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 3edj_1_B DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSPTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGQEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.195 177.300 -0.176 0.000 1.155 3 P CA 0.000 62.983 63.100 -0.195 0.000 0.800 3 P CB 0.000 31.492 31.700 -0.347 0.000 0.726 4 T N -0.573 113.878 114.554 -0.171 0.000 2.794 4 T HA 0.599 4.949 4.350 -0.000 0.000 0.304 4 T C 0.801 175.407 174.700 -0.158 0.000 0.973 4 T CA 0.644 62.659 62.100 -0.141 0.000 0.972 4 T CB 0.406 69.205 68.868 -0.115 0.000 0.952 4 T HN 0.961 nan 8.240 nan 0.000 0.509 5 A N 4.821 127.551 122.820 -0.149 0.000 5.059 5 A HA -0.220 4.100 4.320 -0.000 0.000 0.321 5 A C 0.367 177.822 177.584 -0.214 0.000 1.900 5 A CA 1.060 53.009 52.037 -0.146 0.000 0.710 5 A CB -1.953 16.989 19.000 -0.096 0.000 1.348 5 A HN 0.935 nan 8.150 nan 0.000 0.374 6 I N 1.073 121.526 120.570 -0.195 0.000 2.307 6 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 6 I C 1.205 177.173 176.117 -0.249 0.000 1.021 6 I CA 0.417 61.567 61.300 -0.249 0.000 1.224 6 I CB 1.393 39.273 38.000 -0.200 0.000 1.376 6 I HN 0.779 nan 8.210 nan 0.000 0.470 7 E N 5.280 125.273 120.200 -0.345 0.000 2.086 7 E HA 0.020 4.370 4.350 -0.000 0.000 0.190 7 E C -0.004 176.236 176.600 -0.600 0.000 0.975 7 E CA 0.772 56.902 56.400 -0.450 0.000 0.813 7 E CB 0.483 29.895 29.700 -0.479 0.000 0.768 7 E HN 0.529 nan 8.360 nan 0.000 0.457 8 H N -0.426 118.521 119.070 -0.205 0.000 2.667 8 H HA 0.339 4.895 4.556 -0.000 0.000 0.353 8 H C -1.211 174.014 175.328 -0.170 0.000 1.072 8 H CA -0.805 55.137 56.048 -0.177 0.000 1.214 8 H CB 1.657 31.316 29.762 -0.171 0.000 1.600 8 H HN 0.074 nan 8.280 nan 0.000 0.527 9 M N 2.739 122.266 119.600 -0.122 0.000 2.190 9 M HA 0.298 4.778 4.480 -0.000 0.000 0.312 9 M C -1.387 174.738 176.300 -0.293 0.000 0.990 9 M CA -0.052 55.073 55.300 -0.291 0.000 0.927 9 M CB 1.164 33.329 32.600 -0.725 0.000 1.571 9 M HN 0.532 nan 8.290 nan 0.000 0.427 10 E N 6.533 126.586 120.200 -0.246 0.000 2.274 10 E HA 0.459 4.809 4.350 -0.000 0.000 0.269 10 E C -2.695 173.740 176.600 -0.275 0.000 0.891 10 E CA -1.953 54.164 56.400 -0.473 0.000 0.784 10 E CB 1.983 31.551 29.700 -0.220 0.000 1.225 10 E HN 0.429 nan 8.360 nan 0.000 0.412 11 P HA 0.070 nan 4.420 nan 0.000 0.272 11 P C -2.134 174.899 177.300 -0.445 0.000 1.223 11 P CA -1.321 61.380 63.100 -0.664 0.000 0.784 11 P CB 0.604 32.246 31.700 -0.097 0.000 0.923 12 P HA 0.027 nan 4.420 nan 0.000 0.231 12 P C -0.134 177.052 177.300 -0.190 0.000 1.168 12 P CA 1.064 63.986 63.100 -0.298 0.000 0.779 12 P CB -0.032 31.505 31.700 -0.271 0.000 0.844 13 F N -4.692 115.156 119.950 -0.170 0.000 2.773 13 F HA 0.687 5.214 4.527 -0.000 0.000 0.314 13 F C -0.965 174.907 175.800 0.119 0.000 1.160 13 F CA -1.505 56.228 58.000 -0.444 0.000 0.920 13 F CB 0.606 39.336 39.000 -0.449 0.000 1.323 13 F HN -0.165 nan 8.300 nan 0.000 0.457 14 W N 0.268 121.558 121.300 -0.016 0.000 3.305 14 W HA 0.525 5.185 4.660 -0.000 0.000 0.398 14 W C -1.924 174.458 176.519 -0.228 0.000 1.077 14 W CA -0.905 56.445 57.345 0.008 0.000 1.137 14 W CB 1.886 31.609 29.460 0.437 0.000 1.501 14 W HN 0.561 nan 8.180 nan 0.000 0.612 15 W N 1.566 122.939 121.300 0.122 0.000 2.915 15 W HA 0.534 5.194 4.660 -0.000 0.000 0.337 15 W C -0.148 176.481 176.519 0.184 0.000 1.102 15 W CA -0.863 56.515 57.345 0.055 0.000 1.224 15 W CB 1.485 30.844 29.460 -0.168 0.000 1.416 15 W HN 0.380 nan 8.180 nan 0.000 0.503 16 A N 0.859 123.902 122.820 0.371 0.000 2.445 16 A HA 0.526 4.846 4.320 -0.000 0.000 0.242 16 A C 1.019 178.755 177.584 0.253 0.000 1.075 16 A CA 1.046 53.269 52.037 0.310 0.000 0.777 16 A CB -0.155 18.998 19.000 0.255 0.000 1.013 16 A HN 1.556 nan 8.150 nan 0.000 0.493 17 G N 0.533 109.457 108.800 0.206 0.000 2.160 17 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 17 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 17 G C 0.140 175.100 174.900 0.100 0.000 1.022 17 G CA 0.357 45.538 45.100 0.134 0.000 0.741 17 G HN 0.562 nan 8.290 nan 0.000 0.508 18 M N -0.644 119.043 119.600 0.145 0.000 2.202 18 M HA 0.337 4.817 4.480 -0.000 0.000 0.316 18 M C 1.498 177.851 176.300 0.088 0.000 1.138 18 M CA -0.347 55.010 55.300 0.094 0.000 1.151 18 M CB 0.784 33.511 32.600 0.212 0.000 1.422 18 M HN 0.206 nan 8.290 nan 0.000 0.471 19 Q N 0.924 120.744 119.800 0.033 0.000 2.016 19 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 19 Q C 0.166 176.226 176.000 0.099 0.000 0.978 19 Q CA 1.687 57.510 55.803 0.032 0.000 0.833 19 Q CB -0.163 28.555 28.738 -0.033 0.000 0.895 19 Q HN 0.639 nan 8.270 nan 0.000 0.427 20 H N 0.532 119.642 119.070 0.066 0.000 2.742 20 H HA 0.138 4.694 4.556 -0.000 0.000 0.302 20 H C 0.408 175.827 175.328 0.152 0.000 1.069 20 H CA -0.182 55.921 56.048 0.092 0.000 1.446 20 H CB 0.749 30.572 29.762 0.101 0.000 1.462 20 H HN -0.005 nan 8.280 nan 0.000 0.499 21 K N 3.365 123.669 120.400 -0.161 0.000 2.167 21 K HA 0.074 4.393 4.320 -0.000 0.000 0.203 21 K C 1.015 177.617 176.600 0.004 0.000 1.052 21 K CA 0.669 56.945 56.287 -0.018 0.000 0.956 21 K CB -0.130 32.339 32.500 -0.050 0.000 0.735 21 K HN 0.739 nan 8.250 nan 0.000 0.451 22 G N 2.033 110.735 108.800 -0.164 0.000 2.398 22 G HA2 0.284 4.244 3.960 -0.000 0.000 0.246 22 G HA3 0.284 4.244 3.960 -0.000 0.000 0.246 22 G C -0.843 174.139 174.900 0.137 0.000 1.289 22 G CA -0.233 44.881 45.100 0.023 0.000 0.869 22 G HN 0.135 nan 8.290 nan 0.000 0.543 23 L N 1.095 122.313 121.223 -0.009 0.000 2.438 23 L HA 0.492 4.832 4.340 -0.000 0.000 0.270 23 L C -0.421 176.370 176.870 -0.132 0.000 0.972 23 L CA -0.670 54.049 54.840 -0.200 0.000 0.831 23 L CB 2.282 44.117 42.059 -0.374 0.000 1.273 23 L HN 0.589 nan 8.230 nan 0.000 0.405 24 Q N 4.993 124.725 119.800 -0.114 0.000 2.372 24 Q HA 0.562 4.902 4.340 -0.000 0.000 0.259 24 Q C -1.618 174.380 176.000 -0.003 0.000 0.993 24 Q CA -0.581 55.225 55.803 0.004 0.000 0.854 24 Q CB 1.119 29.920 28.738 0.104 0.000 1.231 24 Q HN 0.761 nan 8.270 nan 0.000 0.462 25 L N 4.296 125.512 121.223 -0.012 0.000 2.305 25 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 25 L C 0.027 176.909 176.870 0.019 0.000 1.085 25 L CA -0.296 54.522 54.840 -0.038 0.000 0.813 25 L CB 1.052 43.043 42.059 -0.114 0.000 1.157 25 L HN 0.627 nan 8.230 nan 0.000 0.436 26 M N 4.790 124.392 119.600 0.004 0.000 2.055 26 M HA 0.425 4.905 4.480 -0.000 0.000 0.347 26 M C -1.350 174.872 176.300 -0.131 0.000 1.123 26 M CA -0.506 54.697 55.300 -0.160 0.000 1.035 26 M CB 0.981 33.639 32.600 0.098 0.000 1.484 26 M HN 0.321 nan 8.290 nan 0.000 0.428 27 V N 5.020 124.793 119.914 -0.235 0.000 2.435 27 V HA 0.415 4.535 4.120 -0.000 0.000 0.290 27 V C -0.354 175.650 176.094 -0.149 0.000 1.030 27 V CA -0.642 61.534 62.300 -0.207 0.000 0.881 27 V CB 1.346 32.979 31.823 -0.317 0.000 0.983 27 V HN 0.763 nan 8.190 nan 0.000 0.445 28 H N 3.000 121.935 119.070 -0.224 0.000 2.609 28 H HA 0.756 5.312 4.556 -0.000 0.000 0.344 28 H C -0.318 174.815 175.328 -0.325 0.000 1.040 28 H CA 0.056 55.911 56.048 -0.322 0.000 1.216 28 H CB 2.085 31.780 29.762 -0.111 0.000 1.529 28 H HN 0.900 nan 8.280 nan 0.000 0.519 29 G N 3.691 111.984 108.800 -0.844 0.000 2.519 29 G HA2 0.169 4.129 3.960 -0.000 0.000 0.292 29 G HA3 0.169 4.129 3.960 -0.000 0.000 0.292 29 G C -1.307 173.283 174.900 -0.517 0.000 1.507 29 G CA -1.239 43.445 45.100 -0.693 0.000 0.806 29 G HN 0.787 nan 8.290 nan 0.000 0.523 30 R N 0.787 121.065 120.500 -0.370 0.000 2.458 30 R HA 0.353 4.693 4.340 -0.000 0.000 0.303 30 R C -0.528 175.669 176.300 -0.172 0.000 1.013 30 R CA 0.465 56.428 56.100 -0.229 0.000 1.026 30 R CB 0.238 30.445 30.300 -0.155 0.000 0.948 30 R HN 0.393 nan 8.270 nan 0.000 0.417 31 D N 1.303 121.625 120.400 -0.130 0.000 3.012 31 D HA -0.212 4.428 4.640 -0.000 0.000 0.222 31 D C 0.590 176.835 176.300 -0.091 0.000 1.167 31 D CA 1.206 55.157 54.000 -0.082 0.000 0.854 31 D CB -0.743 40.025 40.800 -0.054 0.000 1.107 31 D HN 0.689 nan 8.370 nan 0.000 0.421 32 I N 0.373 120.849 120.570 -0.156 0.000 2.493 32 I HA -0.041 4.128 4.170 -0.000 0.000 0.254 32 I C 2.375 178.443 176.117 -0.081 0.000 1.160 32 I CA 2.010 63.203 61.300 -0.178 0.000 1.445 32 I CB -0.133 37.671 38.000 -0.327 0.000 1.086 32 I HN 0.176 nan 8.210 nan 0.000 0.433 33 G N -0.051 108.725 108.800 -0.040 0.000 2.470 33 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 33 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 33 G C 1.769 176.697 174.900 0.045 0.000 1.121 33 G CA 0.337 45.457 45.100 0.032 0.000 0.766 33 G HN 0.371 nan 8.290 nan 0.000 0.553 34 R N -1.277 119.238 120.500 0.025 0.000 2.299 34 R HA 0.230 4.570 4.340 -0.000 0.000 0.197 34 R C 0.381 176.711 176.300 0.049 0.000 0.971 34 R CA -0.151 55.969 56.100 0.033 0.000 1.030 34 R CB -0.033 30.277 30.300 0.017 0.000 0.932 34 R HN 0.271 nan 8.270 nan 0.000 0.477 35 M N 0.546 120.188 119.600 0.069 0.000 2.291 35 M HA 0.132 4.612 4.480 -0.000 0.000 0.324 35 M C -0.216 176.170 176.300 0.143 0.000 1.148 35 M CA -0.332 55.041 55.300 0.122 0.000 1.104 35 M CB 1.163 33.879 32.600 0.193 0.000 1.483 35 M HN -0.159 nan 8.290 nan 0.000 0.467 36 E N 0.766 121.044 120.200 0.129 0.000 2.176 36 E HA 0.672 5.022 4.350 -0.000 0.000 0.267 36 E C -1.516 175.108 176.600 0.040 0.000 0.893 36 E CA -0.750 55.702 56.400 0.087 0.000 0.761 36 E CB 1.351 31.079 29.700 0.046 0.000 1.133 36 E HN 0.781 nan 8.360 nan 0.000 0.409 37 A N 2.849 125.656 122.820 -0.021 0.000 2.340 37 A HA 0.748 5.068 4.320 -0.000 0.000 0.268 37 A C -0.637 176.837 177.584 -0.183 0.000 1.100 37 A CA 0.084 51.960 52.037 -0.268 0.000 0.803 37 A CB 1.018 19.847 19.000 -0.285 0.000 1.043 37 A HN 0.626 nan 8.150 nan 0.000 0.488 38 A N 1.126 123.809 122.820 -0.228 0.000 2.549 38 A HA 0.760 5.080 4.320 -0.000 0.000 0.297 38 A C -0.949 176.576 177.584 -0.099 0.000 1.061 38 A CA -0.359 51.606 52.037 -0.119 0.000 0.690 38 A CB 1.070 20.027 19.000 -0.072 0.000 1.287 38 A HN 2.161 nan 8.150 nan 0.000 0.402 39 L N -1.425 119.769 121.223 -0.048 0.000 2.568 39 L HA 0.949 5.289 4.340 -0.000 0.000 0.257 39 L C -1.388 175.476 176.870 -0.011 0.000 1.024 39 L CA -0.535 54.309 54.840 0.006 0.000 0.854 39 L CB 2.150 44.229 42.059 0.033 0.000 1.460 39 L HN 0.457 nan 8.230 nan 0.000 0.409 40 D N 0.360 120.774 120.400 0.024 0.000 2.375 40 D HA 0.404 5.043 4.640 -0.000 0.000 0.241 40 D C -2.231 174.110 176.300 0.067 0.000 1.361 40 D CA 0.121 54.128 54.000 0.012 0.000 0.995 40 D CB 1.414 42.227 40.800 0.022 0.000 1.312 40 D HN 0.642 nan 8.370 nan 0.000 0.576 41 Y N 3.055 123.228 120.300 -0.210 0.000 2.441 41 Y HA 0.420 4.970 4.550 -0.000 0.000 0.334 41 Y C -2.559 173.237 175.900 -0.173 0.000 1.061 41 Y CA -1.775 56.196 58.100 -0.215 0.000 1.032 41 Y CB 2.013 40.164 38.460 -0.515 0.000 1.266 41 Y HN 0.138 nan 8.280 nan 0.000 0.441 42 P HA 0.239 nan 4.420 nan 0.000 0.264 42 P C 0.503 177.656 177.300 -0.245 0.000 1.193 42 P CA 2.002 64.896 63.100 -0.343 0.000 0.763 42 P CB 0.701 32.181 31.700 -0.367 0.000 0.810 43 G N 1.400 110.135 108.800 -0.108 0.000 2.199 43 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 43 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 43 G C -0.042 174.860 174.900 0.005 0.000 0.982 43 G CA -0.069 45.014 45.100 -0.029 0.000 0.632 43 G HN 0.542 nan 8.290 nan 0.000 0.529 44 V N 1.358 121.257 119.914 -0.025 0.000 2.357 44 V HA 0.649 4.769 4.120 -0.000 0.000 0.284 44 V C 0.470 176.510 176.094 -0.089 0.000 1.018 44 V CA -0.700 61.563 62.300 -0.061 0.000 0.841 44 V CB 1.551 33.254 31.823 -0.199 0.000 0.991 44 V HN 0.469 nan 8.190 nan 0.000 0.437 45 R N 4.151 124.616 120.500 -0.058 0.000 2.393 45 R HA 0.662 5.002 4.340 -0.000 0.000 0.310 45 R C -1.160 175.110 176.300 -0.050 0.000 0.968 45 R CA -0.723 55.346 56.100 -0.051 0.000 0.867 45 R CB 1.508 31.789 30.300 -0.033 0.000 1.124 45 R HN 0.693 nan 8.270 nan 0.000 0.450 46 L N 5.425 126.618 121.223 -0.050 0.000 2.276 46 L HA 0.309 4.649 4.340 -0.000 0.000 0.286 46 L C -0.260 176.597 176.870 -0.021 0.000 1.061 46 L CA -0.447 54.370 54.840 -0.039 0.000 0.807 46 L CB 1.465 43.496 42.059 -0.047 0.000 1.177 46 L HN 0.489 nan 8.230 nan 0.000 0.429 47 V N 2.854 122.762 119.914 -0.009 0.000 3.815 47 V HA 0.187 4.307 4.120 -0.000 0.000 0.269 47 V C 0.492 176.589 176.094 0.006 0.000 0.928 47 V CA -0.471 61.829 62.300 -0.000 0.000 0.912 47 V CB 1.306 33.134 31.823 0.008 0.000 1.227 47 V HN 0.827 nan 8.190 nan 0.000 0.404 48 S N 0.691 116.398 115.700 0.012 0.000 2.499 48 S HA 0.445 4.915 4.470 -0.000 0.000 0.279 48 S C -2.371 172.246 174.600 0.029 0.000 1.219 48 S CA -1.200 57.010 58.200 0.016 0.000 1.062 48 S CB 0.682 63.889 63.200 0.013 0.000 0.978 48 S HN 0.550 nan 8.310 nan 0.000 0.489 49 P HA 0.107 nan 4.420 nan 0.000 0.265 49 P C -1.017 176.315 177.300 0.054 0.000 1.187 49 P CA 0.163 63.297 63.100 0.056 0.000 0.766 49 P CB 0.329 32.063 31.700 0.056 0.000 0.820 50 T N 3.044 117.640 114.554 0.070 0.000 2.892 50 T HA 0.325 4.675 4.350 -0.000 0.000 0.311 50 T C 0.093 174.843 174.700 0.083 0.000 1.033 50 T CA -0.882 61.251 62.100 0.055 0.000 0.991 50 T CB 0.454 69.340 68.868 0.029 0.000 0.981 50 T HN 0.369 nan 8.240 nan 0.000 0.457 51 R N 1.386 121.931 120.500 0.074 0.000 2.582 51 R HA 0.659 4.999 4.340 -0.000 0.000 0.271 51 R C -0.011 176.342 176.300 0.088 0.000 1.078 51 R CA -0.837 55.321 56.100 0.096 0.000 1.127 51 R CB 0.284 30.628 30.300 0.074 0.000 1.038 51 R HN 0.374 nan 8.270 nan 0.000 0.500 52 V N -1.296 118.696 119.914 0.129 0.000 2.667 52 V HA 0.388 4.508 4.120 -0.000 0.000 0.308 52 V C -1.718 174.429 176.094 0.088 0.000 1.048 52 V CA -2.154 60.204 62.300 0.098 0.000 0.928 52 V CB 1.486 33.390 31.823 0.135 0.000 1.004 52 V HN 0.803 nan 8.190 nan 0.000 0.444 53 P HA -0.103 nan 4.420 nan 0.000 0.222 53 P C 0.368 177.710 177.300 0.069 0.000 1.147 53 P CA 0.804 63.936 63.100 0.053 0.000 0.790 53 P CB -0.022 31.698 31.700 0.034 0.000 0.780 54 N N 0.724 119.479 118.700 0.091 0.000 2.405 54 N HA 0.148 4.888 4.740 -0.000 0.000 0.260 54 N C 1.092 176.697 175.510 0.159 0.000 1.152 54 N CA 0.173 53.305 53.050 0.137 0.000 0.948 54 N CB 0.856 39.451 38.487 0.181 0.000 1.111 54 N HN -0.088 nan 8.380 nan 0.000 0.485 55 A N 4.034 126.915 122.820 0.102 0.000 2.178 55 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 55 A C 1.265 178.861 177.584 0.019 0.000 1.157 55 A CA 0.881 52.953 52.037 0.058 0.000 0.689 55 A CB -0.080 18.939 19.000 0.031 0.000 0.787 55 A HN 0.683 nan 8.150 nan 0.000 0.465 56 N N -1.367 117.356 118.700 0.040 0.000 2.280 56 N HA 0.162 4.902 4.740 -0.000 0.000 0.192 56 N C -1.029 174.263 175.510 -0.363 0.000 1.109 56 N CA 0.383 53.337 53.050 -0.160 0.000 0.855 56 N CB 0.113 38.505 38.487 -0.158 0.000 0.974 56 N HN 0.573 nan 8.380 nan 0.000 0.482 57 Y N -0.275 120.019 120.300 -0.011 0.000 2.512 57 Y HA 0.553 5.103 4.550 -0.000 0.000 0.348 57 Y C -0.622 175.211 175.900 -0.111 0.000 0.990 57 Y CA -1.141 56.901 58.100 -0.096 0.000 1.033 57 Y CB 2.096 40.465 38.460 -0.151 0.000 1.259 57 Y HN -0.232 nan 8.280 nan 0.000 0.461 58 L N 2.955 124.131 121.223 -0.079 0.000 2.436 58 L HA 0.638 4.978 4.340 -0.000 0.000 0.268 58 L C -2.036 174.750 176.870 -0.140 0.000 0.974 58 L CA -0.719 54.115 54.840 -0.009 0.000 0.826 58 L CB 1.076 43.144 42.059 0.014 0.000 1.291 58 L HN 0.448 nan 8.230 nan 0.000 0.406 59 F N 4.651 124.662 119.950 0.102 0.000 2.411 59 F HA 0.623 5.150 4.527 -0.000 0.000 0.352 59 F C -0.089 175.760 175.800 0.082 0.000 1.123 59 F CA -0.703 57.352 58.000 0.093 0.000 1.044 59 F CB 1.794 40.843 39.000 0.083 0.000 1.135 59 F HN 0.084 nan 8.300 nan 0.000 0.461 60 V N 3.371 123.403 119.914 0.198 0.000 2.384 60 V HA 0.316 4.435 4.120 -0.000 0.000 0.287 60 V C -0.627 175.513 176.094 0.077 0.000 1.020 60 V CA -0.965 61.411 62.300 0.126 0.000 0.850 60 V CB 1.465 33.352 31.823 0.106 0.000 0.987 60 V HN 0.559 nan 8.190 nan 0.000 0.436 61 D N 5.215 125.652 120.400 0.063 0.000 2.274 61 D HA 0.589 5.229 4.640 -0.000 0.000 0.239 61 D C -0.630 175.670 176.300 -0.000 0.000 1.104 61 D CA -0.238 53.782 54.000 0.034 0.000 0.840 61 D CB 2.549 43.376 40.800 0.045 0.000 1.100 61 D HN 0.172 nan 8.370 nan 0.000 0.477 62 L N 1.927 123.137 121.223 -0.022 0.000 2.333 62 L HA 0.335 4.675 4.340 -0.000 0.000 0.269 62 L C 0.194 177.055 176.870 -0.015 0.000 1.010 62 L CA -0.694 54.127 54.840 -0.031 0.000 0.818 62 L CB 1.704 43.731 42.059 -0.054 0.000 1.306 62 L HN 0.121 nan 8.230 nan 0.000 0.430 63 E N 2.907 123.100 120.200 -0.011 0.000 2.185 63 E HA 0.438 4.788 4.350 -0.000 0.000 0.261 63 E C -1.016 175.598 176.600 0.023 0.000 0.879 63 E CA -0.179 56.220 56.400 -0.002 0.000 0.756 63 E CB 2.168 31.858 29.700 -0.017 0.000 1.152 63 E HN 0.400 nan 8.360 nan 0.000 0.416 64 I N 2.262 122.873 120.570 0.068 0.000 2.307 64 I HA 0.238 4.408 4.170 -0.000 0.000 0.287 64 I C 1.049 177.229 176.117 0.105 0.000 1.054 64 I CA -0.559 60.815 61.300 0.122 0.000 1.218 64 I CB 1.145 39.286 38.000 0.234 0.000 1.398 64 I HN 0.366 nan 8.210 nan 0.000 0.475 65 G N 6.930 115.773 108.800 0.072 0.000 2.594 65 G HA2 0.186 4.146 3.960 -0.000 0.000 0.243 65 G HA3 0.186 4.146 3.960 -0.000 0.000 0.243 65 G C -1.313 173.631 174.900 0.074 0.000 1.229 65 G CA -0.889 44.242 45.100 0.051 0.000 0.843 65 G HN 0.439 nan 8.290 nan 0.000 0.578 66 P HA -0.113 nan 4.420 nan 0.000 0.222 66 P C 1.307 178.644 177.300 0.062 0.000 1.147 66 P CA 1.091 64.229 63.100 0.063 0.000 0.790 66 P CB 0.267 31.991 31.700 0.041 0.000 0.780 67 E N 0.371 120.598 120.200 0.045 0.000 2.435 67 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 67 E C 0.637 177.262 176.600 0.042 0.000 1.029 67 E CA -0.014 56.405 56.400 0.032 0.000 0.865 67 E CB -0.682 29.022 29.700 0.006 0.000 0.833 67 E HN 0.036 nan 8.360 nan 0.000 0.510 68 A N 2.358 125.228 122.820 0.082 0.000 2.524 68 A HA 0.062 4.382 4.320 -0.000 0.000 0.250 68 A C 0.229 177.926 177.584 0.188 0.000 1.078 68 A CA -0.120 52.006 52.037 0.148 0.000 0.761 68 A CB 0.214 19.355 19.000 0.236 0.000 1.012 68 A HN 0.130 nan 8.150 nan 0.000 0.500 69 Q N 1.666 121.584 119.800 0.197 0.000 2.221 69 Q HA 0.410 4.750 4.340 -0.000 0.000 0.242 69 Q C -2.405 173.778 176.000 0.306 0.000 0.940 69 Q CA -2.060 53.863 55.803 0.199 0.000 0.896 69 Q CB 0.234 29.049 28.738 0.128 0.000 1.226 69 Q HN 0.477 nan 8.270 nan 0.000 0.463 70 P HA 0.280 nan 4.420 nan 0.000 0.266 70 P C -0.248 177.191 177.300 0.233 0.000 1.195 70 P CA 0.327 63.550 63.100 0.205 0.000 0.768 70 P CB 0.557 32.339 31.700 0.136 0.000 0.838 71 G N 0.548 109.461 108.800 0.189 0.000 2.367 71 G HA2 0.444 4.404 3.960 -0.000 0.000 0.272 71 G HA3 0.444 4.404 3.960 -0.000 0.000 0.272 71 G C -1.556 173.342 174.900 -0.003 0.000 1.271 71 G CA -0.432 44.767 45.100 0.166 0.000 0.893 71 G HN 0.439 nan 8.290 nan 0.000 0.485 72 S N -1.049 114.630 115.700 -0.034 0.000 2.588 72 S HA 0.900 5.370 4.470 -0.000 0.000 0.275 72 S C -1.323 173.204 174.600 -0.121 0.000 1.130 72 S CA -0.478 57.596 58.200 -0.209 0.000 0.855 72 S CB 1.791 64.883 63.200 -0.179 0.000 1.116 72 S HN 1.512 nan 8.310 nan 0.000 0.472 73 F N -1.285 118.557 119.950 -0.180 0.000 2.641 73 F HA 0.607 5.134 4.527 -0.000 0.000 0.308 73 F C -1.385 174.422 175.800 0.013 0.000 1.105 73 F CA -1.058 56.896 58.000 -0.076 0.000 0.964 73 F CB 0.675 39.588 39.000 -0.145 0.000 1.294 73 F HN 0.254 nan 8.300 nan 0.000 0.442 74 D N 3.043 123.557 120.400 0.189 0.000 2.308 74 D HA 0.377 5.017 4.640 -0.000 0.000 0.251 74 D C -0.049 176.370 176.300 0.198 0.000 1.127 74 D CA 0.283 54.358 54.000 0.125 0.000 0.876 74 D CB 1.829 42.682 40.800 0.088 0.000 1.176 74 D HN 0.524 nan 8.370 nan 0.000 0.446 75 I N 2.250 122.912 120.570 0.153 0.000 2.304 75 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 75 I C -0.016 176.003 176.117 -0.165 0.000 1.018 75 I CA -0.769 60.526 61.300 -0.008 0.000 1.260 75 I CB 1.320 39.303 38.000 -0.029 0.000 1.390 75 I HN -0.109 nan 8.210 nan 0.000 0.475 76 V N 7.160 126.918 119.914 -0.261 0.000 2.427 76 V HA 0.363 4.483 4.120 -0.000 0.000 0.286 76 V C -0.465 175.405 176.094 -0.373 0.000 1.034 76 V CA -0.454 61.745 62.300 -0.169 0.000 0.893 76 V CB 1.310 33.103 31.823 -0.050 0.000 0.982 76 V HN 0.371 nan 8.190 nan 0.000 0.452 77 F N 3.918 123.891 119.950 0.038 0.000 2.375 77 F HA 0.550 5.077 4.527 -0.000 0.000 0.361 77 F C 0.450 176.258 175.800 0.013 0.000 1.117 77 F CA -0.571 57.442 58.000 0.021 0.000 1.037 77 F CB 1.263 40.268 39.000 0.008 0.000 1.192 77 F HN 0.270 nan 8.300 nan 0.000 0.452 78 K N 2.459 122.941 120.400 0.138 0.000 2.270 78 K HA 0.869 5.189 4.320 -0.000 0.000 0.255 78 K C -0.232 176.414 176.600 0.077 0.000 0.936 78 K CA -0.985 55.353 56.287 0.086 0.000 0.809 78 K CB 2.455 34.981 32.500 0.045 0.000 1.131 78 K HN 0.836 nan 8.250 nan 0.000 0.427 79 G N 0.998 109.834 108.800 0.059 0.000 2.519 79 G HA2 0.185 4.145 3.960 -0.000 0.000 0.292 79 G HA3 0.185 4.145 3.960 -0.000 0.000 0.292 79 G C -1.144 173.774 174.900 0.030 0.000 1.507 79 G CA -0.783 44.343 45.100 0.043 0.000 0.806 79 G HN 0.611 nan 8.290 nan 0.000 0.523 80 D N -0.735 119.678 120.400 0.022 0.000 2.882 80 D HA -0.203 4.436 4.640 -0.000 0.000 0.229 80 D C 1.599 177.907 176.300 0.013 0.000 1.167 80 D CA 2.739 56.748 54.000 0.015 0.000 0.759 80 D CB -1.185 39.621 40.800 0.011 0.000 1.088 80 D HN 2.288 nan 8.370 nan 0.000 0.425 81 G N -0.003 108.807 108.800 0.016 0.000 2.159 81 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.256 81 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.256 81 G C 0.297 175.205 174.900 0.014 0.000 0.977 81 G CA 0.788 45.896 45.100 0.013 0.000 0.652 81 G HN 0.816 nan 8.290 nan 0.000 0.531 82 R N -0.996 119.515 120.500 0.019 0.000 2.892 82 R HA 0.833 5.173 4.340 -0.000 0.000 0.265 82 R C -0.301 176.021 176.300 0.037 0.000 1.025 82 R CA -0.171 55.942 56.100 0.021 0.000 0.982 82 R CB 1.774 32.082 30.300 0.013 0.000 1.185 82 R HN 0.780 nan 8.270 nan 0.000 0.484 83 S N 0.359 116.085 115.700 0.042 0.000 2.547 83 S HA 0.496 4.965 4.470 -0.000 0.000 0.281 83 S C -0.995 173.654 174.600 0.081 0.000 1.118 83 S CA -0.983 57.258 58.200 0.068 0.000 0.947 83 S CB 2.122 65.354 63.200 0.054 0.000 1.053 83 S HN 0.627 nan 8.310 nan 0.000 0.482 84 E N 1.677 121.962 120.200 0.142 0.000 2.256 84 E HA 0.541 4.891 4.350 -0.000 0.000 0.267 84 E C -0.759 176.002 176.600 0.268 0.000 0.892 84 E CA -0.711 55.783 56.400 0.156 0.000 0.775 84 E CB 2.286 32.048 29.700 0.104 0.000 1.207 84 E HN 0.674 nan 8.360 nan 0.000 0.420 85 R N 0.875 121.505 120.500 0.217 0.000 2.803 85 R HA 0.510 4.850 4.340 -0.000 0.000 0.276 85 R C -1.240 175.241 176.300 0.303 0.000 0.978 85 R CA -0.863 55.376 56.100 0.232 0.000 0.939 85 R CB 1.806 32.170 30.300 0.107 0.000 1.179 85 R HN 0.494 nan 8.270 nan 0.000 0.472 86 Y N 1.161 121.576 120.300 0.191 0.000 2.332 86 Y HA 0.314 4.864 4.550 -0.000 0.000 0.325 86 Y C -0.853 175.082 175.900 0.059 0.000 1.054 86 Y CA -0.924 57.258 58.100 0.137 0.000 1.119 86 Y CB 1.309 39.913 38.460 0.240 0.000 1.168 86 Y HN 0.457 nan 8.280 nan 0.000 0.439 87 R N 5.318 125.643 120.500 -0.291 0.000 2.288 87 R HA 0.173 4.513 4.340 -0.000 0.000 0.330 87 R C -1.679 174.420 176.300 -0.336 0.000 1.069 87 R CA 0.012 55.952 56.100 -0.266 0.000 0.941 87 R CB 0.056 30.192 30.300 -0.273 0.000 0.998 87 R HN 0.717 nan 8.270 nan 0.000 0.452 88 Y N 3.434 123.487 120.300 -0.411 0.000 2.320 88 Y HA 0.313 4.863 4.550 -0.000 0.000 0.334 88 Y C -0.177 175.338 175.900 -0.640 0.000 1.055 88 Y CA -0.480 57.351 58.100 -0.448 0.000 1.143 88 Y CB 0.916 39.007 38.460 -0.614 0.000 1.193 88 Y HN 0.501 nan 8.280 nan 0.000 0.477 89 R N 4.287 124.418 120.500 -0.615 0.000 2.445 89 R HA 0.536 4.876 4.340 -0.000 0.000 0.308 89 R C -2.232 173.973 176.300 -0.157 0.000 0.961 89 R CA -0.553 55.329 56.100 -0.365 0.000 0.862 89 R CB 0.632 30.714 30.300 -0.363 0.000 1.144 89 R HN 0.590 nan 8.270 nan 0.000 0.447 90 L N 5.745 126.959 121.223 -0.014 0.000 2.276 90 L HA 0.409 4.749 4.340 -0.000 0.000 0.286 90 L C -1.015 175.855 176.870 0.001 0.000 1.024 90 L CA -0.581 54.330 54.840 0.118 0.000 0.826 90 L CB 1.093 43.325 42.059 0.289 0.000 1.211 90 L HN 0.591 nan 8.230 nan 0.000 0.422 91 L N 2.937 124.066 121.223 -0.157 0.000 2.418 91 L HA 0.565 4.905 4.340 -0.000 0.000 0.265 91 L C 0.732 177.676 176.870 0.123 0.000 1.143 91 L CA -0.039 54.725 54.840 -0.127 0.000 0.809 91 L CB 0.665 42.507 42.059 -0.362 0.000 1.124 91 L HN 0.696 nan 8.230 nan 0.000 0.456 92 A N 3.448 126.353 122.820 0.141 0.000 2.450 92 A HA 0.374 4.694 4.320 -0.000 0.000 0.255 92 A C 0.349 178.094 177.584 0.268 0.000 1.096 92 A CA -0.426 51.722 52.037 0.185 0.000 0.778 92 A CB -0.031 19.040 19.000 0.117 0.000 1.031 92 A HN 0.628 nan 8.150 nan 0.000 0.494 93 R N 1.926 122.574 120.500 0.246 0.000 2.539 93 R HA 0.155 4.495 4.340 -0.000 0.000 0.275 93 R C -0.229 176.122 176.300 0.086 0.000 1.077 93 R CA -0.467 55.729 56.100 0.160 0.000 1.097 93 R CB 0.581 30.919 30.300 0.063 0.000 1.018 93 R HN 0.724 nan 8.270 nan 0.000 0.483 94 E N 2.037 122.265 120.200 0.047 0.000 2.413 94 E HA -0.083 4.267 4.350 -0.000 0.000 0.263 94 E C 0.032 176.641 176.600 0.014 0.000 1.015 94 E CA -0.029 56.386 56.400 0.025 0.000 0.916 94 E CB 0.491 30.192 29.700 0.001 0.000 0.947 94 E HN 0.253 nan 8.360 nan 0.000 0.440 95 Q N 0.254 120.062 119.800 0.014 0.000 2.263 95 Q HA 0.188 4.528 4.340 -0.000 0.000 0.289 95 Q C 0.823 176.825 176.000 0.003 0.000 1.061 95 Q CA 1.340 57.150 55.803 0.010 0.000 0.927 95 Q CB 0.161 28.905 28.738 0.010 0.000 1.154 95 Q HN 0.763 nan 8.270 nan 0.000 0.378 96 G N 2.605 111.407 108.800 0.003 0.000 2.159 96 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.256 96 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.256 96 G C 0.989 175.893 174.900 0.006 0.000 0.977 96 G CA 0.886 45.987 45.100 0.002 0.000 0.652 96 G HN 0.733 nan 8.290 nan 0.000 0.531 97 S N 0.256 115.959 115.700 0.004 0.000 2.359 97 S HA -0.010 4.460 4.470 -0.000 0.000 0.223 97 S C 2.862 177.517 174.600 0.091 0.000 1.039 97 S CA 2.418 60.628 58.200 0.016 0.000 1.042 97 S CB -0.455 62.733 63.200 -0.019 0.000 0.915 97 S HN 1.743 nan 8.310 nan 0.000 0.439 98 A N 0.686 123.535 122.820 0.048 0.000 1.933 98 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 98 A C 2.088 179.725 177.584 0.089 0.000 1.175 98 A CA 1.399 53.458 52.037 0.037 0.000 0.628 98 A CB -0.528 18.431 19.000 -0.068 0.000 0.814 98 A HN 0.603 nan 8.150 nan 0.000 0.444 99 Q N 0.233 120.061 119.800 0.046 0.000 2.365 99 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 99 Q C 0.079 176.095 176.000 0.026 0.000 0.929 99 Q CA -0.034 55.787 55.803 0.029 0.000 0.948 99 Q CB -0.228 28.515 28.738 0.008 0.000 1.043 99 Q HN 0.808 nan 8.270 nan 0.000 0.505 100 R N 0.801 121.323 120.500 0.037 0.000 2.500 100 R HA -0.077 4.263 4.340 -0.000 0.000 0.281 100 R C -0.029 176.259 176.300 -0.020 0.000 0.953 100 R CA 0.165 56.261 56.100 -0.007 0.000 1.108 100 R CB 0.002 30.273 30.300 -0.048 0.000 0.901 100 R HN -0.164 nan 8.270 nan 0.000 0.410 101 Q N 2.557 122.340 119.800 -0.029 0.000 2.307 101 Q HA 0.252 4.592 4.340 -0.000 0.000 0.259 101 Q C -0.174 175.798 176.000 -0.047 0.000 0.998 101 Q CA 0.364 56.145 55.803 -0.036 0.000 0.923 101 Q CB 1.159 29.880 28.738 -0.028 0.000 1.196 101 Q HN 0.771 nan 8.270 nan 0.000 0.416 102 G N 3.404 112.152 108.800 -0.087 0.000 2.594 102 G HA2 0.285 4.245 3.960 -0.000 0.000 0.243 102 G HA3 0.285 4.245 3.960 -0.000 0.000 0.243 102 G C -0.463 174.364 174.900 -0.123 0.000 1.229 102 G CA -0.530 44.483 45.100 -0.145 0.000 0.843 102 G HN 0.739 nan 8.290 nan 0.000 0.578 103 F N 0.020 119.947 119.950 -0.038 0.000 2.553 103 F HA 0.573 5.100 4.527 -0.000 0.000 0.356 103 F C 0.630 176.408 175.800 -0.036 0.000 1.142 103 F CA -0.413 57.568 58.000 -0.032 0.000 1.322 103 F CB 0.420 39.412 39.000 -0.015 0.000 1.126 103 F HN 0.655 nan 8.300 nan 0.000 0.599 104 G N 1.464 110.333 108.800 0.114 0.000 2.782 104 G HA2 0.481 4.441 3.960 -0.000 0.000 0.304 104 G HA3 0.481 4.441 3.960 -0.000 0.000 0.304 104 G C -2.785 172.128 174.900 0.021 0.000 1.315 104 G CA -1.190 43.913 45.100 0.006 0.000 0.791 104 G HN 0.272 nan 8.290 nan 0.000 0.519 105 P HA -0.005 nan 4.420 nan 0.000 0.219 105 P C 1.778 178.950 177.300 -0.212 0.000 1.146 105 P CA 1.736 64.808 63.100 -0.047 0.000 0.808 105 P CB 0.152 31.843 31.700 -0.014 0.000 0.779 106 G N -1.544 107.028 108.800 -0.381 0.000 2.650 106 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.214 106 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.214 106 G C 0.416 175.052 174.900 -0.440 0.000 1.136 106 G CA 0.105 44.671 45.100 -0.891 0.000 0.789 106 G HN 0.221 nan 8.290 nan 0.000 0.536 107 D N 0.138 120.438 120.400 -0.166 0.000 2.348 107 D HA 0.558 5.198 4.640 -0.000 0.000 0.249 107 D C -0.238 176.078 176.300 0.026 0.000 1.110 107 D CA 0.088 54.070 54.000 -0.029 0.000 0.967 107 D CB 1.913 42.761 40.800 0.081 0.000 1.139 107 D HN 0.108 nan 8.370 nan 0.000 0.466 108 A N 1.414 124.289 122.820 0.091 0.000 2.374 108 A HA 0.565 4.885 4.320 -0.000 0.000 0.305 108 A C -0.608 177.232 177.584 0.426 0.000 1.053 108 A CA -0.636 51.537 52.037 0.226 0.000 0.726 108 A CB 0.773 19.826 19.000 0.089 0.000 1.229 108 A HN 0.468 nan 8.150 nan 0.000 0.431 109 I N 1.974 122.789 120.570 0.408 0.000 2.359 109 I HA 0.263 4.433 4.170 -0.000 0.000 0.294 109 I C -0.802 175.477 176.117 0.271 0.000 0.987 109 I CA -0.525 60.947 61.300 0.288 0.000 1.225 109 I CB 1.299 39.376 38.000 0.128 0.000 1.366 109 I HN 0.726 nan 8.210 nan 0.000 0.466 110 Y N 6.315 126.562 120.300 -0.088 0.000 2.328 110 Y HA 0.306 4.856 4.550 -0.000 0.000 0.337 110 Y C -0.145 175.634 175.900 -0.201 0.000 1.008 110 Y CA -0.279 57.581 58.100 -0.399 0.000 1.129 110 Y CB 1.054 39.119 38.460 -0.658 0.000 1.185 110 Y HN 0.507 nan 8.280 nan 0.000 0.476 111 Q N 7.812 127.330 119.800 -0.469 0.000 2.293 111 Q HA 0.586 4.926 4.340 -0.000 0.000 0.261 111 Q C -1.258 174.363 176.000 -0.630 0.000 0.960 111 Q CA -0.828 54.662 55.803 -0.521 0.000 0.882 111 Q CB 1.205 29.592 28.738 -0.584 0.000 1.275 111 Q HN 0.863 nan 8.270 nan 0.000 0.445 112 I N -0.011 120.208 120.570 -0.585 0.000 2.892 112 I HA 0.529 4.699 4.170 -0.000 0.000 0.306 112 I C -0.922 174.988 176.117 -0.344 0.000 1.078 112 I CA -1.318 59.703 61.300 -0.466 0.000 1.032 112 I CB 2.361 40.019 38.000 -0.570 0.000 1.229 112 I HN 0.526 nan 8.210 nan 0.000 0.435 113 M N 4.481 124.010 119.600 -0.118 0.000 2.088 113 M HA 0.336 4.816 4.480 -0.000 0.000 0.346 113 M C -1.767 174.563 176.300 0.050 0.000 1.111 113 M CA -1.599 53.675 55.300 -0.042 0.000 1.017 113 M CB 1.601 34.283 32.600 0.137 0.000 1.568 113 M HN 0.446 nan 8.290 nan 0.000 0.445 114 P HA -0.203 nan 4.420 nan 0.000 0.216 114 P C 0.697 178.132 177.300 0.225 0.000 1.150 114 P CA 1.625 64.693 63.100 -0.054 0.000 0.837 114 P CB 0.113 31.492 31.700 -0.535 0.000 0.786 115 D N -0.838 119.789 120.400 0.379 0.000 2.264 115 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 115 D C 1.561 178.183 176.300 0.536 0.000 0.966 115 D CA 0.841 55.164 54.000 0.539 0.000 0.864 115 D CB 0.019 41.136 40.800 0.528 0.000 0.933 115 D HN -0.101 nan 8.370 nan 0.000 0.499 116 R N -0.928 119.868 120.500 0.494 0.000 2.437 116 R HA 0.133 4.473 4.340 -0.000 0.000 0.257 116 R C 0.842 177.570 176.300 0.713 0.000 0.927 116 R CA -0.164 56.279 56.100 0.572 0.000 1.078 116 R CB -0.366 30.144 30.300 0.350 0.000 1.161 116 R HN 0.252 nan 8.270 nan 0.000 0.529 117 F N 0.800 120.981 119.950 0.386 0.000 2.202 117 F HA 0.487 5.014 4.527 -0.000 0.000 0.279 117 F C -0.078 175.870 175.800 0.248 0.000 1.077 117 F CA -0.004 58.160 58.000 0.275 0.000 1.193 117 F CB 0.180 39.231 39.000 0.086 0.000 1.090 117 F HN -0.124 nan 8.300 nan 0.000 0.516 118 A N 0.804 123.525 122.820 -0.165 0.000 2.437 118 A HA 0.426 4.746 4.320 -0.000 0.000 0.293 118 A C -1.450 175.817 177.584 -0.529 0.000 1.038 118 A CA -0.614 51.136 52.037 -0.479 0.000 0.708 118 A CB 0.360 19.101 19.000 -0.433 0.000 1.251 118 A HN 0.248 nan 8.150 nan 0.000 0.409 119 N N 2.277 120.392 118.700 -0.974 0.000 2.719 119 N HA 0.261 5.000 4.740 -0.000 0.000 0.243 119 N C 1.162 176.439 175.510 -0.389 0.000 1.104 119 N CA 0.461 53.074 53.050 -0.728 0.000 0.981 119 N CB 0.854 38.638 38.487 -1.172 0.000 1.290 119 N HN 0.730 nan 8.380 nan 0.000 0.513 120 G N 1.004 109.674 108.800 -0.216 0.000 2.572 120 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 120 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 120 G C 0.090 174.930 174.900 -0.100 0.000 1.133 120 G CA 0.185 45.201 45.100 -0.141 0.000 0.791 120 G HN 0.544 nan 8.290 nan 0.000 0.538 121 D N -1.162 119.187 120.400 -0.085 0.000 2.330 121 D HA 0.318 4.958 4.640 -0.000 0.000 0.249 121 D C -2.075 174.205 176.300 -0.034 0.000 1.306 121 D CA -1.852 52.122 54.000 -0.044 0.000 0.956 121 D CB 1.747 42.537 40.800 -0.017 0.000 1.261 121 D HN -0.116 nan 8.370 nan 0.000 0.544 122 P HA -0.104 nan 4.420 nan 0.000 0.222 122 P C 1.324 178.631 177.300 0.012 0.000 1.147 122 P CA 0.833 63.933 63.100 0.000 0.000 0.790 122 P CB 0.226 31.934 31.700 0.013 0.000 0.780 123 S N 0.072 115.775 115.700 0.004 0.000 2.474 123 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 123 S C 1.480 176.084 174.600 0.005 0.000 0.997 123 S CA 1.018 59.221 58.200 0.006 0.000 0.949 123 S CB -1.276 61.926 63.200 0.003 0.000 0.766 123 S HN 0.199 nan 8.310 nan 0.000 0.517 124 N N 0.749 119.452 118.700 0.006 0.000 2.270 124 N HA 0.108 4.848 4.740 -0.000 0.000 0.198 124 N C 0.210 175.716 175.510 -0.008 0.000 1.117 124 N CA 0.234 53.285 53.050 0.000 0.000 0.845 124 N CB -0.334 38.157 38.487 0.008 0.000 0.980 124 N HN 0.146 nan 8.380 nan 0.000 0.486 125 D N 0.356 120.762 120.400 0.011 0.000 2.149 125 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 125 D C -0.159 176.140 176.300 -0.002 0.000 0.990 125 D CA 1.231 55.245 54.000 0.024 0.000 0.839 125 D CB -0.069 40.771 40.800 0.066 0.000 0.948 125 D HN 0.324 nan 8.370 nan 0.000 0.460 126 N N -0.248 118.449 118.700 -0.006 0.000 2.314 126 N HA 0.369 5.109 4.740 -0.000 0.000 0.304 126 N C -1.064 174.432 175.510 -0.023 0.000 1.073 126 N CA -0.426 52.612 53.050 -0.019 0.000 0.822 126 N CB 2.998 41.478 38.487 -0.012 0.000 1.280 126 N HN -0.244 nan 8.380 nan 0.000 0.489 127 V N 1.015 120.910 119.914 -0.032 0.000 2.531 127 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 127 V C 0.130 176.208 176.094 -0.027 0.000 1.034 127 V CA -1.122 61.162 62.300 -0.027 0.000 0.865 127 V CB 1.483 33.287 31.823 -0.032 0.000 0.995 127 V HN 0.822 nan 8.190 nan 0.000 0.424 128 A N 3.553 126.361 122.820 -0.020 0.000 2.546 128 A HA 0.517 4.837 4.320 -0.000 0.000 0.243 128 A C 1.514 179.084 177.584 -0.023 0.000 1.063 128 A CA 1.043 53.068 52.037 -0.020 0.000 0.757 128 A CB -0.371 18.620 19.000 -0.015 0.000 0.991 128 A HN 2.224 nan 8.150 nan 0.000 0.503 129 G N 1.355 110.140 108.800 -0.026 0.000 2.254 129 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.225 129 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.225 129 G C 0.393 175.270 174.900 -0.038 0.000 1.003 129 G CA 0.225 45.308 45.100 -0.028 0.000 0.622 129 G HN 0.736 nan 8.290 nan 0.000 0.507 130 M N 0.165 119.739 119.600 -0.044 0.000 2.228 130 M HA 0.400 4.880 4.480 -0.000 0.000 0.326 130 M C 1.692 177.949 176.300 -0.072 0.000 1.122 130 M CA -0.154 55.109 55.300 -0.061 0.000 1.161 130 M CB 0.638 33.199 32.600 -0.065 0.000 1.437 130 M HN 0.125 nan 8.290 nan 0.000 0.465 131 R N 0.179 120.618 120.500 -0.101 0.000 2.246 131 R HA 0.071 4.411 4.340 -0.000 0.000 0.199 131 R C 0.158 176.398 176.300 -0.100 0.000 0.984 131 R CA 0.579 56.607 56.100 -0.121 0.000 1.015 131 R CB 0.284 30.455 30.300 -0.215 0.000 0.930 131 R HN 0.610 nan 8.270 nan 0.000 0.475 132 E N 0.710 120.856 120.200 -0.090 0.000 2.222 132 E HA 0.117 4.467 4.350 -0.000 0.000 0.267 132 E C -0.925 175.636 176.600 -0.065 0.000 0.884 132 E CA -0.650 55.701 56.400 -0.081 0.000 0.764 132 E CB 1.269 30.917 29.700 -0.086 0.000 1.169 132 E HN -0.147 nan 8.360 nan 0.000 0.413 133 Q N 1.386 121.151 119.800 -0.059 0.000 2.243 133 Q HA 0.418 4.758 4.340 -0.000 0.000 0.252 133 Q C -0.479 175.499 176.000 -0.037 0.000 0.909 133 Q CA -0.442 55.336 55.803 -0.041 0.000 0.922 133 Q CB 1.696 30.414 28.738 -0.034 0.000 1.215 133 Q HN 0.630 nan 8.270 nan 0.000 0.427 134 A N 2.200 125.013 122.820 -0.011 0.000 2.483 134 A HA 0.199 4.519 4.320 -0.000 0.000 0.238 134 A C -0.130 177.462 177.584 0.014 0.000 1.070 134 A CA 0.188 52.237 52.037 0.021 0.000 0.770 134 A CB 0.175 19.210 19.000 0.057 0.000 1.008 134 A HN 0.631 nan 8.150 nan 0.000 0.497 135 D N 0.506 120.926 120.400 0.033 0.000 2.319 135 D HA 0.162 4.802 4.640 -0.000 0.000 0.237 135 D C 0.737 177.028 176.300 -0.016 0.000 1.353 135 D CA -0.458 53.548 54.000 0.010 0.000 0.992 135 D CB 0.606 41.411 40.800 0.009 0.000 1.368 135 D HN 0.561 nan 8.370 nan 0.000 0.564 136 R N 2.126 122.535 120.500 -0.151 0.000 2.152 136 R HA 0.026 4.366 4.340 -0.000 0.000 0.232 136 R C 1.472 177.392 176.300 -0.634 0.000 1.117 136 R CA 1.088 56.860 56.100 -0.546 0.000 0.981 136 R CB 0.303 30.341 30.300 -0.438 0.000 0.870 136 R HN 0.257 nan 8.270 nan 0.000 0.451 137 R N -1.230 119.106 120.500 -0.274 0.000 2.299 137 R HA -0.021 4.319 4.340 -0.000 0.000 0.197 137 R C 0.052 176.298 176.300 -0.089 0.000 0.971 137 R CA 0.193 56.178 56.100 -0.191 0.000 1.030 137 R CB -0.036 30.189 30.300 -0.125 0.000 0.932 137 R HN 0.287 nan 8.270 nan 0.000 0.477 138 H N -0.715 118.298 119.070 -0.095 0.000 2.668 138 H HA 0.143 4.699 4.556 -0.000 0.000 0.303 138 H C 1.341 176.686 175.328 0.028 0.000 1.074 138 H CA -0.230 55.794 56.048 -0.041 0.000 1.406 138 H CB 1.401 31.126 29.762 -0.061 0.000 1.442 138 H HN 0.106 nan 8.280 nan 0.000 0.482 139 G N 2.756 111.555 108.800 -0.002 0.000 2.462 139 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 139 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 139 G C 1.328 176.250 174.900 0.037 0.000 1.121 139 G CA 0.588 45.712 45.100 0.040 0.000 0.758 139 G HN 0.713 nan 8.290 nan 0.000 0.559 140 G N -0.302 108.676 108.800 0.297 0.000 3.393 140 G HA2 0.493 4.453 3.960 -0.000 0.000 0.255 140 G HA3 0.493 4.453 3.960 -0.000 0.000 0.255 140 G C 0.643 175.375 174.900 -0.280 0.000 1.097 140 G CA 0.456 45.594 45.100 0.064 0.000 0.780 140 G HN 0.597 nan 8.290 nan 0.000 0.540 141 G N -0.116 108.551 108.800 -0.222 0.000 2.535 141 G HA2 0.511 4.471 3.960 -0.000 0.000 0.303 141 G HA3 0.511 4.471 3.960 -0.000 0.000 0.303 141 G C -0.283 174.510 174.900 -0.179 0.000 1.237 141 G CA -0.969 43.987 45.100 -0.240 0.000 0.986 141 G HN 0.238 nan 8.290 nan 0.000 0.494 142 R N -0.625 119.873 120.500 -0.004 0.000 2.340 142 R HA 0.237 4.577 4.340 -0.000 0.000 0.300 142 R C 0.273 176.734 176.300 0.269 0.000 1.069 142 R CA -0.169 55.987 56.100 0.093 0.000 0.984 142 R CB 0.816 31.158 30.300 0.070 0.000 1.003 142 R HN 0.744 nan 8.270 nan 0.000 0.459 143 H N 0.735 119.883 119.070 0.130 0.000 2.654 143 H HA 0.135 4.691 4.556 -0.000 0.000 0.264 143 H C 1.045 176.670 175.328 0.496 0.000 0.954 143 H CA 0.214 56.385 56.048 0.205 0.000 1.199 143 H CB 0.999 30.811 29.762 0.083 0.000 1.446 143 H HN 1.003 nan 8.280 nan 0.000 0.516 144 G N 0.889 110.008 108.800 0.532 0.000 2.159 144 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.170 144 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.170 144 G C 0.627 175.664 174.900 0.229 0.000 1.007 144 G CA -0.235 45.071 45.100 0.345 0.000 0.672 144 G HN 0.596 nan 8.290 nan 0.000 0.507 145 G N 0.246 109.253 108.800 0.345 0.000 2.554 145 G HA2 0.571 4.531 3.960 -0.000 0.000 0.238 145 G HA3 0.571 4.531 3.960 -0.000 0.000 0.238 145 G C -0.009 175.054 174.900 0.273 0.000 1.259 145 G CA 0.933 46.118 45.100 0.141 0.000 0.843 145 G HN 1.025 nan 8.290 nan 0.000 0.582 146 D N -0.625 119.881 120.400 0.177 0.000 2.677 146 D HA 0.220 4.860 4.640 -0.000 0.000 0.298 146 D C 1.035 177.432 176.300 0.161 0.000 1.250 146 D CA -0.885 53.275 54.000 0.267 0.000 0.888 146 D CB 0.457 41.357 40.800 0.167 0.000 1.397 146 D HN 0.199 nan 8.370 nan 0.000 0.461 147 I N -0.532 120.139 120.570 0.168 0.000 2.226 147 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 147 I C 2.609 178.766 176.117 0.067 0.000 1.100 147 I CA 0.911 62.282 61.300 0.118 0.000 1.374 147 I CB -0.221 37.871 38.000 0.153 0.000 1.057 147 I HN 0.417 nan 8.210 nan 0.000 0.413 148 R N 1.190 121.717 120.500 0.045 0.000 2.096 148 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 148 R C 2.338 178.609 176.300 -0.048 0.000 1.139 148 R CA 2.010 58.104 56.100 -0.009 0.000 0.952 148 R CB -0.706 29.583 30.300 -0.019 0.000 0.854 148 R HN 0.424 nan 8.270 nan 0.000 0.436 149 G N -0.668 108.108 108.800 -0.041 0.000 2.446 149 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 149 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 149 G C 1.352 176.270 174.900 0.030 0.000 1.168 149 G CA 1.389 46.451 45.100 -0.063 0.000 0.771 149 G HN 0.394 nan 8.290 nan 0.000 0.551 150 T N 1.394 116.031 114.554 0.138 0.000 2.652 150 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 150 T C 2.394 177.171 174.700 0.128 0.000 1.039 150 T CA 1.206 63.471 62.100 0.274 0.000 1.153 150 T CB -0.233 68.765 68.868 0.218 0.000 0.863 150 T HN 0.251 nan 8.240 nan 0.000 0.428 151 I N 1.396 121.980 120.570 0.024 0.000 2.194 151 I HA -0.224 3.946 4.170 -0.000 0.000 0.246 151 I C 2.289 178.332 176.117 -0.123 0.000 1.093 151 I CA 1.272 62.549 61.300 -0.038 0.000 1.355 151 I CB -0.468 37.506 38.000 -0.044 0.000 1.046 151 I HN 0.161 nan 8.210 nan 0.000 0.413 152 D N -0.090 120.168 120.400 -0.235 0.000 2.190 152 D HA -0.186 4.454 4.640 -0.000 0.000 0.200 152 D C 1.570 177.442 176.300 -0.712 0.000 0.992 152 D CA 1.395 55.088 54.000 -0.511 0.000 0.854 152 D CB -0.208 40.145 40.800 -0.746 0.000 0.936 152 D HN 0.497 nan 8.370 nan 0.000 0.462 153 H N -0.792 118.155 119.070 -0.205 0.000 2.581 153 H HA 0.234 4.790 4.556 -0.000 0.000 0.275 153 H C 1.920 177.273 175.328 0.042 0.000 1.126 153 H CA -0.145 55.766 56.048 -0.229 0.000 1.097 153 H CB 0.512 29.873 29.762 -0.668 0.000 1.626 153 H HN 0.111 nan 8.280 nan 0.000 0.565 154 L N 0.240 121.503 121.223 0.068 0.000 2.079 154 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 154 L C 1.976 178.880 176.870 0.056 0.000 1.081 154 L CA 1.200 56.075 54.840 0.059 0.000 0.752 154 L CB -0.141 41.922 42.059 0.006 0.000 0.896 154 L HN 0.090 nan 8.230 nan 0.000 0.433 155 D N -0.755 119.672 120.400 0.046 0.000 2.133 155 D HA -0.259 4.381 4.640 -0.000 0.000 0.195 155 D C 1.880 178.249 176.300 0.115 0.000 0.997 155 D CA 1.418 55.452 54.000 0.057 0.000 0.840 155 D CB -0.225 40.600 40.800 0.041 0.000 0.947 155 D HN 0.365 nan 8.370 nan 0.000 0.452 156 Y N 1.229 121.572 120.300 0.071 0.000 2.145 156 Y HA -0.155 4.395 4.550 -0.000 0.000 0.286 156 Y C 2.197 178.142 175.900 0.074 0.000 1.145 156 Y CA 1.328 59.514 58.100 0.145 0.000 1.148 156 Y CB -0.410 38.236 38.460 0.311 0.000 0.981 156 Y HN -0.092 nan 8.280 nan 0.000 0.507 157 I N 0.340 120.889 120.570 -0.035 0.000 2.179 157 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 157 I C 2.695 178.728 176.117 -0.141 0.000 1.088 157 I CA 1.317 62.427 61.300 -0.316 0.000 1.357 157 I CB -0.803 36.997 38.000 -0.333 0.000 1.051 157 I HN 0.340 nan 8.210 nan 0.000 0.409 158 A N 0.916 123.704 122.820 -0.054 0.000 1.930 158 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 158 A C 2.439 179.994 177.584 -0.047 0.000 1.175 158 A CA 1.745 53.770 52.037 -0.021 0.000 0.627 158 A CB -1.417 17.579 19.000 -0.007 0.000 0.815 158 A HN 0.465 nan 8.150 nan 0.000 0.443 159 G N -0.292 108.471 108.800 -0.062 0.000 2.448 159 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 159 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 159 G C 1.437 176.275 174.900 -0.103 0.000 1.127 159 G CA 0.934 45.998 45.100 -0.060 0.000 0.766 159 G HN 0.448 nan 8.290 nan 0.000 0.552 160 L N -0.104 121.016 121.223 -0.173 0.000 2.376 160 L HA 0.166 4.506 4.340 -0.000 0.000 0.219 160 L C 2.131 178.860 176.870 -0.236 0.000 1.133 160 L CA 0.765 55.511 54.840 -0.156 0.000 0.816 160 L CB -0.017 41.995 42.059 -0.078 0.000 0.933 160 L HN 0.437 nan 8.230 nan 0.000 0.449 161 G N -1.188 107.479 108.800 -0.221 0.000 2.154 161 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.186 161 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.186 161 G C 0.010 174.663 174.900 -0.411 0.000 1.000 161 G CA -0.676 44.248 45.100 -0.293 0.000 0.664 161 G HN 0.095 nan 8.290 nan 0.000 0.513 162 F N 1.191 121.099 119.950 -0.070 0.000 2.389 162 F HA 0.540 5.067 4.527 -0.000 0.000 0.337 162 F C 1.713 177.500 175.800 -0.022 0.000 1.112 162 F CA 0.695 58.682 58.000 -0.022 0.000 1.192 162 F CB 1.730 40.732 39.000 0.004 0.000 1.185 162 F HN 0.082 nan 8.300 nan 0.000 0.552 163 T N -1.942 112.717 114.554 0.174 0.000 3.040 163 T HA 0.292 4.642 4.350 -0.000 0.000 0.266 163 T C 0.005 174.760 174.700 0.093 0.000 1.005 163 T CA -0.202 61.951 62.100 0.087 0.000 0.906 163 T CB 0.076 68.965 68.868 0.034 0.000 1.082 163 T HN 0.453 nan 8.240 nan 0.000 0.531 164 Q N 0.737 120.618 119.800 0.135 0.000 2.340 164 Q HA 0.546 4.886 4.340 -0.000 0.000 0.276 164 Q C -2.040 174.022 176.000 0.103 0.000 1.048 164 Q CA -0.759 55.094 55.803 0.083 0.000 0.832 164 Q CB 2.994 31.747 28.738 0.025 0.000 1.373 164 Q HN 0.290 nan 8.270 nan 0.000 0.409 165 L N 2.404 123.665 121.223 0.063 0.000 2.305 165 L HA 0.617 4.957 4.340 -0.000 0.000 0.284 165 L C -1.686 175.246 176.870 0.104 0.000 1.013 165 L CA -0.267 54.614 54.840 0.069 0.000 0.819 165 L CB 1.059 43.130 42.059 0.020 0.000 1.227 165 L HN 0.699 nan 8.230 nan 0.000 0.417 166 W N 9.716 130.954 121.300 -0.103 0.000 2.338 166 W HA 0.671 5.331 4.660 -0.000 0.000 0.315 166 W C -2.792 173.648 176.519 -0.131 0.000 1.005 166 W CA -2.991 54.277 57.345 -0.128 0.000 1.380 166 W CB 0.861 30.223 29.460 -0.164 0.000 1.235 166 W HN 0.394 nan 8.180 nan 0.000 0.409 167 P HA 0.248 nan 4.420 nan 0.000 0.288 167 P C 0.274 177.428 177.300 -0.243 0.000 1.267 167 P CA -0.064 62.884 63.100 -0.254 0.000 0.815 167 P CB 1.318 32.946 31.700 -0.121 0.000 0.989 168 T N 0.610 114.903 114.554 -0.436 0.000 2.734 168 T HA 0.212 4.562 4.350 -0.000 0.000 0.314 168 T C -2.284 172.216 174.700 -0.333 0.000 1.057 168 T CA -1.441 60.467 62.100 -0.321 0.000 1.047 168 T CB -1.137 67.481 68.868 -0.416 0.000 0.991 168 T HN 0.213 nan 8.240 nan 0.000 0.540 169 P HA 0.162 nan 4.420 nan 0.000 0.265 169 P C -0.008 177.080 177.300 -0.353 0.000 1.193 169 P CA -0.136 62.724 63.100 -0.400 0.000 0.765 169 P CB 0.258 31.680 31.700 -0.463 0.000 0.823 170 L N 2.925 123.915 121.223 -0.389 0.000 2.616 170 L HA 0.058 4.398 4.340 -0.000 0.000 0.229 170 L C 0.733 177.542 176.870 -0.102 0.000 1.110 170 L CA 0.219 54.865 54.840 -0.323 0.000 0.884 170 L CB -0.290 41.489 42.059 -0.467 0.000 1.115 170 L HN 0.213 nan 8.230 nan 0.000 0.481 171 V N -2.144 117.649 119.914 -0.202 0.000 2.999 171 V HA 0.043 4.163 4.120 -0.000 0.000 0.307 171 V C 0.742 176.828 176.094 -0.012 0.000 1.084 171 V CA -1.005 61.245 62.300 -0.082 0.000 1.155 171 V CB 0.320 32.105 31.823 -0.063 0.000 0.975 171 V HN 0.260 nan 8.190 nan 0.000 0.490 172 E N 2.788 122.999 120.200 0.018 0.000 2.652 172 E HA -0.073 4.277 4.350 -0.000 0.000 0.255 172 E C -0.170 176.395 176.600 -0.058 0.000 0.952 172 E CA 0.430 56.824 56.400 -0.010 0.000 0.947 172 E CB 0.020 29.718 29.700 -0.003 0.000 0.912 172 E HN 0.845 nan 8.360 nan 0.000 0.489 173 N N 4.799 123.464 118.700 -0.059 0.000 2.841 173 N HA 0.022 4.762 4.740 -0.000 0.000 0.257 173 N C -1.315 174.155 175.510 -0.066 0.000 1.396 173 N CA -0.335 52.675 53.050 -0.068 0.000 0.823 173 N CB 0.650 39.079 38.487 -0.096 0.000 1.162 173 N HN 0.378 nan 8.380 nan 0.000 0.503 174 D N 2.027 122.395 120.400 -0.053 0.000 2.713 174 D HA 0.222 4.862 4.640 -0.000 0.000 0.229 174 D C -0.290 175.942 176.300 -0.113 0.000 1.136 174 D CA -0.172 53.782 54.000 -0.077 0.000 1.010 174 D CB -0.076 40.684 40.800 -0.066 0.000 1.084 174 D HN 0.409 nan 8.370 nan 0.000 0.495 175 A N 0.751 123.520 122.820 -0.085 0.000 2.281 175 A HA 0.680 5.000 4.320 -0.000 0.000 0.329 175 A C 1.224 178.718 177.584 -0.151 0.000 1.122 175 A CA -0.083 51.915 52.037 -0.065 0.000 0.850 175 A CB 1.208 20.276 19.000 0.115 0.000 1.207 175 A HN 0.340 nan 8.150 nan 0.000 0.495 176 A N -0.108 122.625 122.820 -0.145 0.000 2.067 176 A HA 0.498 4.818 4.320 -0.000 0.000 0.217 176 A C 1.051 178.621 177.584 -0.025 0.000 1.156 176 A CA 1.633 53.621 52.037 -0.082 0.000 0.683 176 A CB -0.377 18.610 19.000 -0.021 0.000 0.808 176 A HN 2.137 nan 8.150 nan 0.000 0.455 177 A N -3.554 119.293 122.820 0.045 0.000 2.572 177 A HA 0.565 4.884 4.320 -0.000 0.000 0.295 177 A C -0.141 177.543 177.584 0.168 0.000 1.072 177 A CA -0.487 51.565 52.037 0.025 0.000 0.691 177 A CB 0.087 19.157 19.000 0.116 0.000 1.291 177 A HN 0.885 nan 8.150 nan 0.000 0.404 178 Y N 0.372 120.706 120.300 0.056 0.000 3.721 178 Y HA -0.307 4.243 4.550 -0.000 0.000 0.218 178 Y C 2.005 177.812 175.900 -0.154 0.000 1.188 178 Y CA 1.174 59.344 58.100 0.116 0.000 1.607 178 Y CB -2.288 36.298 38.460 0.210 0.000 1.496 178 Y HN 1.056 nan 8.280 nan 0.000 0.626 179 S N -0.921 114.770 115.700 -0.015 0.000 2.447 179 S HA -0.249 4.221 4.470 -0.000 0.000 0.233 179 S C 1.697 176.190 174.600 -0.179 0.000 1.006 179 S CA 1.146 59.267 58.200 -0.133 0.000 0.957 179 S CB -0.712 62.442 63.200 -0.078 0.000 0.773 179 S HN 0.706 nan 8.310 nan 0.000 0.507 180 Y N 2.961 123.186 120.300 -0.125 0.000 2.352 180 Y HA -0.072 4.478 4.550 -0.000 0.000 0.292 180 Y C 2.332 178.279 175.900 0.079 0.000 1.136 180 Y CA 1.141 59.237 58.100 -0.008 0.000 1.227 180 Y CB -1.367 37.100 38.460 0.012 0.000 0.991 180 Y HN 0.659 nan 8.280 nan 0.000 0.545 181 H N -1.531 117.110 119.070 -0.716 0.000 2.512 181 H HA 0.287 4.843 4.556 -0.000 0.000 0.279 181 H C 1.920 177.103 175.328 -0.241 0.000 0.999 181 H CA 0.611 56.311 56.048 -0.579 0.000 1.283 181 H CB -0.179 29.267 29.762 -0.525 0.000 1.421 181 H HN 0.476 nan 8.280 nan 0.000 0.554 182 G N 0.924 109.629 108.800 -0.159 0.000 2.225 182 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.254 182 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.254 182 G C 0.385 175.164 174.900 -0.202 0.000 0.988 182 G CA 0.421 45.408 45.100 -0.190 0.000 0.625 182 G HN 0.530 nan 8.290 nan 0.000 0.527 183 Y N 0.906 121.385 120.300 0.298 0.000 2.502 183 Y HA 0.533 5.083 4.550 -0.000 0.000 0.295 183 Y C 1.805 177.815 175.900 0.183 0.000 1.193 183 Y CA 0.843 59.047 58.100 0.175 0.000 1.295 183 Y CB 0.518 39.015 38.460 0.062 0.000 1.059 183 Y HN 0.591 nan 8.280 nan 0.000 0.514 184 A N 0.412 123.365 122.820 0.221 0.000 3.105 184 A HA 0.733 5.053 4.320 -0.000 0.000 0.336 184 A C 0.159 177.755 177.584 0.020 0.000 1.042 184 A CA -0.560 51.575 52.037 0.162 0.000 0.851 184 A CB -0.681 18.428 19.000 0.181 0.000 1.068 184 A HN 0.171 nan 8.150 nan 0.000 0.477 185 A N 1.067 123.845 122.820 -0.070 0.000 2.511 185 A HA 0.448 4.768 4.320 -0.000 0.000 0.242 185 A C 1.336 178.824 177.584 -0.159 0.000 1.069 185 A CA 0.853 52.761 52.037 -0.216 0.000 0.763 185 A CB -0.031 18.615 19.000 -0.589 0.000 1.001 185 A HN 1.343 nan 8.150 nan 0.000 0.498 186 T N -1.698 112.744 114.554 -0.187 0.000 3.010 186 T HA 0.280 4.630 4.350 -0.000 0.000 0.257 186 T C -0.136 174.204 174.700 -0.600 0.000 1.020 186 T CA 0.576 62.499 62.100 -0.296 0.000 0.938 186 T CB 0.131 68.927 68.868 -0.119 0.000 1.049 186 T HN 0.625 nan 8.240 nan 0.000 0.522 187 D N 0.123 120.312 120.400 -0.353 0.000 2.419 187 D HA 0.149 4.789 4.640 -0.000 0.000 0.219 187 D C 0.032 176.346 176.300 0.024 0.000 1.349 187 D CA -0.404 53.499 54.000 -0.161 0.000 0.964 187 D CB 0.731 41.541 40.800 0.018 0.000 1.463 187 D HN -0.012 nan 8.370 nan 0.000 0.573 188 H N 2.331 121.506 119.070 0.174 0.000 2.521 188 H HA -0.026 4.530 4.556 -0.000 0.000 0.286 188 H C 0.340 175.784 175.328 0.194 0.000 1.034 188 H CA 0.966 57.132 56.048 0.198 0.000 1.278 188 H CB 0.474 30.363 29.762 0.212 0.000 1.386 188 H HN 0.477 nan 8.280 nan 0.000 0.567 189 Y N -0.169 120.313 120.300 0.303 0.000 2.524 189 Y HA 0.223 4.773 4.550 -0.000 0.000 0.266 189 Y C 0.811 176.833 175.900 0.203 0.000 1.180 189 Y CA -0.107 58.010 58.100 0.029 0.000 1.244 189 Y CB 0.794 39.061 38.460 -0.321 0.000 1.125 189 Y HN -0.124 nan 8.280 nan 0.000 0.524 190 R N 0.798 121.577 120.500 0.464 0.000 2.533 190 R HA 0.323 4.663 4.340 -0.000 0.000 0.288 190 R C -1.182 175.331 176.300 0.354 0.000 1.039 190 R CA -0.694 55.643 56.100 0.395 0.000 0.909 190 R CB 1.039 31.481 30.300 0.237 0.000 1.195 190 R HN -0.041 nan 8.270 nan 0.000 0.438 191 I N 3.012 123.807 120.570 0.376 0.000 2.710 191 I HA -0.072 4.098 4.170 -0.000 0.000 0.286 191 I C 0.790 177.014 176.117 0.179 0.000 1.181 191 I CA 0.419 61.847 61.300 0.214 0.000 1.430 191 I CB 0.220 38.362 38.000 0.236 0.000 1.367 191 I HN 0.656 nan 8.210 nan 0.000 0.577 192 D N 8.922 129.418 120.400 0.161 0.000 2.472 192 D HA -0.009 4.631 4.640 -0.000 0.000 0.248 192 D C -1.591 174.728 176.300 0.033 0.000 1.174 192 D CA -1.090 52.943 54.000 0.054 0.000 0.883 192 D CB 1.468 42.239 40.800 -0.050 0.000 1.149 192 D HN 0.239 nan 8.370 nan 0.000 0.488 193 P HA -0.117 nan 4.420 nan 0.000 0.221 193 P C 0.833 178.118 177.300 -0.026 0.000 1.145 193 P CA 1.024 64.136 63.100 0.020 0.000 0.795 193 P CB 0.234 31.939 31.700 0.008 0.000 0.775 194 R N -2.227 118.191 120.500 -0.137 0.000 2.235 194 R HA -0.062 4.278 4.340 -0.000 0.000 0.213 194 R C 1.717 177.916 176.300 -0.169 0.000 1.059 194 R CA 1.028 57.014 56.100 -0.189 0.000 0.997 194 R CB -0.951 29.178 30.300 -0.285 0.000 0.884 194 R HN 0.305 nan 8.270 nan 0.000 0.462 195 Y N -0.824 119.504 120.300 0.047 0.000 2.397 195 Y HA 0.329 4.879 4.550 -0.000 0.000 0.292 195 Y C 1.482 177.423 175.900 0.069 0.000 1.115 195 Y CA 0.579 58.713 58.100 0.056 0.000 1.208 195 Y CB 0.151 38.642 38.460 0.051 0.000 1.046 195 Y HN 0.178 nan 8.280 nan 0.000 0.552 196 G N -0.790 108.136 108.800 0.209 0.000 2.320 196 G HA2 0.209 4.169 3.960 -0.000 0.000 0.274 196 G HA3 0.209 4.169 3.960 -0.000 0.000 0.274 196 G C -0.964 174.048 174.900 0.186 0.000 1.324 196 G CA -0.525 44.678 45.100 0.171 0.000 0.957 196 G HN 0.310 nan 8.290 nan 0.000 0.481 197 S N -0.523 115.294 115.700 0.195 0.000 2.713 197 S HA 0.526 4.996 4.470 -0.000 0.000 0.283 197 S C 1.142 175.938 174.600 0.327 0.000 1.161 197 S CA 0.188 58.525 58.200 0.227 0.000 0.999 197 S CB 1.699 65.012 63.200 0.188 0.000 1.039 197 S HN 0.602 nan 8.310 nan 0.000 0.548 198 N N 1.234 120.179 118.700 0.407 0.000 2.094 198 N HA -0.126 4.613 4.740 -0.000 0.000 0.191 198 N C 1.437 177.258 175.510 0.519 0.000 1.023 198 N CA 1.820 55.233 53.050 0.606 0.000 0.857 198 N CB -0.694 38.217 38.487 0.707 0.000 1.013 198 N HN 0.733 nan 8.380 nan 0.000 0.426 199 E N 0.509 120.928 120.200 0.366 0.000 2.110 199 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 199 E C 1.331 178.027 176.600 0.160 0.000 0.988 199 E CA 0.896 57.434 56.400 0.229 0.000 0.804 199 E CB -0.207 29.599 29.700 0.176 0.000 0.745 199 E HN 0.342 nan 8.360 nan 0.000 0.458 200 D N -0.346 120.167 120.400 0.189 0.000 2.149 200 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 200 D C 1.634 178.038 176.300 0.174 0.000 0.990 200 D CA 0.704 54.795 54.000 0.152 0.000 0.839 200 D CB -0.268 40.631 40.800 0.166 0.000 0.948 200 D HN 0.142 nan 8.370 nan 0.000 0.460 201 F N 1.409 121.422 119.950 0.106 0.000 2.113 201 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 201 F C 2.224 178.035 175.800 0.017 0.000 1.103 201 F CA 0.816 58.864 58.000 0.080 0.000 1.248 201 F CB -0.335 38.762 39.000 0.162 0.000 0.999 201 F HN -0.225 nan 8.300 nan 0.000 0.475 202 V N 0.736 120.638 119.914 -0.020 0.000 2.332 202 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 202 V C 2.569 178.550 176.094 -0.188 0.000 1.055 202 V CA 2.358 64.523 62.300 -0.224 0.000 1.038 202 V CB -0.850 30.790 31.823 -0.305 0.000 0.651 202 V HN 0.292 nan 8.190 nan 0.000 0.450 203 R N -0.404 120.037 120.500 -0.097 0.000 2.092 203 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 203 R C 2.257 178.491 176.300 -0.110 0.000 1.119 203 R CA 1.454 57.505 56.100 -0.080 0.000 0.970 203 R CB -0.350 29.933 30.300 -0.029 0.000 0.864 203 R HN 0.464 nan 8.270 nan 0.000 0.440 204 L N 0.308 121.449 121.223 -0.136 0.000 2.012 204 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 204 L C 2.216 178.955 176.870 -0.218 0.000 1.073 204 L CA 2.279 57.020 54.840 -0.165 0.000 0.748 204 L CB -0.966 40.983 42.059 -0.183 0.000 0.891 204 L HN 0.129 nan 8.230 nan 0.000 0.431 205 S N -1.378 114.126 115.700 -0.327 0.000 2.359 205 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 205 S C 2.067 176.567 174.600 -0.168 0.000 1.035 205 S CA 2.095 60.130 58.200 -0.275 0.000 1.018 205 S CB -0.693 62.310 63.200 -0.328 0.000 0.876 205 S HN 0.819 nan 8.310 nan 0.000 0.448 206 T N -0.415 114.050 114.554 -0.148 0.000 2.821 206 T HA 0.014 4.364 4.350 -0.000 0.000 0.267 206 T C 1.663 176.315 174.700 -0.080 0.000 1.046 206 T CA 1.135 63.173 62.100 -0.102 0.000 1.139 206 T CB -0.480 68.335 68.868 -0.089 0.000 0.871 206 T HN 0.291 nan 8.240 nan 0.000 0.454 207 E N 1.723 121.874 120.200 -0.081 0.000 2.106 207 E HA 0.070 4.420 4.350 -0.000 0.000 0.192 207 E C 2.657 179.223 176.600 -0.057 0.000 0.984 207 E CA 1.224 57.586 56.400 -0.063 0.000 0.806 207 E CB -0.742 28.922 29.700 -0.060 0.000 0.750 207 E HN 0.685 nan 8.360 nan 0.000 0.458 208 A N 1.635 124.414 122.820 -0.068 0.000 1.877 208 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 208 A C 2.241 179.798 177.584 -0.044 0.000 1.186 208 A CA 1.807 53.812 52.037 -0.053 0.000 0.620 208 A CB -0.545 18.415 19.000 -0.067 0.000 0.822 208 A HN 0.151 nan 8.150 nan 0.000 0.443 209 R N -0.067 120.400 120.500 -0.056 0.000 2.096 209 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 209 R C 1.977 178.256 176.300 -0.035 0.000 1.127 209 R CA 1.821 57.894 56.100 -0.045 0.000 0.968 209 R CB -0.249 30.018 30.300 -0.055 0.000 0.861 209 R HN 0.510 nan 8.270 nan 0.000 0.440 210 K N -0.225 120.153 120.400 -0.037 0.000 2.211 210 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 210 K C 1.707 178.293 176.600 -0.023 0.000 1.047 210 K CA 1.307 57.576 56.287 -0.030 0.000 0.935 210 K CB 0.017 32.498 32.500 -0.032 0.000 0.728 210 K HN 0.124 nan 8.250 nan 0.000 0.452 211 R N -0.582 119.904 120.500 -0.023 0.000 2.388 211 R HA 0.067 4.407 4.340 -0.000 0.000 0.247 211 R C 0.415 176.708 176.300 -0.012 0.000 0.931 211 R CA 0.384 56.474 56.100 -0.016 0.000 1.082 211 R CB 0.693 30.985 30.300 -0.014 0.000 1.135 211 R HN 0.327 nan 8.270 nan 0.000 0.525 212 G N 1.134 109.926 108.800 -0.014 0.000 2.160 212 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.251 212 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.251 212 G C 0.030 174.928 174.900 -0.003 0.000 1.008 212 G CA 0.153 45.247 45.100 -0.010 0.000 0.724 212 G HN 0.210 nan 8.290 nan 0.000 0.514 213 M N 0.460 120.058 119.600 -0.004 0.000 2.364 213 M HA 0.565 5.045 4.480 -0.000 0.000 0.334 213 M C 0.906 177.203 176.300 -0.005 0.000 1.107 213 M CA -0.177 55.127 55.300 0.007 0.000 0.988 213 M CB 1.990 34.597 32.600 0.012 0.000 1.673 213 M HN 0.203 nan 8.290 nan 0.000 0.441 214 G N 1.625 110.432 108.800 0.012 0.000 2.562 214 G HA2 0.595 4.555 3.960 -0.000 0.000 0.275 214 G HA3 0.595 4.555 3.960 -0.000 0.000 0.275 214 G C -1.641 173.254 174.900 -0.008 0.000 1.196 214 G CA -0.466 44.637 45.100 0.005 0.000 0.908 214 G HN 0.566 nan 8.290 nan 0.000 0.524 215 L N 0.282 121.489 121.223 -0.027 0.000 2.356 215 L HA 0.629 4.969 4.340 -0.000 0.000 0.277 215 L C -0.709 176.165 176.870 0.006 0.000 0.996 215 L CA -0.633 54.184 54.840 -0.039 0.000 0.822 215 L CB 1.576 43.552 42.059 -0.140 0.000 1.256 215 L HN 0.398 nan 8.230 nan 0.000 0.413 216 I N 4.476 125.066 120.570 0.034 0.000 2.362 216 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 216 I C -0.267 175.904 176.117 0.090 0.000 0.994 216 I CA -0.490 60.828 61.300 0.029 0.000 1.158 216 I CB 1.683 39.606 38.000 -0.128 0.000 1.315 216 I HN 0.631 nan 8.210 nan 0.000 0.451 217 Q N 5.064 124.916 119.800 0.087 0.000 2.235 217 Q HA 0.156 4.496 4.340 -0.000 0.000 0.250 217 Q C -0.839 175.173 176.000 0.019 0.000 0.909 217 Q CA -0.607 55.251 55.803 0.092 0.000 0.910 217 Q CB 1.479 30.260 28.738 0.072 0.000 1.223 217 Q HN 0.468 nan 8.270 nan 0.000 0.432 218 D N 3.270 123.697 120.400 0.046 0.000 2.313 218 D HA 0.249 4.889 4.640 -0.000 0.000 0.239 218 D C -1.096 175.188 176.300 -0.027 0.000 1.142 218 D CA -0.216 53.813 54.000 0.049 0.000 0.847 218 D CB 0.992 41.942 40.800 0.249 0.000 1.082 218 D HN 0.377 nan 8.370 nan 0.000 0.480 219 V N 1.681 121.595 119.914 0.001 0.000 2.555 219 V HA 0.629 4.749 4.120 -0.000 0.000 0.302 219 V C -0.195 175.897 176.094 -0.002 0.000 1.038 219 V CA -0.867 61.434 62.300 0.002 0.000 0.887 219 V CB 1.666 33.521 31.823 0.053 0.000 0.991 219 V HN 0.183 nan 8.190 nan 0.000 0.434 220 V N 5.926 125.826 119.914 -0.022 0.000 2.394 220 V HA 0.405 4.525 4.120 -0.000 0.000 0.282 220 V C 0.710 176.714 176.094 -0.150 0.000 1.031 220 V CA -0.253 61.973 62.300 -0.125 0.000 0.881 220 V CB 1.302 32.984 31.823 -0.234 0.000 0.982 220 V HN 0.924 nan 8.190 nan 0.000 0.451 221 L N 2.649 123.748 121.223 -0.207 0.000 2.500 221 L HA 0.097 4.437 4.340 -0.000 0.000 0.219 221 L C 2.259 178.985 176.870 -0.239 0.000 1.057 221 L CA 0.705 55.428 54.840 -0.194 0.000 0.854 221 L CB 0.012 41.965 42.059 -0.177 0.000 1.078 221 L HN 0.735 nan 8.230 nan 0.000 0.480 222 S N -0.926 114.618 115.700 -0.260 0.000 2.414 222 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 222 S C 0.605 175.122 174.600 -0.139 0.000 1.022 222 S CA 0.144 58.234 58.200 -0.183 0.000 0.958 222 S CB -0.082 63.087 63.200 -0.052 0.000 0.797 222 S HN 0.529 nan 8.310 nan 0.000 0.493 223 H N -0.777 118.207 119.070 -0.144 0.000 2.985 223 H HA 0.630 5.186 4.556 -0.000 0.000 0.360 223 H C -0.503 174.776 175.328 -0.082 0.000 1.221 223 H CA -0.973 54.977 56.048 -0.164 0.000 1.121 223 H CB 1.122 30.767 29.762 -0.195 0.000 1.854 223 H HN 0.342 nan 8.280 nan 0.000 0.551 224 I N -1.386 119.205 120.570 0.035 0.000 3.445 224 I HA 0.776 4.945 4.170 -0.000 0.000 0.303 224 I C 0.096 176.231 176.117 0.030 0.000 1.129 224 I CA -1.443 59.858 61.300 0.002 0.000 0.989 224 I CB 2.006 39.948 38.000 -0.097 0.000 1.314 224 I HN 0.646 nan 8.210 nan 0.000 0.488 225 G N 0.551 109.367 108.800 0.026 0.000 2.448 225 G HA2 0.292 4.252 3.960 -0.000 0.000 0.285 225 G HA3 0.292 4.252 3.960 -0.000 0.000 0.285 225 G C 0.439 175.343 174.900 0.007 0.000 1.176 225 G CA -0.598 44.525 45.100 0.039 0.000 0.852 225 G HN 0.919 nan 8.290 nan 0.000 0.530 226 K N -0.463 119.913 120.400 -0.040 0.000 2.360 226 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 226 K C 0.808 177.310 176.600 -0.163 0.000 1.046 226 K CA 1.100 57.321 56.287 -0.110 0.000 0.945 226 K CB -0.023 32.383 32.500 -0.157 0.000 0.750 226 K HN 0.527 nan 8.250 nan 0.000 0.464 227 H N 0.089 119.194 119.070 0.059 0.000 2.526 227 H HA 0.053 4.609 4.556 -0.000 0.000 0.274 227 H C -0.012 175.343 175.328 0.045 0.000 0.999 227 H CA -0.103 55.977 56.048 0.054 0.000 1.157 227 H CB -0.224 29.557 29.762 0.031 0.000 1.407 227 H HN 0.268 nan 8.280 nan 0.000 0.568 228 H N 1.787 120.851 119.070 -0.009 0.000 2.928 228 H HA -0.124 4.432 4.556 -0.000 0.000 0.338 228 H C 1.259 176.525 175.328 -0.102 0.000 1.047 228 H CA 0.087 56.040 56.048 -0.159 0.000 1.435 228 H CB 0.460 30.011 29.762 -0.352 0.000 1.428 228 H HN 0.500 nan 8.280 nan 0.000 0.590 229 W N 5.024 126.228 121.300 -0.160 0.000 2.364 229 W HA -0.148 4.512 4.660 -0.000 0.000 0.281 229 W C 0.965 177.589 176.519 0.176 0.000 1.219 229 W CA -0.152 57.184 57.345 -0.015 0.000 1.220 229 W CB -1.103 28.278 29.460 -0.133 0.000 1.127 229 W HN 0.546 nan 8.180 nan 0.000 0.556 230 W N 1.125 122.202 121.300 -0.372 0.000 2.350 230 W HA -0.193 4.467 4.660 -0.000 0.000 0.289 230 W C 2.372 178.774 176.519 -0.195 0.000 1.215 230 W CA 0.918 57.948 57.345 -0.526 0.000 1.236 230 W CB -1.266 27.708 29.460 -0.810 0.000 1.130 230 W HN -0.082 nan 8.180 nan 0.000 0.541 231 M N 0.138 119.833 119.600 0.159 0.000 2.460 231 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 231 M C 1.557 177.939 176.300 0.136 0.000 1.071 231 M CA 1.142 56.518 55.300 0.127 0.000 1.096 231 M CB -1.206 31.460 32.600 0.110 0.000 1.408 231 M HN 0.068 nan 8.290 nan 0.000 0.463 232 K N -0.092 120.413 120.400 0.176 0.000 2.296 232 K HA -0.058 4.262 4.320 -0.000 0.000 0.200 232 K C 0.052 176.757 176.600 0.175 0.000 1.048 232 K CA 0.691 57.084 56.287 0.178 0.000 0.966 232 K CB 0.196 32.826 32.500 0.217 0.000 0.754 232 K HN 0.104 nan 8.250 nan 0.000 0.466 233 D N 0.219 120.732 120.400 0.189 0.000 2.634 233 D HA 0.112 4.752 4.640 -0.000 0.000 0.236 233 D C -1.112 175.259 176.300 0.119 0.000 1.323 233 D CA -0.210 53.910 54.000 0.199 0.000 0.884 233 D CB 0.181 41.164 40.800 0.305 0.000 1.496 233 D HN -0.098 nan 8.370 nan 0.000 0.525 234 L N 3.315 124.527 121.223 -0.018 0.000 2.628 234 L HA 0.133 4.473 4.340 -0.000 0.000 0.274 234 L C -1.058 175.524 176.870 -0.479 0.000 1.209 234 L CA -0.899 53.800 54.840 -0.235 0.000 0.930 234 L CB 0.463 42.458 42.059 -0.107 0.000 1.183 234 L HN 0.245 nan 8.230 nan 0.000 0.492 235 P HA -0.114 nan 4.420 nan 0.000 0.216 235 P C 0.267 177.138 177.300 -0.715 0.000 1.153 235 P CA 1.192 63.317 63.100 -1.626 0.000 0.858 235 P CB 0.131 30.300 31.700 -2.552 0.000 0.789 236 T N -7.776 106.526 114.554 -0.421 0.000 2.896 236 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 236 T C -2.537 172.131 174.700 -0.054 0.000 1.108 236 T CA -2.222 59.805 62.100 -0.122 0.000 1.004 236 T CB 1.705 70.574 68.868 0.001 0.000 1.159 236 T HN -0.301 nan 8.240 nan 0.000 0.499 237 P HA -0.011 nan 4.420 nan 0.000 0.219 237 P C 0.689 177.997 177.300 0.014 0.000 1.146 237 P CA 1.071 64.172 63.100 0.001 0.000 0.808 237 P CB -0.016 31.686 31.700 0.002 0.000 0.779 238 D N -2.870 117.533 120.400 0.004 0.000 2.424 238 D HA -0.068 4.572 4.640 -0.000 0.000 0.220 238 D C 1.374 177.652 176.300 -0.036 0.000 1.150 238 D CA -0.528 53.457 54.000 -0.025 0.000 0.831 238 D CB -1.256 39.506 40.800 -0.063 0.000 0.981 238 D HN 0.234 nan 8.370 nan 0.000 0.500 239 W N 1.025 122.184 121.300 -0.235 0.000 2.363 239 W HA 0.009 4.669 4.660 -0.000 0.000 0.296 239 W C -0.334 176.015 176.519 -0.283 0.000 1.212 239 W CA 0.572 57.715 57.345 -0.336 0.000 1.260 239 W CB 0.309 29.486 29.460 -0.473 0.000 1.131 239 W HN -0.127 nan 8.180 nan 0.000 0.530 240 I N 1.751 122.330 120.570 0.016 0.000 2.377 240 I HA 0.116 4.286 4.170 -0.000 0.000 0.293 240 I C -0.035 176.105 176.117 0.038 0.000 0.987 240 I CA -1.048 60.248 61.300 -0.006 0.000 1.185 240 I CB 0.595 38.658 38.000 0.105 0.000 1.341 240 I HN -0.141 nan 8.210 nan 0.000 0.455 241 N N 4.998 123.706 118.700 0.012 0.000 2.374 241 N HA -0.011 4.729 4.740 -0.000 0.000 0.241 241 N C -0.738 174.905 175.510 0.221 0.000 1.262 241 N CA 0.263 53.303 53.050 -0.016 0.000 0.880 241 N CB 0.013 38.462 38.487 -0.063 0.000 1.105 241 N HN 0.410 nan 8.380 nan 0.000 0.438 242 Y N -0.430 119.953 120.300 0.139 0.000 3.689 242 Y HA -0.215 4.335 4.550 -0.000 0.000 0.221 242 Y C 1.349 177.293 175.900 0.075 0.000 1.247 242 Y CA 0.818 58.962 58.100 0.073 0.000 1.671 242 Y CB -2.164 36.296 38.460 0.000 0.000 1.521 242 Y HN 0.905 nan 8.280 nan 0.000 0.632 243 G N -1.134 107.750 108.800 0.140 0.000 2.225 243 G HA2 0.069 4.029 3.960 -0.000 0.000 0.267 243 G HA3 0.069 4.029 3.960 -0.000 0.000 0.267 243 G C 1.445 176.446 174.900 0.169 0.000 1.024 243 G CA 1.216 46.386 45.100 0.118 0.000 0.784 243 G HN 2.143 nan 8.290 nan 0.000 0.507 244 G N -1.171 107.798 108.800 0.281 0.000 2.162 244 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.260 244 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.260 244 G C 0.308 175.469 174.900 0.436 0.000 0.976 244 G CA 1.464 46.795 45.100 0.384 0.000 0.655 244 G HN 1.978 nan 8.290 nan 0.000 0.533 245 K N -0.668 119.873 120.400 0.236 0.000 2.164 245 K HA 0.717 5.037 4.320 -0.000 0.000 0.258 245 K C 0.011 176.211 176.600 -0.666 0.000 0.951 245 K CA -1.367 54.874 56.287 -0.076 0.000 0.844 245 K CB 1.453 33.917 32.500 -0.061 0.000 1.099 245 K HN 0.289 nan 8.250 nan 0.000 0.435 246 F N 3.565 122.812 119.950 -1.172 0.000 2.557 246 F HA 0.192 4.719 4.527 -0.000 0.000 0.384 246 F C -1.097 174.110 175.800 -0.987 0.000 1.057 246 F CA 0.031 57.034 58.000 -1.661 0.000 1.169 246 F CB 0.383 38.857 39.000 -0.877 0.000 1.070 246 F HN 0.221 nan 8.300 nan 0.000 0.554 247 V N 9.185 128.167 119.914 -1.554 0.000 2.447 247 V HA 0.322 4.442 4.120 -0.000 0.000 0.292 247 V C -2.141 173.360 176.094 -0.989 0.000 1.021 247 V CA -1.630 59.928 62.300 -1.237 0.000 0.850 247 V CB 1.659 32.756 31.823 -1.209 0.000 1.005 247 V HN 0.643 nan 8.190 nan 0.000 0.426 248 P HA 0.127 nan 4.420 nan 0.000 0.275 248 P C -0.012 177.151 177.300 -0.227 0.000 1.228 248 P CA 0.145 62.993 63.100 -0.420 0.000 0.786 248 P CB 1.001 32.524 31.700 -0.295 0.000 0.927 249 T N 1.598 116.075 114.554 -0.129 0.000 2.913 249 T HA 0.081 4.431 4.350 -0.000 0.000 0.297 249 T C 0.899 175.414 174.700 -0.307 0.000 1.029 249 T CA 0.113 62.092 62.100 -0.201 0.000 1.104 249 T CB 0.122 68.844 68.868 -0.244 0.000 0.964 249 T HN 0.249 nan 8.240 nan 0.000 0.532 250 Q N 1.403 121.065 119.800 -0.231 0.000 2.247 250 Q HA 0.256 4.596 4.340 -0.000 0.000 0.204 250 Q C -0.145 175.695 176.000 -0.267 0.000 0.872 250 Q CA 0.155 55.817 55.803 -0.236 0.000 0.951 250 Q CB -0.117 28.471 28.738 -0.250 0.000 1.099 250 Q HN 0.970 nan 8.270 nan 0.000 0.501 251 H N -2.032 117.030 119.070 -0.013 0.000 2.839 251 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 251 H C -0.897 174.456 175.328 0.042 0.000 1.224 251 H CA 0.491 56.678 56.048 0.232 0.000 1.144 251 H CB -2.312 27.548 29.762 0.163 0.000 1.372 251 H HN 0.465 nan 8.280 nan 0.000 0.408 252 H N 0.941 120.132 119.070 0.202 0.000 3.195 252 H HA 0.063 4.619 4.556 -0.000 0.000 0.241 252 H C 1.782 176.786 175.328 -0.540 0.000 1.823 252 H CA 0.081 56.083 56.048 -0.076 0.000 1.466 252 H CB 0.335 30.087 29.762 -0.018 0.000 1.819 252 H HN 0.529 nan 8.280 nan 0.000 0.575 253 R N 0.575 120.660 120.500 -0.691 0.000 2.120 253 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 253 R C 1.494 177.395 176.300 -0.666 0.000 1.123 253 R CA 1.700 56.967 56.100 -1.387 0.000 0.975 253 R CB -0.488 29.427 30.300 -0.642 0.000 0.866 253 R HN 0.445 nan 8.270 nan 0.000 0.446 254 V N -1.722 118.005 119.914 -0.311 0.000 3.141 254 V HA 0.196 4.316 4.120 -0.000 0.000 0.265 254 V C 2.332 178.335 176.094 -0.152 0.000 1.126 254 V CA 1.024 63.218 62.300 -0.177 0.000 1.141 254 V CB -0.313 31.449 31.823 -0.102 0.000 0.743 254 V HN 0.364 nan 8.190 nan 0.000 0.492 255 A N 1.450 124.169 122.820 -0.169 0.000 2.070 255 A HA -0.053 4.266 4.320 -0.000 0.000 0.220 255 A C 2.249 179.801 177.584 -0.053 0.000 1.159 255 A CA 1.977 53.967 52.037 -0.077 0.000 0.656 255 A CB -0.747 18.241 19.000 -0.021 0.000 0.800 255 A HN 1.248 nan 8.150 nan 0.000 0.453 256 V N -2.157 117.705 119.914 -0.087 0.000 3.461 256 V HA 0.016 4.136 4.120 -0.000 0.000 0.267 256 V C 0.803 176.817 176.094 -0.135 0.000 1.186 256 V CA 1.215 63.483 62.300 -0.053 0.000 1.154 256 V CB -1.077 30.776 31.823 0.049 0.000 0.802 256 V HN 0.788 nan 8.190 nan 0.000 0.474 257 Q N 0.198 119.936 119.800 -0.103 0.000 2.409 257 Q HA 0.467 4.807 4.340 -0.000 0.000 0.345 257 Q C -0.940 175.121 176.000 0.102 0.000 0.847 257 Q CA -0.290 55.486 55.803 -0.046 0.000 1.092 257 Q CB 0.560 29.178 28.738 -0.201 0.000 1.377 257 Q HN 0.465 nan 8.270 nan 0.000 0.399 258 D N 1.296 121.759 120.400 0.105 0.000 2.788 258 D HA 0.255 4.895 4.640 -0.000 0.000 0.247 258 D C -1.936 174.338 176.300 -0.044 0.000 1.236 258 D CA -2.098 51.883 54.000 -0.033 0.000 0.898 258 D CB 2.227 43.001 40.800 -0.043 0.000 1.401 258 D HN -0.014 nan 8.370 nan 0.000 0.549 259 P HA -0.090 nan 4.420 nan 0.000 0.225 259 P C 0.350 177.477 177.300 -0.289 0.000 1.148 259 P CA 0.785 63.669 63.100 -0.360 0.000 0.779 259 P CB 0.126 31.346 31.700 -0.800 0.000 0.780 260 Y N -0.245 120.029 120.300 -0.043 0.000 2.524 260 Y HA 0.479 5.029 4.550 -0.000 0.000 0.266 260 Y C 1.453 177.335 175.900 -0.030 0.000 1.180 260 Y CA -1.376 56.701 58.100 -0.039 0.000 1.244 260 Y CB -0.988 37.436 38.460 -0.061 0.000 1.125 260 Y HN -0.100 nan 8.280 nan 0.000 0.524 261 A N 1.132 124.002 122.820 0.083 0.000 2.483 261 A HA 0.558 4.878 4.320 -0.000 0.000 0.238 261 A C 0.573 178.184 177.584 0.044 0.000 1.070 261 A CA 0.056 52.121 52.037 0.046 0.000 0.770 261 A CB -0.050 18.966 19.000 0.027 0.000 1.008 261 A HN 0.374 nan 8.150 nan 0.000 0.497 262 A N 1.574 124.409 122.820 0.024 0.000 2.331 262 A HA 0.430 4.750 4.320 -0.000 0.000 0.283 262 A C 1.047 178.651 177.584 0.033 0.000 1.142 262 A CA -0.523 51.528 52.037 0.023 0.000 0.812 262 A CB 0.345 19.348 19.000 0.006 0.000 1.074 262 A HN 0.880 nan 8.150 nan 0.000 0.497 263 Q N 1.726 121.548 119.800 0.036 0.000 2.197 263 Q HA -0.251 4.089 4.340 -0.000 0.000 0.207 263 Q C 2.341 178.377 176.000 0.059 0.000 0.984 263 Q CA 1.853 57.683 55.803 0.045 0.000 0.869 263 Q CB -0.549 28.212 28.738 0.038 0.000 0.906 263 Q HN 0.946 nan 8.270 nan 0.000 0.426 264 A N 1.508 124.359 122.820 0.053 0.000 1.917 264 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 264 A C 1.773 179.414 177.584 0.094 0.000 1.182 264 A CA 1.957 54.034 52.037 0.066 0.000 0.633 264 A CB -0.406 18.620 19.000 0.043 0.000 0.819 264 A HN 0.245 nan 8.150 nan 0.000 0.448 265 D N -1.013 119.436 120.400 0.082 0.000 2.123 265 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 265 D C 2.325 178.721 176.300 0.160 0.000 0.976 265 D CA 1.507 55.582 54.000 0.125 0.000 0.831 265 D CB -0.365 40.459 40.800 0.041 0.000 0.974 265 D HN 0.406 nan 8.370 nan 0.000 0.469 266 S N 0.237 116.006 115.700 0.115 0.000 2.368 266 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 266 S C 1.741 176.445 174.600 0.174 0.000 1.029 266 S CA 1.112 59.392 58.200 0.134 0.000 0.988 266 S CB -0.075 63.173 63.200 0.080 0.000 0.838 266 S HN 0.198 nan 8.310 nan 0.000 0.462 267 E N 1.040 121.324 120.200 0.139 0.000 2.077 267 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 267 E C 2.141 178.861 176.600 0.200 0.000 0.989 267 E CA 1.050 57.535 56.400 0.142 0.000 0.800 267 E CB -0.353 29.419 29.700 0.120 0.000 0.746 267 E HN 0.612 nan 8.360 nan 0.000 0.452 268 N N 0.289 119.115 118.700 0.210 0.000 2.223 268 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 268 N C 1.728 177.368 175.510 0.217 0.000 1.016 268 N CA 0.753 53.927 53.050 0.206 0.000 0.863 268 N CB -0.055 38.528 38.487 0.159 0.000 0.983 268 N HN 0.068 nan 8.380 nan 0.000 0.429 269 F N 1.673 121.665 119.950 0.070 0.000 2.163 269 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 269 F C 2.692 178.533 175.800 0.068 0.000 1.094 269 F CA 1.867 59.875 58.000 0.013 0.000 1.290 269 F CB -0.674 38.300 39.000 -0.042 0.000 1.017 269 F HN 0.081 nan 8.300 nan 0.000 0.483 270 T N -3.245 111.377 114.554 0.113 0.000 3.057 270 T HA 0.065 4.415 4.350 -0.000 0.000 0.254 270 T C 1.629 176.354 174.700 0.041 0.000 1.094 270 T CA 0.661 62.781 62.100 0.034 0.000 1.088 270 T CB -0.097 68.823 68.868 0.086 0.000 0.934 270 T HN 0.235 nan 8.240 nan 0.000 0.497 271 K N 0.646 121.113 120.400 0.111 0.000 2.399 271 K HA 0.334 4.654 4.320 -0.000 0.000 0.196 271 K C 1.351 178.191 176.600 0.401 0.000 1.117 271 K CA -0.012 56.358 56.287 0.139 0.000 0.965 271 K CB 0.378 32.879 32.500 0.000 0.000 0.983 271 K HN 0.359 nan 8.250 nan 0.000 0.531 272 G N 1.304 110.330 108.800 0.378 0.000 2.432 272 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.239 272 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.239 272 G C -0.870 174.265 174.900 0.391 0.000 1.291 272 G CA -0.336 44.964 45.100 0.334 0.000 0.863 272 G HN 0.070 nan 8.290 nan 0.000 0.560 273 W N 2.275 123.623 121.300 0.079 0.000 2.253 273 W HA 0.336 4.996 4.660 -0.000 0.000 0.322 273 W C 1.056 177.638 176.519 0.105 0.000 1.342 273 W CA -1.111 56.328 57.345 0.156 0.000 1.218 273 W CB 0.079 29.741 29.460 0.337 0.000 1.205 273 W HN 0.555 nan 8.180 nan 0.000 0.551 274 F N 2.360 122.349 119.950 0.065 0.000 2.069 274 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 274 F C 1.042 176.869 175.800 0.044 0.000 1.113 274 F CA 2.422 60.357 58.000 -0.108 0.000 1.214 274 F CB -0.026 38.717 39.000 -0.428 0.000 0.978 274 F HN 0.011 nan 8.300 nan 0.000 0.474 275 V N -3.604 116.466 119.914 0.260 0.000 3.206 275 V HA 0.312 4.432 4.120 -0.000 0.000 0.305 275 V C 0.709 176.863 176.094 0.100 0.000 1.257 275 V CA -0.649 61.743 62.300 0.153 0.000 1.057 275 V CB 1.290 33.152 31.823 0.064 0.000 1.075 275 V HN 0.091 nan 8.190 nan 0.000 0.443 276 E N 1.508 121.430 120.200 -0.463 0.000 2.171 276 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 276 E C 1.727 178.267 176.600 -0.100 0.000 0.997 276 E CA 2.158 58.031 56.400 -0.877 0.000 0.810 276 E CB -0.443 28.548 29.700 -1.182 0.000 0.738 276 E HN 1.092 nan 8.360 nan 0.000 0.467 277 G N -0.344 108.422 108.800 -0.057 0.000 2.920 277 G HA2 0.002 3.962 3.960 -0.000 0.000 0.208 277 G HA3 0.002 3.962 3.960 -0.000 0.000 0.208 277 G C 0.529 175.437 174.900 0.014 0.000 1.159 277 G CA -0.158 44.944 45.100 0.004 0.000 0.784 277 G HN 0.126 nan 8.290 nan 0.000 0.535 278 M N 1.196 120.804 119.600 0.013 0.000 2.236 278 M HA 0.261 4.741 4.480 -0.000 0.000 0.228 278 M C -2.791 173.268 176.300 -0.401 0.000 0.906 278 M CA -1.741 53.488 55.300 -0.120 0.000 0.761 278 M CB 2.550 35.017 32.600 -0.222 0.000 1.439 278 M HN -0.223 nan 8.290 nan 0.000 0.394 279 P HA -0.031 nan 4.420 nan 0.000 0.264 279 P C -0.919 175.803 177.300 -0.963 0.000 1.183 279 P CA 0.336 62.487 63.100 -1.581 0.000 0.763 279 P CB 0.460 31.677 31.700 -0.804 0.000 0.807 280 D N 2.291 121.978 120.400 -1.188 0.000 2.274 280 D HA 0.231 4.871 4.640 -0.000 0.000 0.239 280 D C -0.325 175.784 176.300 -0.317 0.000 1.104 280 D CA -0.343 53.364 54.000 -0.487 0.000 0.840 280 D CB 0.279 40.922 40.800 -0.263 0.000 1.100 280 D HN 0.186 nan 8.370 nan 0.000 0.477 281 L N 3.653 124.711 121.223 -0.275 0.000 2.410 281 L HA 0.149 4.489 4.340 -0.000 0.000 0.273 281 L C 0.619 177.258 176.870 -0.384 0.000 1.152 281 L CA -0.360 54.265 54.840 -0.359 0.000 0.855 281 L CB 0.319 42.152 42.059 -0.377 0.000 1.129 281 L HN 0.456 nan 8.230 nan 0.000 0.463 282 N N 3.035 121.471 118.700 -0.439 0.000 2.508 282 N HA 0.035 4.775 4.740 -0.000 0.000 0.253 282 N C 0.503 175.725 175.510 -0.480 0.000 1.145 282 N CA 0.151 52.968 53.050 -0.388 0.000 0.973 282 N CB 0.661 38.950 38.487 -0.329 0.000 1.305 282 N HN 0.517 nan 8.380 nan 0.000 0.506 283 Q N 0.363 119.886 119.800 -0.463 0.000 2.444 283 Q HA -0.024 4.316 4.340 -0.000 0.000 0.206 283 Q C 1.358 177.175 176.000 -0.305 0.000 0.948 283 Q CA 0.856 56.317 55.803 -0.570 0.000 0.946 283 Q CB 0.282 28.489 28.738 -0.884 0.000 1.027 283 Q HN 0.723 nan 8.270 nan 0.000 0.513 284 T N -2.296 112.124 114.554 -0.223 0.000 3.088 284 T HA -0.032 4.318 4.350 -0.000 0.000 0.259 284 T C 0.850 175.458 174.700 -0.153 0.000 1.122 284 T CA -0.074 61.950 62.100 -0.128 0.000 1.095 284 T CB -0.001 68.808 68.868 -0.098 0.000 0.930 284 T HN 0.002 nan 8.240 nan 0.000 0.508 285 N N 2.804 121.358 118.700 -0.244 0.000 2.411 285 N HA 0.189 4.929 4.740 -0.000 0.000 0.259 285 N C -1.996 173.363 175.510 -0.252 0.000 1.103 285 N CA -2.171 50.725 53.050 -0.257 0.000 0.954 285 N CB 1.733 40.010 38.487 -0.349 0.000 1.085 285 N HN 0.022 nan 8.380 nan 0.000 0.485 286 P HA -0.114 nan 4.420 nan 0.000 0.218 286 P C 1.407 178.625 177.300 -0.135 0.000 1.146 286 P CA 1.069 64.104 63.100 -0.109 0.000 0.813 286 P CB 0.320 31.976 31.700 -0.073 0.000 0.778 287 L N -1.640 119.445 121.223 -0.229 0.000 2.093 287 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 287 L C 2.384 179.127 176.870 -0.212 0.000 1.085 287 L CA 1.151 55.863 54.840 -0.213 0.000 0.755 287 L CB -1.116 40.711 42.059 -0.387 0.000 0.904 287 L HN -0.128 nan 8.230 nan 0.000 0.435 288 V N 0.178 119.728 119.914 -0.606 0.000 2.307 288 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 288 V C 2.815 178.713 176.094 -0.327 0.000 1.045 288 V CA 1.735 63.559 62.300 -0.794 0.000 1.024 288 V CB -0.876 30.272 31.823 -1.125 0.000 0.651 288 V HN 0.452 nan 8.190 nan 0.000 0.449 289 A N 0.732 123.407 122.820 -0.242 0.000 1.873 289 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 289 A C 2.067 179.786 177.584 0.224 0.000 1.193 289 A CA 2.338 54.413 52.037 0.063 0.000 0.629 289 A CB -0.842 18.287 19.000 0.216 0.000 0.826 289 A HN 0.592 nan 8.150 nan 0.000 0.447 290 N N -1.445 117.334 118.700 0.130 0.000 2.104 290 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 290 N C 1.574 177.208 175.510 0.207 0.000 1.024 290 N CA 1.808 54.945 53.050 0.145 0.000 0.853 290 N CB -0.720 37.835 38.487 0.113 0.000 1.008 290 N HN 0.698 nan 8.380 nan 0.000 0.424 291 Y N 1.492 121.874 120.300 0.137 0.000 2.128 291 Y HA -0.120 4.430 4.550 -0.000 0.000 0.284 291 Y C 2.215 178.254 175.900 0.230 0.000 1.154 291 Y CA 1.469 59.709 58.100 0.232 0.000 1.149 291 Y CB -0.385 38.248 38.460 0.288 0.000 0.976 291 Y HN -0.023 nan 8.280 nan 0.000 0.505 292 L N -0.533 120.890 121.223 0.334 0.000 2.056 292 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 292 L C 2.427 179.494 176.870 0.328 0.000 1.078 292 L CA 1.365 56.368 54.840 0.272 0.000 0.749 292 L CB -0.562 41.653 42.059 0.258 0.000 0.901 292 L HN 0.270 nan 8.230 nan 0.000 0.433 293 I N -0.474 120.331 120.570 0.393 0.000 2.163 293 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 293 I C 2.676 178.936 176.117 0.238 0.000 1.085 293 I CA 1.492 62.972 61.300 0.301 0.000 1.347 293 I CB -0.328 37.783 38.000 0.185 0.000 1.044 293 I HN 0.346 nan 8.210 nan 0.000 0.408 294 Q N 0.231 120.158 119.800 0.212 0.000 2.084 294 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 294 Q C 2.112 178.347 176.000 0.391 0.000 0.978 294 Q CA 1.583 57.573 55.803 0.312 0.000 0.844 294 Q CB -0.399 28.383 28.738 0.074 0.000 0.898 294 Q HN 0.534 nan 8.270 nan 0.000 0.426 295 N N 0.896 119.667 118.700 0.118 0.000 2.084 295 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 295 N C 1.247 176.909 175.510 0.253 0.000 1.030 295 N CA 1.362 54.377 53.050 -0.059 0.000 0.849 295 N CB 0.020 38.230 38.487 -0.462 0.000 1.012 295 N HN 0.178 nan 8.380 nan 0.000 0.423 296 N N 0.993 119.884 118.700 0.317 0.000 2.188 296 N HA -0.014 4.726 4.740 -0.000 0.000 0.184 296 N C 1.900 177.638 175.510 0.380 0.000 1.018 296 N CA 0.638 53.931 53.050 0.404 0.000 0.858 296 N CB -0.288 38.438 38.487 0.398 0.000 0.989 296 N HN 0.365 nan 8.380 nan 0.000 0.426 297 I N -0.817 119.967 120.570 0.356 0.000 2.226 297 I HA -0.249 3.920 4.170 -0.000 0.000 0.245 297 I C 2.143 178.421 176.117 0.268 0.000 1.100 297 I CA 0.870 62.366 61.300 0.326 0.000 1.374 297 I CB -0.187 38.023 38.000 0.349 0.000 1.057 297 I HN 0.231 nan 8.210 nan 0.000 0.413 298 W N 1.049 122.487 121.300 0.231 0.000 2.318 298 W HA -0.261 4.399 4.660 -0.000 0.000 0.313 298 W C 2.206 178.839 176.519 0.190 0.000 1.221 298 W CA 1.613 59.092 57.345 0.224 0.000 1.266 298 W CB -0.608 29.034 29.460 0.302 0.000 1.150 298 W HN 0.094 nan 8.180 nan 0.000 0.496 299 W N 0.079 121.661 121.300 0.471 0.000 2.358 299 W HA -0.176 4.484 4.660 -0.000 0.000 0.303 299 W C 2.322 178.903 176.519 0.104 0.000 1.208 299 W CA 1.302 58.833 57.345 0.311 0.000 1.274 299 W CB -0.762 28.899 29.460 0.335 0.000 1.138 299 W HN -0.173 nan 8.180 nan 0.000 0.515 300 I N -0.135 120.578 120.570 0.238 0.000 2.179 300 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 300 I C 2.354 178.355 176.117 -0.193 0.000 1.088 300 I CA 1.658 62.925 61.300 -0.054 0.000 1.357 300 I CB -0.525 37.298 38.000 -0.294 0.000 1.051 300 I HN -0.096 nan 8.210 nan 0.000 0.409 301 E N 0.124 120.144 120.200 -0.300 0.000 2.107 301 E HA -0.249 4.101 4.350 -0.000 0.000 0.191 301 E C 2.047 178.450 176.600 -0.329 0.000 0.982 301 E CA 1.232 57.283 56.400 -0.582 0.000 0.809 301 E CB -0.258 28.568 29.700 -1.456 0.000 0.756 301 E HN 0.487 nan 8.360 nan 0.000 0.459 302 Y N -0.151 119.969 120.300 -0.301 0.000 2.220 302 Y HA 0.105 4.655 4.550 -0.000 0.000 0.291 302 Y C 1.772 177.673 175.900 0.002 0.000 1.129 302 Y CA 1.629 59.689 58.100 -0.067 0.000 1.161 302 Y CB -0.376 37.781 38.460 -0.506 0.000 0.997 302 Y HN 0.071 nan 8.280 nan 0.000 0.522 303 A N -0.730 122.065 122.820 -0.041 0.000 2.308 303 A HA 0.407 4.727 4.320 -0.000 0.000 0.217 303 A C 1.584 179.081 177.584 -0.145 0.000 1.216 303 A CA 0.460 52.431 52.037 -0.110 0.000 0.864 303 A CB -1.053 18.081 19.000 0.222 0.000 0.902 303 A HN 0.853 nan 8.150 nan 0.000 0.499 304 G N 0.167 108.891 108.800 -0.126 0.000 2.295 304 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.287 304 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.287 304 G C 0.023 174.842 174.900 -0.134 0.000 1.055 304 G CA 0.371 45.386 45.100 -0.140 0.000 0.922 304 G HN 0.470 nan 8.290 nan 0.000 0.503 305 L N -0.348 120.803 121.223 -0.120 0.000 2.452 305 L HA 0.321 4.660 4.340 -0.000 0.000 0.267 305 L C 1.578 178.387 176.870 -0.101 0.000 1.188 305 L CA 0.056 54.846 54.840 -0.083 0.000 0.821 305 L CB 1.158 43.205 42.059 -0.020 0.000 1.102 305 L HN 0.167 nan 8.230 nan 0.000 0.470 306 S N 0.283 115.969 115.700 -0.024 0.000 2.556 306 S HA 0.359 4.829 4.470 -0.000 0.000 0.216 306 S C 0.414 175.075 174.600 0.101 0.000 0.970 306 S CA 0.326 58.539 58.200 0.021 0.000 0.912 306 S CB 0.516 63.760 63.200 0.073 0.000 0.790 306 S HN 0.950 nan 8.310 nan 0.000 0.504 307 G N 0.496 109.365 108.800 0.114 0.000 2.327 307 G HA2 0.413 4.373 3.960 -0.000 0.000 0.291 307 G HA3 0.413 4.373 3.960 -0.000 0.000 0.291 307 G C -2.316 172.694 174.900 0.183 0.000 1.290 307 G CA -0.982 44.231 45.100 0.189 0.000 0.857 307 G HN 0.150 nan 8.290 nan 0.000 0.520 308 L N -0.145 121.204 121.223 0.210 0.000 2.371 308 L HA 0.757 5.097 4.340 -0.000 0.000 0.262 308 L C -0.084 176.799 176.870 0.023 0.000 1.006 308 L CA -1.127 53.771 54.840 0.098 0.000 0.818 308 L CB 2.403 44.536 42.059 0.124 0.000 1.354 308 L HN 0.571 nan 8.230 nan 0.000 0.415 309 R N 2.548 122.944 120.500 -0.174 0.000 2.387 309 R HA 0.597 4.937 4.340 -0.000 0.000 0.314 309 R C -1.491 174.724 176.300 -0.141 0.000 0.958 309 R CA -0.477 55.419 56.100 -0.340 0.000 0.846 309 R CB 1.207 30.914 30.300 -0.988 0.000 1.147 309 R HN 0.631 nan 8.270 nan 0.000 0.447 310 I N 3.651 124.190 120.570 -0.051 0.000 2.354 310 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 310 I C 0.179 176.333 176.117 0.062 0.000 1.007 310 I CA -0.823 60.509 61.300 0.055 0.000 1.167 310 I CB 1.565 39.678 38.000 0.189 0.000 1.320 310 I HN 0.521 nan 8.210 nan 0.000 0.458 311 D N 4.442 124.867 120.400 0.041 0.000 2.382 311 D HA 0.063 4.703 4.640 -0.000 0.000 0.240 311 D C 0.514 176.814 176.300 -0.000 0.000 1.146 311 D CA 0.651 54.662 54.000 0.019 0.000 0.897 311 D CB 0.731 41.568 40.800 0.061 0.000 1.197 311 D HN 0.775 nan 8.370 nan 0.000 0.432 312 T N 0.548 115.095 114.554 -0.012 0.000 3.639 312 T HA -0.333 4.017 4.350 -0.000 0.000 0.386 312 T C 0.797 175.620 174.700 0.206 0.000 0.764 312 T CA 1.163 63.312 62.100 0.082 0.000 1.954 312 T CB -2.299 66.443 68.868 -0.210 0.000 1.755 312 T HN 0.532 nan 8.240 nan 0.000 0.715 313 Y N 1.798 122.121 120.300 0.039 0.000 2.070 313 Y HA 0.088 4.638 4.550 -0.000 0.000 0.280 313 Y C 2.409 178.150 175.900 -0.265 0.000 1.148 313 Y CA 2.259 60.256 58.100 -0.172 0.000 1.125 313 Y CB -0.815 37.449 38.460 -0.327 0.000 0.975 313 Y HN 0.539 nan 8.280 nan 0.000 0.492 314 G N -2.316 106.367 108.800 -0.196 0.000 2.679 314 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.212 314 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.212 314 G C 0.936 175.834 174.900 -0.003 0.000 1.137 314 G CA 0.251 45.275 45.100 -0.126 0.000 0.787 314 G HN 0.528 nan 8.290 nan 0.000 0.534 315 Y N 1.092 121.258 120.300 -0.223 0.000 2.583 315 Y HA 0.178 4.728 4.550 -0.000 0.000 0.293 315 Y C 1.666 177.425 175.900 -0.236 0.000 1.157 315 Y CA -0.033 57.803 58.100 -0.440 0.000 1.315 315 Y CB 0.260 38.516 38.460 -0.340 0.000 1.021 315 Y HN 0.030 nan 8.280 nan 0.000 0.536 316 S N -0.064 115.585 115.700 -0.084 0.000 2.616 316 S HA 0.064 4.534 4.470 -0.000 0.000 0.277 316 S C -0.524 174.091 174.600 0.024 0.000 1.234 316 S CA -0.970 57.191 58.200 -0.065 0.000 1.028 316 S CB 0.716 63.877 63.200 -0.066 0.000 0.988 316 S HN 0.254 nan 8.310 nan 0.000 0.522 317 D N 0.735 121.175 120.400 0.068 0.000 2.493 317 D HA 0.230 4.870 4.640 -0.000 0.000 0.240 317 D C 1.357 177.794 176.300 0.230 0.000 1.142 317 D CA 0.433 54.510 54.000 0.128 0.000 0.872 317 D CB 0.508 41.359 40.800 0.084 0.000 1.173 317 D HN 0.493 nan 8.370 nan 0.000 0.467 318 G N 2.933 111.866 108.800 0.222 0.000 2.402 318 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.216 318 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.216 318 G C 1.441 176.608 174.900 0.445 0.000 1.162 318 G CA 0.724 46.017 45.100 0.321 0.000 0.777 318 G HN 0.633 nan 8.290 nan 0.000 0.539 319 A N 0.584 123.594 122.820 0.316 0.000 1.902 319 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 319 A C 2.157 179.873 177.584 0.219 0.000 1.181 319 A CA 1.614 53.803 52.037 0.252 0.000 0.623 319 A CB -0.595 18.507 19.000 0.170 0.000 0.818 319 A HN 0.472 nan 8.150 nan 0.000 0.443 320 F N 0.764 120.773 119.950 0.097 0.000 2.095 320 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 320 F C 1.818 177.693 175.800 0.125 0.000 1.104 320 F CA 1.871 59.912 58.000 0.068 0.000 1.232 320 F CB -0.379 38.616 39.000 -0.009 0.000 0.987 320 F HN 0.147 nan 8.300 nan 0.000 0.475 321 L N -0.314 120.852 121.223 -0.095 0.000 2.083 321 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 321 L C 2.398 179.304 176.870 0.061 0.000 1.083 321 L CA 1.799 56.548 54.840 -0.152 0.000 0.752 321 L CB -1.171 40.918 42.059 0.050 0.000 0.899 321 L HN 0.190 nan 8.230 nan 0.000 0.433 322 T N -1.008 113.638 114.554 0.154 0.000 2.684 322 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 322 T C 1.780 176.530 174.700 0.083 0.000 1.036 322 T CA 1.764 63.935 62.100 0.118 0.000 1.148 322 T CB -0.131 68.744 68.868 0.013 0.000 0.863 322 T HN 0.247 nan 8.240 nan 0.000 0.436 323 E N 0.249 120.444 120.200 -0.007 0.000 2.072 323 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 323 E C 1.850 178.378 176.600 -0.120 0.000 0.985 323 E CA 1.006 57.372 56.400 -0.055 0.000 0.801 323 E CB -0.499 29.190 29.700 -0.018 0.000 0.750 323 E HN 0.655 nan 8.360 nan 0.000 0.452 324 Y N 0.998 121.057 120.300 -0.402 0.000 2.097 324 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 324 Y C 2.431 178.233 175.900 -0.164 0.000 1.152 324 Y CA 2.963 60.828 58.100 -0.391 0.000 1.136 324 Y CB -0.889 37.085 38.460 -0.809 0.000 0.975 324 Y HN 0.234 nan 8.280 nan 0.000 0.498 325 T N -1.117 113.485 114.554 0.080 0.000 2.821 325 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 325 T C 2.073 176.716 174.700 -0.094 0.000 1.046 325 T CA 1.377 63.527 62.100 0.083 0.000 1.139 325 T CB -0.553 68.498 68.868 0.305 0.000 0.871 325 T HN 0.422 nan 8.240 nan 0.000 0.454 326 R N 0.846 121.218 120.500 -0.212 0.000 2.070 326 R HA -0.076 4.264 4.340 -0.000 0.000 0.233 326 R C 2.808 178.919 176.300 -0.316 0.000 1.137 326 R CA 1.082 56.858 56.100 -0.541 0.000 0.945 326 R CB -0.154 29.838 30.300 -0.513 0.000 0.845 326 R HN 0.243 nan 8.270 nan 0.000 0.430 327 R N 0.443 120.794 120.500 -0.248 0.000 2.083 327 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 327 R C 2.355 178.531 176.300 -0.206 0.000 1.137 327 R CA 1.223 57.195 56.100 -0.214 0.000 0.951 327 R CB -0.890 29.279 30.300 -0.219 0.000 0.851 327 R HN 0.228 nan 8.270 nan 0.000 0.434 328 L N 0.265 121.329 121.223 -0.265 0.000 2.017 328 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 328 L C 2.447 179.284 176.870 -0.055 0.000 1.073 328 L CA 1.527 56.269 54.840 -0.162 0.000 0.745 328 L CB -0.460 41.431 42.059 -0.280 0.000 0.894 328 L HN 0.095 nan 8.230 nan 0.000 0.432 329 M N -1.385 118.162 119.600 -0.088 0.000 2.319 329 M HA -0.017 4.462 4.480 -0.000 0.000 0.265 329 M C 2.372 178.621 176.300 -0.084 0.000 1.068 329 M CA 1.366 56.639 55.300 -0.046 0.000 1.118 329 M CB -1.510 31.074 32.600 -0.026 0.000 1.395 329 M HN 0.288 nan 8.290 nan 0.000 0.435 330 A N 0.146 122.884 122.820 -0.136 0.000 1.898 330 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 330 A C 2.117 179.597 177.584 -0.173 0.000 1.181 330 A CA 1.229 53.188 52.037 -0.130 0.000 0.620 330 A CB -0.332 18.597 19.000 -0.118 0.000 0.819 330 A HN 0.368 nan 8.150 nan 0.000 0.442 331 E N -0.938 119.096 120.200 -0.276 0.000 2.072 331 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 331 E C -0.393 175.776 176.600 -0.718 0.000 0.985 331 E CA 0.978 57.030 56.400 -0.580 0.000 0.801 331 E CB -0.205 28.964 29.700 -0.884 0.000 0.750 331 E HN 0.742 nan 8.360 nan 0.000 0.452 332 Y N -0.636 119.620 120.300 -0.075 0.000 2.705 332 Y HA 0.280 4.830 4.550 -0.000 0.000 0.355 332 Y C -1.891 173.968 175.900 -0.069 0.000 1.039 332 Y CA -2.432 55.622 58.100 -0.076 0.000 1.233 332 Y CB 1.462 39.872 38.460 -0.083 0.000 1.103 332 Y HN -0.045 nan 8.280 nan 0.000 0.624 333 P HA -0.082 nan 4.420 nan 0.000 0.222 333 P C 0.899 178.201 177.300 0.003 0.000 1.147 333 P CA 1.421 64.523 63.100 0.004 0.000 0.790 333 P CB 0.333 32.026 31.700 -0.012 0.000 0.780 334 R N -1.654 118.851 120.500 0.009 0.000 2.393 334 R HA 0.204 4.544 4.340 -0.000 0.000 0.244 334 R C 0.373 176.637 176.300 -0.061 0.000 0.920 334 R CA -0.581 55.503 56.100 -0.026 0.000 1.076 334 R CB -0.233 30.053 30.300 -0.023 0.000 1.119 334 R HN 0.181 nan 8.270 nan 0.000 0.524 335 L N 1.299 122.500 121.223 -0.037 0.000 2.473 335 L HA 0.098 4.438 4.340 -0.000 0.000 0.268 335 L C -0.009 176.739 176.870 -0.203 0.000 1.215 335 L CA 0.439 55.222 54.840 -0.096 0.000 0.823 335 L CB 0.454 42.497 42.059 -0.026 0.000 1.099 335 L HN -0.059 nan 8.230 nan 0.000 0.483 336 N N 3.236 121.706 118.700 -0.384 0.000 2.314 336 N HA 0.580 5.320 4.740 -0.000 0.000 0.304 336 N C -1.556 173.723 175.510 -0.385 0.000 1.073 336 N CA -0.412 52.270 53.050 -0.614 0.000 0.822 336 N CB 1.389 39.026 38.487 -1.417 0.000 1.280 336 N HN 0.542 nan 8.380 nan 0.000 0.489 337 M N 1.856 121.351 119.600 -0.175 0.000 2.326 337 M HA 0.310 4.790 4.480 -0.000 0.000 0.292 337 M C -1.069 175.267 176.300 0.061 0.000 1.081 337 M CA -1.050 54.275 55.300 0.043 0.000 0.919 337 M CB 2.534 35.186 32.600 0.086 0.000 1.634 337 M HN 0.140 nan 8.290 nan 0.000 0.451 338 V N 2.874 122.863 119.914 0.126 0.000 2.357 338 V HA 0.809 4.929 4.120 -0.000 0.000 0.284 338 V C -0.031 176.018 176.094 -0.076 0.000 1.018 338 V CA -0.082 62.243 62.300 0.041 0.000 0.841 338 V CB 1.426 33.303 31.823 0.089 0.000 0.991 338 V HN 0.948 nan 8.190 nan 0.000 0.437 339 G N 4.473 113.172 108.800 -0.167 0.000 2.420 339 G HA2 0.361 4.321 3.960 -0.000 0.000 0.284 339 G HA3 0.361 4.321 3.960 -0.000 0.000 0.284 339 G C -0.478 174.368 174.900 -0.090 0.000 1.177 339 G CA -0.370 44.572 45.100 -0.263 0.000 0.841 339 G HN 0.746 nan 8.290 nan 0.000 0.527 340 Q N 0.883 120.699 119.800 0.026 0.000 2.503 340 Q HA 0.177 4.517 4.340 -0.000 0.000 0.227 340 Q C -0.804 175.340 176.000 0.240 0.000 1.109 340 Q CA -0.451 55.427 55.803 0.125 0.000 0.922 340 Q CB 0.762 29.516 28.738 0.027 0.000 1.249 340 Q HN 0.517 nan 8.270 nan 0.000 0.530 341 E N 4.547 124.915 120.200 0.279 0.000 2.028 341 E HA 0.032 4.382 4.350 -0.000 0.000 0.266 341 E C -1.431 175.432 176.600 0.437 0.000 0.962 341 E CA -0.249 56.353 56.400 0.337 0.000 0.784 341 E CB 0.236 30.120 29.700 0.307 0.000 1.114 341 E HN 0.577 nan 8.360 nan 0.000 0.414 342 W N 5.387 126.767 121.300 0.134 0.000 2.081 342 W HA 0.244 4.904 4.660 -0.000 0.000 0.433 342 W C -0.345 176.020 176.519 -0.256 0.000 0.876 342 W CA -0.311 57.007 57.345 -0.044 0.000 1.631 342 W CB 0.311 29.780 29.460 0.015 0.000 1.757 342 W HN 0.447 nan 8.180 nan 0.000 0.298 343 S N 1.851 117.315 115.700 -0.394 0.000 2.540 343 S HA 0.309 4.779 4.470 -0.000 0.000 0.275 343 S C 0.446 174.798 174.600 -0.413 0.000 1.123 343 S CA -0.474 57.475 58.200 -0.418 0.000 0.907 343 S CB 2.015 65.166 63.200 -0.082 0.000 1.081 343 S HN 0.147 nan 8.310 nan 0.000 0.476 344 T N 3.278 117.644 114.554 -0.314 0.000 3.169 344 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 344 T C 0.412 175.146 174.700 0.058 0.000 1.111 344 T CA 0.317 62.480 62.100 0.105 0.000 1.010 344 T CB -0.195 68.835 68.868 0.270 0.000 0.984 344 T HN 0.396 nan 8.240 nan 0.000 0.537 345 R N 0.954 121.455 120.500 0.002 0.000 2.207 345 R HA 0.342 4.682 4.340 -0.000 0.000 0.334 345 R C 1.029 177.332 176.300 0.006 0.000 1.013 345 R CA -0.340 55.758 56.100 -0.004 0.000 0.858 345 R CB 1.064 31.346 30.300 -0.030 0.000 1.094 345 R HN 0.016 nan 8.270 nan 0.000 0.457 346 V N 5.528 125.435 119.914 -0.012 0.000 2.278 346 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 346 V C -0.949 175.036 176.094 -0.183 0.000 1.062 346 V CA 1.892 64.150 62.300 -0.070 0.000 1.038 346 V CB -0.928 30.810 31.823 -0.142 0.000 0.646 346 V HN 0.675 nan 8.190 nan 0.000 0.447 347 P HA -0.095 nan 4.420 nan 0.000 0.218 347 P C 1.864 179.093 177.300 -0.118 0.000 1.148 347 P CA 1.167 64.163 63.100 -0.174 0.000 0.822 347 P CB -0.068 31.552 31.700 -0.133 0.000 0.784 348 V N -0.769 119.112 119.914 -0.054 0.000 2.427 348 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 348 V C 2.385 178.551 176.094 0.121 0.000 1.051 348 V CA 1.614 63.915 62.300 0.002 0.000 1.048 348 V CB -1.022 30.816 31.823 0.024 0.000 0.666 348 V HN -0.022 nan 8.190 nan 0.000 0.456 349 V N 0.321 120.338 119.914 0.173 0.000 2.323 349 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 349 V C 2.696 178.992 176.094 0.336 0.000 1.041 349 V CA 1.725 64.236 62.300 0.352 0.000 1.025 349 V CB -1.071 30.983 31.823 0.385 0.000 0.656 349 V HN 0.524 nan 8.190 nan 0.000 0.451 350 A N 0.087 122.950 122.820 0.071 0.000 2.019 350 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 350 A C 2.371 179.961 177.584 0.011 0.000 1.164 350 A CA 1.597 53.601 52.037 -0.055 0.000 0.644 350 A CB -0.639 18.006 19.000 -0.592 0.000 0.805 350 A HN 0.376 nan 8.150 nan 0.000 0.449 351 R N -0.951 119.490 120.500 -0.098 0.000 2.154 351 R HA -0.215 4.125 4.340 -0.000 0.000 0.248 351 R C 1.408 177.619 176.300 -0.149 0.000 1.155 351 R CA 1.965 57.924 56.100 -0.234 0.000 0.979 351 R CB -0.390 29.589 30.300 -0.534 0.000 0.869 351 R HN 0.782 nan 8.270 nan 0.000 0.452 352 W N 0.489 121.880 121.300 0.153 0.000 3.077 352 W HA 0.177 4.837 4.660 -0.000 0.000 0.266 352 W C 0.918 177.509 176.519 0.121 0.000 1.300 352 W CA -0.569 56.893 57.345 0.194 0.000 1.586 352 W CB 0.273 29.815 29.460 0.135 0.000 1.103 352 W HN 0.077 nan 8.180 nan 0.000 0.652 353 Q N 2.065 122.039 119.800 0.291 0.000 2.314 353 Q HA 0.109 4.449 4.340 -0.000 0.000 0.258 353 Q C 0.673 176.744 176.000 0.118 0.000 0.954 353 Q CA -0.604 55.314 55.803 0.192 0.000 0.890 353 Q CB 0.730 29.592 28.738 0.207 0.000 1.210 353 Q HN -0.048 nan 8.270 nan 0.000 0.410 354 R N 2.210 122.755 120.500 0.074 0.000 2.523 354 R HA -0.043 4.297 4.340 -0.000 0.000 0.281 354 R C 0.558 176.859 176.300 0.001 0.000 0.969 354 R CA 1.557 57.659 56.100 0.004 0.000 1.093 354 R CB -0.236 30.072 30.300 0.014 0.000 0.917 354 R HN 0.978 nan 8.270 nan 0.000 0.408 355 G N 2.931 111.708 108.800 -0.038 0.000 2.213 355 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.226 355 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.226 355 G C -0.124 174.771 174.900 -0.009 0.000 0.992 355 G CA 0.275 45.362 45.100 -0.020 0.000 0.632 355 G HN 0.628 nan 8.290 nan 0.000 0.511 356 K N 1.634 122.034 120.400 -0.001 0.000 2.368 356 K HA 0.670 4.990 4.320 -0.000 0.000 0.282 356 K C 0.497 177.087 176.600 -0.018 0.000 1.035 356 K CA 0.539 56.829 56.287 0.004 0.000 0.973 356 K CB 0.823 33.334 32.500 0.018 0.000 0.957 356 K HN 0.837 nan 8.250 nan 0.000 0.474 357 A N 5.126 127.940 122.820 -0.010 0.000 2.391 357 A HA 0.273 4.593 4.320 -0.000 0.000 0.316 357 A C -0.701 176.879 177.584 -0.007 0.000 1.381 357 A CA -0.586 51.442 52.037 -0.015 0.000 0.998 357 A CB -0.552 18.446 19.000 -0.003 0.000 1.147 357 A HN 0.940 nan 8.150 nan 0.000 0.545 358 N N 0.935 119.617 118.700 -0.031 0.000 2.509 358 N HA 0.399 5.139 4.740 -0.000 0.000 0.287 358 N C 0.837 176.307 175.510 -0.066 0.000 1.121 358 N CA -0.461 52.563 53.050 -0.043 0.000 0.977 358 N CB 0.695 39.125 38.487 -0.095 0.000 1.167 358 N HN 0.679 nan 8.380 nan 0.000 0.476 359 F N 0.843 120.756 119.950 -0.062 0.000 2.216 359 F HA -0.086 4.441 4.527 -0.000 0.000 0.300 359 F C 1.386 177.155 175.800 -0.052 0.000 1.085 359 F CA 0.797 58.759 58.000 -0.063 0.000 1.326 359 F CB -0.237 38.710 39.000 -0.088 0.000 1.027 359 F HN 0.419 nan 8.300 nan 0.000 0.497 360 D N -0.810 118.963 120.400 -1.045 0.000 2.340 360 D HA 0.182 4.822 4.640 -0.000 0.000 0.217 360 D C 1.848 177.953 176.300 -0.325 0.000 1.081 360 D CA 0.399 53.945 54.000 -0.755 0.000 0.842 360 D CB -0.257 39.911 40.800 -1.053 0.000 0.934 360 D HN 0.505 nan 8.370 nan 0.000 0.511 361 G N 0.282 108.946 108.800 -0.227 0.000 2.168 361 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.263 361 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.263 361 G C -0.049 174.791 174.900 -0.099 0.000 0.977 361 G CA 0.228 45.254 45.100 -0.124 0.000 0.659 361 G HN 0.524 nan 8.290 nan 0.000 0.533 362 Y N 2.399 122.567 120.300 -0.219 0.000 2.632 362 Y HA 0.433 4.983 4.550 -0.000 0.000 0.329 362 Y C 0.645 176.478 175.900 -0.113 0.000 1.174 362 Y CA 1.076 59.079 58.100 -0.162 0.000 1.469 362 Y CB 0.622 38.952 38.460 -0.217 0.000 1.242 362 Y HN 0.130 nan 8.280 nan 0.000 0.540 363 T N 5.615 119.690 114.554 -0.799 0.000 2.823 363 T HA 0.447 4.797 4.350 -0.000 0.000 0.279 363 T C -0.861 173.411 174.700 -0.714 0.000 0.998 363 T CA -0.800 60.951 62.100 -0.582 0.000 0.994 363 T CB 1.323 69.971 68.868 -0.368 0.000 0.960 363 T HN 0.579 nan 8.240 nan 0.000 0.448 364 S N 0.626 116.083 115.700 -0.405 0.000 2.568 364 S HA 0.466 4.936 4.470 -0.000 0.000 0.293 364 S C -0.542 173.892 174.600 -0.278 0.000 1.089 364 S CA -0.648 57.466 58.200 -0.143 0.000 0.945 364 S CB 0.861 64.202 63.200 0.235 0.000 1.077 364 S HN 0.815 nan 8.310 nan 0.000 0.485 365 H N 1.646 120.760 119.070 0.074 0.000 2.592 365 H HA 0.373 4.929 4.556 -0.000 0.000 0.279 365 H C -0.249 175.121 175.328 0.069 0.000 1.089 365 H CA -0.316 55.762 56.048 0.049 0.000 1.150 365 H CB 0.354 30.126 29.762 0.016 0.000 1.575 365 H HN 0.280 nan 8.280 nan 0.000 0.547 366 L N 2.832 124.164 121.223 0.182 0.000 2.433 366 L HA 0.188 4.528 4.340 -0.000 0.000 0.275 366 L C -1.817 175.085 176.870 0.054 0.000 1.128 366 L CA -1.651 53.260 54.840 0.118 0.000 0.875 366 L CB 1.037 43.135 42.059 0.064 0.000 1.171 366 L HN -0.053 nan 8.230 nan 0.000 0.463 367 P HA -0.026 nan 4.420 nan 0.000 0.219 367 P C -0.277 177.008 177.300 -0.024 0.000 1.150 367 P CA 0.650 63.738 63.100 -0.019 0.000 0.814 367 P CB 0.344 31.996 31.700 -0.079 0.000 0.787 368 S N -1.807 113.877 115.700 -0.026 0.000 2.588 368 S HA 0.695 5.165 4.470 -0.000 0.000 0.275 368 S C -1.695 172.899 174.600 -0.010 0.000 1.130 368 S CA -0.645 57.550 58.200 -0.007 0.000 0.855 368 S CB 0.380 63.593 63.200 0.022 0.000 1.116 368 S HN -0.206 nan 8.310 nan 0.000 0.472 369 L N 2.247 123.484 121.223 0.024 0.000 2.359 369 L HA 0.625 4.965 4.340 -0.000 0.000 0.256 369 L C -0.568 176.378 176.870 0.127 0.000 1.026 369 L CA -0.786 54.087 54.840 0.055 0.000 0.828 369 L CB 1.754 43.888 42.059 0.124 0.000 1.406 369 L HN 0.554 nan 8.230 nan 0.000 0.413 370 M N 1.378 121.100 119.600 0.203 0.000 2.217 370 M HA 0.064 4.544 4.480 -0.000 0.000 0.352 370 M C -0.092 176.498 176.300 0.484 0.000 1.376 370 M CA -0.002 55.525 55.300 0.379 0.000 1.107 370 M CB 0.065 32.908 32.600 0.406 0.000 1.723 370 M HN 0.412 nan 8.290 nan 0.000 0.461 371 D N 3.077 123.764 120.400 0.478 0.000 2.713 371 D HA 0.021 4.661 4.640 -0.000 0.000 0.229 371 D C 0.955 177.390 176.300 0.224 0.000 1.136 371 D CA -0.067 54.089 54.000 0.259 0.000 1.010 371 D CB -0.492 40.347 40.800 0.065 0.000 1.084 371 D HN 0.498 nan 8.370 nan 0.000 0.495 372 F N 2.025 122.107 119.950 0.220 0.000 2.126 372 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 372 F C -0.945 174.794 175.800 -0.102 0.000 1.096 372 F CA 0.900 58.892 58.000 -0.013 0.000 1.255 372 F CB -0.450 38.355 39.000 -0.326 0.000 0.997 372 F HN 0.254 nan 8.300 nan 0.000 0.479 373 P HA -0.205 nan 4.420 nan 0.000 0.215 373 P C 1.752 179.071 177.300 0.033 0.000 1.153 373 P CA 1.319 64.514 63.100 0.158 0.000 0.853 373 P CB -0.084 31.715 31.700 0.165 0.000 0.788 374 L N -0.988 120.250 121.223 0.025 0.000 2.131 374 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 374 L C 2.156 178.995 176.870 -0.052 0.000 1.087 374 L CA 1.531 56.391 54.840 0.033 0.000 0.767 374 L CB -1.035 41.083 42.059 0.098 0.000 0.917 374 L HN -0.211 nan 8.230 nan 0.000 0.441 375 V N -0.295 119.475 119.914 -0.239 0.000 2.358 375 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 375 V C 2.268 178.149 176.094 -0.355 0.000 1.047 375 V CA 1.943 64.006 62.300 -0.395 0.000 1.035 375 V CB -0.663 30.633 31.823 -0.879 0.000 0.658 375 V HN 0.516 nan 8.190 nan 0.000 0.452 376 D N 0.180 120.330 120.400 -0.417 0.000 2.117 376 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 376 D C 2.130 178.327 176.300 -0.171 0.000 0.987 376 D CA 1.521 55.331 54.000 -0.316 0.000 0.829 376 D CB -0.155 40.515 40.800 -0.216 0.000 0.961 376 D HN 0.368 nan 8.370 nan 0.000 0.460 377 A N 0.008 122.748 122.820 -0.132 0.000 1.883 377 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 377 A C 2.173 179.649 177.584 -0.179 0.000 1.186 377 A CA 2.144 54.108 52.037 -0.123 0.000 0.624 377 A CB -0.801 18.143 19.000 -0.093 0.000 0.822 377 A HN 0.391 nan 8.150 nan 0.000 0.444 378 M N -0.161 119.304 119.600 -0.225 0.000 2.175 378 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 378 M C 2.001 178.181 176.300 -0.201 0.000 1.063 378 M CA 1.512 56.624 55.300 -0.314 0.000 1.119 378 M CB -0.514 31.789 32.600 -0.495 0.000 1.377 378 M HN 0.380 nan 8.290 nan 0.000 0.415 379 R N -0.283 120.120 120.500 -0.161 0.000 2.096 379 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 379 R C 1.866 178.111 176.300 -0.091 0.000 1.127 379 R CA 1.485 57.519 56.100 -0.111 0.000 0.968 379 R CB -0.679 29.552 30.300 -0.114 0.000 0.861 379 R HN 0.464 nan 8.270 nan 0.000 0.440 380 N N 0.971 119.611 118.700 -0.101 0.000 2.084 380 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 380 N C 1.700 177.161 175.510 -0.081 0.000 1.030 380 N CA 1.578 54.581 53.050 -0.078 0.000 0.849 380 N CB -0.448 37.994 38.487 -0.074 0.000 1.012 380 N HN 0.199 nan 8.380 nan 0.000 0.423 381 A N 1.012 123.763 122.820 -0.114 0.000 1.908 381 A HA -0.076 4.243 4.320 -0.000 0.000 0.218 381 A C 2.329 179.865 177.584 -0.080 0.000 1.181 381 A CA 1.085 53.054 52.037 -0.114 0.000 0.627 381 A CB -0.684 18.212 19.000 -0.173 0.000 0.818 381 A HN 0.240 nan 8.150 nan 0.000 0.445 382 L N -1.180 119.997 121.223 -0.076 0.000 2.179 382 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 382 L C 2.682 179.536 176.870 -0.026 0.000 1.096 382 L CA 1.146 55.961 54.840 -0.041 0.000 0.779 382 L CB -0.257 41.784 42.059 -0.031 0.000 0.922 382 L HN 0.292 nan 8.230 nan 0.000 0.443 383 S N -0.552 115.128 115.700 -0.033 0.000 2.406 383 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 383 S C 1.043 175.630 174.600 -0.021 0.000 1.030 383 S CA 0.707 58.892 58.200 -0.024 0.000 0.958 383 S CB 0.007 63.194 63.200 -0.023 0.000 0.811 383 S HN 0.264 nan 8.310 nan 0.000 0.489 384 K N 2.883 123.267 120.400 -0.027 0.000 2.715 384 K HA 0.074 4.394 4.320 -0.000 0.000 0.248 384 K C 1.060 177.648 176.600 -0.019 0.000 1.276 384 K CA 0.095 56.368 56.287 -0.023 0.000 1.209 384 K CB -0.251 32.232 32.500 -0.029 0.000 1.509 384 K HN 0.409 nan 8.250 nan 0.000 0.261 385 T N -2.964 111.582 114.554 -0.013 0.000 2.929 385 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 385 T C 1.634 176.331 174.700 -0.005 0.000 1.085 385 T CA 0.999 63.095 62.100 -0.007 0.000 1.125 385 T CB 0.047 68.914 68.868 -0.002 0.000 0.874 385 T HN 0.401 nan 8.240 nan 0.000 0.494 386 G N 0.585 109.381 108.800 -0.006 0.000 3.448 386 G HA2 0.300 4.260 3.960 -0.000 0.000 0.261 386 G HA3 0.300 4.260 3.960 -0.000 0.000 0.261 386 G C -0.052 174.845 174.900 -0.006 0.000 1.173 386 G CA -0.502 44.596 45.100 -0.004 0.000 0.835 386 G HN 0.480 nan 8.290 nan 0.000 0.534 387 E N -0.096 120.098 120.200 -0.010 0.000 2.183 387 E HA 0.201 4.551 4.350 -0.000 0.000 0.271 387 E C 0.066 176.659 176.600 -0.012 0.000 0.919 387 E CA -0.448 55.945 56.400 -0.013 0.000 0.781 387 E CB 1.996 31.684 29.700 -0.020 0.000 1.140 387 E HN 0.217 nan 8.360 nan 0.000 0.402 388 E N 1.130 121.324 120.200 -0.010 0.000 2.204 388 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 388 E C 0.579 177.173 176.600 -0.011 0.000 0.989 388 E CA 0.823 57.219 56.400 -0.007 0.000 0.824 388 E CB 0.123 29.820 29.700 -0.004 0.000 0.756 388 E HN 0.194 nan 8.360 nan 0.000 0.477 389 N N -1.175 117.512 118.700 -0.022 0.000 2.604 389 N HA 0.086 4.826 4.740 -0.000 0.000 0.284 389 N C 0.474 175.949 175.510 -0.059 0.000 1.716 389 N CA 0.219 53.248 53.050 -0.035 0.000 0.859 389 N CB 0.565 39.034 38.487 -0.030 0.000 1.403 389 N HN 0.055 nan 8.380 nan 0.000 0.501 390 G N 0.089 108.853 108.800 -0.060 0.000 2.475 390 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 390 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 390 G C 1.298 176.119 174.900 -0.132 0.000 1.125 390 G CA 0.621 45.673 45.100 -0.080 0.000 0.755 390 G HN 0.425 nan 8.290 nan 0.000 0.565 391 L N 0.297 121.424 121.223 -0.161 0.000 2.353 391 L HA -0.090 4.250 4.340 -0.000 0.000 0.220 391 L C 2.588 179.234 176.870 -0.373 0.000 1.133 391 L CA 0.686 55.349 54.840 -0.295 0.000 0.798 391 L CB -0.340 41.555 42.059 -0.273 0.000 0.922 391 L HN 0.214 nan 8.230 nan 0.000 0.445 392 N N 0.449 119.017 118.700 -0.219 0.000 2.192 392 N HA -0.237 4.503 4.740 -0.000 0.000 0.188 392 N C 1.706 177.165 175.510 -0.085 0.000 1.013 392 N CA 1.340 54.319 53.050 -0.119 0.000 0.863 392 N CB 0.064 38.529 38.487 -0.037 0.000 0.990 392 N HN 0.334 nan 8.380 nan 0.000 0.430 393 E N -0.777 119.350 120.200 -0.123 0.000 2.118 393 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 393 E C 1.809 178.328 176.600 -0.135 0.000 0.992 393 E CA 1.136 57.472 56.400 -0.106 0.000 0.804 393 E CB 0.074 29.712 29.700 -0.104 0.000 0.741 393 E HN 0.217 nan 8.360 nan 0.000 0.458 394 V N 0.643 120.409 119.914 -0.246 0.000 2.323 394 V HA -0.258 3.861 4.120 -0.000 0.000 0.244 394 V C 2.071 178.060 176.094 -0.176 0.000 1.041 394 V CA 1.891 64.030 62.300 -0.268 0.000 1.025 394 V CB -0.670 30.831 31.823 -0.537 0.000 0.656 394 V HN 0.324 nan 8.190 nan 0.000 0.451 395 Y N 1.593 121.593 120.300 -0.501 0.000 2.081 395 Y HA -0.270 4.280 4.550 -0.000 0.000 0.280 395 Y C 2.520 178.396 175.900 -0.040 0.000 1.163 395 Y CA 2.242 60.162 58.100 -0.300 0.000 1.135 395 Y CB -0.343 37.813 38.460 -0.505 0.000 0.970 395 Y HN 0.344 nan 8.280 nan 0.000 0.498 396 E N -0.755 119.309 120.200 -0.227 0.000 2.106 396 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 396 E C 2.093 178.626 176.600 -0.112 0.000 0.984 396 E CA 1.637 57.885 56.400 -0.253 0.000 0.806 396 E CB -0.221 29.415 29.700 -0.106 0.000 0.750 396 E HN 0.506 nan 8.360 nan 0.000 0.458 397 T N 1.822 116.347 114.554 -0.049 0.000 2.708 397 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 397 T C 1.989 176.721 174.700 0.052 0.000 1.037 397 T CA 0.738 62.841 62.100 0.004 0.000 1.146 397 T CB -0.217 68.663 68.868 0.021 0.000 0.865 397 T HN 0.092 nan 8.240 nan 0.000 0.435 398 L N 1.529 122.817 121.223 0.108 0.000 2.079 398 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 398 L C 2.840 179.782 176.870 0.120 0.000 1.081 398 L CA 1.513 56.450 54.840 0.162 0.000 0.752 398 L CB -0.588 41.658 42.059 0.312 0.000 0.896 398 L HN 0.405 nan 8.230 nan 0.000 0.433 399 S N -0.235 115.522 115.700 0.094 0.000 2.469 399 S HA -0.141 4.329 4.470 -0.000 0.000 0.238 399 S C 1.629 176.305 174.600 0.127 0.000 0.998 399 S CA 0.789 59.039 58.200 0.083 0.000 0.957 399 S CB -0.509 62.649 63.200 -0.069 0.000 0.764 399 S HN 0.473 nan 8.310 nan 0.000 0.514 400 L N 0.960 122.187 121.223 0.006 0.000 2.612 400 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 400 L C 1.393 178.061 176.870 -0.338 0.000 1.140 400 L CA 0.093 54.790 54.840 -0.238 0.000 0.896 400 L CB -0.424 41.506 42.059 -0.215 0.000 1.065 400 L HN 0.144 nan 8.230 nan 0.000 0.447 401 D N 0.159 120.542 120.400 -0.028 0.000 2.263 401 D HA -0.200 4.440 4.640 -0.000 0.000 0.208 401 D C 1.931 178.271 176.300 0.068 0.000 0.971 401 D CA 1.009 55.082 54.000 0.122 0.000 0.867 401 D CB 0.014 40.890 40.800 0.126 0.000 0.929 401 D HN 0.557 nan 8.370 nan 0.000 0.492 402 Y N -0.538 119.801 120.300 0.064 0.000 2.483 402 Y HA -0.023 4.527 4.550 -0.000 0.000 0.291 402 Y C 1.770 177.672 175.900 0.003 0.000 1.143 402 Y CA 0.511 58.632 58.100 0.035 0.000 1.289 402 Y CB -0.834 37.632 38.460 0.010 0.000 0.983 402 Y HN -0.059 nan 8.280 nan 0.000 0.556 403 L N -0.738 120.099 121.223 -0.644 0.000 2.275 403 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 403 L C 0.004 176.679 176.870 -0.325 0.000 1.119 403 L CA 0.474 55.013 54.840 -0.500 0.000 0.790 403 L CB -0.435 41.197 42.059 -0.712 0.000 0.919 403 L HN 0.205 nan 8.230 nan 0.000 0.443 404 Y N -0.397 119.853 120.300 -0.084 0.000 2.320 404 Y HA 0.211 4.761 4.550 -0.000 0.000 0.334 404 Y C -1.305 174.595 175.900 0.000 0.000 1.055 404 Y CA -2.586 55.500 58.100 -0.025 0.000 1.143 404 Y CB 0.231 38.681 38.460 -0.017 0.000 1.193 404 Y HN -0.170 nan 8.280 nan 0.000 0.477 405 P HA -0.141 nan 4.420 nan 0.000 0.218 405 P C -0.272 177.082 177.300 0.089 0.000 1.148 405 P CA 1.597 64.758 63.100 0.103 0.000 0.822 405 P CB 0.537 32.280 31.700 0.072 0.000 0.784 406 E N -1.716 118.540 120.200 0.094 0.000 3.284 406 E HA 0.141 4.491 4.350 -0.000 0.000 0.277 406 E C -2.087 174.504 176.600 -0.015 0.000 1.218 406 E CA -1.436 54.984 56.400 0.033 0.000 0.925 406 E CB 1.077 30.782 29.700 0.009 0.000 1.409 406 E HN 0.238 nan 8.360 nan 0.000 0.388 407 P HA -0.222 nan 4.420 nan 0.000 0.218 407 P C 1.398 178.617 177.300 -0.135 0.000 1.149 407 P CA 1.191 64.200 63.100 -0.151 0.000 0.817 407 P CB 0.329 32.011 31.700 -0.030 0.000 0.785 408 Q N -0.261 119.497 119.800 -0.069 0.000 2.364 408 Q HA -0.114 4.226 4.340 -0.000 0.000 0.207 408 Q C 0.968 176.940 176.000 -0.047 0.000 0.970 408 Q CA 1.334 57.103 55.803 -0.056 0.000 0.888 408 Q CB -1.171 27.544 28.738 -0.038 0.000 0.951 408 Q HN 0.210 nan 8.270 nan 0.000 0.469 409 N N 0.380 119.047 118.700 -0.055 0.000 2.336 409 N HA 0.199 4.939 4.740 -0.000 0.000 0.189 409 N C 0.113 175.608 175.510 -0.025 0.000 1.113 409 N CA 0.055 53.081 53.050 -0.040 0.000 0.858 409 N CB 0.293 38.749 38.487 -0.052 0.000 0.970 409 N HN 0.247 nan 8.380 nan 0.000 0.471 410 L N 0.788 121.966 121.223 -0.074 0.000 2.439 410 L HA 0.169 4.509 4.340 -0.000 0.000 0.269 410 L C 0.230 177.122 176.870 0.036 0.000 1.179 410 L CA -0.422 54.379 54.840 -0.064 0.000 0.828 410 L CB 0.870 42.794 42.059 -0.225 0.000 1.106 410 L HN -0.244 nan 8.230 nan 0.000 0.467 411 V N 3.984 123.968 119.914 0.117 0.000 2.385 411 V HA 0.173 4.293 4.120 -0.000 0.000 0.269 411 V C 0.084 176.345 176.094 0.279 0.000 1.043 411 V CA -0.331 62.088 62.300 0.198 0.000 0.906 411 V CB 1.251 33.195 31.823 0.201 0.000 0.995 411 V HN 0.363 nan 8.190 nan 0.000 0.467 412 L N 7.630 128.971 121.223 0.198 0.000 2.307 412 L HA 0.755 5.095 4.340 -0.000 0.000 0.282 412 L C -0.586 176.432 176.870 0.248 0.000 1.051 412 L CA 0.060 54.967 54.840 0.112 0.000 0.804 412 L CB 1.099 43.135 42.059 -0.038 0.000 1.197 412 L HN 0.580 nan 8.230 nan 0.000 0.431 413 F N 1.216 121.253 119.950 0.146 0.000 2.588 413 F HA 0.708 5.234 4.527 -0.000 0.000 0.310 413 F C 0.850 176.737 175.800 0.145 0.000 1.082 413 F CA -0.613 57.489 58.000 0.170 0.000 0.929 413 F CB 1.226 40.340 39.000 0.189 0.000 1.254 413 F HN 0.437 nan 8.300 nan 0.000 0.455 414 G N 0.058 109.032 108.800 0.290 0.000 2.448 414 G HA2 0.425 4.385 3.960 -0.000 0.000 0.218 414 G HA3 0.425 4.385 3.960 -0.000 0.000 0.218 414 G C 0.369 175.373 174.900 0.172 0.000 1.135 414 G CA 0.422 45.614 45.100 0.154 0.000 0.784 414 G HN 1.352 nan 8.290 nan 0.000 0.543 415 G N -0.732 108.263 108.800 0.325 0.000 2.317 415 G HA2 0.474 4.434 3.960 -0.000 0.000 0.293 415 G HA3 0.474 4.434 3.960 -0.000 0.000 0.293 415 G C -1.632 173.325 174.900 0.095 0.000 1.287 415 G CA -0.043 45.224 45.100 0.277 0.000 0.850 415 G HN 0.931 nan 8.290 nan 0.000 0.515 416 N N -3.281 115.245 118.700 -0.290 0.000 3.387 416 N HA 0.250 4.990 4.740 -0.000 0.000 0.294 416 N C 0.546 175.381 175.510 -1.125 0.000 1.519 416 N CA 0.027 52.595 53.050 -0.803 0.000 0.875 416 N CB 0.089 38.336 38.487 -0.400 0.000 1.657 416 N HN 0.755 nan 8.380 nan 0.000 0.527 417 H N -1.865 116.559 119.070 -1.077 0.000 2.556 417 H HA 0.230 4.786 4.556 -0.000 0.000 0.268 417 H C -0.705 174.556 175.328 -0.112 0.000 0.996 417 H CA 0.722 56.463 56.048 -0.511 0.000 1.157 417 H CB -0.209 29.423 29.762 -0.218 0.000 1.355 417 H HN 0.537 nan 8.280 nan 0.000 0.597 418 D N 0.285 120.308 120.400 -0.629 0.000 2.433 418 D HA 0.218 4.858 4.640 -0.000 0.000 0.211 418 D C 0.329 176.453 176.300 -0.294 0.000 1.114 418 D CA 0.131 53.892 54.000 -0.399 0.000 0.837 418 D CB 0.829 41.234 40.800 -0.660 0.000 0.984 418 D HN 0.382 nan 8.370 nan 0.000 0.505 419 M N -0.271 118.948 119.600 -0.635 0.000 2.631 419 M HA 0.560 5.040 4.480 -0.000 0.000 0.288 419 M C -0.415 175.169 176.300 -1.194 0.000 1.260 419 M CA -1.088 53.790 55.300 -0.704 0.000 0.842 419 M CB 2.118 34.638 32.600 -0.134 0.000 1.743 419 M HN -0.261 nan 8.290 nan 0.000 0.461 420 A N 1.180 123.575 122.820 -0.708 0.000 2.555 420 A HA 0.230 4.550 4.320 -0.000 0.000 0.233 420 A C 0.079 177.616 177.584 -0.078 0.000 1.060 420 A CA 0.027 51.901 52.037 -0.271 0.000 0.759 420 A CB 0.134 19.134 19.000 -0.001 0.000 0.995 420 A HN 0.718 nan 8.150 nan 0.000 0.506 421 R N 2.053 122.628 120.500 0.124 0.000 2.585 421 R HA -0.035 4.305 4.340 -0.000 0.000 0.275 421 R C 1.475 177.894 176.300 0.200 0.000 1.018 421 R CA 0.252 56.474 56.100 0.204 0.000 1.072 421 R CB 0.011 30.465 30.300 0.256 0.000 0.953 421 R HN 1.002 nan 8.270 nan 0.000 0.419 422 M N 2.814 122.557 119.600 0.239 0.000 2.103 422 M HA -0.291 4.189 4.480 -0.000 0.000 0.255 422 M C 1.516 178.082 176.300 0.444 0.000 1.074 422 M CA 2.091 57.572 55.300 0.300 0.000 1.090 422 M CB -0.193 32.603 32.600 0.327 0.000 1.325 422 M HN 0.574 nan 8.290 nan 0.000 0.403 423 F N 0.465 120.582 119.950 0.278 0.000 2.134 423 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 423 F C 2.387 178.273 175.800 0.144 0.000 1.097 423 F CA 1.862 59.978 58.000 0.194 0.000 1.264 423 F CB -0.675 38.312 39.000 -0.021 0.000 1.001 423 F HN 0.154 nan 8.300 nan 0.000 0.479 424 S N 0.165 115.913 115.700 0.080 0.000 2.382 424 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 424 S C 2.297 176.887 174.600 -0.017 0.000 1.027 424 S CA 0.962 59.143 58.200 -0.031 0.000 0.991 424 S CB -0.761 62.479 63.200 0.067 0.000 0.823 424 S HN 0.478 nan 8.310 nan 0.000 0.469 425 A N 1.020 123.871 122.820 0.052 0.000 2.070 425 A HA 0.216 4.536 4.320 -0.000 0.000 0.220 425 A C 1.989 179.586 177.584 0.023 0.000 1.159 425 A CA 1.381 53.439 52.037 0.035 0.000 0.656 425 A CB -0.564 18.463 19.000 0.045 0.000 0.800 425 A HN 0.489 nan 8.150 nan 0.000 0.453 426 A N -1.444 121.402 122.820 0.043 0.000 2.302 426 A HA 0.434 4.754 4.320 -0.000 0.000 0.219 426 A C 1.640 179.188 177.584 -0.061 0.000 1.243 426 A CA 0.955 53.016 52.037 0.041 0.000 0.856 426 A CB -1.102 18.016 19.000 0.197 0.000 0.893 426 A HN 1.797 nan 8.150 nan 0.000 0.491 427 G N -0.281 108.449 108.800 -0.117 0.000 2.179 427 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 427 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 427 G C 0.107 174.840 174.900 -0.279 0.000 1.010 427 G CA 0.529 45.543 45.100 -0.144 0.000 0.736 427 G HN 0.877 nan 8.290 nan 0.000 0.513 428 E N -1.063 118.760 120.200 -0.629 0.000 2.722 428 E HA -0.212 4.138 4.350 -0.000 0.000 0.265 428 E C 0.026 176.288 176.600 -0.563 0.000 1.081 428 E CA 1.022 56.633 56.400 -1.316 0.000 0.781 428 E CB -0.736 28.553 29.700 -0.684 0.000 1.372 428 E HN 0.646 nan 8.360 nan 0.000 0.423 429 D N -0.379 119.904 120.400 -0.195 0.000 2.396 429 D HA 0.090 4.730 4.640 -0.000 0.000 0.225 429 D C 0.401 176.955 176.300 0.424 0.000 1.121 429 D CA -0.349 53.735 54.000 0.140 0.000 0.853 429 D CB 0.446 41.298 40.800 0.087 0.000 1.043 429 D HN -0.008 nan 8.370 nan 0.000 0.500 430 F N 3.985 124.181 119.950 0.410 0.000 2.161 430 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 430 F C 1.597 177.644 175.800 0.410 0.000 1.089 430 F CA 1.438 59.711 58.000 0.456 0.000 1.282 430 F CB 0.319 39.465 39.000 0.243 0.000 1.010 430 F HN 0.376 nan 8.300 nan 0.000 0.485 431 D N -0.112 120.453 120.400 0.275 0.000 2.117 431 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 431 D C 2.400 178.753 176.300 0.089 0.000 0.982 431 D CA 1.108 55.183 54.000 0.126 0.000 0.828 431 D CB -0.319 40.569 40.800 0.146 0.000 0.967 431 D HN 0.354 nan 8.370 nan 0.000 0.464 432 R N -0.300 120.283 120.500 0.137 0.000 2.092 432 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 432 R C 2.186 178.571 176.300 0.142 0.000 1.119 432 R CA 0.864 57.029 56.100 0.110 0.000 0.970 432 R CB -0.347 30.009 30.300 0.093 0.000 0.864 432 R HN 0.263 nan 8.270 nan 0.000 0.440 433 W N 2.054 123.382 121.300 0.046 0.000 2.335 433 W HA -0.204 4.456 4.660 -0.000 0.000 0.311 433 W C 2.320 178.824 176.519 -0.024 0.000 1.213 433 W CA 1.483 58.875 57.345 0.079 0.000 1.274 433 W CB -0.160 29.441 29.460 0.235 0.000 1.148 433 W HN -0.083 nan 8.180 nan 0.000 0.498 434 R N -0.171 120.271 120.500 -0.097 0.000 2.103 434 R HA -0.241 4.099 4.340 -0.000 0.000 0.242 434 R C 2.282 178.466 176.300 -0.194 0.000 1.142 434 R CA 2.505 58.438 56.100 -0.278 0.000 0.960 434 R CB -0.582 29.590 30.300 -0.214 0.000 0.858 434 R HN 0.264 nan 8.270 nan 0.000 0.439 435 M N -0.244 119.307 119.600 -0.081 0.000 2.080 435 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 435 M C 2.151 178.461 176.300 0.017 0.000 1.068 435 M CA 2.046 57.342 55.300 -0.006 0.000 1.109 435 M CB -0.576 32.040 32.600 0.027 0.000 1.342 435 M HN 0.336 nan 8.290 nan 0.000 0.405 436 N N 0.451 119.117 118.700 -0.057 0.000 2.120 436 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 436 N C 1.705 177.216 175.510 0.001 0.000 1.024 436 N CA 0.812 53.853 53.050 -0.015 0.000 0.852 436 N CB 0.098 38.541 38.487 -0.074 0.000 1.003 436 N HN 0.121 nan 8.380 nan 0.000 0.424 437 L N 0.696 121.761 121.223 -0.264 0.000 2.027 437 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 437 L C 2.075 178.932 176.870 -0.022 0.000 1.074 437 L CA 1.267 55.963 54.840 -0.239 0.000 0.745 437 L CB -0.604 41.075 42.059 -0.634 0.000 0.898 437 L HN 0.010 nan 8.230 nan 0.000 0.433 438 V N -0.424 119.483 119.914 -0.013 0.000 2.287 438 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 438 V C 2.344 178.569 176.094 0.219 0.000 1.053 438 V CA 2.159 64.507 62.300 0.079 0.000 1.027 438 V CB -0.923 30.920 31.823 0.033 0.000 0.646 438 V HN 0.546 nan 8.190 nan 0.000 0.447 439 F N 0.569 120.590 119.950 0.119 0.000 2.069 439 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 439 F C 2.110 177.996 175.800 0.144 0.000 1.113 439 F CA 2.105 60.222 58.000 0.196 0.000 1.214 439 F CB -0.501 38.609 39.000 0.183 0.000 0.978 439 F HN 0.135 nan 8.300 nan 0.000 0.474 440 L N 0.238 121.535 121.223 0.122 0.000 2.042 440 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 440 L C 2.001 178.895 176.870 0.039 0.000 1.076 440 L CA 1.901 56.760 54.840 0.032 0.000 0.749 440 L CB -0.695 41.472 42.059 0.180 0.000 0.893 440 L HN 0.198 nan 8.230 nan 0.000 0.432 441 M N -1.285 118.381 119.600 0.109 0.000 2.595 441 M HA 0.075 4.555 4.480 -0.000 0.000 0.248 441 M C 1.541 177.942 176.300 0.168 0.000 1.119 441 M CA 1.198 56.588 55.300 0.151 0.000 1.079 441 M CB -1.118 31.603 32.600 0.203 0.000 1.472 441 M HN 0.577 nan 8.290 nan 0.000 0.501 442 T N -4.268 110.366 114.554 0.132 0.000 2.975 442 T HA 0.271 4.621 4.350 -0.000 0.000 0.261 442 T C 0.880 175.613 174.700 0.055 0.000 0.984 442 T CA -0.266 61.933 62.100 0.165 0.000 0.911 442 T CB 0.600 69.646 68.868 0.297 0.000 1.127 442 T HN -0.048 nan 8.240 nan 0.000 0.514 443 M N 3.245 122.773 119.600 -0.120 0.000 2.232 443 M HA 0.264 4.744 4.480 -0.000 0.000 0.321 443 M C -2.276 173.949 176.300 -0.125 0.000 1.101 443 M CA -2.303 52.853 55.300 -0.240 0.000 1.181 443 M CB 0.033 32.332 32.600 -0.501 0.000 1.432 443 M HN -0.034 nan 8.290 nan 0.000 0.457 444 P HA 0.204 nan 4.420 nan 0.000 0.244 444 P C -0.614 176.641 177.300 -0.075 0.000 1.769 444 P CA 0.214 63.270 63.100 -0.073 0.000 1.102 444 P CB 0.153 31.809 31.700 -0.074 0.000 1.937 445 R N 1.372 121.838 120.500 -0.057 0.000 2.766 445 R HA 0.523 4.862 4.340 -0.000 0.000 0.270 445 R C -0.180 176.126 176.300 0.010 0.000 1.035 445 R CA -1.139 54.936 56.100 -0.041 0.000 0.911 445 R CB 1.145 31.404 30.300 -0.070 0.000 1.243 445 R HN 0.206 nan 8.270 nan 0.000 0.460 446 I N 4.022 124.622 120.570 0.051 0.000 2.301 446 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 446 I C -1.928 174.270 176.117 0.136 0.000 1.046 446 I CA -1.801 59.561 61.300 0.103 0.000 1.282 446 I CB 1.401 39.507 38.000 0.177 0.000 1.409 446 I HN 0.052 nan 8.210 nan 0.000 0.484 447 P HA 0.131 nan 4.420 nan 0.000 0.284 447 P C -1.244 176.239 177.300 0.306 0.000 1.253 447 P CA -0.415 62.811 63.100 0.211 0.000 0.800 447 P CB 1.493 33.313 31.700 0.200 0.000 0.961 448 Q N 3.014 123.040 119.800 0.377 0.000 2.372 448 Q HA 0.489 4.829 4.340 -0.000 0.000 0.273 448 Q C -2.230 174.068 176.000 0.497 0.000 1.078 448 Q CA -0.732 55.321 55.803 0.417 0.000 0.806 448 Q CB 2.020 30.983 28.738 0.375 0.000 1.332 448 Q HN 0.419 nan 8.270 nan 0.000 0.435 449 F N 2.972 123.061 119.950 0.233 0.000 2.565 449 F HA 0.452 4.979 4.527 -0.000 0.000 0.313 449 F C -1.760 174.022 175.800 -0.030 0.000 1.091 449 F CA -0.770 57.337 58.000 0.177 0.000 0.915 449 F CB 1.512 40.664 39.000 0.252 0.000 1.208 449 F HN 0.573 nan 8.300 nan 0.000 0.453 450 Y N 4.443 124.432 120.300 -0.518 0.000 2.335 450 Y HA 0.390 4.940 4.550 -0.000 0.000 0.339 450 Y C 0.085 175.726 175.900 -0.432 0.000 0.987 450 Y CA -1.046 56.788 58.100 -0.442 0.000 1.140 450 Y CB 1.134 39.434 38.460 -0.266 0.000 1.173 450 Y HN 0.572 nan 8.280 nan 0.000 0.486 451 S N 4.243 119.421 115.700 -0.869 0.000 2.593 451 S HA 0.338 4.808 4.470 -0.000 0.000 0.300 451 S C 1.176 175.622 174.600 -0.257 0.000 1.267 451 S CA 1.477 59.287 58.200 -0.650 0.000 1.065 451 S CB -0.527 62.258 63.200 -0.693 0.000 0.807 451 S HN 1.604 nan 8.310 nan 0.000 0.499 452 G N 4.696 113.685 108.800 0.315 0.000 2.279 452 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.223 452 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.223 452 G C 0.547 175.543 174.900 0.159 0.000 1.015 452 G CA 0.429 45.657 45.100 0.214 0.000 0.621 452 G HN 0.664 nan 8.290 nan 0.000 0.506 453 D N 1.453 121.929 120.400 0.128 0.000 2.264 453 D HA 0.003 4.643 4.640 -0.000 0.000 0.208 453 D C 2.425 179.061 176.300 0.559 0.000 0.966 453 D CA 1.254 55.367 54.000 0.189 0.000 0.864 453 D CB -0.097 40.572 40.800 -0.217 0.000 0.933 453 D HN 0.748 nan 8.370 nan 0.000 0.499 454 E N 1.163 121.850 120.200 0.811 0.000 2.418 454 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 454 E C 1.484 178.283 176.600 0.333 0.000 1.026 454 E CA 0.552 57.391 56.400 0.733 0.000 0.862 454 E CB -0.178 29.917 29.700 0.658 0.000 0.799 454 E HN 0.367 nan 8.360 nan 0.000 0.518 455 I N -1.411 119.262 120.570 0.171 0.000 3.833 455 I HA 0.268 4.438 4.170 -0.000 0.000 0.328 455 I C 0.330 176.329 176.117 -0.195 0.000 1.554 455 I CA -0.753 60.518 61.300 -0.049 0.000 1.116 455 I CB -0.525 37.420 38.000 -0.093 0.000 1.182 455 I HN -0.077 nan 8.210 nan 0.000 0.459 456 L N 0.023 121.095 121.223 -0.251 0.000 3.717 456 L HA -0.213 4.127 4.340 -0.000 0.000 0.411 456 L C 0.449 177.248 176.870 -0.119 0.000 1.233 456 L CA 0.489 55.051 54.840 -0.463 0.000 0.917 456 L CB -1.785 39.592 42.059 -1.137 0.000 1.902 456 L HN 0.459 nan 8.230 nan 0.000 0.894 457 M N 0.263 119.856 119.600 -0.011 0.000 2.252 457 M HA 0.154 4.634 4.480 -0.000 0.000 0.329 457 M C 1.080 177.480 176.300 0.167 0.000 1.101 457 M CA 1.394 56.725 55.300 0.052 0.000 1.117 457 M CB 0.498 33.115 32.600 0.030 0.000 1.563 457 M HN 0.383 nan 8.290 nan 0.000 0.445 458 T N -0.713 113.937 114.554 0.160 0.000 2.926 458 T HA 0.861 5.211 4.350 -0.000 0.000 0.289 458 T C -0.351 174.449 174.700 0.166 0.000 1.054 458 T CA -0.754 61.459 62.100 0.189 0.000 1.015 458 T CB 1.869 70.839 68.868 0.170 0.000 1.167 458 T HN 0.810 nan 8.240 nan 0.000 0.526 459 S N -0.453 115.351 115.700 0.175 0.000 2.752 459 S HA 0.704 5.174 4.470 -0.000 0.000 0.284 459 S C -0.019 174.677 174.600 0.161 0.000 1.189 459 S CA -0.517 57.801 58.200 0.198 0.000 0.835 459 S CB 0.636 64.059 63.200 0.371 0.000 1.192 459 S HN 1.320 nan 8.310 nan 0.000 0.506 460 T N -0.875 113.774 114.554 0.160 0.000 2.802 460 T HA 0.410 4.760 4.350 -0.000 0.000 0.305 460 T C 1.404 176.223 174.700 0.199 0.000 1.053 460 T CA 0.115 62.300 62.100 0.141 0.000 1.058 460 T CB 0.418 69.346 68.868 0.101 0.000 0.988 460 T HN 1.655 nan 8.240 nan 0.000 0.539 461 V N -2.943 117.054 119.914 0.138 0.000 3.455 461 V HA 0.423 4.543 4.120 -0.000 0.000 0.250 461 V C 0.383 176.550 176.094 0.122 0.000 1.230 461 V CA -0.022 62.349 62.300 0.118 0.000 1.105 461 V CB -0.352 31.509 31.823 0.064 0.000 0.850 461 V HN 0.592 nan 8.190 nan 0.000 0.461 462 K N 1.692 122.162 120.400 0.118 0.000 2.156 462 K HA 0.692 5.012 4.320 -0.000 0.000 0.254 462 K C 0.681 177.359 176.600 0.130 0.000 0.950 462 K CA 0.466 56.814 56.287 0.103 0.000 0.849 462 K CB 1.111 33.653 32.500 0.070 0.000 1.100 462 K HN 0.616 nan 8.250 nan 0.000 0.434 463 G N 2.053 110.928 108.800 0.124 0.000 2.575 463 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.267 463 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.267 463 G C -0.633 174.384 174.900 0.195 0.000 1.264 463 G CA -0.106 45.072 45.100 0.130 0.000 0.935 463 G HN 0.629 nan 8.290 nan 0.000 0.568 464 R N 0.640 121.240 120.500 0.167 0.000 2.310 464 R HA 0.534 4.874 4.340 -0.000 0.000 0.324 464 R C -1.447 174.920 176.300 0.111 0.000 0.955 464 R CA -0.233 55.992 56.100 0.208 0.000 0.830 464 R CB 0.984 31.371 30.300 0.146 0.000 1.154 464 R HN 0.498 nan 8.270 nan 0.000 0.458 465 D N 3.334 123.744 120.400 0.017 0.000 2.846 465 D HA 0.113 4.753 4.640 -0.000 0.000 0.279 465 D C -0.131 175.729 176.300 -0.733 0.000 1.222 465 D CA -0.321 53.520 54.000 -0.265 0.000 0.769 465 D CB 0.737 41.416 40.800 -0.201 0.000 1.299 465 D HN 0.492 nan 8.370 nan 0.000 0.537 466 D N 0.835 121.035 120.400 -0.334 0.000 2.133 466 D HA -0.222 4.418 4.640 -0.000 0.000 0.192 466 D C 1.970 178.163 176.300 -0.179 0.000 1.001 466 D CA 1.647 55.530 54.000 -0.194 0.000 0.844 466 D CB -0.074 40.773 40.800 0.079 0.000 0.944 466 D HN 0.496 nan 8.370 nan 0.000 0.447 467 A N 0.301 123.076 122.820 -0.075 0.000 1.978 467 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 467 A C 2.324 179.865 177.584 -0.070 0.000 1.170 467 A CA 2.099 54.134 52.037 -0.003 0.000 0.636 467 A CB -0.726 18.285 19.000 0.018 0.000 0.810 467 A HN 0.229 nan 8.150 nan 0.000 0.448 468 S N -1.575 113.981 115.700 -0.240 0.000 2.419 468 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 468 S C 1.437 176.065 174.600 0.047 0.000 1.016 468 S CA 1.274 59.385 58.200 -0.147 0.000 0.974 468 S CB -0.443 62.640 63.200 -0.194 0.000 0.786 468 S HN 0.663 nan 8.310 nan 0.000 0.492 469 Y N 0.719 121.119 120.300 0.166 0.000 2.466 469 Y HA 0.393 4.943 4.550 -0.000 0.000 0.272 469 Y C 1.505 177.598 175.900 0.322 0.000 1.169 469 Y CA -0.241 57.997 58.100 0.230 0.000 1.285 469 Y CB -0.160 38.411 38.460 0.185 0.000 1.078 469 Y HN 0.167 nan 8.280 nan 0.000 0.523 470 R N -0.010 120.693 120.500 0.338 0.000 2.642 470 R HA 0.211 4.551 4.340 -0.000 0.000 0.435 470 R C -0.155 176.259 176.300 0.190 0.000 1.046 470 R CA -0.489 55.805 56.100 0.324 0.000 1.103 470 R CB 0.678 31.196 30.300 0.364 0.000 1.425 470 R HN -0.109 nan 8.270 nan 0.000 0.586 471 R N 1.548 122.138 120.500 0.150 0.000 2.679 471 R HA 0.023 4.362 4.340 -0.000 0.000 0.268 471 R C -0.155 176.202 176.300 0.096 0.000 1.044 471 R CA 0.063 56.216 56.100 0.087 0.000 1.105 471 R CB 0.182 30.508 30.300 0.044 0.000 0.989 471 R HN 0.058 nan 8.270 nan 0.000 0.447 472 D N 1.632 122.050 120.400 0.030 0.000 2.525 472 D HA -0.105 4.535 4.640 -0.000 0.000 0.235 472 D C 0.068 176.447 176.300 0.132 0.000 1.137 472 D CA 0.284 54.297 54.000 0.023 0.000 0.868 472 D CB 0.122 40.644 40.800 -0.463 0.000 1.180 472 D HN 0.250 nan 8.370 nan 0.000 0.465 473 F N 4.266 124.339 119.950 0.204 0.000 2.578 473 F HA 0.117 4.644 4.527 -0.000 0.000 0.381 473 F C -1.673 174.125 175.800 -0.004 0.000 1.069 473 F CA -1.754 56.307 58.000 0.101 0.000 1.231 473 F CB 0.442 39.541 39.000 0.164 0.000 1.086 473 F HN 0.144 nan 8.300 nan 0.000 0.564 474 P HA 0.176 nan 4.420 nan 0.000 0.265 474 P C 0.429 177.470 177.300 -0.431 0.000 1.222 474 P CA 0.915 63.753 63.100 -0.437 0.000 0.767 474 P CB 0.733 32.138 31.700 -0.491 0.000 0.801 475 G N 3.198 111.947 108.800 -0.084 0.000 2.218 475 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 475 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 475 G C 1.106 176.182 174.900 0.293 0.000 0.994 475 G CA 0.031 45.162 45.100 0.052 0.000 0.637 475 G HN 0.667 nan 8.290 nan 0.000 0.505 476 G N -1.005 108.022 108.800 0.378 0.000 2.598 476 G HA2 0.190 4.149 3.960 -0.000 0.000 0.215 476 G HA3 0.190 4.149 3.960 -0.000 0.000 0.215 476 G C 0.565 175.486 174.900 0.034 0.000 1.131 476 G CA 0.694 45.953 45.100 0.266 0.000 0.785 476 G HN 0.427 nan 8.290 nan 0.000 0.539 477 W N -0.352 120.987 121.300 0.065 0.000 2.785 477 W HA 0.627 5.287 4.660 -0.000 0.000 0.333 477 W C -0.120 176.420 176.519 0.035 0.000 1.062 477 W CA -1.831 55.542 57.345 0.046 0.000 1.233 477 W CB 1.707 31.183 29.460 0.027 0.000 1.413 477 W HN 0.079 nan 8.180 nan 0.000 0.489 478 A N 1.355 124.280 122.820 0.176 0.000 2.567 478 A HA 0.402 4.722 4.320 -0.000 0.000 0.240 478 A C 1.137 178.801 177.584 0.133 0.000 1.053 478 A CA 1.746 53.854 52.037 0.118 0.000 0.755 478 A CB -0.330 18.715 19.000 0.073 0.000 0.978 478 A HN 1.536 nan 8.150 nan 0.000 0.507 479 G N 2.000 110.854 108.800 0.091 0.000 2.195 479 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 479 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 479 G C -0.065 174.867 174.900 0.053 0.000 0.984 479 G CA 0.217 45.355 45.100 0.064 0.000 0.633 479 G HN 0.855 nan 8.290 nan 0.000 0.525 480 D N 0.772 121.219 120.400 0.078 0.000 2.493 480 D HA 0.320 4.960 4.640 -0.000 0.000 0.240 480 D C 1.439 177.745 176.300 0.009 0.000 1.142 480 D CA 0.062 54.088 54.000 0.043 0.000 0.872 480 D CB 0.900 41.741 40.800 0.068 0.000 1.173 480 D HN 0.102 nan 8.370 nan 0.000 0.467 481 K N 0.765 121.154 120.400 -0.018 0.000 2.379 481 K HA 0.177 4.497 4.320 -0.000 0.000 0.194 481 K C 0.295 176.869 176.600 -0.043 0.000 1.031 481 K CA 0.072 56.344 56.287 -0.025 0.000 1.037 481 K CB 0.441 32.924 32.500 -0.028 0.000 0.824 481 K HN 0.351 nan 8.250 nan 0.000 0.516 482 A N 1.936 124.716 122.820 -0.066 0.000 2.318 482 A HA 0.507 4.827 4.320 -0.000 0.000 0.317 482 A C -0.778 176.730 177.584 -0.127 0.000 1.159 482 A CA -0.616 51.361 52.037 -0.099 0.000 0.799 482 A CB 0.640 19.563 19.000 -0.128 0.000 1.194 482 A HN 0.084 nan 8.150 nan 0.000 0.479 483 N N 2.009 120.632 118.700 -0.127 0.000 2.549 483 N HA 0.407 5.147 4.740 -0.000 0.000 0.281 483 N C 0.434 175.824 175.510 -0.202 0.000 1.084 483 N CA 0.212 53.176 53.050 -0.144 0.000 0.862 483 N CB 1.881 40.357 38.487 -0.019 0.000 1.333 483 N HN 0.559 nan 8.380 nan 0.000 0.523 484 A N 3.284 125.848 122.820 -0.427 0.000 2.066 484 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 484 A C 1.328 178.764 177.584 -0.246 0.000 1.157 484 A CA 0.778 52.596 52.037 -0.365 0.000 0.670 484 A CB -0.547 18.124 19.000 -0.548 0.000 0.804 484 A HN 0.660 nan 8.150 nan 0.000 0.453 485 F N 0.719 120.578 119.950 -0.152 0.000 2.186 485 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 485 F C 2.832 178.644 175.800 0.020 0.000 1.090 485 F CA 1.338 59.216 58.000 -0.202 0.000 1.307 485 F CB -0.001 38.863 39.000 -0.226 0.000 1.019 485 F HN 0.365 nan 8.300 nan 0.000 0.489 486 S N -1.242 114.568 115.700 0.184 0.000 2.497 486 S HA 0.410 4.880 4.470 -0.000 0.000 0.218 486 S C 1.726 176.380 174.600 0.090 0.000 1.023 486 S CA 0.483 58.765 58.200 0.137 0.000 0.913 486 S CB 0.657 63.922 63.200 0.108 0.000 0.800 486 S HN 0.521 nan 8.310 nan 0.000 0.505 487 G N 1.134 109.965 108.800 0.051 0.000 2.213 487 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.226 487 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.226 487 G C 0.305 175.202 174.900 -0.004 0.000 0.992 487 G CA -0.142 44.974 45.100 0.027 0.000 0.632 487 G HN 1.343 nan 8.290 nan 0.000 0.511 488 A N 0.367 123.186 122.820 -0.002 0.000 2.548 488 A HA 0.597 4.917 4.320 -0.000 0.000 0.247 488 A C 2.096 179.657 177.584 -0.038 0.000 1.067 488 A CA 2.068 54.098 52.037 -0.013 0.000 0.757 488 A CB -0.280 18.719 19.000 -0.000 0.000 0.996 488 A HN 2.417 nan 8.150 nan 0.000 0.504 489 G N 1.433 110.209 108.800 -0.039 0.000 2.179 489 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 489 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 489 G C 0.171 175.028 174.900 -0.071 0.000 0.977 489 G CA 0.372 45.440 45.100 -0.053 0.000 0.641 489 G HN 0.823 nan 8.290 nan 0.000 0.533 490 L N 2.124 123.303 121.223 -0.074 0.000 2.416 490 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 490 L C 1.706 178.526 176.870 -0.083 0.000 1.161 490 L CA 0.068 54.855 54.840 -0.089 0.000 0.845 490 L CB 0.638 42.648 42.059 -0.081 0.000 1.119 490 L HN 0.420 nan 8.230 nan 0.000 0.464 491 T N -0.877 113.617 114.554 -0.100 0.000 2.802 491 T HA 0.037 4.387 4.350 -0.000 0.000 0.305 491 T C 1.286 175.916 174.700 -0.116 0.000 1.053 491 T CA -0.409 61.630 62.100 -0.102 0.000 1.058 491 T CB 1.011 69.811 68.868 -0.113 0.000 0.988 491 T HN 0.616 nan 8.240 nan 0.000 0.539 492 S N 0.464 116.097 115.700 -0.112 0.000 2.374 492 S HA -0.221 4.249 4.470 -0.000 0.000 0.227 492 S C 2.038 176.521 174.600 -0.194 0.000 1.037 492 S CA 1.697 59.822 58.200 -0.125 0.000 1.024 492 S CB -0.565 62.568 63.200 -0.111 0.000 0.861 492 S HN 0.863 nan 8.310 nan 0.000 0.456 493 Q N 0.650 120.295 119.800 -0.259 0.000 2.079 493 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 493 Q C 2.236 177.996 176.000 -0.401 0.000 0.974 493 Q CA 1.214 56.754 55.803 -0.440 0.000 0.840 493 Q CB -0.093 28.368 28.738 -0.462 0.000 0.898 493 Q HN 0.601 nan 8.270 nan 0.000 0.430 494 Q N -0.253 119.372 119.800 -0.290 0.000 2.084 494 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 494 Q C 2.117 178.033 176.000 -0.139 0.000 0.978 494 Q CA 1.548 57.204 55.803 -0.244 0.000 0.844 494 Q CB -0.133 28.485 28.738 -0.199 0.000 0.898 494 Q HN 0.108 nan 8.270 nan 0.000 0.426 495 R N 0.934 121.370 120.500 -0.106 0.000 2.096 495 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 495 R C 1.919 178.216 176.300 -0.006 0.000 1.127 495 R CA 1.641 57.719 56.100 -0.036 0.000 0.968 495 R CB -0.730 29.550 30.300 -0.033 0.000 0.861 495 R HN 0.253 nan 8.270 nan 0.000 0.440 496 A N 0.295 123.081 122.820 -0.057 0.000 1.902 496 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 496 A C 2.393 180.085 177.584 0.181 0.000 1.181 496 A CA 1.764 53.808 52.037 0.013 0.000 0.623 496 A CB -1.082 17.849 19.000 -0.116 0.000 0.818 496 A HN 0.490 nan 8.150 nan 0.000 0.443 497 A N -0.844 122.062 122.820 0.142 0.000 1.883 497 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 497 A C 2.218 179.995 177.584 0.322 0.000 1.186 497 A CA 1.895 54.087 52.037 0.258 0.000 0.624 497 A CB -0.644 18.206 19.000 -0.249 0.000 0.822 497 A HN 0.655 nan 8.150 nan 0.000 0.444 498 Q N -0.689 119.226 119.800 0.193 0.000 2.084 498 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 498 Q C 1.369 177.479 176.000 0.184 0.000 0.978 498 Q CA 1.797 57.732 55.803 0.220 0.000 0.844 498 Q CB -0.168 28.683 28.738 0.189 0.000 0.898 498 Q HN 0.605 nan 8.270 nan 0.000 0.426 499 D N 0.355 120.843 120.400 0.146 0.000 2.123 499 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 499 D C 1.807 178.173 176.300 0.109 0.000 0.992 499 D CA 0.724 54.788 54.000 0.107 0.000 0.833 499 D CB -0.172 40.673 40.800 0.076 0.000 0.954 499 D HN 0.210 nan 8.370 nan 0.000 0.455 500 L N 0.419 121.746 121.223 0.175 0.000 2.056 500 L HA -0.111 4.228 4.340 -0.000 0.000 0.207 500 L C 2.209 179.158 176.870 0.130 0.000 1.078 500 L CA 1.174 56.109 54.840 0.158 0.000 0.749 500 L CB -0.427 41.795 42.059 0.271 0.000 0.901 500 L HN -0.124 nan 8.230 nan 0.000 0.433 501 V N 0.064 120.093 119.914 0.192 0.000 2.287 501 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 501 V C 2.779 178.862 176.094 -0.019 0.000 1.053 501 V CA 2.242 64.584 62.300 0.070 0.000 1.027 501 V CB -0.761 31.103 31.823 0.069 0.000 0.646 501 V HN 0.534 nan 8.190 nan 0.000 0.447 502 R N 0.266 120.777 120.500 0.018 0.000 2.083 502 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 502 R C 2.430 178.741 176.300 0.017 0.000 1.137 502 R CA 2.317 58.408 56.100 -0.015 0.000 0.951 502 R CB -0.292 30.018 30.300 0.017 0.000 0.851 502 R HN 0.536 nan 8.270 nan 0.000 0.434 503 K N 0.277 120.707 120.400 0.049 0.000 2.002 503 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 503 K C 2.125 178.851 176.600 0.209 0.000 1.048 503 K CA 1.513 57.854 56.287 0.090 0.000 0.930 503 K CB -0.104 32.381 32.500 -0.025 0.000 0.714 503 K HN 0.209 nan 8.250 nan 0.000 0.438 504 L N 0.336 121.650 121.223 0.151 0.000 2.072 504 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 504 L C 2.622 179.638 176.870 0.243 0.000 1.079 504 L CA 1.084 56.075 54.840 0.251 0.000 0.752 504 L CB -0.418 41.721 42.059 0.133 0.000 0.906 504 L HN 0.314 nan 8.230 nan 0.000 0.436 505 A N 0.027 122.852 122.820 0.009 0.000 1.898 505 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 505 A C 2.066 179.605 177.584 -0.075 0.000 1.181 505 A CA 1.684 53.623 52.037 -0.164 0.000 0.620 505 A CB -0.563 18.078 19.000 -0.598 0.000 0.819 505 A HN 0.432 nan 8.150 nan 0.000 0.442 506 N N -1.433 117.260 118.700 -0.013 0.000 2.188 506 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 506 N C 1.574 177.153 175.510 0.115 0.000 1.018 506 N CA 1.604 54.672 53.050 0.030 0.000 0.858 506 N CB -0.410 38.104 38.487 0.045 0.000 0.989 506 N HN 0.806 nan 8.380 nan 0.000 0.426 507 W N 2.810 124.105 121.300 -0.008 0.000 2.335 507 W HA -0.098 4.562 4.660 -0.000 0.000 0.311 507 W C 2.530 178.990 176.519 -0.099 0.000 1.213 507 W CA 1.353 58.654 57.345 -0.073 0.000 1.274 507 W CB -0.332 29.061 29.460 -0.112 0.000 1.148 507 W HN -0.077 nan 8.180 nan 0.000 0.498 508 R N 0.850 121.352 120.500 0.004 0.000 2.105 508 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 508 R C 2.217 178.463 176.300 -0.091 0.000 1.135 508 R CA 1.919 57.893 56.100 -0.210 0.000 0.967 508 R CB -0.393 29.924 30.300 0.029 0.000 0.861 508 R HN 0.181 nan 8.270 nan 0.000 0.442 509 K N -0.130 120.247 120.400 -0.038 0.000 2.113 509 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 509 K C 0.918 177.532 176.600 0.023 0.000 1.047 509 K CA 1.817 58.108 56.287 0.007 0.000 0.928 509 K CB -0.130 32.349 32.500 -0.034 0.000 0.716 509 K HN 0.211 nan 8.250 nan 0.000 0.446 510 N N 0.366 118.988 118.700 -0.130 0.000 2.279 510 N HA 0.016 4.756 4.740 -0.000 0.000 0.226 510 N C -0.944 174.339 175.510 -0.377 0.000 1.126 510 N CA 0.052 52.990 53.050 -0.187 0.000 0.846 510 N CB 0.762 39.163 38.487 -0.143 0.000 1.050 510 N HN 0.000 nan 8.380 nan 0.000 0.502 511 Q N -0.157 119.307 119.800 -0.560 0.000 2.700 511 Q HA 0.262 4.602 4.340 -0.000 0.000 0.249 511 Q C -2.012 173.414 176.000 -0.957 0.000 1.033 511 Q CA -1.742 53.620 55.803 -0.736 0.000 0.804 511 Q CB 1.427 29.558 28.738 -1.013 0.000 1.164 511 Q HN 0.140 nan 8.270 nan 0.000 0.500 512 P HA -0.187 nan 4.420 nan 0.000 0.217 512 P C 1.514 178.546 177.300 -0.447 0.000 1.148 512 P CA 0.766 63.489 63.100 -0.630 0.000 0.828 512 P CB 0.425 31.965 31.700 -0.268 0.000 0.783 513 V N -0.685 119.016 119.914 -0.356 0.000 2.490 513 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 513 V C 1.967 177.937 176.094 -0.206 0.000 1.061 513 V CA 1.614 63.782 62.300 -0.221 0.000 1.064 513 V CB -0.823 30.915 31.823 -0.142 0.000 0.670 513 V HN 0.015 nan 8.190 nan 0.000 0.461 514 I N -0.580 119.809 120.570 -0.303 0.000 2.500 514 I HA -0.175 3.995 4.170 -0.000 0.000 0.252 514 I C 2.230 178.325 176.117 -0.036 0.000 1.142 514 I CA 1.535 62.738 61.300 -0.161 0.000 1.451 514 I CB -0.482 37.407 38.000 -0.183 0.000 1.093 514 I HN 0.449 nan 8.210 nan 0.000 0.430 515 H N 1.019 120.019 119.070 -0.116 0.000 2.428 515 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 515 H C 1.100 176.382 175.328 -0.077 0.000 1.062 515 H CA 1.360 57.356 56.048 -0.087 0.000 1.350 515 H CB -0.017 29.694 29.762 -0.085 0.000 1.403 515 H HN 0.489 nan 8.280 nan 0.000 0.533 516 N N -0.728 117.975 118.700 0.005 0.000 2.039 516 N HA 0.086 4.826 4.740 -0.000 0.000 0.228 516 N C 0.444 175.903 175.510 -0.084 0.000 1.369 516 N CA 0.220 53.251 53.050 -0.031 0.000 0.806 516 N CB 0.113 38.589 38.487 -0.018 0.000 1.190 516 N HN 0.164 nan 8.380 nan 0.000 0.506 517 G N 0.420 109.153 108.800 -0.112 0.000 2.634 517 G HA2 0.322 4.282 3.960 -0.000 0.000 0.255 517 G HA3 0.322 4.282 3.960 -0.000 0.000 0.255 517 G C -0.029 174.736 174.900 -0.225 0.000 1.205 517 G CA -0.616 44.382 45.100 -0.169 0.000 0.884 517 G HN 0.165 nan 8.290 nan 0.000 0.549 518 R N -1.246 118.995 120.500 -0.432 0.000 2.707 518 R HA 0.364 4.704 4.340 -0.000 0.000 0.270 518 R C -0.719 175.380 176.300 -0.335 0.000 1.083 518 R CA -0.531 55.256 56.100 -0.521 0.000 1.182 518 R CB 0.714 30.415 30.300 -0.998 0.000 1.084 518 R HN 0.304 nan 8.270 nan 0.000 0.528 519 L N 1.637 122.792 121.223 -0.114 0.000 2.356 519 L HA 0.459 4.799 4.340 -0.000 0.000 0.277 519 L C -1.037 175.976 176.870 0.239 0.000 0.996 519 L CA -0.232 54.663 54.840 0.090 0.000 0.822 519 L CB 1.764 43.810 42.059 -0.021 0.000 1.256 519 L HN 0.601 nan 8.230 nan 0.000 0.413 520 M N 5.813 125.678 119.600 0.441 0.000 2.190 520 M HA 0.466 4.946 4.480 -0.000 0.000 0.312 520 M C -1.379 175.164 176.300 0.405 0.000 0.990 520 M CA -0.387 55.108 55.300 0.325 0.000 0.927 520 M CB 0.959 33.699 32.600 0.234 0.000 1.571 520 M HN 0.905 nan 8.290 nan 0.000 0.427 521 H N 2.005 121.228 119.070 0.256 0.000 2.616 521 H HA 0.670 5.226 4.556 -0.000 0.000 0.353 521 H C -1.802 173.665 175.328 0.231 0.000 1.170 521 H CA -1.053 55.232 56.048 0.396 0.000 1.212 521 H CB 1.476 31.579 29.762 0.569 0.000 1.653 521 H HN 0.543 nan 8.280 nan 0.000 0.537 522 F N 0.186 120.451 119.950 0.525 0.000 2.492 522 F HA 0.362 4.889 4.527 -0.000 0.000 0.327 522 F C 1.042 176.862 175.800 0.033 0.000 1.079 522 F CA -0.720 57.488 58.000 0.347 0.000 0.967 522 F CB 1.889 41.175 39.000 0.476 0.000 1.169 522 F HN 0.836 nan 8.300 nan 0.000 0.472 523 G N 2.865 111.525 108.800 -0.232 0.000 2.272 523 G HA2 0.304 4.264 3.960 -0.000 0.000 0.247 523 G HA3 0.304 4.264 3.960 -0.000 0.000 0.247 523 G C -2.727 172.006 174.900 -0.278 0.000 1.272 523 G CA -0.856 43.670 45.100 -0.957 0.000 0.921 523 G HN 0.245 nan 8.290 nan 0.000 0.495 524 P HA 0.157 nan 4.420 nan 0.000 0.269 524 P C -0.367 176.911 177.300 -0.037 0.000 1.209 524 P CA 0.203 63.274 63.100 -0.049 0.000 0.776 524 P CB 0.933 32.502 31.700 -0.219 0.000 0.876 525 E N 1.420 121.648 120.200 0.046 0.000 2.241 525 E HA 0.134 4.483 4.350 -0.000 0.000 0.263 525 E C -0.555 176.067 176.600 0.038 0.000 0.882 525 E CA -0.553 55.866 56.400 0.032 0.000 0.769 525 E CB 1.028 30.757 29.700 0.049 0.000 1.185 525 E HN 0.405 nan 8.360 nan 0.000 0.415 526 E N 2.475 122.685 120.200 0.017 0.000 2.360 526 E HA -0.305 4.045 4.350 -0.000 0.000 0.238 526 E C -0.321 176.293 176.600 0.023 0.000 1.186 526 E CA 0.132 56.542 56.400 0.018 0.000 0.719 526 E CB -1.024 28.689 29.700 0.022 0.000 1.236 526 E HN 0.642 nan 8.360 nan 0.000 0.386 527 N N -0.852 117.857 118.700 0.015 0.000 2.741 527 N HA -0.152 4.588 4.740 -0.000 0.000 0.250 527 N C -0.567 174.980 175.510 0.062 0.000 1.115 527 N CA 1.899 54.960 53.050 0.019 0.000 0.724 527 N CB -1.085 37.407 38.487 0.008 0.000 1.090 527 N HN 0.643 nan 8.380 nan 0.000 0.558 528 T N -3.276 111.333 114.554 0.092 0.000 2.888 528 T HA 0.623 4.973 4.350 -0.000 0.000 0.284 528 T C -0.637 174.219 174.700 0.260 0.000 1.017 528 T CA -0.646 61.538 62.100 0.140 0.000 1.022 528 T CB 2.331 71.264 68.868 0.109 0.000 1.013 528 T HN 0.273 nan 8.240 nan 0.000 0.465 529 W N 2.586 123.899 121.300 0.022 0.000 3.274 529 W HA 0.634 5.294 4.660 -0.000 0.000 0.327 529 W C -2.290 174.240 176.519 0.019 0.000 1.172 529 W CA -1.290 56.095 57.345 0.067 0.000 1.217 529 W CB 1.653 31.183 29.460 0.116 0.000 1.376 529 W HN 0.716 nan 8.180 nan 0.000 0.507 530 V N 7.553 127.377 119.914 -0.151 0.000 2.588 530 V HA 0.569 4.689 4.120 -0.000 0.000 0.304 530 V C -1.031 174.891 176.094 -0.288 0.000 1.042 530 V CA -0.810 61.210 62.300 -0.466 0.000 0.877 530 V CB 1.233 32.577 31.823 -0.799 0.000 0.996 530 V HN 0.382 nan 8.190 nan 0.000 0.425 531 Y N 2.611 122.599 120.300 -0.520 0.000 2.655 531 Y HA 0.896 5.446 4.550 -0.000 0.000 0.336 531 Y C -1.860 173.875 175.900 -0.275 0.000 1.154 531 Y CA -1.858 56.140 58.100 -0.169 0.000 1.055 531 Y CB 1.674 39.955 38.460 -0.299 0.000 1.295 531 Y HN 0.367 nan 8.280 nan 0.000 0.465 532 F N 1.269 121.401 119.950 0.304 0.000 2.569 532 F HA 0.664 5.191 4.527 0.000 0.000 0.312 532 F C -0.432 175.574 175.800 0.344 0.000 1.109 532 F CA -1.046 57.091 58.000 0.230 0.000 0.919 532 F CB 2.044 41.167 39.000 0.204 0.000 1.211 532 F HN 0.315 nan 8.300 nan 0.000 0.446 533 R N 2.492 123.242 120.500 0.416 0.000 2.407 533 R HA 0.540 4.880 4.340 -0.000 0.000 0.303 533 R C -1.405 175.096 176.300 0.335 0.000 0.981 533 R CA -0.815 55.456 56.100 0.285 0.000 0.905 533 R CB 1.307 31.692 30.300 0.141 0.000 1.099 533 R HN 0.800 nan 8.270 nan 0.000 0.459 534 Y N -0.231 120.125 120.300 0.092 0.000 2.552 534 Y HA 0.593 5.143 4.550 -0.000 0.000 0.337 534 Y C -0.977 174.936 175.900 0.023 0.000 1.094 534 Y CA -1.356 56.784 58.100 0.066 0.000 1.028 534 Y CB 1.476 39.986 38.460 0.083 0.000 1.321 534 Y HN 0.687 nan 8.280 nan 0.000 0.456 535 N N 0.318 119.080 118.700 0.105 0.000 3.364 535 N HA 0.201 4.941 4.740 -0.000 0.000 0.294 535 N C -0.255 175.306 175.510 0.084 0.000 1.562 535 N CA -0.667 52.401 53.050 0.030 0.000 0.862 535 N CB 0.728 39.181 38.487 -0.057 0.000 1.691 535 N HN 0.770 nan 8.380 nan 0.000 0.572 536 K N -1.335 119.091 120.400 0.043 0.000 2.360 536 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 536 K C -0.294 176.322 176.600 0.026 0.000 1.046 536 K CA 1.430 57.741 56.287 0.040 0.000 0.945 536 K CB -0.163 32.350 32.500 0.022 0.000 0.750 536 K HN 0.393 nan 8.250 nan 0.000 0.464 537 D N 0.586 120.993 120.400 0.012 0.000 2.277 537 D HA 0.046 4.686 4.640 -0.000 0.000 0.209 537 D C 0.135 176.439 176.300 0.007 0.000 0.970 537 D CA 0.774 54.773 54.000 -0.002 0.000 0.874 537 D CB 0.455 41.238 40.800 -0.029 0.000 0.982 537 D HN 0.177 nan 8.370 nan 0.000 0.504 538 K N -0.147 120.267 120.400 0.023 0.000 2.562 538 K HA 0.408 4.727 4.320 -0.000 0.000 0.267 538 K C -1.341 175.316 176.600 0.096 0.000 0.938 538 K CA -0.586 55.722 56.287 0.035 0.000 0.840 538 K CB 2.470 34.962 32.500 -0.013 0.000 1.390 538 K HN -0.258 nan 8.250 nan 0.000 0.428 539 R N 2.727 123.301 120.500 0.123 0.000 2.514 539 R HA 0.552 4.892 4.340 -0.000 0.000 0.301 539 R C -0.684 175.721 176.300 0.175 0.000 0.962 539 R CA -0.662 55.563 56.100 0.207 0.000 0.882 539 R CB 1.325 31.769 30.300 0.240 0.000 1.143 539 R HN 0.447 nan 8.270 nan 0.000 0.452 540 I N 3.519 124.201 120.570 0.188 0.000 2.410 540 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 540 I C -0.313 175.796 176.117 -0.014 0.000 1.009 540 I CA -0.495 60.871 61.300 0.110 0.000 1.111 540 I CB 1.885 39.966 38.000 0.135 0.000 1.262 540 I HN 0.441 nan 8.210 nan 0.000 0.443 541 M N 7.429 126.910 119.600 -0.197 0.000 2.209 541 M HA 0.533 5.013 4.480 -0.000 0.000 0.355 541 M C -1.571 174.357 176.300 -0.620 0.000 1.171 541 M CA -0.452 54.429 55.300 -0.697 0.000 1.069 541 M CB 1.373 33.551 32.600 -0.704 0.000 1.622 541 M HN 0.305 nan 8.290 nan 0.000 0.459 542 V N 4.580 123.950 119.914 -0.907 0.000 2.459 542 V HA 0.837 4.957 4.120 -0.000 0.000 0.295 542 V C -0.394 175.191 176.094 -0.849 0.000 1.029 542 V CA -0.667 61.110 62.300 -0.871 0.000 0.874 542 V CB 1.360 32.410 31.823 -1.288 0.000 0.985 542 V HN 0.941 nan 8.190 nan 0.000 0.438 543 A N 6.936 129.440 122.820 -0.526 0.000 2.374 543 A HA 0.967 5.287 4.320 -0.000 0.000 0.305 543 A C -0.656 176.805 177.584 -0.204 0.000 1.053 543 A CA -0.645 51.157 52.037 -0.393 0.000 0.726 543 A CB 1.640 20.421 19.000 -0.366 0.000 1.229 543 A HN 0.976 nan 8.150 nan 0.000 0.431 544 M N 1.186 120.736 119.600 -0.083 0.000 2.518 544 M HA 0.682 5.162 4.480 -0.000 0.000 0.300 544 M C -1.193 175.136 176.300 0.048 0.000 1.175 544 M CA -0.780 54.525 55.300 0.007 0.000 0.890 544 M CB 2.221 34.870 32.600 0.081 0.000 1.710 544 M HN 0.487 nan 8.290 nan 0.000 0.453 545 N N 2.129 120.850 118.700 0.036 0.000 2.626 545 N HA 0.247 4.987 4.740 -0.000 0.000 0.249 545 N C -1.583 173.954 175.510 0.044 0.000 1.021 545 N CA -0.252 52.823 53.050 0.042 0.000 0.886 545 N CB 0.858 39.360 38.487 0.025 0.000 1.149 545 N HN 0.847 nan 8.380 nan 0.000 0.517 546 N N 3.301 122.031 118.700 0.050 0.000 3.331 546 N HA 0.203 4.943 4.740 -0.000 0.000 0.303 546 N C -1.368 174.159 175.510 0.028 0.000 1.326 546 N CA -0.073 52.999 53.050 0.037 0.000 1.207 546 N CB -0.391 38.114 38.487 0.031 0.000 1.477 546 N HN 0.462 nan 8.380 nan 0.000 0.541 547 N N -0.128 118.590 118.700 0.030 0.000 2.396 547 N HA 0.068 4.808 4.740 -0.000 0.000 0.275 547 N C -0.763 174.764 175.510 0.028 0.000 1.218 547 N CA -0.426 52.639 53.050 0.026 0.000 0.812 547 N CB 1.579 40.081 38.487 0.024 0.000 1.592 547 N HN 0.310 nan 8.380 nan 0.000 0.480 548 D N -0.542 119.873 120.400 0.026 0.000 2.319 548 D HA -0.018 4.622 4.640 -0.000 0.000 0.230 548 D C 0.059 176.374 176.300 0.025 0.000 1.094 548 D CA 0.521 54.538 54.000 0.028 0.000 0.856 548 D CB 0.155 40.971 40.800 0.027 0.000 0.915 548 D HN 0.484 nan 8.370 nan 0.000 0.517 549 K N -0.719 119.694 120.400 0.022 0.000 2.340 549 K HA 0.644 4.964 4.320 -0.000 0.000 0.244 549 K C -3.149 173.463 176.600 0.021 0.000 0.973 549 K CA -2.225 54.074 56.287 0.020 0.000 0.828 549 K CB 1.690 34.201 32.500 0.017 0.000 1.226 549 K HN -0.285 nan 8.250 nan 0.000 0.437 550 P HA 0.132 nan 4.420 nan 0.000 0.272 550 P C -0.832 176.479 177.300 0.019 0.000 1.223 550 P CA -0.205 62.906 63.100 0.018 0.000 0.784 550 P CB 0.463 32.172 31.700 0.015 0.000 0.923 551 M N 1.169 120.781 119.600 0.020 0.000 2.464 551 M HA 0.338 4.818 4.480 -0.000 0.000 0.308 551 M C -0.495 175.820 176.300 0.025 0.000 1.127 551 M CA -0.183 55.132 55.300 0.025 0.000 0.913 551 M CB 1.939 34.558 32.600 0.032 0.000 1.689 551 M HN 0.145 nan 8.290 nan 0.000 0.445 552 T N 4.134 118.705 114.554 0.028 0.000 2.815 552 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 552 T C -0.310 174.416 174.700 0.044 0.000 1.000 552 T CA -0.483 61.636 62.100 0.030 0.000 0.958 552 T CB 0.791 69.671 68.868 0.022 0.000 0.944 552 T HN 0.449 nan 8.240 nan 0.000 0.442 553 L N 5.384 126.648 121.223 0.068 0.000 2.280 553 L HA 0.409 4.749 4.340 -0.000 0.000 0.287 553 L C -2.372 174.558 176.870 0.099 0.000 1.023 553 L CA -2.469 52.436 54.840 0.109 0.000 0.819 553 L CB 1.278 43.467 42.059 0.217 0.000 1.212 553 L HN 0.267 nan 8.230 nan 0.000 0.420 554 P HA -0.006 nan 4.420 nan 0.000 0.264 554 P C 0.801 178.087 177.300 -0.024 0.000 1.193 554 P CA 0.058 63.153 63.100 -0.009 0.000 0.763 554 P CB 0.651 32.318 31.700 -0.055 0.000 0.810 555 T N -0.334 114.241 114.554 0.034 0.000 3.100 555 T HA 0.088 4.438 4.350 -0.000 0.000 0.253 555 T C 1.692 176.375 174.700 -0.028 0.000 1.118 555 T CA 0.527 62.693 62.100 0.110 0.000 1.058 555 T CB -0.492 68.471 68.868 0.157 0.000 0.953 555 T HN 0.272 nan 8.240 nan 0.000 0.515 556 A N 2.544 125.310 122.820 -0.090 0.000 1.917 556 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 556 A C 2.466 179.932 177.584 -0.196 0.000 1.182 556 A CA 1.871 53.845 52.037 -0.105 0.000 0.633 556 A CB -0.883 18.064 19.000 -0.089 0.000 0.819 556 A HN 0.535 nan 8.150 nan 0.000 0.448 557 R N -1.612 118.638 120.500 -0.417 0.000 2.117 557 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 557 R C 0.566 176.507 176.300 -0.599 0.000 1.143 557 R CA 1.902 57.623 56.100 -0.631 0.000 0.968 557 R CB -0.263 29.328 30.300 -1.182 0.000 0.863 557 R HN 0.526 nan 8.270 nan 0.000 0.444 558 F N -0.022 119.801 119.950 -0.211 0.000 2.639 558 F HA 0.233 4.760 4.527 -0.000 0.000 0.302 558 F C 1.551 177.278 175.800 -0.123 0.000 1.097 558 F CA -0.389 57.407 58.000 -0.339 0.000 1.294 558 F CB 0.365 39.133 39.000 -0.388 0.000 1.027 558 F HN -0.131 nan 8.300 nan 0.000 0.550 559 Q N 1.185 121.009 119.800 0.039 0.000 2.291 559 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 559 Q C 1.977 177.968 176.000 -0.015 0.000 0.976 559 Q CA 1.298 57.108 55.803 0.012 0.000 0.875 559 Q CB -0.364 28.372 28.738 -0.003 0.000 0.927 559 Q HN 0.676 nan 8.270 nan 0.000 0.450 560 E N -0.975 119.239 120.200 0.023 0.000 2.338 560 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 560 E C 1.480 177.979 176.600 -0.168 0.000 1.007 560 E CA 0.716 57.095 56.400 -0.035 0.000 0.849 560 E CB 0.045 29.752 29.700 0.010 0.000 0.774 560 E HN 0.190 nan 8.360 nan 0.000 0.506 561 M N 0.131 119.572 119.600 -0.265 0.000 2.730 561 M HA 0.187 4.667 4.480 -0.000 0.000 0.258 561 M C 2.177 178.192 176.300 -0.476 0.000 1.279 561 M CA 0.447 55.365 55.300 -0.636 0.000 1.183 561 M CB -0.026 31.685 32.600 -1.481 0.000 1.291 561 M HN 0.164 nan 8.290 nan 0.000 0.518 562 L N 0.191 121.260 121.223 -0.256 0.000 2.209 562 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 562 L C 0.555 177.402 176.870 -0.038 0.000 1.094 562 L CA 0.285 55.087 54.840 -0.063 0.000 0.790 562 L CB -0.181 41.912 42.059 0.055 0.000 0.932 562 L HN 0.222 nan 8.230 nan 0.000 0.447 563 K N 0.913 121.284 120.400 -0.049 0.000 3.311 563 K HA -0.246 4.074 4.320 -0.000 0.000 0.270 563 K C 0.960 177.555 176.600 -0.009 0.000 0.927 563 K CA 0.792 57.061 56.287 -0.031 0.000 0.706 563 K CB -2.154 30.321 32.500 -0.042 0.000 1.418 563 K HN 0.669 nan 8.250 nan 0.000 0.459 564 G N -1.449 107.353 108.800 0.003 0.000 2.179 564 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 564 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 564 G C 0.326 175.236 174.900 0.017 0.000 0.977 564 G CA 0.645 45.751 45.100 0.010 0.000 0.641 564 G HN 1.083 nan 8.290 nan 0.000 0.533 565 A N 0.951 123.785 122.820 0.024 0.000 2.561 565 A HA 0.491 4.811 4.320 -0.000 0.000 0.251 565 A C 0.209 177.812 177.584 0.031 0.000 1.062 565 A CA 0.434 52.490 52.037 0.031 0.000 0.761 565 A CB 0.388 19.416 19.000 0.047 0.000 0.986 565 A HN 0.263 nan 8.150 nan 0.000 0.510 566 P HA 0.003 nan 4.420 nan 0.000 0.224 566 P C 0.256 177.568 177.300 0.021 0.000 1.157 566 P CA 1.355 64.467 63.100 0.021 0.000 0.799 566 P CB 0.095 31.805 31.700 0.016 0.000 0.809 567 S N -2.857 112.856 115.700 0.022 0.000 2.643 567 S HA 0.690 5.160 4.470 -0.000 0.000 0.266 567 S C -0.676 173.935 174.600 0.019 0.000 1.130 567 S CA -0.274 57.936 58.200 0.016 0.000 0.817 567 S CB 1.319 64.526 63.200 0.012 0.000 1.107 567 S HN 0.310 nan 8.310 nan 0.000 0.471 568 G N -0.596 108.211 108.800 0.011 0.000 2.649 568 G HA2 0.602 4.562 3.960 -0.000 0.000 0.290 568 G HA3 0.602 4.562 3.960 -0.000 0.000 0.290 568 G C -1.898 173.008 174.900 0.009 0.000 1.426 568 G CA -0.506 44.603 45.100 0.015 0.000 0.794 568 G HN 1.161 nan 8.290 nan 0.000 0.483 569 V N 0.938 120.864 119.914 0.019 0.000 2.394 569 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 569 V C -0.353 175.751 176.094 0.016 0.000 1.031 569 V CA -0.531 61.780 62.300 0.018 0.000 0.881 569 V CB 1.515 33.360 31.823 0.037 0.000 0.982 569 V HN 0.791 nan 8.190 nan 0.000 0.451 570 D N 3.163 123.557 120.400 -0.010 0.000 2.346 570 D HA 0.014 4.654 4.640 -0.000 0.000 0.260 570 D C 0.751 177.042 176.300 -0.014 0.000 1.252 570 D CA -0.118 53.865 54.000 -0.028 0.000 0.895 570 D CB 0.524 41.288 40.800 -0.059 0.000 1.097 570 D HN 0.392 nan 8.370 nan 0.000 0.489 571 F N 4.256 124.101 119.950 -0.175 0.000 2.154 571 F HA -0.192 4.335 4.527 -0.000 0.000 0.301 571 F C 1.287 176.947 175.800 -0.234 0.000 1.087 571 F CA 1.445 59.298 58.000 -0.245 0.000 1.274 571 F CB -0.081 38.645 39.000 -0.457 0.000 1.009 571 F HN 0.473 nan 8.300 nan 0.000 0.485 572 L N -0.501 120.519 121.223 -0.340 0.000 1.993 572 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 572 L C 2.686 179.389 176.870 -0.278 0.000 1.074 572 L CA 1.660 56.274 54.840 -0.376 0.000 0.746 572 L CB -1.253 40.683 42.059 -0.205 0.000 0.896 572 L HN 0.245 nan 8.230 nan 0.000 0.435 573 S N -0.732 114.870 115.700 -0.164 0.000 2.496 573 S HA 0.081 4.551 4.470 -0.000 0.000 0.224 573 S C 1.646 176.184 174.600 -0.104 0.000 0.996 573 S CA 0.489 58.626 58.200 -0.106 0.000 0.927 573 S CB 0.301 63.465 63.200 -0.060 0.000 0.774 573 S HN 0.616 nan 8.310 nan 0.000 0.524 574 G N 2.189 110.918 108.800 -0.118 0.000 2.184 574 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.264 574 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.264 574 G C 0.009 174.886 174.900 -0.038 0.000 0.975 574 G CA 0.553 45.608 45.100 -0.075 0.000 0.642 574 G HN 0.986 nan 8.290 nan 0.000 0.536 575 K N 0.390 120.767 120.400 -0.039 0.000 2.202 575 K HA 0.521 4.841 4.320 -0.000 0.000 0.264 575 K C 0.256 176.846 176.600 -0.017 0.000 1.010 575 K CA 0.197 56.470 56.287 -0.024 0.000 0.940 575 K CB 0.965 33.451 32.500 -0.023 0.000 0.983 575 K HN 0.170 nan 8.250 nan 0.000 0.475 576 T N 1.182 115.730 114.554 -0.009 0.000 2.907 576 T HA 0.231 4.581 4.350 -0.000 0.000 0.298 576 T C -0.728 173.965 174.700 -0.010 0.000 1.017 576 T CA -0.645 61.452 62.100 -0.005 0.000 1.118 576 T CB 0.392 69.260 68.868 0.000 0.000 0.948 576 T HN 0.373 nan 8.240 nan 0.000 0.531 577 V N 4.743 124.649 119.914 -0.012 0.000 2.443 577 V HA 0.576 4.696 4.120 -0.000 0.000 0.293 577 V C 0.975 177.064 176.094 -0.010 0.000 1.021 577 V CA -0.976 61.313 62.300 -0.018 0.000 0.848 577 V CB 1.436 33.237 31.823 -0.036 0.000 0.998 577 V HN 1.140 nan 8.190 nan 0.000 0.424 578 G N 3.525 112.323 108.800 -0.005 0.000 2.398 578 G HA2 0.431 4.391 3.960 -0.000 0.000 0.246 578 G HA3 0.431 4.391 3.960 -0.000 0.000 0.246 578 G C 0.257 175.161 174.900 0.007 0.000 1.289 578 G CA -0.064 45.038 45.100 0.004 0.000 0.869 578 G HN 0.747 nan 8.290 nan 0.000 0.543 579 L N 2.398 123.631 121.223 0.017 0.000 3.086 579 L HA 0.215 4.555 4.340 -0.000 0.000 0.274 579 L C 2.471 179.364 176.870 0.039 0.000 1.184 579 L CA 0.304 55.163 54.840 0.031 0.000 1.002 579 L CB 0.614 42.694 42.059 0.036 0.000 1.383 579 L HN 0.721 nan 8.230 nan 0.000 0.582 580 G N 0.662 109.478 108.800 0.027 0.000 2.459 580 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 580 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 580 G C 1.728 176.643 174.900 0.024 0.000 1.183 580 G CA 0.734 45.849 45.100 0.024 0.000 0.776 580 G HN 0.238 nan 8.290 nan 0.000 0.552 581 R N -0.473 120.041 120.500 0.023 0.000 2.470 581 R HA 0.208 4.548 4.340 -0.000 0.000 0.210 581 R C 0.069 176.383 176.300 0.024 0.000 0.873 581 R CA 0.413 56.523 56.100 0.018 0.000 1.015 581 R CB 0.728 31.035 30.300 0.010 0.000 1.348 581 R HN 0.604 nan 8.270 nan 0.000 0.650 582 E N 0.916 121.134 120.200 0.030 0.000 2.356 582 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 582 E C -1.545 175.080 176.600 0.041 0.000 0.904 582 E CA -0.894 55.529 56.400 0.039 0.000 0.757 582 E CB 1.949 31.664 29.700 0.025 0.000 1.232 582 E HN -0.131 nan 8.360 nan 0.000 0.442 583 L N 2.124 123.380 121.223 0.055 0.000 2.276 583 L HA 0.433 4.773 4.340 -0.000 0.000 0.286 583 L C -0.793 176.089 176.870 0.019 0.000 1.024 583 L CA -0.413 54.443 54.840 0.028 0.000 0.826 583 L CB 0.859 42.928 42.059 0.016 0.000 1.211 583 L HN 0.535 nan 8.230 nan 0.000 0.422 584 R N 6.327 126.830 120.500 0.006 0.000 2.198 584 R HA 0.498 4.838 4.340 -0.000 0.000 0.339 584 R C -1.180 175.118 176.300 -0.004 0.000 1.020 584 R CA -0.513 55.590 56.100 0.005 0.000 0.864 584 R CB 0.745 31.049 30.300 0.005 0.000 1.105 584 R HN 0.623 nan 8.270 nan 0.000 0.463 585 L N 2.771 123.993 121.223 -0.001 0.000 2.296 585 L HA 0.451 4.791 4.340 -0.000 0.000 0.286 585 L C 0.560 177.432 176.870 0.004 0.000 1.023 585 L CA -0.742 54.094 54.840 -0.007 0.000 0.812 585 L CB 1.755 43.808 42.059 -0.009 0.000 1.223 585 L HN 0.650 nan 8.230 nan 0.000 0.421 586 A N 5.316 128.138 122.820 0.003 0.000 2.406 586 A HA 0.425 4.745 4.320 -0.000 0.000 0.243 586 A C -2.307 175.288 177.584 0.018 0.000 1.082 586 A CA -1.012 51.032 52.037 0.012 0.000 0.786 586 A CB -0.474 18.534 19.000 0.013 0.000 1.029 586 A HN 0.451 nan 8.150 nan 0.000 0.495 587 P HA 0.052 nan 4.420 nan 0.000 0.263 587 P C -0.392 176.931 177.300 0.037 0.000 1.175 587 P CA 0.580 63.698 63.100 0.030 0.000 0.761 587 P CB 0.086 31.806 31.700 0.032 0.000 0.794 588 K N -0.928 119.495 120.400 0.039 0.000 3.035 588 K HA -0.180 4.140 4.320 -0.000 0.000 0.262 588 K C 0.279 176.903 176.600 0.041 0.000 1.024 588 K CA 0.527 56.842 56.287 0.046 0.000 0.748 588 K CB -1.769 30.769 32.500 0.064 0.000 1.247 588 K HN 0.471 nan 8.250 nan 0.000 0.482 589 S N 0.154 115.869 115.700 0.025 0.000 2.654 589 S HA 0.635 5.105 4.470 -0.000 0.000 0.283 589 S C -0.600 173.995 174.600 -0.009 0.000 1.180 589 S CA -0.488 57.717 58.200 0.009 0.000 1.021 589 S CB 1.941 65.140 63.200 -0.002 0.000 1.018 589 S HN 0.281 nan 8.310 nan 0.000 0.532 590 V N 4.620 124.517 119.914 -0.029 0.000 2.760 590 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 590 V C -0.929 175.113 176.094 -0.087 0.000 1.077 590 V CA -0.322 61.942 62.300 -0.059 0.000 0.910 590 V CB 1.769 33.565 31.823 -0.045 0.000 1.008 590 V HN 0.997 nan 8.190 nan 0.000 0.424 591 V N 4.399 124.237 119.914 -0.127 0.000 2.864 591 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 591 V C -1.003 174.982 176.094 -0.181 0.000 1.073 591 V CA -0.656 61.562 62.300 -0.137 0.000 0.956 591 V CB 1.953 33.700 31.823 -0.127 0.000 1.023 591 V HN 0.694 nan 8.190 nan 0.000 0.435 592 V N 4.886 124.711 119.914 -0.149 0.000 2.447 592 V HA 0.543 4.663 4.120 -0.000 0.000 0.292 592 V C -0.469 175.575 176.094 -0.084 0.000 1.021 592 V CA -0.122 62.089 62.300 -0.149 0.000 0.850 592 V CB 1.264 32.986 31.823 -0.167 0.000 1.005 592 V HN 0.829 nan 8.190 nan 0.000 0.426 593 I N 3.772 124.285 120.570 -0.094 0.000 2.436 593 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 593 I C 0.011 176.137 176.117 0.015 0.000 1.010 593 I CA -0.415 60.863 61.300 -0.037 0.000 1.098 593 I CB 2.110 40.068 38.000 -0.071 0.000 1.266 593 I HN 0.603 nan 8.210 nan 0.000 0.434 594 E N 7.307 127.542 120.200 0.058 0.000 2.197 594 E HA 0.655 5.005 4.350 -0.000 0.000 0.281 594 E C -1.536 175.105 176.600 0.069 0.000 0.995 594 E CA -0.454 55.995 56.400 0.082 0.000 0.808 594 E CB 1.215 30.972 29.700 0.096 0.000 1.093 594 E HN 0.495 nan 8.360 nan 0.000 0.394 595 L N 4.750 126.020 121.223 0.079 0.000 2.376 595 L HA 0.526 4.865 4.340 -0.000 0.000 0.258 595 L C -2.326 174.581 176.870 0.063 0.000 1.013 595 L CA -2.612 52.272 54.840 0.073 0.000 0.822 595 L CB 2.151 44.267 42.059 0.096 0.000 1.388 595 L HN 0.520 nan 8.230 nan 0.000 0.413 596 P HA 0.068 nan 4.420 nan 0.000 0.270 596 P C -0.123 177.203 177.300 0.044 0.000 1.223 596 P CA -0.203 62.920 63.100 0.037 0.000 0.785 596 P CB 0.383 32.099 31.700 0.028 0.000 0.923 597 G N 1.393 110.217 108.800 0.039 0.000 2.559 597 G HA2 0.215 4.175 3.960 -0.000 0.000 0.235 597 G HA3 0.215 4.175 3.960 -0.000 0.000 0.235 597 G C -0.523 174.401 174.900 0.040 0.000 1.266 597 G CA -0.256 44.874 45.100 0.050 0.000 0.847 597 G HN 0.358 nan 8.290 nan 0.000 0.583 598 L N 2.246 123.497 121.223 0.046 0.000 2.397 598 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 598 L C -1.208 175.676 176.870 0.024 0.000 1.148 598 L CA -1.326 53.525 54.840 0.019 0.000 0.825 598 L CB 0.514 42.569 42.059 -0.006 0.000 1.117 598 L HN 0.385 nan 8.230 nan 0.000 0.456 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.108 63.100 0.013 0.000 0.800 599 P CB 0.000 31.703 31.700 0.006 0.000 0.726