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 3fig_1_B DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSMPVNRYR PFAEEVEPIR 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 AXXXXXXXXX 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 0.000 174.699 174.700 -0.001 0.000 1.109 18 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 18 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 19 I N 2.831 123.400 120.570 -0.002 0.000 2.352 19 I HA 0.585 4.757 4.170 0.002 0.000 0.290 19 I C 0.668 176.785 176.117 -0.001 0.000 1.036 19 I CA -0.219 61.080 61.300 -0.002 0.000 1.336 19 I CB 0.395 38.393 38.000 -0.003 0.000 1.407 19 I HN 0.658 nan 8.210 nan 0.000 0.497 20 V N 6.915 126.829 119.914 0.000 0.000 2.459 20 V HA 0.376 4.497 4.120 0.002 0.000 0.295 20 V C 0.423 176.517 176.094 0.001 0.000 1.029 20 V CA -1.163 61.137 62.300 0.001 0.000 0.874 20 V CB 1.414 33.237 31.823 0.001 0.000 0.985 20 V HN 0.651 nan 8.190 nan 0.000 0.438 21 K N 5.321 125.722 120.400 0.001 0.000 2.472 21 K HA 0.262 4.583 4.320 0.002 0.000 0.280 21 K C -2.147 174.454 176.600 0.002 0.000 1.028 21 K CA -1.055 55.233 56.287 0.001 0.000 1.045 21 K CB 0.292 32.793 32.500 0.001 0.000 0.902 21 K HN 0.679 nan 8.250 nan 0.000 0.478 22 P HA -0.098 nan 4.420 nan 0.000 0.263 22 P C -0.890 176.411 177.300 0.001 0.000 1.175 22 P CA 0.364 63.466 63.100 0.002 0.000 0.761 22 P CB 0.806 32.507 31.700 0.003 0.000 0.794 23 A N 2.626 125.446 122.820 0.001 0.000 2.622 23 A HA 0.473 4.794 4.320 0.002 0.000 0.283 23 A C 0.849 178.432 177.584 -0.002 0.000 0.998 23 A CA 0.190 52.227 52.037 -0.001 0.000 0.985 23 A CB -0.137 18.863 19.000 -0.001 0.000 1.236 23 A HN 0.596 nan 8.150 nan 0.000 0.559 24 G N 1.128 109.927 108.800 -0.002 0.000 2.599 24 G HA2 0.495 4.456 3.960 0.002 0.000 0.264 24 G HA3 0.495 4.456 3.960 0.002 0.000 0.264 24 G C -2.322 172.573 174.900 -0.008 0.000 1.200 24 G CA -1.255 43.842 45.100 -0.004 0.000 0.896 24 G HN 0.158 nan 8.290 nan 0.000 0.536 25 P HA 0.148 nan 4.420 nan 0.000 0.268 25 P C -2.501 174.787 177.300 -0.019 0.000 1.208 25 P CA -0.791 62.300 63.100 -0.015 0.000 0.777 25 P CB 0.138 31.830 31.700 -0.014 0.000 0.875 26 P HA 0.215 nan 4.420 nan 0.000 0.272 26 P C 0.195 177.473 177.300 -0.037 0.000 1.240 26 P CA -0.207 62.870 63.100 -0.038 0.000 0.791 26 P CB 0.459 32.126 31.700 -0.055 0.000 0.978 27 R N 0.008 120.484 120.500 -0.040 0.000 2.811 27 R HA 0.160 4.501 4.340 0.002 0.000 0.265 27 R C -0.268 176.005 176.300 -0.045 0.000 1.026 27 R CA -0.521 55.557 56.100 -0.036 0.000 1.142 27 R CB -0.180 30.099 30.300 -0.035 0.000 1.027 27 R HN 0.237 nan 8.270 nan 0.000 0.465 28 V N 2.139 122.032 119.914 -0.035 0.000 2.479 28 V HA 0.202 4.324 4.120 0.002 0.000 0.281 28 V C 1.306 177.374 176.094 -0.044 0.000 1.031 28 V CA 1.589 63.868 62.300 -0.036 0.000 1.038 28 V CB 0.586 32.394 31.823 -0.025 0.000 0.981 28 V HN 1.117 nan 8.190 nan 0.000 0.478 29 G N 3.768 112.534 108.800 -0.057 0.000 2.176 29 G HA2 -0.233 3.728 3.960 0.002 0.000 0.232 29 G HA3 -0.233 3.728 3.960 0.002 0.000 0.232 29 G C 0.235 175.071 174.900 -0.105 0.000 0.986 29 G CA 0.218 45.279 45.100 -0.066 0.000 0.643 29 G HN 0.758 nan 8.290 nan 0.000 0.522 30 Q N 1.692 121.419 119.800 -0.123 0.000 2.297 30 Q HA 0.459 4.800 4.340 0.002 0.000 0.267 30 Q C -1.633 174.193 176.000 -0.290 0.000 1.006 30 Q CA -1.316 54.377 55.803 -0.184 0.000 0.896 30 Q CB 0.878 29.529 28.738 -0.144 0.000 1.186 30 Q HN 0.325 nan 8.270 nan 0.000 0.392 31 P HA 0.017 nan 4.420 nan 0.000 0.272 31 P C -0.328 176.568 177.300 -0.673 0.000 1.223 31 P CA -0.102 62.564 63.100 -0.723 0.000 0.784 31 P CB 1.122 31.992 31.700 -1.383 0.000 0.923 32 S N 0.623 116.033 115.700 -0.483 0.000 2.481 32 S HA -0.040 4.432 4.470 0.002 0.000 0.231 32 S C 1.288 175.799 174.600 -0.148 0.000 0.996 32 S CA 0.393 58.448 58.200 -0.241 0.000 0.942 32 S CB -0.438 62.703 63.200 -0.099 0.000 0.768 32 S HN 0.671 nan 8.310 nan 0.000 0.520 33 W N 1.062 122.364 121.300 0.004 0.000 3.180 33 W HA 0.338 5.000 4.660 0.003 0.000 0.254 33 W C 0.169 176.690 176.519 0.004 0.000 1.318 33 W CA -0.517 56.830 57.345 0.004 0.000 1.608 33 W CB -0.569 28.894 29.460 0.004 0.000 1.124 33 W HN 0.169 nan 8.180 nan 0.000 0.694 34 N N 2.716 121.376 118.700 -0.066 0.000 2.609 34 N HA 0.209 4.950 4.740 0.002 0.000 0.234 34 N C -2.172 173.311 175.510 -0.044 0.000 1.001 34 N CA -2.328 50.717 53.050 -0.008 0.000 0.926 34 N CB 1.312 39.708 38.487 -0.152 0.000 1.130 34 N HN -0.238 nan 8.380 nan 0.000 0.510 35 P HA 0.059 nan 4.420 nan 0.000 0.253 35 P C -0.215 177.085 177.300 -0.000 0.000 1.260 35 P CA 0.266 63.368 63.100 0.003 0.000 0.800 35 P CB 0.168 31.882 31.700 0.024 0.000 1.162 36 Q N 0.566 120.367 119.800 0.001 0.000 2.432 36 Q HA 0.158 4.499 4.340 0.002 0.000 0.264 36 Q C 0.307 176.301 176.000 -0.010 0.000 1.035 36 Q CA 0.217 56.021 55.803 0.001 0.000 0.908 36 Q CB 0.535 29.278 28.738 0.008 0.000 1.280 36 Q HN 0.043 nan 8.270 nan 0.000 0.455 37 R N 0.293 120.790 120.500 -0.005 0.000 2.711 37 R HA 0.513 4.854 4.340 0.002 0.000 0.284 37 R C -0.884 175.414 176.300 -0.004 0.000 0.968 37 R CA -0.879 55.216 56.100 -0.007 0.000 0.924 37 R CB 1.568 31.866 30.300 -0.003 0.000 1.162 37 R HN 0.739 nan 8.270 nan 0.000 0.465 38 A N 1.766 124.583 122.820 -0.005 0.000 2.546 38 A HA 0.160 4.482 4.320 0.002 0.000 0.243 38 A C 0.716 178.301 177.584 0.003 0.000 1.063 38 A CA 0.121 52.157 52.037 -0.001 0.000 0.757 38 A CB -0.093 18.907 19.000 -0.001 0.000 0.991 38 A HN 0.771 nan 8.150 nan 0.000 0.503 39 S N 1.624 117.328 115.700 0.006 0.000 2.645 39 S HA 0.403 4.875 4.470 0.002 0.000 0.266 39 S C 0.836 175.442 174.600 0.011 0.000 1.258 39 S CA 0.048 58.252 58.200 0.008 0.000 0.990 39 S CB 1.131 64.336 63.200 0.009 0.000 0.967 39 S HN 1.566 nan 8.310 nan 0.000 0.556 40 S N 0.579 116.287 115.700 0.012 0.000 2.622 40 S HA 0.279 4.750 4.470 0.002 0.000 0.236 40 S C 0.473 175.087 174.600 0.024 0.000 0.956 40 S CA -0.642 57.568 58.200 0.016 0.000 0.971 40 S CB -0.753 62.454 63.200 0.012 0.000 0.782 40 S HN 0.666 nan 8.310 nan 0.000 0.468 41 M N 3.180 122.797 119.600 0.028 0.000 2.239 41 M HA 0.204 4.686 4.480 0.002 0.000 0.348 41 M C -2.239 174.102 176.300 0.068 0.000 1.239 41 M CA -1.328 53.998 55.300 0.043 0.000 1.114 41 M CB 0.063 32.683 32.600 0.033 0.000 1.641 41 M HN 0.013 nan 8.290 nan 0.000 0.453 42 P HA 0.071 nan 4.420 nan 0.000 0.230 42 P C 0.947 178.350 177.300 0.171 0.000 1.791 42 P CA -0.151 63.010 63.100 0.102 0.000 1.020 42 P CB -0.706 31.044 31.700 0.084 0.000 1.977 43 V N -0.184 119.821 119.914 0.152 0.000 2.688 43 V HA -0.277 3.845 4.120 0.002 0.000 0.256 43 V C 1.937 178.117 176.094 0.143 0.000 1.084 43 V CA 1.850 64.270 62.300 0.200 0.000 1.103 43 V CB -1.437 30.453 31.823 0.112 0.000 0.688 43 V HN 0.305 nan 8.190 nan 0.000 0.480 44 N N 2.060 120.791 118.700 0.052 0.000 2.364 44 N HA -0.224 4.518 4.740 0.002 0.000 0.183 44 N C 1.741 177.194 175.510 -0.095 0.000 1.022 44 N CA 1.562 54.606 53.050 -0.009 0.000 0.883 44 N CB -0.549 37.927 38.487 -0.017 0.000 0.965 44 N HN 0.584 nan 8.380 nan 0.000 0.438 45 R N -0.686 119.688 120.500 -0.209 0.000 2.313 45 R HA 0.113 4.454 4.340 0.002 0.000 0.199 45 R C -0.180 175.587 176.300 -0.889 0.000 0.958 45 R CA 0.353 56.126 56.100 -0.544 0.000 1.047 45 R CB -0.057 29.833 30.300 -0.684 0.000 0.955 45 R HN 0.303 nan 8.270 nan 0.000 0.481 46 Y N -0.136 120.167 120.300 0.005 0.000 2.477 46 Y HA 0.454 5.005 4.550 0.003 0.000 0.347 46 Y C 0.093 176.000 175.900 0.010 0.000 0.981 46 Y CA -1.247 56.859 58.100 0.011 0.000 1.033 46 Y CB 1.612 40.082 38.460 0.017 0.000 1.245 46 Y HN -0.274 nan 8.280 nan 0.000 0.455 47 R N 1.703 122.279 120.500 0.126 0.000 2.803 47 R HA 0.551 4.893 4.340 0.002 0.000 0.276 47 R C -2.813 173.545 176.300 0.096 0.000 0.978 47 R CA -2.148 53.997 56.100 0.075 0.000 0.939 47 R CB 1.066 31.378 30.300 0.020 0.000 1.179 47 R HN 0.370 nan 8.270 nan 0.000 0.472 48 P HA -0.110 nan 4.420 nan 0.000 0.264 48 P C 0.115 177.483 177.300 0.115 0.000 1.179 48 P CA 0.138 63.300 63.100 0.102 0.000 0.763 48 P CB 0.318 32.062 31.700 0.073 0.000 0.806 49 F N 3.562 123.529 119.950 0.028 0.000 2.120 49 F HA -0.269 4.259 4.527 0.003 0.000 0.300 49 F C 2.075 177.878 175.800 0.006 0.000 1.095 49 F CA 2.108 60.120 58.000 0.020 0.000 1.249 49 F CB -0.659 38.353 39.000 0.021 0.000 0.995 49 F HN 0.360 nan 8.300 nan 0.000 0.480 50 A N -0.262 122.562 122.820 0.007 0.000 1.986 50 A HA -0.233 4.088 4.320 0.002 0.000 0.220 50 A C 2.071 179.560 177.584 -0.157 0.000 1.171 50 A CA 2.138 54.121 52.037 -0.089 0.000 0.640 50 A CB -0.766 18.258 19.000 0.041 0.000 0.811 50 A HN 0.634 nan 8.150 nan 0.000 0.451 51 E N -1.478 118.654 120.200 -0.114 0.000 2.216 51 E HA -0.056 4.296 4.350 0.002 0.000 0.192 51 E C 1.962 178.477 176.600 -0.141 0.000 0.973 51 E CA 0.643 56.980 56.400 -0.104 0.000 0.851 51 E CB 0.010 29.680 29.700 -0.051 0.000 0.804 51 E HN 0.656 nan 8.360 nan 0.000 0.477 52 E N 0.369 120.469 120.200 -0.166 0.000 2.077 52 E HA -0.147 4.204 4.350 0.002 0.000 0.193 52 E C 1.437 177.878 176.600 -0.265 0.000 0.989 52 E CA 1.371 57.669 56.400 -0.171 0.000 0.800 52 E CB 0.269 29.904 29.700 -0.108 0.000 0.746 52 E HN 0.052 nan 8.360 nan 0.000 0.452 53 V N -0.795 118.824 119.914 -0.491 0.000 3.430 53 V HA 0.254 4.376 4.120 0.002 0.000 0.211 53 V C 0.049 175.922 176.094 -0.368 0.000 1.173 53 V CA 0.556 62.556 62.300 -0.500 0.000 1.310 53 V CB 0.071 31.450 31.823 -0.741 0.000 1.361 53 V HN 0.418 nan 8.190 nan 0.000 0.512 54 E N -0.056 119.897 120.200 -0.411 0.000 2.389 54 E HA 0.339 4.691 4.350 0.002 0.000 0.281 54 E C -3.300 173.204 176.600 -0.160 0.000 1.072 54 E CA -1.817 54.452 56.400 -0.218 0.000 0.845 54 E CB 1.630 31.226 29.700 -0.174 0.000 1.239 54 E HN 0.163 nan 8.360 nan 0.000 0.434 55 P HA 0.183 nan 4.420 nan 0.000 0.271 55 P C -0.685 176.614 177.300 -0.002 0.000 1.226 55 P CA 0.097 63.195 63.100 -0.002 0.000 0.765 55 P CB 0.333 32.028 31.700 -0.008 0.000 0.835 56 I N 2.314 122.922 120.570 0.064 0.000 2.347 56 I HA 0.359 4.531 4.170 0.002 0.000 0.283 56 I C 1.156 177.304 176.117 0.052 0.000 1.058 56 I CA -0.550 60.764 61.300 0.024 0.000 1.202 56 I CB 0.606 38.648 38.000 0.069 0.000 1.386 56 I HN 0.221 nan 8.210 nan 0.000 0.475 57 R N 5.782 126.297 120.500 0.025 0.000 2.234 57 R HA 0.608 4.950 4.340 0.002 0.000 0.324 57 R C -0.791 175.569 176.300 0.100 0.000 1.054 57 R CA -0.310 55.826 56.100 0.061 0.000 0.912 57 R CB 0.765 31.094 30.300 0.048 0.000 1.030 57 R HN 0.597 nan 8.270 nan 0.000 0.455 58 L N 2.738 124.036 121.223 0.125 0.000 2.669 58 L HA 0.332 4.674 4.340 0.002 0.000 0.273 58 L C 1.778 178.711 176.870 0.105 0.000 1.441 58 L CA 0.326 55.260 54.840 0.156 0.000 0.745 58 L CB 1.180 43.379 42.059 0.232 0.000 1.044 58 L HN 0.860 nan 8.230 nan 0.000 0.523 59 R N 0.492 121.037 120.500 0.075 0.000 2.159 59 R HA -0.142 4.199 4.340 0.002 0.000 0.237 59 R C 0.995 177.303 176.300 0.013 0.000 1.131 59 R CA 1.916 58.039 56.100 0.038 0.000 0.982 59 R CB -1.429 28.891 30.300 0.034 0.000 0.868 59 R HN 0.820 nan 8.270 nan 0.000 0.453 60 N N 0.988 119.706 118.700 0.029 0.000 2.322 60 N HA -0.042 4.699 4.740 0.002 0.000 0.216 60 N C 0.004 175.514 175.510 -0.000 0.000 1.144 60 N CA -0.078 52.977 53.050 0.009 0.000 0.830 60 N CB -0.520 37.980 38.487 0.022 0.000 1.034 60 N HN 0.749 nan 8.380 nan 0.000 0.484 61 R N -0.538 119.960 120.500 -0.004 0.000 2.644 61 R HA -0.016 4.325 4.340 0.002 0.000 0.265 61 R C 0.182 176.400 176.300 -0.138 0.000 0.985 61 R CA 1.050 57.127 56.100 -0.039 0.000 1.097 61 R CB -0.414 29.803 30.300 -0.139 0.000 0.931 61 R HN 0.273 nan 8.270 nan 0.000 0.419 62 T N -2.099 112.397 114.554 -0.096 0.000 2.959 62 T HA -0.006 4.346 4.350 0.002 0.000 0.254 62 T C 1.516 176.137 174.700 -0.132 0.000 1.003 62 T CA -0.249 61.783 62.100 -0.113 0.000 0.950 62 T CB -0.145 68.707 68.868 -0.027 0.000 1.090 62 T HN 0.832 nan 8.240 nan 0.000 0.503 63 W N 2.531 123.832 121.300 0.001 0.000 2.350 63 W HA 0.053 4.713 4.660 0.000 0.000 0.289 63 W C -1.867 174.651 176.519 -0.000 0.000 1.215 63 W CA 0.840 58.181 57.345 -0.006 0.000 1.236 63 W CB -2.165 27.299 29.460 0.006 0.000 1.130 63 W HN 0.308 nan 8.180 nan 0.000 0.541 64 P HA -0.045 nan 4.420 nan 0.000 0.230 64 P C 0.594 177.765 177.300 -0.214 0.000 1.158 64 P CA 1.555 64.281 63.100 -0.624 0.000 0.769 64 P CB -0.207 30.987 31.700 -0.844 0.000 0.807 65 D N -1.276 119.022 120.400 -0.169 0.000 2.402 65 D HA 0.074 4.715 4.640 0.002 0.000 0.216 65 D C 0.453 176.730 176.300 -0.038 0.000 1.128 65 D CA 0.098 54.044 54.000 -0.091 0.000 0.833 65 D CB 0.487 41.229 40.800 -0.097 0.000 0.971 65 D HN 0.150 nan 8.370 nan 0.000 0.503 66 R N 1.182 121.682 120.500 -0.000 0.000 2.343 66 R HA 0.407 4.749 4.340 0.002 0.000 0.320 66 R C -1.121 175.191 176.300 0.021 0.000 0.956 66 R CA -0.428 55.676 56.100 0.006 0.000 0.836 66 R CB 1.491 31.792 30.300 0.002 0.000 1.151 66 R HN -0.253 nan 8.270 nan 0.000 0.450 67 V N 6.709 126.623 119.914 0.001 0.000 2.383 67 V HA 0.269 4.390 4.120 0.002 0.000 0.275 67 V C 0.727 176.809 176.094 -0.021 0.000 1.036 67 V CA -0.703 61.602 62.300 0.010 0.000 0.889 67 V CB 1.330 33.160 31.823 0.013 0.000 0.985 67 V HN 0.729 nan 8.190 nan 0.000 0.459 68 I N 5.291 125.851 120.570 -0.017 0.000 2.775 68 I HA 0.027 4.199 4.170 0.002 0.000 0.290 68 I C 0.788 176.907 176.117 0.004 0.000 1.203 68 I CA 0.635 61.904 61.300 -0.052 0.000 1.433 68 I CB 0.462 38.499 38.000 0.061 0.000 1.354 68 I HN 0.873 nan 8.210 nan 0.000 0.579 69 D N 3.005 123.401 120.400 -0.007 0.000 2.538 69 D HA 0.085 4.727 4.640 0.002 0.000 0.241 69 D C -0.185 176.144 176.300 0.047 0.000 1.297 69 D CA -0.307 53.706 54.000 0.023 0.000 0.804 69 D CB 0.483 41.283 40.800 -0.000 0.000 1.122 69 D HN 0.309 nan 8.370 nan 0.000 0.519 70 R N -0.954 119.596 120.500 0.085 0.000 2.668 70 R HA 0.899 5.241 4.340 0.002 0.000 0.272 70 R C -0.174 176.228 176.300 0.171 0.000 1.019 70 R CA -0.580 55.583 56.100 0.105 0.000 0.894 70 R CB -0.209 30.134 30.300 0.072 0.000 1.228 70 R HN 0.238 nan 8.270 nan 0.000 0.460 71 A N 3.231 126.096 122.820 0.075 0.000 2.561 71 A HA 0.439 4.760 4.320 0.002 0.000 0.234 71 A C -1.532 175.851 177.584 -0.335 0.000 1.055 71 A CA -0.592 51.386 52.037 -0.099 0.000 0.756 71 A CB -0.476 18.513 19.000 -0.018 0.000 0.986 71 A HN 0.784 nan 8.150 nan 0.000 0.505 72 P HA 0.250 nan 4.420 nan 0.000 0.275 72 P C -0.403 176.373 177.300 -0.872 0.000 1.266 72 P CA -0.592 61.843 63.100 -1.110 0.000 0.793 72 P CB 0.476 31.126 31.700 -1.750 0.000 1.074 73 L N 1.294 122.214 121.223 -0.505 0.000 2.418 73 L HA 0.221 4.562 4.340 0.002 0.000 0.274 73 L C -0.800 175.914 176.870 -0.260 0.000 1.135 73 L CA -0.070 54.589 54.840 -0.302 0.000 0.870 73 L CB -0.782 41.194 42.059 -0.139 0.000 1.154 73 L HN 0.261 nan 8.230 nan 0.000 0.462 74 W N 4.845 126.131 121.300 -0.022 0.000 2.438 74 W HA 0.562 5.222 4.660 0.000 0.000 0.324 74 W C -0.418 176.132 176.519 0.051 0.000 1.119 74 W CA -0.658 56.711 57.345 0.040 0.000 1.221 74 W CB 1.542 31.127 29.460 0.209 0.000 1.253 74 W HN 0.637 nan 8.180 nan 0.000 0.555 75 C N 3.582 123.036 119.300 0.257 0.000 2.381 75 C HA 0.815 5.277 4.460 0.002 0.000 0.328 75 C C 0.069 175.029 174.990 -0.050 0.000 1.190 75 C CA -0.588 58.481 59.018 0.086 0.000 1.369 75 C CB -0.837 26.919 27.740 0.027 0.000 2.029 75 C HN 0.714 nan 8.230 nan 0.000 0.448 76 A N 4.614 127.316 122.820 -0.197 0.000 2.309 76 A HA 0.516 4.838 4.320 0.002 0.000 0.290 76 A C 0.690 178.187 177.584 -0.145 0.000 1.206 76 A CA 0.105 51.941 52.037 -0.336 0.000 0.850 76 A CB 0.420 19.025 19.000 -0.659 0.000 1.118 76 A HN 1.926 nan 8.150 nan 0.000 0.523 77 V N 0.156 120.001 119.914 -0.114 0.000 3.271 77 V HA 0.160 4.281 4.120 0.002 0.000 0.327 77 V C 0.611 176.692 176.094 -0.021 0.000 1.389 77 V CA 0.643 62.928 62.300 -0.026 0.000 1.156 77 V CB -0.691 31.151 31.823 0.032 0.000 1.103 77 V HN 0.667 nan 8.190 nan 0.000 0.453 78 D N 1.620 121.983 120.400 -0.062 0.000 2.190 78 D HA -0.167 4.474 4.640 0.002 0.000 0.200 78 D C 1.784 178.074 176.300 -0.017 0.000 0.992 78 D CA 1.913 55.886 54.000 -0.045 0.000 0.854 78 D CB -0.194 40.563 40.800 -0.071 0.000 0.936 78 D HN 0.510 nan 8.370 nan 0.000 0.462 79 L N -0.601 120.624 121.223 0.003 0.000 2.509 79 L HA 0.100 4.442 4.340 0.002 0.000 0.222 79 L C 2.214 179.096 176.870 0.020 0.000 1.123 79 L CA 0.183 55.020 54.840 -0.004 0.000 0.856 79 L CB 0.132 42.219 42.059 0.046 0.000 0.985 79 L HN -0.025 nan 8.230 nan 0.000 0.456 80 R N -0.337 120.192 120.500 0.049 0.000 2.171 80 R HA 0.004 4.345 4.340 0.002 0.000 0.171 80 R C 1.464 177.810 176.300 0.075 0.000 1.662 80 R CA 0.547 56.693 56.100 0.076 0.000 1.323 80 R CB -0.581 29.765 30.300 0.077 0.000 1.180 80 R HN -0.034 nan 8.270 nan 0.000 0.474 81 D N 0.120 120.566 120.400 0.076 0.000 2.133 81 D HA -0.108 4.533 4.640 0.002 0.000 0.195 81 D C 1.529 177.878 176.300 0.081 0.000 0.997 81 D CA 1.782 55.843 54.000 0.102 0.000 0.840 81 D CB -0.299 40.600 40.800 0.166 0.000 0.947 81 D HN 0.523 nan 8.370 nan 0.000 0.452 82 G N -0.192 108.636 108.800 0.046 0.000 2.396 82 G HA2 -0.262 3.700 3.960 0.002 0.000 0.214 82 G HA3 -0.262 3.700 3.960 0.002 0.000 0.214 82 G C 1.713 176.625 174.900 0.021 0.000 1.166 82 G CA 0.671 45.789 45.100 0.030 0.000 0.793 82 G HN 0.251 nan 8.290 nan 0.000 0.533 83 N N 0.536 119.243 118.700 0.012 0.000 2.043 83 N HA -0.147 4.594 4.740 0.002 0.000 0.193 83 N C 2.220 177.743 175.510 0.021 0.000 1.037 83 N CA 1.677 54.727 53.050 -0.000 0.000 0.851 83 N CB -0.403 38.075 38.487 -0.014 0.000 1.027 83 N HN 0.363 nan 8.380 nan 0.000 0.422 84 Q N -1.082 118.750 119.800 0.053 0.000 2.290 84 Q HA -0.155 4.187 4.340 0.002 0.000 0.211 84 Q C 1.051 177.078 176.000 0.046 0.000 0.991 84 Q CA 1.785 57.628 55.803 0.068 0.000 0.893 84 Q CB -0.202 28.592 28.738 0.093 0.000 0.913 84 Q HN 0.542 nan 8.270 nan 0.000 0.428 85 A N -0.869 121.974 122.820 0.039 0.000 2.348 85 A HA 0.234 4.555 4.320 0.002 0.000 0.224 85 A C 0.285 177.880 177.584 0.019 0.000 1.227 85 A CA -0.237 51.821 52.037 0.034 0.000 0.885 85 A CB 0.363 19.392 19.000 0.048 0.000 0.933 85 A HN 0.172 nan 8.150 nan 0.000 0.506 86 L N -0.087 121.142 121.223 0.009 0.000 2.357 86 L HA 0.315 4.656 4.340 0.002 0.000 0.273 86 L C 1.200 178.067 176.870 -0.005 0.000 1.080 86 L CA -0.509 54.328 54.840 -0.004 0.000 0.803 86 L CB 1.151 43.198 42.059 -0.021 0.000 1.174 86 L HN 0.251 nan 8.230 nan 0.000 0.443 87 I N 0.229 120.794 120.570 -0.007 0.000 2.127 87 I HA -0.194 3.977 4.170 0.002 0.000 0.241 87 I C 0.277 176.386 176.117 -0.013 0.000 1.075 87 I CA 1.425 62.721 61.300 -0.008 0.000 1.334 87 I CB -0.078 37.917 38.000 -0.007 0.000 1.040 87 I HN 0.596 nan 8.210 nan 0.000 0.405 88 D N 1.650 122.036 120.400 -0.023 0.000 2.414 88 D HA 0.304 4.946 4.640 0.002 0.000 0.232 88 D C -2.316 173.959 176.300 -0.042 0.000 1.070 88 D CA -1.374 52.608 54.000 -0.030 0.000 0.839 88 D CB 1.074 41.853 40.800 -0.034 0.000 1.079 88 D HN -0.030 nan 8.370 nan 0.000 0.521 89 P HA 0.080 nan 4.420 nan 0.000 0.269 89 P C 0.312 177.571 177.300 -0.069 0.000 1.215 89 P CA -0.273 62.802 63.100 -0.043 0.000 0.780 89 P CB 0.678 32.363 31.700 -0.024 0.000 0.898 90 M N 1.261 120.803 119.600 -0.096 0.000 2.269 90 M HA 0.029 4.511 4.480 0.002 0.000 0.350 90 M C 0.952 177.185 176.300 -0.112 0.000 1.429 90 M CA 0.352 55.570 55.300 -0.136 0.000 1.063 90 M CB -0.137 32.358 32.600 -0.175 0.000 1.841 90 M HN 0.427 nan 8.290 nan 0.000 0.455 91 S N 4.169 119.810 115.700 -0.099 0.000 2.580 91 S HA 0.137 4.608 4.470 0.002 0.000 0.266 91 S C -1.868 172.700 174.600 -0.053 0.000 1.354 91 S CA -1.113 57.055 58.200 -0.053 0.000 1.008 91 S CB 0.093 63.274 63.200 -0.031 0.000 0.898 91 S HN 0.492 nan 8.310 nan 0.000 0.555 92 P HA -0.068 nan 4.420 nan 0.000 0.217 92 P C 1.471 178.800 177.300 0.048 0.000 1.148 92 P CA 1.827 64.945 63.100 0.029 0.000 0.828 92 P CB -0.302 31.447 31.700 0.081 0.000 0.783 93 A N -0.133 122.725 122.820 0.063 0.000 1.898 93 A HA -0.172 4.150 4.320 0.002 0.000 0.216 93 A C 2.271 179.934 177.584 0.131 0.000 1.181 93 A CA 1.304 53.411 52.037 0.117 0.000 0.620 93 A CB -0.868 18.223 19.000 0.152 0.000 0.819 93 A HN 0.088 nan 8.150 nan 0.000 0.442 94 R N -0.530 119.976 120.500 0.011 0.000 2.073 94 R HA -0.074 4.267 4.340 0.002 0.000 0.229 94 R C 2.413 178.650 176.300 -0.105 0.000 1.120 94 R CA 1.302 57.332 56.100 -0.118 0.000 0.967 94 R CB -0.331 29.742 30.300 -0.377 0.000 0.862 94 R HN 0.347 nan 8.270 nan 0.000 0.436 95 K N 0.630 120.908 120.400 -0.203 0.000 2.034 95 K HA -0.229 4.093 4.320 0.002 0.000 0.214 95 K C 2.079 178.569 176.600 -0.184 0.000 1.051 95 K CA 2.018 58.048 56.287 -0.428 0.000 0.931 95 K CB -0.430 31.491 32.500 -0.966 0.000 0.715 95 K HN 0.147 nan 8.250 nan 0.000 0.446 96 R N 0.613 121.152 120.500 0.064 0.000 2.092 96 R HA 0.018 4.360 4.340 0.002 0.000 0.231 96 R C 2.238 178.712 176.300 0.291 0.000 1.119 96 R CA 1.885 58.181 56.100 0.328 0.000 0.970 96 R CB -0.578 29.898 30.300 0.293 0.000 0.864 96 R HN 0.212 nan 8.270 nan 0.000 0.440 97 R N -0.323 120.308 120.500 0.217 0.000 2.096 97 R HA -0.050 4.292 4.340 0.002 0.000 0.235 97 R C 2.000 178.404 176.300 0.174 0.000 1.127 97 R CA 1.843 58.069 56.100 0.210 0.000 0.968 97 R CB -0.520 29.970 30.300 0.316 0.000 0.861 97 R HN 0.306 nan 8.270 nan 0.000 0.440 98 M N -0.742 118.944 119.600 0.144 0.000 2.099 98 M HA -0.015 4.466 4.480 0.002 0.000 0.262 98 M C 1.706 178.089 176.300 0.138 0.000 1.067 98 M CA 1.511 56.870 55.300 0.098 0.000 1.124 98 M CB -0.768 31.851 32.600 0.032 0.000 1.353 98 M HN 0.215 nan 8.290 nan 0.000 0.410 99 F N 1.075 121.072 119.950 0.079 0.000 2.120 99 F HA -0.259 4.270 4.527 0.004 0.000 0.300 99 F C 1.669 177.526 175.800 0.095 0.000 1.095 99 F CA 2.249 60.328 58.000 0.132 0.000 1.249 99 F CB -0.454 38.726 39.000 0.299 0.000 0.995 99 F HN 0.264 nan 8.300 nan 0.000 0.480 100 D N -0.059 120.420 120.400 0.132 0.000 2.234 100 D HA -0.107 4.535 4.640 0.002 0.000 0.205 100 D C 2.240 178.504 176.300 -0.061 0.000 0.962 100 D CA 0.861 54.867 54.000 0.009 0.000 0.855 100 D CB -0.507 40.353 40.800 0.101 0.000 0.951 100 D HN 0.343 nan 8.370 nan 0.000 0.500 101 L N 0.766 121.980 121.223 -0.016 0.000 2.017 101 L HA -0.114 4.228 4.340 0.002 0.000 0.208 101 L C 2.156 178.993 176.870 -0.055 0.000 1.073 101 L CA 1.367 56.192 54.840 -0.025 0.000 0.745 101 L CB -0.475 41.595 42.059 0.019 0.000 0.894 101 L HN -0.053 nan 8.230 nan 0.000 0.432 102 L N -1.682 119.495 121.223 -0.077 0.000 2.042 102 L HA -0.223 4.118 4.340 0.002 0.000 0.210 102 L C 2.471 179.310 176.870 -0.051 0.000 1.076 102 L CA 1.073 55.898 54.840 -0.024 0.000 0.749 102 L CB -0.796 41.173 42.059 -0.150 0.000 0.893 102 L HN 0.132 nan 8.230 nan 0.000 0.432 103 V N -0.037 119.718 119.914 -0.264 0.000 2.295 103 V HA -0.301 3.820 4.120 0.002 0.000 0.246 103 V C 2.691 178.685 176.094 -0.167 0.000 1.049 103 V CA 2.044 64.184 62.300 -0.266 0.000 1.024 103 V CB -0.540 31.056 31.823 -0.379 0.000 0.648 103 V HN 0.443 nan 8.190 nan 0.000 0.447 104 R N -0.732 119.681 120.500 -0.146 0.000 2.148 104 R HA -0.043 4.298 4.340 0.002 0.000 0.223 104 R C 2.157 178.355 176.300 -0.170 0.000 1.088 104 R CA 1.238 57.261 56.100 -0.128 0.000 0.985 104 R CB -0.157 30.087 30.300 -0.093 0.000 0.880 104 R HN 0.438 nan 8.270 nan 0.000 0.451 105 M N -1.163 118.321 119.600 -0.192 0.000 2.394 105 M HA 0.093 4.575 4.480 0.002 0.000 0.264 105 M C 0.959 176.983 176.300 -0.461 0.000 1.073 105 M CA 1.327 56.422 55.300 -0.341 0.000 1.111 105 M CB 0.680 33.080 32.600 -0.333 0.000 1.401 105 M HN 0.495 nan 8.290 nan 0.000 0.448 106 G N -0.517 108.077 108.800 -0.343 0.000 2.143 106 G HA2 -0.213 3.748 3.960 0.002 0.000 0.175 106 G HA3 -0.213 3.748 3.960 0.002 0.000 0.175 106 G C -0.366 174.335 174.900 -0.331 0.000 1.004 106 G CA -0.751 44.156 45.100 -0.322 0.000 0.671 106 G HN 0.393 nan 8.290 nan 0.000 0.512 107 Y N 0.291 120.495 120.300 -0.160 0.000 2.397 107 Y HA 0.521 5.074 4.550 0.004 0.000 0.335 107 Y C 1.547 177.398 175.900 -0.081 0.000 1.213 107 Y CA 0.054 58.096 58.100 -0.097 0.000 1.391 107 Y CB 0.890 39.276 38.460 -0.123 0.000 1.293 107 Y HN -0.093 nan 8.280 nan 0.000 0.557 108 K N 0.780 121.263 120.400 0.138 0.000 2.436 108 K HA 0.164 4.485 4.320 0.002 0.000 0.198 108 K C -0.481 176.155 176.600 0.060 0.000 1.174 108 K CA 0.390 56.711 56.287 0.058 0.000 0.951 108 K CB 0.679 33.202 32.500 0.038 0.000 1.040 108 K HN 0.714 nan 8.250 nan 0.000 0.536 109 E N 1.047 121.302 120.200 0.092 0.000 2.191 109 E HA 0.439 4.790 4.350 0.002 0.000 0.263 109 E C -0.789 175.846 176.600 0.059 0.000 0.881 109 E CA -0.353 56.084 56.400 0.061 0.000 0.757 109 E CB 2.073 31.797 29.700 0.040 0.000 1.147 109 E HN -0.030 nan 8.360 nan 0.000 0.414 110 I N 2.152 122.765 120.570 0.071 0.000 2.468 110 I HA 0.147 4.318 4.170 0.002 0.000 0.285 110 I C -0.293 175.895 176.117 0.119 0.000 1.039 110 I CA -0.554 60.796 61.300 0.084 0.000 1.074 110 I CB 2.083 40.170 38.000 0.144 0.000 1.228 110 I HN 0.451 nan 8.210 nan 0.000 0.436 111 E N 5.349 125.601 120.200 0.085 0.000 2.152 111 E HA 0.206 4.557 4.350 0.002 0.000 0.285 111 E C 0.636 177.316 176.600 0.135 0.000 1.043 111 E CA -0.346 56.113 56.400 0.100 0.000 0.839 111 E CB 1.148 30.901 29.700 0.088 0.000 1.069 111 E HN 0.593 nan 8.360 nan 0.000 0.399 112 V N 1.578 121.589 119.914 0.162 0.000 3.590 112 V HA 0.518 4.639 4.120 0.002 0.000 0.265 112 V C 0.743 176.971 176.094 0.224 0.000 1.239 112 V CA 0.669 63.111 62.300 0.237 0.000 1.117 112 V CB -0.196 31.757 31.823 0.217 0.000 0.818 112 V HN 0.680 nan 8.190 nan 0.000 0.451 113 G N -0.547 108.354 108.800 0.168 0.000 2.344 113 G HA2 0.314 4.275 3.960 0.002 0.000 0.282 113 G HA3 0.314 4.275 3.960 0.002 0.000 0.282 113 G C -1.447 173.589 174.900 0.227 0.000 1.281 113 G CA -0.285 44.929 45.100 0.189 0.000 0.877 113 G HN 0.172 nan 8.290 nan 0.000 0.494 114 F N 2.652 122.660 119.950 0.095 0.000 2.584 114 F HA 0.377 4.906 4.527 0.003 0.000 0.328 114 F C -1.446 174.428 175.800 0.125 0.000 1.407 114 F CA -2.242 55.821 58.000 0.105 0.000 1.145 114 F CB 1.978 41.037 39.000 0.097 0.000 1.440 114 F HN 0.226 nan 8.300 nan 0.000 0.580 115 P HA -0.165 nan 4.420 nan 0.000 0.222 115 P C 1.520 179.026 177.300 0.343 0.000 1.147 115 P CA 1.263 64.532 63.100 0.282 0.000 0.790 115 P CB 0.057 31.830 31.700 0.123 0.000 0.780 116 S N -0.631 115.258 115.700 0.314 0.000 2.481 116 S HA 0.115 4.587 4.470 0.002 0.000 0.231 116 S C 1.870 176.492 174.600 0.037 0.000 0.996 116 S CA 0.749 59.086 58.200 0.227 0.000 0.942 116 S CB -0.785 62.571 63.200 0.260 0.000 0.768 116 S HN 0.141 nan 8.310 nan 0.000 0.520 117 A N -0.158 122.579 122.820 -0.138 0.000 2.382 117 A HA 0.626 4.947 4.320 0.002 0.000 0.228 117 A C 0.807 178.260 177.584 -0.218 0.000 1.217 117 A CA -0.039 51.755 52.037 -0.404 0.000 0.923 117 A CB 0.395 18.618 19.000 -1.295 0.000 0.979 117 A HN 0.390 nan 8.150 nan 0.000 0.515 118 S N -0.696 114.971 115.700 -0.055 0.000 2.706 118 S HA 0.324 4.795 4.470 0.002 0.000 0.270 118 S C 0.272 174.928 174.600 0.092 0.000 1.163 118 S CA -0.410 57.796 58.200 0.009 0.000 1.042 118 S CB 1.369 64.598 63.200 0.047 0.000 1.079 118 S HN 0.307 nan 8.310 nan 0.000 0.474 119 Q N 2.790 122.628 119.800 0.063 0.000 2.124 119 Q HA -0.103 4.239 4.340 0.002 0.000 0.202 119 Q C 1.915 178.009 176.000 0.156 0.000 0.977 119 Q CA 2.899 58.761 55.803 0.097 0.000 0.850 119 Q CB -0.447 28.303 28.738 0.021 0.000 0.901 119 Q HN 0.863 nan 8.270 nan 0.000 0.429 120 T N -2.236 112.385 114.554 0.112 0.000 2.833 120 T HA -0.129 4.222 4.350 0.002 0.000 0.269 120 T C 1.200 176.000 174.700 0.168 0.000 1.054 120 T CA 1.299 63.470 62.100 0.119 0.000 1.135 120 T CB -0.375 68.532 68.868 0.066 0.000 0.869 120 T HN 0.196 nan 8.240 nan 0.000 0.466 121 D N 0.486 120.990 120.400 0.173 0.000 2.117 121 D HA 0.025 4.667 4.640 0.002 0.000 0.197 121 D C 1.523 177.956 176.300 0.222 0.000 0.987 121 D CA 0.584 54.712 54.000 0.213 0.000 0.829 121 D CB -0.602 40.322 40.800 0.207 0.000 0.961 121 D HN 0.434 nan 8.370 nan 0.000 0.460 122 F N 1.612 121.625 119.950 0.105 0.000 2.069 122 F HA -0.236 4.292 4.527 0.003 0.000 0.298 122 F C 1.889 177.725 175.800 0.059 0.000 1.113 122 F CA 1.536 59.582 58.000 0.076 0.000 1.214 122 F CB 0.061 39.096 39.000 0.059 0.000 0.978 122 F HN -0.161 nan 8.300 nan 0.000 0.474 123 D N 0.040 120.647 120.400 0.345 0.000 2.106 123 D HA -0.255 4.387 4.640 0.002 0.000 0.191 123 D C 2.031 178.404 176.300 0.121 0.000 0.997 123 D CA 1.636 55.770 54.000 0.223 0.000 0.834 123 D CB -0.981 39.931 40.800 0.188 0.000 0.956 123 D HN 0.318 nan 8.370 nan 0.000 0.448 124 F N 1.790 121.743 119.950 0.004 0.000 2.065 124 F HA -0.256 4.272 4.527 0.002 0.000 0.298 124 F C 2.304 178.022 175.800 -0.136 0.000 1.112 124 F CA 1.152 59.117 58.000 -0.059 0.000 1.212 124 F CB -0.554 38.416 39.000 -0.050 0.000 0.975 124 F HN -0.193 nan 8.300 nan 0.000 0.476 125 V N 1.093 120.840 119.914 -0.280 0.000 2.324 125 V HA -0.342 3.779 4.120 0.002 0.000 0.250 125 V C 2.639 178.491 176.094 -0.402 0.000 1.060 125 V CA 2.055 64.106 62.300 -0.416 0.000 1.042 125 V CB -0.836 30.802 31.823 -0.309 0.000 0.650 125 V HN 0.246 nan 8.190 nan 0.000 0.450 126 R N 0.209 120.523 120.500 -0.311 0.000 2.080 126 R HA -0.137 4.204 4.340 0.002 0.000 0.236 126 R C 2.219 178.402 176.300 -0.195 0.000 1.137 126 R CA 1.452 57.429 56.100 -0.205 0.000 0.943 126 R CB -1.011 29.257 30.300 -0.053 0.000 0.846 126 R HN 0.577 nan 8.270 nan 0.000 0.431 127 E N 0.795 120.875 120.200 -0.200 0.000 2.068 127 E HA -0.222 4.130 4.350 0.002 0.000 0.207 127 E C 2.024 178.451 176.600 -0.289 0.000 1.032 127 E CA 1.934 58.213 56.400 -0.201 0.000 0.839 127 E CB -0.409 29.174 29.700 -0.195 0.000 0.758 127 E HN 0.511 nan 8.360 nan 0.000 0.457 128 I N -1.577 118.682 120.570 -0.517 0.000 2.394 128 I HA -0.172 4.000 4.170 0.002 0.000 0.251 128 I C 2.351 178.274 176.117 -0.324 0.000 1.136 128 I CA 1.108 62.097 61.300 -0.519 0.000 1.425 128 I CB -0.356 37.083 38.000 -0.936 0.000 1.079 128 I HN -0.036 nan 8.210 nan 0.000 0.425 129 I N 1.734 122.130 120.570 -0.290 0.000 2.193 129 I HA -0.199 3.973 4.170 0.002 0.000 0.240 129 I C 2.628 178.666 176.117 -0.131 0.000 1.084 129 I CA 1.538 62.723 61.300 -0.192 0.000 1.365 129 I CB -0.397 37.495 38.000 -0.180 0.000 1.064 129 I HN 0.200 nan 8.210 nan 0.000 0.410 130 E N 0.409 120.537 120.200 -0.121 0.000 2.150 130 E HA -0.234 4.118 4.350 0.002 0.000 0.193 130 E C 1.618 178.183 176.600 -0.058 0.000 0.985 130 E CA 0.936 57.294 56.400 -0.071 0.000 0.814 130 E CB -0.042 29.628 29.700 -0.049 0.000 0.752 130 E HN 0.586 nan 8.360 nan 0.000 0.466 131 Q N -0.699 119.057 119.800 -0.073 0.000 2.220 131 Q HA 0.176 4.517 4.340 0.002 0.000 0.205 131 Q C 0.519 176.498 176.000 -0.035 0.000 0.865 131 Q CA 0.250 56.025 55.803 -0.045 0.000 0.960 131 Q CB 1.316 30.030 28.738 -0.040 0.000 1.097 131 Q HN 0.311 nan 8.270 nan 0.000 0.493 132 G N 1.099 109.870 108.800 -0.048 0.000 2.221 132 G HA2 -0.353 3.608 3.960 0.002 0.000 0.265 132 G HA3 -0.353 3.608 3.960 0.002 0.000 0.265 132 G C 0.720 175.618 174.900 -0.003 0.000 1.041 132 G CA 0.295 45.377 45.100 -0.029 0.000 0.807 132 G HN 0.476 nan 8.290 nan 0.000 0.502 133 A N -1.010 121.805 122.820 -0.008 0.000 2.168 133 A HA 0.476 4.797 4.320 0.002 0.000 0.215 133 A C 1.177 178.887 177.584 0.209 0.000 1.152 133 A CA 0.946 53.036 52.037 0.087 0.000 0.716 133 A CB 0.003 19.037 19.000 0.058 0.000 0.794 133 A HN 0.824 nan 8.150 nan 0.000 0.465 134 I N 1.328 121.968 120.570 0.118 0.000 2.304 134 I HA 0.257 4.428 4.170 0.002 0.000 0.291 134 I C -2.268 173.893 176.117 0.072 0.000 1.018 134 I CA -2.043 59.359 61.300 0.169 0.000 1.260 134 I CB 1.219 39.277 38.000 0.096 0.000 1.390 134 I HN 0.009 nan 8.210 nan 0.000 0.475 135 P HA 0.017 nan 4.420 nan 0.000 0.271 135 P C 0.206 177.504 177.300 -0.002 0.000 1.233 135 P CA -0.213 62.894 63.100 0.011 0.000 0.789 135 P CB 0.520 32.214 31.700 -0.011 0.000 0.951 136 D N 0.218 120.608 120.400 -0.016 0.000 2.312 136 D HA -0.153 4.488 4.640 0.002 0.000 0.211 136 D C 0.596 176.879 176.300 -0.029 0.000 0.964 136 D CA 0.878 54.863 54.000 -0.026 0.000 0.877 136 D CB -0.655 40.129 40.800 -0.027 0.000 0.924 136 D HN 0.379 nan 8.370 nan 0.000 0.515 137 D N 0.340 120.724 120.400 -0.025 0.000 2.325 137 D HA 0.017 4.658 4.640 0.002 0.000 0.225 137 D C 0.030 176.318 176.300 -0.021 0.000 1.096 137 D CA -0.437 53.547 54.000 -0.026 0.000 0.844 137 D CB -0.023 40.760 40.800 -0.028 0.000 0.925 137 D HN 0.060 nan 8.370 nan 0.000 0.513 138 V N 0.460 120.366 119.914 -0.013 0.000 2.459 138 V HA 0.373 4.495 4.120 0.002 0.000 0.295 138 V C 0.041 176.138 176.094 0.005 0.000 1.029 138 V CA -0.502 61.800 62.300 0.004 0.000 0.874 138 V CB 1.940 33.770 31.823 0.013 0.000 0.985 138 V HN 0.041 nan 8.190 nan 0.000 0.438 139 T N 6.053 120.611 114.554 0.007 0.000 2.772 139 T HA 0.533 4.884 4.350 0.002 0.000 0.288 139 T C -0.053 174.659 174.700 0.019 0.000 0.994 139 T CA -0.185 61.905 62.100 -0.018 0.000 0.951 139 T CB 0.744 69.587 68.868 -0.043 0.000 0.933 139 T HN 0.623 nan 8.240 nan 0.000 0.447 140 I N 1.568 122.146 120.570 0.013 0.000 2.696 140 I HA 0.502 4.674 4.170 0.002 0.000 0.284 140 I C 0.016 176.138 176.117 0.009 0.000 1.129 140 I CA -0.507 60.817 61.300 0.039 0.000 1.410 140 I CB 0.631 38.633 38.000 0.003 0.000 1.399 140 I HN 0.545 nan 8.210 nan 0.000 0.579 141 Q N 5.492 125.319 119.800 0.045 0.000 2.337 141 Q HA 0.683 5.024 4.340 0.002 0.000 0.270 141 Q C -1.625 174.417 176.000 0.070 0.000 1.043 141 Q CA -0.940 54.893 55.803 0.050 0.000 0.794 141 Q CB 2.345 31.115 28.738 0.054 0.000 1.281 141 Q HN 0.796 nan 8.270 nan 0.000 0.446 142 V N 1.695 121.654 119.914 0.075 0.000 2.604 142 V HA 0.604 4.726 4.120 0.002 0.000 0.305 142 V C -0.800 175.343 176.094 0.082 0.000 1.043 142 V CA -1.147 61.199 62.300 0.076 0.000 0.888 142 V CB 1.401 33.254 31.823 0.048 0.000 0.995 142 V HN 0.798 nan 8.190 nan 0.000 0.429 143 L N 3.443 124.661 121.223 -0.008 0.000 2.349 143 L HA 0.812 5.153 4.340 0.002 0.000 0.275 143 L C 0.252 177.031 176.870 -0.152 0.000 1.115 143 L CA 1.087 55.787 54.840 -0.233 0.000 0.820 143 L CB 1.423 43.119 42.059 -0.606 0.000 1.135 143 L HN 1.132 nan 8.230 nan 0.000 0.445 144 T N 3.259 117.805 114.554 -0.014 0.000 2.900 144 T HA 0.463 4.815 4.350 0.002 0.000 0.303 144 T C -0.685 174.166 174.700 0.252 0.000 1.142 144 T CA -0.561 61.691 62.100 0.253 0.000 1.007 144 T CB 1.128 70.178 68.868 0.303 0.000 1.156 144 T HN 0.742 nan 8.240 nan 0.000 0.490 145 Q N 0.788 120.776 119.800 0.312 0.000 2.237 145 Q HA 0.352 4.693 4.340 0.002 0.000 0.219 145 Q C 0.646 176.683 176.000 0.062 0.000 0.999 145 Q CA -0.812 54.978 55.803 -0.022 0.000 0.959 145 Q CB 0.689 29.440 28.738 0.021 0.000 1.173 145 Q HN 0.736 nan 8.270 nan 0.000 0.527 146 C N 0.517 119.815 119.300 -0.003 0.000 2.626 146 C HA 0.100 4.562 4.460 0.002 0.000 0.266 146 C C 0.415 175.411 174.990 0.011 0.000 1.317 146 C CA -0.190 58.846 59.018 0.030 0.000 1.716 146 C CB -1.004 26.757 27.740 0.036 0.000 1.819 146 C HN 0.521 nan 8.230 nan 0.000 0.578 147 R N 2.358 122.876 120.500 0.031 0.000 2.489 147 R HA 0.095 4.437 4.340 0.002 0.000 0.287 147 R C -1.378 174.938 176.300 0.027 0.000 1.053 147 R CA -0.671 55.445 56.100 0.027 0.000 1.036 147 R CB 0.101 30.425 30.300 0.040 0.000 0.966 147 R HN 0.227 nan 8.270 nan 0.000 0.432 148 P HA -0.230 nan 4.420 nan 0.000 0.218 148 P C 0.840 178.147 177.300 0.012 0.000 1.149 148 P CA 1.384 64.474 63.100 -0.017 0.000 0.817 148 P CB 0.208 31.886 31.700 -0.037 0.000 0.785 149 E N 0.687 120.904 120.200 0.027 0.000 2.216 149 E HA -0.069 4.282 4.350 0.002 0.000 0.192 149 E C 2.135 178.785 176.600 0.082 0.000 0.988 149 E CA 0.592 57.019 56.400 0.045 0.000 0.834 149 E CB -1.133 28.586 29.700 0.031 0.000 0.772 149 E HN 0.274 nan 8.360 nan 0.000 0.479 150 L N 0.518 121.798 121.223 0.094 0.000 2.093 150 L HA -0.048 4.293 4.340 0.002 0.000 0.208 150 L C 2.772 179.756 176.870 0.190 0.000 1.085 150 L CA 0.886 55.810 54.840 0.141 0.000 0.755 150 L CB -0.373 41.775 42.059 0.148 0.000 0.904 150 L HN 0.055 nan 8.230 nan 0.000 0.435 151 I N -0.243 120.425 120.570 0.164 0.000 2.252 151 I HA -0.266 3.905 4.170 0.002 0.000 0.245 151 I C 2.452 178.735 176.117 0.276 0.000 1.102 151 I CA 1.201 62.632 61.300 0.218 0.000 1.385 151 I CB -0.250 37.818 38.000 0.114 0.000 1.064 151 I HN 0.277 nan 8.210 nan 0.000 0.414 152 E N 0.690 120.978 120.200 0.148 0.000 2.049 152 E HA -0.318 4.034 4.350 0.002 0.000 0.198 152 E C 2.256 179.010 176.600 0.256 0.000 1.007 152 E CA 1.642 58.132 56.400 0.150 0.000 0.809 152 E CB -0.173 29.580 29.700 0.089 0.000 0.749 152 E HN 0.318 nan 8.360 nan 0.000 0.450 153 R N 0.223 120.865 120.500 0.237 0.000 2.237 153 R HA -0.082 4.259 4.340 0.002 0.000 0.219 153 R C 1.873 178.365 176.300 0.319 0.000 1.080 153 R CA 1.512 57.789 56.100 0.294 0.000 0.995 153 R CB -0.020 30.422 30.300 0.236 0.000 0.875 153 R HN 0.046 nan 8.270 nan 0.000 0.462 154 T N 0.213 114.931 114.554 0.274 0.000 2.812 154 T HA -0.036 4.315 4.350 0.002 0.000 0.264 154 T C 1.085 175.782 174.700 -0.004 0.000 1.042 154 T CA 1.232 63.427 62.100 0.158 0.000 1.140 154 T CB -0.197 68.762 68.868 0.151 0.000 0.870 154 T HN 0.141 nan 8.240 nan 0.000 0.445 155 F N 1.832 121.738 119.950 -0.073 0.000 2.134 155 F HA -0.062 4.467 4.527 0.003 0.000 0.299 155 F C 2.700 178.354 175.800 -0.243 0.000 1.097 155 F CA 1.015 58.838 58.000 -0.295 0.000 1.264 155 F CB -0.667 38.048 39.000 -0.474 0.000 1.001 155 F HN 0.162 nan 8.300 nan 0.000 0.479 156 Q N -0.060 119.828 119.800 0.148 0.000 2.096 156 Q HA -0.223 4.118 4.340 0.002 0.000 0.204 156 Q C 2.538 178.583 176.000 0.076 0.000 0.982 156 Q CA 1.533 57.457 55.803 0.201 0.000 0.850 156 Q CB -0.591 28.368 28.738 0.368 0.000 0.901 156 Q HN 0.442 nan 8.270 nan 0.000 0.422 157 A N 0.379 123.142 122.820 -0.094 0.000 1.903 157 A HA -0.257 4.065 4.320 0.002 0.000 0.219 157 A C 2.201 179.566 177.584 -0.364 0.000 1.191 157 A CA 1.735 53.370 52.037 -0.670 0.000 0.638 157 A CB -0.994 17.677 19.000 -0.549 0.000 0.823 157 A HN 0.548 nan 8.150 nan 0.000 0.451 158 C N -0.381 118.816 119.300 -0.171 0.000 2.562 158 C HA 0.257 4.718 4.460 0.002 0.000 0.266 158 C C 1.636 176.583 174.990 -0.072 0.000 1.382 158 C CA -0.077 58.880 59.018 -0.102 0.000 1.742 158 C CB -1.627 26.141 27.740 0.046 0.000 1.812 158 C HN 0.561 nan 8.230 nan 0.000 0.559 159 S N 0.272 115.945 115.700 -0.044 0.000 2.784 159 S HA 0.304 4.775 4.470 0.002 0.000 0.322 159 S C 1.367 175.967 174.600 -0.001 0.000 1.234 159 S CA 1.503 59.716 58.200 0.021 0.000 1.064 159 S CB -0.208 63.059 63.200 0.111 0.000 0.787 159 S HN 1.106 nan 8.310 nan 0.000 0.506 160 G N 2.892 111.696 108.800 0.006 0.000 2.217 160 G HA2 -0.142 3.820 3.960 0.002 0.000 0.246 160 G HA3 -0.142 3.820 3.960 0.002 0.000 0.246 160 G C 0.262 175.098 174.900 -0.107 0.000 0.990 160 G CA 0.037 45.117 45.100 -0.032 0.000 0.627 160 G HN 1.515 nan 8.290 nan 0.000 0.522 161 A N 0.980 123.692 122.820 -0.180 0.000 2.477 161 A HA 0.633 4.954 4.320 0.002 0.000 0.246 161 A C -0.193 177.226 177.584 -0.275 0.000 1.078 161 A CA -0.084 51.810 52.037 -0.238 0.000 0.770 161 A CB 0.588 19.404 19.000 -0.308 0.000 1.011 161 A HN 0.128 nan 8.150 nan 0.000 0.494 162 P HA -0.005 nan 4.420 nan 0.000 0.229 162 P C 0.125 177.250 177.300 -0.291 0.000 1.160 162 P CA 0.911 63.888 63.100 -0.205 0.000 0.777 162 P CB 0.120 31.741 31.700 -0.132 0.000 0.814 163 R N -1.035 119.258 120.500 -0.345 0.000 2.644 163 R HA 0.712 5.053 4.340 0.002 0.000 0.257 163 R C -2.348 173.731 176.300 -0.368 0.000 1.082 163 R CA -0.842 55.029 56.100 -0.383 0.000 0.927 163 R CB 0.781 30.942 30.300 -0.232 0.000 1.258 163 R HN -0.113 nan 8.270 nan 0.000 0.459 164 A N 3.562 126.140 122.820 -0.404 0.000 2.589 164 A HA 0.601 4.923 4.320 0.002 0.000 0.296 164 A C -1.320 176.182 177.584 -0.136 0.000 1.062 164 A CA -0.854 51.032 52.037 -0.253 0.000 0.686 164 A CB 1.479 20.310 19.000 -0.281 0.000 1.282 164 A HN 0.610 nan 8.150 nan 0.000 0.404 165 I N 1.812 122.339 120.570 -0.072 0.000 2.312 165 I HA 0.331 4.502 4.170 0.002 0.000 0.290 165 I C -0.425 175.717 176.117 0.042 0.000 1.008 165 I CA -0.648 60.626 61.300 -0.044 0.000 1.226 165 I CB 1.719 39.702 38.000 -0.029 0.000 1.371 165 I HN 0.325 nan 8.210 nan 0.000 0.468 166 V N 6.492 126.455 119.914 0.081 0.000 2.368 166 V HA 0.078 4.199 4.120 0.002 0.000 0.266 166 V C 0.315 176.673 176.094 0.440 0.000 1.045 166 V CA -0.432 62.010 62.300 0.237 0.000 0.899 166 V CB 0.309 32.282 31.823 0.250 0.000 1.006 166 V HN 0.647 nan 8.190 nan 0.000 0.470 167 H N 6.744 125.936 119.070 0.204 0.000 2.820 167 H HA 0.419 4.977 4.556 0.003 0.000 0.278 167 H C -0.629 174.849 175.328 0.250 0.000 1.142 167 H CA -0.822 55.312 56.048 0.142 0.000 1.346 167 H CB 0.366 30.140 29.762 0.020 0.000 1.438 167 H HN 0.636 nan 8.280 nan 0.000 0.473 168 F N 4.629 124.771 119.950 0.320 0.000 2.470 168 F HA 0.519 5.048 4.527 0.003 0.000 0.329 168 F C -1.473 174.485 175.800 0.263 0.000 1.072 168 F CA -1.106 57.031 58.000 0.228 0.000 0.989 168 F CB 0.843 39.987 39.000 0.240 0.000 1.193 168 F HN 0.365 nan 8.300 nan 0.000 0.481 169 Y N 0.135 120.486 120.300 0.084 0.000 2.656 169 Y HA 0.663 5.214 4.550 0.003 0.000 0.334 169 Y C -2.005 173.969 175.900 0.123 0.000 1.179 169 Y CA -1.810 56.248 58.100 -0.070 0.000 1.050 169 Y CB 1.365 39.667 38.460 -0.263 0.000 1.308 169 Y HN 0.951 nan 8.280 nan 0.000 0.456 170 N N 0.171 118.893 118.700 0.037 0.000 2.636 170 N HA 0.280 5.021 4.740 0.002 0.000 0.261 170 N C -1.886 173.723 175.510 0.165 0.000 1.195 170 N CA -0.651 52.393 53.050 -0.009 0.000 0.902 170 N CB 1.912 40.392 38.487 -0.012 0.000 1.627 170 N HN 0.666 nan 8.380 nan 0.000 0.491 171 S N 0.237 116.065 115.700 0.213 0.000 2.528 171 S HA 0.303 4.775 4.470 0.002 0.000 0.277 171 S C 1.081 175.825 174.600 0.240 0.000 1.297 171 S CA -0.053 58.331 58.200 0.306 0.000 1.052 171 S CB 0.566 64.045 63.200 0.466 0.000 0.917 171 S HN 0.731 nan 8.310 nan 0.000 0.492 172 T N -2.044 112.665 114.554 0.259 0.000 3.043 172 T HA 0.156 4.507 4.350 0.002 0.000 0.272 172 T C 0.683 175.551 174.700 0.279 0.000 0.990 172 T CA -0.254 62.022 62.100 0.294 0.000 0.897 172 T CB -0.214 68.841 68.868 0.312 0.000 1.111 172 T HN 0.594 nan 8.240 nan 0.000 0.529 173 S N 1.139 116.977 115.700 0.230 0.000 2.563 173 S HA 0.240 4.712 4.470 0.002 0.000 0.284 173 S C 1.409 176.077 174.600 0.113 0.000 1.331 173 S CA -0.654 57.640 58.200 0.157 0.000 1.047 173 S CB 0.141 63.421 63.200 0.135 0.000 0.859 173 S HN 0.291 nan 8.310 nan 0.000 0.514 174 I N 1.492 122.090 120.570 0.047 0.000 2.113 174 I HA -0.242 3.930 4.170 0.002 0.000 0.242 174 I C 2.457 178.586 176.117 0.021 0.000 1.064 174 I CA 1.733 63.032 61.300 -0.000 0.000 1.320 174 I CB -0.483 37.492 38.000 -0.042 0.000 1.028 174 I HN 0.728 nan 8.210 nan 0.000 0.406 175 L N 0.051 121.291 121.223 0.028 0.000 2.141 175 L HA -0.213 4.129 4.340 0.002 0.000 0.209 175 L C 2.387 179.285 176.870 0.047 0.000 1.094 175 L CA 1.755 56.611 54.840 0.026 0.000 0.763 175 L CB -0.525 41.545 42.059 0.018 0.000 0.908 175 L HN 0.244 nan 8.230 nan 0.000 0.437 176 Q N -0.806 119.055 119.800 0.101 0.000 2.187 176 Q HA -0.081 4.261 4.340 0.002 0.000 0.199 176 Q C 2.251 178.388 176.000 0.229 0.000 0.957 176 Q CA 0.933 56.809 55.803 0.121 0.000 0.857 176 Q CB 0.007 28.881 28.738 0.228 0.000 0.929 176 Q HN 0.554 nan 8.270 nan 0.000 0.453 177 R N 0.386 121.053 120.500 0.277 0.000 2.115 177 R HA -0.095 4.247 4.340 0.002 0.000 0.230 177 R C 2.273 178.672 176.300 0.166 0.000 1.111 177 R CA 0.987 57.258 56.100 0.285 0.000 0.976 177 R CB -0.139 30.229 30.300 0.112 0.000 0.870 177 R HN 0.138 nan 8.270 nan 0.000 0.445 178 R N 0.820 121.371 120.500 0.084 0.000 2.055 178 R HA -0.076 4.265 4.340 0.002 0.000 0.226 178 R C 2.143 178.453 176.300 0.018 0.000 1.135 178 R CA 1.664 57.785 56.100 0.035 0.000 0.959 178 R CB 0.094 30.398 30.300 0.007 0.000 0.854 178 R HN 0.221 nan 8.270 nan 0.000 0.431 179 V N -2.222 117.688 119.914 -0.006 0.000 3.523 179 V HA 0.144 4.265 4.120 0.002 0.000 0.255 179 V C 1.600 177.637 176.094 -0.096 0.000 1.226 179 V CA 0.293 62.571 62.300 -0.038 0.000 1.092 179 V CB 0.801 32.602 31.823 -0.037 0.000 0.817 179 V HN 0.078 nan 8.190 nan 0.000 0.458 180 V N 0.023 119.829 119.914 -0.179 0.000 2.374 180 V HA 0.131 4.252 4.120 0.002 0.000 0.241 180 V C 2.213 178.005 176.094 -0.503 0.000 1.034 180 V CA 2.248 64.291 62.300 -0.427 0.000 1.037 180 V CB -0.590 30.830 31.823 -0.672 0.000 0.682 180 V HN 0.514 nan 8.190 nan 0.000 0.463 181 F N -0.713 119.255 119.950 0.030 0.000 2.714 181 F HA 0.332 4.860 4.527 0.002 0.000 0.294 181 F C 1.273 177.085 175.800 0.020 0.000 1.120 181 F CA -0.258 57.760 58.000 0.030 0.000 1.398 181 F CB -0.073 38.952 39.000 0.042 0.000 1.120 181 F HN -0.090 nan 8.300 nan 0.000 0.589 182 R N 0.565 121.144 120.500 0.132 0.000 3.301 182 R HA -0.162 4.180 4.340 0.002 0.000 0.249 182 R C -0.485 175.873 176.300 0.096 0.000 0.964 182 R CA 0.337 56.487 56.100 0.082 0.000 0.653 182 R CB -1.907 28.419 30.300 0.044 0.000 1.043 182 R HN 0.272 nan 8.270 nan 0.000 0.454 183 A N 1.009 123.904 122.820 0.126 0.000 2.401 183 A HA 0.564 4.885 4.320 0.002 0.000 0.310 183 A C -0.027 177.586 177.584 0.048 0.000 1.075 183 A CA -0.820 51.276 52.037 0.099 0.000 0.746 183 A CB 1.139 20.219 19.000 0.134 0.000 1.277 183 A HN 0.386 nan 8.150 nan 0.000 0.425 184 N N 0.585 119.298 118.700 0.022 0.000 2.408 184 N HA 0.231 4.973 4.740 0.002 0.000 0.260 184 N C 0.568 176.069 175.510 -0.015 0.000 1.242 184 N CA -0.429 52.615 53.050 -0.010 0.000 0.959 184 N CB 0.346 38.828 38.487 -0.008 0.000 1.201 184 N HN 0.611 nan 8.380 nan 0.000 0.511 185 R N -0.327 120.130 120.500 -0.072 0.000 2.103 185 R HA -0.128 4.214 4.340 0.002 0.000 0.242 185 R C 1.854 178.256 176.300 0.170 0.000 1.142 185 R CA 2.094 58.156 56.100 -0.064 0.000 0.960 185 R CB -0.719 29.466 30.300 -0.191 0.000 0.858 185 R HN 0.760 nan 8.270 nan 0.000 0.439 186 A N 0.750 123.627 122.820 0.095 0.000 1.929 186 A HA -0.155 4.166 4.320 0.002 0.000 0.216 186 A C 1.874 179.496 177.584 0.063 0.000 1.176 186 A CA 1.227 53.316 52.037 0.087 0.000 0.628 186 A CB -0.209 18.821 19.000 0.049 0.000 0.816 186 A HN 0.282 nan 8.150 nan 0.000 0.444 187 E N -0.520 119.707 120.200 0.046 0.000 2.047 187 E HA -0.103 4.248 4.350 0.002 0.000 0.191 187 E C 1.938 178.541 176.600 0.005 0.000 0.987 187 E CA 1.311 57.724 56.400 0.022 0.000 0.799 187 E CB -0.149 29.563 29.700 0.019 0.000 0.752 187 E HN 0.347 nan 8.360 nan 0.000 0.449 188 V N 0.956 120.887 119.914 0.028 0.000 2.427 188 V HA -0.260 3.861 4.120 0.002 0.000 0.248 188 V C 2.414 178.538 176.094 0.050 0.000 1.051 188 V CA 1.866 64.165 62.300 -0.002 0.000 1.048 188 V CB -0.422 31.428 31.823 0.045 0.000 0.666 188 V HN 0.296 nan 8.190 nan 0.000 0.456 189 Q N 0.282 120.152 119.800 0.116 0.000 2.096 189 Q HA -0.229 4.112 4.340 0.002 0.000 0.204 189 Q C 2.225 178.209 176.000 -0.026 0.000 0.982 189 Q CA 2.151 57.962 55.803 0.013 0.000 0.850 189 Q CB -0.322 28.432 28.738 0.026 0.000 0.901 189 Q HN 0.619 nan 8.270 nan 0.000 0.422 190 A N 0.680 123.493 122.820 -0.011 0.000 1.972 190 A HA -0.157 4.164 4.320 0.002 0.000 0.219 190 A C 1.973 179.535 177.584 -0.035 0.000 1.169 190 A CA 1.225 53.247 52.037 -0.026 0.000 0.635 190 A CB -0.686 18.305 19.000 -0.015 0.000 0.810 190 A HN 0.526 nan 8.150 nan 0.000 0.446 191 I N -0.397 120.149 120.570 -0.039 0.000 2.194 191 I HA -0.341 3.831 4.170 0.002 0.000 0.246 191 I C 2.890 179.004 176.117 -0.004 0.000 1.093 191 I CA 1.322 62.597 61.300 -0.043 0.000 1.355 191 I CB -0.314 37.631 38.000 -0.092 0.000 1.046 191 I HN 0.395 nan 8.210 nan 0.000 0.413 192 A N 0.651 123.477 122.820 0.011 0.000 1.903 192 A HA -0.141 4.180 4.320 0.002 0.000 0.213 192 A C 2.436 180.010 177.584 -0.017 0.000 1.185 192 A CA 1.788 53.853 52.037 0.047 0.000 0.628 192 A CB -1.021 17.907 19.000 -0.119 0.000 0.830 192 A HN 0.488 nan 8.150 nan 0.000 0.446 193 T N -1.791 112.720 114.554 -0.073 0.000 2.821 193 T HA -0.141 4.211 4.350 0.002 0.000 0.267 193 T C 1.297 175.937 174.700 -0.099 0.000 1.046 193 T CA 1.568 63.619 62.100 -0.081 0.000 1.139 193 T CB -0.506 68.319 68.868 -0.073 0.000 0.871 193 T HN 0.303 nan 8.240 nan 0.000 0.454 194 D N 1.797 122.145 120.400 -0.087 0.000 2.144 194 D HA 0.035 4.677 4.640 0.002 0.000 0.199 194 D C 2.435 178.640 176.300 -0.159 0.000 0.984 194 D CA 1.340 55.278 54.000 -0.104 0.000 0.834 194 D CB -1.022 39.733 40.800 -0.074 0.000 0.955 194 D HN 0.567 nan 8.370 nan 0.000 0.465 195 G N 0.766 109.471 108.800 -0.158 0.000 2.440 195 G HA2 -0.221 3.741 3.960 0.002 0.000 0.218 195 G HA3 -0.221 3.741 3.960 0.002 0.000 0.218 195 G C 1.705 176.219 174.900 -0.643 0.000 1.154 195 G CA 1.359 46.283 45.100 -0.294 0.000 0.767 195 G HN 0.411 nan 8.290 nan 0.000 0.552 196 A N 0.648 123.140 122.820 -0.547 0.000 1.873 196 A HA 0.034 4.355 4.320 0.002 0.000 0.215 196 A C 2.413 179.733 177.584 -0.440 0.000 1.186 196 A CA 1.643 53.336 52.037 -0.573 0.000 0.616 196 A CB -0.450 18.463 19.000 -0.145 0.000 0.823 196 A HN 0.334 nan 8.150 nan 0.000 0.442 197 R N -0.639 119.689 120.500 -0.288 0.000 2.096 197 R HA -0.212 4.129 4.340 0.002 0.000 0.240 197 R C 2.318 178.458 176.300 -0.267 0.000 1.139 197 R CA 1.979 57.940 56.100 -0.231 0.000 0.952 197 R CB -0.246 29.958 30.300 -0.159 0.000 0.854 197 R HN 0.434 nan 8.270 nan 0.000 0.436 198 K N 0.350 120.580 120.400 -0.284 0.000 2.147 198 K HA -0.104 4.218 4.320 0.002 0.000 0.205 198 K C 1.847 178.223 176.600 -0.372 0.000 1.049 198 K CA 1.453 57.573 56.287 -0.279 0.000 0.936 198 K CB -0.313 32.052 32.500 -0.224 0.000 0.722 198 K HN 0.175 nan 8.250 nan 0.000 0.446 199 C N -0.753 118.281 119.300 -0.443 0.000 2.446 199 C HA -0.011 4.450 4.460 0.002 0.000 0.277 199 C C 2.467 177.186 174.990 -0.453 0.000 1.275 199 C CA 0.636 59.396 59.018 -0.430 0.000 1.727 199 C CB -0.592 26.774 27.740 -0.623 0.000 2.010 199 C HN 0.288 nan 8.230 nan 0.000 0.486 200 V N 1.336 120.978 119.914 -0.452 0.000 2.392 200 V HA -0.236 3.885 4.120 0.002 0.000 0.249 200 V C 2.557 178.527 176.094 -0.206 0.000 1.059 200 V CA 2.376 64.509 62.300 -0.278 0.000 1.051 200 V CB -0.777 30.914 31.823 -0.221 0.000 0.658 200 V HN 0.687 nan 8.190 nan 0.000 0.455 201 E N -0.614 119.431 120.200 -0.259 0.000 2.158 201 E HA -0.206 4.145 4.350 0.002 0.000 0.191 201 E C 2.136 178.553 176.600 -0.305 0.000 0.982 201 E CA 0.833 57.097 56.400 -0.226 0.000 0.823 201 E CB -0.004 29.574 29.700 -0.203 0.000 0.766 201 E HN 0.556 nan 8.360 nan 0.000 0.468 202 Q N 0.405 119.886 119.800 -0.532 0.000 2.062 202 Q HA -0.009 4.333 4.340 0.002 0.000 0.196 202 Q C 2.264 177.877 176.000 -0.645 0.000 0.967 202 Q CA 1.240 56.549 55.803 -0.824 0.000 0.832 202 Q CB -0.404 27.268 28.738 -1.776 0.000 0.899 202 Q HN 0.371 nan 8.270 nan 0.000 0.442 203 A N 1.424 123.901 122.820 -0.573 0.000 1.958 203 A HA -0.215 4.107 4.320 0.002 0.000 0.221 203 A C 2.291 179.962 177.584 0.145 0.000 1.178 203 A CA 2.240 54.183 52.037 -0.158 0.000 0.642 203 A CB -0.682 18.468 19.000 0.251 0.000 0.816 203 A HN 0.380 nan 8.150 nan 0.000 0.453 204 A N -0.935 121.905 122.820 0.033 0.000 1.968 204 A HA 0.162 4.483 4.320 0.002 0.000 0.217 204 A C 2.267 179.855 177.584 0.006 0.000 1.169 204 A CA 2.238 54.304 52.037 0.049 0.000 0.638 204 A CB -0.721 18.276 19.000 -0.006 0.000 0.812 204 A HN 0.751 nan 8.150 nan 0.000 0.446 205 K N -1.361 118.982 120.400 -0.095 0.000 2.504 205 K HA 0.081 4.403 4.320 0.002 0.000 0.195 205 K C 0.107 176.481 176.600 -0.377 0.000 1.036 205 K CA 0.874 57.007 56.287 -0.257 0.000 0.984 205 K CB -0.745 31.526 32.500 -0.381 0.000 0.788 205 K HN 0.666 nan 8.250 nan 0.000 0.488 206 Y N 0.028 120.441 120.300 0.188 0.000 2.511 206 Y HA 0.217 4.769 4.550 0.003 0.000 0.356 206 Y C -1.837 174.329 175.900 0.442 0.000 1.002 206 Y CA -2.401 55.927 58.100 0.380 0.000 1.127 206 Y CB 1.762 40.624 38.460 0.671 0.000 1.137 206 Y HN 0.043 nan 8.280 nan 0.000 0.652 207 P HA -0.109 nan 4.420 nan 0.000 0.225 207 P C 1.638 179.051 177.300 0.189 0.000 1.148 207 P CA 1.297 64.549 63.100 0.253 0.000 0.779 207 P CB 0.311 32.099 31.700 0.147 0.000 0.780 208 G N -0.663 108.254 108.800 0.195 0.000 2.509 208 G HA2 -0.086 3.875 3.960 0.002 0.000 0.218 208 G HA3 -0.086 3.875 3.960 0.002 0.000 0.218 208 G C 0.438 175.328 174.900 -0.017 0.000 1.124 208 G CA 0.573 45.732 45.100 0.098 0.000 0.776 208 G HN 0.271 nan 8.290 nan 0.000 0.547 209 T N 1.247 115.750 114.554 -0.085 0.000 2.824 209 T HA 0.376 4.727 4.350 0.002 0.000 0.280 209 T C -0.430 173.924 174.700 -0.577 0.000 0.995 209 T CA -0.495 61.271 62.100 -0.556 0.000 1.009 209 T CB 1.909 69.997 68.868 -1.300 0.000 0.955 209 T HN -0.062 nan 8.240 nan 0.000 0.452 210 Q N 2.454 121.968 119.800 -0.478 0.000 2.369 210 Q HA 0.124 4.465 4.340 0.002 0.000 0.247 210 Q C -0.993 174.766 176.000 -0.402 0.000 1.083 210 Q CA 0.102 55.729 55.803 -0.292 0.000 0.905 210 Q CB 0.387 29.012 28.738 -0.188 0.000 1.305 210 Q HN 0.595 nan 8.270 nan 0.000 0.465 211 W N 3.177 124.447 121.300 -0.050 0.000 2.351 211 W HA 0.367 5.028 4.660 0.003 0.000 0.311 211 W C 0.648 176.891 176.519 -0.461 0.000 1.168 211 W CA -0.534 56.674 57.345 -0.228 0.000 1.200 211 W CB 0.958 30.367 29.460 -0.085 0.000 1.221 211 W HN 0.218 nan 8.180 nan 0.000 0.519 212 R N 2.099 122.363 120.500 -0.393 0.000 2.803 212 R HA 0.687 5.029 4.340 0.002 0.000 0.276 212 R C -1.340 174.511 176.300 -0.747 0.000 0.978 212 R CA -1.200 54.613 56.100 -0.478 0.000 0.939 212 R CB 1.831 32.016 30.300 -0.191 0.000 1.179 212 R HN 0.308 nan 8.270 nan 0.000 0.472 213 F N 0.158 120.208 119.950 0.166 0.000 2.508 213 F HA 0.397 4.926 4.527 0.003 0.000 0.325 213 F C 0.248 176.082 175.800 0.056 0.000 1.090 213 F CA -0.743 57.383 58.000 0.210 0.000 0.945 213 F CB 2.034 41.245 39.000 0.352 0.000 1.156 213 F HN 0.386 nan 8.300 nan 0.000 0.463 214 E N 1.880 122.202 120.200 0.202 0.000 2.248 214 E HA 0.322 4.674 4.350 0.002 0.000 0.267 214 E C -2.135 174.412 176.600 -0.088 0.000 0.877 214 E CA -0.831 55.557 56.400 -0.020 0.000 0.759 214 E CB 1.949 31.552 29.700 -0.161 0.000 1.182 214 E HN 0.624 nan 8.360 nan 0.000 0.418 215 Y N 2.370 122.523 120.300 -0.245 0.000 2.364 215 Y HA 0.482 5.033 4.550 0.002 0.000 0.340 215 Y C -1.333 174.601 175.900 0.058 0.000 0.975 215 Y CA -0.613 57.305 58.100 -0.304 0.000 1.089 215 Y CB 1.924 40.234 38.460 -0.250 0.000 1.192 215 Y HN 0.363 nan 8.280 nan 0.000 0.454 216 S N 8.442 123.667 115.700 -0.792 0.000 2.498 216 S HA 0.368 4.839 4.470 0.002 0.000 0.317 216 S C -2.888 171.175 174.600 -0.895 0.000 1.090 216 S CA -1.484 56.400 58.200 -0.526 0.000 1.089 216 S CB 1.320 64.485 63.200 -0.057 0.000 0.997 216 S HN 0.475 nan 8.310 nan 0.000 0.470 217 P HA 0.082 nan 4.420 nan 0.000 0.268 217 P C -0.195 177.149 177.300 0.074 0.000 1.485 217 P CA -0.184 62.869 63.100 -0.078 0.000 1.102 217 P CB 0.180 31.970 31.700 0.150 0.000 1.501 218 E N 2.634 122.895 120.200 0.102 0.000 2.384 218 E HA 0.032 4.383 4.350 0.002 0.000 0.266 218 E C 0.023 176.740 176.600 0.196 0.000 1.012 218 E CA 0.322 56.810 56.400 0.146 0.000 0.901 218 E CB 0.256 30.113 29.700 0.261 0.000 0.967 218 E HN 0.358 nan 8.360 nan 0.000 0.435 219 S N 2.630 118.442 115.700 0.186 0.000 3.593 219 S HA -0.264 4.208 4.470 0.002 0.000 0.301 219 S C 0.500 175.242 174.600 0.237 0.000 1.209 219 S CA 0.937 59.253 58.200 0.194 0.000 0.878 219 S CB -2.229 61.076 63.200 0.175 0.000 1.000 219 S HN 0.747 nan 8.310 nan 0.000 0.578 220 Y N 2.729 123.113 120.300 0.140 0.000 2.096 220 Y HA -0.341 4.211 4.550 0.003 0.000 0.276 220 Y C 2.399 178.414 175.900 0.193 0.000 1.209 220 Y CA 2.801 60.994 58.100 0.155 0.000 1.137 220 Y CB -0.993 37.555 38.460 0.147 0.000 0.956 220 Y HN 0.625 nan 8.280 nan 0.000 0.506 221 T N -2.898 111.708 114.554 0.087 0.000 3.025 221 T HA -0.022 4.330 4.350 0.002 0.000 0.270 221 T C 1.673 176.456 174.700 0.138 0.000 1.126 221 T CA 0.938 63.064 62.100 0.045 0.000 1.105 221 T CB -0.812 68.183 68.868 0.211 0.000 0.884 221 T HN 0.480 nan 8.240 nan 0.000 0.522 222 G N 0.424 109.284 108.800 0.100 0.000 3.605 222 G HA2 0.402 4.363 3.960 0.002 0.000 0.277 222 G HA3 0.402 4.363 3.960 0.002 0.000 0.277 222 G C -0.100 174.814 174.900 0.022 0.000 1.093 222 G CA -0.422 44.721 45.100 0.071 0.000 0.821 222 G HN 0.471 nan 8.290 nan 0.000 0.532 223 T N 0.947 115.499 114.554 -0.003 0.000 2.856 223 T HA 0.376 4.727 4.350 0.002 0.000 0.283 223 T C -0.539 174.140 174.700 -0.035 0.000 1.008 223 T CA -0.547 61.574 62.100 0.034 0.000 0.997 223 T CB 2.133 71.082 68.868 0.136 0.000 0.992 223 T HN 0.183 nan 8.240 nan 0.000 0.454 224 E N 2.310 122.508 120.200 -0.003 0.000 2.585 224 E HA 0.014 4.365 4.350 0.002 0.000 0.252 224 E C 1.077 177.665 176.600 -0.020 0.000 0.981 224 E CA 0.013 56.390 56.400 -0.038 0.000 0.943 224 E CB 0.146 29.842 29.700 -0.007 0.000 0.923 224 E HN 0.492 nan 8.360 nan 0.000 0.486 225 L N 2.796 123.925 121.223 -0.156 0.000 2.081 225 L HA -0.273 4.068 4.340 0.002 0.000 0.212 225 L C 2.050 178.887 176.870 -0.055 0.000 1.080 225 L CA 1.788 56.528 54.840 -0.167 0.000 0.754 225 L CB -0.620 41.113 42.059 -0.544 0.000 0.893 225 L HN 0.603 nan 8.230 nan 0.000 0.433 226 E N -0.523 119.609 120.200 -0.114 0.000 2.150 226 E HA -0.284 4.068 4.350 0.002 0.000 0.193 226 E C 2.023 178.750 176.600 0.211 0.000 0.985 226 E CA 1.420 57.907 56.400 0.145 0.000 0.814 226 E CB -0.766 29.001 29.700 0.111 0.000 0.752 226 E HN 0.549 nan 8.360 nan 0.000 0.466 227 Y N 0.928 121.259 120.300 0.051 0.000 2.243 227 Y HA 0.040 4.592 4.550 0.003 0.000 0.293 227 Y C 2.503 178.460 175.900 0.095 0.000 1.124 227 Y CA 1.211 59.347 58.100 0.061 0.000 1.159 227 Y CB -0.302 38.180 38.460 0.036 0.000 1.008 227 Y HN 0.142 nan 8.280 nan 0.000 0.527 228 A N 0.968 123.848 122.820 0.100 0.000 1.892 228 A HA -0.289 4.033 4.320 0.002 0.000 0.218 228 A C 2.277 179.869 177.584 0.014 0.000 1.188 228 A CA 2.200 54.294 52.037 0.094 0.000 0.631 228 A CB -0.869 18.326 19.000 0.324 0.000 0.822 228 A HN 0.526 nan 8.150 nan 0.000 0.447 229 K N -0.602 119.870 120.400 0.121 0.000 2.032 229 K HA -0.265 4.056 4.320 0.002 0.000 0.209 229 K C 2.366 178.934 176.600 -0.054 0.000 1.048 229 K CA 1.905 58.232 56.287 0.067 0.000 0.927 229 K CB -0.292 32.366 32.500 0.262 0.000 0.712 229 K HN 0.658 nan 8.250 nan 0.000 0.441 230 Q N 0.466 120.246 119.800 -0.032 0.000 2.045 230 Q HA -0.174 4.168 4.340 0.002 0.000 0.206 230 Q C 2.032 177.920 176.000 -0.187 0.000 0.991 230 Q CA 2.332 58.087 55.803 -0.079 0.000 0.851 230 Q CB -0.045 28.681 28.738 -0.019 0.000 0.911 230 Q HN 0.245 nan 8.270 nan 0.000 0.418 231 V N 0.383 120.095 119.914 -0.337 0.000 2.287 231 V HA -0.373 3.749 4.120 0.002 0.000 0.248 231 V C 2.581 178.489 176.094 -0.310 0.000 1.053 231 V CA 1.845 63.944 62.300 -0.335 0.000 1.027 231 V CB -0.935 30.655 31.823 -0.388 0.000 0.646 231 V HN 0.573 nan 8.190 nan 0.000 0.447 232 C N 0.274 119.366 119.300 -0.347 0.000 2.413 232 C HA -0.181 4.281 4.460 0.002 0.000 0.277 232 C C 2.594 177.340 174.990 -0.406 0.000 1.228 232 C CA 1.070 59.677 59.018 -0.685 0.000 1.731 232 C CB -1.192 25.769 27.740 -1.298 0.000 2.042 232 C HN 0.602 nan 8.230 nan 0.000 0.468 233 D N 0.990 121.239 120.400 -0.253 0.000 2.116 233 D HA -0.124 4.518 4.640 0.002 0.000 0.193 233 D C 2.285 178.576 176.300 -0.016 0.000 0.998 233 D CA 1.900 55.861 54.000 -0.065 0.000 0.836 233 D CB -0.653 40.117 40.800 -0.049 0.000 0.951 233 D HN 0.519 nan 8.370 nan 0.000 0.449 234 A N 0.558 123.336 122.820 -0.069 0.000 1.865 234 A HA -0.168 4.153 4.320 0.002 0.000 0.217 234 A C 2.579 180.143 177.584 -0.034 0.000 1.191 234 A CA 1.597 53.601 52.037 -0.055 0.000 0.623 234 A CB -0.919 18.028 19.000 -0.088 0.000 0.826 234 A HN 0.154 nan 8.150 nan 0.000 0.444 235 V N 0.005 119.882 119.914 -0.061 0.000 2.332 235 V HA -0.230 3.891 4.120 0.002 0.000 0.248 235 V C 2.803 178.994 176.094 0.160 0.000 1.055 235 V CA 2.106 64.419 62.300 0.022 0.000 1.038 235 V CB -1.454 30.318 31.823 -0.085 0.000 0.651 235 V HN 0.647 nan 8.190 nan 0.000 0.450 236 G N -0.840 108.130 108.800 0.282 0.000 2.422 236 G HA2 -0.218 3.744 3.960 0.002 0.000 0.218 236 G HA3 -0.218 3.744 3.960 0.002 0.000 0.218 236 G C 1.475 176.448 174.900 0.123 0.000 1.146 236 G CA 0.571 45.827 45.100 0.259 0.000 0.769 236 G HN 0.466 nan 8.290 nan 0.000 0.547 237 E N 0.262 120.510 120.200 0.080 0.000 2.118 237 E HA -0.083 4.268 4.350 0.002 0.000 0.195 237 E C 2.806 179.419 176.600 0.023 0.000 0.992 237 E CA 0.685 57.110 56.400 0.042 0.000 0.804 237 E CB -0.279 29.434 29.700 0.021 0.000 0.741 237 E HN 0.355 nan 8.360 nan 0.000 0.458 238 V N 0.773 120.695 119.914 0.012 0.000 2.302 238 V HA -0.192 3.929 4.120 0.002 0.000 0.243 238 V C 2.328 178.404 176.094 -0.030 0.000 1.036 238 V CA 1.143 63.428 62.300 -0.024 0.000 1.020 238 V CB -0.305 31.486 31.823 -0.053 0.000 0.657 238 V HN 0.119 nan 8.190 nan 0.000 0.453 239 I N 0.523 121.090 120.570 -0.005 0.000 2.394 239 I HA 0.031 4.203 4.170 0.002 0.000 0.251 239 I C 1.356 177.507 176.117 0.057 0.000 1.136 239 I CA 1.138 62.437 61.300 -0.003 0.000 1.425 239 I CB -0.510 37.527 38.000 0.061 0.000 1.079 239 I HN 0.333 nan 8.210 nan 0.000 0.425 240 A N 0.479 123.335 122.820 0.060 0.000 2.475 240 A HA -0.132 4.189 4.320 0.002 0.000 0.295 240 A C -1.926 175.706 177.584 0.079 0.000 1.457 240 A CA 0.099 52.174 52.037 0.063 0.000 0.734 240 A CB -2.308 16.720 19.000 0.046 0.000 1.118 240 A HN 0.302 nan 8.150 nan 0.000 0.400 241 P HA 0.650 nan 4.420 nan 0.000 0.278 241 P C 0.235 177.569 177.300 0.056 0.000 1.266 241 P CA 0.519 63.665 63.100 0.077 0.000 0.807 241 P CB 1.316 33.048 31.700 0.053 0.000 1.094 242 T N -4.314 110.270 114.554 0.049 0.000 2.864 242 T HA 0.464 4.816 4.350 0.002 0.000 0.289 242 T C -2.293 172.423 174.700 0.027 0.000 1.082 242 T CA -2.087 60.035 62.100 0.037 0.000 1.009 242 T CB 1.115 70.006 68.868 0.038 0.000 1.234 242 T HN 0.002 nan 8.240 nan 0.000 0.526 243 P HA -0.018 nan 4.420 nan 0.000 0.218 243 P C 0.891 178.198 177.300 0.011 0.000 1.148 243 P CA 1.092 64.201 63.100 0.014 0.000 0.822 243 P CB 0.071 31.778 31.700 0.013 0.000 0.784 244 E N -1.554 118.654 120.200 0.015 0.000 2.170 244 E HA -0.009 4.342 4.350 0.002 0.000 0.191 244 E C 0.846 177.455 176.600 0.015 0.000 0.981 244 E CA 0.591 56.999 56.400 0.013 0.000 0.830 244 E CB -0.086 29.624 29.700 0.016 0.000 0.775 244 E HN -0.127 nan 8.360 nan 0.000 0.470 245 R N 1.196 121.712 120.500 0.027 0.000 2.868 245 R HA 0.281 4.622 4.340 0.002 0.000 0.289 245 R C -2.609 173.714 176.300 0.039 0.000 1.443 245 R CA -1.413 54.709 56.100 0.038 0.000 1.651 245 R CB 0.185 30.524 30.300 0.064 0.000 1.242 245 R HN 0.221 nan 8.270 nan 0.000 0.621 246 P HA 0.360 nan 4.420 nan 0.000 0.279 246 P C -0.192 177.094 177.300 -0.024 0.000 1.276 246 P CA -0.599 62.498 63.100 -0.005 0.000 0.801 246 P CB 1.139 32.828 31.700 -0.019 0.000 1.127 247 I N 0.147 120.661 120.570 -0.095 0.000 2.525 247 I HA 0.373 4.544 4.170 0.002 0.000 0.301 247 I C -0.408 175.533 176.117 -0.294 0.000 0.992 247 I CA -1.568 59.620 61.300 -0.186 0.000 1.162 247 I CB 0.993 38.791 38.000 -0.336 0.000 1.332 247 I HN 0.136 nan 8.210 nan 0.000 0.458 248 I N 7.152 127.568 120.570 -0.256 0.000 2.325 248 I HA 0.214 4.386 4.170 0.002 0.000 0.291 248 I C -0.839 175.078 176.117 -0.334 0.000 1.019 248 I CA -0.082 61.078 61.300 -0.232 0.000 1.302 248 I CB 0.567 38.475 38.000 -0.153 0.000 1.401 248 I HN 0.361 nan 8.210 nan 0.000 0.485 249 F N 4.934 124.879 119.950 -0.009 0.000 2.371 249 F HA 0.266 4.794 4.527 0.002 0.000 0.363 249 F C 0.555 176.297 175.800 -0.097 0.000 1.122 249 F CA -0.582 57.406 58.000 -0.020 0.000 1.129 249 F CB 0.743 39.753 39.000 0.016 0.000 1.173 249 F HN 0.474 nan 8.300 nan 0.000 0.489 250 N N 4.910 123.634 118.700 0.040 0.000 2.422 250 N HA 0.359 5.100 4.740 0.002 0.000 0.266 250 N C -1.198 174.248 175.510 -0.107 0.000 1.007 250 N CA -0.325 52.683 53.050 -0.070 0.000 0.941 250 N CB 0.760 39.138 38.487 -0.182 0.000 1.115 250 N HN 0.548 nan 8.380 nan 0.000 0.492 251 L N 5.642 126.776 121.223 -0.149 0.000 2.371 251 L HA 0.450 4.791 4.340 0.002 0.000 0.262 251 L C -2.144 174.702 176.870 -0.040 0.000 1.054 251 L CA -1.726 52.870 54.840 -0.407 0.000 0.924 251 L CB 1.041 42.574 42.059 -0.877 0.000 1.295 251 L HN 0.392 nan 8.230 nan 0.000 0.441 252 P HA 0.155 nan 4.420 nan 0.000 0.284 252 P C -0.391 177.157 177.300 0.413 0.000 1.253 252 P CA -0.467 62.787 63.100 0.257 0.000 0.800 252 P CB 1.788 33.535 31.700 0.077 0.000 0.961 253 A N 3.118 126.130 122.820 0.319 0.000 3.004 253 A HA 0.227 4.548 4.320 0.002 0.000 0.286 253 A C 1.488 179.242 177.584 0.283 0.000 1.632 253 A CA -0.084 52.084 52.037 0.219 0.000 1.339 253 A CB -1.222 17.721 19.000 -0.096 0.000 1.136 253 A HN 0.512 nan 8.150 nan 0.000 0.577 254 T N 0.140 114.851 114.554 0.261 0.000 2.665 254 T HA -0.093 4.258 4.350 0.002 0.000 0.268 254 T C 0.844 175.553 174.700 0.013 0.000 1.035 254 T CA 1.601 63.792 62.100 0.152 0.000 1.151 254 T CB -0.157 68.758 68.868 0.078 0.000 0.862 254 T HN 0.284 nan 8.240 nan 0.000 0.438 255 V N 1.798 121.754 119.914 0.070 0.000 2.398 255 V HA 0.264 4.385 4.120 0.002 0.000 0.286 255 V C 0.035 176.179 176.094 0.083 0.000 1.026 255 V CA -1.135 61.199 62.300 0.058 0.000 0.868 255 V CB 1.646 33.503 31.823 0.057 0.000 0.982 255 V HN 0.337 nan 8.190 nan 0.000 0.443 256 E N 4.330 124.564 120.200 0.057 0.000 2.081 256 E HA 0.147 4.499 4.350 0.002 0.000 0.270 256 E C 0.626 177.229 176.600 0.004 0.000 1.180 256 E CA -0.040 56.358 56.400 -0.003 0.000 0.926 256 E CB 0.569 30.249 29.700 -0.033 0.000 1.035 256 E HN 0.676 nan 8.360 nan 0.000 0.418 257 M N 2.736 122.343 119.600 0.011 0.000 2.492 257 M HA 0.072 4.553 4.480 0.002 0.000 0.255 257 M C 0.818 177.108 176.300 -0.017 0.000 1.139 257 M CA 0.473 55.816 55.300 0.072 0.000 1.096 257 M CB 0.813 33.558 32.600 0.241 0.000 1.360 257 M HN 0.455 nan 8.290 nan 0.000 0.480 258 T N -0.904 113.543 114.554 -0.179 0.000 2.637 258 T HA 0.225 4.576 4.350 0.002 0.000 0.303 258 T C -0.902 173.700 174.700 -0.165 0.000 1.288 258 T CA -0.543 61.429 62.100 -0.213 0.000 1.040 258 T CB 1.009 69.591 68.868 -0.476 0.000 1.644 258 T HN 0.253 nan 8.240 nan 0.000 0.480 259 T N 1.891 116.370 114.554 -0.125 0.000 2.926 259 T HA 0.297 4.649 4.350 0.002 0.000 0.307 259 T C -1.504 173.155 174.700 -0.070 0.000 1.059 259 T CA -0.832 61.227 62.100 -0.068 0.000 1.122 259 T CB 0.655 69.510 68.868 -0.020 0.000 0.972 259 T HN 0.462 nan 8.240 nan 0.000 0.545 260 P HA -0.142 nan 4.420 nan 0.000 0.222 260 P C 1.291 178.528 177.300 -0.106 0.000 1.147 260 P CA 0.939 64.008 63.100 -0.051 0.000 0.790 260 P CB -0.016 31.653 31.700 -0.052 0.000 0.780 261 N N 0.431 119.085 118.700 -0.076 0.000 2.244 261 N HA -0.079 4.662 4.740 0.002 0.000 0.183 261 N C 1.569 177.067 175.510 -0.021 0.000 1.016 261 N CA 1.068 54.077 53.050 -0.069 0.000 0.866 261 N CB -1.281 37.377 38.487 0.285 0.000 0.980 261 N HN 0.063 nan 8.380 nan 0.000 0.430 262 V N 0.516 120.420 119.914 -0.017 0.000 2.407 262 V HA -0.159 3.962 4.120 0.002 0.000 0.245 262 V C 2.219 178.284 176.094 -0.049 0.000 1.041 262 V CA 1.052 63.335 62.300 -0.029 0.000 1.040 262 V CB -0.973 30.766 31.823 -0.140 0.000 0.671 262 V HN 0.150 nan 8.190 nan 0.000 0.455 263 Y N 1.799 121.987 120.300 -0.186 0.000 2.081 263 Y HA -0.329 4.222 4.550 0.002 0.000 0.280 263 Y C 2.459 178.280 175.900 -0.132 0.000 1.163 263 Y CA 1.788 59.816 58.100 -0.119 0.000 1.135 263 Y CB -0.782 37.614 38.460 -0.108 0.000 0.970 263 Y HN 0.159 nan 8.280 nan 0.000 0.498 264 A N 0.036 122.672 122.820 -0.307 0.000 1.917 264 A HA -0.261 4.060 4.320 0.002 0.000 0.219 264 A C 2.011 179.314 177.584 -0.468 0.000 1.182 264 A CA 2.231 53.864 52.037 -0.674 0.000 0.633 264 A CB -0.987 17.084 19.000 -1.548 0.000 0.819 264 A HN 0.570 nan 8.150 nan 0.000 0.448 265 D N -0.386 119.921 120.400 -0.155 0.000 2.144 265 D HA -0.124 4.518 4.640 0.002 0.000 0.199 265 D C 2.495 178.883 176.300 0.146 0.000 0.984 265 D CA 1.749 55.868 54.000 0.198 0.000 0.834 265 D CB -0.273 40.680 40.800 0.254 0.000 0.955 265 D HN 0.600 nan 8.370 nan 0.000 0.465 266 S N 0.127 115.848 115.700 0.035 0.000 2.387 266 S HA -0.090 4.381 4.470 0.002 0.000 0.226 266 S C 2.008 176.699 174.600 0.152 0.000 1.026 266 S CA 0.431 58.691 58.200 0.100 0.000 0.972 266 S CB -0.169 63.059 63.200 0.048 0.000 0.814 266 S HN 0.056 nan 8.310 nan 0.000 0.477 267 I N 2.349 122.884 120.570 -0.058 0.000 2.252 267 I HA -0.038 4.133 4.170 0.002 0.000 0.245 267 I C 2.754 178.898 176.117 0.045 0.000 1.102 267 I CA 1.457 62.712 61.300 -0.074 0.000 1.385 267 I CB -1.584 36.272 38.000 -0.240 0.000 1.064 267 I HN 0.521 nan 8.210 nan 0.000 0.414 268 E N 0.070 120.323 120.200 0.088 0.000 2.085 268 E HA -0.297 4.055 4.350 0.002 0.000 0.194 268 E C 2.319 179.027 176.600 0.180 0.000 0.994 268 E CA 1.607 58.102 56.400 0.157 0.000 0.801 268 E CB -0.326 29.541 29.700 0.278 0.000 0.743 268 E HN 0.476 nan 8.360 nan 0.000 0.453 269 W N 0.295 121.636 121.300 0.069 0.000 2.363 269 W HA -0.185 4.476 4.660 0.002 0.000 0.296 269 W C 1.927 178.478 176.519 0.053 0.000 1.212 269 W CA 1.330 58.714 57.345 0.066 0.000 1.260 269 W CB 0.068 29.573 29.460 0.075 0.000 1.131 269 W HN 0.124 nan 8.180 nan 0.000 0.530 270 M N -0.635 119.132 119.600 0.277 0.000 2.236 270 M HA -0.129 4.353 4.480 0.002 0.000 0.266 270 M C 2.323 178.609 176.300 -0.024 0.000 1.070 270 M CA 1.544 56.933 55.300 0.148 0.000 1.137 270 M CB -1.591 31.135 32.600 0.209 0.000 1.378 270 M HN 0.027 nan 8.290 nan 0.000 0.426 271 S N 0.467 116.167 115.700 0.000 0.000 2.368 271 S HA -0.114 4.357 4.470 0.002 0.000 0.225 271 S C 1.962 176.521 174.600 -0.068 0.000 1.030 271 S CA 1.276 59.468 58.200 -0.014 0.000 0.999 271 S CB -0.016 63.191 63.200 0.012 0.000 0.844 271 S HN 0.455 nan 8.310 nan 0.000 0.459 272 R N 0.442 120.867 120.500 -0.125 0.000 2.236 272 R HA 0.224 4.565 4.340 0.002 0.000 0.208 272 R C 1.671 177.805 176.300 -0.276 0.000 1.036 272 R CA 0.915 56.911 56.100 -0.175 0.000 1.001 272 R CB -0.040 30.144 30.300 -0.193 0.000 0.896 272 R HN 0.405 nan 8.270 nan 0.000 0.464 273 N N -0.121 118.331 118.700 -0.415 0.000 2.397 273 N HA 0.101 4.843 4.740 0.002 0.000 0.190 273 N C 0.123 175.448 175.510 -0.309 0.000 1.099 273 N CA -0.066 52.665 53.050 -0.532 0.000 0.876 273 N CB 0.679 38.420 38.487 -1.243 0.000 1.143 273 N HN 0.023 nan 8.380 nan 0.000 0.468 274 L N 2.096 123.197 121.223 -0.204 0.000 2.593 274 L HA -0.054 4.288 4.340 0.002 0.000 0.287 274 L C 0.851 177.693 176.870 -0.046 0.000 1.243 274 L CA -0.300 54.486 54.840 -0.090 0.000 0.890 274 L CB 0.157 42.208 42.059 -0.014 0.000 1.134 274 L HN 0.093 nan 8.230 nan 0.000 0.502 275 A N 3.417 126.228 122.820 -0.016 0.000 2.445 275 A HA 0.142 4.463 4.320 0.002 0.000 0.242 275 A C 0.955 178.570 177.584 0.053 0.000 1.075 275 A CA 0.092 52.136 52.037 0.012 0.000 0.777 275 A CB 0.027 19.040 19.000 0.021 0.000 1.013 275 A HN 0.950 nan 8.150 nan 0.000 0.493 276 N N -0.962 117.761 118.700 0.039 0.000 2.738 276 N HA -0.174 4.568 4.740 0.002 0.000 0.249 276 N C 0.618 176.165 175.510 0.062 0.000 1.047 276 N CA 1.063 54.144 53.050 0.052 0.000 0.707 276 N CB -0.746 37.783 38.487 0.069 0.000 0.937 276 N HN 0.784 nan 8.380 nan 0.000 0.545 277 R N 1.247 121.771 120.500 0.040 0.000 2.152 277 R HA -0.096 4.246 4.340 0.002 0.000 0.232 277 R C 1.859 178.181 176.300 0.035 0.000 1.117 277 R CA 2.180 58.305 56.100 0.042 0.000 0.981 277 R CB -0.135 30.171 30.300 0.011 0.000 0.870 277 R HN 0.599 nan 8.270 nan 0.000 0.451 278 E N -0.758 119.458 120.200 0.025 0.000 2.358 278 E HA -0.022 4.330 4.350 0.002 0.000 0.195 278 E C 0.354 176.966 176.600 0.020 0.000 1.010 278 E CA 0.876 57.287 56.400 0.018 0.000 0.856 278 E CB -0.066 29.641 29.700 0.013 0.000 0.795 278 E HN 0.175 nan 8.360 nan 0.000 0.504 279 S N 0.549 116.266 115.700 0.029 0.000 2.583 279 S HA 0.270 4.742 4.470 0.002 0.000 0.239 279 S C -0.033 174.570 174.600 0.006 0.000 0.966 279 S CA -0.420 57.794 58.200 0.023 0.000 0.973 279 S CB 0.648 63.868 63.200 0.034 0.000 0.794 279 S HN 0.021 nan 8.310 nan 0.000 0.463 280 V N 2.302 122.226 119.914 0.016 0.000 2.487 280 V HA 0.447 4.569 4.120 0.002 0.000 0.298 280 V C -0.392 175.699 176.094 -0.006 0.000 1.028 280 V CA -0.732 61.569 62.300 0.003 0.000 0.860 280 V CB 1.665 33.566 31.823 0.129 0.000 0.991 280 V HN 0.327 nan 8.190 nan 0.000 0.427 281 I N 5.561 126.104 120.570 -0.047 0.000 2.291 281 I HA 0.234 4.405 4.170 0.002 0.000 0.292 281 I C -0.305 175.805 176.117 -0.011 0.000 1.064 281 I CA -0.454 60.827 61.300 -0.031 0.000 1.269 281 I CB 1.152 39.121 38.000 -0.052 0.000 1.418 281 I HN 0.376 nan 8.210 nan 0.000 0.485 282 L N 6.936 128.173 121.223 0.024 0.000 2.385 282 L HA 0.252 4.593 4.340 0.002 0.000 0.281 282 L C 0.282 177.157 176.870 0.008 0.000 1.106 282 L CA 0.712 55.575 54.840 0.039 0.000 0.856 282 L CB 0.659 42.748 42.059 0.049 0.000 1.186 282 L HN 0.536 nan 8.230 nan 0.000 0.453 283 S N 5.395 121.091 115.700 -0.006 0.000 2.472 283 S HA 0.726 5.197 4.470 0.002 0.000 0.303 283 S C -0.609 173.989 174.600 -0.003 0.000 1.099 283 S CA -0.760 57.425 58.200 -0.025 0.000 1.077 283 S CB 0.648 63.815 63.200 -0.055 0.000 1.031 283 S HN 0.520 nan 8.310 nan 0.000 0.487 284 L N 4.048 125.289 121.223 0.030 0.000 2.325 284 L HA 0.509 4.851 4.340 0.002 0.000 0.278 284 L C -0.460 176.481 176.870 0.119 0.000 1.023 284 L CA -0.729 54.182 54.840 0.119 0.000 0.811 284 L CB 1.558 43.718 42.059 0.168 0.000 1.249 284 L HN 0.835 nan 8.230 nan 0.000 0.431 285 H N 2.667 121.764 119.070 0.045 0.000 2.488 285 H HA 0.340 4.898 4.556 0.003 0.000 0.237 285 H C -2.668 172.601 175.328 -0.099 0.000 1.395 285 H CA -1.476 54.548 56.048 -0.040 0.000 1.491 285 H CB 1.059 30.805 29.762 -0.026 0.000 1.567 285 H HN 0.299 nan 8.280 nan 0.000 0.508 286 P HA 0.139 nan 4.420 nan 0.000 0.286 286 P C -0.307 176.793 177.300 -0.333 0.000 1.269 286 P CA -0.112 62.838 63.100 -0.251 0.000 0.787 286 P CB 0.992 32.502 31.700 -0.318 0.000 0.920 287 H N 1.777 120.817 119.070 -0.049 0.000 2.497 287 H HA 0.244 4.802 4.556 0.003 0.000 0.348 287 H C 0.268 175.558 175.328 -0.064 0.000 1.335 287 H CA -0.135 55.896 56.048 -0.029 0.000 1.395 287 H CB 0.938 30.713 29.762 0.022 0.000 1.658 287 H HN 0.305 nan 8.280 nan 0.000 0.613 288 N N 0.050 118.804 118.700 0.090 0.000 2.401 288 N HA 0.034 4.776 4.740 0.002 0.000 0.264 288 N C -0.221 175.296 175.510 0.012 0.000 1.238 288 N CA -0.078 52.981 53.050 0.016 0.000 0.889 288 N CB 0.079 38.570 38.487 0.006 0.000 1.196 288 N HN 0.434 nan 8.380 nan 0.000 0.511 289 D N -0.580 119.833 120.400 0.020 0.000 2.218 289 D HA -0.032 4.609 4.640 0.002 0.000 0.204 289 D C 1.236 177.526 176.300 -0.017 0.000 0.976 289 D CA 1.027 55.029 54.000 0.004 0.000 0.853 289 D CB 0.290 41.096 40.800 0.010 0.000 0.939 289 D HN 0.225 nan 8.370 nan 0.000 0.481 290 R N -0.801 119.684 120.500 -0.025 0.000 2.432 290 R HA 0.263 4.604 4.340 0.002 0.000 0.260 290 R C 0.897 177.176 176.300 -0.036 0.000 0.935 290 R CA 0.336 56.416 56.100 -0.034 0.000 1.080 290 R CB 0.968 31.245 30.300 -0.039 0.000 1.155 290 R HN 0.142 nan 8.270 nan 0.000 0.531 291 G N 1.419 110.198 108.800 -0.036 0.000 2.155 291 G HA2 -0.310 3.652 3.960 0.002 0.000 0.257 291 G HA3 -0.310 3.652 3.960 0.002 0.000 0.257 291 G C 0.581 175.455 174.900 -0.043 0.000 0.983 291 G CA 0.989 46.065 45.100 -0.040 0.000 0.676 291 G HN 0.421 nan 8.290 nan 0.000 0.528 292 T N -3.726 110.799 114.554 -0.049 0.000 3.380 292 T HA 0.708 5.059 4.350 0.002 0.000 0.289 292 T C 1.795 176.452 174.700 -0.072 0.000 1.012 292 T CA 0.916 62.985 62.100 -0.051 0.000 0.944 292 T CB 0.893 69.733 68.868 -0.047 0.000 1.172 292 T HN 1.230 nan 8.240 nan 0.000 0.502 293 A N 1.304 124.078 122.820 -0.077 0.000 1.898 293 A HA 0.105 4.427 4.320 0.002 0.000 0.216 293 A C 2.282 179.818 177.584 -0.079 0.000 1.181 293 A CA 1.395 53.368 52.037 -0.107 0.000 0.620 293 A CB -0.945 17.997 19.000 -0.098 0.000 0.819 293 A HN 0.423 nan 8.150 nan 0.000 0.442 294 V N -0.000 119.891 119.914 -0.039 0.000 2.287 294 V HA -0.303 3.818 4.120 0.002 0.000 0.248 294 V C 3.071 179.175 176.094 0.015 0.000 1.053 294 V CA 2.097 64.398 62.300 0.001 0.000 1.027 294 V CB -1.289 30.546 31.823 0.019 0.000 0.646 294 V HN 0.624 nan 8.190 nan 0.000 0.447 295 A N -0.136 122.685 122.820 0.000 0.000 1.902 295 A HA -0.138 4.183 4.320 0.002 0.000 0.217 295 A C 2.437 180.018 177.584 -0.005 0.000 1.181 295 A CA 2.204 54.246 52.037 0.009 0.000 0.623 295 A CB -0.827 18.172 19.000 -0.000 0.000 0.818 295 A HN 0.593 nan 8.150 nan 0.000 0.443 296 A N -0.102 122.693 122.820 -0.042 0.000 1.883 296 A HA 0.121 4.442 4.320 0.002 0.000 0.217 296 A C 2.535 180.174 177.584 0.092 0.000 1.186 296 A CA 2.288 54.308 52.037 -0.027 0.000 0.624 296 A CB -1.103 17.712 19.000 -0.310 0.000 0.822 296 A HN 1.100 nan 8.150 nan 0.000 0.444 297 A N -0.468 122.375 122.820 0.038 0.000 1.902 297 A HA -0.185 4.136 4.320 0.002 0.000 0.217 297 A C 1.968 179.634 177.584 0.137 0.000 1.181 297 A CA 1.801 53.896 52.037 0.097 0.000 0.623 297 A CB -0.522 18.512 19.000 0.056 0.000 0.818 297 A HN 0.638 nan 8.150 nan 0.000 0.443 298 E N -0.327 119.942 120.200 0.116 0.000 2.072 298 E HA -0.060 4.292 4.350 0.002 0.000 0.190 298 E C 2.008 178.685 176.600 0.128 0.000 0.982 298 E CA 0.890 57.383 56.400 0.156 0.000 0.803 298 E CB -0.193 29.588 29.700 0.135 0.000 0.755 298 E HN 0.595 nan 8.360 nan 0.000 0.453 299 L N -0.025 121.218 121.223 0.032 0.000 2.056 299 L HA -0.076 4.265 4.340 0.002 0.000 0.207 299 L C 2.536 179.294 176.870 -0.188 0.000 1.078 299 L CA 1.259 56.023 54.840 -0.127 0.000 0.749 299 L CB -0.691 41.135 42.059 -0.389 0.000 0.901 299 L HN 0.258 nan 8.230 nan 0.000 0.433 300 G N -0.669 108.093 108.800 -0.064 0.000 2.403 300 G HA2 -0.276 3.685 3.960 0.002 0.000 0.216 300 G HA3 -0.276 3.685 3.960 0.002 0.000 0.216 300 G C 1.577 176.522 174.900 0.075 0.000 1.154 300 G CA 0.233 45.305 45.100 -0.047 0.000 0.784 300 G HN 0.299 nan 8.290 nan 0.000 0.538 301 F N 2.051 121.988 119.950 -0.021 0.000 2.102 301 F HA -0.017 4.511 4.527 0.001 0.000 0.298 301 F C 2.912 178.716 175.800 0.006 0.000 1.105 301 F CA 1.236 59.222 58.000 -0.023 0.000 1.239 301 F CB 0.064 39.039 39.000 -0.041 0.000 0.991 301 F HN 0.247 nan 8.300 nan 0.000 0.474 302 A N 0.494 123.268 122.820 -0.077 0.000 1.958 302 A HA -0.240 4.081 4.320 0.002 0.000 0.221 302 A C 2.159 179.767 177.584 0.040 0.000 1.178 302 A CA 1.794 53.793 52.037 -0.062 0.000 0.642 302 A CB -1.473 17.605 19.000 0.130 0.000 0.816 302 A HN 0.522 nan 8.150 nan 0.000 0.453 303 A N -2.289 120.572 122.820 0.068 0.000 2.239 303 A HA 0.388 4.710 4.320 0.002 0.000 0.209 303 A C 1.768 179.388 177.584 0.060 0.000 1.171 303 A CA 1.380 53.488 52.037 0.118 0.000 0.768 303 A CB -0.762 18.218 19.000 -0.034 0.000 0.790 303 A HN 1.902 nan 8.150 nan 0.000 0.478 304 G N -2.604 106.200 108.800 0.007 0.000 2.205 304 G HA2 0.195 4.157 3.960 0.002 0.000 0.180 304 G HA3 0.195 4.157 3.960 0.002 0.000 0.180 304 G C 0.420 175.346 174.900 0.045 0.000 1.004 304 G CA 0.043 45.147 45.100 0.006 0.000 0.670 304 G HN 1.459 nan 8.290 nan 0.000 0.496 305 A N 0.403 123.275 122.820 0.088 0.000 2.507 305 A HA 0.499 4.821 4.320 0.002 0.000 0.235 305 A C 1.050 178.778 177.584 0.241 0.000 1.070 305 A CA 1.042 53.160 52.037 0.134 0.000 0.768 305 A CB 0.272 19.351 19.000 0.130 0.000 1.011 305 A HN 0.237 nan 8.150 nan 0.000 0.502 306 D N -0.168 120.309 120.400 0.127 0.000 2.379 306 D HA 0.122 4.764 4.640 0.002 0.000 0.208 306 D C 0.670 176.929 176.300 -0.068 0.000 1.065 306 D CA 0.536 54.593 54.000 0.094 0.000 0.848 306 D CB 0.407 41.227 40.800 0.034 0.000 0.949 306 D HN 0.600 nan 8.370 nan 0.000 0.509 307 R N 0.493 120.917 120.500 -0.126 0.000 2.663 307 R HA 0.502 4.843 4.340 0.002 0.000 0.267 307 R C -2.062 174.132 176.300 -0.176 0.000 1.038 307 R CA -0.502 55.480 56.100 -0.197 0.000 0.886 307 R CB 1.445 31.680 30.300 -0.108 0.000 1.249 307 R HN -0.178 nan 8.270 nan 0.000 0.463 308 I N 2.596 123.066 120.570 -0.166 0.000 2.500 308 I HA 0.269 4.440 4.170 0.002 0.000 0.286 308 I C -0.563 175.572 176.117 0.029 0.000 1.063 308 I CA -0.732 60.531 61.300 -0.062 0.000 1.062 308 I CB 2.260 40.218 38.000 -0.071 0.000 1.223 308 I HN 0.524 nan 8.210 nan 0.000 0.435 309 E N 4.540 124.720 120.200 -0.033 0.000 2.259 309 E HA 0.657 5.009 4.350 0.002 0.000 0.281 309 E C 0.112 176.560 176.600 -0.252 0.000 1.027 309 E CA -0.337 56.002 56.400 -0.102 0.000 0.838 309 E CB 2.106 31.774 29.700 -0.054 0.000 1.066 309 E HN 0.835 nan 8.360 nan 0.000 0.401 310 G N 1.067 109.738 108.800 -0.216 0.000 2.554 310 G HA2 0.407 4.368 3.960 0.002 0.000 0.306 310 G HA3 0.407 4.368 3.960 0.002 0.000 0.306 310 G C -1.446 173.327 174.900 -0.212 0.000 1.320 310 G CA -0.457 44.496 45.100 -0.245 0.000 0.800 310 G HN 0.590 nan 8.290 nan 0.000 0.481 311 C N -0.263 118.929 119.300 -0.179 0.000 2.712 311 C HA 0.649 5.110 4.460 0.002 0.000 0.308 311 C C 0.387 175.292 174.990 -0.141 0.000 1.201 311 C CA -0.627 58.303 59.018 -0.147 0.000 1.554 311 C CB 0.928 28.621 27.740 -0.077 0.000 2.117 311 C HN 0.703 nan 8.230 nan 0.000 0.480 312 L N 3.135 124.272 121.223 -0.144 0.000 2.584 312 L HA 0.118 4.460 4.340 0.002 0.000 0.272 312 L C 0.119 176.986 176.870 -0.005 0.000 1.195 312 L CA 0.516 55.274 54.840 -0.137 0.000 0.920 312 L CB -0.312 41.713 42.059 -0.055 0.000 1.173 312 L HN 0.790 nan 8.230 nan 0.000 0.489 313 F N 1.938 121.845 119.950 -0.072 0.000 3.057 313 F HA -0.226 4.303 4.527 0.004 0.000 0.287 313 F C 1.462 177.291 175.800 0.049 0.000 0.834 313 F CA 1.024 58.921 58.000 -0.171 0.000 1.147 313 F CB -2.056 36.732 39.000 -0.354 0.000 1.245 313 F HN 0.841 nan 8.300 nan 0.000 0.509 314 G N -0.142 108.758 108.800 0.165 0.000 2.160 314 G HA2 -0.380 3.582 3.960 0.002 0.000 0.251 314 G HA3 -0.380 3.582 3.960 0.002 0.000 0.251 314 G C 0.114 175.072 174.900 0.096 0.000 1.008 314 G CA 0.238 45.420 45.100 0.137 0.000 0.724 314 G HN 0.768 nan 8.290 nan 0.000 0.514 315 N N 0.618 119.363 118.700 0.075 0.000 2.482 315 N HA 0.600 5.342 4.740 0.002 0.000 0.260 315 N C 0.704 176.245 175.510 0.051 0.000 1.236 315 N CA 1.708 54.795 53.050 0.062 0.000 0.938 315 N CB 0.876 39.392 38.487 0.047 0.000 1.128 315 N HN 1.403 nan 8.380 nan 0.000 0.448 316 G N -0.755 108.089 108.800 0.072 0.000 2.359 316 G HA2 0.367 4.328 3.960 0.002 0.000 0.293 316 G HA3 0.367 4.328 3.960 0.002 0.000 0.293 316 G C -1.205 173.761 174.900 0.111 0.000 1.300 316 G CA -0.220 44.948 45.100 0.112 0.000 0.888 316 G HN 0.721 nan 8.290 nan 0.000 0.541 317 E N -0.037 120.236 120.200 0.120 0.000 2.529 317 E HA 0.470 4.822 4.350 0.002 0.000 0.259 317 E C 1.346 177.972 176.600 0.042 0.000 0.966 317 E CA 1.498 57.928 56.400 0.049 0.000 0.937 317 E CB -0.193 29.491 29.700 -0.026 0.000 0.923 317 E HN 1.263 nan 8.360 nan 0.000 0.468 318 R N -0.122 120.392 120.500 0.023 0.000 3.951 318 R HA -0.282 4.059 4.340 0.002 0.000 0.335 318 R C 2.181 178.501 176.300 0.032 0.000 0.258 318 R CA 2.779 58.889 56.100 0.017 0.000 1.115 318 R CB -2.055 28.244 30.300 -0.002 0.000 0.967 318 R HN 1.032 nan 8.270 nan 0.000 0.574 319 T N -0.301 114.276 114.554 0.039 0.000 3.113 319 T HA 0.366 4.718 4.350 0.002 0.000 0.256 319 T C 0.928 175.671 174.700 0.072 0.000 1.131 319 T CA 0.989 63.114 62.100 0.041 0.000 1.074 319 T CB 0.489 69.374 68.868 0.027 0.000 0.944 319 T HN 1.235 nan 8.240 nan 0.000 0.516 320 G N 0.830 109.706 108.800 0.126 0.000 2.525 320 G HA2 -0.082 3.879 3.960 0.002 0.000 0.685 320 G HA3 -0.082 3.879 3.960 0.002 0.000 0.685 320 G C -1.252 173.732 174.900 0.140 0.000 1.290 320 G CA -0.848 44.333 45.100 0.134 0.000 0.915 320 G HN 0.426 nan 8.290 nan 0.000 0.548 321 N N -1.038 117.661 118.700 -0.002 0.000 2.495 321 N HA 0.419 5.160 4.740 0.002 0.000 0.280 321 N C 0.618 176.022 175.510 -0.177 0.000 1.168 321 N CA -0.187 52.706 53.050 -0.262 0.000 0.978 321 N CB 2.151 40.468 38.487 -0.283 0.000 1.191 321 N HN 0.722 nan 8.380 nan 0.000 0.497 322 V N 1.309 121.086 119.914 -0.228 0.000 2.752 322 V HA -0.155 3.966 4.120 0.002 0.000 0.306 322 V C 0.438 176.484 176.094 -0.080 0.000 1.099 322 V CA -0.009 62.217 62.300 -0.123 0.000 1.240 322 V CB 0.139 31.895 31.823 -0.112 0.000 0.887 322 V HN 0.764 nan 8.190 nan 0.000 0.499 323 C N 7.527 126.814 119.300 -0.022 0.000 2.555 323 C HA 0.306 4.767 4.460 0.002 0.000 0.385 323 C C 1.538 176.486 174.990 -0.070 0.000 1.296 323 C CA -0.528 58.485 59.018 -0.009 0.000 1.757 323 C CB -1.418 26.392 27.740 0.116 0.000 2.445 323 C HN 0.980 nan 8.230 nan 0.000 0.571 324 L N 5.251 126.388 121.223 -0.144 0.000 2.201 324 L HA -0.071 4.271 4.340 0.002 0.000 0.212 324 L C 2.306 179.005 176.870 -0.284 0.000 1.105 324 L CA 0.908 55.610 54.840 -0.229 0.000 0.775 324 L CB -0.382 41.517 42.059 -0.266 0.000 0.913 324 L HN 0.721 nan 8.230 nan 0.000 0.440 325 V N -0.654 119.068 119.914 -0.320 0.000 2.307 325 V HA -0.255 3.866 4.120 0.002 0.000 0.245 325 V C 2.517 178.307 176.094 -0.506 0.000 1.045 325 V CA 2.348 64.327 62.300 -0.534 0.000 1.024 325 V CB -0.836 30.504 31.823 -0.806 0.000 0.651 325 V HN 0.463 nan 8.190 nan 0.000 0.449 326 T N 0.463 114.922 114.554 -0.158 0.000 2.777 326 T HA -0.085 4.266 4.350 0.002 0.000 0.266 326 T C 1.928 176.628 174.700 0.000 0.000 1.040 326 T CA 1.393 63.538 62.100 0.075 0.000 1.141 326 T CB -0.287 68.669 68.868 0.146 0.000 0.868 326 T HN 0.268 nan 8.240 nan 0.000 0.444 327 L N 0.696 121.906 121.223 -0.022 0.000 2.046 327 L HA 0.004 4.346 4.340 0.002 0.000 0.208 327 L C 3.004 179.939 176.870 0.108 0.000 1.077 327 L CA 1.349 56.254 54.840 0.108 0.000 0.747 327 L CB -0.938 41.279 42.059 0.264 0.000 0.896 327 L HN 0.367 nan 8.230 nan 0.000 0.432 328 G N -0.018 108.677 108.800 -0.176 0.000 2.404 328 G HA2 -0.197 3.764 3.960 0.002 0.000 0.215 328 G HA3 -0.197 3.764 3.960 0.002 0.000 0.215 328 G C 1.580 176.323 174.900 -0.263 0.000 1.174 328 G CA 0.496 45.507 45.100 -0.148 0.000 0.780 328 G HN 0.234 nan 8.290 nan 0.000 0.537 329 L N 0.391 121.176 121.223 -0.730 0.000 2.217 329 L HA 0.036 4.377 4.340 0.002 0.000 0.211 329 L C 2.495 179.166 176.870 -0.331 0.000 1.107 329 L CA 0.230 54.641 54.840 -0.717 0.000 0.783 329 L CB -0.309 40.786 42.059 -1.607 0.000 0.919 329 L HN 0.080 nan 8.230 nan 0.000 0.442 330 N N 0.218 118.839 118.700 -0.131 0.000 2.205 330 N HA -0.149 4.593 4.740 0.002 0.000 0.186 330 N C 1.817 177.402 175.510 0.126 0.000 1.015 330 N CA 1.205 54.336 53.050 0.134 0.000 0.862 330 N CB -0.173 38.419 38.487 0.175 0.000 0.986 330 N HN 0.294 nan 8.380 nan 0.000 0.429 331 L N -1.028 120.274 121.223 0.132 0.000 2.034 331 L HA -0.058 4.283 4.340 0.002 0.000 0.203 331 L C 2.061 179.018 176.870 0.145 0.000 1.074 331 L CA 0.756 55.692 54.840 0.161 0.000 0.748 331 L CB -0.672 41.526 42.059 0.231 0.000 0.905 331 L HN 0.030 nan 8.230 nan 0.000 0.439 332 F N 1.808 121.759 119.950 0.001 0.000 2.063 332 F HA -0.375 4.155 4.527 0.005 0.000 0.298 332 F C 2.771 178.574 175.800 0.006 0.000 1.105 332 F CA 2.078 60.073 58.000 -0.009 0.000 1.215 332 F CB -0.544 38.414 39.000 -0.069 0.000 0.972 332 F HN 0.166 nan 8.300 nan 0.000 0.483 333 S N -0.552 115.080 115.700 -0.113 0.000 2.555 333 S HA -0.021 4.451 4.470 0.002 0.000 0.230 333 S C 1.585 176.133 174.600 -0.086 0.000 0.978 333 S CA 0.403 58.510 58.200 -0.154 0.000 0.934 333 S CB -0.377 62.908 63.200 0.141 0.000 0.766 333 S HN 0.441 nan 8.310 nan 0.000 0.533 334 R N 0.357 120.829 120.500 -0.045 0.000 2.577 334 R HA 0.311 4.652 4.340 0.002 0.000 0.344 334 R C 1.156 177.439 176.300 -0.029 0.000 1.037 334 R CA 0.464 56.557 56.100 -0.013 0.000 1.102 334 R CB 0.202 30.525 30.300 0.038 0.000 1.313 334 R HN 0.573 nan 8.270 nan 0.000 0.561 335 G N 0.755 109.502 108.800 -0.087 0.000 2.141 335 G HA2 -0.242 3.719 3.960 0.002 0.000 0.242 335 G HA3 -0.242 3.719 3.960 0.002 0.000 0.242 335 G C -0.022 174.875 174.900 -0.004 0.000 0.982 335 G CA 0.110 45.168 45.100 -0.070 0.000 0.662 335 G HN 0.122 nan 8.290 nan 0.000 0.527 336 V N 0.935 120.873 119.914 0.039 0.000 2.398 336 V HA 0.477 4.599 4.120 0.002 0.000 0.286 336 V C 0.226 176.406 176.094 0.143 0.000 1.026 336 V CA -0.834 61.518 62.300 0.087 0.000 0.868 336 V CB 1.807 33.694 31.823 0.107 0.000 0.982 336 V HN 0.322 nan 8.190 nan 0.000 0.443 337 D N 7.648 128.131 120.400 0.138 0.000 2.363 337 D HA 0.117 4.758 4.640 0.002 0.000 0.263 337 D C -1.091 175.330 176.300 0.202 0.000 1.258 337 D CA -1.594 52.509 54.000 0.172 0.000 0.907 337 D CB 1.535 42.406 40.800 0.118 0.000 1.107 337 D HN 0.279 nan 8.370 nan 0.000 0.495 338 P HA -0.128 nan 4.420 nan 0.000 0.226 338 P C -0.118 177.397 177.300 0.358 0.000 1.153 338 P CA 0.698 64.028 63.100 0.383 0.000 0.777 338 P CB 0.179 32.127 31.700 0.413 0.000 0.794 339 Q N -2.028 117.866 119.800 0.156 0.000 2.465 339 Q HA -0.125 4.217 4.340 0.002 0.000 0.248 339 Q C -0.273 175.658 176.000 -0.116 0.000 0.819 339 Q CA 0.442 56.274 55.803 0.048 0.000 1.219 339 Q CB -1.453 27.335 28.738 0.084 0.000 1.472 339 Q HN 0.332 nan 8.270 nan 0.000 0.630 340 I N 0.446 120.877 120.570 -0.232 0.000 2.582 340 I HA 0.289 4.460 4.170 0.002 0.000 0.292 340 I C -0.072 175.620 176.117 -0.707 0.000 1.066 340 I CA -0.823 60.091 61.300 -0.642 0.000 1.053 340 I CB 1.849 39.234 38.000 -1.025 0.000 1.241 340 I HN -0.084 nan 8.210 nan 0.000 0.421 341 D N 4.428 124.397 120.400 -0.719 0.000 2.317 341 D HA 0.368 5.009 4.640 0.002 0.000 0.252 341 D C -0.409 175.415 176.300 -0.794 0.000 1.174 341 D CA 0.290 53.944 54.000 -0.577 0.000 0.866 341 D CB 0.434 41.026 40.800 -0.347 0.000 1.127 341 D HN 0.265 nan 8.370 nan 0.000 0.467 342 F N 1.365 121.147 119.950 -0.280 0.000 2.814 342 F HA 0.115 4.642 4.527 -0.000 0.000 0.326 342 F C 1.942 177.594 175.800 -0.247 0.000 1.159 342 F CA -0.370 57.472 58.000 -0.263 0.000 1.234 342 F CB 0.146 38.943 39.000 -0.338 0.000 1.016 342 F HN 0.362 nan 8.300 nan 0.000 0.510 343 S N -0.864 114.769 115.700 -0.112 0.000 2.561 343 S HA -0.016 4.455 4.470 0.002 0.000 0.225 343 S C 0.757 175.319 174.600 -0.063 0.000 0.977 343 S CA 0.494 58.624 58.200 -0.117 0.000 0.926 343 S CB -0.209 62.916 63.200 -0.124 0.000 0.769 343 S HN 0.265 nan 8.310 nan 0.000 0.533 344 N N 0.758 119.439 118.700 -0.032 0.000 2.804 344 N HA 0.330 5.072 4.740 0.002 0.000 0.251 344 N C 0.079 175.621 175.510 0.053 0.000 1.250 344 N CA -0.378 52.674 53.050 0.003 0.000 0.820 344 N CB 0.549 39.033 38.487 -0.005 0.000 1.156 344 N HN 0.340 nan 8.380 nan 0.000 0.512 345 I N 0.741 121.365 120.570 0.090 0.000 2.439 345 I HA -0.150 4.021 4.170 0.002 0.000 0.251 345 I C 0.690 176.924 176.117 0.194 0.000 1.139 345 I CA 0.923 62.331 61.300 0.181 0.000 1.438 345 I CB 0.408 38.544 38.000 0.228 0.000 1.085 345 I HN 0.266 nan 8.210 nan 0.000 0.427 346 D N 0.678 121.155 120.400 0.127 0.000 2.144 346 D HA -0.246 4.395 4.640 0.002 0.000 0.199 346 D C 1.949 178.295 176.300 0.076 0.000 0.984 346 D CA 1.042 55.098 54.000 0.093 0.000 0.834 346 D CB -0.111 40.730 40.800 0.067 0.000 0.955 346 D HN 0.457 nan 8.370 nan 0.000 0.465 347 E N 0.292 120.533 120.200 0.067 0.000 2.051 347 E HA -0.165 4.186 4.350 0.002 0.000 0.192 347 E C 2.192 178.840 176.600 0.080 0.000 0.991 347 E CA 0.761 57.194 56.400 0.055 0.000 0.799 347 E CB -0.076 29.643 29.700 0.032 0.000 0.748 347 E HN 0.245 nan 8.360 nan 0.000 0.449 348 I N 0.670 121.309 120.570 0.114 0.000 2.127 348 I HA -0.312 3.860 4.170 0.002 0.000 0.241 348 I C 2.935 179.192 176.117 0.234 0.000 1.075 348 I CA 1.463 62.867 61.300 0.173 0.000 1.334 348 I CB -0.457 37.671 38.000 0.213 0.000 1.040 348 I HN 0.109 nan 8.210 nan 0.000 0.405 349 R N 1.130 121.772 120.500 0.236 0.000 2.083 349 R HA -0.189 4.153 4.340 0.002 0.000 0.237 349 R C 2.529 178.822 176.300 -0.012 0.000 1.137 349 R CA 1.637 57.749 56.100 0.021 0.000 0.951 349 R CB -0.159 30.059 30.300 -0.136 0.000 0.851 349 R HN 0.278 nan 8.270 nan 0.000 0.434 350 R N -0.738 119.780 120.500 0.030 0.000 2.081 350 R HA -0.078 4.263 4.340 0.002 0.000 0.235 350 R C 2.263 178.618 176.300 0.092 0.000 1.131 350 R CA 2.090 58.213 56.100 0.038 0.000 0.960 350 R CB -0.303 30.016 30.300 0.032 0.000 0.856 350 R HN 0.316 nan 8.270 nan 0.000 0.436 351 T N 0.560 115.179 114.554 0.107 0.000 2.708 351 T HA -0.098 4.254 4.350 0.002 0.000 0.266 351 T C 1.981 176.787 174.700 0.177 0.000 1.037 351 T CA 1.287 63.486 62.100 0.166 0.000 1.146 351 T CB -0.208 68.736 68.868 0.126 0.000 0.865 351 T HN -0.011 nan 8.240 nan 0.000 0.435 352 V N 1.659 121.649 119.914 0.126 0.000 2.287 352 V HA -0.194 3.927 4.120 0.002 0.000 0.248 352 V C 2.518 178.636 176.094 0.039 0.000 1.053 352 V CA 1.750 64.108 62.300 0.097 0.000 1.027 352 V CB -0.591 31.338 31.823 0.178 0.000 0.646 352 V HN 0.555 nan 8.190 nan 0.000 0.447 353 E N -1.020 119.193 120.200 0.021 0.000 2.072 353 E HA -0.233 4.118 4.350 0.002 0.000 0.191 353 E C 2.111 178.736 176.600 0.041 0.000 0.985 353 E CA 1.445 57.844 56.400 -0.000 0.000 0.801 353 E CB -0.302 29.383 29.700 -0.026 0.000 0.750 353 E HN 0.726 nan 8.360 nan 0.000 0.452 354 Y N 1.497 121.788 120.300 -0.014 0.000 2.040 354 Y HA -0.377 4.175 4.550 0.002 0.000 0.275 354 Y C 2.242 178.139 175.900 -0.005 0.000 1.171 354 Y CA 1.534 59.631 58.100 -0.006 0.000 1.123 354 Y CB -0.807 37.654 38.460 0.001 0.000 0.963 354 Y HN 0.060 nan 8.280 nan 0.000 0.493 355 C N 0.844 119.932 119.300 -0.353 0.000 2.436 355 C HA -0.165 4.297 4.460 0.002 0.000 0.277 355 C C 2.403 177.246 174.990 -0.245 0.000 1.241 355 C CA 1.504 60.288 59.018 -0.391 0.000 1.721 355 C CB -1.286 26.363 27.740 -0.153 0.000 2.043 355 C HN 0.653 nan 8.230 nan 0.000 0.472 356 N N -0.037 118.587 118.700 -0.126 0.000 2.415 356 N HA -0.020 4.721 4.740 0.002 0.000 0.176 356 N C 0.501 175.965 175.510 -0.077 0.000 1.042 356 N CA 0.351 53.351 53.050 -0.083 0.000 0.902 356 N CB -0.423 38.043 38.487 -0.035 0.000 0.986 356 N HN 0.595 nan 8.380 nan 0.000 0.447 357 Q N -0.261 119.491 119.800 -0.079 0.000 2.475 357 Q HA -0.155 4.187 4.340 0.002 0.000 0.280 357 Q C -1.125 174.858 176.000 -0.028 0.000 1.234 357 Q CA 0.496 56.269 55.803 -0.050 0.000 0.873 357 Q CB -1.570 27.133 28.738 -0.059 0.000 1.256 357 Q HN 0.360 nan 8.270 nan 0.000 0.475 358 L N 0.266 121.473 121.223 -0.026 0.000 2.455 358 L HA 0.590 4.931 4.340 0.002 0.000 0.264 358 L C -2.182 174.670 176.870 -0.030 0.000 0.968 358 L CA -2.020 52.809 54.840 -0.017 0.000 0.827 358 L CB 2.065 44.120 42.059 -0.007 0.000 1.317 358 L HN -0.118 nan 8.230 nan 0.000 0.407 359 P HA 0.158 nan 4.420 nan 0.000 0.278 359 P C -0.649 176.604 177.300 -0.078 0.000 1.238 359 P CA -0.341 62.727 63.100 -0.053 0.000 0.794 359 P CB 1.555 33.241 31.700 -0.023 0.000 0.955 360 V N 3.864 123.661 119.914 -0.194 0.000 2.508 360 V HA 0.009 4.131 4.120 0.002 0.000 0.281 360 V C 1.309 177.362 176.094 -0.067 0.000 1.041 360 V CA -0.222 61.916 62.300 -0.270 0.000 1.016 360 V CB -0.660 30.686 31.823 -0.795 0.000 0.984 360 V HN 0.635 nan 8.190 nan 0.000 0.478 361 H N 3.323 122.390 119.070 -0.005 0.000 2.948 361 H HA -0.024 4.533 4.556 0.002 0.000 0.351 361 H C 1.091 176.435 175.328 0.027 0.000 1.079 361 H CA 0.100 56.165 56.048 0.028 0.000 1.407 361 H CB 0.926 30.729 29.762 0.069 0.000 1.373 361 H HN 0.787 nan 8.280 nan 0.000 0.605 362 E N 2.915 122.792 120.200 -0.538 0.000 2.169 362 E HA -0.221 4.130 4.350 0.002 0.000 0.202 362 E C 1.496 177.977 176.600 -0.197 0.000 1.016 362 E CA 1.617 57.798 56.400 -0.365 0.000 0.817 362 E CB 0.093 29.543 29.700 -0.417 0.000 0.736 362 E HN 0.568 nan 8.360 nan 0.000 0.462 363 R N -0.198 120.206 120.500 -0.159 0.000 2.393 363 R HA 0.121 4.462 4.340 0.002 0.000 0.244 363 R C -0.074 176.282 176.300 0.094 0.000 0.920 363 R CA -0.170 55.944 56.100 0.025 0.000 1.076 363 R CB -0.142 30.212 30.300 0.089 0.000 1.119 363 R HN 0.285 nan 8.270 nan 0.000 0.524 364 H N 2.770 121.891 119.070 0.085 0.000 3.070 364 H HA 0.042 4.599 4.556 0.002 0.000 0.313 364 H C -2.159 173.220 175.328 0.085 0.000 0.997 364 H CA -1.056 55.071 56.048 0.133 0.000 1.438 364 H CB 0.633 30.513 29.762 0.197 0.000 1.455 364 H HN -0.132 nan 8.280 nan 0.000 0.575 365 P HA -0.136 nan 4.420 nan 0.000 0.262 365 P C -0.509 176.886 177.300 0.157 0.000 1.182 365 P CA 0.765 63.809 63.100 -0.094 0.000 0.761 365 P CB 0.144 31.735 31.700 -0.181 0.000 0.795 366 Y N 1.225 121.580 120.300 0.092 0.000 3.035 366 Y HA -0.297 4.255 4.550 0.003 0.000 0.474 366 Y C 1.901 177.958 175.900 0.261 0.000 1.222 366 Y CA 2.193 60.376 58.100 0.138 0.000 2.575 366 Y CB -2.345 36.164 38.460 0.081 0.000 0.874 366 Y HN 0.530 nan 8.280 nan 0.000 0.516 367 G N -0.423 108.668 108.800 0.484 0.000 2.944 367 G HA2 0.428 4.390 3.960 0.002 0.000 0.220 367 G HA3 0.428 4.390 3.960 0.002 0.000 0.220 367 G C 0.895 175.909 174.900 0.190 0.000 1.100 367 G CA 0.335 45.714 45.100 0.464 0.000 0.780 367 G HN 0.698 nan 8.290 nan 0.000 0.539 368 G N 0.481 109.374 108.800 0.154 0.000 2.491 368 G HA2 0.304 4.266 3.960 0.002 0.000 0.242 368 G HA3 0.304 4.266 3.960 0.002 0.000 0.242 368 G C 0.537 175.451 174.900 0.023 0.000 1.266 368 G CA -0.090 45.034 45.100 0.040 0.000 0.844 368 G HN -0.012 nan 8.290 nan 0.000 0.571 369 D N 0.956 121.352 120.400 -0.007 0.000 2.200 369 D HA -0.176 4.465 4.640 0.002 0.000 0.192 369 D C 2.220 178.545 176.300 0.042 0.000 1.008 369 D CA 1.301 55.310 54.000 0.015 0.000 0.872 369 D CB 0.085 40.872 40.800 -0.020 0.000 0.923 369 D HN 0.353 nan 8.370 nan 0.000 0.447 370 L N 0.566 121.799 121.223 0.016 0.000 2.628 370 L HA 0.067 4.409 4.340 0.002 0.000 0.229 370 L C 1.970 178.857 176.870 0.028 0.000 1.137 370 L CA -0.113 54.765 54.840 0.063 0.000 0.909 370 L CB 0.359 42.454 42.059 0.060 0.000 1.137 370 L HN -0.052 nan 8.230 nan 0.000 0.470 371 V N -3.896 115.966 119.914 -0.086 0.000 3.461 371 V HA -0.071 4.050 4.120 0.002 0.000 0.267 371 V C 0.973 176.789 176.094 -0.463 0.000 1.186 371 V CA 0.931 63.053 62.300 -0.296 0.000 1.154 371 V CB -0.677 30.916 31.823 -0.383 0.000 0.802 371 V HN 0.357 nan 8.190 nan 0.000 0.474 372 Y N 1.352 121.744 120.300 0.153 0.000 2.706 372 Y HA 0.443 4.994 4.550 0.002 0.000 0.255 372 Y C 1.168 177.208 175.900 0.233 0.000 1.163 372 Y CA -0.266 57.961 58.100 0.211 0.000 1.174 372 Y CB -0.094 38.475 38.460 0.183 0.000 1.200 372 Y HN 0.373 nan 8.280 nan 0.000 0.544 373 T N -1.269 113.428 114.554 0.239 0.000 2.934 373 T HA 0.867 5.219 4.350 0.002 0.000 0.283 373 T C -0.106 174.749 174.700 0.258 0.000 1.005 373 T CA -0.689 61.513 62.100 0.169 0.000 1.041 373 T CB 2.220 71.151 68.868 0.106 0.000 1.042 373 T HN 0.177 nan 8.240 nan 0.000 0.505 374 A N 1.215 124.133 122.820 0.163 0.000 2.374 374 A HA 0.739 5.060 4.320 0.002 0.000 0.305 374 A C -0.293 177.306 177.584 0.026 0.000 1.053 374 A CA -0.876 51.301 52.037 0.232 0.000 0.726 374 A CB 0.797 20.015 19.000 0.364 0.000 1.229 374 A HN 0.762 nan 8.150 nan 0.000 0.431 375 F N 1.179 121.132 119.950 0.005 0.000 2.622 375 F HA 0.179 4.707 4.527 0.002 0.000 0.288 375 F C 1.755 177.502 175.800 -0.089 0.000 1.120 375 F CA 0.808 58.783 58.000 -0.041 0.000 1.423 375 F CB 0.351 39.320 39.000 -0.052 0.000 1.127 375 F HN 0.513 nan 8.300 nan 0.000 0.588 376 S N 0.500 116.202 115.700 0.002 0.000 2.531 376 S HA 0.302 4.773 4.470 0.002 0.000 0.279 376 S C 1.524 176.062 174.600 -0.104 0.000 1.305 376 S CA 0.082 58.170 58.200 -0.186 0.000 1.058 376 S CB 1.122 63.910 63.200 -0.688 0.000 0.899 376 S HN 0.376 nan 8.310 nan 0.000 0.493 377 G N 3.343 112.102 108.800 -0.068 0.000 2.446 377 G HA2 -0.217 3.745 3.960 0.002 0.000 0.217 377 G HA3 -0.217 3.745 3.960 0.002 0.000 0.217 377 G C 1.701 176.600 174.900 -0.002 0.000 1.168 377 G CA 1.031 46.119 45.100 -0.021 0.000 0.771 377 G HN 0.998 nan 8.290 nan 0.000 0.551 378 S N -0.072 115.618 115.700 -0.017 0.000 2.383 378 S HA -0.100 4.372 4.470 0.002 0.000 0.227 378 S C 1.911 176.571 174.600 0.100 0.000 1.026 378 S CA 1.357 59.585 58.200 0.046 0.000 0.981 378 S CB -0.833 62.406 63.200 0.065 0.000 0.818 378 S HN 0.673 nan 8.310 nan 0.000 0.472 379 H N 1.639 120.577 119.070 -0.221 0.000 2.319 379 H HA -0.083 4.475 4.556 0.003 0.000 0.299 379 H C 2.615 177.880 175.328 -0.105 0.000 1.092 379 H CA 1.553 57.341 56.048 -0.433 0.000 1.302 379 H CB -0.170 29.173 29.762 -0.699 0.000 1.373 379 H HN 0.502 nan 8.280 nan 0.000 0.497 380 Q N 0.538 120.404 119.800 0.111 0.000 2.061 380 Q HA -0.171 4.171 4.340 0.002 0.000 0.204 380 Q C 1.819 177.884 176.000 0.109 0.000 0.984 380 Q CA 1.680 57.574 55.803 0.151 0.000 0.846 380 Q CB 0.051 28.866 28.738 0.128 0.000 0.902 380 Q HN 0.466 nan 8.270 nan 0.000 0.421 381 D N 0.068 120.517 120.400 0.081 0.000 2.117 381 D HA -0.106 4.535 4.640 0.002 0.000 0.198 381 D C 1.744 178.082 176.300 0.063 0.000 0.982 381 D CA 1.311 55.349 54.000 0.064 0.000 0.828 381 D CB -0.253 40.577 40.800 0.051 0.000 0.967 381 D HN 0.281 nan 8.370 nan 0.000 0.464 382 A N 0.608 123.486 122.820 0.097 0.000 1.877 382 A HA -0.138 4.183 4.320 0.002 0.000 0.216 382 A C 2.357 179.972 177.584 0.053 0.000 1.186 382 A CA 0.930 53.034 52.037 0.112 0.000 0.620 382 A CB -0.791 18.371 19.000 0.270 0.000 0.822 382 A HN 0.188 nan 8.150 nan 0.000 0.443 383 I N 0.365 120.968 120.570 0.054 0.000 2.151 383 I HA -0.324 3.847 4.170 0.002 0.000 0.243 383 I C 2.097 178.150 176.117 -0.105 0.000 1.080 383 I CA 1.463 62.709 61.300 -0.091 0.000 1.339 383 I CB -0.474 37.362 38.000 -0.272 0.000 1.039 383 I HN 0.326 nan 8.210 nan 0.000 0.409 384 N N 0.930 119.616 118.700 -0.024 0.000 2.166 384 N HA -0.174 4.568 4.740 0.002 0.000 0.186 384 N C 1.778 177.277 175.510 -0.018 0.000 1.019 384 N CA 1.297 54.350 53.050 0.006 0.000 0.856 384 N CB -0.262 38.254 38.487 0.049 0.000 0.993 384 N HN 0.378 nan 8.380 nan 0.000 0.426 385 K N 0.147 120.534 120.400 -0.021 0.000 2.057 385 K HA 0.018 4.339 4.320 0.002 0.000 0.206 385 K C 2.138 178.693 176.600 -0.076 0.000 1.050 385 K CA 1.155 57.421 56.287 -0.035 0.000 0.935 385 K CB -0.392 32.095 32.500 -0.021 0.000 0.715 385 K HN 0.186 nan 8.250 nan 0.000 0.439 386 G N 1.297 110.027 108.800 -0.115 0.000 2.446 386 G HA2 -0.243 3.719 3.960 0.002 0.000 0.217 386 G HA3 -0.243 3.719 3.960 0.002 0.000 0.217 386 G C 1.464 176.228 174.900 -0.227 0.000 1.168 386 G CA 0.729 45.712 45.100 -0.196 0.000 0.771 386 G HN 0.092 nan 8.290 nan 0.000 0.551 387 L N 0.450 121.554 121.223 -0.198 0.000 2.012 387 L HA -0.111 4.230 4.340 0.002 0.000 0.210 387 L C 2.657 179.482 176.870 -0.074 0.000 1.073 387 L CA 1.439 56.194 54.840 -0.142 0.000 0.748 387 L CB -0.507 41.518 42.059 -0.056 0.000 0.891 387 L HN 0.109 nan 8.230 nan 0.000 0.431 388 D N 0.258 120.628 120.400 -0.050 0.000 2.116 388 D HA -0.206 4.436 4.640 0.002 0.000 0.193 388 D C 2.216 178.492 176.300 -0.040 0.000 0.998 388 D CA 1.703 55.685 54.000 -0.030 0.000 0.836 388 D CB -0.172 40.617 40.800 -0.018 0.000 0.951 388 D HN 0.345 nan 8.370 nan 0.000 0.449 389 A N 0.608 123.392 122.820 -0.060 0.000 1.933 389 A HA -0.177 4.144 4.320 0.002 0.000 0.218 389 A C 2.301 179.845 177.584 -0.067 0.000 1.175 389 A CA 1.461 53.461 52.037 -0.062 0.000 0.628 389 A CB -0.567 18.388 19.000 -0.076 0.000 0.814 389 A HN 0.170 nan 8.150 nan 0.000 0.444 390 M N -0.749 118.794 119.600 -0.095 0.000 2.108 390 M HA -0.171 4.310 4.480 0.002 0.000 0.261 390 M C 2.435 178.718 176.300 -0.029 0.000 1.066 390 M CA 2.106 57.360 55.300 -0.077 0.000 1.107 390 M CB -0.338 32.192 32.600 -0.117 0.000 1.356 390 M HN 0.435 nan 8.290 nan 0.000 0.406 391 K N 0.298 120.686 120.400 -0.020 0.000 2.097 391 K HA -0.086 4.236 4.320 0.002 0.000 0.205 391 K C 1.938 178.538 176.600 0.000 0.000 1.050 391 K CA 1.219 57.508 56.287 0.003 0.000 0.938 391 K CB -1.123 31.385 32.500 0.013 0.000 0.718 391 K HN 0.426 nan 8.250 nan 0.000 0.442 392 L N 1.309 122.527 121.223 -0.009 0.000 1.994 392 L HA -0.139 4.202 4.340 0.002 0.000 0.208 392 L C 2.137 179.002 176.870 -0.008 0.000 1.071 392 L CA 2.839 57.674 54.840 -0.008 0.000 0.745 392 L CB -1.338 40.713 42.059 -0.014 0.000 0.892 392 L HN 0.616 nan 8.230 nan 0.000 0.431 393 D N -0.315 120.077 120.400 -0.014 0.000 2.182 393 D HA -0.094 4.547 4.640 0.002 0.000 0.201 393 D C 2.226 178.525 176.300 -0.001 0.000 0.986 393 D CA 1.536 55.529 54.000 -0.011 0.000 0.847 393 D CB -0.363 40.426 40.800 -0.019 0.000 0.942 393 D HN 0.604 nan 8.370 nan 0.000 0.467 394 A N 0.952 123.775 122.820 0.004 0.000 1.872 394 A HA -0.159 4.163 4.320 0.002 0.000 0.214 394 A C 1.797 179.388 177.584 0.012 0.000 1.187 394 A CA 1.478 53.523 52.037 0.013 0.000 0.614 394 A CB -0.337 18.677 19.000 0.023 0.000 0.826 394 A HN 0.014 nan 8.150 nan 0.000 0.442 395 D N 0.405 120.810 120.400 0.010 0.000 2.123 395 D HA -0.088 4.554 4.640 0.002 0.000 0.196 395 D C 2.232 178.536 176.300 0.005 0.000 0.992 395 D CA 1.576 55.581 54.000 0.008 0.000 0.833 395 D CB -0.555 40.250 40.800 0.007 0.000 0.954 395 D HN 0.414 nan 8.370 nan 0.000 0.455 396 A N 1.158 123.979 122.820 0.003 0.000 1.865 396 A HA -0.089 4.232 4.320 0.002 0.000 0.217 396 A C 2.222 179.807 177.584 0.002 0.000 1.191 396 A CA 2.384 54.421 52.037 0.001 0.000 0.623 396 A CB -0.761 18.238 19.000 -0.002 0.000 0.826 396 A HN 0.253 nan 8.150 nan 0.000 0.444 397 A N -1.732 121.090 122.820 0.003 0.000 2.235 397 A HA 0.267 4.589 4.320 0.002 0.000 0.208 397 A C 0.856 178.444 177.584 0.008 0.000 1.172 397 A CA 1.312 53.352 52.037 0.005 0.000 0.786 397 A CB -0.530 18.473 19.000 0.006 0.000 0.804 397 A HN 0.710 nan 8.150 nan 0.000 0.479 398 D N -2.809 117.596 120.400 0.008 0.000 2.945 398 D HA -0.160 4.482 4.640 0.002 0.000 0.225 398 D C -0.305 176.003 176.300 0.013 0.000 1.158 398 D CA 0.902 54.908 54.000 0.010 0.000 0.805 398 D CB -2.027 38.778 40.800 0.007 0.000 1.098 398 D HN 0.434 nan 8.370 nan 0.000 0.426 399 C N 0.061 119.371 119.300 0.016 0.000 2.401 399 C HA 0.541 5.003 4.460 0.002 0.000 0.356 399 C C 0.279 175.286 174.990 0.028 0.000 1.192 399 C CA -1.058 57.973 59.018 0.022 0.000 2.028 399 C CB 1.510 29.264 27.740 0.023 0.000 2.344 399 C HN 0.387 nan 8.230 nan 0.000 0.525 400 D N 0.952 121.372 120.400 0.033 0.000 2.343 400 D HA 0.039 4.681 4.640 0.002 0.000 0.255 400 D C 0.915 177.247 176.300 0.053 0.000 1.187 400 D CA 0.210 54.235 54.000 0.041 0.000 0.875 400 D CB 1.279 42.103 40.800 0.041 0.000 1.136 400 D HN 0.345 nan 8.370 nan 0.000 0.469 401 V N 4.213 124.162 119.914 0.059 0.000 2.453 401 V HA -0.239 3.882 4.120 0.002 0.000 0.252 401 V C 1.113 177.275 176.094 0.113 0.000 1.068 401 V CA 1.929 64.275 62.300 0.076 0.000 1.070 401 V CB -0.175 31.691 31.823 0.073 0.000 0.664 401 V HN 0.537 nan 8.190 nan 0.000 0.461 402 D N -0.110 120.355 120.400 0.109 0.000 2.371 402 D HA -0.068 4.574 4.640 0.002 0.000 0.221 402 D C 1.356 177.719 176.300 0.105 0.000 0.986 402 D CA 0.913 54.984 54.000 0.119 0.000 0.899 402 D CB -0.114 40.739 40.800 0.089 0.000 0.902 402 D HN 0.556 nan 8.370 nan 0.000 0.530 403 D N -0.723 119.729 120.400 0.087 0.000 2.369 403 D HA 0.106 4.748 4.640 0.002 0.000 0.211 403 D C 0.863 177.209 176.300 0.077 0.000 1.077 403 D CA 0.091 54.135 54.000 0.074 0.000 0.842 403 D CB 0.634 41.465 40.800 0.053 0.000 0.947 403 D HN 0.225 nan 8.370 nan 0.000 0.509 404 M N 0.252 119.907 119.600 0.092 0.000 2.494 404 M HA 0.239 4.720 4.480 0.002 0.000 0.300 404 M C -0.173 176.192 176.300 0.109 0.000 1.189 404 M CA -1.198 54.149 55.300 0.079 0.000 0.982 404 M CB 1.672 34.306 32.600 0.057 0.000 1.534 404 M HN -0.216 nan 8.290 nan 0.000 0.488 405 L N 2.481 123.749 121.223 0.074 0.000 2.628 405 L HA -0.073 4.269 4.340 0.002 0.000 0.274 405 L C -0.715 176.231 176.870 0.126 0.000 1.209 405 L CA 0.798 55.685 54.840 0.079 0.000 0.930 405 L CB -0.079 41.997 42.059 0.029 0.000 1.183 405 L HN 0.550 nan 8.230 nan 0.000 0.492 406 W N 7.085 128.372 121.300 -0.022 0.000 2.368 406 W HA 0.156 4.814 4.660 -0.002 0.000 0.316 406 W C -0.812 175.693 176.519 -0.023 0.000 1.375 406 W CA -0.455 56.883 57.345 -0.013 0.000 1.261 406 W CB 0.822 30.281 29.460 -0.002 0.000 1.298 406 W HN 0.536 nan 8.180 nan 0.000 0.539 407 Q N 5.890 125.353 119.800 -0.561 0.000 3.244 407 Q HA 0.257 4.599 4.340 0.002 0.000 0.249 407 Q C -1.330 174.274 176.000 -0.659 0.000 0.951 407 Q CA -0.304 55.228 55.803 -0.451 0.000 0.740 407 Q CB 1.271 29.853 28.738 -0.260 0.000 1.334 407 Q HN 0.298 nan 8.270 nan 0.000 0.448 408 V N 2.274 121.719 119.914 -0.781 0.000 2.612 408 V HA 0.401 4.523 4.120 0.002 0.000 0.301 408 V C -2.324 173.601 176.094 -0.283 0.000 1.059 408 V CA -1.860 60.071 62.300 -0.615 0.000 0.886 408 V CB 2.280 33.566 31.823 -0.895 0.000 1.007 408 V HN 0.330 nan 8.190 nan 0.000 0.426 409 P HA 0.180 nan 4.420 nan 0.000 0.267 409 P C -0.155 177.016 177.300 -0.215 0.000 1.200 409 P CA 0.551 63.441 63.100 -0.350 0.000 0.772 409 P CB 0.053 31.544 31.700 -0.349 0.000 0.855 410 Y N -1.691 118.564 120.300 -0.076 0.000 4.893 410 Y HA -0.249 4.303 4.550 0.004 0.000 0.257 410 Y C 0.322 176.261 175.900 0.064 0.000 0.958 410 Y CA 0.372 58.440 58.100 -0.053 0.000 1.897 410 Y CB -2.066 36.322 38.460 -0.121 0.000 1.352 410 Y HN 0.229 nan 8.280 nan 0.000 0.499 411 L N 2.697 124.061 121.223 0.235 0.000 2.353 411 L HA 0.305 4.646 4.340 0.002 0.000 0.270 411 L C -1.343 175.782 176.870 0.426 0.000 1.003 411 L CA -1.854 53.206 54.840 0.367 0.000 0.862 411 L CB 1.511 43.879 42.059 0.515 0.000 1.221 411 L HN -0.289 nan 8.230 nan 0.000 0.430 412 P HA -0.132 nan 4.420 nan 0.000 0.216 412 P C 0.270 177.714 177.300 0.239 0.000 1.150 412 P CA 1.388 64.630 63.100 0.237 0.000 0.837 412 P CB 0.290 32.089 31.700 0.165 0.000 0.786 413 I N -4.297 116.362 120.570 0.148 0.000 2.892 413 I HA 0.524 4.696 4.170 0.002 0.000 0.306 413 I C -0.525 175.115 176.117 -0.795 0.000 1.078 413 I CA -1.521 59.657 61.300 -0.203 0.000 1.032 413 I CB 1.945 40.021 38.000 0.127 0.000 1.229 413 I HN -0.395 nan 8.210 nan 0.000 0.435 414 D N 5.277 124.705 120.400 -1.620 0.000 2.451 414 D HA 0.130 4.771 4.640 0.002 0.000 0.254 414 D C -1.783 174.150 176.300 -0.611 0.000 1.204 414 D CA -1.667 51.353 54.000 -1.634 0.000 0.896 414 D CB 1.465 41.553 40.800 -1.186 0.000 1.136 414 D HN 0.346 nan 8.370 nan 0.000 0.499 415 P HA -0.087 nan 4.420 nan 0.000 0.221 415 P C 1.428 178.508 177.300 -0.367 0.000 1.150 415 P CA 0.443 63.193 63.100 -0.582 0.000 0.800 415 P CB 0.296 31.647 31.700 -0.580 0.000 0.787 416 R N -0.445 119.921 120.500 -0.223 0.000 2.127 416 R HA -0.127 4.215 4.340 0.002 0.000 0.238 416 R C 1.641 177.871 176.300 -0.116 0.000 1.134 416 R CA 1.560 57.590 56.100 -0.118 0.000 0.975 416 R CB -2.094 28.181 30.300 -0.042 0.000 0.865 416 R HN 0.375 nan 8.270 nan 0.000 0.447 417 D N -0.046 120.272 120.400 -0.136 0.000 2.310 417 D HA -0.065 4.576 4.640 0.002 0.000 0.212 417 D C 1.427 177.631 176.300 -0.159 0.000 0.965 417 D CA 1.333 55.283 54.000 -0.084 0.000 0.879 417 D CB 0.082 40.921 40.800 0.064 0.000 0.921 417 D HN 0.451 nan 8.370 nan 0.000 0.510 418 V N -4.188 115.629 119.914 -0.163 0.000 3.214 418 V HA 0.539 4.660 4.120 0.002 0.000 0.330 418 V C 1.286 177.331 176.094 -0.083 0.000 1.403 418 V CA 0.166 62.393 62.300 -0.122 0.000 1.143 418 V CB 0.090 31.880 31.823 -0.055 0.000 1.098 418 V HN 0.106 nan 8.190 nan 0.000 0.463 419 G N 1.000 109.747 108.800 -0.089 0.000 2.153 419 G HA2 -0.230 3.732 3.960 0.002 0.000 0.252 419 G HA3 -0.230 3.732 3.960 0.002 0.000 0.252 419 G C 0.321 175.190 174.900 -0.052 0.000 0.994 419 G CA 0.550 45.620 45.100 -0.049 0.000 0.698 419 G HN 0.591 nan 8.290 nan 0.000 0.521 420 R N -0.569 119.850 120.500 -0.134 0.000 2.797 420 R HA 0.767 5.108 4.340 0.002 0.000 0.251 420 R C -0.294 175.927 176.300 -0.131 0.000 1.107 420 R CA -0.235 55.776 56.100 -0.149 0.000 1.084 420 R CB 0.894 31.003 30.300 -0.318 0.000 1.205 420 R HN 0.155 nan 8.270 nan 0.000 0.515 421 T N 0.900 115.427 114.554 -0.045 0.000 2.861 421 T HA 0.193 4.545 4.350 0.002 0.000 0.287 421 T C -0.816 173.952 174.700 0.114 0.000 1.003 421 T CA -0.581 61.541 62.100 0.036 0.000 0.977 421 T CB 0.983 69.888 68.868 0.061 0.000 0.996 421 T HN 0.398 nan 8.240 nan 0.000 0.448 422 Y N 2.876 123.228 120.300 0.087 0.000 2.610 422 Y HA 0.292 4.844 4.550 0.003 0.000 0.332 422 Y C 0.370 176.342 175.900 0.120 0.000 1.201 422 Y CA -0.456 57.740 58.100 0.160 0.000 1.465 422 Y CB 0.416 38.998 38.460 0.204 0.000 1.283 422 Y HN 0.697 nan 8.280 nan 0.000 0.563 423 E N 5.408 125.191 120.200 -0.696 0.000 2.265 423 E HA 0.623 4.975 4.350 0.002 0.000 0.262 423 E C -1.741 174.393 176.600 -0.777 0.000 0.889 423 E CA -1.034 54.961 56.400 -0.676 0.000 0.789 423 E CB 1.088 30.631 29.700 -0.261 0.000 1.221 423 E HN 0.898 nan 8.360 nan 0.000 0.414 424 A N 4.023 126.402 122.820 -0.736 0.000 2.354 424 A HA 0.434 4.755 4.320 0.002 0.000 0.281 424 A C -0.355 177.016 177.584 -0.354 0.000 1.174 424 A CA -0.491 51.323 52.037 -0.372 0.000 0.828 424 A CB 0.723 19.622 19.000 -0.168 0.000 1.099 424 A HN 0.405 nan 8.150 nan 0.000 0.516 425 V N 4.819 124.446 119.914 -0.477 0.000 2.407 425 V HA 0.299 4.420 4.120 0.002 0.000 0.278 425 V C -0.159 175.719 176.094 -0.360 0.000 1.037 425 V CA -0.433 61.531 62.300 -0.560 0.000 0.900 425 V CB 1.069 32.174 31.823 -1.197 0.000 0.983 425 V HN 0.672 nan 8.190 nan 0.000 0.459 426 I N 4.862 125.305 120.570 -0.211 0.000 2.378 426 I HA 0.479 4.651 4.170 0.002 0.000 0.291 426 I C 0.237 176.324 176.117 -0.051 0.000 0.992 426 I CA -0.826 60.405 61.300 -0.115 0.000 1.154 426 I CB 1.763 39.690 38.000 -0.122 0.000 1.315 426 I HN 0.553 nan 8.210 nan 0.000 0.448 427 R N 3.895 124.394 120.500 -0.003 0.000 2.340 427 R HA 0.401 4.742 4.340 0.002 0.000 0.300 427 R C -0.651 175.666 176.300 0.028 0.000 1.069 427 R CA -0.221 55.899 56.100 0.034 0.000 0.984 427 R CB 0.840 31.176 30.300 0.059 0.000 1.003 427 R HN 0.361 nan 8.270 nan 0.000 0.459 428 V N 3.077 123.017 119.914 0.043 0.000 2.348 428 V HA 0.253 4.374 4.120 0.002 0.000 0.270 428 V C 1.297 177.422 176.094 0.052 0.000 1.037 428 V CA -0.598 61.736 62.300 0.056 0.000 0.872 428 V CB 0.132 32.005 31.823 0.084 0.000 1.002 428 V HN 0.990 nan 8.190 nan 0.000 0.464 435 G N -1.234 107.462 108.800 -0.172 0.000 3.251 435 G HA2 0.748 4.709 3.960 0.002 0.000 0.248 435 G HA3 0.748 4.709 3.960 0.002 0.000 0.248 435 G C 0.658 175.591 174.900 0.055 0.000 1.320 435 G CA -0.211 44.887 45.100 -0.003 0.000 0.982 435 G HN 1.700 nan 8.290 nan 0.000 0.575 436 G N -2.635 106.219 108.800 0.090 0.000 2.675 436 G HA2 0.138 4.100 3.960 0.002 0.000 0.686 436 G HA3 0.138 4.100 3.960 0.002 0.000 0.686 436 G C 0.658 175.633 174.900 0.125 0.000 1.215 436 G CA -0.039 45.117 45.100 0.092 0.000 0.777 436 G HN 1.316 nan 8.290 nan 0.000 0.638 437 V N 2.022 121.993 119.914 0.096 0.000 2.220 437 V HA -0.126 3.995 4.120 0.002 0.000 0.246 437 V C 3.518 179.657 176.094 0.074 0.000 1.049 437 V CA 3.645 66.017 62.300 0.119 0.000 1.003 437 V CB -1.509 30.401 31.823 0.146 0.000 0.634 437 V HN 2.053 nan 8.190 nan 0.000 0.444 438 A N -0.938 121.901 122.820 0.032 0.000 1.896 438 A HA -0.355 3.967 4.320 0.002 0.000 0.220 438 A C 2.181 179.750 177.584 -0.024 0.000 1.206 438 A CA 2.732 54.751 52.037 -0.030 0.000 0.647 438 A CB -0.994 17.984 19.000 -0.037 0.000 0.828 438 A HN 0.706 nan 8.150 nan 0.000 0.455 439 Y N 0.131 120.402 120.300 -0.048 0.000 2.133 439 Y HA -0.159 4.392 4.550 0.002 0.000 0.287 439 Y C 2.101 177.975 175.900 -0.044 0.000 1.134 439 Y CA 2.014 60.085 58.100 -0.049 0.000 1.133 439 Y CB -0.304 38.133 38.460 -0.038 0.000 0.987 439 Y HN 0.256 nan 8.280 nan 0.000 0.502 440 I N -0.380 120.214 120.570 0.040 0.000 2.286 440 I HA -0.359 3.813 4.170 0.002 0.000 0.248 440 I C 2.278 178.348 176.117 -0.078 0.000 1.115 440 I CA 1.010 62.292 61.300 -0.029 0.000 1.392 440 I CB -0.440 37.626 38.000 0.109 0.000 1.065 440 I HN 0.310 nan 8.210 nan 0.000 0.418 441 M N 0.292 119.867 119.600 -0.042 0.000 2.080 441 M HA -0.225 4.256 4.480 0.002 0.000 0.260 441 M C 2.352 178.567 176.300 -0.142 0.000 1.068 441 M CA 1.808 57.067 55.300 -0.068 0.000 1.109 441 M CB -1.101 31.399 32.600 -0.166 0.000 1.342 441 M HN 0.092 nan 8.290 nan 0.000 0.405 442 K N 0.300 120.570 120.400 -0.218 0.000 1.984 442 K HA -0.074 4.248 4.320 0.002 0.000 0.209 442 K C 1.888 178.312 176.600 -0.292 0.000 1.046 442 K CA 2.231 58.372 56.287 -0.245 0.000 0.934 442 K CB -0.781 31.555 32.500 -0.274 0.000 0.717 442 K HN 0.337 nan 8.250 nan 0.000 0.438 443 T N 1.180 115.475 114.554 -0.433 0.000 2.607 443 T HA -0.136 4.215 4.350 0.002 0.000 0.267 443 T C 1.048 175.536 174.700 -0.354 0.000 1.049 443 T CA 1.899 63.749 62.100 -0.417 0.000 1.162 443 T CB -0.436 68.092 68.868 -0.566 0.000 0.863 443 T HN 0.291 nan 8.240 nan 0.000 0.424 444 D N -0.208 119.941 120.400 -0.419 0.000 2.354 444 D HA 0.035 4.677 4.640 0.002 0.000 0.209 444 D C 1.375 177.037 176.300 -1.064 0.000 1.015 444 D CA 0.641 54.257 54.000 -0.641 0.000 0.867 444 D CB 0.032 40.431 40.800 -0.669 0.000 0.933 444 D HN 0.550 nan 8.370 nan 0.000 0.520 445 H N -1.411 117.454 119.070 -0.341 0.000 3.535 445 H HA 0.276 4.834 4.556 0.002 0.000 0.260 445 H C 1.297 176.489 175.328 -0.226 0.000 1.173 445 H CA 0.597 56.404 56.048 -0.401 0.000 1.168 445 H CB 1.368 30.762 29.762 -0.612 0.000 1.568 445 H HN 0.119 nan 8.280 nan 0.000 0.602 446 G N 1.833 110.565 108.800 -0.114 0.000 2.153 446 G HA2 -0.271 3.690 3.960 0.002 0.000 0.252 446 G HA3 -0.271 3.690 3.960 0.002 0.000 0.252 446 G C 0.059 175.022 174.900 0.105 0.000 0.994 446 G CA 0.314 45.397 45.100 -0.028 0.000 0.698 446 G HN 0.251 nan 8.290 nan 0.000 0.521 447 L N 1.017 122.280 121.223 0.068 0.000 2.287 447 L HA 0.559 4.901 4.340 0.002 0.000 0.287 447 L C 0.223 177.072 176.870 -0.035 0.000 1.022 447 L CA -0.626 54.320 54.840 0.177 0.000 0.814 447 L CB 1.993 44.139 42.059 0.146 0.000 1.217 447 L HN 0.052 nan 8.230 nan 0.000 0.420 448 S N 4.881 120.499 115.700 -0.138 0.000 2.464 448 S HA 0.425 4.897 4.470 0.002 0.000 0.313 448 S C 0.041 174.332 174.600 -0.515 0.000 1.078 448 S CA -0.557 57.419 58.200 -0.373 0.000 1.096 448 S CB 0.022 62.865 63.200 -0.594 0.000 1.032 448 S HN 0.363 nan 8.310 nan 0.000 0.498 449 L N 4.848 125.775 121.223 -0.493 0.000 2.361 449 L HA 0.288 4.630 4.340 0.002 0.000 0.278 449 L C -2.163 174.265 176.870 -0.736 0.000 1.113 449 L CA -2.073 52.361 54.840 -0.678 0.000 0.849 449 L CB 0.008 41.822 42.059 -0.408 0.000 1.155 449 L HN 0.225 nan 8.230 nan 0.000 0.452 450 P HA -0.046 nan 4.420 nan 0.000 0.264 450 P C 0.800 177.698 177.300 -0.671 0.000 1.179 450 P CA 0.233 62.772 63.100 -0.936 0.000 0.763 450 P CB 0.528 31.482 31.700 -1.244 0.000 0.806 451 R N 4.184 124.424 120.500 -0.434 0.000 2.139 451 R HA -0.214 4.127 4.340 0.002 0.000 0.243 451 R C 1.959 178.127 176.300 -0.220 0.000 1.145 451 R CA 1.986 57.928 56.100 -0.263 0.000 0.976 451 R CB -1.441 28.767 30.300 -0.153 0.000 0.866 451 R HN 0.551 nan 8.270 nan 0.000 0.449 452 R N -0.642 119.735 120.500 -0.204 0.000 2.210 452 R HA 0.244 4.586 4.340 0.002 0.000 0.203 452 R C 2.396 178.566 176.300 -0.218 0.000 1.010 452 R CA 0.797 56.893 56.100 -0.006 0.000 1.008 452 R CB -0.300 30.210 30.300 0.351 0.000 0.923 452 R HN 0.432 nan 8.270 nan 0.000 0.469 453 L N 1.443 122.100 121.223 -0.944 0.000 2.056 453 L HA -0.213 4.129 4.340 0.002 0.000 0.207 453 L C 2.065 178.759 176.870 -0.294 0.000 1.078 453 L CA 1.538 55.803 54.840 -0.959 0.000 0.749 453 L CB -0.071 41.180 42.059 -1.347 0.000 0.901 453 L HN 0.160 nan 8.230 nan 0.000 0.433 454 Q N -0.010 119.635 119.800 -0.258 0.000 2.096 454 Q HA -0.254 4.087 4.340 0.002 0.000 0.204 454 Q C 2.123 178.125 176.000 0.003 0.000 0.982 454 Q CA 2.158 57.929 55.803 -0.054 0.000 0.850 454 Q CB -0.398 28.283 28.738 -0.096 0.000 0.901 454 Q HN 0.572 nan 8.270 nan 0.000 0.422 455 I N 0.953 121.494 120.570 -0.049 0.000 2.099 455 I HA -0.307 3.864 4.170 0.002 0.000 0.239 455 I C 2.631 178.767 176.117 0.032 0.000 1.066 455 I CA 1.621 62.903 61.300 -0.030 0.000 1.324 455 I CB -0.430 37.556 38.000 -0.024 0.000 1.037 455 I HN 0.297 nan 8.210 nan 0.000 0.401 456 E N 0.861 121.129 120.200 0.114 0.000 2.118 456 E HA -0.284 4.067 4.350 0.002 0.000 0.195 456 E C 2.172 178.921 176.600 0.248 0.000 0.992 456 E CA 1.477 57.998 56.400 0.201 0.000 0.804 456 E CB -0.134 29.762 29.700 0.327 0.000 0.741 456 E HN 0.454 nan 8.360 nan 0.000 0.458 457 F N 0.817 120.846 119.950 0.132 0.000 2.293 457 F HA 0.030 4.558 4.527 0.002 0.000 0.297 457 F C 2.184 178.041 175.800 0.096 0.000 1.089 457 F CA 1.158 59.268 58.000 0.184 0.000 1.377 457 F CB -0.234 38.957 39.000 0.319 0.000 1.051 457 F HN -0.077 nan 8.300 nan 0.000 0.511 458 S N 0.038 115.679 115.700 -0.099 0.000 2.419 458 S HA -0.230 4.241 4.470 0.002 0.000 0.233 458 S C 1.803 176.279 174.600 -0.207 0.000 1.016 458 S CA 1.206 59.260 58.200 -0.245 0.000 0.974 458 S CB -0.351 62.752 63.200 -0.162 0.000 0.786 458 S HN 0.411 nan 8.310 nan 0.000 0.492 459 Q N 0.855 120.590 119.800 -0.110 0.000 2.224 459 Q HA 0.022 4.364 4.340 0.002 0.000 0.203 459 Q C 1.932 177.895 176.000 -0.062 0.000 0.970 459 Q CA 0.957 56.725 55.803 -0.057 0.000 0.865 459 Q CB -0.257 28.489 28.738 0.014 0.000 0.922 459 Q HN 0.394 nan 8.270 nan 0.000 0.445 460 V N -0.273 119.578 119.914 -0.104 0.000 2.302 460 V HA -0.176 3.946 4.120 0.002 0.000 0.243 460 V C 2.008 177.988 176.094 -0.189 0.000 1.036 460 V CA 1.449 63.682 62.300 -0.112 0.000 1.020 460 V CB -0.424 31.374 31.823 -0.041 0.000 0.657 460 V HN 0.326 nan 8.190 nan 0.000 0.453 461 I N 0.088 120.440 120.570 -0.364 0.000 2.335 461 I HA -0.283 3.888 4.170 0.002 0.000 0.251 461 I C 2.673 178.695 176.117 -0.159 0.000 1.129 461 I CA 1.402 62.524 61.300 -0.296 0.000 1.402 461 I CB -0.405 37.360 38.000 -0.392 0.000 1.069 461 I HN 0.368 nan 8.210 nan 0.000 0.424 462 Q N 1.467 121.185 119.800 -0.138 0.000 2.050 462 Q HA -0.126 4.215 4.340 0.002 0.000 0.202 462 Q C 1.208 177.183 176.000 -0.042 0.000 0.980 462 Q CA 1.279 57.037 55.803 -0.075 0.000 0.840 462 Q CB 0.162 28.868 28.738 -0.052 0.000 0.898 462 Q HN 0.362 nan 8.270 nan 0.000 0.424 476 S N 5.262 121.000 115.700 0.063 0.000 2.632 476 S HA 0.588 5.059 4.470 0.002 0.000 0.271 476 S C -1.811 172.860 174.600 0.117 0.000 1.260 476 S CA -0.756 57.491 58.200 0.079 0.000 1.010 476 S CB 1.589 64.833 63.200 0.073 0.000 0.965 476 S HN 0.567 nan 8.310 nan 0.000 0.534 477 P HA -0.234 nan 4.420 nan 0.000 0.219 477 P C 1.412 178.855 177.300 0.238 0.000 1.161 477 P CA 1.869 65.070 63.100 0.170 0.000 0.909 477 P CB -0.013 31.762 31.700 0.124 0.000 0.793 478 K N 0.006 120.527 120.400 0.201 0.000 2.097 478 K HA -0.189 4.132 4.320 0.002 0.000 0.206 478 K C 1.970 178.708 176.600 0.231 0.000 1.049 478 K CA 1.667 58.097 56.287 0.238 0.000 0.933 478 K CB -0.362 32.239 32.500 0.169 0.000 0.717 478 K HN 0.074 nan 8.250 nan 0.000 0.442 479 E N 0.302 120.603 120.200 0.169 0.000 2.072 479 E HA -0.177 4.175 4.350 0.002 0.000 0.191 479 E C 2.006 178.708 176.600 0.170 0.000 0.985 479 E CA 1.422 57.903 56.400 0.134 0.000 0.801 479 E CB -0.119 29.634 29.700 0.088 0.000 0.750 479 E HN 0.424 nan 8.360 nan 0.000 0.452 480 M N 0.422 120.155 119.600 0.222 0.000 2.159 480 M HA -0.156 4.325 4.480 0.002 0.000 0.263 480 M C 2.062 178.639 176.300 0.462 0.000 1.063 480 M CA 1.520 57.018 55.300 0.331 0.000 1.110 480 M CB -0.220 32.564 32.600 0.307 0.000 1.374 480 M HN 0.332 nan 8.290 nan 0.000 0.411 481 W N 1.889 123.297 121.300 0.182 0.000 2.407 481 W HA -0.179 4.482 4.660 0.002 0.000 0.305 481 W C 1.310 177.905 176.519 0.126 0.000 1.196 481 W CA 1.450 58.829 57.345 0.057 0.000 1.311 481 W CB -0.514 28.886 29.460 -0.101 0.000 1.135 481 W HN 0.284 nan 8.180 nan 0.000 0.514 482 D N 1.121 121.480 120.400 -0.068 0.000 2.133 482 D HA -0.218 4.423 4.640 0.002 0.000 0.192 482 D C 2.332 178.569 176.300 -0.104 0.000 1.001 482 D CA 2.373 56.291 54.000 -0.137 0.000 0.844 482 D CB -0.940 39.875 40.800 0.024 0.000 0.944 482 D HN 0.209 nan 8.370 nan 0.000 0.447 483 A N 0.148 123.002 122.820 0.057 0.000 1.933 483 A HA -0.165 4.156 4.320 0.002 0.000 0.218 483 A C 2.128 179.811 177.584 0.164 0.000 1.175 483 A CA 1.051 53.166 52.037 0.129 0.000 0.628 483 A CB -0.935 18.188 19.000 0.204 0.000 0.814 483 A HN 0.253 nan 8.150 nan 0.000 0.444 484 F N 0.794 120.742 119.950 -0.003 0.000 2.113 484 F HA -0.022 4.506 4.527 0.002 0.000 0.297 484 F C 2.539 178.099 175.800 -0.400 0.000 1.103 484 F CA 1.293 59.101 58.000 -0.319 0.000 1.248 484 F CB -0.360 38.305 39.000 -0.558 0.000 0.999 484 F HN 0.243 nan 8.300 nan 0.000 0.475 485 A N -0.106 122.390 122.820 -0.541 0.000 1.902 485 A HA -0.195 4.127 4.320 0.002 0.000 0.217 485 A C 2.161 179.542 177.584 -0.338 0.000 1.181 485 A CA 1.766 53.479 52.037 -0.540 0.000 0.623 485 A CB -0.948 17.638 19.000 -0.689 0.000 0.818 485 A HN 0.527 nan 8.150 nan 0.000 0.443 486 E N -0.570 119.470 120.200 -0.267 0.000 2.070 486 E HA -0.213 4.138 4.350 0.002 0.000 0.197 486 E C 2.009 178.451 176.600 -0.263 0.000 1.004 486 E CA 1.412 57.692 56.400 -0.200 0.000 0.805 486 E CB -0.059 29.561 29.700 -0.133 0.000 0.744 486 E HN 0.556 nan 8.360 nan 0.000 0.451 487 E N -0.654 119.310 120.200 -0.393 0.000 2.076 487 E HA -0.108 4.244 4.350 0.002 0.000 0.190 487 E C 1.690 177.882 176.600 -0.679 0.000 0.979 487 E CA 1.114 57.146 56.400 -0.612 0.000 0.807 487 E CB -0.034 29.100 29.700 -0.944 0.000 0.761 487 E HN 0.469 nan 8.360 nan 0.000 0.454 488 Y N -0.766 119.281 120.300 -0.421 0.000 2.535 488 Y HA 0.202 4.753 4.550 0.002 0.000 0.266 488 Y C 2.125 177.857 175.900 -0.280 0.000 1.088 488 Y CA 0.036 57.885 58.100 -0.419 0.000 1.285 488 Y CB 0.614 38.603 38.460 -0.786 0.000 1.166 488 Y HN -0.117 nan 8.280 nan 0.000 0.525 489 L N -1.921 119.215 121.223 -0.145 0.000 2.526 489 L HA 0.299 4.640 4.340 0.002 0.000 0.210 489 L C 2.326 179.154 176.870 -0.070 0.000 1.048 489 L CA 0.735 55.527 54.840 -0.081 0.000 0.852 489 L CB -0.370 41.642 42.059 -0.078 0.000 1.128 489 L HN 0.028 nan 8.230 nan 0.000 0.482 490 A N 0.108 122.866 122.820 -0.103 0.000 1.930 490 A HA 0.134 4.456 4.320 0.002 0.000 0.215 490 A C -1.298 176.248 177.584 -0.064 0.000 1.176 490 A CA 0.427 52.419 52.037 -0.076 0.000 0.632 490 A CB -1.630 17.317 19.000 -0.088 0.000 0.819 490 A HN 0.197 nan 8.150 nan 0.000 0.445 491 P HA 0.238 nan 4.420 nan 0.000 0.267 491 P C 0.160 177.431 177.300 -0.048 0.000 1.200 491 P CA 0.329 63.388 63.100 -0.067 0.000 0.772 491 P CB 1.236 32.885 31.700 -0.087 0.000 0.855 492 V N 2.063 121.955 119.914 -0.036 0.000 3.432 492 V HA 0.170 4.292 4.120 0.002 0.000 0.290 492 V C 0.256 176.341 176.094 -0.016 0.000 1.591 492 V CA 0.284 62.571 62.300 -0.022 0.000 1.069 492 V CB 0.099 31.914 31.823 -0.013 0.000 0.892 492 V HN 0.465 nan 8.190 nan 0.000 0.436 493 R N 1.050 121.537 120.500 -0.021 0.000 2.628 493 R HA 0.401 4.742 4.340 0.002 0.000 0.288 493 R C -2.017 174.271 176.300 -0.019 0.000 0.980 493 R CA -1.502 54.594 56.100 -0.007 0.000 0.891 493 R CB 2.075 32.377 30.300 0.004 0.000 1.188 493 R HN -0.067 nan 8.270 nan 0.000 0.450 494 P HA -0.059 nan 4.420 nan 0.000 0.222 494 P C 0.156 177.482 177.300 0.042 0.000 1.153 494 P CA 0.578 63.715 63.100 0.062 0.000 0.798 494 P CB 0.444 32.246 31.700 0.170 0.000 0.796 495 L N 0.180 121.349 121.223 -0.090 0.000 2.307 495 L HA 0.532 4.874 4.340 0.002 0.000 0.284 495 L C -0.475 176.364 176.870 -0.052 0.000 1.023 495 L CA -0.819 53.951 54.840 -0.116 0.000 0.810 495 L CB 1.456 43.261 42.059 -0.423 0.000 1.231 495 L HN -0.200 nan 8.230 nan 0.000 0.423 496 E N 4.547 124.749 120.200 0.005 0.000 2.266 496 E HA 0.425 4.777 4.350 0.002 0.000 0.268 496 E C -1.341 175.292 176.600 0.055 0.000 0.879 496 E CA -0.943 55.469 56.400 0.020 0.000 0.762 496 E CB 1.485 31.198 29.700 0.021 0.000 1.199 496 E HN 0.650 nan 8.360 nan 0.000 0.422 497 R N 6.239 126.777 120.500 0.064 0.000 2.310 497 R HA 0.250 4.592 4.340 0.002 0.000 0.324 497 R C 0.285 176.611 176.300 0.044 0.000 0.955 497 R CA -0.469 55.685 56.100 0.090 0.000 0.830 497 R CB 0.590 30.966 30.300 0.127 0.000 1.154 497 R HN 0.626 nan 8.270 nan 0.000 0.458 498 I N 3.653 124.251 120.570 0.047 0.000 2.385 498 I HA 0.044 4.215 4.170 0.002 0.000 0.244 498 I C 0.996 177.123 176.117 0.017 0.000 1.089 498 I CA 1.040 62.357 61.300 0.029 0.000 1.410 498 I CB -0.650 37.370 38.000 0.033 0.000 1.117 498 I HN 0.679 nan 8.210 nan 0.000 0.429 499 R N 1.516 122.030 120.500 0.024 0.000 2.728 499 R HA 0.483 4.825 4.340 0.002 0.000 0.274 499 R C -1.681 174.635 176.300 0.026 0.000 1.030 499 R CA -0.762 55.346 56.100 0.013 0.000 0.876 499 R CB 1.482 31.795 30.300 0.021 0.000 1.259 499 R HN 0.070 nan 8.270 nan 0.000 0.468 500 Q N 1.587 121.397 119.800 0.017 0.000 2.522 500 Q HA 0.290 4.632 4.340 0.002 0.000 0.285 500 Q C -1.777 174.267 176.000 0.074 0.000 0.982 500 Q CA -0.870 54.955 55.803 0.036 0.000 0.805 500 Q CB 1.751 30.472 28.738 -0.029 0.000 1.457 500 Q HN 0.804 nan 8.270 nan 0.000 0.394 501 H N 0.404 119.471 119.070 -0.005 0.000 2.587 501 H HA 0.621 5.179 4.556 0.002 0.000 0.325 501 H C -1.240 174.082 175.328 -0.010 0.000 1.012 501 H CA -0.410 55.633 56.048 -0.009 0.000 1.213 501 H CB 1.263 31.026 29.762 0.001 0.000 1.431 501 H HN 0.409 nan 8.280 nan 0.000 0.492 502 V N 5.170 124.797 119.914 -0.478 0.000 2.364 502 V HA 0.115 4.237 4.120 0.002 0.000 0.272 502 V C 0.028 175.877 176.094 -0.408 0.000 1.036 502 V CA -0.675 61.430 62.300 -0.325 0.000 0.880 502 V CB 1.046 32.740 31.823 -0.215 0.000 0.991 502 V HN 0.784 nan 8.190 nan 0.000 0.460 503 D N 4.627 124.899 120.400 -0.213 0.000 2.485 503 D HA 0.521 5.162 4.640 0.002 0.000 0.221 503 D C 0.168 176.426 176.300 -0.069 0.000 1.112 503 D CA -0.106 53.828 54.000 -0.111 0.000 0.911 503 D CB 1.201 41.996 40.800 -0.008 0.000 1.019 503 D HN 0.706 nan 8.370 nan 0.000 0.516 504 A N 2.641 125.416 122.820 -0.076 0.000 2.331 504 A HA 0.689 5.011 4.320 0.002 0.000 0.283 504 A C 0.404 177.968 177.584 -0.033 0.000 1.142 504 A CA -0.459 51.545 52.037 -0.055 0.000 0.812 504 A CB 0.755 19.718 19.000 -0.062 0.000 1.074 504 A HN 0.643 nan 8.150 nan 0.000 0.497 505 A N 1.752 124.557 122.820 -0.023 0.000 2.407 505 A HA 0.418 4.740 4.320 0.002 0.000 0.248 505 A C 0.443 178.018 177.584 -0.014 0.000 1.082 505 A CA -0.119 51.910 52.037 -0.013 0.000 0.785 505 A CB 0.057 19.053 19.000 -0.008 0.000 1.020 505 A HN 0.798 nan 8.150 nan 0.000 0.489 506 D N 0.066 120.461 120.400 -0.009 0.000 2.234 506 D HA 0.007 4.648 4.640 0.002 0.000 0.205 506 D C -0.149 176.147 176.300 -0.007 0.000 0.962 506 D CA 1.179 55.174 54.000 -0.008 0.000 0.855 506 D CB 0.137 40.934 40.800 -0.004 0.000 0.951 506 D HN 0.560 nan 8.370 nan 0.000 0.500 507 D N 1.336 121.733 120.400 -0.006 0.000 2.177 507 D HA 0.089 4.730 4.640 0.002 0.000 0.247 507 D C -0.353 175.944 176.300 -0.006 0.000 1.063 507 D CA -0.406 53.592 54.000 -0.004 0.000 0.867 507 D CB 1.341 42.139 40.800 -0.002 0.000 1.168 507 D HN -0.053 nan 8.370 nan 0.000 0.445 508 D N 0.071 120.467 120.400 -0.005 0.000 2.423 508 D HA 0.239 4.880 4.640 0.002 0.000 0.238 508 D C 1.551 177.848 176.300 -0.005 0.000 1.142 508 D CA 0.550 54.547 54.000 -0.006 0.000 0.884 508 D CB 0.799 41.597 40.800 -0.004 0.000 1.199 508 D HN 0.693 nan 8.370 nan 0.000 0.438 509 G N 0.637 109.434 108.800 -0.006 0.000 2.212 509 G HA2 -0.192 3.769 3.960 0.002 0.000 0.266 509 G HA3 -0.192 3.769 3.960 0.002 0.000 0.266 509 G C 0.762 175.660 174.900 -0.004 0.000 0.978 509 G CA 0.376 45.474 45.100 -0.004 0.000 0.632 509 G HN 0.825 nan 8.290 nan 0.000 0.537 510 G N -0.879 107.918 108.800 -0.005 0.000 2.580 510 G HA2 0.553 4.515 3.960 0.002 0.000 0.278 510 G HA3 0.553 4.515 3.960 0.002 0.000 0.278 510 G C 0.106 175.003 174.900 -0.004 0.000 1.212 510 G CA 0.570 45.668 45.100 -0.003 0.000 0.939 510 G HN 0.489 nan 8.290 nan 0.000 0.513 511 T N 0.429 114.983 114.554 -0.000 0.000 2.889 511 T HA 0.481 4.833 4.350 0.002 0.000 0.291 511 T C 0.167 174.864 174.700 -0.005 0.000 0.995 511 T CA 0.236 62.337 62.100 0.003 0.000 1.092 511 T CB 1.058 69.933 68.868 0.012 0.000 0.954 511 T HN 0.386 nan 8.240 nan 0.000 0.506 512 T N 2.987 117.536 114.554 -0.010 0.000 2.794 512 T HA 0.536 4.887 4.350 0.002 0.000 0.280 512 T C -0.149 174.547 174.700 -0.007 0.000 0.987 512 T CA -0.557 61.530 62.100 -0.021 0.000 0.993 512 T CB 1.198 70.041 68.868 -0.042 0.000 0.939 512 T HN 0.459 nan 8.240 nan 0.000 0.449 513 S N 2.256 117.953 115.700 -0.005 0.000 2.568 513 S HA 0.787 5.258 4.470 0.002 0.000 0.302 513 S C -0.887 173.720 174.600 0.011 0.000 1.082 513 S CA -0.734 57.476 58.200 0.016 0.000 1.009 513 S CB 1.290 64.508 63.200 0.029 0.000 1.069 513 S HN 0.699 nan 8.310 nan 0.000 0.500 514 I N 2.109 122.705 120.570 0.043 0.000 2.656 514 I HA 0.513 4.685 4.170 0.002 0.000 0.292 514 I C -1.042 175.131 176.117 0.095 0.000 1.144 514 I CA -0.302 61.032 61.300 0.056 0.000 1.038 514 I CB 2.120 40.169 38.000 0.082 0.000 1.244 514 I HN 0.744 nan 8.210 nan 0.000 0.420 515 T N 3.861 118.482 114.554 0.111 0.000 2.807 515 T HA 0.891 5.243 4.350 0.002 0.000 0.279 515 T C -0.642 174.137 174.700 0.131 0.000 0.993 515 T CA -0.635 61.536 62.100 0.119 0.000 0.970 515 T CB 1.721 70.653 68.868 0.107 0.000 0.950 515 T HN 0.749 nan 8.240 nan 0.000 0.441 516 A N 2.601 125.506 122.820 0.143 0.000 2.414 516 A HA 0.740 5.061 4.320 0.002 0.000 0.306 516 A C 0.084 177.743 177.584 0.125 0.000 1.054 516 A CA -0.979 51.150 52.037 0.155 0.000 0.724 516 A CB 1.321 20.493 19.000 0.286 0.000 1.267 516 A HN 0.833 nan 8.150 nan 0.000 0.418 517 T N 2.115 116.728 114.554 0.099 0.000 2.749 517 T HA 0.515 4.867 4.350 0.002 0.000 0.295 517 T C 0.181 174.937 174.700 0.093 0.000 0.936 517 T CA -0.079 62.069 62.100 0.079 0.000 1.060 517 T CB 0.282 69.183 68.868 0.055 0.000 0.904 517 T HN 1.457 nan 8.240 nan 0.000 0.500 518 V N 0.815 120.784 119.914 0.092 0.000 3.007 518 V HA 0.709 4.830 4.120 0.002 0.000 0.311 518 V C -0.959 175.182 176.094 0.078 0.000 1.120 518 V CA -1.381 60.979 62.300 0.099 0.000 0.980 518 V CB 2.126 34.024 31.823 0.125 0.000 1.033 518 V HN 0.678 nan 8.190 nan 0.000 0.429 519 K N 3.129 123.571 120.400 0.071 0.000 2.235 519 K HA 0.698 5.019 4.320 0.002 0.000 0.266 519 K C -1.175 175.476 176.600 0.084 0.000 0.980 519 K CA -0.472 55.852 56.287 0.063 0.000 0.849 519 K CB 2.041 34.568 32.500 0.045 0.000 1.098 519 K HN 0.698 nan 8.250 nan 0.000 0.445 520 I N 3.631 124.257 120.570 0.095 0.000 2.359 520 I HA 0.119 4.290 4.170 0.002 0.000 0.284 520 I C -0.251 175.922 176.117 0.093 0.000 1.018 520 I CA -0.638 60.744 61.300 0.137 0.000 1.173 520 I CB 0.794 38.886 38.000 0.154 0.000 1.326 520 I HN 0.646 nan 8.210 nan 0.000 0.462 521 N N 5.284 124.037 118.700 0.089 0.000 2.738 521 N HA -0.197 4.545 4.740 0.002 0.000 0.249 521 N C 1.025 176.558 175.510 0.039 0.000 1.047 521 N CA 1.221 54.305 53.050 0.057 0.000 0.707 521 N CB -0.834 37.685 38.487 0.054 0.000 0.937 521 N HN 1.164 nan 8.380 nan 0.000 0.545 522 G N -2.520 106.302 108.800 0.037 0.000 2.184 522 G HA2 -0.355 3.606 3.960 0.002 0.000 0.264 522 G HA3 -0.355 3.606 3.960 0.002 0.000 0.264 522 G C 0.094 175.011 174.900 0.028 0.000 0.975 522 G CA 0.440 45.557 45.100 0.028 0.000 0.642 522 G HN 0.530 nan 8.290 nan 0.000 0.536 523 V N 1.566 121.500 119.914 0.033 0.000 2.368 523 V HA 0.649 4.770 4.120 0.002 0.000 0.266 523 V C 0.838 176.952 176.094 0.034 0.000 1.045 523 V CA 0.087 62.404 62.300 0.029 0.000 0.899 523 V CB 0.393 32.229 31.823 0.023 0.000 1.006 523 V HN 0.818 nan 8.190 nan 0.000 0.470 524 E N 3.357 123.575 120.200 0.030 0.000 2.480 524 E HA 0.496 4.848 4.350 0.002 0.000 0.258 524 E C 0.292 176.911 176.600 0.032 0.000 0.984 524 E CA 0.670 57.089 56.400 0.033 0.000 0.930 524 E CB 0.127 29.843 29.700 0.027 0.000 0.936 524 E HN 1.168 nan 8.360 nan 0.000 0.466 525 T N 1.153 115.731 114.554 0.040 0.000 2.864 525 T HA 0.646 4.998 4.350 0.002 0.000 0.299 525 T C -0.502 174.224 174.700 0.044 0.000 1.166 525 T CA -0.710 61.412 62.100 0.036 0.000 1.007 525 T CB 1.303 70.193 68.868 0.037 0.000 1.219 525 T HN 0.387 nan 8.240 nan 0.000 0.506 526 E N 1.616 121.838 120.200 0.037 0.000 2.165 526 E HA 0.535 4.887 4.350 0.002 0.000 0.266 526 E C -0.693 175.934 176.600 0.045 0.000 0.889 526 E CA -0.484 55.943 56.400 0.045 0.000 0.756 526 E CB 1.812 31.534 29.700 0.037 0.000 1.131 526 E HN 0.697 nan 8.360 nan 0.000 0.411 527 I N -0.926 119.681 120.570 0.062 0.000 2.562 527 I HA 0.663 4.834 4.170 0.002 0.000 0.301 527 I C -0.206 175.953 176.117 0.069 0.000 1.003 527 I CA -0.603 60.730 61.300 0.055 0.000 1.127 527 I CB 2.164 40.191 38.000 0.045 0.000 1.304 527 I HN 0.089 nan 8.210 nan 0.000 0.446 528 S N 2.008 117.741 115.700 0.055 0.000 2.540 528 S HA 0.921 5.392 4.470 0.002 0.000 0.275 528 S C -0.451 174.186 174.600 0.061 0.000 1.123 528 S CA -0.431 57.806 58.200 0.063 0.000 0.907 528 S CB 1.921 65.152 63.200 0.051 0.000 1.081 528 S HN 1.223 nan 8.310 nan 0.000 0.476 529 G N 1.042 109.887 108.800 0.075 0.000 2.559 529 G HA2 0.667 4.628 3.960 0.002 0.000 0.291 529 G HA3 0.667 4.628 3.960 0.002 0.000 0.291 529 G C -1.592 173.359 174.900 0.085 0.000 1.424 529 G CA -0.433 44.722 45.100 0.092 0.000 0.786 529 G HN 0.671 nan 8.290 nan 0.000 0.485 530 S N -1.978 113.793 115.700 0.117 0.000 2.627 530 S HA 0.984 5.456 4.470 0.002 0.000 0.283 530 S C -0.009 174.686 174.600 0.158 0.000 1.127 530 S CA 0.032 58.289 58.200 0.094 0.000 0.863 530 S CB 2.056 65.302 63.200 0.078 0.000 1.121 530 S HN 1.941 nan 8.310 nan 0.000 0.479 531 G N 1.080 109.930 108.800 0.082 0.000 2.441 531 G HA2 0.309 4.271 3.960 0.002 0.000 0.294 531 G HA3 0.309 4.271 3.960 0.002 0.000 0.294 531 G C -0.328 174.585 174.900 0.022 0.000 1.393 531 G CA -0.508 44.638 45.100 0.076 0.000 0.796 531 G HN 0.606 nan 8.290 nan 0.000 0.494 532 N N -0.770 117.939 118.700 0.014 0.000 2.494 532 N HA 0.333 5.074 4.740 0.002 0.000 0.182 532 N C 0.831 176.320 175.510 -0.034 0.000 1.076 532 N CA 1.247 54.294 53.050 -0.006 0.000 0.908 532 N CB 0.454 38.941 38.487 0.000 0.000 0.967 532 N HN 1.084 nan 8.380 nan 0.000 0.449 533 G N -1.013 107.751 108.800 -0.060 0.000 2.687 533 G HA2 0.418 4.379 3.960 0.002 0.000 0.291 533 G HA3 0.418 4.379 3.960 0.002 0.000 0.291 533 G C -2.410 172.432 174.900 -0.097 0.000 1.420 533 G CA -1.052 44.000 45.100 -0.081 0.000 0.796 533 G HN -0.128 nan 8.290 nan 0.000 0.485 534 P HA -0.077 nan 4.420 nan 0.000 0.217 534 P C 2.046 179.292 177.300 -0.090 0.000 1.150 534 P CA 0.605 63.645 63.100 -0.100 0.000 0.832 534 P CB 0.473 32.100 31.700 -0.120 0.000 0.787 535 L N -0.295 120.851 121.223 -0.129 0.000 1.994 535 L HA -0.127 4.214 4.340 0.002 0.000 0.208 535 L C 2.596 179.389 176.870 -0.129 0.000 1.071 535 L CA 2.005 56.782 54.840 -0.105 0.000 0.745 535 L CB -1.013 40.926 42.059 -0.200 0.000 0.892 535 L HN -0.094 nan 8.230 nan 0.000 0.431 536 A N -0.186 122.512 122.820 -0.204 0.000 1.917 536 A HA -0.276 4.045 4.320 0.002 0.000 0.219 536 A C 2.417 179.599 177.584 -0.669 0.000 1.182 536 A CA 2.077 53.880 52.037 -0.391 0.000 0.633 536 A CB -1.108 17.749 19.000 -0.238 0.000 0.819 536 A HN 0.607 nan 8.150 nan 0.000 0.448 537 A N -1.598 121.049 122.820 -0.289 0.000 1.902 537 A HA -0.015 4.307 4.320 0.002 0.000 0.217 537 A C 2.058 179.614 177.584 -0.047 0.000 1.181 537 A CA 1.669 53.620 52.037 -0.142 0.000 0.623 537 A CB -0.653 18.331 19.000 -0.027 0.000 0.818 537 A HN 0.659 nan 8.150 nan 0.000 0.443 538 F N 0.484 120.334 119.950 -0.166 0.000 2.206 538 F HA -0.064 4.464 4.527 0.003 0.000 0.298 538 F C 2.244 177.996 175.800 -0.079 0.000 1.090 538 F CA 1.331 59.275 58.000 -0.094 0.000 1.323 538 F CB -0.329 38.619 39.000 -0.087 0.000 1.028 538 F HN 0.014 nan 8.300 nan 0.000 0.492 539 V N 0.343 120.175 119.914 -0.137 0.000 2.332 539 V HA -0.367 3.755 4.120 0.002 0.000 0.248 539 V C 2.250 178.331 176.094 -0.021 0.000 1.055 539 V CA 2.618 64.829 62.300 -0.148 0.000 1.038 539 V CB -0.985 30.774 31.823 -0.106 0.000 0.651 539 V HN 0.476 nan 8.190 nan 0.000 0.450 540 H N -0.468 118.578 119.070 -0.041 0.000 2.403 540 H HA 0.074 4.632 4.556 0.002 0.000 0.298 540 H C 2.335 177.637 175.328 -0.042 0.000 1.059 540 H CA 0.754 56.782 56.048 -0.033 0.000 1.363 540 H CB -0.125 29.629 29.762 -0.014 0.000 1.410 540 H HN 0.461 nan 8.280 nan 0.000 0.528 541 A N 1.556 124.404 122.820 0.047 0.000 1.892 541 A HA -0.188 4.134 4.320 0.002 0.000 0.218 541 A C 2.283 179.835 177.584 -0.054 0.000 1.188 541 A CA 1.520 53.554 52.037 -0.003 0.000 0.631 541 A CB -0.878 18.127 19.000 0.009 0.000 0.822 541 A HN 0.305 nan 8.150 nan 0.000 0.447 542 L N -0.922 120.215 121.223 -0.144 0.000 2.201 542 L HA -0.129 4.213 4.340 0.002 0.000 0.212 542 L C 2.992 179.877 176.870 0.024 0.000 1.105 542 L CA 0.760 55.566 54.840 -0.057 0.000 0.775 542 L CB -0.520 41.460 42.059 -0.132 0.000 0.913 542 L HN 0.431 nan 8.230 nan 0.000 0.440 543 A N -0.292 122.536 122.820 0.013 0.000 2.024 543 A HA -0.230 4.091 4.320 0.002 0.000 0.220 543 A C 1.814 179.378 177.584 -0.033 0.000 1.164 543 A CA 1.895 53.935 52.037 0.005 0.000 0.643 543 A CB -0.401 18.611 19.000 0.020 0.000 0.806 543 A HN 0.326 nan 8.150 nan 0.000 0.451 544 D N -0.901 119.482 120.400 -0.028 0.000 2.355 544 D HA 0.016 4.657 4.640 0.002 0.000 0.218 544 D C 1.349 177.604 176.300 -0.074 0.000 1.004 544 D CA 1.286 55.261 54.000 -0.041 0.000 0.880 544 D CB 0.349 41.136 40.800 -0.020 0.000 0.911 544 D HN 0.466 nan 8.370 nan 0.000 0.528 545 V N -4.241 115.609 119.914 -0.105 0.000 3.070 545 V HA 0.603 4.724 4.120 0.002 0.000 0.345 545 V C 1.075 176.910 176.094 -0.431 0.000 1.403 545 V CA 0.138 62.325 62.300 -0.187 0.000 1.155 545 V CB 0.322 32.082 31.823 -0.104 0.000 1.140 545 V HN 0.080 nan 8.190 nan 0.000 0.505 546 G N 0.624 109.214 108.800 -0.349 0.000 2.131 546 G HA2 -0.235 3.727 3.960 0.002 0.000 0.223 546 G HA3 -0.235 3.727 3.960 0.002 0.000 0.223 546 G C -0.391 174.213 174.900 -0.493 0.000 0.990 546 G CA 0.189 45.043 45.100 -0.410 0.000 0.671 546 G HN 0.621 nan 8.290 nan 0.000 0.521 547 F N 1.002 120.922 119.950 -0.049 0.000 2.382 547 F HA 0.491 5.019 4.527 0.002 0.000 0.361 547 F C 0.089 175.858 175.800 -0.051 0.000 1.109 547 F CA -1.088 56.881 58.000 -0.052 0.000 1.031 547 F CB 1.700 40.656 39.000 -0.074 0.000 1.234 547 F HN 0.033 nan 8.300 nan 0.000 0.445 548 D N 3.574 124.046 120.400 0.121 0.000 2.359 548 D HA 0.376 5.017 4.640 0.002 0.000 0.230 548 D C -1.012 175.322 176.300 0.057 0.000 1.118 548 D CA -0.146 53.892 54.000 0.064 0.000 0.844 548 D CB 1.251 42.070 40.800 0.031 0.000 1.059 548 D HN 0.192 nan 8.370 nan 0.000 0.493 549 V N 3.730 123.669 119.914 0.042 0.000 2.294 549 V HA 0.567 4.688 4.120 0.002 0.000 0.272 549 V C 0.354 176.456 176.094 0.012 0.000 1.027 549 V CA -0.968 61.343 62.300 0.017 0.000 0.823 549 V CB 0.847 32.665 31.823 -0.007 0.000 1.030 549 V HN 0.731 nan 8.190 nan 0.000 0.457 550 A N 5.412 128.234 122.820 0.004 0.000 2.316 550 A HA 0.643 4.964 4.320 0.002 0.000 0.311 550 A C -0.178 177.392 177.584 -0.023 0.000 1.339 550 A CA -0.316 51.721 52.037 -0.001 0.000 0.960 550 A CB 0.467 19.467 19.000 -0.000 0.000 1.152 550 A HN 0.592 nan 8.150 nan 0.000 0.547 551 V N 5.070 124.971 119.914 -0.021 0.000 2.488 551 V HA 0.093 4.215 4.120 0.002 0.000 0.277 551 V C 1.130 177.196 176.094 -0.047 0.000 1.046 551 V CA 0.185 62.460 62.300 -0.042 0.000 0.986 551 V CB 0.973 32.777 31.823 -0.032 0.000 0.989 551 V HN 0.939 nan 8.190 nan 0.000 0.475 552 L N 2.553 123.725 121.223 -0.085 0.000 2.316 552 L HA 0.382 4.724 4.340 0.002 0.000 0.207 552 L C 0.459 177.292 176.870 -0.061 0.000 1.070 552 L CA 0.726 55.519 54.840 -0.078 0.000 0.820 552 L CB 0.292 42.280 42.059 -0.117 0.000 0.992 552 L HN 0.619 nan 8.230 nan 0.000 0.466 553 D N -2.239 118.105 120.400 -0.094 0.000 2.648 553 D HA 0.296 4.937 4.640 0.002 0.000 0.244 553 D C -1.939 174.374 176.300 0.022 0.000 1.244 553 D CA -0.367 53.612 54.000 -0.035 0.000 0.772 553 D CB 2.202 43.052 40.800 0.083 0.000 1.379 553 D HN -0.124 nan 8.370 nan 0.000 0.428 554 Y N 1.399 121.585 120.300 -0.190 0.000 2.442 554 Y HA 0.606 5.158 4.550 0.002 0.000 0.330 554 Y C -2.211 173.466 175.900 -0.372 0.000 1.100 554 Y CA -0.534 57.507 58.100 -0.098 0.000 1.034 554 Y CB 0.931 39.350 38.460 -0.067 0.000 1.285 554 Y HN 0.344 nan 8.280 nan 0.000 0.440 555 Y N 3.325 123.318 120.300 -0.513 0.000 2.553 555 Y HA 0.659 5.210 4.550 0.002 0.000 0.347 555 Y C -0.514 175.174 175.900 -0.354 0.000 1.019 555 Y CA -1.005 56.860 58.100 -0.391 0.000 1.032 555 Y CB 2.624 41.111 38.460 0.045 0.000 1.284 555 Y HN 0.727 nan 8.280 nan 0.000 0.466 556 E N 0.769 120.939 120.200 -0.050 0.000 2.412 556 E HA 0.539 4.890 4.350 0.002 0.000 0.279 556 E C -1.997 174.710 176.600 0.177 0.000 0.984 556 E CA -0.806 55.625 56.400 0.052 0.000 0.788 556 E CB 2.330 32.032 29.700 0.003 0.000 1.277 556 E HN 0.824 nan 8.360 nan 0.000 0.455 557 H N -0.515 118.614 119.070 0.098 0.000 3.037 557 H HA 0.694 5.252 4.556 0.002 0.000 0.336 557 H C -1.411 173.947 175.328 0.049 0.000 1.323 557 H CA -0.645 55.448 56.048 0.074 0.000 1.159 557 H CB 0.787 30.601 29.762 0.085 0.000 1.882 557 H HN 0.520 nan 8.280 nan 0.000 0.535 558 A N 2.046 124.922 122.820 0.093 0.000 2.407 558 A HA 0.291 4.613 4.320 0.002 0.000 0.248 558 A C 0.826 178.484 177.584 0.124 0.000 1.082 558 A CA -0.443 51.618 52.037 0.041 0.000 0.785 558 A CB -0.002 19.031 19.000 0.055 0.000 1.020 558 A HN 0.849 nan 8.150 nan 0.000 0.489 559 M N 1.431 121.049 119.600 0.029 0.000 2.561 559 M HA 0.105 4.586 4.480 0.002 0.000 0.238 559 M C 0.566 176.887 176.300 0.036 0.000 1.131 559 M CA 0.769 56.106 55.300 0.062 0.000 1.046 559 M CB -0.671 31.937 32.600 0.012 0.000 1.532 559 M HN 0.903 nan 8.290 nan 0.000 0.497 560 S N -0.912 114.806 115.700 0.029 0.000 2.671 560 S HA 0.730 5.201 4.470 0.002 0.000 0.267 560 S C -0.911 173.696 174.600 0.013 0.000 1.155 560 S CA -0.761 57.445 58.200 0.010 0.000 0.825 560 S CB 0.984 64.180 63.200 -0.005 0.000 1.147 560 S HN 0.159 nan 8.310 nan 0.000 0.482 561 A N 0.083 122.905 122.820 0.004 0.000 2.280 561 A HA 0.860 5.181 4.320 0.002 0.000 0.268 561 A C 1.046 178.631 177.584 0.001 0.000 1.111 561 A CA 0.175 52.214 52.037 0.004 0.000 0.814 561 A CB -0.867 18.133 19.000 -0.000 0.000 1.093 561 A HN 2.771 nan 8.150 nan 0.000 0.498 562 G N 0.138 108.939 108.800 0.002 0.000 2.788 562 G HA2 0.140 4.101 3.960 0.002 0.000 0.686 562 G HA3 0.140 4.101 3.960 0.002 0.000 0.686 562 G C -0.101 174.799 174.900 0.000 0.000 1.147 562 G CA 0.597 45.696 45.100 -0.001 0.000 0.755 562 G HN 1.563 nan 8.290 nan 0.000 0.634 563 D N 0.401 120.800 120.400 -0.001 0.000 2.221 563 D HA -0.125 4.517 4.640 0.002 0.000 0.204 563 D C 1.359 177.657 176.300 -0.004 0.000 0.982 563 D CA 1.981 55.980 54.000 -0.001 0.000 0.857 563 D CB -0.059 40.740 40.800 -0.001 0.000 0.934 563 D HN 0.661 nan 8.370 nan 0.000 0.475 564 D N -0.063 120.334 120.400 -0.005 0.000 2.358 564 D HA 0.211 4.852 4.640 0.002 0.000 0.224 564 D C 0.456 176.750 176.300 -0.010 0.000 1.123 564 D CA -0.338 53.657 54.000 -0.008 0.000 0.833 564 D CB -0.528 40.268 40.800 -0.008 0.000 0.946 564 D HN 0.307 nan 8.370 nan 0.000 0.505 565 A N 0.667 123.482 122.820 -0.008 0.000 2.507 565 A HA 0.105 4.426 4.320 0.002 0.000 0.235 565 A C 0.752 178.324 177.584 -0.020 0.000 1.070 565 A CA -0.187 51.844 52.037 -0.011 0.000 0.768 565 A CB 0.262 19.259 19.000 -0.004 0.000 1.011 565 A HN 0.160 nan 8.150 nan 0.000 0.502 566 Q N -0.175 119.610 119.800 -0.025 0.000 2.364 566 Q HA 0.398 4.740 4.340 0.002 0.000 0.267 566 Q C 0.082 176.043 176.000 -0.066 0.000 0.999 566 Q CA 0.530 56.309 55.803 -0.040 0.000 0.886 566 Q CB 0.938 29.655 28.738 -0.034 0.000 1.243 566 Q HN 0.772 nan 8.270 nan 0.000 0.415 567 A N 1.306 124.073 122.820 -0.087 0.000 2.304 567 A HA 0.704 5.025 4.320 0.002 0.000 0.323 567 A C -0.674 176.785 177.584 -0.209 0.000 1.195 567 A CA -0.434 51.522 52.037 -0.135 0.000 0.826 567 A CB 1.017 19.968 19.000 -0.082 0.000 1.184 567 A HN 0.668 nan 8.150 nan 0.000 0.496 568 A N 1.754 124.340 122.820 -0.389 0.000 2.288 568 A HA 0.778 5.099 4.320 0.002 0.000 0.320 568 A C 0.162 177.407 177.584 -0.564 0.000 1.217 568 A CA 0.147 51.896 52.037 -0.480 0.000 0.840 568 A CB 0.658 19.347 19.000 -0.518 0.000 1.179 568 A HN 2.070 nan 8.150 nan 0.000 0.504 569 A N 1.860 124.355 122.820 -0.542 0.000 2.380 569 A HA 0.861 5.182 4.320 0.002 0.000 0.315 569 A C -1.439 175.812 177.584 -0.554 0.000 1.101 569 A CA -0.463 51.377 52.037 -0.328 0.000 0.771 569 A CB 0.894 19.893 19.000 -0.001 0.000 1.287 569 A HN 0.844 nan 8.150 nan 0.000 0.436 570 Y N -0.020 120.410 120.300 0.218 0.000 2.386 570 Y HA 0.545 5.096 4.550 0.002 0.000 0.334 570 Y C -0.446 175.748 175.900 0.490 0.000 1.002 570 Y CA -0.858 57.461 58.100 0.364 0.000 1.068 570 Y CB 2.375 41.054 38.460 0.364 0.000 1.203 570 Y HN 0.387 nan 8.280 nan 0.000 0.443 571 V N 2.925 123.169 119.914 0.549 0.000 2.483 571 V HA 0.310 4.431 4.120 0.002 0.000 0.297 571 V C -0.573 175.443 176.094 -0.129 0.000 1.027 571 V CA -0.946 61.505 62.300 0.251 0.000 0.855 571 V CB 1.839 33.770 31.823 0.181 0.000 0.995 571 V HN 0.778 nan 8.190 nan 0.000 0.424 572 E N 3.200 123.007 120.200 -0.656 0.000 2.197 572 E HA 0.757 5.109 4.350 0.002 0.000 0.281 572 E C -0.566 175.781 176.600 -0.422 0.000 0.995 572 E CA -0.333 55.448 56.400 -1.033 0.000 0.808 572 E CB 1.627 30.430 29.700 -1.494 0.000 1.093 572 E HN 0.874 nan 8.360 nan 0.000 0.394 573 A N 2.953 125.592 122.820 -0.301 0.000 2.547 573 A HA 0.349 4.670 4.320 0.002 0.000 0.297 573 A C -1.007 176.519 177.584 -0.098 0.000 1.056 573 A CA -0.660 51.292 52.037 -0.142 0.000 0.688 573 A CB 1.956 20.907 19.000 -0.082 0.000 1.282 573 A HN 0.443 nan 8.150 nan 0.000 0.400 574 S N 1.584 117.251 115.700 -0.056 0.000 2.411 574 S HA 0.541 5.012 4.470 0.002 0.000 0.294 574 S C -0.484 174.114 174.600 -0.003 0.000 1.115 574 S CA -0.341 57.845 58.200 -0.023 0.000 1.071 574 S CB -0.269 62.924 63.200 -0.013 0.000 0.967 574 S HN 0.922 nan 8.310 nan 0.000 0.488 575 V N 5.307 125.226 119.914 0.008 0.000 2.483 575 V HA 0.568 4.689 4.120 0.002 0.000 0.295 575 V C 0.159 176.280 176.094 0.044 0.000 1.035 575 V CA -0.564 61.752 62.300 0.026 0.000 0.896 575 V CB 1.987 33.823 31.823 0.022 0.000 0.986 575 V HN 0.914 nan 8.190 nan 0.000 0.447 576 T N 5.783 120.374 114.554 0.061 0.000 2.841 576 T HA 0.683 5.035 4.350 0.002 0.000 0.285 576 T C -0.566 174.190 174.700 0.094 0.000 0.991 576 T CA -0.199 61.935 62.100 0.057 0.000 0.966 576 T CB 1.200 70.087 68.868 0.032 0.000 0.962 576 T HN 0.388 nan 8.240 nan 0.000 0.438 577 I N 2.334 122.957 120.570 0.088 0.000 2.465 577 I HA 0.620 4.792 4.170 0.002 0.000 0.291 577 I C 0.818 176.937 176.117 0.003 0.000 1.014 577 I CA -1.133 60.225 61.300 0.097 0.000 1.093 577 I CB 1.688 39.809 38.000 0.202 0.000 1.267 577 I HN 0.728 nan 8.210 nan 0.000 0.431 615 S N 0.160 115.875 115.700 0.026 0.000 2.456 615 S HA 0.838 5.309 4.470 0.002 0.000 0.316 615 S C -0.111 174.508 174.600 0.031 0.000 1.089 615 S CA 0.262 58.479 58.200 0.028 0.000 1.101 615 S CB 0.689 63.903 63.200 0.023 0.000 0.995 615 S HN 1.458 nan 8.310 nan 0.000 0.468 616 K N 2.080 122.501 120.400 0.035 0.000 2.156 616 K HA 0.643 4.964 4.320 0.002 0.000 0.271 616 K C 0.062 176.681 176.600 0.032 0.000 0.995 616 K CA -0.771 55.540 56.287 0.040 0.000 0.890 616 K CB 0.502 33.030 32.500 0.046 0.000 1.073 616 K HN 0.761 nan 8.250 nan 0.000 0.454 617 T N 2.212 116.787 114.554 0.035 0.000 2.752 617 T HA 0.447 4.798 4.350 0.002 0.000 0.295 617 T C 0.318 175.047 174.700 0.048 0.000 0.923 617 T CA 0.029 62.139 62.100 0.016 0.000 1.112 617 T CB -0.372 68.507 68.868 0.019 0.000 0.884 617 T HN 0.934 nan 8.240 nan 0.000 0.525 618 V N 0.849 120.773 119.914 0.017 0.000 3.159 618 V HA 0.815 4.937 4.120 0.002 0.000 0.308 618 V C -1.641 174.476 176.094 0.037 0.000 1.190 618 V CA -1.629 60.737 62.300 0.110 0.000 1.037 618 V CB 1.679 33.579 31.823 0.128 0.000 1.060 618 V HN 0.818 nan 8.190 nan 0.000 0.437 619 W N 0.268 121.677 121.300 0.181 0.000 2.516 619 W HA 0.829 5.490 4.660 0.002 0.000 0.343 619 W C 0.551 177.176 176.519 0.177 0.000 1.094 619 W CA 0.076 57.514 57.345 0.154 0.000 1.250 619 W CB 2.091 31.598 29.460 0.078 0.000 1.308 619 W HN 1.046 nan 8.180 nan 0.000 0.588 620 G N 0.822 109.856 108.800 0.391 0.000 2.495 620 G HA2 0.641 4.603 3.960 0.002 0.000 0.318 620 G HA3 0.641 4.603 3.960 0.002 0.000 0.318 620 G C -1.958 173.067 174.900 0.208 0.000 1.257 620 G CA -0.721 44.534 45.100 0.258 0.000 0.962 620 G HN 0.290 nan 8.290 nan 0.000 0.483 621 V N 0.730 120.690 119.914 0.077 0.000 2.540 621 V HA 0.887 5.008 4.120 0.002 0.000 0.302 621 V C 0.530 176.597 176.094 -0.045 0.000 1.035 621 V CA -0.448 61.831 62.300 -0.036 0.000 0.873 621 V CB 1.631 33.411 31.823 -0.072 0.000 0.992 621 V HN 1.061 nan 8.190 nan 0.000 0.428 622 G N 3.695 112.424 108.800 -0.118 0.000 2.591 622 G HA2 0.815 4.776 3.960 0.002 0.000 0.306 622 G HA3 0.815 4.776 3.960 0.002 0.000 0.306 622 G C -1.453 173.370 174.900 -0.128 0.000 1.334 622 G CA -0.558 44.491 45.100 -0.085 0.000 0.981 622 G HN 0.590 nan 8.290 nan 0.000 0.491 623 I N 1.118 121.645 120.570 -0.071 0.000 2.466 623 I HA 0.710 4.881 4.170 0.002 0.000 0.289 623 I C 0.096 176.184 176.117 -0.050 0.000 1.026 623 I CA -0.540 60.719 61.300 -0.069 0.000 1.078 623 I CB 2.169 40.163 38.000 -0.011 0.000 1.249 623 I HN 0.743 nan 8.210 nan 0.000 0.429 624 A N 7.193 129.977 122.820 -0.060 0.000 2.610 624 A HA 0.723 5.045 4.320 0.002 0.000 0.291 624 A C -2.517 175.041 177.584 -0.045 0.000 1.086 624 A CA -1.029 50.980 52.037 -0.046 0.000 0.677 624 A CB 1.286 20.254 19.000 -0.054 0.000 1.278 624 A HN 0.415 nan 8.150 nan 0.000 0.414 625 P HA -0.046 nan 4.420 nan 0.000 0.220 625 P C 0.746 178.026 177.300 -0.033 0.000 1.148 625 P CA 1.356 64.438 63.100 -0.030 0.000 0.803 625 P CB 0.202 31.889 31.700 -0.022 0.000 0.782 626 S N -0.968 114.708 115.700 -0.040 0.000 2.457 626 S HA 0.298 4.770 4.470 0.002 0.000 0.289 626 S C 1.300 175.874 174.600 -0.044 0.000 1.163 626 S CA -0.707 57.468 58.200 -0.042 0.000 1.078 626 S CB -0.033 63.136 63.200 -0.052 0.000 0.987 626 S HN -0.170 nan 8.310 nan 0.000 0.482 627 I N 4.218 124.769 120.570 -0.032 0.000 2.194 627 I HA -0.216 3.955 4.170 0.002 0.000 0.246 627 I C 2.399 178.500 176.117 -0.027 0.000 1.093 627 I CA 1.543 62.833 61.300 -0.018 0.000 1.355 627 I CB -0.379 37.623 38.000 0.003 0.000 1.046 627 I HN 0.659 nan 8.210 nan 0.000 0.413 628 T N -0.292 114.231 114.554 -0.052 0.000 2.668 628 T HA -0.159 4.193 4.350 0.002 0.000 0.262 628 T C 1.885 176.519 174.700 -0.109 0.000 1.045 628 T CA 2.090 64.141 62.100 -0.082 0.000 1.152 628 T CB -0.527 68.284 68.868 -0.095 0.000 0.864 628 T HN 0.378 nan 8.240 nan 0.000 0.419 629 T N 2.432 116.919 114.554 -0.111 0.000 2.720 629 T HA -0.102 4.250 4.350 0.002 0.000 0.268 629 T C 2.389 177.020 174.700 -0.115 0.000 1.037 629 T CA 1.206 63.225 62.100 -0.134 0.000 1.144 629 T CB -0.708 68.094 68.868 -0.109 0.000 0.864 629 T HN 0.427 nan 8.240 nan 0.000 0.444 630 A N 1.973 124.745 122.820 -0.080 0.000 1.917 630 A HA -0.171 4.151 4.320 0.002 0.000 0.219 630 A C 2.637 180.190 177.584 -0.053 0.000 1.182 630 A CA 2.488 54.481 52.037 -0.072 0.000 0.633 630 A CB -1.167 17.787 19.000 -0.076 0.000 0.819 630 A HN 0.616 nan 8.150 nan 0.000 0.448 631 S N 0.031 115.715 115.700 -0.026 0.000 2.370 631 S HA -0.154 4.318 4.470 0.002 0.000 0.226 631 S C 1.924 176.497 174.600 -0.044 0.000 1.033 631 S CA 1.658 59.862 58.200 0.007 0.000 1.011 631 S CB -0.728 62.448 63.200 -0.041 0.000 0.852 631 S HN 0.490 nan 8.310 nan 0.000 0.457 632 L N 0.523 121.656 121.223 -0.150 0.000 2.072 632 L HA 0.045 4.386 4.340 0.002 0.000 0.205 632 L C 3.135 179.922 176.870 -0.139 0.000 1.079 632 L CA 1.201 55.870 54.840 -0.284 0.000 0.752 632 L CB -0.588 41.059 42.059 -0.687 0.000 0.906 632 L HN 0.251 nan 8.230 nan 0.000 0.436 633 R N 0.507 120.942 120.500 -0.110 0.000 2.096 633 R HA -0.203 4.139 4.340 0.002 0.000 0.240 633 R C 2.508 178.816 176.300 0.013 0.000 1.139 633 R CA 1.581 57.658 56.100 -0.038 0.000 0.952 633 R CB -0.680 29.592 30.300 -0.048 0.000 0.854 633 R HN 0.385 nan 8.270 nan 0.000 0.436 634 A N 0.669 123.499 122.820 0.016 0.000 1.917 634 A HA -0.175 4.147 4.320 0.002 0.000 0.219 634 A C 2.389 180.030 177.584 0.095 0.000 1.182 634 A CA 1.835 53.908 52.037 0.059 0.000 0.633 634 A CB -0.711 18.341 19.000 0.086 0.000 0.819 634 A HN 0.154 nan 8.150 nan 0.000 0.448 635 V N -0.515 119.468 119.914 0.116 0.000 2.287 635 V HA -0.252 3.870 4.120 0.002 0.000 0.248 635 V C 2.576 178.729 176.094 0.098 0.000 1.053 635 V CA 2.051 64.433 62.300 0.137 0.000 1.027 635 V CB -0.832 31.149 31.823 0.263 0.000 0.646 635 V HN 0.391 nan 8.190 nan 0.000 0.447 636 V N -0.540 119.457 119.914 0.139 0.000 2.295 636 V HA -0.272 3.849 4.120 0.002 0.000 0.246 636 V C 2.667 178.756 176.094 -0.009 0.000 1.049 636 V CA 2.334 64.664 62.300 0.050 0.000 1.024 636 V CB -0.746 31.128 31.823 0.085 0.000 0.648 636 V HN 0.614 nan 8.190 nan 0.000 0.447 637 S N -0.189 115.528 115.700 0.029 0.000 2.368 637 S HA -0.309 4.162 4.470 0.002 0.000 0.226 637 S C 2.160 176.800 174.600 0.067 0.000 1.044 637 S CA 2.129 60.357 58.200 0.047 0.000 1.062 637 S CB -0.496 62.751 63.200 0.078 0.000 0.931 637 S HN 0.653 nan 8.310 nan 0.000 0.440 638 A N 0.683 123.552 122.820 0.081 0.000 1.865 638 A HA -0.070 4.252 4.320 0.002 0.000 0.217 638 A C 2.395 179.981 177.584 0.003 0.000 1.191 638 A CA 2.050 54.132 52.037 0.075 0.000 0.623 638 A CB -1.250 17.782 19.000 0.054 0.000 0.826 638 A HN 0.475 nan 8.150 nan 0.000 0.444 639 V N 1.003 120.876 119.914 -0.068 0.000 2.332 639 V HA -0.281 3.841 4.120 0.002 0.000 0.248 639 V C 2.222 178.228 176.094 -0.148 0.000 1.055 639 V CA 2.279 64.479 62.300 -0.165 0.000 1.038 639 V CB -0.924 30.666 31.823 -0.387 0.000 0.651 639 V HN 0.584 nan 8.190 nan 0.000 0.450 640 N N -0.460 118.164 118.700 -0.126 0.000 2.354 640 N HA -0.058 4.683 4.740 0.002 0.000 0.179 640 N C 1.926 177.394 175.510 -0.071 0.000 1.021 640 N CA 0.593 53.583 53.050 -0.101 0.000 0.887 640 N CB -0.353 38.077 38.487 -0.095 0.000 0.974 640 N HN 0.299 nan 8.380 nan 0.000 0.437 641 R N 1.104 121.575 120.500 -0.049 0.000 2.096 641 R HA 0.060 4.401 4.340 0.002 0.000 0.235 641 R C 1.719 178.010 176.300 -0.015 0.000 1.127 641 R CA 0.859 56.931 56.100 -0.048 0.000 0.968 641 R CB -0.585 29.737 30.300 0.037 0.000 0.861 641 R HN 0.199 nan 8.270 nan 0.000 0.440 642 A N 0.132 122.953 122.820 0.001 0.000 2.119 642 A HA 0.047 4.368 4.320 0.002 0.000 0.217 642 A C 1.896 179.488 177.584 0.014 0.000 1.153 642 A CA 1.396 53.443 52.037 0.017 0.000 0.692 642 A CB -0.113 18.901 19.000 0.023 0.000 0.799 642 A HN 0.302 nan 8.150 nan 0.000 0.458 643 A N -0.800 122.019 122.820 -0.001 0.000 2.308 643 A HA 0.301 4.622 4.320 0.002 0.000 0.217 643 A C 1.231 178.810 177.584 -0.008 0.000 1.216 643 A CA -0.361 51.681 52.037 0.007 0.000 0.864 643 A CB 0.058 19.065 19.000 0.011 0.000 0.902 643 A HN 0.468 nan 8.150 nan 0.000 0.499 644 R N 0.000 120.486 120.500 -0.024 0.000 2.786 644 R HA 0.000 4.341 4.340 0.002 0.000 0.208 644 R CA 0.000 56.079 56.100 -0.036 0.000 0.921 644 R CB 0.000 30.257 30.300 -0.072 0.000 0.687 644 R HN 0.000 nan 8.270 nan 0.000 0.535