA 0.364 5.026 4.660 0.005 0.000 0.245 33 W C 0.245 176.766 176.519 0.004 0.000 1.316 33 W CA -0.430 56.917 57.345 0.004 0.000 1.537 33 W CB -0.718 28.745 29.460 0.004 0.000 1.131 33 W HN 0.241 nan 8.180 nan 0.000 0.695 34 N N 2.926 121.602 118.700 -0.040 0.000 2.621 34 N HA 0.185 4.927 4.740 0.005 0.000 0.237 34 N C -2.104 173.387 175.510 -0.032 0.000 0.997 34 N CA -2.259 50.792 53.050 0.002 0.000 0.918 34 N CB 1.332 39.718 38.487 -0.167 0.000 1.122 34 N HN -0.194 nan 8.380 nan 0.000 0.510 35 P HA 0.099 nan 4.420 nan 0.000 0.256 35 P C -0.261 177.040 177.300 0.002 0.000 1.384 35 P CA 0.087 63.190 63.100 0.005 0.000 0.879 35 P CB 0.229 31.943 31.700 0.024 0.000 1.403 36 Q N 0.719 120.521 119.800 0.002 0.000 2.432 36 Q HA 0.176 4.518 4.340 0.005 0.000 0.264 36 Q C 0.367 176.362 176.000 -0.009 0.000 1.035 36 Q CA 0.283 56.087 55.803 0.002 0.000 0.908 36 Q CB 0.691 29.434 28.738 0.007 0.000 1.280 36 Q HN 0.085 nan 8.270 nan 0.000 0.455 37 R N 0.309 120.806 120.500 -0.004 0.000 2.803 37 R HA 0.538 4.881 4.340 0.005 0.000 0.276 37 R C -0.910 175.388 176.300 -0.004 0.000 0.978 37 R CA -0.883 55.213 56.100 -0.007 0.000 0.939 37 R CB 1.612 31.910 30.300 -0.004 0.000 1.179 37 R HN 0.720 nan 8.270 nan 0.000 0.472 38 A N 1.634 124.451 122.820 -0.005 0.000 2.520 38 A HA 0.163 4.486 4.320 0.005 0.000 0.245 38 A C 0.768 178.354 177.584 0.003 0.000 1.072 38 A CA 0.074 52.111 52.037 -0.001 0.000 0.761 38 A CB -0.006 18.994 19.000 -0.001 0.000 1.004 38 A HN 0.779 nan 8.150 nan 0.000 0.499 39 S N 1.555 117.258 115.700 0.006 0.000 2.655 39 S HA 0.375 4.848 4.470 0.005 0.000 0.265 39 S C 0.832 175.438 174.600 0.011 0.000 1.240 39 S CA 0.072 58.277 58.200 0.008 0.000 0.986 39 S CB 0.968 64.173 63.200 0.008 0.000 0.985 39 S HN 1.509 nan 8.310 nan 0.000 0.562 40 S N 0.108 115.815 115.700 0.012 0.000 2.582 40 S HA 0.303 4.775 4.470 0.005 0.000 0.234 40 S C 0.481 175.095 174.600 0.023 0.000 0.961 40 S CA -0.634 57.575 58.200 0.015 0.000 0.953 40 S CB -0.674 62.533 63.200 0.012 0.000 0.800 40 S HN 0.667 nan 8.310 nan 0.000 0.471 41 M N 3.509 123.125 119.600 0.027 0.000 2.248 41 M HA 0.170 4.653 4.480 0.005 0.000 0.345 41 M C -2.181 174.157 176.300 0.064 0.000 1.243 41 M CA -1.198 54.127 55.300 0.041 0.000 1.090 41 M CB 0.034 32.652 32.600 0.030 0.000 1.683 41 M HN 0.003 nan 8.290 nan 0.000 0.450 42 P HA 0.097 nan 4.420 nan 0.000 0.230 42 P C 0.664 178.070 177.300 0.177 0.000 1.791 42 P CA -0.033 63.129 63.100 0.105 0.000 1.020 42 P CB -0.294 31.461 31.700 0.091 0.000 1.977 43 V N 1.913 121.916 119.914 0.148 0.000 2.469 43 V HA -0.270 3.853 4.120 0.005 0.000 0.251 43 V C 2.557 178.742 176.094 0.151 0.000 1.064 43 V CA 2.092 64.503 62.300 0.184 0.000 1.066 43 V CB -1.193 30.690 31.823 0.099 0.000 0.667 43 V HN 0.477 nan 8.190 nan 0.000 0.461 44 N N 1.495 120.233 118.700 0.064 0.000 2.430 44 N HA -0.244 4.499 4.740 0.005 0.000 0.186 44 N C 1.628 177.094 175.510 -0.073 0.000 1.032 44 N CA 1.248 54.300 53.050 0.005 0.000 0.893 44 N CB -0.410 38.072 38.487 -0.009 0.000 0.957 44 N HN 0.524 nan 8.380 nan 0.000 0.442 45 R N -0.929 119.470 120.500 -0.168 0.000 2.310 45 R HA 0.135 4.477 4.340 0.005 0.000 0.202 45 R C -0.142 175.648 176.300 -0.850 0.000 0.933 45 R CA 0.272 56.071 56.100 -0.501 0.000 1.054 45 R CB 0.038 29.948 30.300 -0.650 0.000 0.985 45 R HN 0.284 nan 8.270 nan 0.000 0.489 46 Y N -0.084 120.221 120.300 0.008 0.000 2.499 46 Y HA 0.472 5.025 4.550 0.005 0.000 0.347 46 Y C 0.180 176.088 175.900 0.014 0.000 0.987 46 Y CA -1.183 56.925 58.100 0.014 0.000 1.044 46 Y CB 1.648 40.119 38.460 0.019 0.000 1.245 46 Y HN -0.293 nan 8.280 nan 0.000 0.461 47 R N 1.464 122.050 120.500 0.143 0.000 2.854 47 R HA 0.575 4.917 4.340 0.005 0.000 0.271 47 R C -2.778 173.583 176.300 0.102 0.000 0.994 47 R CA -2.110 54.039 56.100 0.083 0.000 0.945 47 R CB 1.186 31.502 30.300 0.026 0.000 1.194 47 R HN 0.379 nan 8.270 nan 0.000 0.476 48 P HA -0.025 nan 4.420 nan 0.000 0.269 48 P C 0.073 177.444 177.300 0.119 0.000 1.215 48 P CA -0.126 63.039 63.100 0.109 0.000 0.780 48 P CB 0.354 32.105 31.700 0.083 0.000 0.898 49 F N 2.541 122.508 119.950 0.029 0.000 2.154 49 F HA -0.249 4.281 4.527 0.005 0.000 0.301 49 F C 2.066 177.870 175.800 0.006 0.000 1.087 49 F CA 2.090 60.102 58.000 0.020 0.000 1.274 49 F CB -0.639 38.374 39.000 0.021 0.000 1.009 49 F HN 0.348 nan 8.300 nan 0.000 0.485 50 A N -0.354 122.476 122.820 0.017 0.000 2.019 50 A HA -0.185 4.137 4.320 0.005 0.000 0.219 50 A C 2.072 179.566 177.584 -0.149 0.000 1.164 50 A CA 1.949 53.940 52.037 -0.077 0.000 0.644 50 A CB -0.677 18.346 19.000 0.038 0.000 0.805 50 A HN 0.597 nan 8.150 nan 0.000 0.449 51 E N -1.356 118.780 120.200 -0.107 0.000 2.216 51 E HA -0.065 4.288 4.350 0.005 0.000 0.192 51 E C 1.948 178.468 176.600 -0.133 0.000 0.973 51 E CA 0.683 57.026 56.400 -0.096 0.000 0.851 51 E CB 0.034 29.707 29.700 -0.044 0.000 0.804 51 E HN 0.628 nan 8.360 nan 0.000 0.477 52 E N 0.358 120.459 120.200 -0.165 0.000 2.072 52 E HA -0.114 4.239 4.350 0.005 0.000 0.191 52 E C 1.441 177.884 176.600 -0.262 0.000 0.985 52 E CA 1.208 57.509 56.400 -0.166 0.000 0.801 52 E CB 0.314 29.953 29.700 -0.102 0.000 0.750 52 E HN 0.045 nan 8.360 nan 0.000 0.452 53 V N -0.732 118.888 119.914 -0.490 0.000 3.669 53 V HA 0.271 4.393 4.120 0.005 0.000 0.203 53 V C 0.105 175.963 176.094 -0.393 0.000 1.149 53 V CA 0.498 62.498 62.300 -0.500 0.000 1.346 53 V CB 0.142 31.481 31.823 -0.807 0.000 1.510 53 V HN 0.411 nan 8.190 nan 0.000 0.506 54 E N 0.828 120.746 120.200 -0.469 0.000 2.396 54 E HA 0.336 4.689 4.350 0.005 0.000 0.280 54 E C -3.257 173.242 176.600 -0.169 0.000 1.065 54 E CA -1.702 54.550 56.400 -0.247 0.000 0.831 54 E CB 1.939 31.526 29.700 -0.188 0.000 1.272 54 E HN 0.230 nan 8.360 nan 0.000 0.443 55 P HA 0.223 nan 4.420 nan 0.000 0.271 55 P C -0.408 176.889 177.300 -0.005 0.000 1.220 55 P CA 0.074 63.169 63.100 -0.007 0.000 0.768 55 P CB 0.758 32.452 31.700 -0.010 0.000 0.848 59 R N 1.075 121.617 120.500 0.071 0.000 2.127 59 R HA -0.095 4.247 4.340 0.005 0.000 0.238 59 R C 0.978 177.284 176.300 0.009 0.000 1.134 59 R CA 1.909 58.029 56.100 0.033 0.000 0.975 59 R CB -1.207 29.111 30.300 0.030 0.000 0.865 59 R HN 0.820 nan 8.270 nan 0.000 0.447 60 N N 1.241 119.957 118.700 0.027 0.000 2.346 60 N HA -0.050 4.693 4.740 0.005 0.000 0.225 60 N C -0.075 175.433 175.510 -0.004 0.000 1.144 60 N CA -0.148 52.906 53.050 0.006 0.000 0.837 60 N CB -0.604 37.895 38.487 0.019 0.000 1.069 60 N HN 0.744 nan 8.380 nan 0.000 0.487 61 R N -0.711 119.779 120.500 -0.018 0.000 2.697 61 R HA 0.055 4.398 4.340 0.005 0.000 0.265 61 R C 0.287 176.493 176.300 -0.158 0.000 1.009 61 R CA 0.755 56.819 56.100 -0.059 0.000 1.099 61 R CB -0.259 29.941 30.300 -0.167 0.000 0.965 61 R HN 0.217 nan 8.270 nan 0.000 0.428 62 T N -1.735 112.753 114.554 -0.110 0.000 2.959 62 T HA -0.011 4.341 4.350 0.005 0.000 0.254 62 T C 1.527 176.155 174.700 -0.121 0.000 1.003 62 T CA -0.277 61.758 62.100 -0.109 0.000 0.950 62 T CB -0.143 68.712 68.868 -0.023 0.000 1.090 62 T HN 0.835 nan 8.240 nan 0.000 0.503 63 W N 2.328 123.627 121.300 -0.001 0.000 2.364 63 W HA 0.072 4.734 4.660 0.002 0.000 0.281 63 W C -1.836 174.681 176.519 -0.003 0.000 1.219 63 W CA 0.696 58.036 57.345 -0.008 0.000 1.220 63 W CB -2.169 27.293 29.460 0.003 0.000 1.127 63 W HN 0.314 nan 8.180 nan 0.000 0.556 64 P HA -0.074 nan 4.420 nan 0.000 0.226 64 P C 0.816 178.024 177.300 -0.154 0.000 1.153 64 P CA 1.744 64.570 63.100 -0.457 0.000 0.777 64 P CB -0.183 31.084 31.700 -0.722 0.000 0.794 65 D N -1.901 118.421 120.400 -0.130 0.000 2.369 65 D HA 0.061 4.704 4.640 0.005 0.000 0.211 65 D C 1.000 177.285 176.300 -0.025 0.000 1.077 65 D CA 0.254 54.212 54.000 -0.070 0.000 0.842 65 D CB 0.226 40.977 40.800 -0.083 0.000 0.947 65 D HN 0.089 nan 8.370 nan 0.000 0.509 66 R N 0.900 121.404 120.500 0.008 0.000 2.294 66 R HA 0.549 4.892 4.340 0.005 0.000 0.319 66 R C -0.368 175.943 176.300 0.017 0.000 0.984 66 R CA -0.491 55.613 56.100 0.006 0.000 0.861 66 R CB 0.691 30.994 30.300 0.006 0.000 1.104 66 R HN -0.054 nan 8.270 nan 0.000 0.451 67 V N 4.528 124.442 119.914 -0.001 0.000 2.394 67 V HA 0.363 4.486 4.120 0.005 0.000 0.282 67 V C 0.705 176.786 176.094 -0.022 0.000 1.031 67 V CA -0.855 61.450 62.300 0.009 0.000 0.881 67 V CB 1.439 33.271 31.823 0.016 0.000 0.982 67 V HN 0.820 nan 8.190 nan 0.000 0.451 68 I N 5.303 125.864 120.570 -0.016 0.000 2.741 68 I HA -0.006 4.167 4.170 0.005 0.000 0.288 68 I C 0.732 176.854 176.117 0.008 0.000 1.192 68 I CA 0.552 61.824 61.300 -0.047 0.000 1.426 68 I CB 0.413 38.452 38.000 0.064 0.000 1.367 68 I HN 0.861 nan 8.210 nan 0.000 0.563 69 D N 3.667 124.059 120.400 -0.013 0.000 2.527 69 D HA 0.209 4.852 4.640 0.005 0.000 0.224 69 D C 0.347 176.678 176.300 0.052 0.000 1.217 69 D CA -0.111 53.903 54.000 0.024 0.000 0.819 69 D CB 0.333 41.134 40.800 0.002 0.000 1.061 69 D HN 0.468 nan 8.370 nan 0.000 0.515 70 R N 0.210 120.765 120.500 0.091 0.000 2.707 70 R HA 0.863 5.206 4.340 0.005 0.000 0.272 70 R C -0.540 175.878 176.300 0.197 0.000 1.011 70 R CA -0.450 55.721 56.100 0.119 0.000 0.893 70 R CB 0.285 30.638 30.300 0.088 0.000 1.233 70 R HN 0.309 nan 8.270 nan 0.000 0.464 71 A N 3.425 126.308 122.820 0.104 0.000 2.498 71 A HA 0.551 4.874 4.320 0.005 0.000 0.239 71 A C -1.680 175.732 177.584 -0.287 0.000 1.068 71 A CA -0.638 51.367 52.037 -0.053 0.000 0.766 71 A CB -0.218 18.792 19.000 0.016 0.000 1.003 71 A HN 0.734 nan 8.150 nan 0.000 0.497 72 P HA 0.250 nan 4.420 nan 0.000 0.275 72 P C -0.482 176.280 177.300 -0.897 0.000 1.266 72 P CA -0.562 61.884 63.100 -1.091 0.000 0.793 72 P CB 0.490 31.142 31.700 -1.748 0.000 1.074 73 L N 1.223 122.117 121.223 -0.548 0.000 2.361 73 L HA 0.253 4.596 4.340 0.005 0.000 0.278 73 L C -0.766 175.904 176.870 -0.333 0.000 1.113 73 L CA -0.147 54.483 54.840 -0.351 0.000 0.849 73 L CB -0.688 41.272 42.059 -0.165 0.000 1.155 73 L HN 0.254 nan 8.230 nan 0.000 0.452 74 W N 4.657 125.948 121.300 -0.016 0.000 2.381 74 W HA 0.561 5.223 4.660 0.002 0.000 0.329 74 W C -0.281 176.262 176.519 0.041 0.000 1.157 74 W CA -0.549 56.820 57.345 0.040 0.000 1.240 74 W CB 1.315 30.922 29.460 0.246 0.000 1.199 74 W HN 0.647 nan 8.180 nan 0.000 0.579 75 C N 3.215 122.656 119.300 0.234 0.000 2.397 75 C HA 0.838 5.301 4.460 0.005 0.000 0.325 75 C C -0.012 174.959 174.990 -0.032 0.000 1.201 75 C CA -0.594 58.478 59.018 0.089 0.000 1.377 75 C CB -0.775 26.988 27.740 0.040 0.000 2.038 75 C HN 0.739 nan 8.230 nan 0.000 0.457 76 A N 4.541 127.263 122.820 -0.163 0.000 2.276 76 A HA 0.558 4.881 4.320 0.005 0.000 0.300 76 A C 0.589 178.097 177.584 -0.127 0.000 1.235 76 A CA 0.013 51.866 52.037 -0.307 0.000 0.867 76 A CB 0.561 19.189 19.000 -0.620 0.000 1.137 76 A HN 1.914 nan 8.150 nan 0.000 0.527 77 V N 0.036 119.892 119.914 -0.097 0.000 3.214 77 V HA 0.175 4.298 4.120 0.005 0.000 0.330 77 V C 0.526 176.613 176.094 -0.011 0.000 1.403 77 V CA 0.571 62.865 62.300 -0.010 0.000 1.143 77 V CB -0.700 31.156 31.823 0.055 0.000 1.098 77 V HN 0.670 nan 8.190 nan 0.000 0.463 78 D N 1.731 122.100 120.400 -0.051 0.000 2.149 78 D HA -0.143 4.500 4.640 0.005 0.000 0.198 78 D C 1.771 178.067 176.300 -0.008 0.000 0.990 78 D CA 1.773 55.753 54.000 -0.035 0.000 0.839 78 D CB -0.229 40.537 40.800 -0.057 0.000 0.948 78 D HN 0.500 nan 8.370 nan 0.000 0.460 79 L N -0.370 120.861 121.223 0.013 0.000 2.599 79 L HA 0.089 4.432 4.340 0.005 0.000 0.230 79 L C 2.191 179.079 176.870 0.030 0.000 1.141 79 L CA 0.189 55.032 54.840 0.005 0.000 0.877 79 L CB 0.067 42.157 42.059 0.050 0.000 1.009 79 L HN -0.000 nan 8.230 nan 0.000 0.447 80 R N -0.498 120.035 120.500 0.054 0.000 2.580 80 R HA 0.005 4.348 4.340 0.005 0.000 0.169 80 R C 1.447 177.798 176.300 0.086 0.000 1.399 80 R CA 0.530 56.680 56.100 0.083 0.000 1.206 80 R CB -0.540 29.810 30.300 0.083 0.000 1.215 80 R HN -0.018 nan 8.270 nan 0.000 0.486 81 D N 0.186 120.640 120.400 0.090 0.000 2.097 81 D HA -0.082 4.561 4.640 0.005 0.000 0.195 81 D C 1.594 177.949 176.300 0.092 0.000 0.989 81 D CA 1.750 55.822 54.000 0.120 0.000 0.827 81 D CB -0.343 40.566 40.800 0.180 0.000 0.966 81 D HN 0.483 nan 8.370 nan 0.000 0.456 82 G N 0.455 109.288 108.800 0.054 0.000 2.480 82 G HA2 -0.355 3.608 3.960 0.005 0.000 0.216 82 G HA3 -0.355 3.608 3.960 0.005 0.000 0.216 82 G C 1.701 176.617 174.900 0.027 0.000 1.200 82 G CA 1.111 46.231 45.100 0.033 0.000 0.782 82 G HN 0.297 nan 8.290 nan 0.000 0.554 83 N N 0.686 119.396 118.700 0.017 0.000 2.069 83 N HA -0.101 4.642 4.740 0.005 0.000 0.191 83 N C 2.533 178.055 175.510 0.020 0.000 1.031 83 N CA 2.370 55.420 53.050 0.001 0.000 0.852 83 N CB -0.545 37.932 38.487 -0.016 0.000 1.018 83 N HN 0.393 nan 8.380 nan 0.000 0.423 84 Q N -0.600 119.230 119.800 0.050 0.000 2.436 84 Q HA 0.292 4.635 4.340 0.005 0.000 0.209 84 Q C 1.874 177.903 176.000 0.047 0.000 0.965 84 Q CA 1.386 57.224 55.803 0.059 0.000 0.910 84 Q CB -0.783 28.015 28.738 0.101 0.000 0.980 84 Q HN 0.587 nan 8.270 nan 0.000 0.491 85 A N -0.440 122.407 122.820 0.045 0.000 2.275 85 A HA 0.465 4.788 4.320 0.005 0.000 0.212 85 A C 0.857 178.456 177.584 0.024 0.000 1.201 85 A CA -0.279 51.782 52.037 0.040 0.000 0.843 85 A CB 0.135 19.169 19.000 0.055 0.000 0.873 85 A HN 0.524 nan 8.150 nan 0.000 0.492 86 L N -0.134 121.096 121.223 0.013 0.000 2.395 86 L HA 0.253 4.595 4.340 0.005 0.000 0.269 86 L C 1.263 178.132 176.870 -0.002 0.000 1.133 86 L CA -0.454 54.386 54.840 -0.000 0.000 0.812 86 L CB 0.852 42.901 42.059 -0.017 0.000 1.125 86 L HN 0.249 nan 8.230 nan 0.000 0.452 87 I N 0.231 120.798 120.570 -0.005 0.000 2.179 87 I HA -0.178 3.995 4.170 0.005 0.000 0.242 87 I C 0.247 176.357 176.117 -0.012 0.000 1.088 87 I CA 1.420 62.716 61.300 -0.006 0.000 1.357 87 I CB -0.067 37.929 38.000 -0.006 0.000 1.051 87 I HN 0.610 nan 8.210 nan 0.000 0.409 88 D N 1.453 121.840 120.400 -0.022 0.000 2.461 88 D HA 0.307 4.950 4.640 0.005 0.000 0.240 88 D C -2.285 173.990 176.300 -0.042 0.000 1.094 88 D CA -1.270 52.712 54.000 -0.030 0.000 0.868 88 D CB 1.194 41.972 40.800 -0.037 0.000 1.062 88 D HN -0.036 nan 8.370 nan 0.000 0.530 89 P HA 0.072 nan 4.420 nan 0.000 0.271 89 P C 0.256 177.515 177.300 -0.068 0.000 1.233 89 P CA -0.194 62.880 63.100 -0.042 0.000 0.789 89 P CB 0.740 32.425 31.700 -0.025 0.000 0.951 90 M N 0.847 120.392 119.600 -0.092 0.000 2.228 90 M HA 0.115 4.598 4.480 0.005 0.000 0.351 90 M C 0.982 177.215 176.300 -0.111 0.000 1.233 90 M CA 0.035 55.257 55.300 -0.131 0.000 1.129 90 M CB 0.281 32.779 32.600 -0.169 0.000 1.604 90 M HN 0.411 nan 8.290 nan 0.000 0.457 91 S N 3.279 118.918 115.700 -0.103 0.000 2.596 91 S HA 0.211 4.683 4.470 0.005 0.000 0.260 91 S C -2.057 172.509 174.600 -0.056 0.000 1.336 91 S CA -1.072 57.093 58.200 -0.057 0.000 0.993 91 S CB 0.159 63.337 63.200 -0.036 0.000 0.923 91 S HN 0.455 nan 8.310 nan 0.000 0.567 92 P HA -0.014 nan 4.420 nan 0.000 0.216 92 P C 1.607 178.940 177.300 0.055 0.000 1.150 92 P CA 1.865 64.986 63.100 0.034 0.000 0.837 92 P CB -0.298 31.452 31.700 0.084 0.000 0.786 93 A N -0.083 122.779 122.820 0.070 0.000 1.902 93 A HA -0.217 4.105 4.320 0.005 0.000 0.217 93 A C 2.242 179.906 177.584 0.134 0.000 1.181 93 A CA 1.539 53.651 52.037 0.126 0.000 0.623 93 A CB -1.019 18.079 19.000 0.162 0.000 0.818 93 A HN 0.078 nan 8.150 nan 0.000 0.443 94 R N -0.262 120.249 120.500 0.017 0.000 2.075 94 R HA -0.072 4.271 4.340 0.005 0.000 0.232 94 R C 2.218 178.474 176.300 -0.074 0.000 1.126 94 R CA 1.487 57.532 56.100 -0.092 0.000 0.963 94 R CB -0.269 29.833 30.300 -0.330 0.000 0.858 94 R HN 0.489 nan 8.270 nan 0.000 0.435 95 K N 0.184 120.477 120.400 -0.178 0.000 2.032 95 K HA -0.198 4.124 4.320 0.005 0.000 0.209 95 K C 2.190 178.707 176.600 -0.138 0.000 1.048 95 K CA 1.392 57.443 56.287 -0.393 0.000 0.927 95 K CB -0.141 31.766 32.500 -0.989 0.000 0.712 95 K HN -0.065 nan 8.250 nan 0.000 0.441 96 R N 1.568 122.132 120.500 0.108 0.000 2.092 96 R HA -0.106 4.237 4.340 0.005 0.000 0.231 96 R C 2.117 178.596 176.300 0.298 0.000 1.119 96 R CA 1.438 57.757 56.100 0.364 0.000 0.970 96 R CB -0.263 30.233 30.300 0.326 0.000 0.864 96 R HN -0.033 nan 8.270 nan 0.000 0.440 97 R N -0.264 120.370 120.500 0.222 0.000 2.075 97 R HA -0.062 4.281 4.340 0.005 0.000 0.232 97 R C 2.025 178.434 176.300 0.181 0.000 1.126 97 R CA 1.909 58.137 56.100 0.213 0.000 0.963 97 R CB -0.535 29.948 30.300 0.306 0.000 0.858 97 R HN 0.315 nan 8.270 nan 0.000 0.435 98 M N -0.559 119.134 119.600 0.155 0.000 2.086 98 M HA -0.041 4.442 4.480 0.005 0.000 0.261 98 M C 1.737 178.123 176.300 0.144 0.000 1.067 98 M CA 1.570 56.938 55.300 0.112 0.000 1.116 98 M CB -0.715 31.916 32.600 0.050 0.000 1.348 98 M HN 0.245 nan 8.290 nan 0.000 0.407 99 F N 0.962 120.973 119.950 0.102 0.000 2.095 99 F HA -0.242 4.288 4.527 0.006 0.000 0.298 99 F C 1.716 177.581 175.800 0.109 0.000 1.104 99 F CA 2.264 60.355 58.000 0.152 0.000 1.232 99 F CB -0.607 38.590 39.000 0.328 0.000 0.987 99 F HN 0.227 nan 8.300 nan 0.000 0.475 100 D N 0.222 120.714 120.400 0.152 0.000 2.144 100 D HA -0.158 4.485 4.640 0.005 0.000 0.200 100 D C 2.226 178.500 176.300 -0.043 0.000 0.978 100 D CA 1.218 55.239 54.000 0.035 0.000 0.833 100 D CB -0.597 40.276 40.800 0.122 0.000 0.961 100 D HN 0.341 nan 8.370 nan 0.000 0.470 101 L N 0.539 121.761 121.223 -0.001 0.000 2.017 101 L HA -0.111 4.232 4.340 0.005 0.000 0.208 101 L C 2.127 178.972 176.870 -0.042 0.000 1.073 101 L CA 1.443 56.276 54.840 -0.011 0.000 0.745 101 L CB -0.535 41.544 42.059 0.032 0.000 0.894 101 L HN -0.000 nan 8.230 nan 0.000 0.432 102 L N -1.655 119.533 121.223 -0.059 0.000 2.046 102 L HA -0.203 4.140 4.340 0.005 0.000 0.208 102 L C 2.441 179.286 176.870 -0.041 0.000 1.077 102 L CA 1.008 55.852 54.840 0.007 0.000 0.747 102 L CB -0.690 41.306 42.059 -0.104 0.000 0.896 102 L HN 0.138 nan 8.230 nan 0.000 0.432 103 V N -0.143 119.619 119.914 -0.252 0.000 2.295 103 V HA -0.298 3.824 4.120 0.005 0.000 0.246 103 V C 2.643 178.640 176.094 -0.162 0.000 1.049 103 V CA 1.905 64.055 62.300 -0.249 0.000 1.024 103 V CB -0.597 31.017 31.823 -0.348 0.000 0.648 103 V HN 0.424 nan 8.190 nan 0.000 0.447 104 R N -0.726 119.691 120.500 -0.139 0.000 2.148 104 R HA -0.058 4.285 4.340 0.005 0.000 0.227 104 R C 2.227 178.421 176.300 -0.176 0.000 1.103 104 R CA 1.329 57.354 56.100 -0.126 0.000 0.983 104 R CB -0.162 30.084 30.300 -0.090 0.000 0.874 104 R HN 0.437 nan 8.270 nan 0.000 0.451 105 M N -1.556 117.921 119.600 -0.205 0.000 2.394 105 M HA 0.069 4.551 4.480 0.005 0.000 0.264 105 M C 0.991 176.992 176.300 -0.499 0.000 1.073 105 M CA 1.396 56.481 55.300 -0.358 0.000 1.111 105 M CB 0.691 33.085 32.600 -0.343 0.000 1.401 105 M HN 0.508 nan 8.290 nan 0.000 0.448 106 G N -0.767 107.795 108.800 -0.396 0.000 2.159 106 G HA2 -0.196 3.767 3.960 0.005 0.000 0.170 106 G HA3 -0.196 3.767 3.960 0.005 0.000 0.170 106 G C -0.375 174.305 174.900 -0.367 0.000 1.007 106 G CA -0.786 44.098 45.100 -0.359 0.000 0.672 106 G HN 0.377 nan 8.290 nan 0.000 0.507 107 Y N 0.812 121.021 120.300 -0.151 0.000 2.511 107 Y HA 0.426 4.980 4.550 0.006 0.000 0.332 107 Y C 1.588 177.446 175.900 -0.070 0.000 1.177 107 Y CA 0.248 58.297 58.100 -0.085 0.000 1.422 107 Y CB 0.822 39.216 38.460 -0.111 0.000 1.271 107 Y HN -0.092 nan 8.280 nan 0.000 0.550 108 K N 1.475 121.953 120.400 0.130 0.000 2.380 108 K HA 0.181 4.504 4.320 0.005 0.000 0.198 108 K C -0.454 176.184 176.600 0.064 0.000 1.070 108 K CA 0.285 56.607 56.287 0.057 0.000 1.040 108 K CB 0.738 33.257 32.500 0.032 0.000 0.903 108 K HN 0.724 nan 8.250 nan 0.000 0.549 109 E N 0.840 121.101 120.200 0.102 0.000 2.241 109 E HA 0.464 4.817 4.350 0.005 0.000 0.263 109 E C -0.904 175.740 176.600 0.074 0.000 0.882 109 E CA -0.344 56.099 56.400 0.071 0.000 0.769 109 E CB 2.247 31.976 29.700 0.048 0.000 1.185 109 E HN -0.050 nan 8.360 nan 0.000 0.415 110 I N 2.195 122.815 120.570 0.084 0.000 2.548 110 I HA 0.157 4.330 4.170 0.005 0.000 0.287 110 I C -0.511 175.687 176.117 0.135 0.000 1.103 110 I CA -0.530 60.829 61.300 0.098 0.000 1.049 110 I CB 2.207 40.297 38.000 0.149 0.000 1.232 110 I HN 0.450 nan 8.210 nan 0.000 0.429 111 E N 5.340 125.603 120.200 0.104 0.000 2.052 111 E HA 0.192 4.545 4.350 0.005 0.000 0.283 111 E C 0.723 177.412 176.600 0.149 0.000 1.071 111 E CA -0.336 56.133 56.400 0.115 0.000 0.851 111 E CB 1.152 30.912 29.700 0.099 0.000 1.066 111 E HN 0.598 nan 8.360 nan 0.000 0.396 112 V N 1.701 121.722 119.914 0.178 0.000 3.541 112 V HA 0.463 4.586 4.120 0.005 0.000 0.267 112 V C 0.757 176.990 176.094 0.233 0.000 1.213 112 V CA 0.675 63.129 62.300 0.257 0.000 1.149 112 V CB -0.520 31.442 31.823 0.231 0.000 0.822 112 V HN 0.696 nan 8.190 nan 0.000 0.462 113 G N -0.473 108.430 108.800 0.172 0.000 2.350 113 G HA2 0.213 4.176 3.960 0.005 0.000 0.282 113 G HA3 0.213 4.176 3.960 0.005 0.000 0.282 113 G C -1.245 173.793 174.900 0.231 0.000 1.314 113 G CA -0.331 44.882 45.100 0.189 0.000 0.915 113 G HN 0.217 nan 8.290 nan 0.000 0.499 114 F N 2.894 122.904 119.950 0.100 0.000 2.471 114 F HA 0.394 4.924 4.527 0.005 0.000 0.318 114 F C -1.262 174.619 175.800 0.134 0.000 1.308 114 F CA -2.327 55.739 58.000 0.111 0.000 1.162 114 F CB 1.840 40.901 39.000 0.100 0.000 1.383 114 F HN 0.245 nan 8.300 nan 0.000 0.552 115 P HA -0.174 nan 4.420 nan 0.000 0.221 115 P C 1.570 179.097 177.300 0.378 0.000 1.150 115 P CA 1.325 64.619 63.100 0.322 0.000 0.800 115 P CB 0.071 31.882 31.700 0.184 0.000 0.787 116 S N -0.298 115.616 115.700 0.356 0.000 2.453 116 S HA 0.064 4.537 4.470 0.005 0.000 0.231 116 S C 1.981 176.632 174.600 0.086 0.000 1.005 116 S CA 0.853 59.208 58.200 0.258 0.000 0.949 116 S CB -0.945 62.421 63.200 0.277 0.000 0.774 116 S HN 0.141 nan 8.310 nan 0.000 0.510 117 A N 0.257 123.036 122.820 -0.068 0.000 2.303 117 A HA 0.565 4.888 4.320 0.005 0.000 0.217 117 A C 0.942 178.414 177.584 -0.187 0.000 1.205 117 A CA 0.268 52.104 52.037 -0.335 0.000 0.875 117 A CB 0.139 18.475 19.000 -1.107 0.000 0.910 117 A HN 0.502 nan 8.150 nan 0.000 0.501 118 S N -0.880 114.799 115.700 -0.036 0.000 2.720 118 S HA 0.366 4.839 4.470 0.005 0.000 0.278 118 S C 0.270 174.929 174.600 0.098 0.000 1.172 118 S CA -0.403 57.806 58.200 0.014 0.000 1.019 118 S CB 1.521 64.742 63.200 0.035 0.000 1.049 118 S HN 0.210 nan 8.310 nan 0.000 0.483 119 Q N 3.242 123.080 119.800 0.063 0.000 2.170 119 Q HA -0.072 4.271 4.340 0.005 0.000 0.203 119 Q C 1.895 177.984 176.000 0.149 0.000 0.976 119 Q CA 2.892 58.748 55.803 0.090 0.000 0.858 119 Q CB -0.569 28.182 28.738 0.021 0.000 0.907 119 Q HN 0.919 nan 8.270 nan 0.000 0.433 120 T N -2.313 112.307 114.554 0.110 0.000 2.821 120 T HA -0.097 4.256 4.350 0.005 0.000 0.267 120 T C 1.252 176.052 174.700 0.167 0.000 1.046 120 T CA 1.195 63.365 62.100 0.117 0.000 1.139 120 T CB -0.346 68.561 68.868 0.064 0.000 0.871 120 T HN 0.158 nan 8.240 nan 0.000 0.454 121 D N 0.587 121.090 120.400 0.171 0.000 2.097 121 D HA 0.004 4.647 4.640 0.005 0.000 0.195 121 D C 1.564 178.009 176.300 0.242 0.000 0.989 121 D CA 0.643 54.773 54.000 0.215 0.000 0.827 121 D CB -0.628 40.295 40.800 0.206 0.000 0.966 121 D HN 0.416 nan 8.370 nan 0.000 0.456 122 F N 1.704 121.720 119.950 0.110 0.000 2.091 122 F HA -0.239 4.291 4.527 0.005 0.000 0.299 122 F C 1.877 177.719 175.800 0.070 0.000 1.103 122 F CA 1.569 59.620 58.000 0.084 0.000 1.228 122 F CB 0.064 39.103 39.000 0.065 0.000 0.984 122 F HN -0.158 nan 8.300 nan 0.000 0.477 123 D N -0.212 120.386 120.400 0.330 0.000 2.123 123 D HA -0.231 4.412 4.640 0.005 0.000 0.196 123 D C 2.030 178.402 176.300 0.120 0.000 0.992 123 D CA 1.403 55.535 54.000 0.219 0.000 0.833 123 D CB -0.779 40.135 40.800 0.191 0.000 0.954 123 D HN 0.338 nan 8.370 nan 0.000 0.455 124 F N 1.507 121.456 119.950 -0.001 0.000 2.102 124 F HA -0.191 4.339 4.527 0.004 0.000 0.298 124 F C 2.188 177.907 175.800 -0.136 0.000 1.105 124 F CA 0.912 58.876 58.000 -0.060 0.000 1.239 124 F CB -0.396 38.576 39.000 -0.046 0.000 0.991 124 F HN -0.213 nan 8.300 nan 0.000 0.474 125 V N 1.140 120.905 119.914 -0.247 0.000 2.343 125 V HA -0.290 3.833 4.120 0.005 0.000 0.247 125 V C 2.637 178.487 176.094 -0.408 0.000 1.051 125 V CA 1.901 63.960 62.300 -0.401 0.000 1.036 125 V CB -0.735 30.913 31.823 -0.292 0.000 0.654 125 V HN 0.225 nan 8.190 nan 0.000 0.451 126 R N 0.250 120.555 120.500 -0.326 0.000 2.083 126 R HA -0.195 4.148 4.340 0.005 0.000 0.237 126 R C 2.233 178.408 176.300 -0.208 0.000 1.137 126 R CA 1.911 57.873 56.100 -0.229 0.000 0.951 126 R CB -0.850 29.388 30.300 -0.104 0.000 0.851 126 R HN 0.773 nan 8.270 nan 0.000 0.434 127 E N 1.144 121.211 120.200 -0.221 0.000 2.038 127 E HA -0.176 4.177 4.350 0.005 0.000 0.195 127 E C 2.062 178.485 176.600 -0.295 0.000 1.000 127 E CA 1.765 58.043 56.400 -0.203 0.000 0.803 127 E CB -0.197 29.410 29.700 -0.154 0.000 0.750 127 E HN 0.449 nan 8.360 nan 0.000 0.448 128 I N -1.203 119.046 120.570 -0.535 0.000 2.361 128 I HA -0.182 3.991 4.170 0.005 0.000 0.251 128 I C 2.281 178.193 176.117 -0.341 0.000 1.133 128 I CA 1.095 62.068 61.300 -0.544 0.000 1.413 128 I CB -0.386 37.019 38.000 -0.991 0.000 1.073 128 I HN 0.103 nan 8.210 nan 0.000 0.424 129 I N 1.568 121.951 120.570 -0.311 0.000 2.163 129 I HA -0.207 3.966 4.170 0.005 0.000 0.240 129 I C 2.603 178.636 176.117 -0.140 0.000 1.081 129 I CA 1.645 62.822 61.300 -0.204 0.000 1.353 129 I CB -0.424 37.459 38.000 -0.194 0.000 1.054 129 I HN 0.215 nan 8.210 nan 0.000 0.407 130 E N 0.310 120.433 120.200 -0.128 0.000 2.268 130 E HA -0.214 4.139 4.350 0.005 0.000 0.195 130 E C 1.766 178.328 176.600 -0.064 0.000 0.995 130 E CA 0.741 57.095 56.400 -0.077 0.000 0.836 130 E CB -0.003 29.662 29.700 -0.057 0.000 0.763 130 E HN 0.555 nan 8.360 nan 0.000 0.491 131 Q N -0.518 119.233 119.800 -0.082 0.000 2.360 131 Q HA 0.107 4.450 4.340 0.005 0.000 0.202 131 Q C 0.585 176.560 176.000 -0.042 0.000 0.915 131 Q CA 0.257 56.028 55.803 -0.054 0.000 0.943 131 Q CB 0.988 29.695 28.738 -0.051 0.000 1.064 131 Q HN 0.328 nan 8.270 nan 0.000 0.511 132 G N 1.101 109.869 108.800 -0.054 0.000 2.273 132 G HA2 -0.337 3.626 3.960 0.005 0.000 0.280 132 G HA3 -0.337 3.626 3.960 0.005 0.000 0.280 132 G C 0.621 175.516 174.900 -0.008 0.000 1.047 132 G CA 0.336 45.416 45.100 -0.033 0.000 0.869 132 G HN 0.461 nan 8.290 nan 0.000 0.502 133 A N -0.972 121.839 122.820 -0.015 0.000 2.208 133 A HA 0.549 4.872 4.320 0.005 0.000 0.209 133 A C 1.119 178.813 177.584 0.183 0.000 1.161 133 A CA 0.665 52.745 52.037 0.071 0.000 0.782 133 A CB 0.096 19.119 19.000 0.040 0.000 0.816 133 A HN 0.770 nan 8.150 nan 0.000 0.477 134 I N 1.765 122.395 120.570 0.099 0.000 2.307 134 I HA 0.256 4.429 4.170 0.005 0.000 0.289 134 I C -2.321 173.836 176.117 0.067 0.000 1.021 134 I CA -2.076 59.314 61.300 0.152 0.000 1.224 134 I CB 1.224 39.271 38.000 0.079 0.000 1.376 134 I HN 0.010 nan 8.210 nan 0.000 0.470 135 P HA 0.020 nan 4.420 nan 0.000 0.269 135 P C 0.227 177.525 177.300 -0.003 0.000 1.215 135 P CA -0.208 62.899 63.100 0.011 0.000 0.780 135 P CB 0.498 32.194 31.700 -0.008 0.000 0.898 136 D N 0.399 120.790 120.400 -0.016 0.000 2.350 136 D HA -0.177 4.466 4.640 0.005 0.000 0.216 136 D C 0.575 176.858 176.300 -0.028 0.000 0.968 136 D CA 0.969 54.953 54.000 -0.026 0.000 0.894 136 D CB -0.613 40.170 40.800 -0.028 0.000 0.909 136 D HN 0.397 nan 8.370 nan 0.000 0.520 137 D N 0.045 120.431 120.400 -0.024 0.000 2.340 137 D HA 0.021 4.663 4.640 0.005 0.000 0.217 137 D C -0.013 176.276 176.300 -0.019 0.000 1.081 137 D CA -0.453 53.532 54.000 -0.025 0.000 0.842 137 D CB -0.034 40.749 40.800 -0.028 0.000 0.934 137 D HN 0.075 nan 8.370 nan 0.000 0.511 138 V N 0.729 120.636 119.914 -0.011 0.000 2.435 138 V HA 0.376 4.498 4.120 0.005 0.000 0.290 138 V C 0.085 176.185 176.094 0.010 0.000 1.030 138 V CA -0.476 61.829 62.300 0.007 0.000 0.881 138 V CB 1.788 33.622 31.823 0.019 0.000 0.983 138 V HN 0.042 nan 8.190 nan 0.000 0.445 139 T N 6.163 120.724 114.554 0.010 0.000 2.772 139 T HA 0.535 4.887 4.350 0.005 0.000 0.288 139 T C 0.014 174.731 174.700 0.029 0.000 0.994 139 T CA -0.191 61.904 62.100 -0.008 0.000 0.951 139 T CB 0.701 69.548 68.868 -0.034 0.000 0.933 139 T HN 0.621 nan 8.240 nan 0.000 0.447 140 I N 1.485 122.070 120.570 0.027 0.000 2.696 140 I HA 0.488 4.661 4.170 0.005 0.000 0.284 140 I C 0.031 176.164 176.117 0.026 0.000 1.129 140 I CA -0.553 60.781 61.300 0.056 0.000 1.410 140 I CB 0.618 38.625 38.000 0.013 0.000 1.399 140 I HN 0.527 nan 8.210 nan 0.000 0.579 141 Q N 5.115 124.951 119.800 0.060 0.000 2.356 141 Q HA 0.695 5.038 4.340 0.005 0.000 0.270 141 Q C -1.568 174.481 176.000 0.081 0.000 1.058 141 Q CA -0.946 54.895 55.803 0.063 0.000 0.802 141 Q CB 2.452 31.230 28.738 0.067 0.000 1.303 141 Q HN 0.783 nan 8.270 nan 0.000 0.444 142 V N 1.544 121.510 119.914 0.085 0.000 2.656 142 V HA 0.634 4.757 4.120 0.005 0.000 0.307 142 V C -0.982 175.155 176.094 0.072 0.000 1.051 142 V CA -1.107 61.241 62.300 0.080 0.000 0.893 142 V CB 1.434 33.293 31.823 0.061 0.000 0.999 142 V HN 0.777 nan 8.190 nan 0.000 0.426 143 L N 3.319 124.522 121.223 -0.034 0.000 2.334 143 L HA 0.874 5.217 4.340 0.005 0.000 0.277 143 L C 0.160 176.877 176.870 -0.255 0.000 1.075 143 L CA 0.816 55.485 54.840 -0.286 0.000 0.804 143 L CB 1.656 43.320 42.059 -0.659 0.000 1.174 143 L HN 1.114 nan 8.230 nan 0.000 0.438 144 T N 3.162 117.666 114.554 -0.083 0.000 2.923 144 T HA 0.404 4.757 4.350 0.005 0.000 0.311 144 T C -0.600 174.221 174.700 0.203 0.000 1.183 144 T CA -0.499 61.715 62.100 0.190 0.000 1.020 144 T CB 1.113 70.145 68.868 0.274 0.000 1.165 144 T HN 0.757 nan 8.240 nan 0.000 0.482 145 Q N 0.995 120.956 119.800 0.267 0.000 2.407 145 Q HA 0.268 4.611 4.340 0.005 0.000 0.214 145 Q C 0.874 176.909 176.000 0.058 0.000 1.043 145 Q CA -0.549 55.221 55.803 -0.056 0.000 0.983 145 Q CB 0.515 29.264 28.738 0.018 0.000 1.211 145 Q HN 0.802 nan 8.270 nan 0.000 0.564 146 C N 0.413 119.720 119.300 0.012 0.000 2.562 146 C HA 0.079 4.542 4.460 0.005 0.000 0.266 146 C C 0.461 175.467 174.990 0.027 0.000 1.382 146 C CA -0.164 58.882 59.018 0.047 0.000 1.742 146 C CB -0.894 26.884 27.740 0.064 0.000 1.812 146 C HN 0.560 nan 8.230 nan 0.000 0.559 147 R N 2.004 122.530 120.500 0.043 0.000 2.538 147 R HA 0.070 4.413 4.340 0.005 0.000 0.282 147 R C -1.577 174.741 176.300 0.031 0.000 1.009 147 R CA -0.558 55.563 56.100 0.036 0.000 1.063 147 R CB -0.061 30.266 30.300 0.046 0.000 0.945 147 R HN 0.183 nan 8.270 nan 0.000 0.414 148 P HA -0.197 nan 4.420 nan 0.000 0.216 148 P C 1.308 178.621 177.300 0.020 0.000 1.150 148 P CA 1.760 64.857 63.100 -0.006 0.000 0.837 148 P CB 0.116 31.801 31.700 -0.025 0.000 0.786 149 E N 0.277 120.496 120.200 0.030 0.000 2.153 149 E HA -0.153 4.200 4.350 0.005 0.000 0.194 149 E C 2.018 178.665 176.600 0.079 0.000 0.988 149 E CA 1.268 57.695 56.400 0.045 0.000 0.811 149 E CB -1.639 28.081 29.700 0.033 0.000 0.746 149 E HN 0.233 nan 8.360 nan 0.000 0.466 150 L N -0.580 120.698 121.223 0.092 0.000 2.109 150 L HA -0.001 4.342 4.340 0.005 0.000 0.207 150 L C 2.828 179.806 176.870 0.180 0.000 1.086 150 L CA 1.001 55.925 54.840 0.140 0.000 0.760 150 L CB -0.288 41.864 42.059 0.155 0.000 0.910 150 L HN 0.283 nan 8.230 nan 0.000 0.437 151 I N -0.194 120.468 120.570 0.152 0.000 2.252 151 I HA -0.260 3.913 4.170 0.005 0.000 0.245 151 I C 2.448 178.725 176.117 0.267 0.000 1.102 151 I CA 1.276 62.696 61.300 0.201 0.000 1.385 151 I CB -0.223 37.840 38.000 0.105 0.000 1.064 151 I HN 0.279 nan 8.210 nan 0.000 0.414 152 E N 0.493 120.788 120.200 0.159 0.000 2.058 152 E HA -0.292 4.061 4.350 0.005 0.000 0.194 152 E C 2.273 179.015 176.600 0.238 0.000 0.997 152 E CA 1.235 57.734 56.400 0.165 0.000 0.801 152 E CB -0.150 29.609 29.700 0.097 0.000 0.746 152 E HN 0.311 nan 8.360 nan 0.000 0.450 153 R N 0.341 120.971 120.500 0.217 0.000 2.120 153 R HA -0.114 4.229 4.340 0.005 0.000 0.234 153 R C 2.146 178.641 176.300 0.325 0.000 1.123 153 R CA 1.706 57.969 56.100 0.271 0.000 0.975 153 R CB -0.085 30.344 30.300 0.215 0.000 0.866 153 R HN 0.085 nan 8.270 nan 0.000 0.446 154 T N 0.158 114.871 114.554 0.265 0.000 2.701 154 T HA -0.096 4.257 4.350 0.005 0.000 0.263 154 T C 1.329 176.055 174.700 0.042 0.000 1.040 154 T CA 1.483 63.686 62.100 0.171 0.000 1.147 154 T CB -0.316 68.644 68.868 0.152 0.000 0.865 154 T HN 0.125 nan 8.240 nan 0.000 0.426 155 F N 1.850 121.762 119.950 -0.063 0.000 2.126 155 F HA -0.131 4.399 4.527 0.005 0.000 0.299 155 F C 2.742 178.374 175.800 -0.280 0.000 1.096 155 F CA 1.211 59.039 58.000 -0.288 0.000 1.255 155 F CB -0.659 38.050 39.000 -0.485 0.000 0.997 155 F HN 0.194 nan 8.300 nan 0.000 0.479 156 Q N -0.263 119.593 119.800 0.093 0.000 2.096 156 Q HA -0.205 4.137 4.340 0.005 0.000 0.204 156 Q C 2.514 178.551 176.000 0.061 0.000 0.982 156 Q CA 1.534 57.424 55.803 0.145 0.000 0.850 156 Q CB -0.543 28.398 28.738 0.337 0.000 0.901 156 Q HN 0.452 nan 8.270 nan 0.000 0.422 157 A N 0.024 122.809 122.820 -0.057 0.000 1.978 157 A HA -0.186 4.137 4.320 0.005 0.000 0.220 157 A C 2.004 179.388 177.584 -0.333 0.000 1.170 157 A CA 1.282 52.961 52.037 -0.596 0.000 0.636 157 A CB -0.560 18.062 19.000 -0.630 0.000 0.810 157 A HN 0.513 nan 8.150 nan 0.000 0.448 158 C N -0.053 119.163 119.300 -0.139 0.000 2.697 158 C HA 0.297 4.760 4.460 0.005 0.000 0.267 158 C C 1.525 176.474 174.990 -0.068 0.000 1.278 158 C CA -0.230 58.732 59.018 -0.093 0.000 1.708 158 C CB -1.815 25.940 27.740 0.026 0.000 1.860 158 C HN 0.583 nan 8.230 nan 0.000 0.589 159 S N 0.616 116.288 115.700 -0.046 0.000 2.575 159 S HA 0.349 4.821 4.470 0.005 0.000 0.295 159 S C 1.397 175.994 174.600 -0.006 0.000 1.267 159 S CA 1.493 59.702 58.200 0.014 0.000 1.074 159 S CB -0.003 63.252 63.200 0.091 0.000 0.829 159 S HN 1.228 nan 8.310 nan 0.000 0.497 160 G N 2.949 111.752 108.800 0.006 0.000 2.225 160 G HA2 -0.152 3.811 3.960 0.005 0.000 0.254 160 G HA3 -0.152 3.811 3.960 0.005 0.000 0.254 160 G C 0.347 175.186 174.900 -0.101 0.000 0.988 160 G CA 0.087 45.168 45.100 -0.032 0.000 0.625 160 G HN 1.639 nan 8.290 nan 0.000 0.527 161 A N 1.144 123.864 122.820 -0.167 0.000 2.498 161 A HA 0.603 4.926 4.320 0.005 0.000 0.239 161 A C 0.035 177.468 177.584 -0.252 0.000 1.068 161 A CA 0.046 51.954 52.037 -0.216 0.000 0.766 161 A CB 0.544 19.381 19.000 -0.271 0.000 1.003 161 A HN 0.172 nan 8.150 nan 0.000 0.497 162 P HA -0.040 nan 4.420 nan 0.000 0.221 162 P C 0.123 177.261 177.300 -0.271 0.000 1.150 162 P CA 1.142 64.126 63.100 -0.193 0.000 0.800 162 P CB 0.087 31.711 31.700 -0.126 0.000 0.787 163 R N -1.285 119.035 120.500 -0.300 0.000 2.680 163 R HA 0.812 5.155 4.340 0.005 0.000 0.269 163 R C -1.893 174.202 176.300 -0.341 0.000 1.026 163 R CA -1.065 54.831 56.100 -0.338 0.000 0.889 163 R CB 1.423 31.600 30.300 -0.204 0.000 1.241 163 R HN -0.113 nan 8.270 nan 0.000 0.463 164 A N 2.407 125.011 122.820 -0.360 0.000 2.589 164 A HA 0.569 4.892 4.320 0.005 0.000 0.296 164 A C -1.276 176.238 177.584 -0.117 0.000 1.062 164 A CA -0.907 51.000 52.037 -0.216 0.000 0.686 164 A CB 1.475 20.334 19.000 -0.234 0.000 1.282 164 A HN 0.650 nan 8.150 nan 0.000 0.404 165 I N 1.742 122.280 120.570 -0.053 0.000 2.315 165 I HA 0.333 4.505 4.170 0.005 0.000 0.291 165 I C -0.448 175.705 176.117 0.060 0.000 1.006 165 I CA -0.702 60.584 61.300 -0.023 0.000 1.265 165 I CB 1.676 39.667 38.000 -0.015 0.000 1.387 165 I HN 0.314 nan 8.210 nan 0.000 0.475 166 V N 6.611 126.588 119.914 0.106 0.000 2.368 166 V HA 0.108 4.231 4.120 0.005 0.000 0.266 166 V C 0.148 176.518 176.094 0.460 0.000 1.045 166 V CA -0.394 62.048 62.300 0.238 0.000 0.899 166 V CB 0.345 32.283 31.823 0.190 0.000 1.006 166 V HN 0.646 nan 8.190 nan 0.000 0.470 167 H N 6.610 125.813 119.070 0.223 0.000 2.597 167 H HA 0.528 5.088 4.556 0.005 0.000 0.303 167 H C -0.834 174.653 175.328 0.265 0.000 1.057 167 H CA -0.877 55.267 56.048 0.160 0.000 1.261 167 H CB 0.673 30.447 29.762 0.020 0.000 1.397 167 H HN 0.622 nan 8.280 nan 0.000 0.461 168 F N 4.479 124.650 119.950 0.368 0.000 2.538 168 F HA 0.534 5.064 4.527 0.005 0.000 0.325 168 F C -1.638 174.354 175.800 0.320 0.000 1.066 168 F CA -1.154 57.002 58.000 0.261 0.000 0.946 168 F CB 0.958 40.104 39.000 0.244 0.000 1.199 168 F HN 0.393 nan 8.300 nan 0.000 0.473 169 Y N 0.265 120.634 120.300 0.115 0.000 2.638 169 Y HA 0.697 5.250 4.550 0.005 0.000 0.335 169 Y C -1.906 174.074 175.900 0.133 0.000 1.155 169 Y CA -1.740 56.326 58.100 -0.057 0.000 1.046 169 Y CB 1.412 39.728 38.460 -0.241 0.000 1.303 169 Y HN 0.912 nan 8.280 nan 0.000 0.460 170 N N 0.031 118.805 118.700 0.125 0.000 2.591 170 N HA 0.337 5.080 4.740 0.005 0.000 0.263 170 N C -1.757 173.857 175.510 0.173 0.000 1.308 170 N CA -0.734 52.346 53.050 0.051 0.000 0.837 170 N CB 1.952 40.456 38.487 0.028 0.000 1.548 170 N HN 0.639 nan 8.380 nan 0.000 0.493 171 S N 0.020 115.834 115.700 0.190 0.000 2.531 171 S HA 0.272 4.744 4.470 0.005 0.000 0.279 171 S C 1.055 175.747 174.600 0.152 0.000 1.305 171 S CA -0.118 58.227 58.200 0.241 0.000 1.058 171 S CB 0.424 63.863 63.200 0.397 0.000 0.899 171 S HN 0.732 nan 8.310 nan 0.000 0.493 172 T N -1.769 112.905 114.554 0.200 0.000 3.040 172 T HA 0.161 4.514 4.350 0.005 0.000 0.266 172 T C 0.716 175.564 174.700 0.247 0.000 1.005 172 T CA -0.247 62.002 62.100 0.248 0.000 0.906 172 T CB -0.145 68.887 68.868 0.274 0.000 1.082 172 T HN 0.573 nan 8.240 nan 0.000 0.531 173 S N 0.945 116.762 115.700 0.196 0.000 2.573 173 S HA 0.347 4.820 4.470 0.005 0.000 0.277 173 S C 1.406 176.066 174.600 0.099 0.000 1.346 173 S CA -0.758 57.527 58.200 0.141 0.000 1.034 173 S CB 0.255 63.531 63.200 0.127 0.000 0.879 173 S HN 0.276 nan 8.310 nan 0.000 0.528 174 I N 0.983 121.578 120.570 0.041 0.000 2.151 174 I HA -0.202 3.971 4.170 0.005 0.000 0.243 174 I C 2.438 178.568 176.117 0.022 0.000 1.080 174 I CA 1.393 62.691 61.300 -0.004 0.000 1.339 174 I CB -0.488 37.487 38.000 -0.043 0.000 1.039 174 I HN 0.646 nan 8.210 nan 0.000 0.409 175 L N 0.468 121.712 121.223 0.035 0.000 2.017 175 L HA -0.249 4.093 4.340 0.005 0.000 0.208 175 L C 2.525 179.442 176.870 0.079 0.000 1.073 175 L CA 1.885 56.751 54.840 0.043 0.000 0.745 175 L CB -0.722 41.361 42.059 0.040 0.000 0.894 175 L HN 0.241 nan 8.230 nan 0.000 0.432 176 Q N -0.744 119.134 119.800 0.131 0.000 2.119 176 Q HA -0.181 4.162 4.340 0.005 0.000 0.201 176 Q C 2.273 178.462 176.000 0.315 0.000 0.972 176 Q CA 1.487 57.418 55.803 0.214 0.000 0.847 176 Q CB -0.158 28.766 28.738 0.309 0.000 0.903 176 Q HN 0.571 nan 8.270 nan 0.000 0.433 177 R N 0.378 121.024 120.500 0.243 0.000 2.105 177 R HA -0.141 4.202 4.340 0.005 0.000 0.239 177 R C 2.330 178.721 176.300 0.151 0.000 1.135 177 R CA 1.237 57.460 56.100 0.205 0.000 0.967 177 R CB -0.273 30.061 30.300 0.056 0.000 0.861 177 R HN 0.173 nan 8.270 nan 0.000 0.442 178 R N 0.891 121.444 120.500 0.088 0.000 2.055 178 R HA -0.093 4.250 4.340 0.005 0.000 0.228 178 R C 2.218 178.545 176.300 0.045 0.000 1.143 178 R CA 1.815 57.944 56.100 0.048 0.000 0.945 178 R CB 0.044 30.354 30.300 0.017 0.000 0.841 178 R HN 0.249 nan 8.270 nan 0.000 0.429 179 V N -2.577 117.359 119.914 0.037 0.000 3.431 179 V HA 0.127 4.250 4.120 0.005 0.000 0.253 179 V C 1.665 177.738 176.094 -0.036 0.000 1.184 179 V CA 0.353 62.654 62.300 0.002 0.000 1.104 179 V CB 0.753 32.574 31.823 -0.003 0.000 0.799 179 V HN 0.083 nan 8.190 nan 0.000 0.462 180 V N -0.302 119.577 119.914 -0.059 0.000 2.436 180 V HA 0.159 4.281 4.120 0.005 0.000 0.240 180 V C 2.204 178.055 176.094 -0.405 0.000 1.040 180 V CA 1.966 64.109 62.300 -0.260 0.000 1.052 180 V CB -0.494 31.118 31.823 -0.352 0.000 0.707 180 V HN 0.486 nan 8.190 nan 0.000 0.469 181 F N -0.346 119.622 119.950 0.030 0.000 2.619 181 F HA 0.303 4.832 4.527 0.005 0.000 0.293 181 F C 1.252 177.063 175.800 0.018 0.000 1.119 181 F CA -0.158 57.859 58.000 0.029 0.000 1.445 181 F CB -0.105 38.919 39.000 0.041 0.000 1.119 181 F HN -0.056 nan 8.300 nan 0.000 0.573 182 R N 0.421 121.006 120.500 0.143 0.000 3.158 182 R HA -0.140 4.203 4.340 0.005 0.000 0.244 182 R C -0.501 175.858 176.300 0.098 0.000 0.900 182 R CA 0.356 56.508 56.100 0.087 0.000 0.618 182 R CB -2.052 28.275 30.300 0.045 0.000 1.061 182 R HN 0.256 nan 8.270 nan 0.000 0.471 183 A N 0.972 123.862 122.820 0.117 0.000 2.454 183 A HA 0.585 4.908 4.320 0.005 0.000 0.302 183 A C -0.051 177.552 177.584 0.032 0.000 1.079 183 A CA -0.838 51.251 52.037 0.087 0.000 0.731 183 A CB 1.186 20.259 19.000 0.122 0.000 1.299 183 A HN 0.406 nan 8.150 nan 0.000 0.413 184 N N 0.392 119.099 118.700 0.010 0.000 2.405 184 N HA 0.273 5.016 4.740 0.005 0.000 0.269 184 N C 0.556 176.041 175.510 -0.041 0.000 1.249 184 N CA -0.459 52.576 53.050 -0.025 0.000 0.974 184 N CB 0.274 38.752 38.487 -0.015 0.000 1.204 184 N HN 0.605 nan 8.380 nan 0.000 0.565 185 R N -0.734 119.712 120.500 -0.091 0.000 2.081 185 R HA -0.066 4.277 4.340 0.005 0.000 0.235 185 R C 1.969 178.344 176.300 0.125 0.000 1.131 185 R CA 1.795 57.832 56.100 -0.104 0.000 0.960 185 R CB -0.747 29.430 30.300 -0.206 0.000 0.856 185 R HN 0.735 nan 8.270 nan 0.000 0.436 186 A N 1.286 124.150 122.820 0.072 0.000 1.902 186 A HA -0.218 4.105 4.320 0.005 0.000 0.217 186 A C 1.923 179.541 177.584 0.057 0.000 1.181 186 A CA 1.552 53.633 52.037 0.072 0.000 0.623 186 A CB -0.359 18.665 19.000 0.040 0.000 0.818 186 A HN 0.321 nan 8.150 nan 0.000 0.443 187 E N -0.574 119.649 120.200 0.038 0.000 2.077 187 E HA -0.111 4.242 4.350 0.005 0.000 0.193 187 E C 1.929 178.532 176.600 0.005 0.000 0.989 187 E CA 1.317 57.730 56.400 0.022 0.000 0.800 187 E CB -0.196 29.518 29.700 0.024 0.000 0.746 187 E HN 0.385 nan 8.360 nan 0.000 0.452 188 V N 0.996 120.921 119.914 0.017 0.000 2.548 188 V HA -0.238 3.885 4.120 0.005 0.000 0.249 188 V C 2.398 178.513 176.094 0.035 0.000 1.055 188 V CA 1.716 64.000 62.300 -0.027 0.000 1.065 188 V CB -0.381 31.444 31.823 0.004 0.000 0.681 188 V HN 0.273 nan 8.190 nan 0.000 0.462 189 Q N 0.287 120.151 119.800 0.106 0.000 2.084 189 Q HA -0.203 4.140 4.340 0.005 0.000 0.202 189 Q C 2.249 178.240 176.000 -0.015 0.000 0.978 189 Q CA 1.937 57.753 55.803 0.022 0.000 0.844 189 Q CB -0.282 28.479 28.738 0.039 0.000 0.898 189 Q HN 0.617 nan 8.270 nan 0.000 0.426 190 A N 0.681 123.501 122.820 -0.001 0.000 1.972 190 A HA -0.172 4.151 4.320 0.005 0.000 0.219 190 A C 1.957 179.530 177.584 -0.018 0.000 1.169 190 A CA 1.232 53.261 52.037 -0.013 0.000 0.635 190 A CB -0.654 18.344 19.000 -0.004 0.000 0.810 190 A HN 0.501 nan 8.150 nan 0.000 0.446 191 I N -0.275 120.284 120.570 -0.019 0.000 2.127 191 I HA -0.337 3.835 4.170 0.005 0.000 0.241 191 I C 3.006 179.136 176.117 0.022 0.000 1.075 191 I CA 1.259 62.551 61.300 -0.013 0.000 1.334 191 I CB -0.381 37.588 38.000 -0.051 0.000 1.040 191 I HN 0.373 nan 8.210 nan 0.000 0.405 192 A N 0.745 123.587 122.820 0.037 0.000 1.877 192 A HA -0.243 4.079 4.320 0.005 0.000 0.216 192 A C 2.449 180.040 177.584 0.013 0.000 1.186 192 A CA 2.646 54.725 52.037 0.070 0.000 0.620 192 A CB -1.308 17.625 19.000 -0.112 0.000 0.822 192 A HN 0.538 nan 8.150 nan 0.000 0.443 193 T N -2.582 111.940 114.554 -0.053 0.000 2.904 193 T HA -0.109 4.243 4.350 0.005 0.000 0.267 193 T C 1.326 175.977 174.700 -0.082 0.000 1.059 193 T CA 1.440 63.501 62.100 -0.065 0.000 1.137 193 T CB -0.415 68.415 68.868 -0.062 0.000 0.879 193 T HN 0.332 nan 8.240 nan 0.000 0.467 194 D N 1.844 122.202 120.400 -0.069 0.000 2.117 194 D HA 0.022 4.665 4.640 0.005 0.000 0.197 194 D C 2.449 178.661 176.300 -0.146 0.000 0.987 194 D CA 1.416 55.363 54.000 -0.088 0.000 0.829 194 D CB -1.004 39.763 40.800 -0.056 0.000 0.961 194 D HN 0.556 nan 8.370 nan 0.000 0.460 195 G N 0.890 109.598 108.800 -0.152 0.000 2.476 195 G HA2 -0.250 3.713 3.960 0.005 0.000 0.218 195 G HA3 -0.250 3.713 3.960 0.005 0.000 0.218 195 G C 1.724 176.231 174.900 -0.655 0.000 1.164 195 G CA 1.536 46.442 45.100 -0.323 0.000 0.768 195 G HN 0.411 nan 8.290 nan 0.000 0.560 196 A N 0.575 123.069 122.820 -0.542 0.000 1.902 196 A HA 0.003 4.325 4.320 0.005 0.000 0.217 196 A C 2.444 179.793 177.584 -0.393 0.000 1.181 196 A CA 1.668 53.397 52.037 -0.515 0.000 0.623 196 A CB -0.414 18.533 19.000 -0.089 0.000 0.818 196 A HN 0.356 nan 8.150 nan 0.000 0.443 197 R N -0.763 119.583 120.500 -0.258 0.000 2.081 197 R HA -0.160 4.183 4.340 0.005 0.000 0.235 197 R C 2.306 178.465 176.300 -0.235 0.000 1.131 197 R CA 1.708 57.687 56.100 -0.202 0.000 0.960 197 R CB -0.216 30.002 30.300 -0.137 0.000 0.856 197 R HN 0.430 nan 8.270 nan 0.000 0.436 198 K N 0.677 120.923 120.400 -0.256 0.000 2.057 198 K HA -0.110 4.213 4.320 0.005 0.000 0.207 198 K C 1.902 178.308 176.600 -0.323 0.000 1.049 198 K CA 1.553 57.692 56.287 -0.247 0.000 0.931 198 K CB -0.482 31.899 32.500 -0.198 0.000 0.714 198 K HN 0.138 nan 8.250 nan 0.000 0.440 199 C N -0.510 118.557 119.300 -0.387 0.000 2.413 199 C HA -0.068 4.395 4.460 0.005 0.000 0.276 199 C C 2.555 177.341 174.990 -0.341 0.000 1.248 199 C CA 0.869 59.682 59.018 -0.340 0.000 1.742 199 C CB -0.731 26.645 27.740 -0.607 0.000 2.017 199 C HN 0.306 nan 8.230 nan 0.000 0.481 200 V N 0.832 120.534 119.914 -0.355 0.000 2.343 200 V HA -0.232 3.890 4.120 0.005 0.000 0.247 200 V C 2.553 178.548 176.094 -0.165 0.000 1.051 200 V CA 2.296 64.478 62.300 -0.196 0.000 1.036 200 V CB -0.746 30.978 31.823 -0.165 0.000 0.654 200 V HN 0.643 nan 8.190 nan 0.000 0.451 201 E N -0.373 119.696 120.200 -0.218 0.000 2.051 201 E HA -0.260 4.093 4.350 0.005 0.000 0.192 201 E C 2.260 178.684 176.600 -0.293 0.000 0.991 201 E CA 1.324 57.600 56.400 -0.207 0.000 0.799 201 E CB -0.061 29.526 29.700 -0.189 0.000 0.748 201 E HN 0.560 nan 8.360 nan 0.000 0.449 202 Q N 0.044 119.535 119.800 -0.514 0.000 2.079 202 Q HA -0.105 4.238 4.340 0.005 0.000 0.200 202 Q C 2.174 177.743 176.000 -0.718 0.000 0.974 202 Q CA 1.261 56.572 55.803 -0.820 0.000 0.840 202 Q CB -0.377 27.342 28.738 -1.698 0.000 0.898 202 Q HN 0.375 nan 8.270 nan 0.000 0.430 203 A N 1.286 123.754 122.820 -0.587 0.000 1.940 203 A HA -0.139 4.184 4.320 0.005 0.000 0.219 203 A C 2.332 179.973 177.584 0.096 0.000 1.176 203 A CA 1.963 53.889 52.037 -0.186 0.000 0.631 203 A CB -0.647 18.489 19.000 0.226 0.000 0.814 203 A HN 0.374 nan 8.150 nan 0.000 0.446 204 A N -0.448 122.381 122.820 0.014 0.000 1.972 204 A HA -0.124 4.199 4.320 0.005 0.000 0.219 204 A C 2.035 179.622 177.584 0.004 0.000 1.169 204 A CA 1.636 53.696 52.037 0.039 0.000 0.635 204 A CB -0.357 18.637 19.000 -0.010 0.000 0.810 204 A HN 0.546 nan 8.150 nan 0.000 0.446 205 K N -1.865 118.481 120.400 -0.090 0.000 2.365 205 K HA -0.029 4.294 4.320 0.005 0.000 0.199 205 K C -0.646 175.771 176.600 -0.305 0.000 1.045 205 K CA 0.652 56.793 56.287 -0.243 0.000 0.962 205 K CB -0.016 32.235 32.500 -0.415 0.000 0.759 205 K HN 0.613 nan 8.250 nan 0.000 0.469 206 Y N 0.478 120.887 120.300 0.183 0.000 2.562 206 Y HA 0.175 4.728 4.550 0.005 0.000 0.363 206 Y C -1.891 174.273 175.900 0.440 0.000 0.991 206 Y CA -2.178 56.144 58.100 0.369 0.000 1.121 206 Y CB 1.009 39.847 38.460 0.629 0.000 1.159 206 Y HN 0.004 nan 8.280 nan 0.000 0.651 207 P HA -0.028 nan 4.420 nan 0.000 0.233 207 P C 1.342 178.750 177.300 0.179 0.000 1.167 207 P CA 0.893 64.143 63.100 0.250 0.000 0.770 207 P CB 0.417 32.203 31.700 0.143 0.000 0.837 208 G N -0.870 108.037 108.800 0.178 0.000 3.026 208 G HA2 0.047 4.009 3.960 0.005 0.000 0.208 208 G HA3 0.047 4.009 3.960 0.005 0.000 0.208 208 G C 0.085 174.970 174.900 -0.025 0.000 1.169 208 G CA 0.257 45.403 45.100 0.077 0.000 0.788 208 G HN 0.217 nan 8.290 nan 0.000 0.533 209 T N 0.794 115.290 114.554 -0.096 0.000 2.861 209 T HA 0.331 4.684 4.350 0.005 0.000 0.287 209 T C -0.739 173.619 174.700 -0.570 0.000 1.003 209 T CA -0.511 61.292 62.100 -0.495 0.000 0.977 209 T CB 2.131 70.365 68.868 -1.058 0.000 0.996 209 T HN -0.099 nan 8.240 nan 0.000 0.448 210 Q N 2.428 121.948 119.800 -0.467 0.000 2.369 210 Q HA 0.156 4.498 4.340 0.005 0.000 0.247 210 Q C -0.915 174.835 176.000 -0.417 0.000 1.083 210 Q CA 0.043 55.667 55.803 -0.298 0.000 0.905 210 Q CB 0.351 28.982 28.738 -0.178 0.000 1.305 210 Q HN 0.584 nan 8.270 nan 0.000 0.465 211 W N 2.892 124.144 121.300 -0.080 0.000 2.315 211 W HA 0.361 5.024 4.660 0.005 0.000 0.316 211 W C 0.730 176.967 176.519 -0.470 0.000 1.211 211 W CA -0.450 56.742 57.345 -0.255 0.000 1.201 211 W CB 0.960 30.336 29.460 -0.141 0.000 1.184 211 W HN 0.233 nan 8.180 nan 0.000 0.544 212 R N 1.822 122.089 120.500 -0.388 0.000 2.854 212 R HA 0.674 5.016 4.340 0.005 0.000 0.271 212 R C -1.446 174.449 176.300 -0.675 0.000 0.994 212 R CA -1.188 54.641 56.100 -0.452 0.000 0.945 212 R CB 1.957 32.146 30.300 -0.185 0.000 1.194 212 R HN 0.341 nan 8.270 nan 0.000 0.476 213 F N 0.142 120.180 119.950 0.147 0.000 2.532 213 F HA 0.390 4.920 4.527 0.005 0.000 0.321 213 F C 0.091 175.918 175.800 0.045 0.000 1.089 213 F CA -0.719 57.393 58.000 0.187 0.000 0.926 213 F CB 2.289 41.470 39.000 0.302 0.000 1.168 213 F HN 0.369 nan 8.300 nan 0.000 0.459 214 E N 2.190 122.526 120.200 0.226 0.000 2.234 214 E HA 0.302 4.655 4.350 0.005 0.000 0.266 214 E C -2.135 174.403 176.600 -0.103 0.000 0.877 214 E CA -0.796 55.578 56.400 -0.042 0.000 0.758 214 E CB 1.880 31.423 29.700 -0.262 0.000 1.170 214 E HN 0.614 nan 8.360 nan 0.000 0.415 215 Y N 2.547 122.696 120.300 -0.251 0.000 2.364 215 Y HA 0.492 5.044 4.550 0.004 0.000 0.340 215 Y C -1.345 174.553 175.900 -0.004 0.000 0.975 215 Y CA -0.626 57.269 58.100 -0.342 0.000 1.089 215 Y CB 1.860 40.154 38.460 -0.276 0.000 1.192 215 Y HN 0.373 nan 8.280 nan 0.000 0.454 216 S N 8.376 123.541 115.700 -0.893 0.000 2.498 216 S HA 0.392 4.865 4.470 0.005 0.000 0.317 216 S C -2.947 171.098 174.600 -0.925 0.000 1.090 216 S CA -1.499 56.315 58.200 -0.644 0.000 1.089 216 S CB 1.462 64.568 63.200 -0.156 0.000 0.997 216 S HN 0.479 nan 8.310 nan 0.000 0.470 217 P HA 0.126 nan 4.420 nan 0.000 0.277 217 P C -0.235 177.101 177.300 0.060 0.000 1.354 217 P CA -0.207 62.847 63.100 -0.077 0.000 0.891 217 P CB 0.298 32.081 31.700 0.139 0.000 1.058 218 E N 2.715 122.971 120.200 0.093 0.000 2.373 218 E HA 0.051 4.404 4.350 0.005 0.000 0.267 218 E C 0.002 176.712 176.600 0.184 0.000 1.032 218 E CA 0.156 56.635 56.400 0.133 0.000 0.889 218 E CB 0.315 30.165 29.700 0.250 0.000 0.984 218 E HN 0.359 nan 8.360 nan 0.000 0.425 219 S N 2.534 118.341 115.700 0.178 0.000 3.641 219 S HA -0.267 4.206 4.470 0.005 0.000 0.346 219 S C 0.484 175.219 174.600 0.224 0.000 1.074 219 S CA 0.987 59.301 58.200 0.189 0.000 1.026 219 S CB -2.149 61.151 63.200 0.166 0.000 0.908 219 S HN 0.722 nan 8.310 nan 0.000 0.479 220 Y N 2.449 122.830 120.300 0.135 0.000 2.181 220 Y HA -0.289 4.264 4.550 0.005 0.000 0.284 220 Y C 2.338 178.353 175.900 0.192 0.000 1.179 220 Y CA 2.413 60.603 58.100 0.150 0.000 1.179 220 Y CB -0.730 37.815 38.460 0.141 0.000 0.973 220 Y HN 0.608 nan 8.280 nan 0.000 0.519 221 T N -3.106 111.496 114.554 0.080 0.000 3.113 221 T HA 0.077 4.430 4.350 0.005 0.000 0.263 221 T C 1.704 176.486 174.700 0.138 0.000 1.143 221 T CA 0.682 62.802 62.100 0.033 0.000 1.090 221 T CB -0.543 68.439 68.868 0.190 0.000 0.922 221 T HN 0.429 nan 8.240 nan 0.000 0.521 222 G N 0.571 109.428 108.800 0.096 0.000 3.337 222 G HA2 0.356 4.319 3.960 0.005 0.000 0.246 222 G HA3 0.356 4.319 3.960 0.005 0.000 0.246 222 G C 0.015 174.924 174.900 0.016 0.000 1.131 222 G CA -0.360 44.781 45.100 0.068 0.000 0.773 222 G HN 0.476 nan 8.290 nan 0.000 0.544 223 T N 1.090 115.637 114.554 -0.012 0.000 2.829 223 T HA 0.398 4.750 4.350 0.005 0.000 0.280 223 T C -0.570 174.107 174.700 -0.038 0.000 0.999 223 T CA -0.548 61.570 62.100 0.029 0.000 0.983 223 T CB 2.172 71.118 68.868 0.130 0.000 0.968 223 T HN 0.179 nan 8.240 nan 0.000 0.446 224 E N 2.148 122.349 120.200 0.001 0.000 2.465 224 E HA 0.049 4.401 4.350 0.005 0.000 0.260 224 E C 1.114 177.698 176.600 -0.027 0.000 0.980 224 E CA -0.058 56.316 56.400 -0.043 0.000 0.927 224 E CB 0.290 29.980 29.700 -0.015 0.000 0.934 224 E HN 0.486 nan 8.360 nan 0.000 0.459 225 L N 2.493 123.619 121.223 -0.161 0.000 2.043 225 L HA -0.278 4.065 4.340 0.005 0.000 0.212 225 L C 2.128 178.975 176.870 -0.038 0.000 1.075 225 L CA 1.903 56.638 54.840 -0.174 0.000 0.752 225 L CB -0.683 41.004 42.059 -0.620 0.000 0.891 225 L HN 0.623 nan 8.230 nan 0.000 0.432 226 E N -0.417 119.719 120.200 -0.107 0.000 2.153 226 E HA -0.288 4.065 4.350 0.005 0.000 0.194 226 E C 2.032 178.759 176.600 0.211 0.000 0.988 226 E CA 1.466 57.952 56.400 0.144 0.000 0.811 226 E CB -0.870 28.892 29.700 0.103 0.000 0.746 226 E HN 0.559 nan 8.360 nan 0.000 0.466 227 Y N 0.836 121.162 120.300 0.043 0.000 2.220 227 Y HA -0.003 4.549 4.550 0.005 0.000 0.291 227 Y C 2.502 178.453 175.900 0.085 0.000 1.129 227 Y CA 1.287 59.418 58.100 0.051 0.000 1.161 227 Y CB -0.279 38.196 38.460 0.025 0.000 0.997 227 Y HN 0.159 nan 8.280 nan 0.000 0.522 228 A N 0.784 123.657 122.820 0.089 0.000 1.908 228 A HA -0.277 4.046 4.320 0.005 0.000 0.218 228 A C 2.233 179.815 177.584 -0.004 0.000 1.181 228 A CA 2.135 54.212 52.037 0.067 0.000 0.627 228 A CB -0.805 18.384 19.000 0.314 0.000 0.818 228 A HN 0.550 nan 8.150 nan 0.000 0.445 229 K N -0.524 119.941 120.400 0.108 0.000 2.026 229 K HA -0.243 4.080 4.320 0.005 0.000 0.208 229 K C 2.318 178.885 176.600 -0.055 0.000 1.048 229 K CA 1.736 58.061 56.287 0.062 0.000 0.929 229 K CB -0.277 32.373 32.500 0.251 0.000 0.713 229 K HN 0.621 nan 8.250 nan 0.000 0.439 230 Q N 0.454 120.235 119.800 -0.033 0.000 2.096 230 Q HA -0.155 4.188 4.340 0.005 0.000 0.204 230 Q C 1.954 177.846 176.000 -0.180 0.000 0.982 230 Q CA 1.960 57.722 55.803 -0.069 0.000 0.850 230 Q CB 0.064 28.804 28.738 0.004 0.000 0.901 230 Q HN 0.258 nan 8.270 nan 0.000 0.422 231 V N 0.039 119.757 119.914 -0.328 0.000 2.307 231 V HA -0.314 3.809 4.120 0.005 0.000 0.245 231 V C 2.525 178.424 176.094 -0.325 0.000 1.045 231 V CA 1.602 63.694 62.300 -0.347 0.000 1.024 231 V CB -0.699 30.867 31.823 -0.428 0.000 0.651 231 V HN 0.556 nan 8.190 nan 0.000 0.449 232 C N 0.206 119.292 119.300 -0.356 0.000 2.413 232 C HA -0.179 4.283 4.460 0.005 0.000 0.276 232 C C 2.591 177.324 174.990 -0.428 0.000 1.236 232 C CA 1.084 59.698 59.018 -0.672 0.000 1.735 232 C CB -1.095 25.912 27.740 -1.221 0.000 2.031 232 C HN 0.594 nan 8.230 nan 0.000 0.474 233 D N 0.791 121.031 120.400 -0.268 0.000 2.133 233 D HA -0.113 4.530 4.640 0.005 0.000 0.195 233 D C 2.275 178.561 176.300 -0.022 0.000 0.997 233 D CA 1.851 55.806 54.000 -0.076 0.000 0.840 233 D CB -0.528 40.239 40.800 -0.055 0.000 0.947 233 D HN 0.513 nan 8.370 nan 0.000 0.452 234 A N 0.321 123.096 122.820 -0.074 0.000 1.930 234 A HA -0.118 4.205 4.320 0.005 0.000 0.217 234 A C 2.528 180.089 177.584 -0.040 0.000 1.175 234 A CA 1.118 53.123 52.037 -0.055 0.000 0.627 234 A CB -0.688 18.265 19.000 -0.078 0.000 0.815 234 A HN 0.150 nan 8.150 nan 0.000 0.443 235 V N -0.042 119.827 119.914 -0.074 0.000 2.343 235 V HA -0.197 3.926 4.120 0.005 0.000 0.247 235 V C 2.821 178.993 176.094 0.130 0.000 1.051 235 V CA 2.017 64.311 62.300 -0.010 0.000 1.036 235 V CB -1.394 30.339 31.823 -0.150 0.000 0.654 235 V HN 0.613 nan 8.190 nan 0.000 0.451 236 G N -0.699 108.254 108.800 0.254 0.000 2.442 236 G HA2 -0.223 3.739 3.960 0.005 0.000 0.219 236 G HA3 -0.223 3.739 3.960 0.005 0.000 0.219 236 G C 1.474 176.446 174.900 0.119 0.000 1.141 236 G CA 0.620 45.870 45.100 0.251 0.000 0.763 236 G HN 0.472 nan 8.290 nan 0.000 0.554 237 E N 0.270 120.518 120.200 0.080 0.000 2.153 237 E HA -0.082 4.270 4.350 0.005 0.000 0.194 237 E C 2.823 179.438 176.600 0.025 0.000 0.988 237 E CA 0.730 57.156 56.400 0.043 0.000 0.811 237 E CB -0.272 29.442 29.700 0.023 0.000 0.746 237 E HN 0.363 nan 8.360 nan 0.000 0.466 238 V N 1.504 121.426 119.914 0.014 0.000 2.323 238 V HA -0.193 3.929 4.120 0.005 0.000 0.244 238 V C 2.340 178.424 176.094 -0.017 0.000 1.041 238 V CA 1.011 63.301 62.300 -0.017 0.000 1.025 238 V CB -0.285 31.510 31.823 -0.047 0.000 0.656 238 V HN 0.194 nan 8.190 nan 0.000 0.451 239 I N 0.347 120.920 120.570 0.005 0.000 2.394 239 I HA -0.046 4.127 4.170 0.005 0.000 0.251 239 I C 1.591 177.750 176.117 0.070 0.000 1.136 239 I CA 1.308 62.618 61.300 0.016 0.000 1.425 239 I CB -1.619 36.423 38.000 0.070 0.000 1.079 239 I HN 0.436 nan 8.210 nan 0.000 0.425 240 A N 1.141 123.999 122.820 0.064 0.000 2.578 240 A HA -0.134 4.189 4.320 0.005 0.000 0.298 240 A C -1.602 176.027 177.584 0.075 0.000 1.472 240 A CA 0.076 52.151 52.037 0.063 0.000 0.734 240 A CB -2.322 16.709 19.000 0.051 0.000 1.091 240 A HN 0.353 nan 8.150 nan 0.000 0.426 241 P HA 0.559 nan 4.420 nan 0.000 0.274 241 P C 0.270 177.597 177.300 0.044 0.000 1.256 241 P CA 0.757 63.894 63.100 0.061 0.000 0.795 241 P CB 1.071 32.785 31.700 0.024 0.000 1.038 242 T N -4.635 109.941 114.554 0.036 0.000 2.812 242 T HA 0.431 4.783 4.350 0.005 0.000 0.294 242 T C -2.417 172.293 174.700 0.016 0.000 1.159 242 T CA -1.894 60.222 62.100 0.027 0.000 1.008 242 T CB 1.162 70.049 68.868 0.031 0.000 1.289 242 T HN -0.005 nan 8.240 nan 0.000 0.514 243 P HA 0.020 nan 4.420 nan 0.000 0.220 243 P C 0.885 178.187 177.300 0.004 0.000 1.148 243 P CA 0.994 64.097 63.100 0.006 0.000 0.803 243 P CB 0.088 31.792 31.700 0.006 0.000 0.782 244 E N -1.221 118.984 120.200 0.008 0.000 2.170 244 E HA 0.030 4.383 4.350 0.005 0.000 0.191 244 E C 1.473 178.078 176.600 0.007 0.000 0.981 244 E CA 0.800 57.204 56.400 0.007 0.000 0.830 244 E CB -0.298 29.408 29.700 0.011 0.000 0.775 244 E HN 0.052 nan 8.360 nan 0.000 0.470 245 R N 1.668 122.178 120.500 0.016 0.000 2.651 245 R HA 0.300 4.643 4.340 0.005 0.000 0.282 245 R C -2.778 173.535 176.300 0.022 0.000 1.565 245 R CA -1.696 54.417 56.100 0.023 0.000 1.661 245 R CB -0.802 29.527 30.300 0.048 0.000 1.189 245 R HN 0.029 nan 8.270 nan 0.000 0.621 246 P HA 0.319 nan 4.420 nan 0.000 0.274 246 P C -0.196 177.078 177.300 -0.043 0.000 1.246 246 P CA -0.511 62.573 63.100 -0.026 0.000 0.795 246 P CB 1.194 32.870 31.700 -0.040 0.000 1.006 247 I N 0.943 121.445 120.570 -0.113 0.000 2.577 247 I HA 0.299 4.472 4.170 0.005 0.000 0.300 247 I C -0.084 175.840 176.117 -0.321 0.000 0.990 247 I CA -1.257 59.919 61.300 -0.205 0.000 1.283 247 I CB 0.675 38.453 38.000 -0.369 0.000 1.411 247 I HN 0.152 nan 8.210 nan 0.000 0.515 248 I N 6.942 127.348 120.570 -0.273 0.000 2.315 248 I HA 0.233 4.406 4.170 0.005 0.000 0.291 248 I C -0.929 175.011 176.117 -0.295 0.000 1.006 248 I CA -0.140 61.016 61.300 -0.239 0.000 1.265 248 I CB 0.708 38.611 38.000 -0.162 0.000 1.387 248 I HN 0.351 nan 8.210 nan 0.000 0.475 249 F N 4.934 124.865 119.950 -0.033 0.000 2.385 249 F HA 0.323 4.853 4.527 0.004 0.000 0.360 249 F C 0.346 176.075 175.800 -0.118 0.000 1.122 249 F CA -0.726 57.247 58.000 -0.045 0.000 1.090 249 F CB 1.161 40.160 39.000 -0.002 0.000 1.150 249 F HN 0.456 nan 8.300 nan 0.000 0.472 250 N N 4.713 123.424 118.700 0.018 0.000 2.392 250 N HA 0.471 5.213 4.740 0.005 0.000 0.283 250 N C -1.516 173.916 175.510 -0.131 0.000 1.003 250 N CA -0.444 52.554 53.050 -0.086 0.000 0.892 250 N CB 0.996 39.370 38.487 -0.189 0.000 1.193 250 N HN 0.554 nan 8.380 nan 0.000 0.487 251 L N 5.133 126.256 121.223 -0.166 0.000 2.356 251 L HA 0.500 4.842 4.340 0.005 0.000 0.264 251 L C -2.233 174.618 176.870 -0.032 0.000 1.029 251 L CA -1.733 52.861 54.840 -0.411 0.000 0.897 251 L CB 1.393 42.897 42.059 -0.924 0.000 1.256 251 L HN 0.414 nan 8.230 nan 0.000 0.444 252 P HA 0.183 nan 4.420 nan 0.000 0.290 252 P C -0.470 177.071 177.300 0.402 0.000 1.276 252 P CA -0.493 62.772 63.100 0.276 0.000 0.808 252 P CB 1.936 33.710 31.700 0.123 0.000 0.966 253 A N 3.265 126.259 122.820 0.291 0.000 3.004 253 A HA 0.223 4.546 4.320 0.005 0.000 0.286 253 A C 1.517 179.251 177.584 0.250 0.000 1.632 253 A CA -0.046 52.104 52.037 0.187 0.000 1.339 253 A CB -1.169 17.751 19.000 -0.133 0.000 1.136 253 A HN 0.505 nan 8.150 nan 0.000 0.577 254 T N 0.256 114.958 114.554 0.247 0.000 2.665 254 T HA -0.084 4.268 4.350 0.005 0.000 0.268 254 T C 0.804 175.530 174.700 0.042 0.000 1.035 254 T CA 1.663 63.860 62.100 0.162 0.000 1.151 254 T CB -0.122 68.810 68.868 0.107 0.000 0.862 254 T HN 0.298 nan 8.240 nan 0.000 0.438 255 V N 1.478 121.439 119.914 0.079 0.000 2.495 255 V HA 0.294 4.417 4.120 0.005 0.000 0.298 255 V C -0.117 176.018 176.094 0.068 0.000 1.031 255 V CA -1.227 61.106 62.300 0.055 0.000 0.871 255 V CB 1.831 33.688 31.823 0.058 0.000 0.988 255 V HN 0.305 nan 8.190 nan 0.000 0.432 256 E N 4.476 124.700 120.200 0.040 0.000 2.220 256 E HA 0.127 4.480 4.350 0.005 0.000 0.272 256 E C 0.588 177.187 176.600 -0.003 0.000 1.099 256 E CA -0.225 56.167 56.400 -0.014 0.000 0.907 256 E CB 0.622 30.296 29.700 -0.044 0.000 1.022 256 E HN 0.600 nan 8.360 nan 0.000 0.428 257 M N 2.675 122.272 119.600 -0.005 0.000 2.534 257 M HA 0.092 4.575 4.480 0.005 0.000 0.263 257 M C 1.003 177.280 176.300 -0.038 0.000 1.152 257 M CA 0.451 55.783 55.300 0.052 0.000 1.145 257 M CB 0.397 33.134 32.600 0.228 0.000 1.333 257 M HN 0.484 nan 8.290 nan 0.000 0.477 258 T N 0.188 114.618 114.554 -0.207 0.000 2.626 258 T HA 0.305 4.658 4.350 0.005 0.000 0.299 258 T C -0.811 173.782 174.700 -0.177 0.000 1.181 258 T CA -0.374 61.584 62.100 -0.236 0.000 1.053 258 T CB 1.248 69.786 68.868 -0.550 0.000 1.566 258 T HN 0.290 nan 8.240 nan 0.000 0.486 259 T N 1.626 116.101 114.554 -0.131 0.000 2.900 259 T HA 0.340 4.692 4.350 0.005 0.000 0.307 259 T C -1.628 173.029 174.700 -0.072 0.000 1.065 259 T CA -0.958 61.100 62.100 -0.070 0.000 1.105 259 T CB 0.608 69.464 68.868 -0.020 0.000 0.979 259 T HN 0.455 nan 8.240 nan 0.000 0.544 260 P HA -0.103 nan 4.420 nan 0.000 0.223 260 P C 1.276 178.515 177.300 -0.103 0.000 1.151 260 P CA 0.826 63.896 63.100 -0.050 0.000 0.787 260 P CB -0.052 31.617 31.700 -0.052 0.000 0.788 261 N N 0.516 119.177 118.700 -0.064 0.000 2.223 261 N HA -0.082 4.660 4.740 0.005 0.000 0.185 261 N C 1.535 177.046 175.510 0.001 0.000 1.016 261 N CA 1.100 54.120 53.050 -0.051 0.000 0.863 261 N CB -1.416 37.264 38.487 0.323 0.000 0.983 261 N HN 0.067 nan 8.380 nan 0.000 0.429 262 V N 0.410 120.322 119.914 -0.003 0.000 2.407 262 V HA -0.159 3.963 4.120 0.005 0.000 0.245 262 V C 2.218 178.295 176.094 -0.029 0.000 1.041 262 V CA 1.061 63.352 62.300 -0.015 0.000 1.040 262 V CB -1.000 30.745 31.823 -0.131 0.000 0.671 262 V HN 0.154 nan 8.190 nan 0.000 0.455 263 Y N 1.802 121.997 120.300 -0.176 0.000 2.165 263 Y HA -0.265 4.287 4.550 0.004 0.000 0.286 263 Y C 2.412 178.243 175.900 -0.115 0.000 1.155 263 Y CA 1.496 59.533 58.100 -0.105 0.000 1.164 263 Y CB -0.622 37.780 38.460 -0.096 0.000 0.978 263 Y HN 0.155 nan 8.280 nan 0.000 0.513 264 A N -0.038 122.606 122.820 -0.294 0.000 1.902 264 A HA -0.203 4.119 4.320 0.005 0.000 0.217 264 A C 1.995 179.330 177.584 -0.415 0.000 1.181 264 A CA 2.000 53.655 52.037 -0.637 0.000 0.623 264 A CB -0.883 17.233 19.000 -1.474 0.000 0.818 264 A HN 0.512 nan 8.150 nan 0.000 0.443 265 D N -0.017 120.324 120.400 -0.098 0.000 2.123 265 D HA -0.148 4.495 4.640 0.005 0.000 0.196 265 D C 2.521 178.916 176.300 0.158 0.000 0.992 265 D CA 1.895 56.035 54.000 0.234 0.000 0.833 265 D CB -0.361 40.603 40.800 0.273 0.000 0.954 265 D HN 0.582 nan 8.370 nan 0.000 0.455 266 S N 0.327 116.061 115.700 0.057 0.000 2.368 266 S HA -0.131 4.342 4.470 0.005 0.000 0.225 266 S C 2.057 176.754 174.600 0.162 0.000 1.030 266 S CA 0.608 58.879 58.200 0.118 0.000 0.999 266 S CB -0.316 62.926 63.200 0.070 0.000 0.844 266 S HN 0.094 nan 8.310 nan 0.000 0.459 267 I N 2.358 122.894 120.570 -0.057 0.000 2.252 267 I HA -0.078 4.095 4.170 0.005 0.000 0.245 267 I C 2.773 178.919 176.117 0.047 0.000 1.102 267 I CA 1.566 62.819 61.300 -0.078 0.000 1.385 267 I CB -1.523 36.324 38.000 -0.255 0.000 1.064 267 I HN 0.539 nan 8.210 nan 0.000 0.414 268 E N -0.108 120.149 120.200 0.095 0.000 2.072 268 E HA -0.280 4.073 4.350 0.005 0.000 0.191 268 E C 2.311 179.013 176.600 0.170 0.000 0.985 268 E CA 1.335 57.826 56.400 0.152 0.000 0.801 268 E CB -0.285 29.574 29.700 0.264 0.000 0.750 268 E HN 0.441 nan 8.360 nan 0.000 0.452 269 W N 0.720 122.063 121.300 0.072 0.000 2.335 269 W HA -0.255 4.408 4.660 0.005 0.000 0.311 269 W C 2.038 178.590 176.519 0.056 0.000 1.213 269 W CA 1.764 59.150 57.345 0.068 0.000 1.274 269 W CB -0.080 29.427 29.460 0.078 0.000 1.148 269 W HN 0.119 nan 8.180 nan 0.000 0.498 270 M N -0.417 119.386 119.600 0.338 0.000 2.108 270 M HA -0.208 4.275 4.480 0.005 0.000 0.261 270 M C 2.297 178.580 176.300 -0.027 0.000 1.066 270 M CA 1.982 57.373 55.300 0.152 0.000 1.107 270 M CB -1.954 30.763 32.600 0.195 0.000 1.356 270 M HN 0.093 nan 8.290 nan 0.000 0.406 271 S N -0.005 115.695 115.700 -0.001 0.000 2.382 271 S HA -0.093 4.379 4.470 0.005 0.000 0.228 271 S C 2.027 176.587 174.600 -0.067 0.000 1.027 271 S CA 1.117 59.308 58.200 -0.014 0.000 0.991 271 S CB -0.004 63.203 63.200 0.011 0.000 0.823 271 S HN 0.438 nan 8.310 nan 0.000 0.469 272 R N 0.489 120.914 120.500 -0.126 0.000 2.115 272 R HA 0.163 4.506 4.340 0.005 0.000 0.226 272 R C 1.723 177.860 176.300 -0.271 0.000 1.100 272 R CA 1.193 57.186 56.100 -0.180 0.000 0.980 272 R CB -0.127 30.049 30.300 -0.207 0.000 0.875 272 R HN 0.430 nan 8.270 nan 0.000 0.445 273 N N -0.419 118.024 118.700 -0.428 0.000 2.348 273 N HA 0.022 4.765 4.740 0.005 0.000 0.183 273 N C -0.057 175.271 175.510 -0.302 0.000 1.094 273 N CA -0.049 52.683 53.050 -0.530 0.000 0.885 273 N CB 0.460 38.214 38.487 -1.222 0.000 1.065 273 N HN -0.022 nan 8.380 nan 0.000 0.472 274 L N 2.330 123.437 121.223 -0.194 0.000 2.525 274 L HA 0.049 4.392 4.340 0.005 0.000 0.278 274 L C 0.845 177.693 176.870 -0.037 0.000 1.218 274 L CA -0.213 54.578 54.840 -0.082 0.000 0.878 274 L CB -0.349 41.708 42.059 -0.004 0.000 1.127 274 L HN 0.063 nan 8.230 nan 0.000 0.492 275 A N 3.986 126.801 122.820 -0.008 0.000 2.483 275 A HA 0.199 4.522 4.320 0.005 0.000 0.238 275 A C 1.037 178.655 177.584 0.058 0.000 1.070 275 A CA 0.267 52.315 52.037 0.017 0.000 0.770 275 A CB -0.367 18.648 19.000 0.025 0.000 1.008 275 A HN 0.930 nan 8.150 nan 0.000 0.497 276 N N -0.854 117.870 118.700 0.040 0.000 2.738 276 N HA -0.191 4.552 4.740 0.005 0.000 0.249 276 N C 0.682 176.227 175.510 0.059 0.000 1.047 276 N CA 1.117 54.196 53.050 0.049 0.000 0.707 276 N CB -0.763 37.763 38.487 0.064 0.000 0.937 276 N HN 0.791 nan 8.380 nan 0.000 0.545 277 R N 0.202 120.727 120.500 0.042 0.000 2.139 277 R HA -0.103 4.240 4.340 0.005 0.000 0.243 277 R C 2.120 178.438 176.300 0.030 0.000 1.145 277 R CA 2.812 58.937 56.100 0.042 0.000 0.976 277 R CB -0.674 29.633 30.300 0.012 0.000 0.866 277 R HN 0.608 nan 8.270 nan 0.000 0.449 278 E N -0.726 119.486 120.200 0.020 0.000 2.409 278 E HA -0.005 4.348 4.350 0.005 0.000 0.198 278 E C 1.448 178.055 176.600 0.010 0.000 1.024 278 E CA 1.292 57.699 56.400 0.012 0.000 0.861 278 E CB -0.354 29.351 29.700 0.008 0.000 0.788 278 E HN 0.480 nan 8.360 nan 0.000 0.521 279 S N -0.483 115.226 115.700 0.016 0.000 2.582 279 S HA 0.373 4.846 4.470 0.005 0.000 0.234 279 S C -0.087 174.499 174.600 -0.024 0.000 0.961 279 S CA -0.160 58.042 58.200 0.004 0.000 0.953 279 S CB 0.613 63.823 63.200 0.016 0.000 0.800 279 S HN 0.295 nan 8.310 nan 0.000 0.471 280 V N 2.288 122.195 119.914 -0.013 0.000 2.540 280 V HA 0.461 4.583 4.120 0.005 0.000 0.302 280 V C -0.443 175.632 176.094 -0.031 0.000 1.035 280 V CA -0.740 61.534 62.300 -0.043 0.000 0.873 280 V CB 1.827 33.699 31.823 0.081 0.000 0.992 280 V HN 0.308 nan 8.190 nan 0.000 0.428 281 I N 5.366 125.895 120.570 -0.069 0.000 2.297 281 I HA 0.328 4.500 4.170 0.005 0.000 0.291 281 I C -0.209 175.894 176.117 -0.024 0.000 1.033 281 I CA -0.214 61.060 61.300 -0.044 0.000 1.253 281 I CB 1.094 39.055 38.000 -0.064 0.000 1.396 281 I HN 0.364 nan 8.210 nan 0.000 0.476 282 L N 6.327 127.558 121.223 0.014 0.000 2.260 282 L HA 0.345 4.688 4.340 0.005 0.000 0.289 282 L C 0.141 177.014 176.870 0.005 0.000 1.057 282 L CA 0.191 55.053 54.840 0.036 0.000 0.811 282 L CB 1.284 43.370 42.059 0.045 0.000 1.184 282 L HN 0.582 nan 8.230 nan 0.000 0.429 283 S N 5.278 120.973 115.700 -0.010 0.000 2.537 283 S HA 0.684 5.156 4.470 0.005 0.000 0.301 283 S C -0.654 173.946 174.600 -0.001 0.000 1.092 283 S CA -0.714 57.471 58.200 -0.025 0.000 1.048 283 S CB 1.262 64.429 63.200 -0.055 0.000 1.053 283 S HN 0.528 nan 8.310 nan 0.000 0.501 284 L N 3.563 124.808 121.223 0.036 0.000 2.334 284 L HA 0.520 4.862 4.340 0.005 0.000 0.276 284 L C -0.589 176.362 176.870 0.137 0.000 1.014 284 L CA -0.730 54.188 54.840 0.129 0.000 0.815 284 L CB 1.703 43.864 42.059 0.169 0.000 1.268 284 L HN 0.872 nan 8.230 nan 0.000 0.428 285 H N 2.659 121.762 119.070 0.054 0.000 2.538 285 H HA 0.365 4.923 4.556 0.005 0.000 0.239 285 H C -2.749 172.537 175.328 -0.069 0.000 1.401 285 H CA -1.367 54.667 56.048 -0.023 0.000 1.499 285 H CB 1.093 30.850 29.762 -0.008 0.000 1.624 285 H HN 0.267 nan 8.280 nan 0.000 0.524 286 P HA 0.215 nan 4.420 nan 0.000 0.294 286 P C -0.444 176.660 177.300 -0.327 0.000 1.294 286 P CA -0.307 62.644 63.100 -0.248 0.000 0.827 286 P CB 1.275 32.788 31.700 -0.311 0.000 0.992 287 H N 1.558 120.567 119.070 -0.102 0.000 2.530 287 H HA 0.281 4.840 4.556 0.005 0.000 0.342 287 H C 0.159 175.437 175.328 -0.084 0.000 1.312 287 H CA -0.213 55.792 56.048 -0.071 0.000 1.376 287 H CB 1.166 30.922 29.762 -0.010 0.000 1.692 287 H HN 0.294 nan 8.280 nan 0.000 0.622 288 N N 0.275 119.021 118.700 0.076 0.000 2.338 288 N HA 0.001 4.743 4.740 0.005 0.000 0.251 288 N C 0.199 175.712 175.510 0.005 0.000 1.199 288 N CA -0.098 52.955 53.050 0.006 0.000 0.879 288 N CB 0.196 38.680 38.487 -0.005 0.000 1.159 288 N HN 0.419 nan 8.380 nan 0.000 0.514 289 D N -0.131 120.279 120.400 0.016 0.000 2.221 289 D HA -0.123 4.519 4.640 0.005 0.000 0.204 289 D C 0.817 177.105 176.300 -0.020 0.000 0.982 289 D CA 0.958 54.958 54.000 0.000 0.000 0.857 289 D CB 0.312 41.115 40.800 0.006 0.000 0.934 289 D HN 0.425 nan 8.370 nan 0.000 0.475 290 R N -0.555 119.928 120.500 -0.029 0.000 2.432 290 R HA 0.225 4.568 4.340 0.005 0.000 0.260 290 R C 1.082 177.358 176.300 -0.041 0.000 0.935 290 R CA 0.256 56.333 56.100 -0.037 0.000 1.080 290 R CB 0.971 31.245 30.300 -0.042 0.000 1.155 290 R HN 0.062 nan 8.270 nan 0.000 0.531 291 G N 1.475 110.250 108.800 -0.041 0.000 2.153 291 G HA2 -0.313 3.650 3.960 0.005 0.000 0.252 291 G HA3 -0.313 3.650 3.960 0.005 0.000 0.252 291 G C 0.596 175.467 174.900 -0.049 0.000 0.994 291 G CA 0.977 46.049 45.100 -0.047 0.000 0.698 291 G HN 0.433 nan 8.290 nan 0.000 0.521 292 T N -3.812 110.709 114.554 -0.054 0.000 3.252 292 T HA 0.693 5.045 4.350 0.005 0.000 0.286 292 T C 1.945 176.600 174.700 -0.075 0.000 1.013 292 T CA 0.962 63.028 62.100 -0.056 0.000 0.914 292 T CB 0.885 69.722 68.868 -0.051 0.000 1.131 292 T HN 1.234 nan 8.240 nan 0.000 0.529 293 A N 1.505 124.276 122.820 -0.081 0.000 1.877 293 A HA 0.056 4.378 4.320 0.005 0.000 0.216 293 A C 2.320 179.858 177.584 -0.077 0.000 1.186 293 A CA 1.618 53.589 52.037 -0.110 0.000 0.620 293 A CB -1.067 17.866 19.000 -0.112 0.000 0.822 293 A HN 0.412 nan 8.150 nan 0.000 0.443 294 V N -0.053 119.836 119.914 -0.042 0.000 2.287 294 V HA -0.302 3.821 4.120 0.005 0.000 0.248 294 V C 3.074 179.178 176.094 0.017 0.000 1.053 294 V CA 2.141 64.441 62.300 -0.001 0.000 1.027 294 V CB -1.326 30.503 31.823 0.011 0.000 0.646 294 V HN 0.634 nan 8.190 nan 0.000 0.447 295 A N -0.131 122.690 122.820 0.001 0.000 1.902 295 A HA -0.134 4.189 4.320 0.005 0.000 0.217 295 A C 2.427 180.010 177.584 -0.002 0.000 1.181 295 A CA 2.173 54.216 52.037 0.010 0.000 0.623 295 A CB -0.811 18.190 19.000 0.002 0.000 0.818 295 A HN 0.600 nan 8.150 nan 0.000 0.443 296 A N -0.208 122.591 122.820 -0.035 0.000 1.902 296 A HA 0.145 4.468 4.320 0.005 0.000 0.217 296 A C 2.491 180.138 177.584 0.105 0.000 1.181 296 A CA 2.140 54.167 52.037 -0.018 0.000 0.623 296 A CB -0.947 17.892 19.000 -0.268 0.000 0.818 296 A HN 1.042 nan 8.150 nan 0.000 0.443 297 A N -0.241 122.612 122.820 0.055 0.000 1.898 297 A HA -0.126 4.196 4.320 0.005 0.000 0.216 297 A C 1.936 179.609 177.584 0.149 0.000 1.181 297 A CA 1.540 53.643 52.037 0.109 0.000 0.620 297 A CB -0.470 18.568 19.000 0.064 0.000 0.819 297 A HN 0.630 nan 8.150 nan 0.000 0.442 298 E N -0.018 120.259 120.200 0.130 0.000 2.047 298 E HA -0.104 4.249 4.350 0.005 0.000 0.191 298 E C 1.970 178.647 176.600 0.130 0.000 0.987 298 E CA 1.137 57.639 56.400 0.170 0.000 0.799 298 E CB -0.291 29.495 29.700 0.143 0.000 0.752 298 E HN 0.603 nan 8.360 nan 0.000 0.449 299 L N 0.390 121.631 121.223 0.028 0.000 2.093 299 L HA -0.051 4.292 4.340 0.005 0.000 0.208 299 L C 2.600 179.361 176.870 -0.181 0.000 1.085 299 L CA 1.061 55.826 54.840 -0.124 0.000 0.755 299 L CB -0.720 41.101 42.059 -0.396 0.000 0.904 299 L HN 0.234 nan 8.230 nan 0.000 0.435 300 G N -0.325 108.440 108.800 -0.059 0.000 2.422 300 G HA2 -0.304 3.659 3.960 0.005 0.000 0.218 300 G HA3 -0.304 3.659 3.960 0.005 0.000 0.218 300 G C 1.584 176.532 174.900 0.079 0.000 1.146 300 G CA 0.467 45.546 45.100 -0.034 0.000 0.769 300 G HN 0.367 nan 8.290 nan 0.000 0.547 301 F N 1.742 121.676 119.950 -0.027 0.000 2.163 301 F HA 0.172 4.701 4.527 0.003 0.000 0.297 301 F C 2.793 178.593 175.800 0.000 0.000 1.094 301 F CA 0.930 58.916 58.000 -0.025 0.000 1.290 301 F CB 0.200 39.181 39.000 -0.032 0.000 1.017 301 F HN 0.228 nan 8.300 nan 0.000 0.483 302 A N 0.398 123.173 122.820 -0.075 0.000 2.019 302 A HA -0.056 4.267 4.320 0.005 0.000 0.219 302 A C 2.092 179.694 177.584 0.031 0.000 1.164 302 A CA 1.294 53.275 52.037 -0.093 0.000 0.644 302 A CB -1.190 17.858 19.000 0.079 0.000 0.805 302 A HN 0.451 nan 8.150 nan 0.000 0.449 303 A N -1.916 120.937 122.820 0.055 0.000 2.235 303 A HA 0.408 4.731 4.320 0.005 0.000 0.208 303 A C 1.645 179.262 177.584 0.056 0.000 1.172 303 A CA 1.289 53.390 52.037 0.107 0.000 0.786 303 A CB -0.706 18.264 19.000 -0.050 0.000 0.804 303 A HN 1.749 nan 8.150 nan 0.000 0.479 304 G N -2.602 106.203 108.800 0.009 0.000 2.205 304 G HA2 0.201 4.164 3.960 0.005 0.000 0.180 304 G HA3 0.201 4.164 3.960 0.005 0.000 0.180 304 G C 0.413 175.344 174.900 0.052 0.000 1.004 304 G CA 0.040 45.146 45.100 0.010 0.000 0.670 304 G HN 1.393 nan 8.290 nan 0.000 0.496 305 A N 0.181 123.065 122.820 0.107 0.000 2.406 305 A HA 0.567 4.890 4.320 0.005 0.000 0.243 305 A C 1.020 178.745 177.584 0.236 0.000 1.082 305 A CA 0.878 53.001 52.037 0.142 0.000 0.786 305 A CB 0.343 19.422 19.000 0.130 0.000 1.029 305 A HN 0.171 nan 8.150 nan 0.000 0.495 306 D N -0.674 119.796 120.400 0.116 0.000 2.423 306 D HA 0.129 4.772 4.640 0.005 0.000 0.208 306 D C 0.597 176.850 176.300 -0.078 0.000 1.068 306 D CA 0.607 54.654 54.000 0.079 0.000 0.860 306 D CB 0.477 41.291 40.800 0.022 0.000 0.992 306 D HN 0.549 nan 8.370 nan 0.000 0.504 307 R N 0.414 120.837 120.500 -0.128 0.000 2.668 307 R HA 0.551 4.894 4.340 0.005 0.000 0.272 307 R C -1.888 174.304 176.300 -0.180 0.000 1.019 307 R CA -0.473 55.510 56.100 -0.194 0.000 0.894 307 R CB 1.761 31.998 30.300 -0.105 0.000 1.228 307 R HN -0.190 nan 8.270 nan 0.000 0.460 308 I N 2.706 123.166 120.570 -0.182 0.000 2.499 308 I HA 0.286 4.459 4.170 0.005 0.000 0.288 308 I C -0.526 175.615 176.117 0.040 0.000 1.048 308 I CA -0.727 60.534 61.300 -0.065 0.000 1.062 308 I CB 2.280 40.235 38.000 -0.075 0.000 1.238 308 I HN 0.514 nan 8.210 nan 0.000 0.426 309 E N 4.382 124.588 120.200 0.010 0.000 2.249 309 E HA 0.687 5.039 4.350 0.005 0.000 0.280 309 E C 0.024 176.539 176.600 -0.142 0.000 1.016 309 E CA -0.441 55.947 56.400 -0.019 0.000 0.830 309 E CB 2.279 32.019 29.700 0.066 0.000 1.081 309 E HN 0.830 nan 8.360 nan 0.000 0.395 310 G N 0.927 109.640 108.800 -0.146 0.000 2.561 310 G HA2 0.407 4.370 3.960 0.005 0.000 0.310 310 G HA3 0.407 4.370 3.960 0.005 0.000 0.310 310 G C -1.424 173.356 174.900 -0.200 0.000 1.292 310 G CA -0.420 44.550 45.100 -0.216 0.000 0.811 310 G HN 0.592 nan 8.290 nan 0.000 0.482 311 C N -0.265 118.925 119.300 -0.182 0.000 2.634 311 C HA 0.668 5.131 4.460 0.005 0.000 0.313 311 C C 0.352 175.248 174.990 -0.157 0.000 1.198 311 C CA -0.607 58.318 59.018 -0.155 0.000 1.605 311 C CB 0.910 28.596 27.740 -0.090 0.000 2.196 311 C HN 0.677 nan 8.230 nan 0.000 0.486 312 L N 3.020 124.147 121.223 -0.161 0.000 2.513 312 L HA 0.154 4.496 4.340 0.005 0.000 0.272 312 L C 0.116 176.953 176.870 -0.054 0.000 1.187 312 L CA 0.412 55.142 54.840 -0.184 0.000 0.895 312 L CB -0.246 41.756 42.059 -0.094 0.000 1.147 312 L HN 0.783 nan 8.230 nan 0.000 0.483 313 F N 1.848 121.759 119.950 -0.064 0.000 3.057 313 F HA -0.225 4.305 4.527 0.006 0.000 0.287 313 F C 1.480 177.302 175.800 0.036 0.000 0.834 313 F CA 1.004 58.908 58.000 -0.160 0.000 1.147 313 F CB -2.135 36.675 39.000 -0.317 0.000 1.245 313 F HN 0.849 nan 8.300 nan 0.000 0.509 314 G N 0.107 108.993 108.800 0.143 0.000 2.221 314 G HA2 -0.385 3.578 3.960 0.005 0.000 0.265 314 G HA3 -0.385 3.578 3.960 0.005 0.000 0.265 314 G C 0.210 175.166 174.900 0.093 0.000 1.041 314 G CA 0.326 45.497 45.100 0.117 0.000 0.807 314 G HN 0.727 nan 8.290 nan 0.000 0.502 315 N N 0.466 119.209 118.700 0.072 0.000 2.371 315 N HA 0.592 5.335 4.740 0.005 0.000 0.243 315 N C 0.823 176.358 175.510 0.043 0.000 1.287 315 N CA 1.827 54.911 53.050 0.057 0.000 0.911 315 N CB 0.750 39.264 38.487 0.046 0.000 1.142 315 N HN 1.592 nan 8.380 nan 0.000 0.451 316 G N 0.258 109.098 108.800 0.068 0.000 2.353 316 G HA2 -0.044 3.919 3.960 0.005 0.000 0.424 316 G HA3 -0.044 3.919 3.960 0.005 0.000 0.424 316 G C -1.576 173.409 174.900 0.141 0.000 1.320 316 G CA -0.854 44.315 45.100 0.115 0.000 0.995 316 G HN 0.524 nan 8.290 nan 0.000 0.580 317 E N 1.050 121.358 120.200 0.179 0.000 2.558 317 E HA 0.131 4.484 4.350 0.005 0.000 0.255 317 E C 1.444 178.074 176.600 0.049 0.000 0.968 317 E CA 0.868 57.305 56.400 0.063 0.000 0.939 317 E CB 0.504 30.174 29.700 -0.049 0.000 0.921 317 E HN 0.711 nan 8.360 nan 0.000 0.477 318 R N 0.408 120.925 120.500 0.028 0.000 3.864 318 R HA -0.319 4.023 4.340 0.005 0.000 0.295 318 R C 1.744 178.068 176.300 0.039 0.000 0.444 318 R CA 2.559 58.672 56.100 0.021 0.000 1.092 318 R CB -1.934 28.363 30.300 -0.004 0.000 0.912 318 R HN 0.708 nan 8.270 nan 0.000 0.587 319 T N -0.183 114.399 114.554 0.048 0.000 3.113 319 T HA 0.366 4.718 4.350 0.005 0.000 0.256 319 T C 0.905 175.651 174.700 0.077 0.000 1.131 319 T CA 0.867 62.995 62.100 0.048 0.000 1.074 319 T CB 0.533 69.420 68.868 0.031 0.000 0.944 319 T HN 1.196 nan 8.240 nan 0.000 0.516 320 G N 0.873 109.755 108.800 0.137 0.000 2.619 320 G HA2 -0.077 3.885 3.960 0.005 0.000 0.686 320 G HA3 -0.077 3.885 3.960 0.005 0.000 0.686 320 G C -1.023 173.933 174.900 0.094 0.000 1.256 320 G CA -0.923 44.253 45.100 0.126 0.000 0.826 320 G HN 0.522 nan 8.290 nan 0.000 0.619 321 N N -1.445 117.198 118.700 -0.096 0.000 2.424 321 N HA 0.445 5.188 4.740 0.005 0.000 0.257 321 N C 0.734 176.105 175.510 -0.232 0.000 1.250 321 N CA 0.067 52.870 53.050 -0.411 0.000 0.946 321 N CB 1.469 39.709 38.487 -0.411 0.000 1.175 321 N HN 0.855 nan 8.380 nan 0.000 0.477 322 V N 0.801 120.555 119.914 -0.268 0.000 2.788 322 V HA -0.079 4.044 4.120 0.005 0.000 0.307 322 V C 0.064 176.098 176.094 -0.100 0.000 1.069 322 V CA -0.365 61.848 62.300 -0.146 0.000 1.173 322 V CB 0.222 31.966 31.823 -0.131 0.000 0.925 322 V HN 0.818 nan 8.190 nan 0.000 0.492 323 C N 7.437 126.713 119.300 -0.040 0.000 2.464 323 C HA 0.302 4.764 4.460 0.005 0.000 0.370 323 C C 1.544 176.481 174.990 -0.088 0.000 1.267 323 C CA -0.540 58.462 59.018 -0.027 0.000 1.781 323 C CB -1.483 26.319 27.740 0.104 0.000 2.431 323 C HN 0.993 nan 8.230 nan 0.000 0.556 324 L N 5.128 126.253 121.223 -0.164 0.000 2.201 324 L HA -0.071 4.272 4.340 0.005 0.000 0.212 324 L C 2.296 178.983 176.870 -0.304 0.000 1.105 324 L CA 0.959 55.656 54.840 -0.237 0.000 0.775 324 L CB -0.340 41.553 42.059 -0.276 0.000 0.913 324 L HN 0.718 nan 8.230 nan 0.000 0.440 325 V N -0.642 119.061 119.914 -0.351 0.000 2.270 325 V HA -0.260 3.863 4.120 0.005 0.000 0.245 325 V C 2.532 178.306 176.094 -0.533 0.000 1.043 325 V CA 2.322 64.283 62.300 -0.565 0.000 1.014 325 V CB -0.692 30.652 31.823 -0.797 0.000 0.645 325 V HN 0.442 nan 8.190 nan 0.000 0.447 326 T N 0.573 115.021 114.554 -0.176 0.000 2.708 326 T HA -0.149 4.204 4.350 0.005 0.000 0.266 326 T C 1.918 176.598 174.700 -0.034 0.000 1.037 326 T CA 1.602 63.731 62.100 0.047 0.000 1.146 326 T CB -0.340 68.609 68.868 0.134 0.000 0.865 326 T HN 0.266 nan 8.240 nan 0.000 0.435 327 L N 0.557 121.754 121.223 -0.042 0.000 2.042 327 L HA -0.051 4.292 4.340 0.005 0.000 0.210 327 L C 2.985 179.901 176.870 0.077 0.000 1.076 327 L CA 1.474 56.368 54.840 0.090 0.000 0.749 327 L CB -0.910 41.294 42.059 0.241 0.000 0.893 327 L HN 0.371 nan 8.230 nan 0.000 0.432 328 G N -0.267 108.402 108.800 -0.219 0.000 2.394 328 G HA2 -0.158 3.804 3.960 0.005 0.000 0.215 328 G HA3 -0.158 3.804 3.960 0.005 0.000 0.215 328 G C 1.591 176.342 174.900 -0.249 0.000 1.165 328 G CA 0.336 45.343 45.100 -0.155 0.000 0.784 328 G HN 0.227 nan 8.290 nan 0.000 0.535 329 L N 0.517 121.310 121.223 -0.718 0.000 2.291 329 L HA 0.040 4.383 4.340 0.005 0.000 0.214 329 L C 2.403 179.091 176.870 -0.303 0.000 1.120 329 L CA 0.229 54.631 54.840 -0.729 0.000 0.799 329 L CB -0.264 40.797 42.059 -1.662 0.000 0.925 329 L HN 0.077 nan 8.230 nan 0.000 0.446 330 N N 0.117 118.764 118.700 -0.088 0.000 2.289 330 N HA -0.120 4.623 4.740 0.005 0.000 0.184 330 N C 1.821 177.415 175.510 0.141 0.000 1.016 330 N CA 1.120 54.259 53.050 0.149 0.000 0.872 330 N CB -0.122 38.473 38.487 0.180 0.000 0.973 330 N HN 0.315 nan 8.380 nan 0.000 0.433 331 L N -1.009 120.305 121.223 0.151 0.000 2.049 331 L HA -0.032 4.311 4.340 0.005 0.000 0.203 331 L C 2.068 179.038 176.870 0.167 0.000 1.074 331 L CA 0.630 55.579 54.840 0.183 0.000 0.749 331 L CB -0.594 41.617 42.059 0.254 0.000 0.907 331 L HN 0.011 nan 8.230 nan 0.000 0.439 332 F N 1.811 121.778 119.950 0.027 0.000 2.087 332 F HA -0.340 4.191 4.527 0.006 0.000 0.299 332 F C 2.704 178.519 175.800 0.025 0.000 1.100 332 F CA 1.915 59.923 58.000 0.014 0.000 1.226 332 F CB -0.489 38.483 39.000 -0.046 0.000 0.983 332 F HN 0.148 nan 8.300 nan 0.000 0.479 333 S N -0.587 115.051 115.700 -0.103 0.000 2.561 333 S HA 0.033 4.506 4.470 0.005 0.000 0.225 333 S C 1.486 176.030 174.600 -0.093 0.000 0.977 333 S CA 0.173 58.269 58.200 -0.173 0.000 0.926 333 S CB -0.356 62.915 63.200 0.118 0.000 0.769 333 S HN 0.405 nan 8.310 nan 0.000 0.533 334 R N 0.643 121.119 120.500 -0.041 0.000 2.652 334 R HA 0.312 4.655 4.340 0.005 0.000 0.372 334 R C 1.082 177.369 176.300 -0.021 0.000 1.104 334 R CA 0.394 56.489 56.100 -0.008 0.000 1.072 334 R CB 0.053 30.379 30.300 0.043 0.000 1.367 334 R HN 0.553 nan 8.270 nan 0.000 0.577 335 G N 0.882 109.633 108.800 -0.082 0.000 2.160 335 G HA2 -0.252 3.711 3.960 0.005 0.000 0.251 335 G HA3 -0.252 3.711 3.960 0.005 0.000 0.251 335 G C -0.005 174.904 174.900 0.015 0.000 1.008 335 G CA 0.279 45.346 45.100 -0.055 0.000 0.724 335 G HN 0.155 nan 8.290 nan 0.000 0.514 336 V N 0.681 120.630 119.914 0.059 0.000 2.417 336 V HA 0.467 4.589 4.120 0.005 0.000 0.291 336 V C 0.150 176.344 176.094 0.166 0.000 1.024 336 V CA -0.837 61.526 62.300 0.107 0.000 0.861 336 V CB 1.849 33.745 31.823 0.122 0.000 0.985 336 V HN 0.357 nan 8.190 nan 0.000 0.436 337 D N 7.577 128.070 120.400 0.156 0.000 2.382 337 D HA 0.149 4.792 4.640 0.005 0.000 0.259 337 D C -1.204 175.224 176.300 0.213 0.000 1.224 337 D CA -1.635 52.476 54.000 0.185 0.000 0.894 337 D CB 1.667 42.543 40.800 0.126 0.000 1.127 337 D HN 0.277 nan 8.370 nan 0.000 0.487 338 P HA -0.077 nan 4.420 nan 0.000 0.236 338 P C -0.241 177.274 177.300 0.358 0.000 1.177 338 P CA 0.507 63.844 63.100 0.395 0.000 0.773 338 P CB 0.152 32.112 31.700 0.434 0.000 0.878 339 Q N -1.487 118.406 119.800 0.155 0.000 2.503 339 Q HA -0.130 4.213 4.340 0.005 0.000 0.267 339 Q C -0.251 175.681 176.000 -0.113 0.000 1.030 339 Q CA 0.472 56.301 55.803 0.045 0.000 1.041 339 Q CB -1.527 27.263 28.738 0.086 0.000 1.406 339 Q HN 0.340 nan 8.270 nan 0.000 0.524 340 I N 0.283 120.701 120.570 -0.253 0.000 2.686 340 I HA 0.277 4.450 4.170 0.005 0.000 0.295 340 I C -0.216 175.456 176.117 -0.741 0.000 1.114 340 I CA -0.806 60.094 61.300 -0.667 0.000 1.038 340 I CB 1.999 39.358 38.000 -1.068 0.000 1.238 340 I HN -0.070 nan 8.210 nan 0.000 0.420 341 D N 4.176 124.131 120.400 -0.743 0.000 2.313 341 D HA 0.379 5.022 4.640 0.005 0.000 0.239 341 D C -0.337 175.532 176.300 -0.718 0.000 1.142 341 D CA 0.147 53.802 54.000 -0.576 0.000 0.847 341 D CB 0.446 41.037 40.800 -0.348 0.000 1.082 341 D HN 0.233 nan 8.370 nan 0.000 0.480 342 F N 1.778 121.561 119.950 -0.279 0.000 2.735 342 F HA 0.202 4.730 4.527 0.002 0.000 0.304 342 F C 1.985 177.644 175.800 -0.236 0.000 1.119 342 F CA -0.351 57.495 58.000 -0.258 0.000 1.280 342 F CB 0.330 39.130 39.000 -0.332 0.000 0.994 342 F HN 0.285 nan 8.300 nan 0.000 0.520 343 S N 0.037 115.675 115.700 -0.104 0.000 2.474 343 S HA -0.114 4.359 4.470 0.005 0.000 0.235 343 S C 0.973 175.542 174.600 -0.053 0.000 0.997 343 S CA 0.912 59.048 58.200 -0.106 0.000 0.949 343 S CB -0.273 62.859 63.200 -0.113 0.000 0.766 343 S HN 0.290 nan 8.310 nan 0.000 0.517 344 N N 0.560 119.247 118.700 -0.022 0.000 2.762 344 N HA 0.282 5.025 4.740 0.005 0.000 0.252 344 N C 0.174 175.721 175.510 0.062 0.000 1.269 344 N CA -0.175 52.882 53.050 0.012 0.000 0.799 344 N CB 0.160 38.647 38.487 0.000 0.000 1.173 344 N HN 0.177 nan 8.380 nan 0.000 0.516 345 I N 0.708 121.339 120.570 0.101 0.000 2.546 345 I HA -0.144 4.029 4.170 0.005 0.000 0.255 345 I C 0.855 177.085 176.117 0.189 0.000 1.163 345 I CA 0.975 62.390 61.300 0.192 0.000 1.457 345 I CB 0.403 38.546 38.000 0.239 0.000 1.092 345 I HN 0.274 nan 8.210 nan 0.000 0.434 346 D N 0.614 121.087 120.400 0.121 0.000 2.144 346 D HA -0.242 4.401 4.640 0.005 0.000 0.200 346 D C 1.943 178.285 176.300 0.069 0.000 0.978 346 D CA 1.105 55.156 54.000 0.084 0.000 0.833 346 D CB -0.081 40.755 40.800 0.062 0.000 0.961 346 D HN 0.492 nan 8.370 nan 0.000 0.470 347 E N 0.302 120.543 120.200 0.067 0.000 2.106 347 E HA -0.134 4.218 4.350 0.005 0.000 0.192 347 E C 2.251 178.899 176.600 0.081 0.000 0.984 347 E CA 0.528 56.961 56.400 0.054 0.000 0.806 347 E CB -0.014 29.706 29.700 0.033 0.000 0.750 347 E HN 0.240 nan 8.360 nan 0.000 0.458 348 I N 0.710 121.355 120.570 0.125 0.000 2.179 348 I HA -0.279 3.894 4.170 0.005 0.000 0.242 348 I C 2.902 179.165 176.117 0.243 0.000 1.088 348 I CA 1.297 62.710 61.300 0.189 0.000 1.357 348 I CB -0.358 37.789 38.000 0.246 0.000 1.051 348 I HN 0.103 nan 8.210 nan 0.000 0.409 349 R N 1.262 121.888 120.500 0.209 0.000 2.083 349 R HA -0.172 4.171 4.340 0.005 0.000 0.237 349 R C 2.486 178.766 176.300 -0.034 0.000 1.137 349 R CA 1.570 57.646 56.100 -0.041 0.000 0.951 349 R CB -0.167 30.008 30.300 -0.208 0.000 0.851 349 R HN 0.240 nan 8.270 nan 0.000 0.434 350 R N -0.568 119.940 120.500 0.012 0.000 2.096 350 R HA -0.071 4.272 4.340 0.005 0.000 0.235 350 R C 2.254 178.600 176.300 0.077 0.000 1.127 350 R CA 2.023 58.138 56.100 0.024 0.000 0.968 350 R CB -0.290 30.022 30.300 0.020 0.000 0.861 350 R HN 0.323 nan 8.270 nan 0.000 0.440 351 T N 0.557 115.168 114.554 0.096 0.000 2.737 351 T HA -0.085 4.268 4.350 0.005 0.000 0.265 351 T C 1.992 176.796 174.700 0.172 0.000 1.038 351 T CA 1.184 63.375 62.100 0.152 0.000 1.144 351 T CB -0.170 68.771 68.868 0.122 0.000 0.866 351 T HN -0.016 nan 8.240 nan 0.000 0.434 352 V N 1.667 121.660 119.914 0.131 0.000 2.332 352 V HA -0.199 3.923 4.120 0.005 0.000 0.248 352 V C 2.510 178.635 176.094 0.052 0.000 1.055 352 V CA 1.748 64.114 62.300 0.110 0.000 1.038 352 V CB -0.580 31.360 31.823 0.195 0.000 0.651 352 V HN 0.558 nan 8.190 nan 0.000 0.450 353 E N -1.040 119.177 120.200 0.027 0.000 2.072 353 E HA -0.244 4.109 4.350 0.005 0.000 0.191 353 E C 2.109 178.739 176.600 0.051 0.000 0.985 353 E CA 1.567 57.971 56.400 0.006 0.000 0.801 353 E CB -0.277 29.409 29.700 -0.023 0.000 0.750 353 E HN 0.767 nan 8.360 nan 0.000 0.452 354 Y N 1.146 121.439 120.300 -0.013 0.000 2.097 354 Y HA -0.313 4.239 4.550 0.004 0.000 0.282 354 Y C 2.215 178.114 175.900 -0.002 0.000 1.152 354 Y CA 1.417 59.514 58.100 -0.005 0.000 1.136 354 Y CB -0.659 37.802 38.460 0.002 0.000 0.975 354 Y HN 0.039 nan 8.280 nan 0.000 0.498 355 C N 0.900 120.058 119.300 -0.236 0.000 2.453 355 C HA -0.143 4.320 4.460 0.005 0.000 0.277 355 C C 2.357 177.215 174.990 -0.221 0.000 1.262 355 C CA 1.478 60.302 59.018 -0.323 0.000 1.718 355 C CB -1.227 26.455 27.740 -0.097 0.000 2.031 355 C HN 0.634 nan 8.230 nan 0.000 0.480 356 N N -0.088 118.544 118.700 -0.113 0.000 2.415 356 N HA -0.013 4.729 4.740 0.005 0.000 0.176 356 N C 0.550 176.018 175.510 -0.070 0.000 1.042 356 N CA 0.322 53.328 53.050 -0.072 0.000 0.902 356 N CB -0.381 38.091 38.487 -0.025 0.000 0.986 356 N HN 0.569 nan 8.380 nan 0.000 0.447 357 Q N -0.484 119.272 119.800 -0.074 0.000 2.475 357 Q HA -0.194 4.149 4.340 0.005 0.000 0.280 357 Q C -1.216 174.768 176.000 -0.026 0.000 1.234 357 Q CA 0.484 56.258 55.803 -0.048 0.000 0.873 357 Q CB -1.302 27.401 28.738 -0.059 0.000 1.256 357 Q HN 0.133 nan 8.270 nan 0.000 0.475 358 L N 0.443 121.653 121.223 -0.022 0.000 2.431 358 L HA 0.569 4.912 4.340 0.005 0.000 0.266 358 L C -2.013 174.842 176.870 -0.024 0.000 0.978 358 L CA -2.059 52.774 54.840 -0.012 0.000 0.822 358 L CB 1.427 43.486 42.059 0.001 0.000 1.310 358 L HN -0.124 nan 8.230 nan 0.000 0.409 359 P HA 0.198 nan 4.420 nan 0.000 0.274 359 P C -0.605 176.652 177.300 -0.072 0.000 1.231 359 P CA -0.317 62.752 63.100 -0.052 0.000 0.790 359 P CB 1.168 32.849 31.700 -0.032 0.000 0.951 360 V N 3.765 123.573 119.914 -0.176 0.000 2.488 360 V HA 0.032 4.155 4.120 0.005 0.000 0.277 360 V C 1.231 177.284 176.094 -0.068 0.000 1.046 360 V CA -0.331 61.821 62.300 -0.246 0.000 0.986 360 V CB -0.430 30.997 31.823 -0.661 0.000 0.989 360 V HN 0.638 nan 8.190 nan 0.000 0.475 361 H N 3.490 122.559 119.070 -0.001 0.000 2.948 361 H HA -0.015 4.544 4.556 0.004 0.000 0.351 361 H C 1.010 176.357 175.328 0.032 0.000 1.079 361 H CA 0.189 56.260 56.048 0.037 0.000 1.407 361 H CB 0.987 30.798 29.762 0.081 0.000 1.373 361 H HN 0.761 nan 8.280 nan 0.000 0.605 362 E N 2.957 122.803 120.200 -0.590 0.000 2.171 362 E HA -0.167 4.186 4.350 0.005 0.000 0.197 362 E C 1.390 177.940 176.600 -0.084 0.000 0.997 362 E CA 1.309 57.523 56.400 -0.309 0.000 0.810 362 E CB 0.121 29.611 29.700 -0.350 0.000 0.738 362 E HN 0.533 nan 8.360 nan 0.000 0.467 363 R N -0.375 120.188 120.500 0.106 0.000 2.468 363 R HA 0.141 4.484 4.340 0.005 0.000 0.280 363 R C -0.181 176.217 176.300 0.164 0.000 0.963 363 R CA -0.204 55.997 56.100 0.169 0.000 1.083 363 R CB 0.034 30.457 30.300 0.205 0.000 1.200 363 R HN 0.251 nan 8.270 nan 0.000 0.541 364 H N 2.318 121.467 119.070 0.130 0.000 2.964 364 H HA 0.076 4.634 4.556 0.004 0.000 0.328 364 H C -2.175 173.191 175.328 0.063 0.000 1.030 364 H CA -1.208 54.913 56.048 0.122 0.000 1.445 364 H CB 0.742 30.611 29.762 0.178 0.000 1.449 364 H HN -0.164 nan 8.280 nan 0.000 0.581 365 P HA -0.145 nan 4.420 nan 0.000 0.261 365 P C -0.486 176.906 177.300 0.153 0.000 1.173 365 P CA 0.869 63.916 63.100 -0.088 0.000 0.760 365 P CB 0.109 31.726 31.700 -0.140 0.000 0.783 366 Y N 1.092 121.438 120.300 0.077 0.000 3.049 366 Y HA -0.320 4.233 4.550 0.005 0.000 0.478 366 Y C 1.966 178.009 175.900 0.238 0.000 1.177 366 Y CA 2.178 60.364 58.100 0.142 0.000 2.663 366 Y CB -2.381 36.147 38.460 0.114 0.000 0.854 366 Y HN 0.523 nan 8.280 nan 0.000 0.525 367 G N -0.421 108.644 108.800 0.441 0.000 2.784 367 G HA2 0.397 4.360 3.960 0.005 0.000 0.208 367 G HA3 0.397 4.360 3.960 0.005 0.000 0.208 367 G C 1.018 175.995 174.900 0.129 0.000 1.120 367 G CA 0.332 45.655 45.100 0.371 0.000 0.774 367 G HN 0.714 nan 8.290 nan 0.000 0.528 368 G N 0.370 109.239 108.800 0.115 0.000 2.544 368 G HA2 0.277 4.240 3.960 0.005 0.000 0.242 368 G HA3 0.277 4.240 3.960 0.005 0.000 0.242 368 G C 0.438 175.341 174.900 0.004 0.000 1.247 368 G CA -0.132 44.990 45.100 0.036 0.000 0.840 368 G HN -0.006 nan 8.290 nan 0.000 0.578 369 D N 0.599 120.987 120.400 -0.020 0.000 2.158 369 D HA -0.128 4.515 4.640 0.005 0.000 0.197 369 D C 2.305 178.619 176.300 0.023 0.000 0.995 369 D CA 1.053 55.054 54.000 0.002 0.000 0.846 369 D CB 0.134 40.918 40.800 -0.027 0.000 0.941 369 D HN 0.314 nan 8.370 nan 0.000 0.456 370 L N 0.463 121.690 121.223 0.007 0.000 2.607 370 L HA 0.061 4.404 4.340 0.005 0.000 0.228 370 L C 2.055 178.929 176.870 0.006 0.000 1.123 370 L CA -0.008 54.859 54.840 0.045 0.000 0.890 370 L CB 0.330 42.438 42.059 0.081 0.000 1.103 370 L HN -0.052 nan 8.230 nan 0.000 0.468 371 V N -3.963 115.875 119.914 -0.128 0.000 3.217 371 V HA -0.137 3.986 4.120 0.005 0.000 0.264 371 V C 1.095 176.928 176.094 -0.435 0.000 1.135 371 V CA 1.040 63.152 62.300 -0.314 0.000 1.142 371 V CB -0.870 30.681 31.823 -0.453 0.000 0.754 371 V HN 0.336 nan 8.190 nan 0.000 0.484 372 Y N 0.404 120.783 120.300 0.131 0.000 2.720 372 Y HA 0.527 5.079 4.550 0.004 0.000 0.268 372 Y C 0.869 176.891 175.900 0.203 0.000 1.142 372 Y CA -0.664 57.548 58.100 0.188 0.000 1.193 372 Y CB -0.122 38.444 38.460 0.175 0.000 1.176 372 Y HN 0.107 nan 8.280 nan 0.000 0.542 373 T N 1.270 115.941 114.554 0.195 0.000 2.902 373 T HA 0.800 5.152 4.350 0.005 0.000 0.283 373 T C -0.294 174.481 174.700 0.124 0.000 1.009 373 T CA -0.609 61.523 62.100 0.054 0.000 1.051 373 T CB 1.495 70.315 68.868 -0.081 0.000 0.999 373 T HN 0.231 nan 8.240 nan 0.000 0.474 374 A N 1.759 124.598 122.820 0.032 0.000 2.359 374 A HA 0.750 5.073 4.320 0.005 0.000 0.303 374 A C -0.377 177.137 177.584 -0.117 0.000 1.066 374 A CA -0.638 51.474 52.037 0.125 0.000 0.730 374 A CB 0.625 19.827 19.000 0.336 0.000 1.211 374 A HN 0.812 nan 8.150 nan 0.000 0.439 375 F N 1.401 121.353 119.950 0.004 0.000 2.500 375 F HA 0.143 4.673 4.527 0.004 0.000 0.285 375 F C 1.847 177.598 175.800 -0.081 0.000 1.088 375 F CA 1.024 58.999 58.000 -0.042 0.000 1.432 375 F CB 0.247 39.212 39.000 -0.059 0.000 1.131 375 F HN 0.542 nan 8.300 nan 0.000 0.582 376 S N 0.756 116.471 115.700 0.025 0.000 2.537 376 S HA 0.184 4.656 4.470 0.005 0.000 0.286 376 S C 1.547 176.117 174.600 -0.049 0.000 1.299 376 S CA 0.095 58.218 58.200 -0.127 0.000 1.067 376 S CB 1.084 63.988 63.200 -0.494 0.000 0.864 376 S HN 0.408 nan 8.310 nan 0.000 0.494 377 G N 3.454 112.241 108.800 -0.021 0.000 2.469 377 G HA2 -0.266 3.697 3.960 0.005 0.000 0.219 377 G HA3 -0.266 3.697 3.960 0.005 0.000 0.219 377 G C 1.795 176.713 174.900 0.029 0.000 1.150 377 G CA 1.178 46.284 45.100 0.011 0.000 0.763 377 G HN 1.122 nan 8.290 nan 0.000 0.561 378 S N -0.225 115.485 115.700 0.018 0.000 2.382 378 S HA -0.134 4.339 4.470 0.005 0.000 0.228 378 S C 1.966 176.646 174.600 0.134 0.000 1.027 378 S CA 1.547 59.792 58.200 0.075 0.000 0.991 378 S CB -0.830 62.423 63.200 0.088 0.000 0.823 378 S HN 0.676 nan 8.310 nan 0.000 0.469 379 H N 1.276 120.243 119.070 -0.172 0.000 2.326 379 H HA -0.030 4.530 4.556 0.006 0.000 0.301 379 H C 2.631 177.928 175.328 -0.052 0.000 1.081 379 H CA 1.527 57.370 56.048 -0.341 0.000 1.334 379 H CB -0.114 29.312 29.762 -0.560 0.000 1.385 379 H HN 0.540 nan 8.280 nan 0.000 0.504 380 Q N 0.441 120.330 119.800 0.147 0.000 2.096 380 Q HA -0.189 4.153 4.340 0.005 0.000 0.204 380 Q C 1.931 178.006 176.000 0.126 0.000 0.982 380 Q CA 1.799 57.707 55.803 0.175 0.000 0.850 380 Q CB -0.053 28.774 28.738 0.149 0.000 0.901 380 Q HN 0.452 nan 8.270 nan 0.000 0.422 381 D N 0.163 120.621 120.400 0.097 0.000 2.097 381 D HA -0.168 4.474 4.640 0.005 0.000 0.195 381 D C 1.797 178.139 176.300 0.070 0.000 0.989 381 D CA 1.540 55.584 54.000 0.074 0.000 0.827 381 D CB -0.056 40.782 40.800 0.063 0.000 0.966 381 D HN 0.247 nan 8.370 nan 0.000 0.456 382 A N -0.058 122.826 122.820 0.107 0.000 1.930 382 A HA -0.082 4.241 4.320 0.005 0.000 0.217 382 A C 2.390 180.000 177.584 0.043 0.000 1.175 382 A CA 1.073 53.173 52.037 0.105 0.000 0.627 382 A CB -0.770 18.379 19.000 0.248 0.000 0.815 382 A HN 0.400 nan 8.150 nan 0.000 0.443 383 I N 0.127 120.725 120.570 0.048 0.000 2.179 383 I HA -0.275 3.897 4.170 0.005 0.000 0.242 383 I C 2.157 178.215 176.117 -0.098 0.000 1.088 383 I CA 1.210 62.458 61.300 -0.086 0.000 1.357 383 I CB -0.430 37.427 38.000 -0.238 0.000 1.051 383 I HN 0.296 nan 8.210 nan 0.000 0.409 384 N N 1.118 119.808 118.700 -0.017 0.000 2.104 384 N HA -0.199 4.544 4.740 0.005 0.000 0.190 384 N C 1.770 177.268 175.510 -0.021 0.000 1.024 384 N CA 1.405 54.458 53.050 0.006 0.000 0.853 384 N CB -0.276 38.238 38.487 0.046 0.000 1.008 384 N HN 0.374 nan 8.380 nan 0.000 0.424 385 K N 0.034 120.421 120.400 -0.023 0.000 2.057 385 K HA -0.025 4.298 4.320 0.005 0.000 0.207 385 K C 2.124 178.678 176.600 -0.077 0.000 1.049 385 K CA 1.194 57.459 56.287 -0.037 0.000 0.931 385 K CB -0.351 32.135 32.500 -0.023 0.000 0.714 385 K HN 0.204 nan 8.250 nan 0.000 0.440 386 G N 1.299 110.028 108.800 -0.118 0.000 2.421 386 G HA2 -0.224 3.739 3.960 0.005 0.000 0.216 386 G HA3 -0.224 3.739 3.960 0.005 0.000 0.216 386 G C 1.347 176.118 174.900 -0.215 0.000 1.171 386 G CA 0.467 45.449 45.100 -0.197 0.000 0.775 386 G HN 0.025 nan 8.290 nan 0.000 0.543 387 L N 1.247 122.359 121.223 -0.184 0.000 2.017 387 L HA -0.023 4.320 4.340 0.005 0.000 0.208 387 L C 2.420 179.247 176.870 -0.072 0.000 1.073 387 L CA 1.564 56.323 54.840 -0.134 0.000 0.745 387 L CB -0.930 41.091 42.059 -0.062 0.000 0.894 387 L HN 0.141 nan 8.230 nan 0.000 0.432 388 D N -0.547 119.823 120.400 -0.050 0.000 2.123 388 D HA -0.147 4.496 4.640 0.005 0.000 0.196 388 D C 2.201 178.477 176.300 -0.040 0.000 0.992 388 D CA 1.501 55.483 54.000 -0.029 0.000 0.833 388 D CB -0.064 40.725 40.800 -0.019 0.000 0.954 388 D HN 0.318 nan 8.370 nan 0.000 0.455 389 A N 0.396 123.179 122.820 -0.062 0.000 1.930 389 A HA -0.139 4.184 4.320 0.005 0.000 0.217 389 A C 2.266 179.811 177.584 -0.064 0.000 1.175 389 A CA 1.184 53.184 52.037 -0.062 0.000 0.627 389 A CB -0.509 18.445 19.000 -0.077 0.000 0.815 389 A HN 0.146 nan 8.150 nan 0.000 0.443 390 M N -0.270 119.277 119.600 -0.088 0.000 2.117 390 M HA -0.190 4.293 4.480 0.005 0.000 0.262 390 M C 2.709 178.994 176.300 -0.026 0.000 1.065 390 M CA 2.216 57.474 55.300 -0.070 0.000 1.114 390 M CB -0.395 32.145 32.600 -0.101 0.000 1.361 390 M HN 0.517 nan 8.290 nan 0.000 0.408 391 K N 0.434 120.824 120.400 -0.017 0.000 2.063 391 K HA -0.053 4.270 4.320 0.005 0.000 0.208 391 K C 2.040 178.640 176.600 -0.001 0.000 1.048 391 K CA 1.923 58.212 56.287 0.003 0.000 0.928 391 K CB -2.159 30.347 32.500 0.010 0.000 0.713 391 K HN 0.429 nan 8.250 nan 0.000 0.442 392 L N 1.375 122.592 121.223 -0.010 0.000 2.046 392 L HA -0.177 4.166 4.340 0.005 0.000 0.208 392 L C 2.353 179.218 176.870 -0.009 0.000 1.077 392 L CA 2.988 57.822 54.840 -0.009 0.000 0.747 392 L CB -1.422 40.628 42.059 -0.014 0.000 0.896 392 L HN 0.569 nan 8.230 nan 0.000 0.432 393 D N -0.414 119.978 120.400 -0.014 0.000 2.144 393 D HA -0.029 4.614 4.640 0.005 0.000 0.199 393 D C 2.458 178.757 176.300 -0.002 0.000 0.984 393 D CA 1.584 55.578 54.000 -0.011 0.000 0.834 393 D CB -0.184 40.605 40.800 -0.018 0.000 0.955 393 D HN 0.640 nan 8.370 nan 0.000 0.465 394 A N 1.063 123.885 122.820 0.004 0.000 1.873 394 A HA -0.172 4.151 4.320 0.005 0.000 0.215 394 A C 1.830 179.420 177.584 0.011 0.000 1.186 394 A CA 1.548 53.592 52.037 0.012 0.000 0.616 394 A CB -0.394 18.619 19.000 0.022 0.000 0.823 394 A HN 0.006 nan 8.150 nan 0.000 0.442 395 D N 0.242 120.647 120.400 0.008 0.000 2.123 395 D HA -0.101 4.542 4.640 0.005 0.000 0.196 395 D C 2.143 178.446 176.300 0.004 0.000 0.992 395 D CA 1.674 55.678 54.000 0.007 0.000 0.833 395 D CB -0.404 40.399 40.800 0.005 0.000 0.954 395 D HN 0.431 nan 8.370 nan 0.000 0.455 396 A N 0.421 123.242 122.820 0.002 0.000 2.014 396 A HA 0.132 4.454 4.320 0.005 0.000 0.218 396 A C 2.035 179.620 177.584 0.001 0.000 1.163 396 A CA 1.515 53.552 52.037 0.000 0.000 0.652 396 A CB -0.181 18.818 19.000 -0.003 0.000 0.808 396 A HN 0.206 nan 8.150 nan 0.000 0.449 397 A N -1.323 121.499 122.820 0.003 0.000 2.379 397 A HA 0.430 4.753 4.320 0.005 0.000 0.236 397 A C 0.824 178.412 177.584 0.007 0.000 1.272 397 A CA 1.246 53.285 52.037 0.005 0.000 0.886 397 A CB -1.444 17.559 19.000 0.006 0.000 0.962 397 A HN 1.537 nan 8.150 nan 0.000 0.504 398 D N -1.137 119.267 120.400 0.007 0.000 2.890 398 D HA -0.061 4.582 4.640 0.005 0.000 0.226 398 D C -0.106 176.201 176.300 0.011 0.000 1.207 398 D CA 1.027 55.032 54.000 0.008 0.000 0.764 398 D CB -2.249 38.555 40.800 0.006 0.000 0.948 398 D HN 0.622 nan 8.370 nan 0.000 0.404 399 C N 1.161 120.469 119.300 0.015 0.000 3.086 399 C HA 0.674 5.137 4.460 0.005 0.000 0.311 399 C C -0.442 174.563 174.990 0.025 0.000 1.260 399 C CA -1.030 57.999 59.018 0.020 0.000 1.426 399 C CB 2.298 30.050 27.740 0.020 0.000 1.826 399 C HN 0.768 nan 8.230 nan 0.000 0.474 400 D N 1.364 121.782 120.400 0.030 0.000 2.343 400 D HA 0.078 4.720 4.640 0.005 0.000 0.255 400 D C 0.934 177.264 176.300 0.050 0.000 1.187 400 D CA 0.348 54.371 54.000 0.038 0.000 0.875 400 D CB 1.650 42.473 40.800 0.037 0.000 1.136 400 D HN 0.378 nan 8.370 nan 0.000 0.469 401 V N 4.335 124.283 119.914 0.056 0.000 2.469 401 V HA -0.227 3.896 4.120 0.005 0.000 0.251 401 V C 1.124 177.282 176.094 0.107 0.000 1.064 401 V CA 1.845 64.189 62.300 0.073 0.000 1.066 401 V CB -0.129 31.737 31.823 0.071 0.000 0.667 401 V HN 0.528 nan 8.190 nan 0.000 0.461 402 D N -0.021 120.438 120.400 0.099 0.000 2.371 402 D HA -0.069 4.574 4.640 0.005 0.000 0.221 402 D C 1.280 177.637 176.300 0.096 0.000 0.986 402 D CA 0.943 55.007 54.000 0.108 0.000 0.899 402 D CB -0.118 40.730 40.800 0.079 0.000 0.902 402 D HN 0.569 nan 8.370 nan 0.000 0.530 403 D N -0.602 119.846 120.400 0.081 0.000 2.369 403 D HA 0.107 4.750 4.640 0.005 0.000 0.211 403 D C 0.797 177.141 176.300 0.074 0.000 1.077 403 D CA 0.053 54.095 54.000 0.070 0.000 0.842 403 D CB 0.674 41.505 40.800 0.051 0.000 0.947 403 D HN 0.216 nan 8.370 nan 0.000 0.509 404 M N 0.378 120.031 119.600 0.088 0.000 2.573 404 M HA 0.239 4.722 4.480 0.005 0.000 0.309 404 M C -0.219 176.144 176.300 0.106 0.000 1.202 404 M CA -1.175 54.171 55.300 0.077 0.000 0.975 404 M CB 2.012 34.646 32.600 0.057 0.000 1.600 404 M HN -0.196 nan 8.290 nan 0.000 0.479 405 L N 2.700 123.968 121.223 0.074 0.000 2.706 405 L HA -0.120 4.222 4.340 0.005 0.000 0.282 405 L C -0.762 176.185 176.870 0.129 0.000 1.219 405 L CA 0.926 55.814 54.840 0.081 0.000 0.935 405 L CB -0.015 42.063 42.059 0.031 0.000 1.204 405 L HN 0.594 nan 8.230 nan 0.000 0.491 406 W N 7.386 128.669 121.300 -0.028 0.000 2.368 406 W HA 0.147 4.806 4.660 -0.000 0.000 0.316 406 W C -0.789 175.711 176.519 -0.032 0.000 1.375 406 W CA -0.515 56.816 57.345 -0.023 0.000 1.261 406 W CB 0.690 30.139 29.460 -0.018 0.000 1.298 406 W HN 0.562 nan 8.180 nan 0.000 0.539 407 Q N 6.002 125.470 119.800 -0.553 0.000 3.300 407 Q HA 0.233 4.575 4.340 0.005 0.000 0.271 407 Q C -1.280 174.332 176.000 -0.645 0.000 0.926 407 Q CA -0.288 55.240 55.803 -0.458 0.000 0.788 407 Q CB 1.390 29.976 28.738 -0.253 0.000 1.385 407 Q HN 0.277 nan 8.270 nan 0.000 0.424 408 V N 2.230 121.645 119.914 -0.831 0.000 2.524 408 V HA 0.379 4.502 4.120 0.005 0.000 0.297 408 V C -2.319 173.571 176.094 -0.340 0.000 1.035 408 V CA -1.903 60.001 62.300 -0.660 0.000 0.867 408 V CB 2.235 33.480 31.823 -0.963 0.000 1.004 408 V HN 0.331 nan 8.190 nan 0.000 0.426 409 P HA 0.184 nan 4.420 nan 0.000 0.266 409 P C -0.251 176.915 177.300 -0.222 0.000 1.195 409 P CA 0.645 63.523 63.100 -0.371 0.000 0.768 409 P CB 0.023 31.485 31.700 -0.396 0.000 0.838 410 Y N -1.170 119.080 120.300 -0.082 0.000 4.894 410 Y HA -0.224 4.330 4.550 0.006 0.000 0.270 410 Y C 0.233 176.173 175.900 0.066 0.000 0.930 410 Y CA 0.067 58.131 58.100 -0.060 0.000 1.814 410 Y CB -1.829 36.540 38.460 -0.152 0.000 1.235 410 Y HN 0.247 nan 8.280 nan 0.000 0.480 411 L N 2.565 123.930 121.223 0.236 0.000 2.388 411 L HA 0.302 4.644 4.340 0.005 0.000 0.267 411 L C -1.570 175.583 176.870 0.472 0.000 0.995 411 L CA -1.769 53.302 54.840 0.386 0.000 0.864 411 L CB 1.533 43.898 42.059 0.510 0.000 1.216 411 L HN -0.297 nan 8.230 nan 0.000 0.430 412 P HA -0.096 nan 4.420 nan 0.000 0.218 412 P C 0.224 177.697 177.300 0.288 0.000 1.149 412 P CA 1.315 64.580 63.100 0.275 0.000 0.817 412 P CB 0.260 32.069 31.700 0.182 0.000 0.785 413 I N -4.888 115.793 120.570 0.186 0.000 2.934 413 I HA 0.536 4.709 4.170 0.005 0.000 0.306 413 I C -0.670 174.936 176.117 -0.851 0.000 1.110 413 I CA -1.597 59.554 61.300 -0.248 0.000 1.019 413 I CB 1.920 39.967 38.000 0.078 0.000 1.227 413 I HN -0.421 nan 8.210 nan 0.000 0.434 414 D N 4.569 123.936 120.400 -1.721 0.000 2.382 414 D HA 0.185 4.827 4.640 0.005 0.000 0.259 414 D C -1.764 174.132 176.300 -0.672 0.000 1.224 414 D CA -1.842 51.146 54.000 -1.686 0.000 0.894 414 D CB 1.476 41.489 40.800 -1.311 0.000 1.127 414 D HN 0.324 nan 8.370 nan 0.000 0.487 415 P HA -0.147 nan 4.420 nan 0.000 0.219 415 P C 1.326 178.397 177.300 -0.382 0.000 1.146 415 P CA 1.638 64.346 63.100 -0.653 0.000 0.808 415 P CB 0.129 31.471 31.700 -0.597 0.000 0.779 416 R N 0.316 120.667 120.500 -0.248 0.000 2.193 416 R HA -0.146 4.196 4.340 0.005 0.000 0.229 416 R C 1.649 177.876 176.300 -0.122 0.000 1.110 416 R CA 1.845 57.864 56.100 -0.135 0.000 0.988 416 R CB -2.146 28.116 30.300 -0.063 0.000 0.871 416 R HN 0.229 nan 8.270 nan 0.000 0.458 417 D N -0.070 120.241 120.400 -0.148 0.000 2.348 417 D HA -0.047 4.596 4.640 0.005 0.000 0.216 417 D C 1.363 177.574 176.300 -0.148 0.000 0.970 417 D CA 1.661 55.608 54.000 -0.088 0.000 0.889 417 D CB 0.606 41.444 40.800 0.062 0.000 0.912 417 D HN 0.465 nan 8.370 nan 0.000 0.524 418 V N -4.412 115.419 119.914 -0.138 0.000 3.159 418 V HA 0.561 4.684 4.120 0.005 0.000 0.333 418 V C 1.217 177.279 176.094 -0.054 0.000 1.424 418 V CA 0.129 62.373 62.300 -0.093 0.000 1.125 418 V CB 0.234 32.041 31.823 -0.027 0.000 1.075 418 V HN 0.089 nan 8.190 nan 0.000 0.482 419 G N 1.005 109.762 108.800 -0.071 0.000 2.143 419 G HA2 -0.224 3.739 3.960 0.005 0.000 0.248 419 G HA3 -0.224 3.739 3.960 0.005 0.000 0.248 419 G C 0.371 175.252 174.900 -0.031 0.000 0.991 419 G CA 0.553 45.632 45.100 -0.036 0.000 0.689 419 G HN 0.597 nan 8.290 nan 0.000 0.522 420 R N -0.590 119.853 120.500 -0.094 0.000 2.810 420 R HA 0.785 5.128 4.340 0.005 0.000 0.245 420 R C -0.329 175.913 176.300 -0.096 0.000 1.168 420 R CA -0.161 55.886 56.100 -0.088 0.000 1.096 420 R CB 0.699 30.908 30.300 -0.151 0.000 1.259 420 R HN 0.159 nan 8.270 nan 0.000 0.518 421 T N 0.698 115.235 114.554 -0.028 0.000 2.886 421 T HA 0.183 4.536 4.350 0.005 0.000 0.292 421 T C -0.981 173.783 174.700 0.105 0.000 1.012 421 T CA -0.583 61.540 62.100 0.039 0.000 0.982 421 T CB 1.063 69.970 68.868 0.065 0.000 1.018 421 T HN 0.394 nan 8.240 nan 0.000 0.451 422 Y N 2.660 122.993 120.300 0.056 0.000 2.620 422 Y HA 0.258 4.811 4.550 0.006 0.000 0.330 422 Y C 0.366 176.322 175.900 0.092 0.000 1.186 422 Y CA -0.401 57.773 58.100 0.124 0.000 1.467 422 Y CB 0.385 38.943 38.460 0.163 0.000 1.262 422 Y HN 0.666 nan 8.280 nan 0.000 0.550 423 E N 5.157 125.051 120.200 -0.509 0.000 2.182 423 E HA 0.616 4.969 4.350 0.005 0.000 0.258 423 E C -1.496 174.640 176.600 -0.773 0.000 0.879 423 E CA -0.912 55.163 56.400 -0.541 0.000 0.754 423 E CB 0.720 30.284 29.700 -0.227 0.000 1.162 423 E HN 0.835 nan 8.360 nan 0.000 0.419 424 A N 4.371 126.711 122.820 -0.799 0.000 2.279 424 A HA 0.379 4.702 4.320 0.005 0.000 0.306 424 A C -0.377 176.998 177.584 -0.349 0.000 1.300 424 A CA -0.506 51.249 52.037 -0.470 0.000 0.925 424 A CB 0.574 19.416 19.000 -0.262 0.000 1.152 424 A HN 0.429 nan 8.150 nan 0.000 0.544 425 V N 4.831 124.488 119.914 -0.427 0.000 2.465 425 V HA 0.260 4.383 4.120 0.005 0.000 0.279 425 V C -0.096 175.874 176.094 -0.207 0.000 1.045 425 V CA -0.365 61.693 62.300 -0.403 0.000 0.938 425 V CB 1.119 32.462 31.823 -0.800 0.000 0.986 425 V HN 0.669 nan 8.190 nan 0.000 0.467 426 I N 4.997 125.499 120.570 -0.114 0.000 2.378 426 I HA 0.482 4.655 4.170 0.005 0.000 0.291 426 I C 0.303 176.428 176.117 0.014 0.000 0.992 426 I CA -0.854 60.418 61.300 -0.046 0.000 1.154 426 I CB 1.688 39.638 38.000 -0.084 0.000 1.315 426 I HN 0.549 nan 8.210 nan 0.000 0.448 427 R N 3.512 124.045 120.500 0.055 0.000 2.490 427 R HA 0.415 4.758 4.340 0.005 0.000 0.280 427 R C -0.679 175.653 176.300 0.053 0.000 1.077 427 R CA -0.251 55.891 56.100 0.069 0.000 1.065 427 R CB 0.821 31.164 30.300 0.072 0.000 1.003 427 R HN 0.364 nan 8.270 nan 0.000 0.470 428 V N 2.721 122.673 119.914 0.064 0.000 2.348 428 V HA 0.373 4.496 4.120 0.005 0.000 0.270 428 V C 0.866 176.996 176.094 0.060 0.000 1.037 428 V CA -0.407 61.936 62.300 0.072 0.000 0.872 428 V CB 0.319 32.202 31.823 0.100 0.000 1.002 428 V HN 0.927 nan 8.190 nan 0.000 0.464 435 G N -0.657 108.082 108.800 -0.101 0.000 3.209 435 G HA2 1.051 5.013 3.960 0.005 0.000 0.236 435 G HA3 1.051 5.013 3.960 0.005 0.000 0.236 435 G C 0.582 175.522 174.900 0.066 0.000 1.329 435 G CA -0.296 44.825 45.100 0.035 0.000 1.015 435 G HN 2.225 nan 8.290 nan 0.000 0.571 436 G N -2.573 106.285 108.800 0.097 0.000 2.911 436 G HA2 0.135 4.098 3.960 0.005 0.000 0.686 436 G HA3 0.135 4.098 3.960 0.005 0.000 0.686 436 G C 0.592 175.572 174.900 0.134 0.000 1.136 436 G CA -0.050 45.110 45.100 0.099 0.000 0.764 436 G HN 1.265 nan 8.290 nan 0.000 0.626 437 V N 2.232 122.214 119.914 0.113 0.000 2.252 437 V HA -0.172 3.951 4.120 0.005 0.000 0.249 437 V C 3.425 179.582 176.094 0.104 0.000 1.056 437 V CA 3.631 66.017 62.300 0.142 0.000 1.022 437 V CB -1.295 30.629 31.823 0.170 0.000 0.641 437 V HN 1.856 nan 8.190 nan 0.000 0.445 438 A N -1.062 121.797 122.820 0.065 0.000 1.892 438 A HA -0.325 3.998 4.320 0.005 0.000 0.218 438 A C 2.169 179.767 177.584 0.022 0.000 1.188 438 A CA 2.520 54.562 52.037 0.008 0.000 0.631 438 A CB -0.890 18.102 19.000 -0.012 0.000 0.822 438 A HN 0.686 nan 8.150 nan 0.000 0.447 439 Y N 0.563 120.841 120.300 -0.036 0.000 2.133 439 Y HA -0.187 4.366 4.550 0.004 0.000 0.287 439 Y C 2.080 177.959 175.900 -0.035 0.000 1.134 439 Y CA 1.727 59.803 58.100 -0.041 0.000 1.133 439 Y CB -0.136 38.305 38.460 -0.032 0.000 0.987 439 Y HN 0.248 nan 8.280 nan 0.000 0.502 440 I N -0.014 120.580 120.570 0.040 0.000 2.208 440 I HA -0.327 3.846 4.170 0.005 0.000 0.245 440 I C 2.288 178.359 176.117 -0.077 0.000 1.097 440 I CA 1.410 62.688 61.300 -0.037 0.000 1.363 440 I CB -1.410 36.653 38.000 0.106 0.000 1.051 440 I HN 0.367 nan 8.210 nan 0.000 0.413 441 M N 0.396 119.988 119.600 -0.013 0.000 2.149 441 M HA -0.208 4.274 4.480 0.005 0.000 0.261 441 M C 2.209 178.454 176.300 -0.090 0.000 1.064 441 M CA 1.591 56.885 55.300 -0.011 0.000 1.102 441 M CB -1.050 31.475 32.600 -0.125 0.000 1.369 441 M HN 0.166 nan 8.290 nan 0.000 0.408 442 K N 0.150 120.447 120.400 -0.171 0.000 2.031 442 K HA -0.028 4.295 4.320 0.005 0.000 0.205 442 K C 1.807 178.244 176.600 -0.272 0.000 1.049 442 K CA 1.876 58.040 56.287 -0.206 0.000 0.939 442 K CB -0.670 31.695 32.500 -0.225 0.000 0.717 442 K HN 0.276 nan 8.250 nan 0.000 0.438 443 T N 0.859 115.165 114.554 -0.414 0.000 2.777 443 T HA -0.063 4.290 4.350 0.005 0.000 0.266 443 T C 0.872 175.353 174.700 -0.364 0.000 1.040 443 T CA 1.647 63.486 62.100 -0.435 0.000 1.141 443 T CB -0.242 68.238 68.868 -0.647 0.000 0.868 443 T HN 0.242 nan 8.240 nan 0.000 0.444 444 D N -0.199 119.944 120.400 -0.427 0.000 2.355 444 D HA 0.050 4.692 4.640 0.005 0.000 0.206 444 D C 1.425 177.168 176.300 -0.928 0.000 1.010 444 D CA 0.711 54.316 54.000 -0.660 0.000 0.875 444 D CB 0.098 40.432 40.800 -0.777 0.000 0.966 444 D HN 0.504 nan 8.370 nan 0.000 0.512 445 H N -1.689 117.189 119.070 -0.319 0.000 3.398 445 H HA 0.316 4.875 4.556 0.005 0.000 0.260 445 H C 1.134 176.339 175.328 -0.205 0.000 1.189 445 H CA 0.550 56.367 56.048 -0.385 0.000 1.145 445 H CB 1.326 30.722 29.762 -0.610 0.000 1.599 445 H HN 0.096 nan 8.280 nan 0.000 0.615 446 G N 1.863 110.615 108.800 -0.080 0.000 2.153 446 G HA2 -0.272 3.691 3.960 0.005 0.000 0.252 446 G HA3 -0.272 3.691 3.960 0.005 0.000 0.252 446 G C 0.013 174.989 174.900 0.126 0.000 0.994 446 G CA 0.271 45.365 45.100 -0.010 0.000 0.698 446 G HN 0.255 nan 8.290 nan 0.000 0.521 447 L N 0.948 122.231 121.223 0.099 0.000 2.296 447 L HA 0.557 4.900 4.340 0.005 0.000 0.286 447 L C 0.212 177.115 176.870 0.055 0.000 1.023 447 L CA -0.679 54.304 54.840 0.239 0.000 0.812 447 L CB 2.050 44.211 42.059 0.171 0.000 1.223 447 L HN 0.058 nan 8.230 nan 0.000 0.421 448 S N 4.818 120.523 115.700 0.009 0.000 2.464 448 S HA 0.429 4.902 4.470 0.005 0.000 0.313 448 S C 0.036 174.390 174.600 -0.409 0.000 1.078 448 S CA -0.577 57.456 58.200 -0.278 0.000 1.096 448 S CB 0.033 62.931 63.200 -0.503 0.000 1.032 448 S HN 0.353 nan 8.310 nan 0.000 0.498 449 L N 4.688 125.668 121.223 -0.404 0.000 2.360 449 L HA 0.283 4.626 4.340 0.005 0.000 0.276 449 L C -2.164 174.306 176.870 -0.667 0.000 1.121 449 L CA -1.991 52.492 54.840 -0.594 0.000 0.845 449 L CB -0.143 41.699 42.059 -0.361 0.000 1.143 449 L HN 0.233 nan 8.230 nan 0.000 0.452 450 P HA -0.003 nan 4.420 nan 0.000 0.266 450 P C 0.775 177.709 177.300 -0.610 0.000 1.193 450 P CA 0.155 62.749 63.100 -0.843 0.000 0.770 450 P CB 0.576 31.623 31.700 -1.087 0.000 0.836 451 R N 3.814 124.079 120.500 -0.391 0.000 2.117 451 R HA -0.211 4.132 4.340 0.005 0.000 0.243 451 R C 2.070 178.251 176.300 -0.199 0.000 1.143 451 R CA 2.024 57.981 56.100 -0.237 0.000 0.968 451 R CB -1.643 28.574 30.300 -0.138 0.000 0.863 451 R HN 0.499 nan 8.270 nan 0.000 0.444 452 R N -0.384 120.021 120.500 -0.158 0.000 2.148 452 R HA 0.141 4.483 4.340 0.005 0.000 0.227 452 R C 2.435 178.623 176.300 -0.186 0.000 1.103 452 R CA 1.166 57.280 56.100 0.023 0.000 0.983 452 R CB -0.405 30.136 30.300 0.403 0.000 0.874 452 R HN 0.470 nan 8.270 nan 0.000 0.451 453 L N 0.924 121.625 121.223 -0.870 0.000 2.056 453 L HA -0.213 4.129 4.340 0.005 0.000 0.207 453 L C 2.106 178.815 176.870 -0.268 0.000 1.078 453 L CA 1.452 55.730 54.840 -0.936 0.000 0.749 453 L CB -0.095 41.199 42.059 -1.276 0.000 0.901 453 L HN 0.230 nan 8.230 nan 0.000 0.433 454 Q N -0.100 119.562 119.800 -0.231 0.000 2.061 454 Q HA -0.260 4.083 4.340 0.005 0.000 0.204 454 Q C 2.166 178.182 176.000 0.027 0.000 0.984 454 Q CA 2.140 57.922 55.803 -0.035 0.000 0.846 454 Q CB -0.204 28.483 28.738 -0.085 0.000 0.902 454 Q HN 0.584 nan 8.270 nan 0.000 0.421 455 I N 0.481 121.035 120.570 -0.027 0.000 2.179 455 I HA -0.282 3.891 4.170 0.005 0.000 0.242 455 I C 2.554 178.694 176.117 0.037 0.000 1.088 455 I CA 1.352 62.640 61.300 -0.020 0.000 1.357 455 I CB -0.401 37.588 38.000 -0.018 0.000 1.051 455 I HN 0.319 nan 8.210 nan 0.000 0.409 456 E N 1.146 121.416 120.200 0.116 0.000 2.077 456 E HA -0.283 4.069 4.350 0.005 0.000 0.193 456 E C 2.249 178.998 176.600 0.249 0.000 0.989 456 E CA 1.436 57.959 56.400 0.204 0.000 0.800 456 E CB -0.187 29.713 29.700 0.334 0.000 0.746 456 E HN 0.400 nan 8.360 nan 0.000 0.452 457 F N 1.381 121.415 119.950 0.141 0.000 2.146 457 F HA -0.074 4.456 4.527 0.004 0.000 0.298 457 F C 2.288 178.153 175.800 0.108 0.000 1.096 457 F CA 1.551 59.669 58.000 0.197 0.000 1.275 457 F CB -0.517 38.655 39.000 0.286 0.000 1.008 457 F HN -0.046 nan 8.300 nan 0.000 0.480 458 S N -0.091 115.540 115.700 -0.115 0.000 2.399 458 S HA -0.266 4.207 4.470 0.005 0.000 0.231 458 S C 1.864 176.345 174.600 -0.198 0.000 1.022 458 S CA 1.379 59.430 58.200 -0.249 0.000 0.983 458 S CB -0.405 62.707 63.200 -0.147 0.000 0.803 458 S HN 0.489 nan 8.310 nan 0.000 0.480 459 Q N 0.970 120.709 119.800 -0.102 0.000 2.119 459 Q HA -0.037 4.306 4.340 0.005 0.000 0.201 459 Q C 2.009 177.979 176.000 -0.049 0.000 0.972 459 Q CA 1.237 57.008 55.803 -0.052 0.000 0.847 459 Q CB -0.355 28.390 28.738 0.012 0.000 0.903 459 Q HN 0.343 nan 8.270 nan 0.000 0.433 460 V N 0.399 120.280 119.914 -0.055 0.000 2.255 460 V HA -0.280 3.843 4.120 0.005 0.000 0.247 460 V C 2.143 178.155 176.094 -0.137 0.000 1.051 460 V CA 1.556 63.819 62.300 -0.063 0.000 1.018 460 V CB -0.591 31.237 31.823 0.008 0.000 0.641 460 V HN 0.427 nan 8.190 nan 0.000 0.445 461 I N -0.007 120.383 120.570 -0.299 0.000 2.208 461 I HA -0.259 3.914 4.170 0.005 0.000 0.245 461 I C 2.577 178.612 176.117 -0.138 0.000 1.097 461 I CA 1.670 62.809 61.300 -0.270 0.000 1.363 461 I CB -1.314 36.446 38.000 -0.400 0.000 1.051 461 I HN 0.455 nan 8.210 nan 0.000 0.413 462 Q N 1.348 121.077 119.800 -0.118 0.000 2.050 462 Q HA -0.161 4.182 4.340 0.005 0.000 0.202 462 Q C 0.239 176.222 176.000 -0.028 0.000 0.980 462 Q CA 1.381 57.149 55.803 -0.058 0.000 0.840 462 Q CB 0.403 29.117 28.738 -0.039 0.000 0.898 462 Q HN 0.523 nan 8.270 nan 0.000 0.424 476 S N 5.462 121.206 115.700 0.074 0.000 2.617 476 S HA 0.563 5.035 4.470 0.005 0.000 0.269 476 S C -1.874 172.800 174.600 0.123 0.000 1.292 476 S CA -0.538 57.713 58.200 0.086 0.000 1.010 476 S CB 1.457 64.704 63.200 0.078 0.000 0.944 476 S HN 0.619 nan 8.310 nan 0.000 0.536 477 P HA -0.118 nan 4.420 nan 0.000 0.216 477 P C 1.894 179.338 177.300 0.241 0.000 1.157 477 P CA 2.680 65.886 63.100 0.176 0.000 0.880 477 P CB -0.326 31.450 31.700 0.126 0.000 0.791 478 K N 0.382 120.901 120.400 0.198 0.000 2.057 478 K HA -0.217 4.106 4.320 0.005 0.000 0.207 478 K C 2.001 178.743 176.600 0.237 0.000 1.049 478 K CA 2.026 58.453 56.287 0.234 0.000 0.931 478 K CB -1.678 30.920 32.500 0.163 0.000 0.714 478 K HN 0.322 nan 8.250 nan 0.000 0.440 479 E N -0.348 119.956 120.200 0.174 0.000 2.077 479 E HA -0.132 4.221 4.350 0.005 0.000 0.193 479 E C 2.216 178.926 176.600 0.184 0.000 0.989 479 E CA 1.400 57.886 56.400 0.145 0.000 0.800 479 E CB -0.167 29.593 29.700 0.100 0.000 0.746 479 E HN 0.608 nan 8.360 nan 0.000 0.452 480 M N 0.487 120.228 119.600 0.233 0.000 2.086 480 M HA -0.176 4.307 4.480 0.005 0.000 0.261 480 M C 2.181 178.733 176.300 0.420 0.000 1.067 480 M CA 1.620 57.124 55.300 0.340 0.000 1.116 480 M CB -0.280 32.518 32.600 0.330 0.000 1.348 480 M HN 0.340 nan 8.290 nan 0.000 0.407 481 W N 1.832 123.230 121.300 0.163 0.000 2.335 481 W HA -0.250 4.413 4.660 0.005 0.000 0.311 481 W C 1.338 177.917 176.519 0.102 0.000 1.213 481 W CA 1.908 59.263 57.345 0.017 0.000 1.274 481 W CB -0.500 28.897 29.460 -0.105 0.000 1.148 481 W HN 0.341 nan 8.180 nan 0.000 0.498 482 D N 0.588 120.997 120.400 0.015 0.000 2.123 482 D HA -0.154 4.489 4.640 0.005 0.000 0.196 482 D C 2.345 178.589 176.300 -0.094 0.000 0.992 482 D CA 2.041 55.989 54.000 -0.087 0.000 0.833 482 D CB -0.852 39.985 40.800 0.061 0.000 0.954 482 D HN 0.187 nan 8.370 nan 0.000 0.455 483 A N 0.173 123.027 122.820 0.056 0.000 1.898 483 A HA -0.145 4.178 4.320 0.005 0.000 0.216 483 A C 2.111 179.791 177.584 0.160 0.000 1.181 483 A CA 0.881 52.997 52.037 0.131 0.000 0.620 483 A CB -0.955 18.180 19.000 0.224 0.000 0.819 483 A HN 0.239 nan 8.150 nan 0.000 0.442 484 F N 0.895 120.821 119.950 -0.040 0.000 2.102 484 F HA -0.082 4.448 4.527 0.004 0.000 0.298 484 F C 2.562 178.104 175.800 -0.430 0.000 1.105 484 F CA 1.407 59.180 58.000 -0.377 0.000 1.239 484 F CB -0.353 38.208 39.000 -0.733 0.000 0.991 484 F HN 0.250 nan 8.300 nan 0.000 0.474 485 A N 0.306 122.786 122.820 -0.567 0.000 1.902 485 A HA -0.162 4.161 4.320 0.005 0.000 0.217 485 A C 2.111 179.508 177.584 -0.313 0.000 1.181 485 A CA 2.241 53.964 52.037 -0.524 0.000 0.623 485 A CB -1.654 16.962 19.000 -0.640 0.000 0.818 485 A HN 0.488 nan 8.150 nan 0.000 0.443 486 E N -0.081 119.974 120.200 -0.242 0.000 2.160 486 E HA -0.229 4.123 4.350 0.005 0.000 0.195 486 E C 1.824 178.289 176.600 -0.225 0.000 0.991 486 E CA 1.645 57.940 56.400 -0.174 0.000 0.810 486 E CB -0.504 29.131 29.700 -0.108 0.000 0.742 486 E HN 0.676 nan 8.360 nan 0.000 0.466 487 E N -1.132 118.869 120.200 -0.331 0.000 2.033 487 E HA 0.008 4.361 4.350 0.005 0.000 0.189 487 E C 1.774 177.983 176.600 -0.651 0.000 0.979 487 E CA 1.199 57.277 56.400 -0.537 0.000 0.802 487 E CB -0.174 29.042 29.700 -0.807 0.000 0.763 487 E HN 0.792 nan 8.360 nan 0.000 0.449 488 Y N -0.644 119.393 120.300 -0.438 0.000 2.535 488 Y HA 0.210 4.763 4.550 0.004 0.000 0.266 488 Y C 2.146 177.874 175.900 -0.288 0.000 1.088 488 Y CA 0.111 57.960 58.100 -0.418 0.000 1.285 488 Y CB 0.484 38.498 38.460 -0.743 0.000 1.166 488 Y HN -0.111 nan 8.280 nan 0.000 0.525 489 L N -1.660 119.473 121.223 -0.150 0.000 2.445 489 L HA 0.263 4.605 4.340 0.005 0.000 0.207 489 L C 2.364 179.192 176.870 -0.070 0.000 1.053 489 L CA 0.750 55.541 54.840 -0.081 0.000 0.841 489 L CB -0.353 41.668 42.059 -0.064 0.000 1.074 489 L HN 0.076 nan 8.230 nan 0.000 0.479 490 A N 0.005 122.766 122.820 -0.099 0.000 1.930 490 A HA 0.118 4.441 4.320 0.005 0.000 0.215 490 A C -1.265 176.282 177.584 -0.062 0.000 1.176 490 A CA 0.373 52.367 52.037 -0.070 0.000 0.632 490 A CB -1.572 17.382 19.000 -0.077 0.000 0.819 490 A HN 0.185 nan 8.150 nan 0.000 0.445 491 P HA 0.208 nan 4.420 nan 0.000 0.265 491 P C 0.138 177.408 177.300 -0.050 0.000 1.193 491 P CA 0.428 63.487 63.100 -0.068 0.000 0.765 491 P CB 1.220 32.868 31.700 -0.088 0.000 0.823 492 V N 1.199 121.091 119.914 -0.037 0.000 3.398 492 V HA 0.286 4.409 4.120 0.005 0.000 0.298 492 V C 0.753 176.835 176.094 -0.020 0.000 1.496 492 V CA 0.631 62.916 62.300 -0.026 0.000 1.044 492 V CB 0.180 31.994 31.823 -0.015 0.000 0.880 492 V HN 0.626 nan 8.190 nan 0.000 0.443 493 R N 0.871 121.356 120.500 -0.024 0.000 2.725 493 R HA 0.662 5.005 4.340 0.005 0.000 0.277 493 R C -2.501 173.788 176.300 -0.019 0.000 0.987 493 R CA -1.076 55.019 56.100 -0.009 0.000 0.901 493 R CB 0.246 30.549 30.300 0.004 0.000 1.207 493 R HN 0.029 nan 8.270 nan 0.000 0.463 494 P HA 0.047 nan 4.420 nan 0.000 0.233 494 P C -0.109 177.213 177.300 0.036 0.000 1.167 494 P CA 0.429 63.570 63.100 0.069 0.000 0.770 494 P CB 0.451 32.268 31.700 0.196 0.000 0.837 495 L N 0.380 121.545 121.223 -0.098 0.000 2.356 495 L HA 0.447 4.790 4.340 0.005 0.000 0.277 495 L C -0.542 176.284 176.870 -0.073 0.000 0.996 495 L CA -0.694 54.053 54.840 -0.154 0.000 0.822 495 L CB 2.398 44.177 42.059 -0.466 0.000 1.256 495 L HN -0.139 nan 8.230 nan 0.000 0.413 496 E N 4.999 125.190 120.200 -0.015 0.000 2.222 496 E HA 0.341 4.694 4.350 0.005 0.000 0.267 496 E C -1.205 175.417 176.600 0.036 0.000 0.884 496 E CA -0.834 55.569 56.400 0.004 0.000 0.764 496 E CB 1.967 31.673 29.700 0.010 0.000 1.169 496 E HN 0.504 nan 8.360 nan 0.000 0.413 497 R N 6.323 126.848 120.500 0.041 0.000 2.246 497 R HA 0.220 4.563 4.340 0.005 0.000 0.332 497 R C 0.303 176.616 176.300 0.022 0.000 0.974 497 R CA -0.480 55.656 56.100 0.061 0.000 0.837 497 R CB 0.508 30.851 30.300 0.070 0.000 1.145 497 R HN 0.618 nan 8.270 nan 0.000 0.467 498 I N 3.782 124.370 120.570 0.029 0.000 2.296 498 I HA -0.001 4.172 4.170 0.005 0.000 0.242 498 I C 0.996 177.116 176.117 0.004 0.000 1.087 498 I CA 1.182 62.491 61.300 0.016 0.000 1.393 498 I CB -0.660 37.354 38.000 0.024 0.000 1.093 498 I HN 0.677 nan 8.210 nan 0.000 0.421 499 R N 1.260 121.765 120.500 0.008 0.000 2.728 499 R HA 0.523 4.866 4.340 0.005 0.000 0.274 499 R C -1.531 174.773 176.300 0.006 0.000 1.030 499 R CA -0.815 55.284 56.100 -0.002 0.000 0.876 499 R CB 1.522 31.828 30.300 0.010 0.000 1.259 499 R HN 0.069 nan 8.270 nan 0.000 0.468 500 Q N 1.434 121.232 119.800 -0.002 0.000 2.482 500 Q HA 0.276 4.619 4.340 0.005 0.000 0.286 500 Q C -1.720 174.318 176.000 0.063 0.000 1.007 500 Q CA -0.902 54.914 55.803 0.021 0.000 0.801 500 Q CB 1.755 30.464 28.738 -0.047 0.000 1.455 500 Q HN 0.809 nan 8.270 nan 0.000 0.398 501 H N 0.434 119.497 119.070 -0.012 0.000 2.595 501 H HA 0.606 5.164 4.556 0.005 0.000 0.313 501 H C -1.225 174.096 175.328 -0.011 0.000 1.023 501 H CA -0.395 55.646 56.048 -0.011 0.000 1.218 501 H CB 1.084 30.846 29.762 -0.000 0.000 1.403 501 H HN 0.388 nan 8.280 nan 0.000 0.477 502 V N 5.446 125.120 119.914 -0.400 0.000 2.348 502 V HA 0.103 4.225 4.120 0.005 0.000 0.270 502 V C 0.003 175.877 176.094 -0.367 0.000 1.037 502 V CA -0.679 61.454 62.300 -0.277 0.000 0.872 502 V CB 0.990 32.701 31.823 -0.187 0.000 1.002 502 V HN 0.789 nan 8.190 nan 0.000 0.464 503 D N 4.902 125.172 120.400 -0.217 0.000 2.485 503 D HA 0.490 5.133 4.640 0.005 0.000 0.221 503 D C 0.108 176.365 176.300 -0.071 0.000 1.112 503 D CA -0.166 53.755 54.000 -0.132 0.000 0.911 503 D CB 1.221 42.011 40.800 -0.017 0.000 1.019 503 D HN 0.660 nan 8.370 nan 0.000 0.516 504 A N 2.917 125.691 122.820 -0.076 0.000 2.289 504 A HA 0.680 5.002 4.320 0.005 0.000 0.298 504 A C 0.528 178.095 177.584 -0.029 0.000 1.208 504 A CA -0.500 51.508 52.037 -0.049 0.000 0.845 504 A CB 0.662 19.628 19.000 -0.056 0.000 1.125 504 A HN 0.674 nan 8.150 nan 0.000 0.517 505 A N 2.416 125.226 122.820 -0.017 0.000 2.520 505 A HA 0.289 4.612 4.320 0.005 0.000 0.235 505 A C 0.590 178.168 177.584 -0.010 0.000 1.065 505 A CA 0.145 52.176 52.037 -0.009 0.000 0.764 505 A CB 0.025 19.023 19.000 -0.003 0.000 1.002 505 A HN 0.804 nan 8.150 nan 0.000 0.502 506 D N 0.305 120.701 120.400 -0.006 0.000 2.194 506 D HA -0.009 4.633 4.640 0.005 0.000 0.204 506 D C -0.013 176.284 176.300 -0.005 0.000 0.964 506 D CA 1.160 55.156 54.000 -0.006 0.000 0.846 506 D CB 0.057 40.856 40.800 -0.003 0.000 0.962 506 D HN 0.603 nan 8.370 nan 0.000 0.490 507 D N 1.518 121.917 120.400 -0.003 0.000 2.210 507 D HA 0.074 4.717 4.640 0.005 0.000 0.249 507 D C -0.317 175.981 176.300 -0.003 0.000 1.062 507 D CA -0.420 53.579 54.000 -0.002 0.000 0.891 507 D CB 1.242 42.041 40.800 -0.000 0.000 1.186 507 D HN -0.067 nan 8.370 nan 0.000 0.432 508 D N 0.251 120.650 120.400 -0.002 0.000 2.525 508 D HA 0.200 4.842 4.640 0.005 0.000 0.235 508 D C 1.513 177.812 176.300 -0.001 0.000 1.137 508 D CA 0.805 54.804 54.000 -0.002 0.000 0.868 508 D CB 0.701 41.501 40.800 -0.000 0.000 1.180 508 D HN 0.722 nan 8.370 nan 0.000 0.465 509 G N 1.300 110.098 108.800 -0.002 0.000 2.176 509 G HA2 -0.178 3.785 3.960 0.005 0.000 0.253 509 G HA3 -0.178 3.785 3.960 0.005 0.000 0.253 509 G C 0.756 175.656 174.900 -0.000 0.000 0.979 509 G CA 0.192 45.291 45.100 -0.001 0.000 0.641 509 G HN 0.838 nan 8.290 nan 0.000 0.530 510 G N -0.687 108.112 108.800 -0.001 0.000 2.616 510 G HA2 0.542 4.505 3.960 0.005 0.000 0.268 510 G HA3 0.542 4.505 3.960 0.005 0.000 0.268 510 G C 0.231 175.131 174.900 0.001 0.000 1.213 510 G CA 0.598 45.698 45.100 0.000 0.000 0.926 510 G HN 0.536 nan 8.290 nan 0.000 0.523 511 T N 0.418 114.975 114.554 0.004 0.000 2.897 511 T HA 0.455 4.808 4.350 0.005 0.000 0.294 511 T C 0.283 174.985 174.700 0.003 0.000 1.004 511 T CA 0.254 62.360 62.100 0.009 0.000 1.106 511 T CB 1.070 69.947 68.868 0.015 0.000 0.949 511 T HN 0.385 nan 8.240 nan 0.000 0.520 512 T N 2.910 117.466 114.554 0.003 0.000 2.824 512 T HA 0.553 4.906 4.350 0.005 0.000 0.280 512 T C -0.154 174.551 174.700 0.009 0.000 0.995 512 T CA -0.571 61.525 62.100 -0.008 0.000 1.009 512 T CB 1.191 70.045 68.868 -0.025 0.000 0.955 512 T HN 0.489 nan 8.240 nan 0.000 0.452 513 S N 2.424 118.127 115.700 0.006 0.000 2.566 513 S HA 0.750 5.223 4.470 0.005 0.000 0.298 513 S C -1.148 173.465 174.600 0.022 0.000 1.083 513 S CA -0.760 57.458 58.200 0.029 0.000 0.978 513 S CB 1.401 64.624 63.200 0.038 0.000 1.073 513 S HN 0.612 nan 8.310 nan 0.000 0.491 514 I N 1.993 122.596 120.570 0.056 0.000 2.656 514 I HA 0.443 4.616 4.170 0.005 0.000 0.292 514 I C -1.256 174.923 176.117 0.104 0.000 1.144 514 I CA -0.160 61.181 61.300 0.067 0.000 1.038 514 I CB 2.105 40.156 38.000 0.085 0.000 1.244 514 I HN 0.574 nan 8.210 nan 0.000 0.420 515 T N 6.655 121.279 114.554 0.116 0.000 2.792 515 T HA 0.791 5.144 4.350 0.005 0.000 0.280 515 T C -0.407 174.368 174.700 0.126 0.000 0.990 515 T CA -0.444 61.728 62.100 0.120 0.000 0.960 515 T CB 1.490 70.423 68.868 0.108 0.000 0.939 515 T HN 0.701 nan 8.240 nan 0.000 0.439 516 A N 2.531 125.434 122.820 0.139 0.000 2.386 516 A HA 0.741 5.064 4.320 0.005 0.000 0.311 516 A C 0.022 177.677 177.584 0.118 0.000 1.068 516 A CA -0.794 51.331 52.037 0.146 0.000 0.743 516 A CB 1.095 20.259 19.000 0.275 0.000 1.258 516 A HN 0.653 nan 8.150 nan 0.000 0.429 517 T N 2.273 116.880 114.554 0.089 0.000 2.728 517 T HA 0.516 4.869 4.350 0.005 0.000 0.296 517 T C 0.132 174.881 174.700 0.082 0.000 0.940 517 T CA -0.084 62.059 62.100 0.072 0.000 1.013 517 T CB 0.203 69.100 68.868 0.047 0.000 0.912 517 T HN 1.342 nan 8.240 nan 0.000 0.484 518 V N -0.692 119.274 119.914 0.087 0.000 3.040 518 V HA 1.028 5.150 4.120 0.005 0.000 0.312 518 V C -0.451 175.686 176.094 0.071 0.000 1.115 518 V CA -1.429 60.925 62.300 0.090 0.000 0.998 518 V CB 1.448 33.343 31.823 0.120 0.000 1.042 518 V HN 0.809 nan 8.190 nan 0.000 0.433 519 K N 2.536 122.974 120.400 0.062 0.000 2.265 519 K HA 0.826 5.149 4.320 0.005 0.000 0.267 519 K C -0.859 175.787 176.600 0.076 0.000 0.994 519 K CA -0.494 55.827 56.287 0.057 0.000 0.860 519 K CB 1.234 33.758 32.500 0.039 0.000 1.099 519 K HN 0.829 nan 8.250 nan 0.000 0.448 520 I N 3.107 123.734 120.570 0.095 0.000 2.328 520 I HA 0.158 4.331 4.170 0.005 0.000 0.287 520 I C -0.102 176.075 176.117 0.100 0.000 1.012 520 I CA -0.689 60.698 61.300 0.144 0.000 1.195 520 I CB 1.099 39.201 38.000 0.170 0.000 1.350 520 I HN 0.806 nan 8.210 nan 0.000 0.464 521 N N 5.720 124.479 118.700 0.099 0.000 2.714 521 N HA -0.221 4.521 4.740 0.005 0.000 0.252 521 N C 1.010 176.545 175.510 0.042 0.000 1.014 521 N CA 1.194 54.281 53.050 0.063 0.000 0.735 521 N CB -0.711 37.811 38.487 0.058 0.000 0.924 521 N HN 1.166 nan 8.380 nan 0.000 0.540 522 G N -2.924 105.899 108.800 0.039 0.000 2.234 522 G HA2 -0.242 3.720 3.960 0.005 0.000 0.260 522 G HA3 -0.242 3.720 3.960 0.005 0.000 0.260 522 G C 0.346 175.264 174.900 0.029 0.000 0.987 522 G CA 0.763 45.881 45.100 0.029 0.000 0.625 522 G HN 1.171 nan 8.290 nan 0.000 0.532 523 V N 0.784 120.719 119.914 0.035 0.000 2.385 523 V HA 0.726 4.849 4.120 0.005 0.000 0.269 523 V C 0.576 176.692 176.094 0.037 0.000 1.043 523 V CA 0.084 62.403 62.300 0.031 0.000 0.906 523 V CB 0.852 32.691 31.823 0.027 0.000 0.995 523 V HN 0.404 nan 8.190 nan 0.000 0.467 524 E N 3.613 123.832 120.200 0.031 0.000 2.415 524 E HA 0.437 4.790 4.350 0.005 0.000 0.263 524 E C 0.007 176.627 176.600 0.035 0.000 0.995 524 E CA 0.667 57.088 56.400 0.034 0.000 0.915 524 E CB 0.585 30.301 29.700 0.027 0.000 0.951 524 E HN 0.847 nan 8.360 nan 0.000 0.449 525 T N 2.902 117.483 114.554 0.044 0.000 2.731 525 T HA 0.322 4.674 4.350 0.005 0.000 0.300 525 T C -1.790 172.941 174.700 0.051 0.000 1.283 525 T CA -0.740 61.385 62.100 0.042 0.000 1.005 525 T CB 1.538 70.430 68.868 0.040 0.000 1.420 525 T HN 0.407 nan 8.240 nan 0.000 0.503 526 E N 1.349 121.577 120.200 0.046 0.000 2.191 526 E HA 0.643 4.996 4.350 0.005 0.000 0.263 526 E C -0.745 175.887 176.600 0.055 0.000 0.881 526 E CA -0.710 55.721 56.400 0.052 0.000 0.757 526 E CB 0.786 30.510 29.700 0.040 0.000 1.147 526 E HN 0.648 nan 8.360 nan 0.000 0.414 527 I N 0.609 121.222 120.570 0.072 0.000 2.693 527 I HA 0.825 4.997 4.170 0.005 0.000 0.303 527 I C -0.739 175.426 176.117 0.079 0.000 1.025 527 I CA -0.853 60.487 61.300 0.067 0.000 1.086 527 I CB 2.312 40.350 38.000 0.064 0.000 1.268 527 I HN 0.459 nan 8.210 nan 0.000 0.440 528 S N 2.348 118.088 115.700 0.065 0.000 2.540 528 S HA 0.974 5.447 4.470 0.005 0.000 0.275 528 S C -0.506 174.137 174.600 0.071 0.000 1.123 528 S CA -0.482 57.762 58.200 0.073 0.000 0.907 528 S CB 1.623 64.858 63.200 0.059 0.000 1.081 528 S HN 1.357 nan 8.310 nan 0.000 0.476 529 G N 0.426 109.279 108.800 0.087 0.000 2.660 529 G HA2 0.674 4.636 3.960 0.005 0.000 0.290 529 G HA3 0.674 4.636 3.960 0.005 0.000 0.290 529 G C -1.513 173.449 174.900 0.104 0.000 1.432 529 G CA -0.726 44.435 45.100 0.102 0.000 0.807 529 G HN 0.842 nan 8.290 nan 0.000 0.485 530 S N -1.730 114.050 115.700 0.133 0.000 2.599 530 S HA 0.968 5.441 4.470 0.005 0.000 0.287 530 S C 0.098 174.818 174.600 0.201 0.000 1.105 530 S CA 0.001 58.271 58.200 0.117 0.000 0.899 530 S CB 2.008 65.252 63.200 0.073 0.000 1.100 530 S HN 1.703 nan 8.310 nan 0.000 0.482 531 G N 1.145 110.018 108.800 0.122 0.000 2.489 531 G HA2 0.330 4.293 3.960 0.005 0.000 0.305 531 G HA3 0.330 4.293 3.960 0.005 0.000 0.305 531 G C -0.326 174.605 174.900 0.052 0.000 1.311 531 G CA -0.620 44.560 45.100 0.133 0.000 0.813 531 G HN 0.583 nan 8.290 nan 0.000 0.480 532 N N -0.572 118.150 118.700 0.037 0.000 2.515 532 N HA 0.341 5.084 4.740 0.005 0.000 0.185 532 N C 0.759 176.258 175.510 -0.018 0.000 1.109 532 N CA 1.127 54.181 53.050 0.008 0.000 0.903 532 N CB 0.535 39.026 38.487 0.008 0.000 0.969 532 N HN 1.067 nan 8.380 nan 0.000 0.450 533 G N -0.845 107.933 108.800 -0.036 0.000 2.663 533 G HA2 0.373 4.336 3.960 0.005 0.000 0.299 533 G HA3 0.373 4.336 3.960 0.005 0.000 0.299 533 G C -2.464 172.396 174.900 -0.067 0.000 1.372 533 G CA -0.881 44.185 45.100 -0.058 0.000 0.781 533 G HN -0.117 nan 8.290 nan 0.000 0.491 534 P HA -0.057 nan 4.420 nan 0.000 0.217 534 P C 2.003 179.265 177.300 -0.064 0.000 1.150 534 P CA 0.627 63.681 63.100 -0.077 0.000 0.832 534 P CB 0.497 32.135 31.700 -0.103 0.000 0.787 535 L N -0.368 120.789 121.223 -0.109 0.000 2.027 535 L HA -0.071 4.271 4.340 0.005 0.000 0.206 535 L C 2.586 179.389 176.870 -0.112 0.000 1.074 535 L CA 1.823 56.605 54.840 -0.097 0.000 0.745 535 L CB -0.950 40.986 42.059 -0.206 0.000 0.898 535 L HN -0.103 nan 8.230 nan 0.000 0.433 536 A N -0.134 122.579 122.820 -0.179 0.000 1.908 536 A HA -0.246 4.076 4.320 0.005 0.000 0.218 536 A C 2.415 179.726 177.584 -0.455 0.000 1.181 536 A CA 1.967 53.800 52.037 -0.339 0.000 0.627 536 A CB -1.074 17.815 19.000 -0.186 0.000 0.818 536 A HN 0.592 nan 8.150 nan 0.000 0.445 537 A N -1.428 121.304 122.820 -0.148 0.000 1.877 537 A HA -0.022 4.301 4.320 0.005 0.000 0.216 537 A C 2.053 179.656 177.584 0.031 0.000 1.186 537 A CA 1.662 53.686 52.037 -0.021 0.000 0.620 537 A CB -0.703 18.317 19.000 0.034 0.000 0.822 537 A HN 0.626 nan 8.150 nan 0.000 0.443 538 F N 0.664 120.540 119.950 -0.123 0.000 2.134 538 F HA -0.121 4.409 4.527 0.005 0.000 0.299 538 F C 2.323 178.071 175.800 -0.086 0.000 1.097 538 F CA 1.539 59.489 58.000 -0.083 0.000 1.264 538 F CB -0.497 38.452 39.000 -0.085 0.000 1.001 538 F HN 0.023 nan 8.300 nan 0.000 0.479 539 V N 0.233 120.030 119.914 -0.195 0.000 2.332 539 V HA -0.377 3.745 4.120 0.005 0.000 0.248 539 V C 2.290 178.290 176.094 -0.157 0.000 1.055 539 V CA 2.623 64.770 62.300 -0.255 0.000 1.038 539 V CB -0.971 30.703 31.823 -0.248 0.000 0.651 539 V HN 0.470 nan 8.190 nan 0.000 0.450 540 H N -0.444 118.592 119.070 -0.056 0.000 2.428 540 H HA 0.022 4.580 4.556 0.004 0.000 0.296 540 H C 2.284 177.582 175.328 -0.049 0.000 1.062 540 H CA 0.906 56.929 56.048 -0.042 0.000 1.350 540 H CB -0.141 29.610 29.762 -0.018 0.000 1.403 540 H HN 0.474 nan 8.280 nan 0.000 0.533 541 A N 1.229 124.071 122.820 0.037 0.000 1.908 541 A HA -0.150 4.173 4.320 0.005 0.000 0.218 541 A C 2.272 179.823 177.584 -0.055 0.000 1.181 541 A CA 1.270 53.306 52.037 -0.002 0.000 0.627 541 A CB -0.733 18.277 19.000 0.016 0.000 0.818 541 A HN 0.304 nan 8.150 nan 0.000 0.445 542 L N -0.853 120.272 121.223 -0.163 0.000 2.093 542 L HA -0.157 4.186 4.340 0.005 0.000 0.208 542 L C 3.060 179.946 176.870 0.026 0.000 1.085 542 L CA 0.816 55.607 54.840 -0.082 0.000 0.755 542 L CB -0.547 41.392 42.059 -0.199 0.000 0.904 542 L HN 0.434 nan 8.230 nan 0.000 0.435 543 A N -0.052 122.773 122.820 0.008 0.000 1.948 543 A HA -0.267 4.055 4.320 0.005 0.000 0.220 543 A C 1.848 179.419 177.584 -0.022 0.000 1.177 543 A CA 2.152 54.195 52.037 0.009 0.000 0.636 543 A CB -0.517 18.503 19.000 0.033 0.000 0.815 543 A HN 0.365 nan 8.150 nan 0.000 0.449 544 D N -0.804 119.587 120.400 -0.014 0.000 2.348 544 D HA -0.032 4.611 4.640 0.005 0.000 0.216 544 D C 1.449 177.718 176.300 -0.052 0.000 0.970 544 D CA 1.447 55.431 54.000 -0.027 0.000 0.889 544 D CB 0.062 40.856 40.800 -0.009 0.000 0.912 544 D HN 0.495 nan 8.370 nan 0.000 0.524 545 V N -3.953 115.920 119.914 -0.068 0.000 3.121 545 V HA 0.599 4.721 4.120 0.005 0.000 0.344 545 V C 1.146 177.023 176.094 -0.361 0.000 1.390 545 V CA 0.083 62.301 62.300 -0.137 0.000 1.177 545 V CB 0.168 31.963 31.823 -0.048 0.000 1.163 545 V HN 0.104 nan 8.190 nan 0.000 0.484 546 G N 0.679 109.300 108.800 -0.300 0.000 2.136 546 G HA2 -0.262 3.700 3.960 0.005 0.000 0.242 546 G HA3 -0.262 3.700 3.960 0.005 0.000 0.242 546 G C -0.373 174.211 174.900 -0.525 0.000 0.989 546 G CA 0.300 45.170 45.100 -0.382 0.000 0.682 546 G HN 0.637 nan 8.290 nan 0.000 0.522 547 F N 1.106 121.023 119.950 -0.055 0.000 2.332 547 F HA 0.488 5.018 4.527 0.004 0.000 0.368 547 F C 0.233 175.995 175.800 -0.062 0.000 1.110 547 F CA -1.157 56.806 58.000 -0.061 0.000 1.087 547 F CB 1.498 40.448 39.000 -0.083 0.000 1.235 547 F HN 0.030 nan 8.300 nan 0.000 0.470 548 D N 3.642 124.098 120.400 0.094 0.000 2.347 548 D HA 0.334 4.976 4.640 0.005 0.000 0.235 548 D C -0.944 175.384 176.300 0.046 0.000 1.149 548 D CA -0.120 53.910 54.000 0.050 0.000 0.850 548 D CB 1.146 41.959 40.800 0.021 0.000 1.061 548 D HN 0.208 nan 8.370 nan 0.000 0.487 549 V N 3.743 123.673 119.914 0.026 0.000 2.293 549 V HA 0.567 4.690 4.120 0.005 0.000 0.275 549 V C 0.375 176.464 176.094 -0.008 0.000 1.021 549 V CA -1.005 61.294 62.300 -0.001 0.000 0.815 549 V CB 0.846 32.649 31.823 -0.033 0.000 1.025 549 V HN 0.733 nan 8.190 nan 0.000 0.448 550 A N 5.395 128.210 122.820 -0.010 0.000 2.316 550 A HA 0.622 4.944 4.320 0.005 0.000 0.311 550 A C -0.082 177.481 177.584 -0.036 0.000 1.339 550 A CA -0.330 51.700 52.037 -0.012 0.000 0.960 550 A CB 0.361 19.356 19.000 -0.007 0.000 1.152 550 A HN 0.606 nan 8.150 nan 0.000 0.547 551 V N 4.868 124.758 119.914 -0.040 0.000 2.479 551 V HA 0.021 4.144 4.120 0.005 0.000 0.281 551 V C 1.167 177.224 176.094 -0.062 0.000 1.031 551 V CA 0.466 62.730 62.300 -0.059 0.000 1.038 551 V CB 0.688 32.479 31.823 -0.054 0.000 0.981 551 V HN 0.912 nan 8.190 nan 0.000 0.478 552 L N 2.657 123.819 121.223 -0.101 0.000 2.425 552 L HA 0.409 4.752 4.340 0.005 0.000 0.215 552 L C 0.519 177.341 176.870 -0.080 0.000 1.065 552 L CA 0.604 55.390 54.840 -0.091 0.000 0.842 552 L CB 0.298 42.283 42.059 -0.123 0.000 1.033 552 L HN 0.625 nan 8.230 nan 0.000 0.474 553 D N -2.118 118.212 120.400 -0.116 0.000 2.671 553 D HA 0.307 4.950 4.640 0.005 0.000 0.273 553 D C -1.952 174.341 176.300 -0.011 0.000 1.264 553 D CA -0.359 53.598 54.000 -0.071 0.000 0.788 553 D CB 2.254 43.067 40.800 0.022 0.000 1.324 553 D HN -0.161 nan 8.370 nan 0.000 0.424 554 Y N 0.963 121.116 120.300 -0.245 0.000 2.480 554 Y HA 0.584 5.137 4.550 0.004 0.000 0.329 554 Y C -2.302 173.375 175.900 -0.372 0.000 1.127 554 Y CA -0.533 57.497 58.100 -0.117 0.000 1.037 554 Y CB 0.797 39.212 38.460 -0.075 0.000 1.320 554 Y HN 0.379 nan 8.280 nan 0.000 0.446 555 Y N 3.209 123.181 120.300 -0.547 0.000 2.562 555 Y HA 0.635 5.187 4.550 0.004 0.000 0.345 555 Y C -0.681 175.012 175.900 -0.345 0.000 1.045 555 Y CA -0.965 56.871 58.100 -0.440 0.000 1.028 555 Y CB 2.707 41.154 38.460 -0.021 0.000 1.297 555 Y HN 0.707 nan 8.280 nan 0.000 0.463 556 E N 0.940 121.113 120.200 -0.046 0.000 2.372 556 E HA 0.477 4.829 4.350 0.005 0.000 0.279 556 E C -1.934 174.772 176.600 0.177 0.000 0.946 556 E CA -0.786 55.659 56.400 0.076 0.000 0.769 556 E CB 2.081 31.814 29.700 0.054 0.000 1.230 556 E HN 0.790 nan 8.360 nan 0.000 0.442 557 H N 0.089 119.238 119.070 0.131 0.000 3.016 557 H HA 0.750 5.309 4.556 0.004 0.000 0.362 557 H C -1.268 174.098 175.328 0.064 0.000 1.233 557 H CA -0.759 55.341 56.048 0.088 0.000 1.124 557 H CB 1.053 30.865 29.762 0.083 0.000 1.850 557 H HN 0.476 nan 8.280 nan 0.000 0.549 558 A N 1.882 124.808 122.820 0.176 0.000 2.407 558 A HA 0.300 4.623 4.320 0.005 0.000 0.248 558 A C 0.651 178.362 177.584 0.212 0.000 1.082 558 A CA -0.473 51.629 52.037 0.110 0.000 0.785 558 A CB -0.016 19.034 19.000 0.084 0.000 1.020 558 A HN 0.879 nan 8.150 nan 0.000 0.489 559 M N 1.369 121.026 119.600 0.096 0.000 2.428 559 M HA 0.105 4.588 4.480 0.005 0.000 0.239 559 M C 0.491 176.824 176.300 0.056 0.000 1.121 559 M CA 0.664 56.029 55.300 0.110 0.000 1.019 559 M CB -0.184 32.444 32.600 0.047 0.000 1.485 559 M HN 0.906 nan 8.290 nan 0.000 0.484 560 S N -1.101 114.624 115.700 0.042 0.000 2.703 560 S HA 0.789 5.262 4.470 0.005 0.000 0.273 560 S C -0.737 173.874 174.600 0.018 0.000 1.178 560 S CA -0.906 57.304 58.200 0.017 0.000 0.838 560 S CB 1.074 64.275 63.200 0.001 0.000 1.178 560 S HN 0.119 nan 8.310 nan 0.000 0.494 561 A N -0.089 122.735 122.820 0.007 0.000 2.259 561 A HA 0.882 5.204 4.320 0.005 0.000 0.278 561 A C 0.993 178.580 177.584 0.005 0.000 1.107 561 A CA 0.074 52.115 52.037 0.007 0.000 0.828 561 A CB -0.778 18.223 19.000 0.001 0.000 1.111 561 A HN 2.752 nan 8.150 nan 0.000 0.498 562 G N -0.183 108.621 108.800 0.005 0.000 2.788 562 G HA2 -0.004 3.959 3.960 0.005 0.000 0.686 562 G HA3 -0.004 3.959 3.960 0.005 0.000 0.686 562 G C 0.005 174.909 174.900 0.006 0.000 1.147 562 G CA 0.298 45.400 45.100 0.004 0.000 0.755 562 G HN 1.293 nan 8.290 nan 0.000 0.634 563 D N 0.427 120.830 120.400 0.004 0.000 2.310 563 D HA -0.105 4.538 4.640 0.005 0.000 0.212 563 D C 1.163 177.464 176.300 0.002 0.000 0.965 563 D CA 1.451 55.454 54.000 0.005 0.000 0.879 563 D CB -0.030 40.772 40.800 0.003 0.000 0.921 563 D HN 0.590 nan 8.370 nan 0.000 0.510 564 D N 0.725 121.125 120.400 0.000 0.000 2.328 564 D HA 0.168 4.811 4.640 0.005 0.000 0.221 564 D C 0.653 176.951 176.300 -0.003 0.000 1.072 564 D CA -0.396 53.603 54.000 -0.002 0.000 0.850 564 D CB -0.274 40.524 40.800 -0.003 0.000 0.922 564 D HN 0.227 nan 8.370 nan 0.000 0.516 565 A N 0.729 123.549 122.820 -0.000 0.000 2.507 565 A HA 0.091 4.413 4.320 0.005 0.000 0.235 565 A C 0.753 178.333 177.584 -0.006 0.000 1.070 565 A CA -0.177 51.861 52.037 0.000 0.000 0.768 565 A CB 0.230 19.235 19.000 0.009 0.000 1.011 565 A HN 0.148 nan 8.150 nan 0.000 0.502 566 Q N -0.176 119.618 119.800 -0.010 0.000 2.364 566 Q HA 0.402 4.744 4.340 0.005 0.000 0.267 566 Q C 0.095 176.072 176.000 -0.038 0.000 0.999 566 Q CA 0.552 56.342 55.803 -0.022 0.000 0.886 566 Q CB 0.945 29.671 28.738 -0.021 0.000 1.243 566 Q HN 0.786 nan 8.270 nan 0.000 0.415 567 A N 1.127 123.911 122.820 -0.060 0.000 2.330 567 A HA 0.736 5.059 4.320 0.005 0.000 0.327 567 A C -0.825 176.657 177.584 -0.171 0.000 1.155 567 A CA -0.440 51.538 52.037 -0.098 0.000 0.803 567 A CB 1.257 20.225 19.000 -0.054 0.000 1.208 567 A HN 0.675 nan 8.150 nan 0.000 0.477 568 A N 1.379 124.003 122.820 -0.327 0.000 2.303 568 A HA 0.780 5.102 4.320 0.005 0.000 0.320 568 A C 0.090 177.392 177.584 -0.470 0.000 1.192 568 A CA 0.135 51.908 52.037 -0.441 0.000 0.821 568 A CB 0.694 19.372 19.000 -0.536 0.000 1.188 568 A HN 2.103 nan 8.150 nan 0.000 0.492 569 A N 1.880 124.426 122.820 -0.457 0.000 2.356 569 A HA 0.861 5.183 4.320 0.005 0.000 0.323 569 A C -1.391 175.923 177.584 -0.450 0.000 1.119 569 A CA -0.454 51.446 52.037 -0.228 0.000 0.790 569 A CB 0.854 19.880 19.000 0.043 0.000 1.273 569 A HN 0.829 nan 8.150 nan 0.000 0.452 570 Y N 0.026 120.463 120.300 0.228 0.000 2.421 570 Y HA 0.544 5.096 4.550 0.005 0.000 0.339 570 Y C -0.394 175.792 175.900 0.476 0.000 0.996 570 Y CA -0.841 57.479 58.100 0.366 0.000 1.046 570 Y CB 2.451 41.143 38.460 0.387 0.000 1.226 570 Y HN 0.397 nan 8.280 nan 0.000 0.445 571 V N 2.740 122.973 119.914 0.532 0.000 2.531 571 V HA 0.327 4.449 4.120 0.005 0.000 0.301 571 V C -0.568 175.480 176.094 -0.077 0.000 1.034 571 V CA -1.002 61.451 62.300 0.255 0.000 0.865 571 V CB 1.842 33.766 31.823 0.168 0.000 0.995 571 V HN 0.774 nan 8.190 nan 0.000 0.424 572 E N 3.033 122.879 120.200 -0.591 0.000 2.197 572 E HA 0.763 5.115 4.350 0.005 0.000 0.281 572 E C -0.610 175.727 176.600 -0.439 0.000 0.995 572 E CA -0.374 55.403 56.400 -1.039 0.000 0.808 572 E CB 1.656 30.435 29.700 -1.534 0.000 1.093 572 E HN 0.900 nan 8.360 nan 0.000 0.394 573 A N 2.973 125.602 122.820 -0.319 0.000 2.547 573 A HA 0.354 4.677 4.320 0.005 0.000 0.297 573 A C -1.045 176.477 177.584 -0.104 0.000 1.056 573 A CA -0.653 51.290 52.037 -0.156 0.000 0.688 573 A CB 1.989 20.934 19.000 -0.092 0.000 1.282 573 A HN 0.439 nan 8.150 nan 0.000 0.400 574 S N 1.251 116.912 115.700 -0.064 0.000 2.411 574 S HA 0.532 5.005 4.470 0.005 0.000 0.294 574 S C -0.562 174.033 174.600 -0.009 0.000 1.115 574 S CA -0.301 57.882 58.200 -0.028 0.000 1.071 574 S CB -0.276 62.914 63.200 -0.018 0.000 0.967 574 S HN 0.923 nan 8.310 nan 0.000 0.488 575 V N 5.630 125.547 119.914 0.005 0.000 2.417 575 V HA 0.484 4.607 4.120 0.005 0.000 0.291 575 V C 0.144 176.261 176.094 0.039 0.000 1.024 575 V CA -0.627 61.688 62.300 0.024 0.000 0.861 575 V CB 1.879 33.718 31.823 0.027 0.000 0.985 575 V HN 0.878 nan 8.190 nan 0.000 0.436 576 T N 6.334 120.916 114.554 0.047 0.000 2.792 576 T HA 0.659 5.012 4.350 0.005 0.000 0.280 576 T C -0.343 174.393 174.700 0.060 0.000 0.990 576 T CA -0.168 61.956 62.100 0.041 0.000 0.960 576 T CB 0.960 69.840 68.868 0.019 0.000 0.939 576 T HN 0.390 nan 8.240 nan 0.000 0.439 577 I N 2.484 123.089 120.570 0.058 0.000 2.404 577 I HA 0.570 4.743 4.170 0.005 0.000 0.293 577 I C 0.775 176.868 176.117 -0.041 0.000 0.992 577 I CA -1.238 60.090 61.300 0.046 0.000 1.149 577 I CB 1.542 39.634 38.000 0.153 0.000 1.315 577 I HN 0.654 nan 8.210 nan 0.000 0.446 578 A N 4.356 127.096 122.820 -0.134 0.000 2.448 578 A HA 0.601 4.924 4.320 0.005 0.000 0.239 578 A C 0.792 178.320 177.584 -0.093 0.000 1.080 578 A CA 0.847 52.810 52.037 -0.124 0.000 0.779 578 A CB -0.165 18.728 19.000 -0.179 0.000 1.026 578 A HN 1.400 nan 8.150 nan 0.000 0.499 615 S N -0.290 115.422 115.700 0.020 0.000 2.608 615 S HA 0.977 5.450 4.470 0.005 0.000 0.291 615 S C -0.177 174.440 174.600 0.027 0.000 1.146 615 S CA 0.111 58.325 58.200 0.023 0.000 1.043 615 S CB 1.304 64.514 63.200 0.017 0.000 1.037 615 S HN 1.670 nan 8.310 nan 0.000 0.520 616 K N 0.977 121.395 120.400 0.029 0.000 2.397 616 K HA 0.681 5.004 4.320 0.005 0.000 0.253 616 K C -0.391 176.226 176.600 0.028 0.000 0.932 616 K CA -0.880 55.429 56.287 0.036 0.000 0.795 616 K CB 1.103 33.627 32.500 0.040 0.000 1.159 616 K HN 0.746 nan 8.250 nan 0.000 0.424 617 T N 2.271 116.844 114.554 0.033 0.000 2.761 617 T HA 0.541 4.893 4.350 0.005 0.000 0.296 617 T C 0.225 174.950 174.700 0.040 0.000 0.934 617 T CA 0.042 62.148 62.100 0.011 0.000 1.091 617 T CB 0.039 68.916 68.868 0.014 0.000 0.896 617 T HN 1.086 nan 8.240 nan 0.000 0.515 618 V N 0.829 120.745 119.914 0.004 0.000 3.159 618 V HA 0.805 4.928 4.120 0.005 0.000 0.308 618 V C -1.744 174.363 176.094 0.022 0.000 1.190 618 V CA -1.565 60.796 62.300 0.102 0.000 1.037 618 V CB 1.664 33.554 31.823 0.113 0.000 1.060 618 V HN 0.832 nan 8.190 nan 0.000 0.437 619 W N 0.087 121.506 121.300 0.197 0.000 2.578 619 W HA 0.857 5.519 4.660 0.004 0.000 0.346 619 W C 0.533 177.195 176.519 0.240 0.000 1.075 619 W CA 0.134 57.600 57.345 0.202 0.000 1.233 619 W CB 2.191 31.753 29.460 0.170 0.000 1.358 619 W HN 1.066 nan 8.180 nan 0.000 0.574 620 G N 0.344 109.399 108.800 0.424 0.000 2.533 620 G HA2 0.696 4.658 3.960 0.005 0.000 0.304 620 G HA3 0.696 4.658 3.960 0.005 0.000 0.304 620 G C -2.039 172.998 174.900 0.228 0.000 1.263 620 G CA -0.779 44.506 45.100 0.309 0.000 0.964 620 G HN 0.292 nan 8.290 nan 0.000 0.479 621 V N -0.052 119.913 119.914 0.085 0.000 2.588 621 V HA 0.867 4.990 4.120 0.005 0.000 0.304 621 V C 0.421 176.469 176.094 -0.078 0.000 1.042 621 V CA -0.355 61.897 62.300 -0.080 0.000 0.877 621 V CB 1.802 33.546 31.823 -0.132 0.000 0.996 621 V HN 1.137 nan 8.190 nan 0.000 0.425 622 G N 3.799 112.507 108.800 -0.153 0.000 2.591 622 G HA2 0.812 4.775 3.960 0.005 0.000 0.306 622 G HA3 0.812 4.775 3.960 0.005 0.000 0.306 622 G C -1.463 173.355 174.900 -0.136 0.000 1.334 622 G CA -0.524 44.516 45.100 -0.100 0.000 0.981 622 G HN 0.581 nan 8.290 nan 0.000 0.491 623 I N 1.146 121.670 120.570 -0.078 0.000 2.466 623 I HA 0.722 4.895 4.170 0.005 0.000 0.289 623 I C 0.104 176.192 176.117 -0.048 0.000 1.026 623 I CA -0.577 60.680 61.300 -0.071 0.000 1.078 623 I CB 2.187 40.175 38.000 -0.020 0.000 1.249 623 I HN 0.737 nan 8.210 nan 0.000 0.429 624 A N 7.249 130.037 122.820 -0.054 0.000 2.601 624 A HA 0.712 5.035 4.320 0.005 0.000 0.291 624 A C -2.556 175.006 177.584 -0.037 0.000 1.075 624 A CA -0.957 51.055 52.037 -0.042 0.000 0.671 624 A CB 1.387 20.356 19.000 -0.051 0.000 1.277 624 A HN 0.431 nan 8.150 nan 0.000 0.417 625 P HA 0.003 nan 4.420 nan 0.000 0.229 625 P C 0.646 177.931 177.300 -0.025 0.000 1.160 625 P CA 1.041 64.127 63.100 -0.023 0.000 0.777 625 P CB 0.277 31.966 31.700 -0.018 0.000 0.814 626 S N -0.532 115.149 115.700 -0.032 0.000 2.457 626 S HA 0.304 4.777 4.470 0.005 0.000 0.289 626 S C 1.312 175.891 174.600 -0.033 0.000 1.163 626 S CA -0.725 57.455 58.200 -0.033 0.000 1.078 626 S CB 0.060 63.233 63.200 -0.044 0.000 0.987 626 S HN -0.162 nan 8.310 nan 0.000 0.482 627 I N 4.100 124.658 120.570 -0.020 0.000 2.185 627 I HA -0.233 3.939 4.170 0.005 0.000 0.246 627 I C 2.353 178.461 176.117 -0.015 0.000 1.088 627 I CA 1.609 62.908 61.300 -0.003 0.000 1.347 627 I CB -0.455 37.554 38.000 0.017 0.000 1.041 627 I HN 0.662 nan 8.210 nan 0.000 0.415 628 T N -0.515 114.014 114.554 -0.041 0.000 2.732 628 T HA -0.137 4.216 4.350 0.005 0.000 0.261 628 T C 1.867 176.506 174.700 -0.101 0.000 1.040 628 T CA 1.955 64.012 62.100 -0.073 0.000 1.145 628 T CB -0.420 68.399 68.868 -0.083 0.000 0.866 628 T HN 0.353 nan 8.240 nan 0.000 0.427 629 T N 2.152 116.646 114.554 -0.100 0.000 2.833 629 T HA 0.027 4.380 4.350 0.005 0.000 0.269 629 T C 2.400 177.033 174.700 -0.111 0.000 1.054 629 T CA 0.988 63.012 62.100 -0.127 0.000 1.135 629 T CB -0.514 68.292 68.868 -0.103 0.000 0.869 629 T HN 0.411 nan 8.240 nan 0.000 0.466 630 A N 2.042 124.817 122.820 -0.075 0.000 1.908 630 A HA -0.130 4.193 4.320 0.005 0.000 0.218 630 A C 2.613 180.169 177.584 -0.047 0.000 1.181 630 A CA 2.192 54.190 52.037 -0.065 0.000 0.627 630 A CB -0.951 18.012 19.000 -0.062 0.000 0.818 630 A HN 0.610 nan 8.150 nan 0.000 0.445 631 S N 0.128 115.813 115.700 -0.025 0.000 2.368 631 S HA -0.100 4.372 4.470 0.005 0.000 0.224 631 S C 1.929 176.503 174.600 -0.045 0.000 1.029 631 S CA 1.390 59.593 58.200 0.005 0.000 0.988 631 S CB -0.802 62.374 63.200 -0.041 0.000 0.838 631 S HN 0.467 nan 8.310 nan 0.000 0.462 632 L N 0.847 121.980 121.223 -0.149 0.000 2.017 632 L HA -0.074 4.269 4.340 0.005 0.000 0.208 632 L C 3.163 179.947 176.870 -0.144 0.000 1.073 632 L CA 1.661 56.328 54.840 -0.289 0.000 0.745 632 L CB -0.624 41.063 42.059 -0.619 0.000 0.894 632 L HN 0.288 nan 8.230 nan 0.000 0.432 633 R N 0.146 120.578 120.500 -0.114 0.000 2.105 633 R HA -0.156 4.187 4.340 0.005 0.000 0.239 633 R C 2.457 178.758 176.300 0.002 0.000 1.135 633 R CA 1.365 57.435 56.100 -0.050 0.000 0.967 633 R CB -0.516 29.751 30.300 -0.056 0.000 0.861 633 R HN 0.388 nan 8.270 nan 0.000 0.442 634 A N 0.511 123.337 122.820 0.011 0.000 1.933 634 A HA -0.099 4.224 4.320 0.005 0.000 0.218 634 A C 2.316 179.955 177.584 0.093 0.000 1.175 634 A CA 1.261 53.330 52.037 0.054 0.000 0.628 634 A CB -0.377 18.672 19.000 0.082 0.000 0.814 634 A HN 0.118 nan 8.150 nan 0.000 0.444 635 V N -0.433 119.548 119.914 0.113 0.000 2.307 635 V HA -0.220 3.903 4.120 0.005 0.000 0.245 635 V C 2.567 178.717 176.094 0.094 0.000 1.045 635 V CA 1.929 64.308 62.300 0.132 0.000 1.024 635 V CB -0.789 31.187 31.823 0.256 0.000 0.651 635 V HN 0.367 nan 8.190 nan 0.000 0.449 636 V N -0.235 119.761 119.914 0.137 0.000 2.332 636 V HA -0.283 3.840 4.120 0.005 0.000 0.248 636 V C 2.698 178.781 176.094 -0.018 0.000 1.055 636 V CA 2.435 64.760 62.300 0.042 0.000 1.038 636 V CB -0.753 31.109 31.823 0.066 0.000 0.651 636 V HN 0.629 nan 8.190 nan 0.000 0.450 637 S N -0.259 115.453 115.700 0.020 0.000 2.370 637 S HA -0.215 4.258 4.470 0.005 0.000 0.226 637 S C 2.134 176.760 174.600 0.044 0.000 1.033 637 S CA 1.756 59.974 58.200 0.029 0.000 1.011 637 S CB -0.352 62.891 63.200 0.071 0.000 0.852 637 S HN 0.626 nan 8.310 nan 0.000 0.457 638 A N 0.820 123.679 122.820 0.065 0.000 1.877 638 A HA -0.010 4.313 4.320 0.005 0.000 0.216 638 A C 2.365 179.948 177.584 -0.003 0.000 1.186 638 A CA 1.824 53.900 52.037 0.065 0.000 0.620 638 A CB -1.153 17.880 19.000 0.054 0.000 0.822 638 A HN 0.455 nan 8.150 nan 0.000 0.443 639 V N 1.132 121.007 119.914 -0.065 0.000 2.287 639 V HA -0.293 3.830 4.120 0.005 0.000 0.248 639 V C 2.281 178.305 176.094 -0.117 0.000 1.053 639 V CA 2.271 64.487 62.300 -0.139 0.000 1.027 639 V CB -0.969 30.637 31.823 -0.362 0.000 0.646 639 V HN 0.568 nan 8.190 nan 0.000 0.447 640 N N -0.242 118.387 118.700 -0.119 0.000 2.244 640 N HA -0.093 4.650 4.740 0.005 0.000 0.183 640 N C 1.937 177.401 175.510 -0.076 0.000 1.016 640 N CA 0.847 53.840 53.050 -0.095 0.000 0.866 640 N CB -0.367 38.063 38.487 -0.096 0.000 0.980 640 N HN 0.365 nan 8.380 nan 0.000 0.430 641 R N 0.937 121.396 120.500 -0.069 0.000 2.096 641 R HA 0.048 4.390 4.340 0.005 0.000 0.235 641 R C 1.867 178.147 176.300 -0.033 0.000 1.127 641 R CA 0.936 56.987 56.100 -0.081 0.000 0.968 641 R CB -0.549 29.721 30.300 -0.050 0.000 0.861 641 R HN 0.199 nan 8.270 nan 0.000 0.440 642 A N 0.636 123.453 122.820 -0.006 0.000 2.067 642 A HA -0.013 4.310 4.320 0.005 0.000 0.219 642 A C 2.066 179.660 177.584 0.017 0.000 1.158 642 A CA 1.516 53.562 52.037 0.016 0.000 0.661 642 A CB -0.210 18.808 19.000 0.029 0.000 0.801 642 A HN 0.332 nan 8.150 nan 0.000 0.452 643 A N -0.934 121.890 122.820 0.007 0.000 2.251 643 A HA 0.215 4.538 4.320 0.005 0.000 0.209 643 A C 1.433 179.015 177.584 -0.003 0.000 1.187 643 A CA -0.225 51.822 52.037 0.016 0.000 0.823 643 A CB -0.071 18.946 19.000 0.028 0.000 0.846 643 A HN 0.469 nan 8.150 nan 0.000 0.486 644 R N 0.000 120.487 120.500 -0.022 0.000 2.786 644 R HA 0.000 4.343 4.340 0.005 0.000 0.208 644 R CA 0.000 56.079 56.100 -0.035 0.000 0.921 644 R CB 0.000 30.257 30.300 -0.071 0.000 0.687 644 R HN 0.000 nan 8.270 nan 0.000 0.535