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 3ede_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 PRLNMVGEEW 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 0.000 177.180 177.300 -0.200 0.000 1.155 3 P CA 0.000 62.974 63.100 -0.211 0.000 0.800 3 P CB 0.000 31.447 31.700 -0.421 0.000 0.726 4 T N 0.123 114.543 114.554 -0.223 0.000 2.977 4 T HA 0.645 4.995 4.350 -0.000 0.000 0.346 4 T C 0.219 174.809 174.700 -0.183 0.000 1.140 4 T CA 0.468 62.464 62.100 -0.174 0.000 1.040 4 T CB 0.797 69.577 68.868 -0.148 0.000 1.046 4 T HN 0.882 nan 8.240 nan 0.000 0.494 5 A N 3.970 126.692 122.820 -0.164 0.000 5.218 5 A HA -0.197 4.123 4.320 -0.000 0.000 0.318 5 A C 0.089 177.540 177.584 -0.221 0.000 1.887 5 A CA 0.441 52.386 52.037 -0.153 0.000 0.712 5 A CB -1.567 17.369 19.000 -0.107 0.000 1.343 5 A HN 0.654 nan 8.150 nan 0.000 0.377 6 I N 1.718 122.167 120.570 -0.202 0.000 2.291 6 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 6 I C 1.288 177.257 176.117 -0.247 0.000 1.050 6 I CA 0.619 61.767 61.300 -0.254 0.000 1.245 6 I CB 0.403 38.295 38.000 -0.180 0.000 1.405 6 I HN 0.853 nan 8.210 nan 0.000 0.478 7 E N 5.489 125.481 120.200 -0.347 0.000 2.051 7 E HA -0.017 4.333 4.350 -0.000 0.000 0.189 7 E C -0.076 176.178 176.600 -0.576 0.000 0.979 7 E CA 0.868 56.999 56.400 -0.449 0.000 0.803 7 E CB 0.474 29.873 29.700 -0.502 0.000 0.761 7 E HN 0.548 nan 8.360 nan 0.000 0.451 8 H N -0.550 118.405 119.070 -0.192 0.000 2.600 8 H HA 0.362 4.918 4.556 -0.000 0.000 0.357 8 H C -1.126 174.103 175.328 -0.165 0.000 1.106 8 H CA -0.800 55.149 56.048 -0.166 0.000 1.193 8 H CB 1.675 31.341 29.762 -0.159 0.000 1.594 8 H HN 0.065 nan 8.280 nan 0.000 0.526 9 M N 2.702 122.233 119.600 -0.115 0.000 2.142 9 M HA 0.291 4.771 4.480 -0.000 0.000 0.299 9 M C -1.504 174.616 176.300 -0.300 0.000 0.960 9 M CA -0.065 55.062 55.300 -0.289 0.000 0.920 9 M CB 1.238 33.407 32.600 -0.718 0.000 1.541 9 M HN 0.529 nan 8.290 nan 0.000 0.429 10 E N 6.499 126.550 120.200 -0.248 0.000 2.260 10 E HA 0.484 4.834 4.350 -0.000 0.000 0.266 10 E C -2.699 173.737 176.600 -0.272 0.000 0.887 10 E CA -1.997 54.121 56.400 -0.471 0.000 0.777 10 E CB 1.977 31.544 29.700 -0.222 0.000 1.205 10 E HN 0.429 nan 8.360 nan 0.000 0.414 11 P HA 0.057 nan 4.420 nan 0.000 0.272 11 P C -2.121 174.907 177.300 -0.453 0.000 1.223 11 P CA -1.295 61.412 63.100 -0.656 0.000 0.784 11 P CB 0.591 32.242 31.700 -0.082 0.000 0.923 12 P HA 0.020 nan 4.420 nan 0.000 0.231 12 P C -0.125 177.021 177.300 -0.257 0.000 1.168 12 P CA 1.078 63.974 63.100 -0.340 0.000 0.779 12 P CB -0.032 31.482 31.700 -0.310 0.000 0.844 13 F N -4.564 115.258 119.950 -0.214 0.000 2.773 13 F HA 0.690 5.217 4.527 -0.000 0.000 0.314 13 F C -1.060 174.799 175.800 0.099 0.000 1.160 13 F CA -1.576 56.157 58.000 -0.447 0.000 0.920 13 F CB 0.587 39.328 39.000 -0.432 0.000 1.323 13 F HN -0.160 nan 8.300 nan 0.000 0.457 14 W N 0.503 121.797 121.300 -0.010 0.000 3.305 14 W HA 0.530 5.190 4.660 -0.000 0.000 0.398 14 W C -1.923 174.431 176.519 -0.276 0.000 1.077 14 W CA -0.937 56.400 57.345 -0.014 0.000 1.137 14 W CB 1.917 31.632 29.460 0.426 0.000 1.501 14 W HN 0.573 nan 8.180 nan 0.000 0.612 15 W N 1.579 122.946 121.300 0.112 0.000 2.819 15 W HA 0.544 5.204 4.660 -0.000 0.000 0.337 15 W C -0.172 176.462 176.519 0.193 0.000 1.077 15 W CA -0.868 56.513 57.345 0.059 0.000 1.226 15 W CB 1.483 30.851 29.460 -0.153 0.000 1.419 15 W HN 0.371 nan 8.180 nan 0.000 0.502 16 A N 0.876 123.925 122.820 0.381 0.000 2.407 16 A HA 0.539 4.859 4.320 -0.000 0.000 0.248 16 A C 0.976 178.714 177.584 0.257 0.000 1.082 16 A CA 0.964 53.191 52.037 0.316 0.000 0.785 16 A CB -0.103 19.053 19.000 0.260 0.000 1.020 16 A HN 1.528 nan 8.150 nan 0.000 0.489 17 G N 0.822 109.747 108.800 0.209 0.000 2.149 17 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.235 17 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.235 17 G C 0.110 175.072 174.900 0.103 0.000 1.018 17 G CA 0.296 45.478 45.100 0.136 0.000 0.728 17 G HN 0.562 nan 8.290 nan 0.000 0.508 18 M N -0.601 119.090 119.600 0.151 0.000 2.202 18 M HA 0.336 4.816 4.480 -0.000 0.000 0.316 18 M C 1.499 177.855 176.300 0.094 0.000 1.138 18 M CA -0.377 54.983 55.300 0.100 0.000 1.151 18 M CB 0.820 33.550 32.600 0.217 0.000 1.422 18 M HN 0.207 nan 8.290 nan 0.000 0.471 19 Q N 1.018 120.840 119.800 0.037 0.000 2.016 19 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 19 Q C 0.174 176.237 176.000 0.105 0.000 0.978 19 Q CA 1.731 57.556 55.803 0.037 0.000 0.833 19 Q CB -0.206 28.517 28.738 -0.025 0.000 0.895 19 Q HN 0.636 nan 8.270 nan 0.000 0.427 20 H N 0.548 119.660 119.070 0.070 0.000 2.742 20 H HA 0.117 4.673 4.556 -0.000 0.000 0.302 20 H C 0.401 175.823 175.328 0.157 0.000 1.069 20 H CA -0.136 55.971 56.048 0.099 0.000 1.446 20 H CB 0.708 30.537 29.762 0.111 0.000 1.462 20 H HN -0.001 nan 8.280 nan 0.000 0.499 21 K N 3.339 123.649 120.400 -0.150 0.000 2.228 21 K HA 0.073 4.393 4.320 -0.000 0.000 0.202 21 K C 0.989 177.590 176.600 0.002 0.000 1.051 21 K CA 0.669 56.946 56.287 -0.017 0.000 0.960 21 K CB -0.096 32.373 32.500 -0.051 0.000 0.743 21 K HN 0.732 nan 8.250 nan 0.000 0.458 22 G N 1.928 110.632 108.800 -0.160 0.000 2.398 22 G HA2 0.315 4.274 3.960 -0.000 0.000 0.246 22 G HA3 0.315 4.274 3.960 -0.000 0.000 0.246 22 G C -0.875 174.109 174.900 0.141 0.000 1.289 22 G CA -0.264 44.847 45.100 0.018 0.000 0.869 22 G HN 0.132 nan 8.290 nan 0.000 0.543 23 L N 1.170 122.386 121.223 -0.011 0.000 2.409 23 L HA 0.526 4.866 4.340 -0.000 0.000 0.272 23 L C -0.417 176.370 176.870 -0.137 0.000 0.980 23 L CA -0.703 54.014 54.840 -0.205 0.000 0.826 23 L CB 2.304 44.123 42.059 -0.399 0.000 1.268 23 L HN 0.570 nan 8.230 nan 0.000 0.407 24 Q N 4.970 124.698 119.800 -0.120 0.000 2.368 24 Q HA 0.562 4.902 4.340 -0.000 0.000 0.263 24 Q C -1.688 174.308 176.000 -0.007 0.000 1.009 24 Q CA -0.576 55.228 55.803 0.003 0.000 0.818 24 Q CB 1.154 29.958 28.738 0.111 0.000 1.239 24 Q HN 0.766 nan 8.270 nan 0.000 0.464 25 L N 4.282 125.494 121.223 -0.018 0.000 2.276 25 L HA 0.459 4.799 4.340 -0.000 0.000 0.286 25 L C -0.026 176.838 176.870 -0.011 0.000 1.061 25 L CA -0.347 54.463 54.840 -0.050 0.000 0.807 25 L CB 1.166 43.151 42.059 -0.122 0.000 1.177 25 L HN 0.618 nan 8.230 nan 0.000 0.429 26 M N 4.859 124.439 119.600 -0.032 0.000 2.066 26 M HA 0.447 4.927 4.480 -0.000 0.000 0.340 26 M C -1.389 174.822 176.300 -0.149 0.000 1.053 26 M CA -0.516 54.650 55.300 -0.223 0.000 0.983 26 M CB 1.036 33.646 32.600 0.017 0.000 1.520 26 M HN 0.329 nan 8.290 nan 0.000 0.428 27 V N 4.927 124.699 119.914 -0.237 0.000 2.435 27 V HA 0.456 4.576 4.120 -0.000 0.000 0.290 27 V C -0.380 175.635 176.094 -0.133 0.000 1.030 27 V CA -0.664 61.516 62.300 -0.200 0.000 0.881 27 V CB 1.423 33.061 31.823 -0.308 0.000 0.983 27 V HN 0.785 nan 8.190 nan 0.000 0.445 28 H N 2.670 121.611 119.070 -0.215 0.000 2.589 28 H HA 0.772 5.328 4.556 -0.000 0.000 0.351 28 H C -0.309 174.827 175.328 -0.320 0.000 1.074 28 H CA 0.134 56.002 56.048 -0.301 0.000 1.203 28 H CB 2.238 31.955 29.762 -0.075 0.000 1.558 28 H HN 0.934 nan 8.280 nan 0.000 0.522 29 G N 3.699 111.941 108.800 -0.931 0.000 2.355 29 G HA2 0.059 4.019 3.960 -0.000 0.000 0.296 29 G HA3 0.059 4.019 3.960 -0.000 0.000 0.296 29 G C -1.434 173.155 174.900 -0.518 0.000 1.507 29 G CA -1.125 43.530 45.100 -0.741 0.000 0.823 29 G HN 0.668 nan 8.290 nan 0.000 0.569 30 R N 0.968 121.246 120.500 -0.370 0.000 2.473 30 R HA 0.184 4.524 4.340 -0.000 0.000 0.315 30 R C -0.085 176.114 176.300 -0.169 0.000 0.972 30 R CA 1.012 56.977 56.100 -0.224 0.000 1.047 30 R CB -0.186 30.016 30.300 -0.162 0.000 0.932 30 R HN 0.600 nan 8.270 nan 0.000 0.411 31 D N 3.123 123.447 120.400 -0.127 0.000 3.012 31 D HA -0.254 4.386 4.640 -0.000 0.000 0.222 31 D C 0.914 177.167 176.300 -0.079 0.000 1.167 31 D CA 0.758 54.712 54.000 -0.076 0.000 0.854 31 D CB -0.452 40.318 40.800 -0.049 0.000 1.107 31 D HN 0.555 nan 8.370 nan 0.000 0.421 32 I N 0.282 120.769 120.570 -0.138 0.000 2.546 32 I HA -0.093 4.077 4.170 -0.000 0.000 0.255 32 I C 2.523 178.607 176.117 -0.055 0.000 1.163 32 I CA 1.792 63.001 61.300 -0.152 0.000 1.457 32 I CB -0.793 37.031 38.000 -0.294 0.000 1.092 32 I HN 0.173 nan 8.210 nan 0.000 0.434 33 G N 0.429 109.217 108.800 -0.020 0.000 2.448 33 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 33 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 33 G C 1.721 176.656 174.900 0.058 0.000 1.127 33 G CA 0.112 45.243 45.100 0.052 0.000 0.766 33 G HN 0.362 nan 8.290 nan 0.000 0.552 34 R N -0.611 119.910 120.500 0.035 0.000 2.307 34 R HA 0.190 4.530 4.340 -0.000 0.000 0.199 34 R C 0.821 177.153 176.300 0.054 0.000 1.000 34 R CA 0.108 56.231 56.100 0.039 0.000 1.023 34 R CB -0.061 30.253 30.300 0.022 0.000 0.908 34 R HN 0.328 nan 8.270 nan 0.000 0.473 35 M N 0.983 120.629 119.600 0.076 0.000 2.267 35 M HA 0.152 4.632 4.480 -0.000 0.000 0.303 35 M C 0.247 176.628 176.300 0.135 0.000 1.164 35 M CA -0.187 55.185 55.300 0.120 0.000 1.060 35 M CB 0.966 33.687 32.600 0.201 0.000 1.455 35 M HN 0.004 nan 8.290 nan 0.000 0.483 36 E N 0.577 120.848 120.200 0.119 0.000 2.222 36 E HA 0.715 5.065 4.350 -0.000 0.000 0.267 36 E C -1.664 174.947 176.600 0.018 0.000 0.884 36 E CA -0.985 55.463 56.400 0.079 0.000 0.764 36 E CB 1.949 31.674 29.700 0.041 0.000 1.169 36 E HN 0.696 nan 8.360 nan 0.000 0.413 37 A N 2.451 125.239 122.820 -0.052 0.000 2.316 37 A HA 0.770 5.090 4.320 -0.000 0.000 0.284 37 A C -0.490 176.975 177.584 -0.198 0.000 1.115 37 A CA 0.041 51.897 52.037 -0.301 0.000 0.812 37 A CB 1.014 19.813 19.000 -0.335 0.000 1.064 37 A HN 0.845 nan 8.150 nan 0.000 0.489 38 A N 0.872 123.548 122.820 -0.239 0.000 2.549 38 A HA 0.770 5.090 4.320 -0.000 0.000 0.297 38 A C -1.028 176.498 177.584 -0.097 0.000 1.061 38 A CA -0.322 51.641 52.037 -0.123 0.000 0.690 38 A CB 1.083 20.037 19.000 -0.076 0.000 1.287 38 A HN 2.206 nan 8.150 nan 0.000 0.402 39 L N -1.569 119.628 121.223 -0.043 0.000 2.671 39 L HA 0.969 5.309 4.340 -0.000 0.000 0.259 39 L C -1.458 175.411 176.870 -0.002 0.000 1.021 39 L CA -0.541 54.308 54.840 0.014 0.000 0.871 39 L CB 2.085 44.179 42.059 0.057 0.000 1.472 39 L HN 0.450 nan 8.230 nan 0.000 0.410 40 D N 0.269 120.691 120.400 0.037 0.000 2.386 40 D HA 0.511 5.151 4.640 -0.000 0.000 0.247 40 D C -2.195 174.159 176.300 0.090 0.000 1.336 40 D CA 0.185 54.200 54.000 0.025 0.000 0.976 40 D CB 1.136 41.955 40.800 0.032 0.000 1.257 40 D HN 0.649 nan 8.370 nan 0.000 0.570 41 Y N 2.994 123.182 120.300 -0.187 0.000 2.442 41 Y HA 0.467 5.017 4.550 -0.000 0.000 0.330 41 Y C -2.617 173.186 175.900 -0.163 0.000 1.100 41 Y CA -1.963 56.021 58.100 -0.193 0.000 1.034 41 Y CB 2.033 40.222 38.460 -0.451 0.000 1.285 41 Y HN 0.169 nan 8.280 nan 0.000 0.440 42 P HA 0.282 nan 4.420 nan 0.000 0.267 42 P C 0.492 177.631 177.300 -0.269 0.000 1.205 42 P CA 1.769 64.668 63.100 -0.334 0.000 0.765 42 P CB 0.806 32.301 31.700 -0.341 0.000 0.828 43 G N 1.471 110.195 108.800 -0.126 0.000 2.225 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 -0.048 174.841 174.900 -0.017 0.000 0.988 43 G CA -0.095 44.975 45.100 -0.050 0.000 0.625 43 G HN 0.541 nan 8.290 nan 0.000 0.527 44 V N 1.584 121.469 119.914 -0.048 0.000 2.357 44 V HA 0.641 4.761 4.120 -0.000 0.000 0.284 44 V C 0.519 176.551 176.094 -0.103 0.000 1.018 44 V CA -0.672 61.579 62.300 -0.082 0.000 0.841 44 V CB 1.497 33.176 31.823 -0.240 0.000 0.991 44 V HN 0.461 nan 8.190 nan 0.000 0.437 45 R N 4.760 125.219 120.500 -0.068 0.000 2.460 45 R HA 0.530 4.870 4.340 -0.000 0.000 0.303 45 R C -1.205 175.063 176.300 -0.054 0.000 0.968 45 R CA -0.749 55.316 56.100 -0.057 0.000 0.889 45 R CB 1.339 31.616 30.300 -0.037 0.000 1.123 45 R HN 0.578 nan 8.270 nan 0.000 0.455 46 L N 6.349 127.541 121.223 -0.051 0.000 2.264 46 L HA 0.326 4.666 4.340 -0.000 0.000 0.289 46 L C -0.833 176.023 176.870 -0.022 0.000 1.044 46 L CA -0.361 54.455 54.840 -0.040 0.000 0.807 46 L CB 1.542 43.573 42.059 -0.047 0.000 1.192 46 L HN 0.478 nan 8.230 nan 0.000 0.425 47 V N 4.313 124.221 119.914 -0.010 0.000 2.614 47 V HA 0.141 4.261 4.120 -0.000 0.000 0.291 47 V C 0.854 176.953 176.094 0.008 0.000 1.049 47 V CA -0.580 61.720 62.300 0.000 0.000 1.038 47 V CB 1.357 33.185 31.823 0.008 0.000 0.980 47 V HN 0.986 nan 8.190 nan 0.000 0.481 48 S N 6.236 121.941 115.700 0.008 0.000 2.563 48 S HA 0.111 4.581 4.470 -0.000 0.000 0.294 48 S C -1.835 172.781 174.600 0.026 0.000 1.279 48 S CA -0.902 57.306 58.200 0.014 0.000 1.069 48 S CB -0.358 62.848 63.200 0.011 0.000 0.828 48 S HN 0.727 nan 8.310 nan 0.000 0.497 49 P HA 0.128 nan 4.420 nan 0.000 0.266 49 P C -0.638 176.694 177.300 0.053 0.000 1.193 49 P CA -0.095 63.039 63.100 0.056 0.000 0.770 49 P CB 0.214 31.951 31.700 0.062 0.000 0.836 50 T N 3.468 118.063 114.554 0.068 0.000 2.864 50 T HA 0.327 4.677 4.350 -0.000 0.000 0.310 50 T C 0.258 175.004 174.700 0.077 0.000 1.040 50 T CA -0.599 61.533 62.100 0.053 0.000 0.977 50 T CB 0.684 69.568 68.868 0.027 0.000 0.976 50 T HN 0.258 nan 8.240 nan 0.000 0.459 51 R N 1.461 122.004 120.500 0.071 0.000 2.500 51 R HA 0.671 5.011 4.340 -0.000 0.000 0.275 51 R C 0.285 176.632 176.300 0.079 0.000 1.051 51 R CA -0.738 55.420 56.100 0.096 0.000 1.088 51 R CB 0.924 31.273 30.300 0.081 0.000 1.063 51 R HN 0.524 nan 8.270 nan 0.000 0.511 52 V N -0.200 119.784 119.914 0.117 0.000 2.881 52 V HA 0.439 4.559 4.120 -0.000 0.000 0.316 52 V C -1.979 174.167 176.094 0.086 0.000 1.070 52 V CA -1.747 60.603 62.300 0.084 0.000 0.976 52 V CB 1.629 33.514 31.823 0.103 0.000 1.038 52 V HN 0.660 nan 8.190 nan 0.000 0.446 53 P HA -0.012 nan 4.420 nan 0.000 0.223 53 P C 0.322 177.668 177.300 0.076 0.000 1.151 53 P CA 0.725 63.859 63.100 0.056 0.000 0.787 53 P CB -0.061 31.661 31.700 0.036 0.000 0.788 54 N N 0.606 119.367 118.700 0.102 0.000 2.405 54 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 54 N C 1.006 176.623 175.510 0.178 0.000 1.152 54 N CA 0.104 53.245 53.050 0.152 0.000 0.948 54 N CB 0.773 39.379 38.487 0.198 0.000 1.111 54 N HN -0.102 nan 8.380 nan 0.000 0.485 55 A N 3.996 126.886 122.820 0.116 0.000 2.178 55 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 55 A C 1.297 178.899 177.584 0.030 0.000 1.157 55 A CA 0.899 52.978 52.037 0.070 0.000 0.689 55 A CB -0.076 18.949 19.000 0.040 0.000 0.787 55 A HN 0.676 nan 8.150 nan 0.000 0.465 56 N N -1.410 117.318 118.700 0.046 0.000 2.280 56 N HA 0.157 4.897 4.740 -0.000 0.000 0.192 56 N C -1.020 174.260 175.510 -0.383 0.000 1.109 56 N CA 0.386 53.338 53.050 -0.163 0.000 0.855 56 N CB 0.128 38.516 38.487 -0.165 0.000 0.974 56 N HN 0.569 nan 8.380 nan 0.000 0.482 57 Y N -0.235 120.075 120.300 0.016 0.000 2.512 57 Y HA 0.553 5.103 4.550 -0.000 0.000 0.348 57 Y C -0.584 175.282 175.900 -0.056 0.000 0.990 57 Y CA -1.145 56.923 58.100 -0.053 0.000 1.033 57 Y CB 2.078 40.490 38.460 -0.081 0.000 1.259 57 Y HN -0.232 nan 8.280 nan 0.000 0.461 58 L N 2.999 124.211 121.223 -0.019 0.000 2.436 58 L HA 0.647 4.987 4.340 -0.000 0.000 0.268 58 L C -2.054 174.761 176.870 -0.091 0.000 0.974 58 L CA -0.750 54.119 54.840 0.048 0.000 0.826 58 L CB 1.049 43.144 42.059 0.060 0.000 1.291 58 L HN 0.435 nan 8.230 nan 0.000 0.406 59 F N 4.760 124.778 119.950 0.113 0.000 2.411 59 F HA 0.597 5.124 4.527 -0.000 0.000 0.352 59 F C -0.065 175.786 175.800 0.085 0.000 1.123 59 F CA -0.722 57.338 58.000 0.100 0.000 1.044 59 F CB 1.746 40.801 39.000 0.092 0.000 1.135 59 F HN 0.085 nan 8.300 nan 0.000 0.461 60 V N 3.431 123.461 119.914 0.194 0.000 2.384 60 V HA 0.297 4.417 4.120 -0.000 0.000 0.287 60 V C -0.522 175.617 176.094 0.076 0.000 1.020 60 V CA -0.934 61.440 62.300 0.123 0.000 0.850 60 V CB 1.373 33.258 31.823 0.103 0.000 0.987 60 V HN 0.552 nan 8.190 nan 0.000 0.436 61 D N 5.223 125.662 120.400 0.064 0.000 2.274 61 D HA 0.547 5.187 4.640 -0.000 0.000 0.239 61 D C -0.589 175.711 176.300 0.000 0.000 1.104 61 D CA -0.224 53.798 54.000 0.036 0.000 0.840 61 D CB 2.425 43.254 40.800 0.048 0.000 1.100 61 D HN 0.179 nan 8.370 nan 0.000 0.477 62 L N 1.733 122.942 121.223 -0.023 0.000 2.333 62 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 62 L C 0.116 176.975 176.870 -0.018 0.000 1.010 62 L CA -0.788 54.031 54.840 -0.034 0.000 0.818 62 L CB 1.647 43.671 42.059 -0.057 0.000 1.306 62 L HN 0.237 nan 8.230 nan 0.000 0.430 63 E N 1.749 121.940 120.200 -0.016 0.000 2.182 63 E HA 0.501 4.851 4.350 -0.000 0.000 0.258 63 E C -1.351 175.257 176.600 0.014 0.000 0.879 63 E CA -0.134 56.261 56.400 -0.007 0.000 0.754 63 E CB 0.818 30.506 29.700 -0.020 0.000 1.162 63 E HN 0.441 nan 8.360 nan 0.000 0.419 64 I N 4.613 125.218 120.570 0.059 0.000 2.287 64 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 64 I C 0.952 177.128 176.117 0.097 0.000 1.069 64 I CA -0.641 60.726 61.300 0.111 0.000 1.237 64 I CB 1.175 39.309 38.000 0.224 0.000 1.418 64 I HN 0.574 nan 8.210 nan 0.000 0.481 65 G N 7.001 115.838 108.800 0.061 0.000 2.594 65 G HA2 0.171 4.131 3.960 -0.000 0.000 0.243 65 G HA3 0.171 4.131 3.960 -0.000 0.000 0.243 65 G C -1.247 173.694 174.900 0.068 0.000 1.229 65 G CA -0.866 44.260 45.100 0.045 0.000 0.843 65 G HN 0.446 nan 8.290 nan 0.000 0.578 66 P HA -0.115 nan 4.420 nan 0.000 0.225 66 P C 1.265 178.599 177.300 0.057 0.000 1.148 66 P CA 1.117 64.253 63.100 0.061 0.000 0.779 66 P CB 0.271 31.994 31.700 0.039 0.000 0.780 67 E N 0.416 120.639 120.200 0.038 0.000 2.435 67 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 67 E C 0.665 177.281 176.600 0.026 0.000 1.029 67 E CA -0.019 56.395 56.400 0.023 0.000 0.865 67 E CB -0.669 29.029 29.700 -0.003 0.000 0.833 67 E HN 0.036 nan 8.360 nan 0.000 0.510 68 A N 2.485 125.342 122.820 0.062 0.000 2.522 68 A HA 0.048 4.368 4.320 -0.000 0.000 0.256 68 A C 0.239 177.921 177.584 0.164 0.000 1.086 68 A CA -0.098 52.008 52.037 0.114 0.000 0.763 68 A CB 0.181 19.304 19.000 0.206 0.000 1.024 68 A HN 0.131 nan 8.150 nan 0.000 0.502 69 Q N 1.748 121.643 119.800 0.157 0.000 2.221 69 Q HA 0.392 4.732 4.340 -0.000 0.000 0.242 69 Q C -2.377 173.800 176.000 0.294 0.000 0.940 69 Q CA -2.026 53.884 55.803 0.178 0.000 0.896 69 Q CB 0.184 28.987 28.738 0.109 0.000 1.226 69 Q HN 0.476 nan 8.270 nan 0.000 0.463 70 P HA 0.282 nan 4.420 nan 0.000 0.268 70 P C -0.250 177.191 177.300 0.235 0.000 1.205 70 P CA 0.339 63.566 63.100 0.212 0.000 0.771 70 P CB 0.561 32.347 31.700 0.143 0.000 0.858 71 G N 0.655 109.577 108.800 0.204 0.000 2.367 71 G HA2 0.461 4.421 3.960 -0.000 0.000 0.272 71 G HA3 0.461 4.421 3.960 -0.000 0.000 0.272 71 G C -1.456 173.461 174.900 0.028 0.000 1.271 71 G CA -0.100 45.106 45.100 0.176 0.000 0.893 71 G HN 0.696 nan 8.290 nan 0.000 0.485 72 S N -1.149 114.535 115.700 -0.026 0.000 2.588 72 S HA 0.919 5.389 4.470 -0.000 0.000 0.275 72 S C -1.021 173.489 174.600 -0.151 0.000 1.130 72 S CA -0.476 57.607 58.200 -0.195 0.000 0.855 72 S CB 2.060 65.153 63.200 -0.179 0.000 1.116 72 S HN 2.035 nan 8.310 nan 0.000 0.472 73 F N -1.211 118.601 119.950 -0.230 0.000 2.619 73 F HA 0.675 5.202 4.527 -0.000 0.000 0.308 73 F C -1.247 174.551 175.800 -0.004 0.000 1.097 73 F CA -1.036 56.886 58.000 -0.130 0.000 0.953 73 F CB 0.850 39.707 39.000 -0.239 0.000 1.287 73 F HN 0.389 nan 8.300 nan 0.000 0.446 74 D N 3.168 123.667 120.400 0.165 0.000 2.308 74 D HA 0.373 5.013 4.640 -0.000 0.000 0.251 74 D C -0.060 176.350 176.300 0.184 0.000 1.127 74 D CA 0.195 54.261 54.000 0.110 0.000 0.876 74 D CB 2.087 42.936 40.800 0.081 0.000 1.176 74 D HN 0.508 nan 8.370 nan 0.000 0.446 75 I N 2.146 122.808 120.570 0.153 0.000 2.304 75 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 75 I C 0.292 176.324 176.117 -0.142 0.000 1.018 75 I CA -0.807 60.498 61.300 0.008 0.000 1.260 75 I CB 1.627 39.634 38.000 0.011 0.000 1.390 75 I HN -0.059 nan 8.210 nan 0.000 0.475 76 V N 8.024 127.793 119.914 -0.241 0.000 2.439 76 V HA 0.432 4.552 4.120 -0.000 0.000 0.282 76 V C -0.889 174.976 176.094 -0.383 0.000 1.039 76 V CA -0.243 61.960 62.300 -0.162 0.000 0.913 76 V CB 1.292 33.089 31.823 -0.043 0.000 0.983 76 V HN 0.451 nan 8.190 nan 0.000 0.460 77 F N 6.331 126.303 119.950 0.036 0.000 2.382 77 F HA 0.573 5.100 4.527 -0.000 0.000 0.361 77 F C 0.405 176.212 175.800 0.012 0.000 1.109 77 F CA -0.538 57.474 58.000 0.020 0.000 1.031 77 F CB 1.382 40.387 39.000 0.008 0.000 1.234 77 F HN 0.279 nan 8.300 nan 0.000 0.445 78 K N 2.340 122.818 120.400 0.130 0.000 2.270 78 K HA 0.873 5.193 4.320 -0.000 0.000 0.255 78 K C -0.199 176.445 176.600 0.074 0.000 0.936 78 K CA -0.959 55.377 56.287 0.081 0.000 0.809 78 K CB 2.368 34.892 32.500 0.040 0.000 1.131 78 K HN 0.836 nan 8.250 nan 0.000 0.427 79 G N 1.047 109.881 108.800 0.057 0.000 2.377 79 G HA2 0.134 4.094 3.960 -0.000 0.000 0.297 79 G HA3 0.134 4.094 3.960 -0.000 0.000 0.297 79 G C -1.083 173.835 174.900 0.030 0.000 1.547 79 G CA -0.790 44.336 45.100 0.043 0.000 0.833 79 G HN 0.639 nan 8.290 nan 0.000 0.583 80 D N -0.715 119.699 120.400 0.023 0.000 2.911 80 D HA -0.221 4.419 4.640 -0.000 0.000 0.227 80 D C 1.612 177.920 176.300 0.013 0.000 1.164 80 D CA 2.674 56.684 54.000 0.016 0.000 0.782 80 D CB -1.098 39.709 40.800 0.012 0.000 1.094 80 D HN 2.312 nan 8.370 nan 0.000 0.425 81 G N 0.255 109.065 108.800 0.016 0.000 2.162 81 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.260 81 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.260 81 G C 0.310 175.219 174.900 0.014 0.000 0.976 81 G CA 0.906 46.014 45.100 0.013 0.000 0.655 81 G HN 0.790 nan 8.290 nan 0.000 0.533 82 R N -1.402 119.109 120.500 0.019 0.000 2.892 82 R HA 0.842 5.182 4.340 -0.000 0.000 0.265 82 R C -0.867 175.455 176.300 0.037 0.000 1.025 82 R CA -0.328 55.784 56.100 0.021 0.000 0.982 82 R CB 1.922 32.229 30.300 0.012 0.000 1.185 82 R HN 0.435 nan 8.270 nan 0.000 0.484 83 S N 0.446 116.171 115.700 0.041 0.000 2.672 83 S HA 0.333 4.803 4.470 -0.000 0.000 0.291 83 S C -1.355 173.292 174.600 0.078 0.000 1.145 83 S CA -0.727 57.512 58.200 0.064 0.000 1.013 83 S CB 1.235 64.463 63.200 0.048 0.000 1.017 83 S HN 0.605 nan 8.310 nan 0.000 0.487 84 E N 3.195 123.477 120.200 0.138 0.000 2.227 84 E HA 0.554 4.904 4.350 -0.000 0.000 0.268 84 E C -0.549 176.215 176.600 0.274 0.000 0.907 84 E CA -0.842 55.651 56.400 0.154 0.000 0.786 84 E CB 1.553 31.309 29.700 0.094 0.000 1.191 84 E HN 0.580 nan 8.360 nan 0.000 0.411 85 R N 1.439 122.073 120.500 0.222 0.000 2.803 85 R HA 0.524 4.864 4.340 -0.000 0.000 0.276 85 R C -1.031 175.456 176.300 0.312 0.000 0.978 85 R CA -0.966 55.282 56.100 0.247 0.000 0.939 85 R CB 2.003 32.371 30.300 0.114 0.000 1.179 85 R HN 0.575 nan 8.270 nan 0.000 0.472 86 Y N 0.759 121.179 120.300 0.201 0.000 2.361 86 Y HA 0.281 4.831 4.550 -0.000 0.000 0.328 86 Y C -0.630 175.303 175.900 0.055 0.000 1.044 86 Y CA -0.841 57.338 58.100 0.131 0.000 1.085 86 Y CB 1.563 40.155 38.460 0.219 0.000 1.194 86 Y HN 0.523 nan 8.280 nan 0.000 0.438 87 R N 5.599 125.925 120.500 -0.289 0.000 2.272 87 R HA 0.210 4.550 4.340 -0.000 0.000 0.334 87 R C -1.676 174.436 176.300 -0.314 0.000 1.117 87 R CA -0.130 55.818 56.100 -0.252 0.000 0.966 87 R CB 0.019 30.163 30.300 -0.261 0.000 1.049 87 R HN 0.725 nan 8.270 nan 0.000 0.477 88 Y N 3.499 123.579 120.300 -0.366 0.000 2.316 88 Y HA 0.238 4.788 4.550 -0.000 0.000 0.331 88 Y C 0.013 175.555 175.900 -0.597 0.000 1.083 88 Y CA -0.173 57.674 58.100 -0.421 0.000 1.206 88 Y CB 0.754 38.824 38.460 -0.650 0.000 1.195 88 Y HN 0.450 nan 8.280 nan 0.000 0.497 89 R N 5.328 125.502 120.500 -0.544 0.000 2.445 89 R HA 0.457 4.797 4.340 -0.000 0.000 0.308 89 R C -1.995 174.245 176.300 -0.101 0.000 0.961 89 R CA -0.885 55.028 56.100 -0.310 0.000 0.862 89 R CB 0.746 30.845 30.300 -0.335 0.000 1.144 89 R HN 0.552 nan 8.270 nan 0.000 0.447 90 L N 5.449 126.689 121.223 0.028 0.000 2.280 90 L HA 0.366 4.706 4.340 -0.000 0.000 0.287 90 L C -0.799 176.083 176.870 0.020 0.000 1.023 90 L CA -0.630 54.295 54.840 0.143 0.000 0.819 90 L CB 1.269 43.520 42.059 0.320 0.000 1.212 90 L HN 0.520 nan 8.230 nan 0.000 0.420 91 L N 2.903 124.044 121.223 -0.138 0.000 2.399 91 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 91 L C 0.680 177.638 176.870 0.147 0.000 1.114 91 L CA -0.183 54.596 54.840 -0.101 0.000 0.804 91 L CB 0.808 42.673 42.059 -0.323 0.000 1.146 91 L HN 0.690 nan 8.230 nan 0.000 0.451 92 A N 3.269 126.184 122.820 0.158 0.000 2.450 92 A HA 0.378 4.698 4.320 -0.000 0.000 0.255 92 A C 0.381 178.130 177.584 0.274 0.000 1.096 92 A CA -0.402 51.752 52.037 0.194 0.000 0.778 92 A CB -0.043 19.031 19.000 0.123 0.000 1.031 92 A HN 0.633 nan 8.150 nan 0.000 0.494 93 R N 1.812 122.461 120.500 0.248 0.000 2.539 93 R HA 0.160 4.500 4.340 -0.000 0.000 0.275 93 R C -0.180 176.172 176.300 0.086 0.000 1.077 93 R CA -0.462 55.733 56.100 0.157 0.000 1.097 93 R CB 0.570 30.902 30.300 0.054 0.000 1.018 93 R HN 0.732 nan 8.270 nan 0.000 0.483 94 E N 2.298 122.525 120.200 0.045 0.000 2.415 94 E HA -0.057 4.293 4.350 -0.000 0.000 0.262 94 E C 0.131 176.740 176.600 0.015 0.000 1.038 94 E CA 0.031 56.446 56.400 0.026 0.000 0.921 94 E CB 0.517 30.219 29.700 0.003 0.000 0.950 94 E HN 0.233 nan 8.360 nan 0.000 0.438 95 Q N 0.194 120.003 119.800 0.015 0.000 2.263 95 Q HA 0.057 4.397 4.340 -0.000 0.000 0.289 95 Q C 0.868 176.870 176.000 0.002 0.000 1.061 95 Q CA 1.199 57.008 55.803 0.010 0.000 0.927 95 Q CB 0.565 29.308 28.738 0.009 0.000 1.154 95 Q HN 0.877 nan 8.270 nan 0.000 0.378 96 G N 2.537 111.339 108.800 0.003 0.000 2.159 96 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.256 96 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.256 96 G C 1.000 175.903 174.900 0.005 0.000 0.977 96 G CA 0.770 45.870 45.100 0.001 0.000 0.652 96 G HN 0.609 nan 8.290 nan 0.000 0.531 97 S N 0.146 115.848 115.700 0.004 0.000 2.353 97 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 97 S C 2.843 177.495 174.600 0.085 0.000 1.035 97 S CA 2.259 60.468 58.200 0.015 0.000 1.025 97 S CB -0.401 62.785 63.200 -0.024 0.000 0.902 97 S HN 1.702 nan 8.310 nan 0.000 0.440 98 A N 0.520 123.364 122.820 0.040 0.000 1.972 98 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 98 A C 2.079 179.711 177.584 0.081 0.000 1.169 98 A CA 1.238 53.292 52.037 0.028 0.000 0.635 98 A CB -0.441 18.515 19.000 -0.073 0.000 0.810 98 A HN 0.577 nan 8.150 nan 0.000 0.446 99 Q N 0.212 120.038 119.800 0.044 0.000 2.320 99 Q HA 0.005 4.345 4.340 -0.000 0.000 0.201 99 Q C 0.014 176.030 176.000 0.026 0.000 0.910 99 Q CA -0.067 55.753 55.803 0.028 0.000 0.946 99 Q CB -0.121 28.620 28.738 0.006 0.000 1.062 99 Q HN 0.796 nan 8.270 nan 0.000 0.503 100 R N 0.845 121.368 120.500 0.039 0.000 2.538 100 R HA -0.069 4.271 4.340 -0.000 0.000 0.273 100 R C 0.016 176.307 176.300 -0.016 0.000 0.967 100 R CA 0.146 56.245 56.100 -0.002 0.000 1.101 100 R CB -0.038 30.240 30.300 -0.036 0.000 0.908 100 R HN -0.155 nan 8.270 nan 0.000 0.411 101 Q N 2.354 122.138 119.800 -0.026 0.000 2.296 101 Q HA 0.243 4.583 4.340 -0.000 0.000 0.263 101 Q C -0.137 175.835 176.000 -0.047 0.000 1.026 101 Q CA 0.431 56.212 55.803 -0.036 0.000 0.912 101 Q CB 1.104 29.823 28.738 -0.030 0.000 1.198 101 Q HN 0.768 nan 8.270 nan 0.000 0.407 102 G N 3.323 112.072 108.800 -0.086 0.000 2.636 102 G HA2 0.293 4.253 3.960 -0.000 0.000 0.246 102 G HA3 0.293 4.253 3.960 -0.000 0.000 0.246 102 G C -0.508 174.321 174.900 -0.118 0.000 1.216 102 G CA -0.553 44.463 45.100 -0.140 0.000 0.854 102 G HN 0.741 nan 8.290 nan 0.000 0.572 103 F N -0.130 119.793 119.950 -0.044 0.000 2.553 103 F HA 0.571 5.098 4.527 -0.000 0.000 0.356 103 F C 0.622 176.394 175.800 -0.047 0.000 1.142 103 F CA -0.424 57.552 58.000 -0.040 0.000 1.322 103 F CB 0.413 39.399 39.000 -0.023 0.000 1.126 103 F HN 0.636 nan 8.300 nan 0.000 0.599 104 G N 1.595 110.447 108.800 0.086 0.000 2.782 104 G HA2 0.491 4.451 3.960 -0.000 0.000 0.304 104 G HA3 0.491 4.451 3.960 -0.000 0.000 0.304 104 G C -2.748 172.153 174.900 0.003 0.000 1.315 104 G CA -1.248 43.845 45.100 -0.013 0.000 0.791 104 G HN 0.277 nan 8.290 nan 0.000 0.519 105 P HA -0.008 nan 4.420 nan 0.000 0.218 105 P C 1.772 178.951 177.300 -0.201 0.000 1.146 105 P CA 1.713 64.778 63.100 -0.058 0.000 0.813 105 P CB 0.144 31.826 31.700 -0.029 0.000 0.778 106 G N -1.568 107.004 108.800 -0.380 0.000 2.744 106 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.211 106 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.211 106 G C 0.425 175.060 174.900 -0.441 0.000 1.143 106 G CA 0.121 44.690 45.100 -0.886 0.000 0.788 106 G HN 0.223 nan 8.290 nan 0.000 0.534 107 D N 0.004 120.301 120.400 -0.172 0.000 2.340 107 D HA 0.579 5.219 4.640 -0.000 0.000 0.251 107 D C -0.277 176.032 176.300 0.014 0.000 1.080 107 D CA 0.030 54.007 54.000 -0.039 0.000 0.971 107 D CB 1.945 42.786 40.800 0.068 0.000 1.137 107 D HN 0.104 nan 8.370 nan 0.000 0.475 108 A N 1.243 124.111 122.820 0.079 0.000 2.398 108 A HA 0.573 4.893 4.320 -0.000 0.000 0.301 108 A C -0.708 177.125 177.584 0.414 0.000 1.041 108 A CA -0.621 51.540 52.037 0.207 0.000 0.711 108 A CB 0.805 19.840 19.000 0.058 0.000 1.240 108 A HN 0.461 nan 8.150 nan 0.000 0.420 109 I N 1.988 122.801 120.570 0.405 0.000 2.359 109 I HA 0.263 4.433 4.170 -0.000 0.000 0.294 109 I C -0.814 175.464 176.117 0.268 0.000 0.987 109 I CA -0.524 60.944 61.300 0.281 0.000 1.225 109 I CB 1.305 39.373 38.000 0.114 0.000 1.366 109 I HN 0.723 nan 8.210 nan 0.000 0.466 110 Y N 6.371 126.611 120.300 -0.100 0.000 2.328 110 Y HA 0.301 4.851 4.550 -0.000 0.000 0.337 110 Y C -0.071 175.700 175.900 -0.214 0.000 1.008 110 Y CA -0.227 57.625 58.100 -0.413 0.000 1.129 110 Y CB 1.009 39.066 38.460 -0.671 0.000 1.185 110 Y HN 0.509 nan 8.280 nan 0.000 0.476 111 Q N 7.678 127.191 119.800 -0.479 0.000 2.271 111 Q HA 0.599 4.939 4.340 -0.000 0.000 0.258 111 Q C -1.236 174.374 176.000 -0.650 0.000 0.936 111 Q CA -0.816 54.657 55.803 -0.549 0.000 0.909 111 Q CB 1.210 29.572 28.738 -0.626 0.000 1.253 111 Q HN 0.860 nan 8.270 nan 0.000 0.440 112 I N -0.143 120.069 120.570 -0.596 0.000 2.934 112 I HA 0.520 4.690 4.170 -0.000 0.000 0.306 112 I C -1.003 174.909 176.117 -0.341 0.000 1.110 112 I CA -1.325 59.698 61.300 -0.462 0.000 1.019 112 I CB 2.422 40.091 38.000 -0.552 0.000 1.227 112 I HN 0.532 nan 8.210 nan 0.000 0.434 113 M N 4.392 123.925 119.600 -0.112 0.000 2.088 113 M HA 0.336 4.816 4.480 -0.000 0.000 0.346 113 M C -1.771 174.568 176.300 0.066 0.000 1.111 113 M CA -1.605 53.679 55.300 -0.025 0.000 1.017 113 M CB 1.610 34.305 32.600 0.159 0.000 1.568 113 M HN 0.447 nan 8.290 nan 0.000 0.445 114 P HA -0.210 nan 4.420 nan 0.000 0.216 114 P C 0.703 178.157 177.300 0.257 0.000 1.150 114 P CA 1.646 64.730 63.100 -0.027 0.000 0.843 114 P CB 0.113 31.504 31.700 -0.515 0.000 0.787 115 D N -0.901 119.744 120.400 0.408 0.000 2.264 115 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 115 D C 1.552 178.180 176.300 0.547 0.000 0.966 115 D CA 0.824 55.155 54.000 0.551 0.000 0.864 115 D CB 0.014 41.135 40.800 0.534 0.000 0.933 115 D HN -0.090 nan 8.370 nan 0.000 0.499 116 R N -0.926 119.875 120.500 0.502 0.000 2.437 116 R HA 0.129 4.469 4.340 -0.000 0.000 0.257 116 R C 0.870 177.603 176.300 0.722 0.000 0.927 116 R CA -0.155 56.288 56.100 0.572 0.000 1.078 116 R CB -0.358 30.149 30.300 0.345 0.000 1.161 116 R HN 0.252 nan 8.270 nan 0.000 0.529 117 F N 0.815 121.003 119.950 0.396 0.000 2.287 117 F HA 0.491 5.018 4.527 -0.000 0.000 0.276 117 F C -0.100 175.852 175.800 0.252 0.000 1.047 117 F CA -0.035 58.132 58.000 0.280 0.000 1.194 117 F CB 0.190 39.248 39.000 0.097 0.000 1.118 117 F HN -0.123 nan 8.300 nan 0.000 0.556 118 A N 0.822 123.546 122.820 -0.159 0.000 2.437 118 A HA 0.424 4.744 4.320 -0.000 0.000 0.293 118 A C -1.460 175.812 177.584 -0.519 0.000 1.038 118 A CA -0.613 51.140 52.037 -0.474 0.000 0.708 118 A CB 0.340 19.084 19.000 -0.426 0.000 1.251 118 A HN 0.240 nan 8.150 nan 0.000 0.409 119 N N 2.270 120.390 118.700 -0.967 0.000 2.719 119 N HA 0.270 5.010 4.740 -0.000 0.000 0.243 119 N C 1.163 176.439 175.510 -0.390 0.000 1.104 119 N CA 0.477 53.092 53.050 -0.725 0.000 0.981 119 N CB 0.870 38.654 38.487 -1.172 0.000 1.290 119 N HN 0.725 nan 8.380 nan 0.000 0.513 120 G N 1.081 109.751 108.800 -0.215 0.000 2.511 120 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 120 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 120 G C 0.086 174.928 174.900 -0.097 0.000 1.133 120 G CA 0.184 45.200 45.100 -0.140 0.000 0.792 120 G HN 0.556 nan 8.290 nan 0.000 0.539 121 D N -1.150 119.202 120.400 -0.081 0.000 2.330 121 D HA 0.338 4.978 4.640 -0.000 0.000 0.249 121 D C -2.039 174.242 176.300 -0.033 0.000 1.306 121 D CA -1.938 52.037 54.000 -0.042 0.000 0.956 121 D CB 1.786 42.576 40.800 -0.016 0.000 1.261 121 D HN -0.126 nan 8.370 nan 0.000 0.544 122 P HA -0.119 nan 4.420 nan 0.000 0.221 122 P C 1.337 178.645 177.300 0.014 0.000 1.145 122 P CA 0.922 64.023 63.100 0.001 0.000 0.795 122 P CB 0.213 31.921 31.700 0.014 0.000 0.775 123 S N 0.151 115.855 115.700 0.006 0.000 2.447 123 S HA -0.137 4.332 4.470 -0.000 0.000 0.233 123 S C 1.512 176.117 174.600 0.007 0.000 1.006 123 S CA 1.181 59.385 58.200 0.007 0.000 0.957 123 S CB -1.336 61.866 63.200 0.004 0.000 0.773 123 S HN 0.218 nan 8.310 nan 0.000 0.507 124 N N 0.906 119.611 118.700 0.008 0.000 2.270 124 N HA 0.099 4.839 4.740 -0.000 0.000 0.198 124 N C 0.244 175.752 175.510 -0.004 0.000 1.117 124 N CA 0.319 53.371 53.050 0.003 0.000 0.845 124 N CB -0.371 38.123 38.487 0.011 0.000 0.980 124 N HN 0.165 nan 8.380 nan 0.000 0.486 125 D N 0.343 120.751 120.400 0.014 0.000 2.123 125 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 125 D C -0.142 176.159 176.300 0.002 0.000 0.992 125 D CA 1.225 55.242 54.000 0.028 0.000 0.833 125 D CB -0.079 40.762 40.800 0.069 0.000 0.954 125 D HN 0.325 nan 8.370 nan 0.000 0.455 126 N N -0.210 118.488 118.700 -0.003 0.000 2.314 126 N HA 0.356 5.096 4.740 -0.000 0.000 0.304 126 N C -1.050 174.448 175.510 -0.021 0.000 1.073 126 N CA -0.418 52.621 53.050 -0.017 0.000 0.822 126 N CB 2.960 41.440 38.487 -0.011 0.000 1.280 126 N HN -0.236 nan 8.380 nan 0.000 0.489 127 V N 1.054 120.950 119.914 -0.030 0.000 2.487 127 V HA 0.467 4.587 4.120 -0.000 0.000 0.298 127 V C 0.197 176.275 176.094 -0.026 0.000 1.028 127 V CA -1.136 61.149 62.300 -0.025 0.000 0.860 127 V CB 1.435 33.240 31.823 -0.029 0.000 0.991 127 V HN 0.814 nan 8.190 nan 0.000 0.427 128 A N 3.616 126.425 122.820 -0.019 0.000 2.566 128 A HA 0.511 4.831 4.320 -0.000 0.000 0.245 128 A C 1.504 179.074 177.584 -0.023 0.000 1.056 128 A CA 1.051 53.077 52.037 -0.019 0.000 0.757 128 A CB -0.441 18.550 19.000 -0.014 0.000 0.979 128 A HN 2.181 nan 8.150 nan 0.000 0.508 129 G N 1.491 110.275 108.800 -0.026 0.000 2.284 129 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 129 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 129 G C 0.379 175.255 174.900 -0.039 0.000 1.009 129 G CA 0.163 45.246 45.100 -0.029 0.000 0.625 129 G HN 0.729 nan 8.290 nan 0.000 0.501 130 M N 0.333 119.906 119.600 -0.045 0.000 2.228 130 M HA 0.399 4.879 4.480 -0.000 0.000 0.326 130 M C 1.659 177.913 176.300 -0.075 0.000 1.122 130 M CA -0.154 55.108 55.300 -0.063 0.000 1.161 130 M CB 0.721 33.282 32.600 -0.066 0.000 1.437 130 M HN 0.137 nan 8.290 nan 0.000 0.465 131 R N 0.265 120.702 120.500 -0.105 0.000 2.240 131 R HA 0.066 4.405 4.340 -0.000 0.000 0.203 131 R C 0.175 176.410 176.300 -0.109 0.000 1.011 131 R CA 0.570 56.595 56.100 -0.125 0.000 1.007 131 R CB 0.273 30.443 30.300 -0.216 0.000 0.911 131 R HN 0.615 nan 8.270 nan 0.000 0.468 132 E N 0.772 120.912 120.200 -0.099 0.000 2.199 132 E HA 0.112 4.462 4.350 -0.000 0.000 0.269 132 E C -0.899 175.658 176.600 -0.071 0.000 0.899 132 E CA -0.647 55.698 56.400 -0.092 0.000 0.772 132 E CB 1.225 30.865 29.700 -0.099 0.000 1.155 132 E HN -0.155 nan 8.360 nan 0.000 0.408 133 Q N 1.484 121.244 119.800 -0.066 0.000 2.243 133 Q HA 0.406 4.745 4.340 -0.000 0.000 0.252 133 Q C -0.512 175.465 176.000 -0.038 0.000 0.909 133 Q CA -0.420 55.356 55.803 -0.045 0.000 0.922 133 Q CB 1.689 30.404 28.738 -0.039 0.000 1.215 133 Q HN 0.631 nan 8.270 nan 0.000 0.427 134 A N 2.356 125.170 122.820 -0.010 0.000 2.483 134 A HA 0.206 4.526 4.320 -0.000 0.000 0.238 134 A C -0.131 177.463 177.584 0.016 0.000 1.070 134 A CA 0.182 52.233 52.037 0.023 0.000 0.770 134 A CB 0.186 19.222 19.000 0.059 0.000 1.008 134 A HN 0.626 nan 8.150 nan 0.000 0.497 135 D N 0.528 120.950 120.400 0.037 0.000 2.319 135 D HA 0.158 4.798 4.640 -0.000 0.000 0.237 135 D C 0.724 177.016 176.300 -0.014 0.000 1.353 135 D CA -0.459 53.548 54.000 0.012 0.000 0.992 135 D CB 0.625 41.432 40.800 0.011 0.000 1.368 135 D HN 0.562 nan 8.370 nan 0.000 0.564 136 R N 2.404 122.811 120.500 -0.156 0.000 2.152 136 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 136 R C 1.787 177.702 176.300 -0.642 0.000 1.117 136 R CA 1.058 56.820 56.100 -0.564 0.000 0.981 136 R CB 0.245 30.271 30.300 -0.456 0.000 0.870 136 R HN 0.219 nan 8.270 nan 0.000 0.451 137 R N -0.645 119.693 120.500 -0.269 0.000 2.275 137 R HA -0.037 4.303 4.340 -0.000 0.000 0.199 137 R C 0.033 176.288 176.300 -0.075 0.000 0.989 137 R CA 0.166 56.157 56.100 -0.181 0.000 1.016 137 R CB 0.038 30.267 30.300 -0.118 0.000 0.918 137 R HN 0.161 nan 8.270 nan 0.000 0.473 138 H N -0.747 118.278 119.070 -0.076 0.000 2.604 138 H HA 0.116 4.672 4.556 -0.000 0.000 0.306 138 H C 0.673 176.044 175.328 0.071 0.000 1.075 138 H CA 0.414 56.455 56.048 -0.011 0.000 1.357 138 H CB 1.741 31.484 29.762 -0.031 0.000 1.426 138 H HN 0.300 nan 8.280 nan 0.000 0.470 139 G N 2.869 111.694 108.800 0.041 0.000 2.462 139 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 139 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 139 G C 1.272 176.227 174.900 0.091 0.000 1.121 139 G CA 0.623 45.770 45.100 0.078 0.000 0.758 139 G HN 0.657 nan 8.290 nan 0.000 0.559 140 G N -0.274 108.772 108.800 0.410 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 0.635 175.499 174.900 -0.060 0.000 1.097 140 G CA 0.432 45.717 45.100 0.308 0.000 0.780 140 G HN 0.587 nan 8.290 nan 0.000 0.540 141 G N -0.127 108.620 108.800 -0.088 0.000 2.535 141 G HA2 0.514 4.474 3.960 -0.000 0.000 0.303 141 G HA3 0.514 4.474 3.960 -0.000 0.000 0.303 141 G C -0.303 174.543 174.900 -0.090 0.000 1.237 141 G CA -0.969 44.050 45.100 -0.134 0.000 0.986 141 G HN 0.236 nan 8.290 nan 0.000 0.494 142 R N -0.584 119.945 120.500 0.048 0.000 2.298 142 R HA 0.244 4.584 4.340 -0.000 0.000 0.310 142 R C 0.281 176.758 176.300 0.294 0.000 1.068 142 R CA -0.209 55.968 56.100 0.129 0.000 0.957 142 R CB 0.847 31.198 30.300 0.086 0.000 1.003 142 R HN 0.743 nan 8.270 nan 0.000 0.454 143 H N 0.788 119.940 119.070 0.138 0.000 2.654 143 H HA 0.128 4.684 4.556 -0.000 0.000 0.264 143 H C 1.081 176.716 175.328 0.511 0.000 0.954 143 H CA 0.254 56.427 56.048 0.208 0.000 1.199 143 H CB 0.997 30.807 29.762 0.080 0.000 1.446 143 H HN 1.002 nan 8.280 nan 0.000 0.516 144 G N 0.806 109.932 108.800 0.544 0.000 2.175 144 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.182 144 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.182 144 G C 0.671 175.709 174.900 0.231 0.000 1.003 144 G CA -0.241 45.073 45.100 0.358 0.000 0.666 144 G HN 0.598 nan 8.290 nan 0.000 0.506 145 G N 0.373 109.384 108.800 0.352 0.000 2.554 145 G HA2 0.554 4.514 3.960 -0.000 0.000 0.238 145 G HA3 0.554 4.514 3.960 -0.000 0.000 0.238 145 G C -0.011 175.060 174.900 0.285 0.000 1.259 145 G CA 1.025 46.223 45.100 0.164 0.000 0.843 145 G HN 1.084 nan 8.290 nan 0.000 0.582 146 D N -0.561 119.952 120.400 0.189 0.000 2.677 146 D HA 0.199 4.839 4.640 -0.000 0.000 0.298 146 D C 1.012 177.413 176.300 0.168 0.000 1.250 146 D CA -0.887 53.277 54.000 0.273 0.000 0.888 146 D CB 0.385 41.289 40.800 0.173 0.000 1.397 146 D HN 0.200 nan 8.370 nan 0.000 0.461 147 I N -0.894 119.780 120.570 0.174 0.000 2.226 147 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 147 I C 2.382 178.540 176.117 0.068 0.000 1.100 147 I CA 0.955 62.326 61.300 0.119 0.000 1.374 147 I CB -0.235 37.855 38.000 0.151 0.000 1.057 147 I HN 0.339 nan 8.210 nan 0.000 0.413 148 R N 1.739 122.267 120.500 0.048 0.000 2.096 148 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 148 R C 2.134 178.407 176.300 -0.045 0.000 1.139 148 R CA 2.057 58.153 56.100 -0.006 0.000 0.952 148 R CB -1.440 28.851 30.300 -0.016 0.000 0.854 148 R HN 0.375 nan 8.270 nan 0.000 0.436 149 G N -1.225 107.553 108.800 -0.037 0.000 2.421 149 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 149 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 149 G C 1.409 176.323 174.900 0.023 0.000 1.171 149 G CA 1.276 46.336 45.100 -0.066 0.000 0.775 149 G HN 0.437 nan 8.290 nan 0.000 0.543 150 T N 1.526 116.163 114.554 0.138 0.000 2.635 150 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 150 T C 2.382 177.157 174.700 0.125 0.000 1.040 150 T CA 1.278 63.541 62.100 0.272 0.000 1.156 150 T CB -0.253 68.745 68.868 0.215 0.000 0.863 150 T HN 0.249 nan 8.240 nan 0.000 0.430 151 I N 1.319 121.901 120.570 0.021 0.000 2.194 151 I HA -0.222 3.948 4.170 -0.000 0.000 0.246 151 I C 2.295 178.337 176.117 -0.126 0.000 1.093 151 I CA 1.266 62.541 61.300 -0.042 0.000 1.355 151 I CB -0.471 37.500 38.000 -0.048 0.000 1.046 151 I HN 0.158 nan 8.210 nan 0.000 0.413 152 D N -0.106 120.153 120.400 -0.235 0.000 2.182 152 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 152 D C 1.590 177.453 176.300 -0.728 0.000 0.986 152 D CA 1.375 55.069 54.000 -0.510 0.000 0.847 152 D CB -0.183 40.189 40.800 -0.715 0.000 0.942 152 D HN 0.485 nan 8.370 nan 0.000 0.467 153 H N -0.761 118.181 119.070 -0.213 0.000 2.581 153 H HA 0.232 4.788 4.556 -0.000 0.000 0.275 153 H C 1.914 177.259 175.328 0.029 0.000 1.126 153 H CA -0.146 55.758 56.048 -0.239 0.000 1.097 153 H CB 0.493 29.845 29.762 -0.684 0.000 1.626 153 H HN 0.110 nan 8.280 nan 0.000 0.565 154 L N 0.265 121.525 121.223 0.062 0.000 2.079 154 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 154 L C 1.964 178.861 176.870 0.046 0.000 1.081 154 L CA 1.250 56.120 54.840 0.049 0.000 0.752 154 L CB -0.146 41.913 42.059 -0.001 0.000 0.896 154 L HN 0.101 nan 8.230 nan 0.000 0.433 155 D N -0.811 119.611 120.400 0.037 0.000 2.123 155 D HA -0.257 4.383 4.640 -0.000 0.000 0.196 155 D C 1.878 178.241 176.300 0.104 0.000 0.992 155 D CA 1.416 55.446 54.000 0.050 0.000 0.833 155 D CB -0.241 40.581 40.800 0.036 0.000 0.954 155 D HN 0.367 nan 8.370 nan 0.000 0.455 156 Y N 1.354 121.691 120.300 0.061 0.000 2.145 156 Y HA -0.165 4.385 4.550 -0.000 0.000 0.286 156 Y C 2.207 178.147 175.900 0.067 0.000 1.145 156 Y CA 1.331 59.512 58.100 0.134 0.000 1.148 156 Y CB -0.433 38.198 38.460 0.286 0.000 0.981 156 Y HN -0.094 nan 8.280 nan 0.000 0.507 157 I N 0.421 120.950 120.570 -0.067 0.000 2.179 157 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 157 I C 2.708 178.737 176.117 -0.146 0.000 1.088 157 I CA 1.403 62.502 61.300 -0.334 0.000 1.357 157 I CB -0.895 36.895 38.000 -0.350 0.000 1.051 157 I HN 0.339 nan 8.210 nan 0.000 0.409 158 A N 0.992 123.777 122.820 -0.058 0.000 1.933 158 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 158 A C 2.437 179.995 177.584 -0.044 0.000 1.175 158 A CA 1.779 53.803 52.037 -0.021 0.000 0.628 158 A CB -1.407 17.587 19.000 -0.010 0.000 0.814 158 A HN 0.479 nan 8.150 nan 0.000 0.444 159 G N -0.271 108.492 108.800 -0.062 0.000 2.432 159 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 159 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 159 G C 1.419 176.262 174.900 -0.096 0.000 1.135 159 G CA 0.919 45.984 45.100 -0.058 0.000 0.767 159 G HN 0.452 nan 8.290 nan 0.000 0.550 160 L N 0.028 121.155 121.223 -0.161 0.000 2.465 160 L HA 0.171 4.511 4.340 -0.000 0.000 0.224 160 L C 2.109 178.853 176.870 -0.210 0.000 1.145 160 L CA 0.701 55.461 54.840 -0.133 0.000 0.834 160 L CB -0.031 42.001 42.059 -0.046 0.000 0.944 160 L HN 0.434 nan 8.230 nan 0.000 0.451 161 G N -1.095 107.587 108.800 -0.197 0.000 2.148 161 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.203 161 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.203 161 G C 0.021 174.672 174.900 -0.416 0.000 0.993 161 G CA -0.660 44.267 45.100 -0.288 0.000 0.661 161 G HN 0.110 nan 8.290 nan 0.000 0.518 162 F N 1.097 121.005 119.950 -0.069 0.000 2.375 162 F HA 0.549 5.076 4.527 -0.000 0.000 0.333 162 F C 1.688 177.473 175.800 -0.025 0.000 1.104 162 F CA 0.668 58.653 58.000 -0.024 0.000 1.149 162 F CB 1.747 40.748 39.000 0.003 0.000 1.190 162 F HN 0.083 nan 8.300 nan 0.000 0.533 163 T N -2.029 112.628 114.554 0.172 0.000 3.043 163 T HA 0.293 4.643 4.350 -0.000 0.000 0.272 163 T C -0.009 174.743 174.700 0.087 0.000 0.990 163 T CA -0.209 61.941 62.100 0.083 0.000 0.897 163 T CB 0.086 68.971 68.868 0.028 0.000 1.111 163 T HN 0.437 nan 8.240 nan 0.000 0.529 164 Q N 0.767 120.644 119.800 0.128 0.000 2.340 164 Q HA 0.560 4.900 4.340 -0.000 0.000 0.276 164 Q C -2.020 174.036 176.000 0.093 0.000 1.048 164 Q CA -0.732 55.116 55.803 0.075 0.000 0.832 164 Q CB 3.011 31.760 28.738 0.019 0.000 1.373 164 Q HN 0.307 nan 8.270 nan 0.000 0.409 165 L N 2.446 123.702 121.223 0.054 0.000 2.325 165 L HA 0.623 4.963 4.340 -0.000 0.000 0.281 165 L C -1.704 175.224 176.870 0.096 0.000 1.004 165 L CA -0.285 54.591 54.840 0.060 0.000 0.823 165 L CB 1.107 43.173 42.059 0.012 0.000 1.236 165 L HN 0.699 nan 8.230 nan 0.000 0.415 166 W N 9.779 131.017 121.300 -0.104 0.000 2.338 166 W HA 0.657 5.317 4.660 -0.000 0.000 0.315 166 W C -2.756 173.690 176.519 -0.122 0.000 1.005 166 W CA -2.939 54.331 57.345 -0.124 0.000 1.380 166 W CB 0.854 30.216 29.460 -0.163 0.000 1.235 166 W HN 0.394 nan 8.180 nan 0.000 0.409 167 P HA 0.227 nan 4.420 nan 0.000 0.288 167 P C 0.298 177.476 177.300 -0.203 0.000 1.267 167 P CA -0.021 62.932 63.100 -0.245 0.000 0.815 167 P CB 1.370 33.003 31.700 -0.112 0.000 0.989 168 T N 0.729 115.055 114.554 -0.379 0.000 2.795 168 T HA 0.204 4.554 4.350 -0.000 0.000 0.314 168 T C -2.284 172.247 174.700 -0.281 0.000 1.069 168 T CA -1.454 60.495 62.100 -0.252 0.000 1.071 168 T CB -1.180 67.480 68.868 -0.346 0.000 0.988 168 T HN 0.224 nan 8.240 nan 0.000 0.543 169 P HA 0.156 nan 4.420 nan 0.000 0.264 169 P C -0.006 177.107 177.300 -0.312 0.000 1.193 169 P CA -0.114 62.778 63.100 -0.347 0.000 0.763 169 P CB 0.248 31.707 31.700 -0.401 0.000 0.810 170 L N 3.370 124.386 121.223 -0.345 0.000 2.616 170 L HA 0.109 4.449 4.340 -0.000 0.000 0.229 170 L C 1.004 177.834 176.870 -0.067 0.000 1.110 170 L CA 0.261 54.931 54.840 -0.284 0.000 0.884 170 L CB 0.086 41.896 42.059 -0.414 0.000 1.115 170 L HN 0.192 nan 8.230 nan 0.000 0.481 171 V N 0.951 120.759 119.914 -0.176 0.000 2.872 171 V HA -0.072 4.048 4.120 -0.000 0.000 0.307 171 V C 0.888 176.984 176.094 0.003 0.000 1.072 171 V CA -0.230 62.031 62.300 -0.066 0.000 1.148 171 V CB 0.778 32.568 31.823 -0.054 0.000 0.954 171 V HN 0.357 nan 8.190 nan 0.000 0.490 172 E N 5.193 125.412 120.200 0.031 0.000 2.652 172 E HA -0.085 4.265 4.350 -0.000 0.000 0.255 172 E C -0.186 176.382 176.600 -0.054 0.000 0.952 172 E CA 0.474 56.872 56.400 -0.003 0.000 0.947 172 E CB 0.096 29.796 29.700 0.001 0.000 0.912 172 E HN 0.748 nan 8.360 nan 0.000 0.489 173 N N 4.811 123.476 118.700 -0.058 0.000 2.804 173 N HA 0.028 4.768 4.740 -0.000 0.000 0.251 173 N C -1.361 174.106 175.510 -0.072 0.000 1.250 173 N CA -0.352 52.656 53.050 -0.071 0.000 0.820 173 N CB 0.719 39.144 38.487 -0.104 0.000 1.156 173 N HN 0.386 nan 8.380 nan 0.000 0.512 174 D N 2.017 122.382 120.400 -0.059 0.000 2.896 174 D HA 0.234 4.874 4.640 -0.000 0.000 0.240 174 D C -0.226 175.994 176.300 -0.134 0.000 1.193 174 D CA -0.197 53.752 54.000 -0.086 0.000 0.983 174 D CB -0.055 40.700 40.800 -0.074 0.000 1.074 174 D HN 0.430 nan 8.370 nan 0.000 0.496 175 A N 0.463 123.223 122.820 -0.100 0.000 2.269 175 A HA 0.670 4.990 4.320 -0.000 0.000 0.319 175 A C 1.262 178.741 177.584 -0.176 0.000 1.110 175 A CA -0.057 51.928 52.037 -0.087 0.000 0.847 175 A CB 1.122 20.181 19.000 0.099 0.000 1.161 175 A HN 0.325 nan 8.150 nan 0.000 0.497 176 A N -0.198 122.520 122.820 -0.169 0.000 2.067 176 A HA 0.501 4.821 4.320 -0.000 0.000 0.217 176 A C 1.028 178.570 177.584 -0.072 0.000 1.156 176 A CA 1.604 53.575 52.037 -0.110 0.000 0.683 176 A CB -0.404 18.568 19.000 -0.047 0.000 0.808 176 A HN 2.150 nan 8.150 nan 0.000 0.455 177 A N -3.478 119.329 122.820 -0.022 0.000 2.594 177 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 177 A C -0.175 177.427 177.584 0.030 0.000 1.071 177 A CA -0.508 51.462 52.037 -0.111 0.000 0.685 177 A CB 0.034 18.976 19.000 -0.097 0.000 1.285 177 A HN 0.909 nan 8.150 nan 0.000 0.405 178 Y N 0.293 120.623 120.300 0.051 0.000 3.491 178 Y HA -0.297 4.253 4.550 -0.000 0.000 0.215 178 Y C 1.955 177.774 175.900 -0.134 0.000 1.219 178 Y CA 1.168 59.341 58.100 0.121 0.000 1.485 178 Y CB -2.372 36.213 38.460 0.207 0.000 1.450 178 Y HN 1.078 nan 8.280 nan 0.000 0.603 179 S N -1.087 114.599 115.700 -0.023 0.000 2.447 179 S HA -0.223 4.247 4.470 -0.000 0.000 0.233 179 S C 1.728 176.207 174.600 -0.202 0.000 1.006 179 S CA 0.972 59.083 58.200 -0.147 0.000 0.957 179 S CB -0.688 62.459 63.200 -0.089 0.000 0.773 179 S HN 0.692 nan 8.310 nan 0.000 0.507 180 Y N 3.037 123.265 120.300 -0.119 0.000 2.333 180 Y HA -0.103 4.447 4.550 -0.000 0.000 0.290 180 Y C 2.358 178.300 175.900 0.069 0.000 1.144 180 Y CA 1.244 59.341 58.100 -0.005 0.000 1.228 180 Y CB -1.398 37.082 38.460 0.034 0.000 0.985 180 Y HN 0.651 nan 8.280 nan 0.000 0.542 181 H N -1.468 117.113 119.070 -0.814 0.000 2.502 181 H HA 0.268 4.824 4.556 -0.000 0.000 0.283 181 H C 1.933 177.085 175.328 -0.292 0.000 1.015 181 H CA 0.657 56.329 56.048 -0.627 0.000 1.298 181 H CB -0.229 29.199 29.762 -0.557 0.000 1.411 181 H HN 0.493 nan 8.280 nan 0.000 0.556 182 G N 0.855 109.525 108.800 -0.218 0.000 2.199 182 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 182 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 182 G C 0.358 175.135 174.900 -0.206 0.000 0.982 182 G CA 0.391 45.362 45.100 -0.215 0.000 0.632 182 G HN 0.518 nan 8.290 nan 0.000 0.529 183 Y N 0.911 121.401 120.300 0.318 0.000 2.502 183 Y HA 0.546 5.096 4.550 -0.000 0.000 0.295 183 Y C 1.793 177.808 175.900 0.192 0.000 1.193 183 Y CA 0.736 58.953 58.100 0.196 0.000 1.295 183 Y CB 0.502 39.014 38.460 0.086 0.000 1.059 183 Y HN 0.589 nan 8.280 nan 0.000 0.514 184 A N 0.402 123.361 122.820 0.233 0.000 3.105 184 A HA 0.732 5.052 4.320 -0.000 0.000 0.336 184 A C 0.210 177.811 177.584 0.028 0.000 1.042 184 A CA -0.555 51.582 52.037 0.166 0.000 0.851 184 A CB -0.701 18.405 19.000 0.177 0.000 1.068 184 A HN 0.176 nan 8.150 nan 0.000 0.477 185 A N 1.100 123.888 122.820 -0.054 0.000 2.540 185 A HA 0.435 4.755 4.320 -0.000 0.000 0.239 185 A C 1.345 178.841 177.584 -0.145 0.000 1.061 185 A CA 0.881 52.802 52.037 -0.193 0.000 0.758 185 A CB -0.048 18.645 19.000 -0.512 0.000 0.991 185 A HN 1.350 nan 8.150 nan 0.000 0.502 186 T N -1.649 112.794 114.554 -0.185 0.000 3.010 186 T HA 0.282 4.632 4.350 -0.000 0.000 0.257 186 T C -0.123 174.199 174.700 -0.630 0.000 1.020 186 T CA 0.571 62.486 62.100 -0.310 0.000 0.938 186 T CB 0.130 68.921 68.868 -0.130 0.000 1.049 186 T HN 0.625 nan 8.240 nan 0.000 0.522 187 D N 0.106 120.281 120.400 -0.375 0.000 2.333 187 D HA 0.146 4.786 4.640 -0.000 0.000 0.225 187 D C 0.049 176.358 176.300 0.014 0.000 1.345 187 D CA -0.392 53.500 54.000 -0.179 0.000 0.971 187 D CB 0.734 41.540 40.800 0.010 0.000 1.451 187 D HN -0.021 nan 8.370 nan 0.000 0.561 188 H N 2.274 121.441 119.070 0.161 0.000 2.521 188 H HA -0.038 4.518 4.556 -0.000 0.000 0.286 188 H C 0.380 175.808 175.328 0.168 0.000 1.034 188 H CA 1.024 57.185 56.048 0.189 0.000 1.278 188 H CB 0.453 30.342 29.762 0.212 0.000 1.386 188 H HN 0.477 nan 8.280 nan 0.000 0.567 189 Y N -0.215 120.258 120.300 0.289 0.000 2.524 189 Y HA 0.221 4.771 4.550 -0.000 0.000 0.266 189 Y C 0.820 176.838 175.900 0.196 0.000 1.180 189 Y CA -0.105 57.991 58.100 -0.007 0.000 1.244 189 Y CB 0.790 39.028 38.460 -0.369 0.000 1.125 189 Y HN -0.126 nan 8.280 nan 0.000 0.524 190 R N 0.798 121.575 120.500 0.462 0.000 2.538 190 R HA 0.328 4.668 4.340 -0.000 0.000 0.292 190 R C -1.116 175.400 176.300 0.360 0.000 1.008 190 R CA -0.711 55.628 56.100 0.399 0.000 0.896 190 R CB 0.978 31.422 30.300 0.240 0.000 1.187 190 R HN -0.048 nan 8.270 nan 0.000 0.440 191 I N 3.058 123.857 120.570 0.382 0.000 2.775 191 I HA -0.086 4.084 4.170 -0.000 0.000 0.290 191 I C 0.764 176.994 176.117 0.188 0.000 1.203 191 I CA 0.486 61.922 61.300 0.227 0.000 1.433 191 I CB 0.168 38.320 38.000 0.254 0.000 1.354 191 I HN 0.660 nan 8.210 nan 0.000 0.579 192 D N 8.919 129.423 120.400 0.174 0.000 2.434 192 D HA 0.010 4.650 4.640 -0.000 0.000 0.252 192 D C -1.627 174.696 176.300 0.039 0.000 1.185 192 D CA -1.193 52.845 54.000 0.063 0.000 0.886 192 D CB 1.529 42.309 40.800 -0.032 0.000 1.148 192 D HN 0.235 nan 8.370 nan 0.000 0.483 193 P HA -0.123 nan 4.420 nan 0.000 0.220 193 P C 0.845 178.135 177.300 -0.016 0.000 1.144 193 P CA 1.096 64.212 63.100 0.027 0.000 0.800 193 P CB 0.247 31.954 31.700 0.011 0.000 0.772 194 R N -2.264 118.161 120.500 -0.124 0.000 2.189 194 R HA -0.081 4.258 4.340 -0.000 0.000 0.223 194 R C 1.776 177.977 176.300 -0.165 0.000 1.092 194 R CA 1.076 57.069 56.100 -0.178 0.000 0.989 194 R CB -1.010 29.127 30.300 -0.271 0.000 0.876 194 R HN 0.310 nan 8.270 nan 0.000 0.457 195 Y N -0.681 119.652 120.300 0.054 0.000 2.365 195 Y HA 0.289 4.839 4.550 -0.000 0.000 0.293 195 Y C 1.538 177.484 175.900 0.076 0.000 1.119 195 Y CA 0.672 58.811 58.100 0.065 0.000 1.203 195 Y CB 0.007 38.505 38.460 0.063 0.000 1.026 195 Y HN 0.200 nan 8.280 nan 0.000 0.549 196 G N -0.868 108.062 108.800 0.218 0.000 2.302 196 G HA2 0.209 4.169 3.960 -0.000 0.000 0.264 196 G HA3 0.209 4.169 3.960 -0.000 0.000 0.264 196 G C -0.955 174.060 174.900 0.193 0.000 1.335 196 G CA -0.500 44.705 45.100 0.175 0.000 0.982 196 G HN 0.326 nan 8.290 nan 0.000 0.473 197 S N -0.500 115.322 115.700 0.202 0.000 2.722 197 S HA 0.546 5.016 4.470 -0.000 0.000 0.292 197 S C 1.106 175.906 174.600 0.332 0.000 1.135 197 S CA 0.156 58.496 58.200 0.234 0.000 1.003 197 S CB 1.737 65.054 63.200 0.194 0.000 1.067 197 S HN 0.595 nan 8.310 nan 0.000 0.546 198 N N 1.256 120.204 118.700 0.413 0.000 2.094 198 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 198 N C 1.434 177.255 175.510 0.519 0.000 1.023 198 N CA 1.841 55.257 53.050 0.611 0.000 0.857 198 N CB -0.730 38.192 38.487 0.725 0.000 1.013 198 N HN 0.727 nan 8.380 nan 0.000 0.426 199 E N 0.606 121.029 120.200 0.371 0.000 2.110 199 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 199 E C 1.361 178.060 176.600 0.165 0.000 0.988 199 E CA 0.951 57.493 56.400 0.235 0.000 0.804 199 E CB -0.235 29.575 29.700 0.183 0.000 0.745 199 E HN 0.359 nan 8.360 nan 0.000 0.458 200 D N -0.338 120.177 120.400 0.191 0.000 2.144 200 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 200 D C 1.688 178.088 176.300 0.168 0.000 0.984 200 D CA 0.710 54.801 54.000 0.152 0.000 0.834 200 D CB -0.313 40.585 40.800 0.163 0.000 0.955 200 D HN 0.145 nan 8.370 nan 0.000 0.465 201 F N 1.594 121.608 119.950 0.106 0.000 2.102 201 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 201 F C 2.240 178.048 175.800 0.014 0.000 1.105 201 F CA 0.884 58.929 58.000 0.076 0.000 1.239 201 F CB -0.348 38.744 39.000 0.153 0.000 0.991 201 F HN -0.224 nan 8.300 nan 0.000 0.474 202 V N 0.762 120.677 119.914 0.002 0.000 2.282 202 V HA -0.350 3.770 4.120 -0.000 0.000 0.249 202 V C 2.579 178.566 176.094 -0.178 0.000 1.057 202 V CA 2.411 64.591 62.300 -0.201 0.000 1.032 202 V CB -0.877 30.776 31.823 -0.282 0.000 0.645 202 V HN 0.299 nan 8.190 nan 0.000 0.447 203 R N -0.433 120.012 120.500 -0.091 0.000 2.096 203 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 203 R C 2.264 178.498 176.300 -0.110 0.000 1.127 203 R CA 1.528 57.582 56.100 -0.078 0.000 0.968 203 R CB -0.355 29.928 30.300 -0.028 0.000 0.861 203 R HN 0.471 nan 8.270 nan 0.000 0.440 204 L N 0.285 121.424 121.223 -0.140 0.000 2.012 204 L HA -0.189 4.150 4.340 -0.000 0.000 0.210 204 L C 2.225 178.960 176.870 -0.226 0.000 1.073 204 L CA 2.295 57.030 54.840 -0.174 0.000 0.748 204 L CB -0.981 40.956 42.059 -0.204 0.000 0.891 204 L HN 0.111 nan 8.230 nan 0.000 0.431 205 S N -1.357 114.144 115.700 -0.332 0.000 2.359 205 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 205 S C 2.087 176.586 174.600 -0.168 0.000 1.035 205 S CA 2.143 60.176 58.200 -0.278 0.000 1.018 205 S CB -0.722 62.279 63.200 -0.331 0.000 0.876 205 S HN 0.819 nan 8.310 nan 0.000 0.448 206 T N -0.401 114.066 114.554 -0.146 0.000 2.821 206 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 206 T C 1.648 176.301 174.700 -0.079 0.000 1.046 206 T CA 1.177 63.217 62.100 -0.099 0.000 1.139 206 T CB -0.501 68.316 68.868 -0.084 0.000 0.871 206 T HN 0.298 nan 8.240 nan 0.000 0.454 207 E N 1.721 121.873 120.200 -0.080 0.000 2.106 207 E HA 0.053 4.403 4.350 -0.000 0.000 0.192 207 E C 2.628 179.192 176.600 -0.058 0.000 0.984 207 E CA 1.246 57.608 56.400 -0.063 0.000 0.806 207 E CB -0.737 28.926 29.700 -0.062 0.000 0.750 207 E HN 0.707 nan 8.360 nan 0.000 0.458 208 A N 1.519 124.297 122.820 -0.071 0.000 1.902 208 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 208 A C 2.238 179.794 177.584 -0.047 0.000 1.181 208 A CA 1.696 53.699 52.037 -0.057 0.000 0.623 208 A CB -0.512 18.445 19.000 -0.071 0.000 0.818 208 A HN 0.141 nan 8.150 nan 0.000 0.443 209 R N 0.029 120.495 120.500 -0.057 0.000 2.091 209 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 209 R C 1.964 178.243 176.300 -0.036 0.000 1.136 209 R CA 1.761 57.833 56.100 -0.046 0.000 0.959 209 R CB -0.233 30.034 30.300 -0.055 0.000 0.856 209 R HN 0.491 nan 8.270 nan 0.000 0.437 210 K N -0.076 120.301 120.400 -0.038 0.000 2.209 210 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 210 K C 1.604 178.189 176.600 -0.025 0.000 1.048 210 K CA 1.179 57.448 56.287 -0.031 0.000 0.940 210 K CB 0.004 32.484 32.500 -0.032 0.000 0.729 210 K HN 0.215 nan 8.250 nan 0.000 0.451 211 R N -0.306 120.179 120.500 -0.025 0.000 2.426 211 R HA 0.069 4.409 4.340 -0.000 0.000 0.263 211 R C 0.588 176.879 176.300 -0.014 0.000 0.961 211 R CA 0.326 56.415 56.100 -0.018 0.000 1.086 211 R CB 0.639 30.929 30.300 -0.017 0.000 1.186 211 R HN 0.299 nan 8.270 nan 0.000 0.537 212 G N 1.249 110.039 108.800 -0.016 0.000 2.147 212 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 212 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 212 G C 0.036 174.932 174.900 -0.006 0.000 1.005 212 G CA 0.116 45.208 45.100 -0.013 0.000 0.713 212 G HN 0.209 nan 8.290 nan 0.000 0.515 213 M N 0.399 119.995 119.600 -0.007 0.000 2.383 213 M HA 0.566 5.046 4.480 -0.000 0.000 0.325 213 M C 0.846 177.142 176.300 -0.008 0.000 1.092 213 M CA -0.216 55.087 55.300 0.004 0.000 0.961 213 M CB 2.065 34.670 32.600 0.008 0.000 1.672 213 M HN 0.205 nan 8.290 nan 0.000 0.438 214 G N 1.623 110.428 108.800 0.008 0.000 2.528 214 G HA2 0.613 4.573 3.960 -0.000 0.000 0.289 214 G HA3 0.613 4.573 3.960 -0.000 0.000 0.289 214 G C -1.661 173.233 174.900 -0.011 0.000 1.192 214 G CA -0.469 44.632 45.100 0.002 0.000 0.921 214 G HN 0.570 nan 8.290 nan 0.000 0.512 215 L N 0.343 121.548 121.223 -0.029 0.000 2.349 215 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 215 L C -0.731 176.142 176.870 0.006 0.000 0.996 215 L CA -0.611 54.204 54.840 -0.042 0.000 0.825 215 L CB 1.530 43.502 42.059 -0.145 0.000 1.243 215 L HN 0.394 nan 8.230 nan 0.000 0.412 216 I N 4.536 125.126 120.570 0.034 0.000 2.355 216 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 216 I C -0.228 175.951 176.117 0.105 0.000 0.999 216 I CA -0.474 60.845 61.300 0.032 0.000 1.163 216 I CB 1.656 39.572 38.000 -0.140 0.000 1.316 216 I HN 0.635 nan 8.210 nan 0.000 0.454 217 Q N 5.087 124.951 119.800 0.107 0.000 2.259 217 Q HA 0.144 4.484 4.340 -0.000 0.000 0.249 217 Q C -0.800 175.231 176.000 0.052 0.000 0.914 217 Q CA -0.574 55.298 55.803 0.116 0.000 0.904 217 Q CB 1.403 30.195 28.738 0.089 0.000 1.213 217 Q HN 0.461 nan 8.270 nan 0.000 0.428 218 D N 3.347 123.799 120.400 0.087 0.000 2.347 218 D HA 0.247 4.887 4.640 -0.000 0.000 0.235 218 D C -1.077 175.240 176.300 0.029 0.000 1.149 218 D CA -0.212 53.850 54.000 0.104 0.000 0.850 218 D CB 0.947 41.931 40.800 0.308 0.000 1.061 218 D HN 0.381 nan 8.370 nan 0.000 0.487 219 V N 1.600 121.548 119.914 0.056 0.000 2.555 219 V HA 0.642 4.762 4.120 -0.000 0.000 0.302 219 V C -0.165 175.964 176.094 0.057 0.000 1.038 219 V CA -0.868 61.463 62.300 0.052 0.000 0.887 219 V CB 1.718 33.594 31.823 0.089 0.000 0.991 219 V HN 0.174 nan 8.190 nan 0.000 0.434 220 V N 5.722 125.657 119.914 0.034 0.000 2.394 220 V HA 0.405 4.525 4.120 -0.000 0.000 0.282 220 V C 0.696 176.728 176.094 -0.103 0.000 1.031 220 V CA -0.240 62.017 62.300 -0.071 0.000 0.881 220 V CB 1.253 32.965 31.823 -0.185 0.000 0.982 220 V HN 0.924 nan 8.190 nan 0.000 0.451 221 L N 2.715 123.842 121.223 -0.161 0.000 2.388 221 L HA 0.090 4.430 4.340 -0.000 0.000 0.209 221 L C 2.309 179.054 176.870 -0.209 0.000 1.061 221 L CA 0.734 55.480 54.840 -0.157 0.000 0.834 221 L CB -0.141 41.833 42.059 -0.141 0.000 1.029 221 L HN 0.727 nan 8.230 nan 0.000 0.473 222 S N -0.861 114.706 115.700 -0.223 0.000 2.406 222 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 222 S C 0.624 175.151 174.600 -0.122 0.000 1.020 222 S CA 0.399 58.509 58.200 -0.150 0.000 0.965 222 S CB -0.160 63.041 63.200 0.002 0.000 0.798 222 S HN 0.535 nan 8.310 nan 0.000 0.488 223 H N -0.990 118.006 119.070 -0.123 0.000 2.977 223 H HA 0.635 5.191 4.556 -0.000 0.000 0.350 223 H C -0.506 174.779 175.328 -0.071 0.000 1.238 223 H CA -0.927 55.030 56.048 -0.152 0.000 1.124 223 H CB 1.031 30.681 29.762 -0.188 0.000 1.866 223 H HN 0.346 nan 8.280 nan 0.000 0.550 224 I N -1.655 118.939 120.570 0.040 0.000 3.294 224 I HA 0.769 4.939 4.170 -0.000 0.000 0.311 224 I C 0.083 176.226 176.117 0.044 0.000 1.111 224 I CA -1.457 59.849 61.300 0.009 0.000 0.976 224 I CB 2.071 40.022 38.000 -0.081 0.000 1.260 224 I HN 0.654 nan 8.210 nan 0.000 0.474 225 G N 0.597 109.422 108.800 0.040 0.000 2.448 225 G HA2 0.297 4.257 3.960 -0.000 0.000 0.285 225 G HA3 0.297 4.257 3.960 -0.000 0.000 0.285 225 G C 0.431 175.345 174.900 0.023 0.000 1.176 225 G CA -0.550 44.582 45.100 0.052 0.000 0.852 225 G HN 0.923 nan 8.290 nan 0.000 0.530 226 K N -0.433 119.955 120.400 -0.020 0.000 2.280 226 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 226 K C 0.951 177.466 176.600 -0.141 0.000 1.047 226 K CA 1.241 57.474 56.287 -0.090 0.000 0.942 226 K CB -0.017 32.398 32.500 -0.140 0.000 0.739 226 K HN 0.521 nan 8.250 nan 0.000 0.457 227 H N -0.063 119.044 119.070 0.061 0.000 2.526 227 H HA 0.057 4.613 4.556 -0.000 0.000 0.274 227 H C -0.337 175.015 175.328 0.040 0.000 0.999 227 H CA -0.164 55.916 56.048 0.053 0.000 1.157 227 H CB -0.374 29.405 29.762 0.028 0.000 1.407 227 H HN 0.372 nan 8.280 nan 0.000 0.568 228 H N 1.502 120.571 119.070 -0.002 0.000 3.001 228 H HA -0.118 4.438 4.556 -0.000 0.000 0.334 228 H C 1.534 176.803 175.328 -0.099 0.000 1.034 228 H CA 0.048 56.004 56.048 -0.154 0.000 1.420 228 H CB 0.517 30.077 29.762 -0.336 0.000 1.405 228 H HN 0.430 nan 8.280 nan 0.000 0.593 229 W N 4.701 125.886 121.300 -0.192 0.000 2.364 229 W HA -0.187 4.473 4.660 -0.000 0.000 0.281 229 W C 0.554 177.178 176.519 0.176 0.000 1.219 229 W CA -0.088 57.241 57.345 -0.026 0.000 1.220 229 W CB -0.896 28.479 29.460 -0.142 0.000 1.127 229 W HN 0.653 nan 8.180 nan 0.000 0.556 230 W N 1.137 122.232 121.300 -0.340 0.000 2.350 230 W HA -0.189 4.471 4.660 -0.000 0.000 0.289 230 W C 2.378 178.787 176.519 -0.184 0.000 1.215 230 W CA 0.917 57.951 57.345 -0.518 0.000 1.236 230 W CB -1.214 27.763 29.460 -0.804 0.000 1.130 230 W HN -0.086 nan 8.180 nan 0.000 0.541 231 M N 0.211 119.914 119.600 0.171 0.000 2.374 231 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 231 M C 1.574 177.960 176.300 0.143 0.000 1.067 231 M CA 1.165 56.547 55.300 0.135 0.000 1.103 231 M CB -1.234 31.437 32.600 0.118 0.000 1.402 231 M HN 0.075 nan 8.290 nan 0.000 0.444 232 K N -0.083 120.427 120.400 0.184 0.000 2.288 232 K HA -0.064 4.256 4.320 -0.000 0.000 0.201 232 K C 0.073 176.782 176.600 0.181 0.000 1.048 232 K CA 0.773 57.171 56.287 0.184 0.000 0.956 232 K CB 0.128 32.761 32.500 0.221 0.000 0.746 232 K HN 0.117 nan 8.250 nan 0.000 0.461 233 D N 0.182 120.701 120.400 0.199 0.000 2.634 233 D HA 0.125 4.764 4.640 -0.000 0.000 0.236 233 D C -1.157 175.222 176.300 0.133 0.000 1.323 233 D CA -0.221 53.906 54.000 0.211 0.000 0.884 233 D CB 0.219 41.209 40.800 0.316 0.000 1.496 233 D HN -0.098 nan 8.370 nan 0.000 0.525 234 L N 3.564 124.784 121.223 -0.005 0.000 2.584 234 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 234 L C -1.078 175.512 176.870 -0.467 0.000 1.195 234 L CA -0.940 53.768 54.840 -0.221 0.000 0.920 234 L CB 0.477 42.478 42.059 -0.097 0.000 1.173 234 L HN 0.266 nan 8.230 nan 0.000 0.489 235 P HA -0.118 nan 4.420 nan 0.000 0.216 235 P C 0.263 177.142 177.300 -0.702 0.000 1.153 235 P CA 1.205 63.330 63.100 -1.625 0.000 0.858 235 P CB 0.124 30.316 31.700 -2.513 0.000 0.789 236 T N -7.889 106.428 114.554 -0.396 0.000 2.883 236 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 236 T C -2.497 172.175 174.700 -0.045 0.000 1.117 236 T CA -2.221 59.813 62.100 -0.111 0.000 1.006 236 T CB 1.609 70.475 68.868 -0.002 0.000 1.191 236 T HN -0.307 nan 8.240 nan 0.000 0.508 237 P HA -0.017 nan 4.420 nan 0.000 0.219 237 P C 0.670 177.978 177.300 0.013 0.000 1.146 237 P CA 1.116 64.217 63.100 0.002 0.000 0.808 237 P CB -0.013 31.689 31.700 0.002 0.000 0.779 238 D N -2.914 117.486 120.400 0.001 0.000 2.424 238 D HA -0.064 4.576 4.640 -0.000 0.000 0.220 238 D C 1.344 177.617 176.300 -0.045 0.000 1.150 238 D CA -0.536 53.446 54.000 -0.030 0.000 0.831 238 D CB -1.276 39.483 40.800 -0.069 0.000 0.981 238 D HN 0.233 nan 8.370 nan 0.000 0.500 239 W N 1.098 122.257 121.300 -0.234 0.000 2.363 239 W HA 0.009 4.669 4.660 -0.000 0.000 0.296 239 W C -0.351 175.995 176.519 -0.289 0.000 1.212 239 W CA 0.589 57.731 57.345 -0.338 0.000 1.260 239 W CB 0.285 29.461 29.460 -0.474 0.000 1.131 239 W HN -0.130 nan 8.180 nan 0.000 0.530 240 I N 1.732 122.305 120.570 0.006 0.000 2.412 240 I HA 0.113 4.283 4.170 -0.000 0.000 0.296 240 I C -0.036 176.097 176.117 0.027 0.000 0.987 240 I CA -1.053 60.237 61.300 -0.018 0.000 1.180 240 I CB 0.586 38.644 38.000 0.098 0.000 1.340 240 I HN -0.147 nan 8.210 nan 0.000 0.455 241 N N 4.907 123.611 118.700 0.006 0.000 2.395 241 N HA 0.010 4.750 4.740 -0.000 0.000 0.246 241 N C -0.769 174.885 175.510 0.240 0.000 1.246 241 N CA 0.233 53.275 53.050 -0.013 0.000 0.879 241 N CB 0.016 38.462 38.487 -0.068 0.000 1.098 241 N HN 0.418 nan 8.380 nan 0.000 0.444 242 Y N -0.362 120.023 120.300 0.142 0.000 3.689 242 Y HA -0.216 4.334 4.550 -0.000 0.000 0.221 242 Y C 1.321 177.267 175.900 0.078 0.000 1.247 242 Y CA 0.788 58.935 58.100 0.078 0.000 1.671 242 Y CB -2.145 36.321 38.460 0.010 0.000 1.521 242 Y HN 0.907 nan 8.280 nan 0.000 0.632 243 G N -1.155 107.729 108.800 0.140 0.000 2.225 243 G HA2 0.082 4.042 3.960 -0.000 0.000 0.267 243 G HA3 0.082 4.042 3.960 -0.000 0.000 0.267 243 G C 1.424 176.425 174.900 0.169 0.000 1.024 243 G CA 1.153 46.323 45.100 0.117 0.000 0.784 243 G HN 2.128 nan 8.290 nan 0.000 0.507 244 G N -1.140 107.828 108.800 0.281 0.000 2.162 244 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.260 244 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.260 244 G C 0.362 175.519 174.900 0.427 0.000 0.976 244 G CA 1.512 46.848 45.100 0.393 0.000 0.655 244 G HN 1.980 nan 8.290 nan 0.000 0.533 245 K N -0.667 119.862 120.400 0.216 0.000 2.138 245 K HA 0.702 5.022 4.320 -0.000 0.000 0.263 245 K C 0.083 176.276 176.600 -0.679 0.000 0.965 245 K CA -1.327 54.902 56.287 -0.095 0.000 0.868 245 K CB 1.432 33.886 32.500 -0.077 0.000 1.083 245 K HN 0.242 nan 8.250 nan 0.000 0.443 246 F N 3.407 122.621 119.950 -1.228 0.000 2.571 246 F HA 0.138 4.665 4.527 -0.000 0.000 0.390 246 F C -1.035 174.180 175.800 -0.976 0.000 1.043 246 F CA 0.097 57.108 58.000 -1.648 0.000 1.164 246 F CB 0.295 38.766 39.000 -0.881 0.000 1.049 246 F HN 0.227 nan 8.300 nan 0.000 0.552 247 V N 9.191 128.189 119.914 -1.526 0.000 2.447 247 V HA 0.325 4.445 4.120 -0.000 0.000 0.292 247 V C -2.144 173.360 176.094 -0.984 0.000 1.021 247 V CA -1.642 59.922 62.300 -1.226 0.000 0.850 247 V CB 1.768 32.875 31.823 -1.193 0.000 1.005 247 V HN 0.630 nan 8.190 nan 0.000 0.426 248 P HA 0.137 nan 4.420 nan 0.000 0.275 248 P C -0.025 177.121 177.300 -0.256 0.000 1.228 248 P CA 0.129 62.961 63.100 -0.447 0.000 0.786 248 P CB 0.976 32.477 31.700 -0.330 0.000 0.927 249 T N 1.637 116.088 114.554 -0.171 0.000 2.913 249 T HA 0.077 4.427 4.350 -0.000 0.000 0.297 249 T C 0.907 175.387 174.700 -0.366 0.000 1.029 249 T CA 0.109 62.055 62.100 -0.256 0.000 1.104 249 T CB 0.132 68.804 68.868 -0.326 0.000 0.964 249 T HN 0.237 nan 8.240 nan 0.000 0.532 250 Q N 1.429 121.065 119.800 -0.274 0.000 2.247 250 Q HA 0.254 4.594 4.340 -0.000 0.000 0.204 250 Q C 0.064 175.879 176.000 -0.310 0.000 0.872 250 Q CA 0.123 55.764 55.803 -0.271 0.000 0.951 250 Q CB -0.057 28.524 28.738 -0.262 0.000 1.099 250 Q HN 0.822 nan 8.270 nan 0.000 0.501 251 H N -1.313 117.719 119.070 -0.063 0.000 2.839 251 H HA -0.178 4.378 4.556 -0.000 0.000 0.298 251 H C -0.899 174.445 175.328 0.028 0.000 1.224 251 H CA 0.574 56.741 56.048 0.198 0.000 1.144 251 H CB -2.181 27.649 29.762 0.113 0.000 1.372 251 H HN 0.553 nan 8.280 nan 0.000 0.408 252 H N 1.539 120.722 119.070 0.188 0.000 3.045 252 H HA 0.061 4.617 4.556 -0.000 0.000 0.254 252 H C 1.844 176.839 175.328 -0.555 0.000 1.747 252 H CA 0.159 56.160 56.048 -0.079 0.000 1.444 252 H CB 0.377 30.127 29.762 -0.020 0.000 1.778 252 H HN 0.483 nan 8.280 nan 0.000 0.544 253 R N 0.833 120.889 120.500 -0.740 0.000 2.120 253 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 253 R C 1.456 177.377 176.300 -0.631 0.000 1.123 253 R CA 1.765 57.017 56.100 -1.413 0.000 0.975 253 R CB -0.519 29.409 30.300 -0.620 0.000 0.866 253 R HN 0.460 nan 8.270 nan 0.000 0.446 254 V N -1.628 118.116 119.914 -0.284 0.000 2.970 254 V HA 0.164 4.284 4.120 -0.000 0.000 0.260 254 V C 2.426 178.441 176.094 -0.131 0.000 1.100 254 V CA 1.070 63.280 62.300 -0.149 0.000 1.122 254 V CB -0.452 31.326 31.823 -0.076 0.000 0.721 254 V HN 0.358 nan 8.190 nan 0.000 0.483 255 A N 1.485 124.216 122.820 -0.147 0.000 2.076 255 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 255 A C 2.287 179.846 177.584 -0.041 0.000 1.160 255 A CA 2.145 54.144 52.037 -0.064 0.000 0.653 255 A CB -0.822 18.172 19.000 -0.011 0.000 0.801 255 A HN 1.283 nan 8.150 nan 0.000 0.455 256 V N -2.155 117.715 119.914 -0.074 0.000 3.461 256 V HA 0.029 4.148 4.120 -0.000 0.000 0.267 256 V C 0.817 176.835 176.094 -0.126 0.000 1.186 256 V CA 1.250 63.521 62.300 -0.048 0.000 1.154 256 V CB -1.000 30.852 31.823 0.047 0.000 0.802 256 V HN 0.796 nan 8.190 nan 0.000 0.474 257 Q N 0.114 119.859 119.800 -0.092 0.000 2.409 257 Q HA 0.466 4.806 4.340 -0.000 0.000 0.345 257 Q C -0.929 175.131 176.000 0.100 0.000 0.847 257 Q CA -0.295 55.486 55.803 -0.037 0.000 1.092 257 Q CB 0.537 29.161 28.738 -0.190 0.000 1.377 257 Q HN 0.457 nan 8.270 nan 0.000 0.399 258 D N 1.278 121.744 120.400 0.110 0.000 2.855 258 D HA 0.253 4.893 4.640 -0.000 0.000 0.241 258 D C -1.927 174.363 176.300 -0.016 0.000 1.277 258 D CA -2.065 51.919 54.000 -0.026 0.000 0.918 258 D CB 2.234 43.015 40.800 -0.031 0.000 1.462 258 D HN -0.010 nan 8.370 nan 0.000 0.559 259 P HA -0.103 nan 4.420 nan 0.000 0.222 259 P C 0.435 177.592 177.300 -0.238 0.000 1.147 259 P CA 0.848 63.764 63.100 -0.307 0.000 0.790 259 P CB 0.148 31.392 31.700 -0.759 0.000 0.780 260 Y N -0.229 120.055 120.300 -0.028 0.000 2.493 260 Y HA 0.469 5.019 4.550 -0.000 0.000 0.275 260 Y C 1.487 177.374 175.900 -0.022 0.000 1.183 260 Y CA -1.372 56.711 58.100 -0.028 0.000 1.258 260 Y CB -1.061 37.368 38.460 -0.052 0.000 1.108 260 Y HN -0.100 nan 8.280 nan 0.000 0.521 261 A N 1.132 124.009 122.820 0.096 0.000 2.498 261 A HA 0.544 4.863 4.320 -0.000 0.000 0.239 261 A C 0.570 178.184 177.584 0.050 0.000 1.068 261 A CA 0.093 52.163 52.037 0.055 0.000 0.766 261 A CB -0.069 18.953 19.000 0.036 0.000 1.003 261 A HN 0.366 nan 8.150 nan 0.000 0.497 262 A N 1.502 124.340 122.820 0.029 0.000 2.309 262 A HA 0.446 4.766 4.320 -0.000 0.000 0.298 262 A C 0.888 178.494 177.584 0.037 0.000 1.165 262 A CA -0.399 51.654 52.037 0.028 0.000 0.821 262 A CB 0.264 19.271 19.000 0.011 0.000 1.102 262 A HN 0.942 nan 8.150 nan 0.000 0.500 263 Q N 1.813 121.637 119.800 0.039 0.000 2.197 263 Q HA -0.254 4.086 4.340 -0.000 0.000 0.207 263 Q C 2.228 178.264 176.000 0.061 0.000 0.984 263 Q CA 1.769 57.600 55.803 0.047 0.000 0.869 263 Q CB -0.346 28.416 28.738 0.040 0.000 0.906 263 Q HN 0.932 nan 8.270 nan 0.000 0.426 264 A N 1.522 124.375 122.820 0.054 0.000 1.908 264 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 264 A C 1.617 179.259 177.584 0.095 0.000 1.181 264 A CA 1.931 54.008 52.037 0.067 0.000 0.627 264 A CB -0.389 18.638 19.000 0.045 0.000 0.818 264 A HN 0.244 nan 8.150 nan 0.000 0.445 265 D N -0.243 120.209 120.400 0.086 0.000 2.123 265 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 265 D C 2.564 178.962 176.300 0.163 0.000 0.976 265 D CA 1.729 55.807 54.000 0.131 0.000 0.831 265 D CB -0.363 40.470 40.800 0.056 0.000 0.974 265 D HN 0.575 nan 8.370 nan 0.000 0.469 266 S N 0.750 116.522 115.700 0.119 0.000 2.368 266 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 266 S C 1.849 176.554 174.600 0.176 0.000 1.029 266 S CA 0.813 59.096 58.200 0.138 0.000 0.988 266 S CB -0.475 62.776 63.200 0.084 0.000 0.838 266 S HN 0.266 nan 8.310 nan 0.000 0.462 267 E N 1.652 121.935 120.200 0.139 0.000 2.077 267 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 267 E C 2.192 178.909 176.600 0.195 0.000 0.989 267 E CA 0.992 57.475 56.400 0.140 0.000 0.800 267 E CB -0.342 29.429 29.700 0.118 0.000 0.746 267 E HN 0.634 nan 8.360 nan 0.000 0.452 268 N N 0.311 119.134 118.700 0.204 0.000 2.223 268 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 268 N C 1.736 177.367 175.510 0.203 0.000 1.016 268 N CA 0.725 53.893 53.050 0.197 0.000 0.863 268 N CB -0.059 38.516 38.487 0.147 0.000 0.983 268 N HN 0.065 nan 8.380 nan 0.000 0.429 269 F N 1.733 121.719 119.950 0.060 0.000 2.163 269 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 269 F C 2.647 178.483 175.800 0.061 0.000 1.094 269 F CA 1.891 59.894 58.000 0.005 0.000 1.290 269 F CB -0.643 38.333 39.000 -0.040 0.000 1.017 269 F HN 0.094 nan 8.300 nan 0.000 0.483 270 T N -3.425 111.189 114.554 0.100 0.000 3.057 270 T HA 0.083 4.433 4.350 -0.000 0.000 0.254 270 T C 1.657 176.378 174.700 0.034 0.000 1.094 270 T CA 0.492 62.607 62.100 0.025 0.000 1.088 270 T CB -0.070 68.849 68.868 0.084 0.000 0.934 270 T HN 0.222 nan 8.240 nan 0.000 0.497 271 K N 0.762 121.224 120.400 0.103 0.000 2.365 271 K HA 0.312 4.632 4.320 -0.000 0.000 0.195 271 K C 1.376 178.210 176.600 0.390 0.000 1.079 271 K CA 0.021 56.387 56.287 0.132 0.000 0.979 271 K CB 0.307 32.805 32.500 -0.003 0.000 0.929 271 K HN 0.366 nan 8.250 nan 0.000 0.523 272 G N 1.432 110.454 108.800 0.369 0.000 2.414 272 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.236 272 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.236 272 G C -0.882 174.231 174.900 0.355 0.000 1.293 272 G CA -0.313 44.976 45.100 0.314 0.000 0.869 272 G HN 0.080 nan 8.290 nan 0.000 0.556 273 W N 2.442 123.771 121.300 0.048 0.000 2.253 273 W HA 0.338 4.998 4.660 -0.000 0.000 0.322 273 W C 1.023 177.579 176.519 0.062 0.000 1.342 273 W CA -1.094 56.327 57.345 0.126 0.000 1.218 273 W CB 0.091 29.742 29.460 0.317 0.000 1.205 273 W HN 0.542 nan 8.180 nan 0.000 0.551 274 F N 2.627 122.592 119.950 0.024 0.000 2.069 274 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 274 F C 1.042 176.846 175.800 0.007 0.000 1.113 274 F CA 2.365 60.273 58.000 -0.153 0.000 1.214 274 F CB -0.146 38.565 39.000 -0.481 0.000 0.978 274 F HN 0.007 nan 8.300 nan 0.000 0.474 275 V N -3.598 116.487 119.914 0.285 0.000 3.181 275 V HA 0.332 4.452 4.120 -0.000 0.000 0.308 275 V C 0.813 176.990 176.094 0.139 0.000 1.214 275 V CA -0.683 61.731 62.300 0.190 0.000 1.053 275 V CB 1.290 33.169 31.823 0.093 0.000 1.069 275 V HN 0.103 nan 8.190 nan 0.000 0.441 276 E N 1.531 121.495 120.200 -0.394 0.000 2.171 276 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 276 E C 1.728 178.291 176.600 -0.062 0.000 0.997 276 E CA 2.096 58.020 56.400 -0.794 0.000 0.810 276 E CB -0.403 28.570 29.700 -1.213 0.000 0.738 276 E HN 1.085 nan 8.360 nan 0.000 0.467 277 G N -0.345 108.432 108.800 -0.038 0.000 2.920 277 G HA2 0.010 3.970 3.960 -0.000 0.000 0.208 277 G HA3 0.010 3.970 3.960 -0.000 0.000 0.208 277 G C 0.508 175.423 174.900 0.024 0.000 1.159 277 G CA -0.177 44.933 45.100 0.017 0.000 0.784 277 G HN 0.112 nan 8.290 nan 0.000 0.535 278 M N 1.170 120.780 119.600 0.017 0.000 2.236 278 M HA 0.255 4.735 4.480 -0.000 0.000 0.228 278 M C -2.799 173.262 176.300 -0.398 0.000 0.906 278 M CA -1.727 53.501 55.300 -0.121 0.000 0.761 278 M CB 2.377 34.823 32.600 -0.256 0.000 1.439 278 M HN -0.235 nan 8.290 nan 0.000 0.394 279 P HA -0.067 nan 4.420 nan 0.000 0.263 279 P C -0.831 175.883 177.300 -0.977 0.000 1.175 279 P CA 0.486 62.638 63.100 -1.581 0.000 0.761 279 P CB 0.408 31.642 31.700 -0.776 0.000 0.794 280 D N 2.591 122.247 120.400 -1.241 0.000 2.280 280 D HA 0.217 4.857 4.640 -0.000 0.000 0.243 280 D C -0.281 175.820 176.300 -0.332 0.000 1.129 280 D CA -0.315 53.372 54.000 -0.521 0.000 0.848 280 D CB 0.239 40.847 40.800 -0.319 0.000 1.107 280 D HN 0.192 nan 8.370 nan 0.000 0.471 281 L N 3.701 124.755 121.223 -0.281 0.000 2.410 281 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 281 L C 0.611 177.250 176.870 -0.385 0.000 1.152 281 L CA -0.381 54.243 54.840 -0.360 0.000 0.855 281 L CB 0.365 42.201 42.059 -0.372 0.000 1.129 281 L HN 0.460 nan 8.230 nan 0.000 0.463 282 N N 2.953 121.386 118.700 -0.444 0.000 2.508 282 N HA 0.042 4.782 4.740 -0.000 0.000 0.253 282 N C 0.504 175.730 175.510 -0.473 0.000 1.145 282 N CA 0.117 52.934 53.050 -0.388 0.000 0.973 282 N CB 0.697 38.989 38.487 -0.325 0.000 1.305 282 N HN 0.517 nan 8.380 nan 0.000 0.506 283 Q N 0.362 119.891 119.800 -0.451 0.000 2.482 283 Q HA -0.036 4.304 4.340 -0.000 0.000 0.209 283 Q C 1.345 177.170 176.000 -0.291 0.000 0.961 283 Q CA 0.979 56.453 55.803 -0.548 0.000 0.945 283 Q CB 0.257 28.493 28.738 -0.836 0.000 1.012 283 Q HN 0.735 nan 8.270 nan 0.000 0.515 284 T N -2.256 112.170 114.554 -0.214 0.000 3.113 284 T HA -0.025 4.325 4.350 -0.000 0.000 0.256 284 T C 0.779 175.389 174.700 -0.151 0.000 1.131 284 T CA -0.121 61.906 62.100 -0.123 0.000 1.074 284 T CB 0.011 68.822 68.868 -0.094 0.000 0.944 284 T HN -0.004 nan 8.240 nan 0.000 0.516 285 N N 2.629 121.184 118.700 -0.241 0.000 2.411 285 N HA 0.208 4.948 4.740 -0.000 0.000 0.259 285 N C -2.062 173.299 175.510 -0.247 0.000 1.103 285 N CA -2.160 50.737 53.050 -0.256 0.000 0.954 285 N CB 1.825 40.099 38.487 -0.355 0.000 1.085 285 N HN 0.012 nan 8.380 nan 0.000 0.485 286 P HA -0.092 nan 4.420 nan 0.000 0.219 286 P C 1.333 178.561 177.300 -0.121 0.000 1.146 286 P CA 1.034 64.075 63.100 -0.099 0.000 0.808 286 P CB 0.337 31.999 31.700 -0.063 0.000 0.779 287 L N -1.750 119.344 121.223 -0.215 0.000 2.109 287 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 287 L C 2.353 179.105 176.870 -0.197 0.000 1.086 287 L CA 1.074 55.803 54.840 -0.185 0.000 0.760 287 L CB -1.115 40.722 42.059 -0.370 0.000 0.910 287 L HN -0.141 nan 8.230 nan 0.000 0.437 288 V N 0.248 119.799 119.914 -0.604 0.000 2.358 288 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 288 V C 2.822 178.714 176.094 -0.336 0.000 1.047 288 V CA 1.713 63.529 62.300 -0.806 0.000 1.035 288 V CB -0.837 30.304 31.823 -1.136 0.000 0.658 288 V HN 0.448 nan 8.190 nan 0.000 0.452 289 A N 0.690 123.363 122.820 -0.245 0.000 1.865 289 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 289 A C 2.070 179.788 177.584 0.223 0.000 1.191 289 A CA 2.300 54.363 52.037 0.043 0.000 0.623 289 A CB -0.785 18.333 19.000 0.196 0.000 0.826 289 A HN 0.588 nan 8.150 nan 0.000 0.444 290 N N -1.539 117.246 118.700 0.142 0.000 2.166 290 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 290 N C 1.568 177.215 175.510 0.227 0.000 1.019 290 N CA 1.712 54.861 53.050 0.165 0.000 0.856 290 N CB -0.660 37.908 38.487 0.135 0.000 0.993 290 N HN 0.693 nan 8.380 nan 0.000 0.426 291 Y N 1.532 121.926 120.300 0.156 0.000 2.145 291 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 291 Y C 2.186 178.233 175.900 0.245 0.000 1.145 291 Y CA 1.405 59.656 58.100 0.251 0.000 1.148 291 Y CB -0.339 38.312 38.460 0.319 0.000 0.981 291 Y HN -0.030 nan 8.280 nan 0.000 0.507 292 L N -0.583 120.856 121.223 0.359 0.000 2.027 292 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 292 L C 2.415 179.504 176.870 0.366 0.000 1.074 292 L CA 1.383 56.409 54.840 0.310 0.000 0.745 292 L CB -0.581 41.651 42.059 0.289 0.000 0.898 292 L HN 0.250 nan 8.230 nan 0.000 0.433 293 I N -0.441 120.384 120.570 0.424 0.000 2.127 293 I HA -0.354 3.816 4.170 -0.000 0.000 0.241 293 I C 2.686 178.956 176.117 0.255 0.000 1.075 293 I CA 1.544 63.030 61.300 0.309 0.000 1.334 293 I CB -0.341 37.777 38.000 0.197 0.000 1.040 293 I HN 0.345 nan 8.210 nan 0.000 0.405 294 Q N 0.191 120.131 119.800 0.234 0.000 2.084 294 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 294 Q C 2.131 178.380 176.000 0.415 0.000 0.978 294 Q CA 1.555 57.561 55.803 0.338 0.000 0.844 294 Q CB -0.371 28.425 28.738 0.097 0.000 0.898 294 Q HN 0.528 nan 8.270 nan 0.000 0.426 295 N N 0.883 119.667 118.700 0.141 0.000 2.084 295 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 295 N C 1.247 176.915 175.510 0.263 0.000 1.030 295 N CA 1.420 54.450 53.050 -0.033 0.000 0.849 295 N CB 0.013 38.243 38.487 -0.429 0.000 1.012 295 N HN 0.177 nan 8.380 nan 0.000 0.423 296 N N 0.950 119.848 118.700 0.330 0.000 2.188 296 N HA -0.008 4.732 4.740 -0.000 0.000 0.184 296 N C 1.898 177.641 175.510 0.390 0.000 1.018 296 N CA 0.630 53.931 53.050 0.418 0.000 0.858 296 N CB -0.281 38.451 38.487 0.410 0.000 0.989 296 N HN 0.362 nan 8.380 nan 0.000 0.426 297 I N -0.808 119.978 120.570 0.360 0.000 2.226 297 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 297 I C 2.123 178.403 176.117 0.271 0.000 1.100 297 I CA 0.830 62.326 61.300 0.327 0.000 1.374 297 I CB -0.177 38.031 38.000 0.346 0.000 1.057 297 I HN 0.234 nan 8.210 nan 0.000 0.413 298 W N 1.057 122.499 121.300 0.238 0.000 2.318 298 W HA -0.269 4.391 4.660 -0.000 0.000 0.313 298 W C 2.196 178.833 176.519 0.198 0.000 1.221 298 W CA 1.657 59.144 57.345 0.236 0.000 1.266 298 W CB -0.596 29.043 29.460 0.299 0.000 1.150 298 W HN 0.101 nan 8.180 nan 0.000 0.496 299 W N 0.038 121.610 121.300 0.453 0.000 2.358 299 W HA -0.177 4.483 4.660 -0.000 0.000 0.303 299 W C 2.345 178.926 176.519 0.103 0.000 1.208 299 W CA 1.309 58.835 57.345 0.301 0.000 1.274 299 W CB -0.799 28.854 29.460 0.322 0.000 1.138 299 W HN -0.182 nan 8.180 nan 0.000 0.515 300 I N -0.103 120.612 120.570 0.242 0.000 2.163 300 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 300 I C 2.359 178.366 176.117 -0.183 0.000 1.085 300 I CA 1.691 62.961 61.300 -0.050 0.000 1.347 300 I CB -0.521 37.296 38.000 -0.305 0.000 1.044 300 I HN -0.086 nan 8.210 nan 0.000 0.408 301 E N 0.122 120.153 120.200 -0.282 0.000 2.072 301 E HA -0.253 4.097 4.350 -0.000 0.000 0.190 301 E C 2.073 178.484 176.600 -0.314 0.000 0.982 301 E CA 1.274 57.337 56.400 -0.562 0.000 0.803 301 E CB -0.290 28.543 29.700 -1.444 0.000 0.755 301 E HN 0.481 nan 8.360 nan 0.000 0.453 302 Y N -0.058 120.066 120.300 -0.293 0.000 2.220 302 Y HA 0.068 4.618 4.550 -0.000 0.000 0.291 302 Y C 1.762 177.669 175.900 0.012 0.000 1.129 302 Y CA 1.695 59.755 58.100 -0.067 0.000 1.161 302 Y CB -0.416 37.731 38.460 -0.522 0.000 0.997 302 Y HN 0.073 nan 8.280 nan 0.000 0.522 303 A N -0.787 122.013 122.820 -0.034 0.000 2.348 303 A HA 0.421 4.741 4.320 -0.000 0.000 0.224 303 A C 1.562 179.073 177.584 -0.122 0.000 1.227 303 A CA 0.444 52.426 52.037 -0.091 0.000 0.885 303 A CB -1.030 18.124 19.000 0.257 0.000 0.933 303 A HN 0.873 nan 8.150 nan 0.000 0.506 304 G N 0.154 108.888 108.800 -0.110 0.000 2.272 304 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.280 304 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.280 304 G C 0.012 174.840 174.900 -0.122 0.000 1.067 304 G CA 0.356 45.380 45.100 -0.128 0.000 0.902 304 G HN 0.471 nan 8.290 nan 0.000 0.500 305 L N 0.057 121.216 121.223 -0.106 0.000 2.452 305 L HA 0.377 4.717 4.340 -0.000 0.000 0.267 305 L C 1.905 178.721 176.870 -0.091 0.000 1.188 305 L CA 0.274 55.072 54.840 -0.070 0.000 0.821 305 L CB 1.142 43.197 42.059 -0.006 0.000 1.102 305 L HN 0.420 nan 8.230 nan 0.000 0.470 306 S N -0.522 115.168 115.700 -0.016 0.000 2.535 306 S HA 0.394 4.864 4.470 -0.000 0.000 0.214 306 S C 0.522 175.190 174.600 0.113 0.000 0.980 306 S CA 0.122 58.342 58.200 0.032 0.000 0.907 306 S CB 0.353 63.611 63.200 0.096 0.000 0.790 306 S HN 0.973 nan 8.310 nan 0.000 0.510 307 G N 0.103 108.982 108.800 0.131 0.000 2.315 307 G HA2 0.431 4.390 3.960 -0.000 0.000 0.294 307 G HA3 0.431 4.390 3.960 -0.000 0.000 0.294 307 G C -2.152 172.868 174.900 0.200 0.000 1.300 307 G CA -1.017 44.211 45.100 0.213 0.000 0.843 307 G HN 0.278 nan 8.290 nan 0.000 0.527 308 L N -0.080 121.275 121.223 0.220 0.000 2.354 308 L HA 0.764 5.104 4.340 -0.000 0.000 0.264 308 L C -0.061 176.842 176.870 0.054 0.000 1.008 308 L CA -1.161 53.752 54.840 0.121 0.000 0.819 308 L CB 2.367 44.515 42.059 0.149 0.000 1.339 308 L HN 0.559 nan 8.230 nan 0.000 0.420 309 R N 2.522 122.946 120.500 -0.126 0.000 2.393 309 R HA 0.578 4.918 4.340 -0.000 0.000 0.315 309 R C -1.514 174.733 176.300 -0.088 0.000 0.952 309 R CA -0.474 55.455 56.100 -0.286 0.000 0.842 309 R CB 1.207 30.961 30.300 -0.911 0.000 1.163 309 R HN 0.621 nan 8.270 nan 0.000 0.450 310 I N 3.707 124.281 120.570 0.006 0.000 2.328 310 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 310 I C 0.176 176.377 176.117 0.140 0.000 1.012 310 I CA -0.805 60.563 61.300 0.114 0.000 1.195 310 I CB 1.538 39.683 38.000 0.242 0.000 1.350 310 I HN 0.525 nan 8.210 nan 0.000 0.464 311 D N 4.485 124.958 120.400 0.123 0.000 2.382 311 D HA 0.071 4.711 4.640 -0.000 0.000 0.240 311 D C 0.537 176.890 176.300 0.089 0.000 1.146 311 D CA 0.600 54.670 54.000 0.116 0.000 0.897 311 D CB 0.743 41.626 40.800 0.138 0.000 1.197 311 D HN 0.771 nan 8.370 nan 0.000 0.432 312 T N 0.614 115.225 114.554 0.096 0.000 3.639 312 T HA -0.336 4.014 4.350 -0.000 0.000 0.386 312 T C 0.792 175.643 174.700 0.253 0.000 0.764 312 T CA 1.171 63.379 62.100 0.179 0.000 1.954 312 T CB -2.309 66.507 68.868 -0.087 0.000 1.755 312 T HN 0.539 nan 8.240 nan 0.000 0.715 313 Y N 1.767 122.115 120.300 0.081 0.000 2.097 313 Y HA 0.081 4.631 4.550 -0.000 0.000 0.282 313 Y C 2.399 178.153 175.900 -0.244 0.000 1.152 313 Y CA 2.282 60.299 58.100 -0.138 0.000 1.136 313 Y CB -0.796 37.490 38.460 -0.289 0.000 0.975 313 Y HN 0.548 nan 8.280 nan 0.000 0.498 314 G N -2.384 106.309 108.800 -0.178 0.000 2.848 314 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.208 314 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.208 314 G C 0.919 175.805 174.900 -0.022 0.000 1.152 314 G CA 0.191 45.213 45.100 -0.130 0.000 0.789 314 G HN 0.520 nan 8.290 nan 0.000 0.531 315 Y N 1.174 121.352 120.300 -0.204 0.000 2.616 315 Y HA 0.162 4.712 4.550 -0.000 0.000 0.296 315 Y C 1.690 177.458 175.900 -0.220 0.000 1.154 315 Y CA -0.003 57.845 58.100 -0.420 0.000 1.325 315 Y CB 0.213 38.491 38.460 -0.304 0.000 1.007 315 Y HN 0.030 nan 8.280 nan 0.000 0.542 316 S N -0.097 115.561 115.700 -0.071 0.000 2.646 316 S HA 0.063 4.533 4.470 -0.000 0.000 0.276 316 S C -0.506 174.120 174.600 0.042 0.000 1.222 316 S CA -0.972 57.200 58.200 -0.046 0.000 1.014 316 S CB 0.701 63.876 63.200 -0.041 0.000 0.991 316 S HN 0.247 nan 8.310 nan 0.000 0.533 317 D N 0.728 121.178 120.400 0.084 0.000 2.493 317 D HA 0.227 4.867 4.640 -0.000 0.000 0.240 317 D C 1.360 177.804 176.300 0.239 0.000 1.142 317 D CA 0.462 54.546 54.000 0.140 0.000 0.872 317 D CB 0.510 41.368 40.800 0.097 0.000 1.173 317 D HN 0.494 nan 8.370 nan 0.000 0.467 318 G N 2.969 111.905 108.800 0.226 0.000 2.402 318 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 318 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 318 G C 1.434 176.594 174.900 0.434 0.000 1.162 318 G CA 0.751 46.036 45.100 0.309 0.000 0.777 318 G HN 0.632 nan 8.290 nan 0.000 0.539 319 A N 0.562 123.569 122.820 0.312 0.000 1.898 319 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 319 A C 2.157 179.876 177.584 0.226 0.000 1.181 319 A CA 1.603 53.794 52.037 0.256 0.000 0.620 319 A CB -0.597 18.508 19.000 0.174 0.000 0.819 319 A HN 0.468 nan 8.150 nan 0.000 0.442 320 F N 0.838 120.851 119.950 0.104 0.000 2.091 320 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 320 F C 1.809 177.694 175.800 0.142 0.000 1.103 320 F CA 1.919 59.966 58.000 0.080 0.000 1.228 320 F CB -0.431 38.571 39.000 0.003 0.000 0.984 320 F HN 0.147 nan 8.300 nan 0.000 0.477 321 L N -0.333 120.827 121.223 -0.105 0.000 2.083 321 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 321 L C 2.385 179.300 176.870 0.074 0.000 1.083 321 L CA 1.786 56.537 54.840 -0.148 0.000 0.752 321 L CB -1.149 40.949 42.059 0.066 0.000 0.899 321 L HN 0.196 nan 8.230 nan 0.000 0.433 322 T N -1.090 113.562 114.554 0.163 0.000 2.708 322 T HA -0.228 4.122 4.350 -0.000 0.000 0.266 322 T C 1.782 176.543 174.700 0.101 0.000 1.037 322 T CA 1.651 63.833 62.100 0.136 0.000 1.146 322 T CB -0.098 68.790 68.868 0.033 0.000 0.865 322 T HN 0.248 nan 8.240 nan 0.000 0.435 323 E N 0.334 120.541 120.200 0.012 0.000 2.072 323 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 323 E C 1.854 178.394 176.600 -0.099 0.000 0.985 323 E CA 1.008 57.386 56.400 -0.036 0.000 0.801 323 E CB -0.489 29.211 29.700 -0.000 0.000 0.750 323 E HN 0.646 nan 8.360 nan 0.000 0.452 324 Y N 0.976 121.051 120.300 -0.375 0.000 2.145 324 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 324 Y C 2.391 178.203 175.900 -0.147 0.000 1.145 324 Y CA 2.849 60.727 58.100 -0.370 0.000 1.148 324 Y CB -0.829 37.146 38.460 -0.809 0.000 0.981 324 Y HN 0.237 nan 8.280 nan 0.000 0.507 325 T N -1.275 113.342 114.554 0.104 0.000 2.821 325 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 325 T C 2.074 176.731 174.700 -0.071 0.000 1.046 325 T CA 1.297 63.463 62.100 0.110 0.000 1.139 325 T CB -0.544 68.517 68.868 0.322 0.000 0.871 325 T HN 0.396 nan 8.240 nan 0.000 0.454 326 R N 0.844 121.231 120.500 -0.187 0.000 2.080 326 R HA -0.088 4.252 4.340 -0.000 0.000 0.236 326 R C 2.820 178.939 176.300 -0.300 0.000 1.137 326 R CA 1.157 56.946 56.100 -0.518 0.000 0.943 326 R CB -0.154 29.858 30.300 -0.479 0.000 0.846 326 R HN 0.239 nan 8.270 nan 0.000 0.431 327 R N 0.406 120.766 120.500 -0.234 0.000 2.083 327 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 327 R C 2.358 178.542 176.300 -0.193 0.000 1.137 327 R CA 1.255 57.233 56.100 -0.204 0.000 0.951 327 R CB -0.881 29.292 30.300 -0.212 0.000 0.851 327 R HN 0.227 nan 8.270 nan 0.000 0.434 328 L N 0.262 121.337 121.223 -0.247 0.000 2.017 328 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 328 L C 2.442 179.289 176.870 -0.037 0.000 1.073 328 L CA 1.475 56.230 54.840 -0.142 0.000 0.745 328 L CB -0.435 41.471 42.059 -0.256 0.000 0.894 328 L HN 0.095 nan 8.230 nan 0.000 0.432 329 M N -1.344 118.212 119.600 -0.073 0.000 2.319 329 M HA -0.018 4.461 4.480 -0.000 0.000 0.265 329 M C 2.396 178.651 176.300 -0.075 0.000 1.068 329 M CA 1.357 56.636 55.300 -0.035 0.000 1.118 329 M CB -1.536 31.054 32.600 -0.018 0.000 1.395 329 M HN 0.284 nan 8.290 nan 0.000 0.435 330 A N 0.242 122.985 122.820 -0.127 0.000 1.898 330 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 330 A C 2.141 179.623 177.584 -0.170 0.000 1.181 330 A CA 1.323 53.286 52.037 -0.124 0.000 0.620 330 A CB -0.357 18.576 19.000 -0.112 0.000 0.819 330 A HN 0.370 nan 8.150 nan 0.000 0.442 331 E N -0.998 119.038 120.200 -0.273 0.000 2.072 331 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 331 E C -0.385 175.777 176.600 -0.730 0.000 0.985 331 E CA 0.953 57.000 56.400 -0.588 0.000 0.801 331 E CB -0.194 28.973 29.700 -0.888 0.000 0.750 331 E HN 0.743 nan 8.360 nan 0.000 0.452 332 Y N -0.568 119.690 120.300 -0.070 0.000 2.705 332 Y HA 0.279 4.829 4.550 -0.000 0.000 0.355 332 Y C -1.878 173.983 175.900 -0.066 0.000 1.039 332 Y CA -2.420 55.637 58.100 -0.071 0.000 1.233 332 Y CB 1.462 39.875 38.460 -0.078 0.000 1.103 332 Y HN -0.044 nan 8.280 nan 0.000 0.624 333 P HA -0.101 nan 4.420 nan 0.000 0.221 333 P C 0.845 178.148 177.300 0.004 0.000 1.145 333 P CA 1.455 64.558 63.100 0.005 0.000 0.795 333 P CB 0.320 32.013 31.700 -0.012 0.000 0.775 334 R N -1.714 118.792 120.500 0.010 0.000 2.393 334 R HA 0.208 4.548 4.340 -0.000 0.000 0.244 334 R C 0.375 176.638 176.300 -0.061 0.000 0.920 334 R CA -0.594 55.489 56.100 -0.027 0.000 1.076 334 R CB -0.214 30.072 30.300 -0.025 0.000 1.119 334 R HN 0.180 nan 8.270 nan 0.000 0.524 335 L N 1.235 122.436 121.223 -0.036 0.000 2.473 335 L HA 0.109 4.449 4.340 -0.000 0.000 0.268 335 L C 0.003 176.749 176.870 -0.207 0.000 1.215 335 L CA 0.427 55.209 54.840 -0.096 0.000 0.823 335 L CB 0.465 42.508 42.059 -0.026 0.000 1.099 335 L HN -0.052 nan 8.230 nan 0.000 0.483 336 N N 2.880 121.346 118.700 -0.389 0.000 2.269 336 N HA 0.586 5.326 4.740 -0.000 0.000 0.304 336 N C -1.588 173.688 175.510 -0.390 0.000 1.072 336 N CA -0.423 52.256 53.050 -0.620 0.000 0.802 336 N CB 1.413 39.058 38.487 -1.402 0.000 1.348 336 N HN 0.534 nan 8.380 nan 0.000 0.484 337 M N 1.796 121.292 119.600 -0.172 0.000 2.326 337 M HA 0.325 4.805 4.480 -0.000 0.000 0.292 337 M C -1.087 175.247 176.300 0.057 0.000 1.081 337 M CA -1.068 54.262 55.300 0.051 0.000 0.919 337 M CB 2.574 35.234 32.600 0.100 0.000 1.634 337 M HN 0.153 nan 8.290 nan 0.000 0.451 338 V N 2.781 122.765 119.914 0.117 0.000 2.350 338 V HA 0.794 4.914 4.120 -0.000 0.000 0.285 338 V C -0.013 176.037 176.094 -0.074 0.000 1.014 338 V CA -0.096 62.218 62.300 0.024 0.000 0.831 338 V CB 1.397 33.256 31.823 0.058 0.000 1.000 338 V HN 0.950 nan 8.190 nan 0.000 0.433 339 G N 4.176 112.876 108.800 -0.165 0.000 2.444 339 G HA2 0.373 4.333 3.960 -0.000 0.000 0.268 339 G HA3 0.373 4.333 3.960 -0.000 0.000 0.268 339 G C -0.368 174.513 174.900 -0.031 0.000 1.203 339 G CA -0.365 44.599 45.100 -0.227 0.000 0.835 339 G HN 0.787 nan 8.290 nan 0.000 0.543 340 E N 0.991 121.271 120.200 0.133 0.000 2.028 340 E HA 0.168 4.518 4.350 -0.000 0.000 0.266 340 E C -0.838 175.995 176.600 0.388 0.000 0.962 340 E CA -0.425 56.166 56.400 0.319 0.000 0.784 340 E CB 0.779 30.669 29.700 0.317 0.000 1.114 340 E HN 0.377 nan 8.360 nan 0.000 0.414 341 E N 5.610 126.065 120.200 0.424 0.000 2.063 341 E HA 0.029 4.379 4.350 -0.000 0.000 0.265 341 E C -1.189 175.671 176.600 0.434 0.000 0.919 341 E CA -0.590 56.054 56.400 0.407 0.000 0.756 341 E CB 0.288 30.202 29.700 0.357 0.000 1.120 341 E HN 0.488 nan 8.360 nan 0.000 0.414 342 W N 6.038 127.380 121.300 0.071 0.000 2.110 342 W HA 0.342 5.002 4.660 -0.000 0.000 0.450 342 W C -0.847 175.585 176.519 -0.145 0.000 0.893 342 W CA -0.035 57.095 57.345 -0.359 0.000 1.688 342 W CB 0.031 29.328 29.460 -0.271 0.000 1.779 342 W HN 0.469 nan 8.180 nan 0.000 0.300 343 S N 2.680 118.294 115.700 -0.143 0.000 2.546 343 S HA 0.248 4.718 4.470 -0.000 0.000 0.272 343 S C 0.668 175.250 174.600 -0.030 0.000 1.140 343 S CA -0.165 58.006 58.200 -0.047 0.000 0.920 343 S CB 1.408 64.672 63.200 0.106 0.000 1.083 343 S HN 0.327 nan 8.310 nan 0.000 0.476 344 T N 1.147 115.663 114.554 -0.064 0.000 3.169 344 T HA 0.302 4.652 4.350 -0.000 0.000 0.250 344 T C 0.428 175.142 174.700 0.023 0.000 1.111 344 T CA -0.043 62.052 62.100 -0.009 0.000 1.010 344 T CB -0.301 68.538 68.868 -0.049 0.000 0.984 344 T HN 0.501 nan 8.240 nan 0.000 0.537 345 R N 0.937 121.455 120.500 0.031 0.000 2.207 345 R HA 0.444 4.784 4.340 -0.000 0.000 0.334 345 R C 0.990 177.304 176.300 0.024 0.000 1.013 345 R CA -0.429 55.680 56.100 0.015 0.000 0.858 345 R CB 1.381 31.682 30.300 0.003 0.000 1.094 345 R HN 0.003 nan 8.270 nan 0.000 0.457 346 V N 5.519 125.428 119.914 -0.009 0.000 2.278 346 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 346 V C -0.939 175.053 176.094 -0.170 0.000 1.062 346 V CA 1.882 64.140 62.300 -0.070 0.000 1.038 346 V CB -0.956 30.780 31.823 -0.145 0.000 0.646 346 V HN 0.671 nan 8.190 nan 0.000 0.447 347 P HA -0.098 nan 4.420 nan 0.000 0.218 347 P C 1.863 179.102 177.300 -0.101 0.000 1.148 347 P CA 1.184 64.186 63.100 -0.163 0.000 0.822 347 P CB -0.075 31.550 31.700 -0.124 0.000 0.784 348 V N -0.759 119.139 119.914 -0.028 0.000 2.358 348 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 348 V C 2.403 178.597 176.094 0.167 0.000 1.047 348 V CA 1.629 63.954 62.300 0.041 0.000 1.035 348 V CB -1.082 30.788 31.823 0.078 0.000 0.658 348 V HN -0.024 nan 8.190 nan 0.000 0.452 349 V N 0.383 120.429 119.914 0.219 0.000 2.323 349 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 349 V C 2.710 179.016 176.094 0.353 0.000 1.041 349 V CA 1.840 64.374 62.300 0.391 0.000 1.025 349 V CB -1.096 30.974 31.823 0.411 0.000 0.656 349 V HN 0.535 nan 8.190 nan 0.000 0.451 350 A N 0.031 122.899 122.820 0.080 0.000 2.019 350 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 350 A C 2.373 179.966 177.584 0.014 0.000 1.164 350 A CA 1.597 53.596 52.037 -0.063 0.000 0.644 350 A CB -0.630 18.023 19.000 -0.579 0.000 0.805 350 A HN 0.379 nan 8.150 nan 0.000 0.449 351 R N -0.891 119.560 120.500 -0.081 0.000 2.139 351 R HA -0.213 4.126 4.340 -0.000 0.000 0.243 351 R C 1.443 177.665 176.300 -0.131 0.000 1.145 351 R CA 1.967 57.938 56.100 -0.216 0.000 0.976 351 R CB -0.420 29.580 30.300 -0.500 0.000 0.866 351 R HN 0.776 nan 8.270 nan 0.000 0.449 352 W N 0.588 121.984 121.300 0.161 0.000 3.077 352 W HA 0.167 4.827 4.660 -0.000 0.000 0.266 352 W C 0.928 177.519 176.519 0.120 0.000 1.300 352 W CA -0.544 56.919 57.345 0.198 0.000 1.586 352 W CB 0.257 29.799 29.460 0.136 0.000 1.103 352 W HN 0.087 nan 8.180 nan 0.000 0.652 353 Q N 2.113 122.085 119.800 0.286 0.000 2.286 353 Q HA 0.108 4.448 4.340 -0.000 0.000 0.257 353 Q C 0.697 176.763 176.000 0.110 0.000 0.941 353 Q CA -0.625 55.289 55.803 0.186 0.000 0.912 353 Q CB 0.722 29.581 28.738 0.203 0.000 1.192 353 Q HN -0.041 nan 8.270 nan 0.000 0.410 354 R N 2.385 122.926 120.500 0.067 0.000 2.523 354 R HA -0.077 4.263 4.340 -0.000 0.000 0.281 354 R C 0.582 176.880 176.300 -0.003 0.000 0.969 354 R CA 1.588 57.687 56.100 -0.002 0.000 1.093 354 R CB -0.242 30.064 30.300 0.010 0.000 0.917 354 R HN 0.986 nan 8.270 nan 0.000 0.408 355 G N 2.829 111.603 108.800 -0.043 0.000 2.194 355 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.236 355 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.236 355 G C -0.111 174.782 174.900 -0.013 0.000 0.987 355 G CA 0.337 45.423 45.100 -0.025 0.000 0.635 355 G HN 0.638 nan 8.290 nan 0.000 0.520 356 K N 1.591 121.987 120.400 -0.006 0.000 2.368 356 K HA 0.668 4.988 4.320 -0.000 0.000 0.282 356 K C 0.517 177.106 176.600 -0.019 0.000 1.035 356 K CA 0.514 56.802 56.287 0.002 0.000 0.973 356 K CB 0.789 33.298 32.500 0.016 0.000 0.957 356 K HN 0.837 nan 8.250 nan 0.000 0.474 357 A N 5.141 127.956 122.820 -0.009 0.000 2.415 357 A HA 0.271 4.591 4.320 -0.000 0.000 0.309 357 A C -0.684 176.899 177.584 -0.001 0.000 1.356 357 A CA -0.566 51.464 52.037 -0.013 0.000 0.998 357 A CB -0.569 18.430 19.000 -0.001 0.000 1.145 357 A HN 0.937 nan 8.150 nan 0.000 0.545 358 N N 0.916 119.603 118.700 -0.022 0.000 2.509 358 N HA 0.406 5.146 4.740 -0.000 0.000 0.287 358 N C 0.798 176.279 175.510 -0.049 0.000 1.121 358 N CA -0.477 52.560 53.050 -0.021 0.000 0.977 358 N CB 0.705 39.151 38.487 -0.067 0.000 1.167 358 N HN 0.680 nan 8.380 nan 0.000 0.476 359 F N 0.771 120.686 119.950 -0.057 0.000 2.269 359 F HA -0.062 4.465 4.527 -0.000 0.000 0.301 359 F C 1.360 177.132 175.800 -0.048 0.000 1.082 359 F CA 0.757 58.722 58.000 -0.058 0.000 1.360 359 F CB -0.248 38.702 39.000 -0.083 0.000 1.041 359 F HN 0.418 nan 8.300 nan 0.000 0.512 360 D N -0.824 118.904 120.400 -1.120 0.000 2.349 360 D HA 0.190 4.830 4.640 -0.000 0.000 0.214 360 D C 1.864 177.963 176.300 -0.334 0.000 1.063 360 D CA 0.425 53.944 54.000 -0.801 0.000 0.847 360 D CB -0.230 39.938 40.800 -1.053 0.000 0.933 360 D HN 0.505 nan 8.370 nan 0.000 0.513 361 G N 0.158 108.820 108.800 -0.230 0.000 2.162 361 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 361 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 361 G C -0.063 174.781 174.900 -0.095 0.000 0.976 361 G CA 0.167 45.192 45.100 -0.124 0.000 0.655 361 G HN 0.503 nan 8.290 nan 0.000 0.533 362 Y N 2.486 122.659 120.300 -0.213 0.000 2.632 362 Y HA 0.437 4.987 4.550 -0.000 0.000 0.329 362 Y C 0.631 176.465 175.900 -0.110 0.000 1.174 362 Y CA 1.085 59.092 58.100 -0.156 0.000 1.469 362 Y CB 0.596 38.932 38.460 -0.206 0.000 1.242 362 Y HN 0.113 nan 8.280 nan 0.000 0.540 363 T N 5.689 119.759 114.554 -0.808 0.000 2.797 363 T HA 0.432 4.782 4.350 -0.000 0.000 0.279 363 T C -0.846 173.403 174.700 -0.753 0.000 0.991 363 T CA -0.740 60.997 62.100 -0.606 0.000 0.979 363 T CB 1.211 69.860 68.868 -0.366 0.000 0.943 363 T HN 0.581 nan 8.240 nan 0.000 0.444 364 S N 0.913 116.350 115.700 -0.438 0.000 2.568 364 S HA 0.454 4.924 4.470 -0.000 0.000 0.293 364 S C -0.511 173.907 174.600 -0.304 0.000 1.089 364 S CA -0.663 57.435 58.200 -0.170 0.000 0.945 364 S CB 0.815 64.146 63.200 0.218 0.000 1.077 364 S HN 0.810 nan 8.310 nan 0.000 0.485 365 H N 1.820 120.933 119.070 0.072 0.000 2.542 365 H HA 0.370 4.926 4.556 -0.000 0.000 0.283 365 H C -0.227 175.145 175.328 0.073 0.000 1.059 365 H CA -0.322 55.756 56.048 0.051 0.000 1.162 365 H CB 0.311 30.085 29.762 0.020 0.000 1.539 365 H HN 0.286 nan 8.280 nan 0.000 0.543 366 L N 2.752 124.085 121.223 0.183 0.000 2.433 366 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 366 L C -1.810 175.089 176.870 0.049 0.000 1.128 366 L CA -1.656 53.255 54.840 0.118 0.000 0.875 366 L CB 1.065 43.160 42.059 0.060 0.000 1.171 366 L HN -0.053 nan 8.230 nan 0.000 0.463 367 P HA -0.018 nan 4.420 nan 0.000 0.221 367 P C -0.303 176.973 177.300 -0.040 0.000 1.150 367 P CA 0.624 63.707 63.100 -0.029 0.000 0.800 367 P CB 0.354 32.000 31.700 -0.089 0.000 0.787 368 S N -1.742 113.931 115.700 -0.044 0.000 2.588 368 S HA 0.688 5.158 4.470 -0.000 0.000 0.275 368 S C -1.686 172.888 174.600 -0.043 0.000 1.130 368 S CA -0.621 57.556 58.200 -0.038 0.000 0.855 368 S CB 0.382 63.573 63.200 -0.016 0.000 1.116 368 S HN -0.216 nan 8.310 nan 0.000 0.472 369 L N 2.381 123.590 121.223 -0.025 0.000 2.359 369 L HA 0.637 4.977 4.340 -0.000 0.000 0.256 369 L C -0.545 176.323 176.870 -0.003 0.000 1.026 369 L CA -0.761 54.077 54.840 -0.003 0.000 0.828 369 L CB 1.709 43.826 42.059 0.097 0.000 1.406 369 L HN 0.555 nan 8.230 nan 0.000 0.413 370 M N 1.259 120.862 119.600 0.004 0.000 2.217 370 M HA 0.078 4.558 4.480 -0.000 0.000 0.352 370 M C -0.084 176.185 176.300 -0.052 0.000 1.376 370 M CA -0.032 55.216 55.300 -0.087 0.000 1.107 370 M CB 0.106 32.481 32.600 -0.376 0.000 1.723 370 M HN 0.418 nan 8.290 nan 0.000 0.461 371 D N 3.190 123.578 120.400 -0.019 0.000 2.845 371 D HA 0.096 4.735 4.640 -0.000 0.000 0.235 371 D C 0.789 177.018 176.300 -0.118 0.000 1.158 371 D CA -0.068 53.897 54.000 -0.060 0.000 0.990 371 D CB -0.321 40.406 40.800 -0.121 0.000 1.094 371 D HN 0.333 nan 8.370 nan 0.000 0.486 372 F N 0.811 120.846 119.950 0.141 0.000 2.126 372 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 372 F C -0.492 175.268 175.800 -0.066 0.000 1.096 372 F CA 0.750 58.763 58.000 0.021 0.000 1.255 372 F CB -1.486 37.481 39.000 -0.055 0.000 0.997 372 F HN 0.322 nan 8.300 nan 0.000 0.479 373 P HA -0.176 nan 4.420 nan 0.000 0.215 373 P C 1.934 179.256 177.300 0.036 0.000 1.153 373 P CA 1.157 64.307 63.100 0.084 0.000 0.853 373 P CB 0.005 31.772 31.700 0.112 0.000 0.788 374 L N -0.909 120.331 121.223 0.028 0.000 2.131 374 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 374 L C 2.153 179.025 176.870 0.003 0.000 1.087 374 L CA 1.537 56.405 54.840 0.047 0.000 0.767 374 L CB -1.078 41.030 42.059 0.082 0.000 0.917 374 L HN -0.210 nan 8.230 nan 0.000 0.441 375 V N -0.197 119.635 119.914 -0.138 0.000 2.295 375 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 375 V C 2.300 178.328 176.094 -0.110 0.000 1.049 375 V CA 2.023 64.184 62.300 -0.231 0.000 1.024 375 V CB -0.728 30.708 31.823 -0.644 0.000 0.648 375 V HN 0.535 nan 8.190 nan 0.000 0.447 376 D N 0.145 120.505 120.400 -0.066 0.000 2.097 376 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 376 D C 2.115 178.381 176.300 -0.056 0.000 0.989 376 D CA 1.546 55.519 54.000 -0.045 0.000 0.827 376 D CB -0.176 40.603 40.800 -0.035 0.000 0.966 376 D HN 0.369 nan 8.370 nan 0.000 0.456 377 A N 0.007 122.793 122.820 -0.057 0.000 1.883 377 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 377 A C 2.186 179.689 177.584 -0.136 0.000 1.186 377 A CA 2.142 54.130 52.037 -0.081 0.000 0.624 377 A CB -0.814 18.146 19.000 -0.066 0.000 0.822 377 A HN 0.398 nan 8.150 nan 0.000 0.444 378 M N -0.281 119.213 119.600 -0.176 0.000 2.175 378 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 378 M C 1.990 178.197 176.300 -0.155 0.000 1.063 378 M CA 1.454 56.590 55.300 -0.273 0.000 1.119 378 M CB -0.502 31.823 32.600 -0.458 0.000 1.377 378 M HN 0.378 nan 8.290 nan 0.000 0.415 379 R N -0.358 120.086 120.500 -0.094 0.000 2.092 379 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 379 R C 1.867 178.140 176.300 -0.044 0.000 1.119 379 R CA 1.455 57.528 56.100 -0.046 0.000 0.970 379 R CB -0.574 29.714 30.300 -0.021 0.000 0.864 379 R HN 0.457 nan 8.270 nan 0.000 0.440 380 N N 0.948 119.614 118.700 -0.056 0.000 2.084 380 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 380 N C 1.671 177.145 175.510 -0.060 0.000 1.030 380 N CA 1.599 54.618 53.050 -0.050 0.000 0.849 380 N CB -0.413 38.043 38.487 -0.052 0.000 1.012 380 N HN 0.200 nan 8.380 nan 0.000 0.423 381 A N 0.879 123.644 122.820 -0.092 0.000 1.933 381 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 381 A C 2.306 179.851 177.584 -0.065 0.000 1.175 381 A CA 0.989 52.967 52.037 -0.098 0.000 0.628 381 A CB -0.582 18.322 19.000 -0.159 0.000 0.814 381 A HN 0.234 nan 8.150 nan 0.000 0.444 382 L N -0.099 121.090 121.223 -0.057 0.000 2.270 382 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 382 L C 2.849 179.713 176.870 -0.009 0.000 1.104 382 L CA 1.225 56.050 54.840 -0.024 0.000 0.804 382 L CB -0.231 41.821 42.059 -0.012 0.000 0.937 382 L HN 0.594 nan 8.230 nan 0.000 0.450 383 S N -0.747 114.945 115.700 -0.014 0.000 2.421 383 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 383 S C 1.244 175.839 174.600 -0.009 0.000 1.035 383 S CA 0.119 58.315 58.200 -0.007 0.000 0.953 383 S CB -0.227 62.970 63.200 -0.005 0.000 0.810 383 S HN 0.226 nan 8.310 nan 0.000 0.497 384 K N 3.197 123.588 120.400 -0.015 0.000 2.449 384 K HA 0.131 4.451 4.320 -0.000 0.000 0.237 384 K C 0.884 177.478 176.600 -0.011 0.000 1.265 384 K CA 0.393 56.672 56.287 -0.013 0.000 1.193 384 K CB -0.291 32.197 32.500 -0.019 0.000 1.515 384 K HN 0.608 nan 8.250 nan 0.000 0.259 385 T N -3.180 111.371 114.554 -0.005 0.000 3.113 385 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 385 T C 1.789 176.490 174.700 0.001 0.000 1.143 385 T CA 0.799 62.898 62.100 -0.000 0.000 1.090 385 T CB 0.146 69.017 68.868 0.005 0.000 0.922 385 T HN 0.409 nan 8.240 nan 0.000 0.521 386 G N 0.850 109.649 108.800 -0.001 0.000 2.683 386 G HA2 0.105 4.065 3.960 -0.000 0.000 0.213 386 G HA3 0.105 4.065 3.960 -0.000 0.000 0.213 386 G C 0.450 175.348 174.900 -0.003 0.000 1.142 386 G CA -0.157 44.942 45.100 -0.001 0.000 0.793 386 G HN 0.638 nan 8.290 nan 0.000 0.534 387 E N 0.716 120.912 120.200 -0.007 0.000 2.331 387 E HA 0.213 4.563 4.350 -0.000 0.000 0.272 387 E C 1.036 177.630 176.600 -0.009 0.000 1.036 387 E CA -0.219 56.175 56.400 -0.010 0.000 0.864 387 E CB 0.808 30.498 29.700 -0.017 0.000 1.035 387 E HN 0.247 nan 8.360 nan 0.000 0.408 388 E N 2.775 122.970 120.200 -0.008 0.000 2.208 388 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 388 E C 0.163 176.758 176.600 -0.009 0.000 0.988 388 E CA 0.746 57.143 56.400 -0.005 0.000 0.828 388 E CB 0.114 29.813 29.700 -0.002 0.000 0.763 388 E HN 0.413 nan 8.360 nan 0.000 0.478 389 N N -0.956 117.732 118.700 -0.020 0.000 2.604 389 N HA 0.083 4.823 4.740 -0.000 0.000 0.284 389 N C 0.480 175.955 175.510 -0.058 0.000 1.716 389 N CA 0.150 53.180 53.050 -0.034 0.000 0.859 389 N CB 0.598 39.067 38.487 -0.030 0.000 1.403 389 N HN 0.045 nan 8.380 nan 0.000 0.501 390 G N 0.038 108.804 108.800 -0.057 0.000 2.450 390 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 390 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 390 G C 1.306 176.130 174.900 -0.128 0.000 1.130 390 G CA 0.577 45.632 45.100 -0.075 0.000 0.760 390 G HN 0.427 nan 8.290 nan 0.000 0.557 391 L N 0.349 121.476 121.223 -0.159 0.000 2.261 391 L HA -0.112 4.228 4.340 -0.000 0.000 0.216 391 L C 2.583 179.226 176.870 -0.378 0.000 1.114 391 L CA 0.774 55.436 54.840 -0.297 0.000 0.777 391 L CB -0.347 41.546 42.059 -0.277 0.000 0.910 391 L HN 0.220 nan 8.230 nan 0.000 0.440 392 N N 0.399 118.965 118.700 -0.223 0.000 2.192 392 N HA -0.268 4.472 4.740 -0.000 0.000 0.188 392 N C 1.766 177.228 175.510 -0.080 0.000 1.013 392 N CA 1.305 54.282 53.050 -0.121 0.000 0.863 392 N CB 0.044 38.508 38.487 -0.039 0.000 0.990 392 N HN 0.330 nan 8.380 nan 0.000 0.430 393 E N -0.818 119.310 120.200 -0.119 0.000 2.110 393 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 393 E C 1.604 178.127 176.600 -0.127 0.000 0.988 393 E CA 0.926 57.267 56.400 -0.099 0.000 0.804 393 E CB 0.160 29.803 29.700 -0.094 0.000 0.745 393 E HN 0.195 nan 8.360 nan 0.000 0.458 394 V N 0.442 120.215 119.914 -0.234 0.000 2.323 394 V HA -0.238 3.881 4.120 -0.000 0.000 0.244 394 V C 2.063 178.059 176.094 -0.163 0.000 1.041 394 V CA 1.924 64.074 62.300 -0.251 0.000 1.025 394 V CB -0.803 30.714 31.823 -0.510 0.000 0.656 394 V HN 0.413 nan 8.190 nan 0.000 0.451 395 Y N 1.653 121.652 120.300 -0.501 0.000 2.081 395 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 395 Y C 2.512 178.383 175.900 -0.048 0.000 1.163 395 Y CA 2.290 60.209 58.100 -0.302 0.000 1.135 395 Y CB -0.348 37.810 38.460 -0.503 0.000 0.970 395 Y HN 0.353 nan 8.280 nan 0.000 0.498 396 E N -0.804 119.260 120.200 -0.227 0.000 2.106 396 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 396 E C 2.095 178.628 176.600 -0.111 0.000 0.984 396 E CA 1.613 57.860 56.400 -0.256 0.000 0.806 396 E CB -0.224 29.411 29.700 -0.108 0.000 0.750 396 E HN 0.507 nan 8.360 nan 0.000 0.458 397 T N 1.887 116.412 114.554 -0.048 0.000 2.708 397 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 397 T C 1.977 176.706 174.700 0.049 0.000 1.037 397 T CA 0.758 62.859 62.100 0.003 0.000 1.146 397 T CB -0.222 68.658 68.868 0.020 0.000 0.865 397 T HN 0.098 nan 8.240 nan 0.000 0.435 398 L N 1.482 122.768 121.223 0.106 0.000 2.079 398 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 398 L C 2.852 179.796 176.870 0.124 0.000 1.081 398 L CA 1.549 56.488 54.840 0.164 0.000 0.752 398 L CB -0.574 41.681 42.059 0.326 0.000 0.896 398 L HN 0.414 nan 8.230 nan 0.000 0.433 399 S N -0.246 115.514 115.700 0.099 0.000 2.442 399 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 399 S C 1.648 176.328 174.600 0.133 0.000 1.007 399 S CA 0.798 59.051 58.200 0.087 0.000 0.965 399 S CB -0.540 62.621 63.200 -0.064 0.000 0.773 399 S HN 0.472 nan 8.310 nan 0.000 0.504 400 L N 1.007 122.236 121.223 0.010 0.000 2.627 400 L HA 0.171 4.510 4.340 -0.000 0.000 0.233 400 L C 1.464 178.129 176.870 -0.342 0.000 1.144 400 L CA 0.144 54.847 54.840 -0.229 0.000 0.892 400 L CB -0.486 41.446 42.059 -0.211 0.000 1.039 400 L HN 0.147 nan 8.230 nan 0.000 0.442 401 D N 0.202 120.583 120.400 -0.032 0.000 2.263 401 D HA -0.210 4.430 4.640 -0.000 0.000 0.208 401 D C 1.928 178.260 176.300 0.053 0.000 0.971 401 D CA 1.060 55.126 54.000 0.109 0.000 0.867 401 D CB -0.011 40.856 40.800 0.112 0.000 0.929 401 D HN 0.569 nan 8.370 nan 0.000 0.492 402 Y N -0.585 119.749 120.300 0.056 0.000 2.483 402 Y HA -0.016 4.534 4.550 -0.000 0.000 0.291 402 Y C 1.760 177.659 175.900 -0.002 0.000 1.143 402 Y CA 0.499 58.616 58.100 0.028 0.000 1.289 402 Y CB -0.817 37.645 38.460 0.004 0.000 0.983 402 Y HN -0.056 nan 8.280 nan 0.000 0.556 403 L N -0.734 120.085 121.223 -0.674 0.000 2.275 403 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 403 L C -0.015 176.659 176.870 -0.326 0.000 1.119 403 L CA 0.432 54.962 54.840 -0.516 0.000 0.790 403 L CB -0.401 41.227 42.059 -0.719 0.000 0.919 403 L HN 0.201 nan 8.230 nan 0.000 0.443 404 Y N -0.579 119.661 120.300 -0.099 0.000 2.320 404 Y HA 0.215 4.765 4.550 -0.000 0.000 0.334 404 Y C -1.348 174.544 175.900 -0.012 0.000 1.055 404 Y CA -2.515 55.562 58.100 -0.039 0.000 1.143 404 Y CB 0.285 38.724 38.460 -0.035 0.000 1.193 404 Y HN -0.174 nan 8.280 nan 0.000 0.477 405 P HA -0.127 nan 4.420 nan 0.000 0.218 405 P C -0.308 177.038 177.300 0.077 0.000 1.149 405 P CA 1.568 64.724 63.100 0.092 0.000 0.817 405 P CB 0.507 32.245 31.700 0.063 0.000 0.785 406 E N -1.823 118.424 120.200 0.077 0.000 3.284 406 E HA 0.135 4.485 4.350 -0.000 0.000 0.277 406 E C -2.107 174.470 176.600 -0.038 0.000 1.218 406 E CA -1.384 55.025 56.400 0.014 0.000 0.925 406 E CB 0.998 30.693 29.700 -0.008 0.000 1.409 406 E HN 0.241 nan 8.360 nan 0.000 0.388 407 P HA -0.217 nan 4.420 nan 0.000 0.220 407 P C 1.399 178.596 177.300 -0.172 0.000 1.148 407 P CA 1.168 64.158 63.100 -0.183 0.000 0.803 407 P CB 0.336 31.999 31.700 -0.063 0.000 0.782 408 Q N -0.241 119.499 119.800 -0.099 0.000 2.437 408 Q HA -0.106 4.234 4.340 -0.000 0.000 0.210 408 Q C 0.960 176.913 176.000 -0.079 0.000 0.972 408 Q CA 1.320 57.071 55.803 -0.086 0.000 0.903 408 Q CB -1.124 27.578 28.738 -0.062 0.000 0.967 408 Q HN 0.200 nan 8.270 nan 0.000 0.486 409 N N 0.392 119.040 118.700 -0.087 0.000 2.353 409 N HA 0.194 4.933 4.740 -0.000 0.000 0.185 409 N C 0.139 175.608 175.510 -0.069 0.000 1.098 409 N CA 0.049 53.055 53.050 -0.074 0.000 0.872 409 N CB 0.280 38.719 38.487 -0.080 0.000 0.970 409 N HN 0.245 nan 8.380 nan 0.000 0.467 410 L N 0.848 121.995 121.223 -0.128 0.000 2.439 410 L HA 0.136 4.475 4.340 -0.000 0.000 0.269 410 L C 0.228 177.067 176.870 -0.051 0.000 1.179 410 L CA -0.322 54.434 54.840 -0.139 0.000 0.828 410 L CB 0.782 42.654 42.059 -0.312 0.000 1.106 410 L HN -0.239 nan 8.230 nan 0.000 0.467 411 V N 4.121 124.036 119.914 0.001 0.000 2.385 411 V HA 0.190 4.310 4.120 -0.000 0.000 0.269 411 V C 0.068 176.225 176.094 0.104 0.000 1.043 411 V CA -0.342 62.002 62.300 0.073 0.000 0.906 411 V CB 1.318 33.189 31.823 0.081 0.000 0.995 411 V HN 0.365 nan 8.190 nan 0.000 0.467 412 L N 7.618 128.881 121.223 0.067 0.000 2.322 412 L HA 0.782 5.122 4.340 -0.000 0.000 0.279 412 L C -0.627 176.310 176.870 0.111 0.000 1.036 412 L CA 0.015 54.836 54.840 -0.032 0.000 0.807 412 L CB 1.194 43.182 42.059 -0.118 0.000 1.226 412 L HN 0.576 nan 8.230 nan 0.000 0.433 413 F N 1.114 121.077 119.950 0.021 0.000 2.599 413 F HA 0.711 5.238 4.527 -0.000 0.000 0.311 413 F C 0.873 176.728 175.800 0.092 0.000 1.076 413 F CA -0.589 57.455 58.000 0.073 0.000 0.937 413 F CB 1.152 40.179 39.000 0.045 0.000 1.282 413 F HN 0.442 nan 8.300 nan 0.000 0.460 414 G N -0.039 108.920 108.800 0.265 0.000 2.421 414 G HA2 0.408 4.368 3.960 -0.000 0.000 0.217 414 G HA3 0.408 4.368 3.960 -0.000 0.000 0.217 414 G C 0.367 175.380 174.900 0.189 0.000 1.143 414 G CA 0.482 45.675 45.100 0.155 0.000 0.784 414 G HN 1.328 nan 8.290 nan 0.000 0.541 415 G N -0.811 108.190 108.800 0.335 0.000 2.342 415 G HA2 0.473 4.433 3.960 -0.000 0.000 0.297 415 G HA3 0.473 4.433 3.960 -0.000 0.000 0.297 415 G C -1.646 173.333 174.900 0.132 0.000 1.313 415 G CA -0.035 45.251 45.100 0.309 0.000 0.830 415 G HN 0.830 nan 8.290 nan 0.000 0.506 416 N N -3.128 115.450 118.700 -0.202 0.000 3.378 416 N HA 0.264 5.004 4.740 -0.000 0.000 0.294 416 N C 0.621 175.549 175.510 -0.969 0.000 1.544 416 N CA -0.034 52.610 53.050 -0.678 0.000 0.872 416 N CB 0.125 38.435 38.487 -0.295 0.000 1.670 416 N HN 0.713 nan 8.380 nan 0.000 0.551 417 H N -1.900 116.588 119.070 -0.970 0.000 2.556 417 H HA 0.234 4.790 4.556 -0.000 0.000 0.268 417 H C -0.707 174.633 175.328 0.021 0.000 0.996 417 H CA 0.675 56.478 56.048 -0.409 0.000 1.157 417 H CB -0.236 29.443 29.762 -0.139 0.000 1.355 417 H HN 0.523 nan 8.280 nan 0.000 0.597 418 D N 0.578 120.743 120.400 -0.391 0.000 2.433 418 D HA 0.141 4.781 4.640 -0.000 0.000 0.211 418 D C 1.012 177.268 176.300 -0.073 0.000 1.114 418 D CA 0.130 54.019 54.000 -0.185 0.000 0.837 418 D CB 0.835 41.443 40.800 -0.320 0.000 0.984 418 D HN 0.558 nan 8.370 nan 0.000 0.505 419 M N -1.608 117.724 119.600 -0.445 0.000 2.664 419 M HA 0.729 5.209 4.480 -0.000 0.000 0.279 419 M C -0.892 174.745 176.300 -1.105 0.000 1.275 419 M CA -1.186 53.769 55.300 -0.575 0.000 0.829 419 M CB 2.106 34.684 32.600 -0.035 0.000 1.727 419 M HN -0.253 nan 8.290 nan 0.000 0.459 420 A N 1.613 124.035 122.820 -0.665 0.000 2.555 420 A HA 0.298 4.618 4.320 -0.000 0.000 0.233 420 A C 0.160 177.697 177.584 -0.078 0.000 1.060 420 A CA -0.141 51.718 52.037 -0.297 0.000 0.759 420 A CB 0.118 19.121 19.000 0.005 0.000 0.995 420 A HN 0.772 nan 8.150 nan 0.000 0.506 421 R N 1.809 122.381 120.500 0.120 0.000 2.585 421 R HA -0.030 4.309 4.340 -0.000 0.000 0.275 421 R C 1.462 177.895 176.300 0.222 0.000 1.018 421 R CA 0.280 56.509 56.100 0.216 0.000 1.072 421 R CB 0.040 30.501 30.300 0.268 0.000 0.953 421 R HN 0.999 nan 8.270 nan 0.000 0.419 422 M N 2.900 122.661 119.600 0.268 0.000 2.089 422 M HA -0.271 4.209 4.480 -0.000 0.000 0.257 422 M C 1.492 178.073 176.300 0.469 0.000 1.071 422 M CA 2.037 57.534 55.300 0.329 0.000 1.096 422 M CB -0.179 32.631 32.600 0.350 0.000 1.330 422 M HN 0.569 nan 8.290 nan 0.000 0.403 423 F N 0.543 120.670 119.950 0.296 0.000 2.146 423 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 423 F C 2.355 178.254 175.800 0.164 0.000 1.096 423 F CA 1.822 59.954 58.000 0.219 0.000 1.275 423 F CB -0.698 38.306 39.000 0.006 0.000 1.008 423 F HN 0.158 nan 8.300 nan 0.000 0.480 424 S N 0.232 115.992 115.700 0.100 0.000 2.382 424 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 424 S C 2.311 176.914 174.600 0.003 0.000 1.027 424 S CA 0.982 59.175 58.200 -0.013 0.000 0.991 424 S CB -0.783 62.466 63.200 0.082 0.000 0.823 424 S HN 0.486 nan 8.310 nan 0.000 0.469 425 A N 1.064 123.930 122.820 0.076 0.000 2.019 425 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 425 A C 2.008 179.621 177.584 0.048 0.000 1.164 425 A CA 1.436 53.511 52.037 0.064 0.000 0.644 425 A CB -0.591 18.460 19.000 0.085 0.000 0.805 425 A HN 0.496 nan 8.150 nan 0.000 0.449 426 A N -1.471 121.390 122.820 0.067 0.000 2.302 426 A HA 0.433 4.753 4.320 -0.000 0.000 0.219 426 A C 1.654 179.213 177.584 -0.042 0.000 1.243 426 A CA 0.973 53.048 52.037 0.064 0.000 0.856 426 A CB -1.117 18.018 19.000 0.225 0.000 0.893 426 A HN 1.809 nan 8.150 nan 0.000 0.491 427 G N -0.297 108.442 108.800 -0.101 0.000 2.179 427 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 427 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 427 G C 0.110 174.850 174.900 -0.266 0.000 1.010 427 G CA 0.531 45.552 45.100 -0.132 0.000 0.736 427 G HN 0.887 nan 8.290 nan 0.000 0.513 428 E N -1.093 118.741 120.200 -0.610 0.000 2.637 428 E HA -0.210 4.140 4.350 -0.000 0.000 0.265 428 E C -0.045 176.245 176.600 -0.517 0.000 1.073 428 E CA 0.987 56.621 56.400 -1.276 0.000 0.778 428 E CB -0.766 28.530 29.700 -0.673 0.000 1.362 428 E HN 0.616 nan 8.360 nan 0.000 0.413 429 D N -0.273 120.029 120.400 -0.165 0.000 2.412 429 D HA 0.094 4.734 4.640 -0.000 0.000 0.224 429 D C 0.397 176.951 176.300 0.424 0.000 1.093 429 D CA -0.392 53.697 54.000 0.148 0.000 0.850 429 D CB 0.365 41.220 40.800 0.092 0.000 1.046 429 D HN -0.001 nan 8.370 nan 0.000 0.507 430 F N 3.861 124.054 119.950 0.406 0.000 2.161 430 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 430 F C 1.573 177.617 175.800 0.407 0.000 1.089 430 F CA 1.473 59.742 58.000 0.449 0.000 1.282 430 F CB 0.315 39.455 39.000 0.234 0.000 1.010 430 F HN 0.368 nan 8.300 nan 0.000 0.485 431 D N -0.129 120.429 120.400 0.263 0.000 2.117 431 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 431 D C 2.385 178.737 176.300 0.087 0.000 0.982 431 D CA 1.108 55.175 54.000 0.113 0.000 0.828 431 D CB -0.320 40.564 40.800 0.139 0.000 0.967 431 D HN 0.364 nan 8.370 nan 0.000 0.464 432 R N -0.242 120.342 120.500 0.140 0.000 2.092 432 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 432 R C 2.180 178.573 176.300 0.154 0.000 1.119 432 R CA 0.832 57.002 56.100 0.117 0.000 0.970 432 R CB -0.354 30.007 30.300 0.102 0.000 0.864 432 R HN 0.261 nan 8.270 nan 0.000 0.440 433 W N 2.183 123.517 121.300 0.057 0.000 2.335 433 W HA -0.198 4.462 4.660 -0.000 0.000 0.311 433 W C 1.937 178.445 176.519 -0.017 0.000 1.213 433 W CA 1.469 58.869 57.345 0.092 0.000 1.274 433 W CB -0.063 29.547 29.460 0.250 0.000 1.148 433 W HN -0.112 nan 8.180 nan 0.000 0.498 434 R N -0.459 120.008 120.500 -0.056 0.000 2.091 434 R HA -0.220 4.120 4.340 -0.000 0.000 0.238 434 R C 2.318 178.510 176.300 -0.180 0.000 1.136 434 R CA 2.338 58.289 56.100 -0.248 0.000 0.959 434 R CB -0.757 29.417 30.300 -0.211 0.000 0.856 434 R HN 0.308 nan 8.270 nan 0.000 0.437 435 M N -0.053 119.503 119.600 -0.073 0.000 2.080 435 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 435 M C 2.113 178.426 176.300 0.021 0.000 1.068 435 M CA 1.726 57.026 55.300 -0.002 0.000 1.109 435 M CB -0.538 32.081 32.600 0.031 0.000 1.342 435 M HN 0.275 nan 8.290 nan 0.000 0.405 436 N N 0.459 119.127 118.700 -0.053 0.000 2.120 436 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 436 N C 1.702 177.211 175.510 -0.002 0.000 1.024 436 N CA 0.801 53.843 53.050 -0.014 0.000 0.852 436 N CB 0.097 38.539 38.487 -0.074 0.000 1.003 436 N HN 0.124 nan 8.380 nan 0.000 0.424 437 L N 0.657 121.719 121.223 -0.268 0.000 2.027 437 L HA -0.057 4.282 4.340 -0.000 0.000 0.206 437 L C 2.042 178.894 176.870 -0.030 0.000 1.074 437 L CA 1.252 55.944 54.840 -0.246 0.000 0.745 437 L CB -0.582 41.101 42.059 -0.626 0.000 0.898 437 L HN 0.009 nan 8.230 nan 0.000 0.433 438 V N -0.398 119.507 119.914 -0.015 0.000 2.332 438 V HA -0.322 3.797 4.120 -0.000 0.000 0.248 438 V C 2.346 178.564 176.094 0.207 0.000 1.055 438 V CA 2.158 64.502 62.300 0.073 0.000 1.038 438 V CB -0.916 30.924 31.823 0.028 0.000 0.651 438 V HN 0.554 nan 8.190 nan 0.000 0.450 439 F N 0.596 120.610 119.950 0.106 0.000 2.095 439 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 439 F C 2.103 177.980 175.800 0.129 0.000 1.104 439 F CA 2.112 60.223 58.000 0.185 0.000 1.232 439 F CB -0.457 38.653 39.000 0.183 0.000 0.987 439 F HN 0.142 nan 8.300 nan 0.000 0.475 440 L N 0.248 121.543 121.223 0.119 0.000 2.042 440 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 440 L C 1.970 178.850 176.870 0.017 0.000 1.076 440 L CA 1.866 56.717 54.840 0.019 0.000 0.749 440 L CB -0.700 41.456 42.059 0.163 0.000 0.893 440 L HN 0.193 nan 8.230 nan 0.000 0.432 441 M N -1.173 118.480 119.600 0.088 0.000 2.595 441 M HA 0.074 4.554 4.480 -0.000 0.000 0.248 441 M C 1.522 177.907 176.300 0.141 0.000 1.119 441 M CA 1.194 56.570 55.300 0.127 0.000 1.079 441 M CB -1.143 31.566 32.600 0.182 0.000 1.472 441 M HN 0.584 nan 8.290 nan 0.000 0.501 442 T N -4.346 110.270 114.554 0.102 0.000 2.975 442 T HA 0.265 4.615 4.350 -0.000 0.000 0.261 442 T C 0.885 175.598 174.700 0.020 0.000 0.984 442 T CA -0.275 61.904 62.100 0.133 0.000 0.911 442 T CB 0.583 69.613 68.868 0.271 0.000 1.127 442 T HN -0.049 nan 8.240 nan 0.000 0.514 443 M N 3.294 122.797 119.600 -0.162 0.000 2.250 443 M HA 0.247 4.727 4.480 -0.000 0.000 0.325 443 M C -2.259 173.946 176.300 -0.158 0.000 1.084 443 M CA -2.263 52.867 55.300 -0.284 0.000 1.161 443 M CB -0.055 32.223 32.600 -0.537 0.000 1.481 443 M HN -0.020 nan 8.290 nan 0.000 0.449 444 P HA 0.192 nan 4.420 nan 0.000 0.244 444 P C -0.596 176.639 177.300 -0.109 0.000 1.769 444 P CA 0.235 63.273 63.100 -0.104 0.000 1.102 444 P CB 0.143 31.782 31.700 -0.101 0.000 1.937 445 R N 1.414 121.858 120.500 -0.092 0.000 2.766 445 R HA 0.522 4.862 4.340 -0.000 0.000 0.270 445 R C -0.164 176.120 176.300 -0.028 0.000 1.035 445 R CA -1.158 54.892 56.100 -0.083 0.000 0.911 445 R CB 1.149 31.378 30.300 -0.118 0.000 1.243 445 R HN 0.210 nan 8.270 nan 0.000 0.460 446 I N 4.054 124.628 120.570 0.006 0.000 2.301 446 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 446 I C -1.905 174.266 176.117 0.091 0.000 1.046 446 I CA -1.801 59.538 61.300 0.065 0.000 1.282 446 I CB 1.365 39.446 38.000 0.135 0.000 1.409 446 I HN 0.057 nan 8.210 nan 0.000 0.484 447 P HA 0.107 nan 4.420 nan 0.000 0.279 447 P C -1.206 176.257 177.300 0.272 0.000 1.239 447 P CA -0.359 62.845 63.100 0.173 0.000 0.789 447 P CB 1.386 33.186 31.700 0.167 0.000 0.933 448 Q N 3.010 123.014 119.800 0.339 0.000 2.372 448 Q HA 0.489 4.829 4.340 -0.000 0.000 0.273 448 Q C -2.229 174.060 176.000 0.482 0.000 1.078 448 Q CA -0.751 55.285 55.803 0.388 0.000 0.806 448 Q CB 2.026 30.961 28.738 0.328 0.000 1.332 448 Q HN 0.420 nan 8.270 nan 0.000 0.435 449 F N 2.912 122.996 119.950 0.222 0.000 2.565 449 F HA 0.421 4.948 4.527 -0.000 0.000 0.313 449 F C -1.661 174.110 175.800 -0.049 0.000 1.091 449 F CA -0.789 57.313 58.000 0.170 0.000 0.915 449 F CB 1.459 40.609 39.000 0.251 0.000 1.208 449 F HN 0.575 nan 8.300 nan 0.000 0.453 450 Y N 4.714 124.711 120.300 -0.505 0.000 2.341 450 Y HA 0.352 4.902 4.550 -0.000 0.000 0.340 450 Y C 0.227 175.858 175.900 -0.448 0.000 0.997 450 Y CA -0.915 56.919 58.100 -0.443 0.000 1.149 450 Y CB 0.984 39.292 38.460 -0.253 0.000 1.171 450 Y HN 0.565 nan 8.280 nan 0.000 0.494 451 S N 4.371 119.540 115.700 -0.885 0.000 2.626 451 S HA 0.306 4.776 4.470 -0.000 0.000 0.303 451 S C 1.175 175.618 174.600 -0.260 0.000 1.256 451 S CA 1.558 59.362 58.200 -0.661 0.000 1.069 451 S CB -0.637 62.169 63.200 -0.656 0.000 0.807 451 S HN 1.549 nan 8.310 nan 0.000 0.500 452 G N 4.812 113.795 108.800 0.305 0.000 2.284 452 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 452 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 452 G C 0.554 175.549 174.900 0.158 0.000 1.009 452 G CA 0.418 45.646 45.100 0.214 0.000 0.625 452 G HN 0.662 nan 8.290 nan 0.000 0.501 453 D N 1.527 121.992 120.400 0.108 0.000 2.264 453 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 453 D C 2.416 179.051 176.300 0.559 0.000 0.966 453 D CA 1.318 55.423 54.000 0.176 0.000 0.864 453 D CB -0.091 40.565 40.800 -0.241 0.000 0.933 453 D HN 0.760 nan 8.370 nan 0.000 0.499 454 E N 1.070 121.753 120.200 0.805 0.000 2.427 454 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 454 E C 1.538 178.345 176.600 0.344 0.000 1.028 454 E CA 0.389 57.241 56.400 0.754 0.000 0.864 454 E CB -0.339 29.770 29.700 0.682 0.000 0.813 454 E HN 0.459 nan 8.360 nan 0.000 0.514 455 I N -2.033 118.645 120.570 0.179 0.000 3.707 455 I HA 0.282 4.452 4.170 -0.000 0.000 0.330 455 I C 0.200 176.206 176.117 -0.185 0.000 1.572 455 I CA -0.725 60.551 61.300 -0.041 0.000 1.104 455 I CB 0.124 38.073 38.000 -0.085 0.000 1.240 455 I HN -0.176 nan 8.210 nan 0.000 0.475 456 L N -0.157 120.923 121.223 -0.238 0.000 3.717 456 L HA -0.210 4.130 4.340 -0.000 0.000 0.414 456 L C 0.247 177.051 176.870 -0.111 0.000 1.228 456 L CA 0.456 55.026 54.840 -0.451 0.000 0.918 456 L CB -1.850 39.522 42.059 -1.146 0.000 1.865 456 L HN 0.562 nan 8.230 nan 0.000 0.922 457 M N 0.379 119.979 119.600 -0.000 0.000 2.250 457 M HA 0.148 4.628 4.480 -0.000 0.000 0.337 457 M C 1.092 177.500 176.300 0.179 0.000 1.161 457 M CA 1.316 56.654 55.300 0.063 0.000 1.088 457 M CB 0.566 33.191 32.600 0.041 0.000 1.639 457 M HN 0.384 nan 8.290 nan 0.000 0.447 458 T N -0.495 114.162 114.554 0.173 0.000 2.940 458 T HA 0.850 5.200 4.350 -0.000 0.000 0.288 458 T C -0.305 174.502 174.700 0.178 0.000 1.045 458 T CA -0.785 61.436 62.100 0.201 0.000 1.018 458 T CB 1.855 70.831 68.868 0.179 0.000 1.151 458 T HN 0.794 nan 8.240 nan 0.000 0.529 459 S N -0.376 115.437 115.700 0.188 0.000 2.752 459 S HA 0.710 5.180 4.470 -0.000 0.000 0.284 459 S C 0.004 174.709 174.600 0.175 0.000 1.189 459 S CA -0.548 57.783 58.200 0.219 0.000 0.835 459 S CB 0.678 64.119 63.200 0.402 0.000 1.192 459 S HN 1.284 nan 8.310 nan 0.000 0.506 460 T N -0.854 113.806 114.554 0.177 0.000 2.802 460 T HA 0.404 4.753 4.350 -0.000 0.000 0.305 460 T C 1.408 176.235 174.700 0.211 0.000 1.053 460 T CA 0.105 62.297 62.100 0.153 0.000 1.058 460 T CB 0.409 69.343 68.868 0.111 0.000 0.988 460 T HN 1.652 nan 8.240 nan 0.000 0.539 461 V N -2.506 117.496 119.914 0.147 0.000 3.455 461 V HA 0.438 4.558 4.120 -0.000 0.000 0.250 461 V C 0.674 176.845 176.094 0.129 0.000 1.230 461 V CA 0.164 62.540 62.300 0.128 0.000 1.105 461 V CB -0.665 31.202 31.823 0.074 0.000 0.850 461 V HN 0.924 nan 8.190 nan 0.000 0.461 462 K N 0.670 121.143 120.400 0.121 0.000 2.156 462 K HA 0.604 4.924 4.320 -0.000 0.000 0.254 462 K C 0.595 177.272 176.600 0.129 0.000 0.950 462 K CA 0.457 56.807 56.287 0.105 0.000 0.849 462 K CB 1.406 33.948 32.500 0.070 0.000 1.100 462 K HN 0.716 nan 8.250 nan 0.000 0.434 463 G N 2.200 111.073 108.800 0.122 0.000 2.601 463 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 463 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 463 G C -1.237 173.770 174.900 0.178 0.000 1.294 463 G CA -0.318 44.853 45.100 0.119 0.000 0.912 463 G HN 0.649 nan 8.290 nan 0.000 0.574 464 R N 0.388 120.967 120.500 0.133 0.000 2.288 464 R HA 0.589 4.929 4.340 -0.000 0.000 0.326 464 R C -0.910 175.422 176.300 0.053 0.000 0.959 464 R CA -0.347 55.845 56.100 0.153 0.000 0.834 464 R CB 1.615 31.948 30.300 0.055 0.000 1.157 464 R HN 0.464 nan 8.270 nan 0.000 0.470 465 D N 1.932 122.305 120.400 -0.045 0.000 2.656 465 D HA 0.143 4.783 4.640 -0.000 0.000 0.303 465 D C -0.136 175.713 176.300 -0.752 0.000 1.199 465 D CA -0.240 53.576 54.000 -0.308 0.000 0.797 465 D CB 0.466 41.140 40.800 -0.211 0.000 1.170 465 D HN 0.337 nan 8.370 nan 0.000 0.509 466 D N 0.936 121.101 120.400 -0.392 0.000 2.126 466 D HA -0.232 4.408 4.640 -0.000 0.000 0.190 466 D C 1.986 178.161 176.300 -0.209 0.000 1.001 466 D CA 1.694 55.544 54.000 -0.251 0.000 0.841 466 D CB -0.093 40.717 40.800 0.017 0.000 0.949 466 D HN 0.496 nan 8.370 nan 0.000 0.446 467 A N 0.257 123.013 122.820 -0.107 0.000 1.917 467 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 467 A C 2.326 179.868 177.584 -0.070 0.000 1.182 467 A CA 2.269 54.290 52.037 -0.026 0.000 0.633 467 A CB -0.856 18.142 19.000 -0.003 0.000 0.819 467 A HN 0.238 nan 8.150 nan 0.000 0.448 468 S N -1.674 113.897 115.700 -0.215 0.000 2.442 468 S HA -0.122 4.348 4.470 -0.000 0.000 0.236 468 S C 1.410 176.062 174.600 0.086 0.000 1.007 468 S CA 1.309 59.442 58.200 -0.112 0.000 0.965 468 S CB -0.442 62.663 63.200 -0.158 0.000 0.773 468 S HN 0.655 nan 8.310 nan 0.000 0.504 469 Y N 0.354 120.758 120.300 0.173 0.000 2.466 469 Y HA 0.434 4.984 4.550 -0.000 0.000 0.272 469 Y C 1.474 177.578 175.900 0.339 0.000 1.169 469 Y CA -0.248 58.000 58.100 0.248 0.000 1.285 469 Y CB -0.107 38.484 38.460 0.218 0.000 1.078 469 Y HN 0.088 nan 8.280 nan 0.000 0.523 470 R N -0.265 120.443 120.500 0.347 0.000 2.659 470 R HA 0.230 4.570 4.340 -0.000 0.000 0.418 470 R C -0.277 176.135 176.300 0.186 0.000 1.076 470 R CA -0.408 55.888 56.100 0.327 0.000 1.093 470 R CB 0.355 30.870 30.300 0.358 0.000 1.400 470 R HN -0.163 nan 8.270 nan 0.000 0.583 471 R N 1.381 121.972 120.500 0.152 0.000 2.679 471 R HA 0.034 4.374 4.340 -0.000 0.000 0.268 471 R C -0.226 176.134 176.300 0.100 0.000 1.044 471 R CA -0.141 56.013 56.100 0.089 0.000 1.105 471 R CB 0.005 30.336 30.300 0.052 0.000 0.989 471 R HN 0.056 nan 8.270 nan 0.000 0.447 472 D N 1.574 121.995 120.400 0.036 0.000 2.525 472 D HA -0.109 4.531 4.640 -0.000 0.000 0.235 472 D C -0.058 176.327 176.300 0.142 0.000 1.137 472 D CA 0.244 54.261 54.000 0.028 0.000 0.868 472 D CB 0.084 40.620 40.800 -0.440 0.000 1.180 472 D HN 0.271 nan 8.370 nan 0.000 0.465 473 F N 4.260 124.334 119.950 0.207 0.000 2.578 473 F HA 0.145 4.672 4.527 -0.000 0.000 0.381 473 F C -1.752 174.046 175.800 -0.004 0.000 1.069 473 F CA -1.757 56.304 58.000 0.101 0.000 1.231 473 F CB 0.529 39.637 39.000 0.180 0.000 1.086 473 F HN 0.146 nan 8.300 nan 0.000 0.564 474 P HA 0.216 nan 4.420 nan 0.000 0.270 474 P C 0.366 177.403 177.300 -0.437 0.000 1.242 474 P CA 0.705 63.552 63.100 -0.421 0.000 0.768 474 P CB 0.862 32.282 31.700 -0.467 0.000 0.820 475 G N 3.038 111.782 108.800 -0.094 0.000 2.231 475 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.206 475 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.206 475 G C 1.120 176.180 174.900 0.266 0.000 0.996 475 G CA 0.051 45.165 45.100 0.025 0.000 0.645 475 G HN 0.655 nan 8.290 nan 0.000 0.498 476 G N -0.942 108.064 108.800 0.343 0.000 2.484 476 G HA2 0.167 4.127 3.960 -0.000 0.000 0.218 476 G HA3 0.167 4.127 3.960 -0.000 0.000 0.218 476 G C 0.619 175.543 174.900 0.041 0.000 1.130 476 G CA 0.726 45.989 45.100 0.271 0.000 0.784 476 G HN 0.418 nan 8.290 nan 0.000 0.543 477 W N -0.137 121.202 121.300 0.065 0.000 2.702 477 W HA 0.644 5.304 4.660 -0.000 0.000 0.331 477 W C -0.080 176.461 176.519 0.036 0.000 1.049 477 W CA -1.786 55.588 57.345 0.048 0.000 1.230 477 W CB 1.655 31.132 29.460 0.029 0.000 1.408 477 W HN 0.096 nan 8.180 nan 0.000 0.492 478 A N 1.379 124.304 122.820 0.176 0.000 2.567 478 A HA 0.397 4.717 4.320 -0.000 0.000 0.240 478 A C 1.144 178.807 177.584 0.131 0.000 1.053 478 A CA 1.684 53.790 52.037 0.116 0.000 0.755 478 A CB -0.338 18.705 19.000 0.073 0.000 0.978 478 A HN 1.513 nan 8.150 nan 0.000 0.507 479 G N 1.986 110.841 108.800 0.090 0.000 2.195 479 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.246 479 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.246 479 G C -0.049 174.885 174.900 0.056 0.000 0.984 479 G CA 0.247 45.386 45.100 0.065 0.000 0.633 479 G HN 0.861 nan 8.290 nan 0.000 0.525 480 D N 0.660 121.109 120.400 0.081 0.000 2.458 480 D HA 0.324 4.964 4.640 -0.000 0.000 0.243 480 D C 1.444 177.751 176.300 0.011 0.000 1.146 480 D CA 0.054 54.081 54.000 0.046 0.000 0.877 480 D CB 0.870 41.712 40.800 0.070 0.000 1.176 480 D HN 0.120 nan 8.370 nan 0.000 0.461 481 K N 0.690 121.080 120.400 -0.016 0.000 2.379 481 K HA 0.191 4.511 4.320 -0.000 0.000 0.194 481 K C 0.289 176.864 176.600 -0.042 0.000 1.031 481 K CA 0.044 56.317 56.287 -0.023 0.000 1.037 481 K CB 0.502 32.986 32.500 -0.026 0.000 0.824 481 K HN 0.342 nan 8.250 nan 0.000 0.516 482 A N 1.956 124.736 122.820 -0.065 0.000 2.318 482 A HA 0.506 4.826 4.320 -0.000 0.000 0.324 482 A C -0.766 176.743 177.584 -0.125 0.000 1.170 482 A CA -0.599 51.379 52.037 -0.098 0.000 0.810 482 A CB 0.652 19.576 19.000 -0.126 0.000 1.198 482 A HN 0.080 nan 8.150 nan 0.000 0.484 483 N N 1.926 120.551 118.700 -0.125 0.000 2.577 483 N HA 0.408 5.147 4.740 -0.000 0.000 0.275 483 N C 0.439 175.829 175.510 -0.200 0.000 1.091 483 N CA 0.199 53.163 53.050 -0.143 0.000 0.843 483 N CB 1.802 40.277 38.487 -0.021 0.000 1.295 483 N HN 0.569 nan 8.380 nan 0.000 0.530 484 A N 3.197 125.762 122.820 -0.424 0.000 2.066 484 A HA 0.049 4.368 4.320 -0.000 0.000 0.218 484 A C 1.327 178.765 177.584 -0.243 0.000 1.157 484 A CA 0.778 52.596 52.037 -0.366 0.000 0.670 484 A CB -0.565 18.089 19.000 -0.576 0.000 0.804 484 A HN 0.663 nan 8.150 nan 0.000 0.453 485 F N 0.592 120.443 119.950 -0.165 0.000 2.206 485 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 485 F C 2.772 178.578 175.800 0.010 0.000 1.090 485 F CA 1.263 59.129 58.000 -0.224 0.000 1.323 485 F CB 0.061 38.907 39.000 -0.257 0.000 1.028 485 F HN 0.367 nan 8.300 nan 0.000 0.492 486 S N -1.279 114.528 115.700 0.179 0.000 2.502 486 S HA 0.417 4.887 4.470 -0.000 0.000 0.215 486 S C 1.674 176.326 174.600 0.088 0.000 1.009 486 S CA 0.440 58.721 58.200 0.135 0.000 0.908 486 S CB 0.706 63.971 63.200 0.108 0.000 0.801 486 S HN 0.510 nan 8.310 nan 0.000 0.505 487 G N 1.185 110.016 108.800 0.052 0.000 2.213 487 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.236 487 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.236 487 G C 0.326 175.224 174.900 -0.004 0.000 0.991 487 G CA -0.139 44.977 45.100 0.028 0.000 0.629 487 G HN 1.381 nan 8.290 nan 0.000 0.517 488 A N 0.330 123.149 122.820 -0.002 0.000 2.548 488 A HA 0.595 4.915 4.320 -0.000 0.000 0.247 488 A C 2.097 179.657 177.584 -0.039 0.000 1.067 488 A CA 2.094 54.123 52.037 -0.013 0.000 0.757 488 A CB -0.308 18.692 19.000 -0.000 0.000 0.996 488 A HN 2.430 nan 8.150 nan 0.000 0.504 489 G N 1.125 109.901 108.800 -0.039 0.000 2.179 489 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.260 489 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.260 489 G C 0.015 174.873 174.900 -0.070 0.000 0.977 489 G CA 0.273 45.342 45.100 -0.053 0.000 0.641 489 G HN 0.783 nan 8.290 nan 0.000 0.533 490 L N 2.327 123.506 121.223 -0.073 0.000 2.426 490 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 490 L C 1.710 178.530 176.870 -0.083 0.000 1.169 490 L CA 0.363 55.150 54.840 -0.088 0.000 0.836 490 L CB 0.631 42.643 42.059 -0.079 0.000 1.112 490 L HN 0.472 nan 8.230 nan 0.000 0.465 491 T N -0.904 113.589 114.554 -0.102 0.000 2.856 491 T HA 0.117 4.467 4.350 -0.000 0.000 0.306 491 T C 1.446 176.075 174.700 -0.119 0.000 1.062 491 T CA -0.043 61.994 62.100 -0.105 0.000 1.083 491 T CB 0.386 69.183 68.868 -0.118 0.000 0.984 491 T HN 0.700 nan 8.240 nan 0.000 0.542 492 S N 0.738 116.369 115.700 -0.114 0.000 2.380 492 S HA -0.328 4.142 4.470 -0.000 0.000 0.229 492 S C 2.028 176.508 174.600 -0.200 0.000 1.043 492 S CA 1.581 59.705 58.200 -0.127 0.000 1.038 492 S CB -0.912 62.221 63.200 -0.111 0.000 0.872 492 S HN 0.852 nan 8.310 nan 0.000 0.456 493 Q N 0.879 120.516 119.800 -0.272 0.000 2.079 493 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 493 Q C 2.486 178.223 176.000 -0.439 0.000 0.974 493 Q CA 1.415 56.935 55.803 -0.471 0.000 0.840 493 Q CB -0.192 28.249 28.738 -0.496 0.000 0.898 493 Q HN 0.760 nan 8.270 nan 0.000 0.430 494 Q N -0.242 119.372 119.800 -0.311 0.000 2.050 494 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 494 Q C 2.121 178.033 176.000 -0.148 0.000 0.980 494 Q CA 1.520 57.169 55.803 -0.256 0.000 0.840 494 Q CB -0.150 28.466 28.738 -0.204 0.000 0.898 494 Q HN 0.106 nan 8.270 nan 0.000 0.424 495 R N 0.972 121.405 120.500 -0.112 0.000 2.091 495 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 495 R C 1.924 178.218 176.300 -0.010 0.000 1.136 495 R CA 1.717 57.792 56.100 -0.041 0.000 0.959 495 R CB -0.748 29.530 30.300 -0.037 0.000 0.856 495 R HN 0.271 nan 8.270 nan 0.000 0.437 496 A N 0.161 122.945 122.820 -0.060 0.000 1.902 496 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 496 A C 2.389 180.086 177.584 0.188 0.000 1.181 496 A CA 1.713 53.761 52.037 0.018 0.000 0.623 496 A CB -1.073 17.866 19.000 -0.101 0.000 0.818 496 A HN 0.485 nan 8.150 nan 0.000 0.443 497 A N -0.795 122.111 122.820 0.143 0.000 1.883 497 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 497 A C 2.219 179.997 177.584 0.324 0.000 1.186 497 A CA 1.935 54.129 52.037 0.262 0.000 0.624 497 A CB -0.680 18.181 19.000 -0.232 0.000 0.822 497 A HN 0.650 nan 8.150 nan 0.000 0.444 498 Q N -0.766 119.150 119.800 0.194 0.000 2.050 498 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 498 Q C 1.396 177.506 176.000 0.183 0.000 0.980 498 Q CA 1.832 57.766 55.803 0.219 0.000 0.840 498 Q CB -0.173 28.678 28.738 0.188 0.000 0.898 498 Q HN 0.611 nan 8.270 nan 0.000 0.424 499 D N 0.267 120.755 120.400 0.146 0.000 2.144 499 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 499 D C 1.766 178.130 176.300 0.107 0.000 0.984 499 D CA 0.684 54.748 54.000 0.107 0.000 0.834 499 D CB -0.117 40.729 40.800 0.077 0.000 0.955 499 D HN 0.209 nan 8.370 nan 0.000 0.465 500 L N 0.253 121.580 121.223 0.172 0.000 2.109 500 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 500 L C 2.124 179.068 176.870 0.124 0.000 1.086 500 L CA 1.063 55.993 54.840 0.150 0.000 0.760 500 L CB -0.301 41.909 42.059 0.251 0.000 0.910 500 L HN -0.138 nan 8.230 nan 0.000 0.437 501 V N 0.057 120.080 119.914 0.181 0.000 2.287 501 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 501 V C 2.773 178.855 176.094 -0.021 0.000 1.053 501 V CA 2.197 64.533 62.300 0.059 0.000 1.027 501 V CB -0.740 31.113 31.823 0.049 0.000 0.646 501 V HN 0.518 nan 8.190 nan 0.000 0.447 502 R N 0.246 120.758 120.500 0.019 0.000 2.083 502 R HA -0.250 4.089 4.340 -0.000 0.000 0.237 502 R C 2.440 178.751 176.300 0.018 0.000 1.137 502 R CA 2.316 58.410 56.100 -0.011 0.000 0.951 502 R CB -0.296 30.016 30.300 0.021 0.000 0.851 502 R HN 0.522 nan 8.270 nan 0.000 0.434 503 K N 0.285 120.714 120.400 0.048 0.000 2.002 503 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 503 K C 2.125 178.850 176.600 0.207 0.000 1.048 503 K CA 1.602 57.941 56.287 0.087 0.000 0.930 503 K CB -0.117 32.365 32.500 -0.029 0.000 0.714 503 K HN 0.208 nan 8.250 nan 0.000 0.438 504 L N 0.277 121.589 121.223 0.148 0.000 2.072 504 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 504 L C 2.612 179.625 176.870 0.237 0.000 1.079 504 L CA 1.028 56.015 54.840 0.245 0.000 0.752 504 L CB -0.408 41.725 42.059 0.124 0.000 0.906 504 L HN 0.311 nan 8.230 nan 0.000 0.436 505 A N 0.115 122.938 122.820 0.006 0.000 1.877 505 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 505 A C 2.071 179.608 177.584 -0.078 0.000 1.186 505 A CA 1.750 53.686 52.037 -0.168 0.000 0.620 505 A CB -0.570 18.070 19.000 -0.599 0.000 0.822 505 A HN 0.430 nan 8.150 nan 0.000 0.443 506 N N -1.472 117.220 118.700 -0.013 0.000 2.188 506 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 506 N C 1.568 177.146 175.510 0.114 0.000 1.018 506 N CA 1.585 54.653 53.050 0.029 0.000 0.858 506 N CB -0.423 38.091 38.487 0.045 0.000 0.989 506 N HN 0.805 nan 8.380 nan 0.000 0.426 507 W N 2.771 124.063 121.300 -0.014 0.000 2.355 507 W HA -0.094 4.566 4.660 -0.000 0.000 0.309 507 W C 2.525 178.978 176.519 -0.110 0.000 1.206 507 W CA 1.339 58.635 57.345 -0.081 0.000 1.284 507 W CB -0.314 29.069 29.460 -0.128 0.000 1.145 507 W HN -0.075 nan 8.180 nan 0.000 0.502 508 R N 0.879 121.389 120.500 0.018 0.000 2.105 508 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 508 R C 2.208 178.444 176.300 -0.107 0.000 1.135 508 R CA 1.851 57.825 56.100 -0.211 0.000 0.967 508 R CB -0.374 29.936 30.300 0.018 0.000 0.861 508 R HN 0.191 nan 8.270 nan 0.000 0.442 509 K N -0.146 120.226 120.400 -0.047 0.000 2.160 509 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 509 K C 0.854 177.460 176.600 0.011 0.000 1.047 509 K CA 1.654 57.940 56.287 -0.001 0.000 0.930 509 K CB -0.152 32.324 32.500 -0.040 0.000 0.720 509 K HN 0.297 nan 8.250 nan 0.000 0.450 510 N N 0.484 119.099 118.700 -0.141 0.000 2.279 510 N HA 0.009 4.749 4.740 -0.000 0.000 0.226 510 N C -0.786 174.495 175.510 -0.383 0.000 1.126 510 N CA 0.023 52.955 53.050 -0.198 0.000 0.846 510 N CB 0.687 39.075 38.487 -0.165 0.000 1.050 510 N HN -0.009 nan 8.380 nan 0.000 0.502 511 Q N -0.081 119.382 119.800 -0.561 0.000 2.700 511 Q HA 0.246 4.586 4.340 -0.000 0.000 0.249 511 Q C -2.062 173.356 176.000 -0.970 0.000 1.033 511 Q CA -1.741 53.618 55.803 -0.741 0.000 0.804 511 Q CB 1.474 29.610 28.738 -1.002 0.000 1.164 511 Q HN 0.130 nan 8.270 nan 0.000 0.500 512 P HA -0.176 nan 4.420 nan 0.000 0.218 512 P C 1.512 178.541 177.300 -0.451 0.000 1.146 512 P CA 0.704 63.437 63.100 -0.611 0.000 0.813 512 P CB 0.434 31.988 31.700 -0.243 0.000 0.778 513 V N -0.612 119.083 119.914 -0.365 0.000 2.469 513 V HA -0.222 3.898 4.120 -0.000 0.000 0.251 513 V C 1.979 177.937 176.094 -0.227 0.000 1.064 513 V CA 1.661 63.819 62.300 -0.235 0.000 1.066 513 V CB -0.819 30.909 31.823 -0.158 0.000 0.667 513 V HN 0.019 nan 8.190 nan 0.000 0.461 514 I N -0.701 119.669 120.570 -0.333 0.000 2.500 514 I HA -0.167 4.003 4.170 -0.000 0.000 0.252 514 I C 2.216 178.288 176.117 -0.075 0.000 1.142 514 I CA 1.480 62.663 61.300 -0.195 0.000 1.451 514 I CB -0.451 37.418 38.000 -0.218 0.000 1.093 514 I HN 0.448 nan 8.210 nan 0.000 0.430 515 H N 0.969 119.961 119.070 -0.130 0.000 2.395 515 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 515 H C 1.119 176.391 175.328 -0.093 0.000 1.070 515 H CA 1.352 57.338 56.048 -0.102 0.000 1.356 515 H CB 0.007 29.710 29.762 -0.099 0.000 1.401 515 H HN 0.471 nan 8.280 nan 0.000 0.524 516 N N -0.687 118.008 118.700 -0.008 0.000 2.039 516 N HA 0.084 4.824 4.740 -0.000 0.000 0.228 516 N C 0.447 175.899 175.510 -0.096 0.000 1.369 516 N CA 0.235 53.259 53.050 -0.043 0.000 0.806 516 N CB 0.054 38.525 38.487 -0.025 0.000 1.190 516 N HN 0.167 nan 8.380 nan 0.000 0.506 517 G N 0.438 109.161 108.800 -0.127 0.000 2.667 517 G HA2 0.310 4.270 3.960 -0.000 0.000 0.250 517 G HA3 0.310 4.270 3.960 -0.000 0.000 0.250 517 G C 0.012 174.768 174.900 -0.240 0.000 1.212 517 G CA -0.598 44.391 45.100 -0.184 0.000 0.874 517 G HN 0.169 nan 8.290 nan 0.000 0.561 518 R N -1.262 118.972 120.500 -0.444 0.000 2.726 518 R HA 0.391 4.731 4.340 -0.000 0.000 0.272 518 R C -0.706 175.381 176.300 -0.354 0.000 1.097 518 R CA -0.514 55.268 56.100 -0.530 0.000 1.198 518 R CB 0.692 30.386 30.300 -1.011 0.000 1.114 518 R HN 0.318 nan 8.270 nan 0.000 0.550 519 L N 1.317 122.457 121.223 -0.138 0.000 2.385 519 L HA 0.472 4.812 4.340 -0.000 0.000 0.273 519 L C -1.106 175.893 176.870 0.215 0.000 0.990 519 L CA -0.290 54.591 54.840 0.069 0.000 0.821 519 L CB 1.857 43.891 42.059 -0.041 0.000 1.279 519 L HN 0.620 nan 8.230 nan 0.000 0.412 520 M N 5.775 125.625 119.600 0.417 0.000 2.197 520 M HA 0.480 4.960 4.480 -0.000 0.000 0.301 520 M C -1.444 175.089 176.300 0.389 0.000 0.987 520 M CA -0.369 55.115 55.300 0.307 0.000 0.921 520 M CB 0.993 33.732 32.600 0.232 0.000 1.569 520 M HN 0.912 nan 8.290 nan 0.000 0.431 521 H N 2.020 121.242 119.070 0.253 0.000 2.616 521 H HA 0.661 5.217 4.556 -0.000 0.000 0.353 521 H C -1.799 173.674 175.328 0.243 0.000 1.170 521 H CA -1.045 55.236 56.048 0.390 0.000 1.212 521 H CB 1.451 31.545 29.762 0.554 0.000 1.653 521 H HN 0.550 nan 8.280 nan 0.000 0.537 522 F N 0.267 120.537 119.950 0.533 0.000 2.492 522 F HA 0.353 4.880 4.527 -0.000 0.000 0.327 522 F C 1.069 176.896 175.800 0.046 0.000 1.079 522 F CA -0.648 57.567 58.000 0.359 0.000 0.967 522 F CB 1.862 41.151 39.000 0.482 0.000 1.169 522 F HN 0.837 nan 8.300 nan 0.000 0.472 523 G N 2.953 111.620 108.800 -0.221 0.000 2.272 523 G HA2 0.298 4.258 3.960 -0.000 0.000 0.247 523 G HA3 0.298 4.258 3.960 -0.000 0.000 0.247 523 G C -2.726 172.000 174.900 -0.290 0.000 1.272 523 G CA -0.850 43.670 45.100 -0.967 0.000 0.921 523 G HN 0.253 nan 8.290 nan 0.000 0.495 524 P HA 0.164 nan 4.420 nan 0.000 0.269 524 P C -0.397 176.878 177.300 -0.041 0.000 1.209 524 P CA 0.170 63.235 63.100 -0.059 0.000 0.776 524 P CB 0.932 32.496 31.700 -0.227 0.000 0.876 525 E N 1.443 121.670 120.200 0.044 0.000 2.241 525 E HA 0.146 4.496 4.350 -0.000 0.000 0.263 525 E C -0.569 176.053 176.600 0.037 0.000 0.882 525 E CA -0.568 55.850 56.400 0.031 0.000 0.769 525 E CB 1.073 30.802 29.700 0.048 0.000 1.185 525 E HN 0.404 nan 8.360 nan 0.000 0.415 526 E N 2.391 122.601 120.200 0.017 0.000 2.360 526 E HA -0.300 4.050 4.350 -0.000 0.000 0.238 526 E C -0.312 176.302 176.600 0.024 0.000 1.186 526 E CA 0.142 56.553 56.400 0.018 0.000 0.719 526 E CB -1.022 28.692 29.700 0.023 0.000 1.236 526 E HN 0.634 nan 8.360 nan 0.000 0.386 527 N N -0.911 117.798 118.700 0.015 0.000 2.741 527 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 527 N C -0.575 174.972 175.510 0.062 0.000 1.115 527 N CA 1.871 54.933 53.050 0.019 0.000 0.724 527 N CB -1.087 37.405 38.487 0.009 0.000 1.090 527 N HN 0.638 nan 8.380 nan 0.000 0.558 528 T N -3.324 111.285 114.554 0.092 0.000 2.888 528 T HA 0.631 4.981 4.350 -0.000 0.000 0.284 528 T C -0.629 174.228 174.700 0.261 0.000 1.017 528 T CA -0.637 61.548 62.100 0.141 0.000 1.022 528 T CB 2.361 71.296 68.868 0.112 0.000 1.013 528 T HN 0.270 nan 8.240 nan 0.000 0.465 529 W N 2.394 123.706 121.300 0.021 0.000 3.259 529 W HA 0.624 5.284 4.660 -0.000 0.000 0.331 529 W C -2.301 174.226 176.519 0.013 0.000 1.144 529 W CA -1.293 56.091 57.345 0.065 0.000 1.227 529 W CB 1.617 31.146 29.460 0.115 0.000 1.371 529 W HN 0.716 nan 8.180 nan 0.000 0.491 530 V N 7.590 127.415 119.914 -0.149 0.000 2.588 530 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 530 V C -1.040 174.890 176.094 -0.273 0.000 1.042 530 V CA -0.828 61.194 62.300 -0.463 0.000 0.877 530 V CB 1.245 32.580 31.823 -0.813 0.000 0.996 530 V HN 0.370 nan 8.190 nan 0.000 0.425 531 Y N 2.622 122.617 120.300 -0.508 0.000 2.625 531 Y HA 0.891 5.441 4.550 -0.000 0.000 0.338 531 Y C -1.888 173.837 175.900 -0.292 0.000 1.123 531 Y CA -1.818 56.176 58.100 -0.178 0.000 1.046 531 Y CB 1.703 39.976 38.460 -0.312 0.000 1.299 531 Y HN 0.369 nan 8.280 nan 0.000 0.464 532 F N 1.590 121.719 119.950 0.299 0.000 2.556 532 F HA 0.662 5.189 4.527 -0.000 0.000 0.314 532 F C -0.404 175.598 175.800 0.336 0.000 1.106 532 F CA -1.038 57.100 58.000 0.229 0.000 0.911 532 F CB 2.006 41.129 39.000 0.206 0.000 1.190 532 F HN 0.329 nan 8.300 nan 0.000 0.448 533 R N 2.638 123.379 120.500 0.402 0.000 2.407 533 R HA 0.533 4.873 4.340 -0.000 0.000 0.303 533 R C -1.369 175.128 176.300 0.329 0.000 0.981 533 R CA -0.800 55.465 56.100 0.274 0.000 0.905 533 R CB 1.305 31.678 30.300 0.121 0.000 1.099 533 R HN 0.797 nan 8.270 nan 0.000 0.459 534 Y N -0.315 120.035 120.300 0.084 0.000 2.581 534 Y HA 0.606 5.156 4.550 -0.000 0.000 0.337 534 Y C -0.929 174.980 175.900 0.016 0.000 1.108 534 Y CA -1.380 56.755 58.100 0.059 0.000 1.033 534 Y CB 1.506 40.013 38.460 0.078 0.000 1.318 534 Y HN 0.688 nan 8.280 nan 0.000 0.459 535 N N -0.133 118.628 118.700 0.102 0.000 3.364 535 N HA 0.279 5.019 4.740 -0.000 0.000 0.294 535 N C -0.476 175.081 175.510 0.078 0.000 1.562 535 N CA -1.018 52.047 53.050 0.024 0.000 0.862 535 N CB 0.974 39.424 38.487 -0.063 0.000 1.691 535 N HN 0.658 nan 8.380 nan 0.000 0.572 536 K N -0.882 119.541 120.400 0.038 0.000 2.280 536 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 536 K C -0.054 176.560 176.600 0.024 0.000 1.047 536 K CA 1.491 57.799 56.287 0.036 0.000 0.942 536 K CB -0.126 32.385 32.500 0.017 0.000 0.739 536 K HN 0.440 nan 8.250 nan 0.000 0.457 537 D N -0.090 120.315 120.400 0.008 0.000 2.277 537 D HA 0.017 4.657 4.640 -0.000 0.000 0.209 537 D C 0.354 176.655 176.300 0.002 0.000 0.970 537 D CA 0.773 54.769 54.000 -0.006 0.000 0.874 537 D CB 0.521 41.301 40.800 -0.033 0.000 0.982 537 D HN 0.003 nan 8.370 nan 0.000 0.504 538 K N -0.118 120.292 120.400 0.018 0.000 2.562 538 K HA 0.398 4.718 4.320 -0.000 0.000 0.267 538 K C -1.342 175.314 176.600 0.093 0.000 0.938 538 K CA -0.581 55.724 56.287 0.030 0.000 0.840 538 K CB 2.487 34.975 32.500 -0.020 0.000 1.390 538 K HN -0.258 nan 8.250 nan 0.000 0.428 539 R N 2.800 123.372 120.500 0.120 0.000 2.514 539 R HA 0.557 4.897 4.340 -0.000 0.000 0.301 539 R C -0.683 175.719 176.300 0.169 0.000 0.962 539 R CA -0.664 55.559 56.100 0.206 0.000 0.882 539 R CB 1.311 31.756 30.300 0.242 0.000 1.143 539 R HN 0.446 nan 8.270 nan 0.000 0.452 540 I N 3.544 124.221 120.570 0.179 0.000 2.410 540 I HA 0.305 4.475 4.170 -0.000 0.000 0.286 540 I C -0.369 175.727 176.117 -0.036 0.000 1.009 540 I CA -0.504 60.852 61.300 0.093 0.000 1.111 540 I CB 1.917 39.987 38.000 0.115 0.000 1.262 540 I HN 0.444 nan 8.210 nan 0.000 0.443 541 M N 7.468 126.934 119.600 -0.222 0.000 2.180 541 M HA 0.537 5.017 4.480 -0.000 0.000 0.350 541 M C -1.601 174.322 176.300 -0.628 0.000 1.125 541 M CA -0.473 54.395 55.300 -0.721 0.000 1.031 541 M CB 1.400 33.564 32.600 -0.726 0.000 1.623 541 M HN 0.303 nan 8.290 nan 0.000 0.451 542 V N 4.589 123.962 119.914 -0.902 0.000 2.459 542 V HA 0.841 4.961 4.120 -0.000 0.000 0.295 542 V C -0.371 175.221 176.094 -0.838 0.000 1.029 542 V CA -0.656 61.127 62.300 -0.863 0.000 0.874 542 V CB 1.354 32.417 31.823 -1.267 0.000 0.985 542 V HN 0.940 nan 8.190 nan 0.000 0.438 543 A N 6.883 129.390 122.820 -0.522 0.000 2.374 543 A HA 0.969 5.289 4.320 -0.000 0.000 0.305 543 A C -0.666 176.796 177.584 -0.204 0.000 1.053 543 A CA -0.653 51.149 52.037 -0.391 0.000 0.726 543 A CB 1.649 20.432 19.000 -0.362 0.000 1.229 543 A HN 0.976 nan 8.150 nan 0.000 0.431 544 M N 1.158 120.708 119.600 -0.083 0.000 2.518 544 M HA 0.663 5.142 4.480 -0.000 0.000 0.300 544 M C -1.138 175.192 176.300 0.050 0.000 1.175 544 M CA -0.775 54.531 55.300 0.009 0.000 0.890 544 M CB 2.192 34.840 32.600 0.080 0.000 1.710 544 M HN 0.474 nan 8.290 nan 0.000 0.453 545 N N 2.199 120.921 118.700 0.036 0.000 2.706 545 N HA 0.239 4.979 4.740 -0.000 0.000 0.240 545 N C -1.467 174.070 175.510 0.045 0.000 1.039 545 N CA -0.241 52.834 53.050 0.042 0.000 0.888 545 N CB 0.753 39.255 38.487 0.026 0.000 1.128 545 N HN 0.834 nan 8.380 nan 0.000 0.512 546 N N 3.250 121.982 118.700 0.052 0.000 3.303 546 N HA 0.183 4.923 4.740 -0.000 0.000 0.304 546 N C -1.365 174.163 175.510 0.031 0.000 1.302 546 N CA -0.019 53.055 53.050 0.040 0.000 1.213 546 N CB -0.432 38.076 38.487 0.034 0.000 1.481 546 N HN 0.459 nan 8.380 nan 0.000 0.546 547 N N -0.082 118.637 118.700 0.032 0.000 2.396 547 N HA 0.059 4.799 4.740 -0.000 0.000 0.275 547 N C -0.878 174.650 175.510 0.030 0.000 1.218 547 N CA -0.425 52.642 53.050 0.028 0.000 0.812 547 N CB 1.553 40.056 38.487 0.026 0.000 1.592 547 N HN 0.308 nan 8.380 nan 0.000 0.480 548 D N -0.520 119.897 120.400 0.028 0.000 2.319 548 D HA 0.001 4.641 4.640 -0.000 0.000 0.230 548 D C -0.025 176.290 176.300 0.026 0.000 1.094 548 D CA 0.450 54.468 54.000 0.030 0.000 0.856 548 D CB 0.125 40.942 40.800 0.029 0.000 0.915 548 D HN 0.474 nan 8.370 nan 0.000 0.517 549 K N -0.736 119.679 120.400 0.024 0.000 2.340 549 K HA 0.630 4.950 4.320 -0.000 0.000 0.244 549 K C -3.113 173.500 176.600 0.022 0.000 0.973 549 K CA -2.178 54.121 56.287 0.021 0.000 0.828 549 K CB 1.804 34.315 32.500 0.019 0.000 1.226 549 K HN -0.265 nan 8.250 nan 0.000 0.437 550 P HA 0.156 nan 4.420 nan 0.000 0.274 550 P C -0.830 176.482 177.300 0.020 0.000 1.237 550 P CA -0.261 62.851 63.100 0.019 0.000 0.793 550 P CB 0.521 32.231 31.700 0.016 0.000 0.977 551 M N 0.916 120.529 119.600 0.021 0.000 2.457 551 M HA 0.315 4.795 4.480 -0.000 0.000 0.300 551 M C -0.500 175.816 176.300 0.027 0.000 1.141 551 M CA -0.203 55.112 55.300 0.026 0.000 0.901 551 M CB 2.003 34.623 32.600 0.033 0.000 1.687 551 M HN 0.156 nan 8.290 nan 0.000 0.449 552 T N 4.271 118.842 114.554 0.029 0.000 2.791 552 T HA 0.693 5.043 4.350 -0.000 0.000 0.288 552 T C -0.269 174.457 174.700 0.044 0.000 0.999 552 T CA -0.488 61.631 62.100 0.031 0.000 0.952 552 T CB 0.826 69.707 68.868 0.022 0.000 0.938 552 T HN 0.450 nan 8.240 nan 0.000 0.444 553 L N 5.483 126.747 121.223 0.068 0.000 2.298 553 L HA 0.420 4.760 4.340 -0.000 0.000 0.284 553 L C -2.400 174.526 176.870 0.095 0.000 1.013 553 L CA -2.507 52.397 54.840 0.107 0.000 0.824 553 L CB 1.414 43.605 42.059 0.220 0.000 1.221 553 L HN 0.277 nan 8.230 nan 0.000 0.418 554 P HA 0.019 nan 4.420 nan 0.000 0.264 554 P C 0.760 178.037 177.300 -0.040 0.000 1.193 554 P CA -0.036 63.054 63.100 -0.015 0.000 0.763 554 P CB 0.694 32.359 31.700 -0.059 0.000 0.810 555 T N -0.469 114.096 114.554 0.019 0.000 3.100 555 T HA 0.096 4.446 4.350 -0.000 0.000 0.253 555 T C 1.698 176.369 174.700 -0.049 0.000 1.118 555 T CA 0.523 62.676 62.100 0.088 0.000 1.058 555 T CB -0.514 68.443 68.868 0.148 0.000 0.953 555 T HN 0.265 nan 8.240 nan 0.000 0.515 556 A N 2.595 125.355 122.820 -0.100 0.000 1.927 556 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 556 A C 2.462 179.926 177.584 -0.200 0.000 1.185 556 A CA 1.937 53.907 52.037 -0.111 0.000 0.639 556 A CB -0.898 18.047 19.000 -0.092 0.000 0.820 556 A HN 0.543 nan 8.150 nan 0.000 0.451 557 R N -1.613 118.639 120.500 -0.414 0.000 2.117 557 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 557 R C 0.562 176.497 176.300 -0.609 0.000 1.143 557 R CA 1.902 57.624 56.100 -0.629 0.000 0.968 557 R CB -0.260 29.376 30.300 -1.108 0.000 0.863 557 R HN 0.523 nan 8.270 nan 0.000 0.444 558 F N -0.006 119.814 119.950 -0.216 0.000 2.639 558 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 558 F C 1.556 177.272 175.800 -0.140 0.000 1.097 558 F CA -0.422 57.364 58.000 -0.357 0.000 1.294 558 F CB 0.372 39.131 39.000 -0.401 0.000 1.027 558 F HN -0.132 nan 8.300 nan 0.000 0.550 559 Q N 1.218 121.035 119.800 0.028 0.000 2.291 559 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 559 Q C 2.010 177.997 176.000 -0.022 0.000 0.976 559 Q CA 1.382 57.187 55.803 0.003 0.000 0.875 559 Q CB -0.376 28.357 28.738 -0.009 0.000 0.927 559 Q HN 0.675 nan 8.270 nan 0.000 0.450 560 E N -0.950 119.260 120.200 0.016 0.000 2.265 560 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 560 E C 1.488 177.982 176.600 -0.177 0.000 0.996 560 E CA 0.765 57.141 56.400 -0.040 0.000 0.832 560 E CB 0.028 29.733 29.700 0.007 0.000 0.756 560 E HN 0.200 nan 8.360 nan 0.000 0.491 561 M N -0.229 119.206 119.600 -0.274 0.000 2.657 561 M HA 0.094 4.574 4.480 -0.000 0.000 0.262 561 M C 1.820 177.838 176.300 -0.471 0.000 1.213 561 M CA 0.292 55.203 55.300 -0.648 0.000 1.182 561 M CB -0.063 31.615 32.600 -1.537 0.000 1.303 561 M HN 0.177 nan 8.290 nan 0.000 0.501 562 L N 0.930 122.002 121.223 -0.251 0.000 2.162 562 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 562 L C 0.747 177.594 176.870 -0.039 0.000 1.086 562 L CA 1.116 55.919 54.840 -0.061 0.000 0.778 562 L CB -0.534 41.555 42.059 0.050 0.000 0.928 562 L HN 0.248 nan 8.230 nan 0.000 0.446 563 K N 0.689 121.059 120.400 -0.050 0.000 3.156 563 K HA -0.243 4.077 4.320 -0.000 0.000 0.266 563 K C 1.093 177.687 176.600 -0.010 0.000 0.966 563 K CA 0.796 57.063 56.287 -0.033 0.000 0.719 563 K CB -2.306 30.167 32.500 -0.045 0.000 1.333 563 K HN 0.602 nan 8.250 nan 0.000 0.468 564 G N -1.520 107.281 108.800 0.001 0.000 2.179 564 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 564 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 564 G C 0.325 175.234 174.900 0.016 0.000 0.977 564 G CA 0.649 45.754 45.100 0.008 0.000 0.641 564 G HN 1.092 nan 8.290 nan 0.000 0.533 565 A N 0.953 123.786 122.820 0.022 0.000 2.561 565 A HA 0.507 4.827 4.320 -0.000 0.000 0.251 565 A C 0.191 177.793 177.584 0.030 0.000 1.062 565 A CA 0.358 52.412 52.037 0.030 0.000 0.761 565 A CB 0.410 19.438 19.000 0.045 0.000 0.986 565 A HN 0.259 nan 8.150 nan 0.000 0.510 566 P HA 0.010 nan 4.420 nan 0.000 0.227 566 P C 0.219 177.531 177.300 0.020 0.000 1.161 566 P CA 1.306 64.418 63.100 0.020 0.000 0.788 566 P CB 0.109 31.818 31.700 0.016 0.000 0.822 567 S N -2.833 112.880 115.700 0.021 0.000 2.643 567 S HA 0.676 5.146 4.470 -0.000 0.000 0.266 567 S C -0.715 173.896 174.600 0.018 0.000 1.130 567 S CA -0.280 57.930 58.200 0.016 0.000 0.817 567 S CB 1.245 64.452 63.200 0.012 0.000 1.107 567 S HN 0.313 nan 8.310 nan 0.000 0.471 568 G N -0.573 108.233 108.800 0.011 0.000 2.608 568 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 568 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 568 G C -1.868 173.037 174.900 0.008 0.000 1.425 568 G CA -0.478 44.630 45.100 0.014 0.000 0.787 568 G HN 1.179 nan 8.290 nan 0.000 0.484 569 V N 0.944 120.869 119.914 0.018 0.000 2.394 569 V HA 0.333 4.453 4.120 -0.000 0.000 0.282 569 V C -0.246 175.857 176.094 0.016 0.000 1.031 569 V CA -0.521 61.790 62.300 0.018 0.000 0.881 569 V CB 1.501 33.345 31.823 0.036 0.000 0.982 569 V HN 0.786 nan 8.190 nan 0.000 0.451 570 D N 3.133 123.528 120.400 -0.009 0.000 2.346 570 D HA 0.008 4.648 4.640 -0.000 0.000 0.260 570 D C 0.737 177.030 176.300 -0.012 0.000 1.252 570 D CA -0.105 53.879 54.000 -0.027 0.000 0.895 570 D CB 0.496 41.261 40.800 -0.058 0.000 1.097 570 D HN 0.401 nan 8.370 nan 0.000 0.489 571 F N 4.224 124.069 119.950 -0.175 0.000 2.192 571 F HA -0.179 4.348 4.527 -0.000 0.000 0.301 571 F C 1.256 176.913 175.800 -0.237 0.000 1.079 571 F CA 1.387 59.241 58.000 -0.244 0.000 1.303 571 F CB -0.056 38.673 39.000 -0.452 0.000 1.024 571 F HN 0.465 nan 8.300 nan 0.000 0.494 572 L N -0.511 120.519 121.223 -0.322 0.000 1.982 572 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 572 L C 2.723 179.426 176.870 -0.278 0.000 1.078 572 L CA 1.628 56.249 54.840 -0.364 0.000 0.749 572 L CB -1.249 40.690 42.059 -0.200 0.000 0.894 572 L HN 0.226 nan 8.230 nan 0.000 0.436 573 S N -0.610 114.992 115.700 -0.163 0.000 2.461 573 S HA 0.036 4.506 4.470 -0.000 0.000 0.228 573 S C 1.638 176.173 174.600 -0.108 0.000 1.005 573 S CA 0.560 58.696 58.200 -0.107 0.000 0.942 573 S CB 0.133 63.296 63.200 -0.062 0.000 0.776 573 S HN 0.642 nan 8.310 nan 0.000 0.514 574 G N 2.096 110.822 108.800 -0.123 0.000 2.162 574 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 574 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 574 G C -0.011 174.864 174.900 -0.042 0.000 0.976 574 G CA 0.495 45.546 45.100 -0.080 0.000 0.655 574 G HN 0.998 nan 8.290 nan 0.000 0.533 575 K N 0.723 121.098 120.400 -0.041 0.000 2.202 575 K HA 0.511 4.831 4.320 -0.000 0.000 0.264 575 K C 0.623 177.213 176.600 -0.018 0.000 1.010 575 K CA 0.176 56.448 56.287 -0.025 0.000 0.940 575 K CB 0.516 33.001 32.500 -0.025 0.000 0.983 575 K HN 0.406 nan 8.250 nan 0.000 0.475 576 T N -0.697 113.851 114.554 -0.010 0.000 2.907 576 T HA 0.283 4.633 4.350 -0.000 0.000 0.298 576 T C -0.016 174.677 174.700 -0.010 0.000 1.017 576 T CA -0.914 61.183 62.100 -0.006 0.000 1.118 576 T CB 0.941 69.809 68.868 -0.000 0.000 0.948 576 T HN 0.345 nan 8.240 nan 0.000 0.531 577 V N 2.805 122.712 119.914 -0.012 0.000 2.407 577 V HA 0.625 4.745 4.120 -0.000 0.000 0.291 577 V C 1.019 177.108 176.094 -0.009 0.000 1.018 577 V CA -0.973 61.316 62.300 -0.017 0.000 0.842 577 V CB 1.397 33.199 31.823 -0.035 0.000 0.996 577 V HN 1.256 nan 8.190 nan 0.000 0.426 578 G N 3.441 112.239 108.800 -0.004 0.000 2.441 578 G HA2 0.457 4.417 3.960 -0.000 0.000 0.243 578 G HA3 0.457 4.417 3.960 -0.000 0.000 0.243 578 G C 0.228 175.132 174.900 0.008 0.000 1.281 578 G CA -0.093 45.009 45.100 0.004 0.000 0.854 578 G HN 0.744 nan 8.290 nan 0.000 0.560 579 L N 2.165 123.399 121.223 0.017 0.000 3.360 579 L HA 0.205 4.545 4.340 -0.000 0.000 0.303 579 L C 2.483 179.376 176.870 0.039 0.000 1.218 579 L CA 0.302 55.161 54.840 0.032 0.000 1.059 579 L CB 0.532 42.613 42.059 0.037 0.000 1.468 579 L HN 0.730 nan 8.230 nan 0.000 0.614 580 G N 1.003 109.819 108.800 0.027 0.000 2.514 580 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 580 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 580 G C 1.682 176.596 174.900 0.023 0.000 1.198 580 G CA 0.949 46.063 45.100 0.023 0.000 0.780 580 G HN 0.288 nan 8.290 nan 0.000 0.565 581 R N -0.497 120.016 120.500 0.021 0.000 2.492 581 R HA 0.231 4.571 4.340 -0.000 0.000 0.219 581 R C 0.096 176.409 176.300 0.022 0.000 0.886 581 R CA 0.414 56.524 56.100 0.016 0.000 1.003 581 R CB 0.732 31.037 30.300 0.008 0.000 1.345 581 R HN 0.608 nan 8.270 nan 0.000 0.631 582 E N 0.912 121.130 120.200 0.029 0.000 2.366 582 E HA 0.304 4.654 4.350 -0.000 0.000 0.278 582 E C -1.584 175.041 176.600 0.042 0.000 0.923 582 E CA -0.945 55.478 56.400 0.038 0.000 0.761 582 E CB 1.953 31.668 29.700 0.025 0.000 1.231 582 E HN -0.125 nan 8.360 nan 0.000 0.443 583 L N 2.049 123.306 121.223 0.057 0.000 2.280 583 L HA 0.459 4.799 4.340 -0.000 0.000 0.287 583 L C -0.892 175.991 176.870 0.022 0.000 1.023 583 L CA -0.424 54.435 54.840 0.032 0.000 0.819 583 L CB 0.962 43.036 42.059 0.025 0.000 1.212 583 L HN 0.553 nan 8.230 nan 0.000 0.420 584 R N 6.227 126.731 120.500 0.008 0.000 2.198 584 R HA 0.543 4.883 4.340 -0.000 0.000 0.339 584 R C -1.200 175.099 176.300 -0.003 0.000 1.020 584 R CA -0.513 55.591 56.100 0.007 0.000 0.864 584 R CB 0.842 31.146 30.300 0.007 0.000 1.105 584 R HN 0.620 nan 8.270 nan 0.000 0.463 585 L N 2.722 123.946 121.223 0.001 0.000 2.313 585 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 585 L C 0.506 177.379 176.870 0.004 0.000 1.013 585 L CA -0.791 54.046 54.840 -0.006 0.000 0.816 585 L CB 1.803 43.858 42.059 -0.007 0.000 1.236 585 L HN 0.660 nan 8.230 nan 0.000 0.419 586 A N 5.172 127.994 122.820 0.004 0.000 2.448 586 A HA 0.425 4.745 4.320 -0.000 0.000 0.239 586 A C -2.298 175.297 177.584 0.019 0.000 1.080 586 A CA -0.992 51.053 52.037 0.012 0.000 0.779 586 A CB -0.503 18.505 19.000 0.013 0.000 1.026 586 A HN 0.453 nan 8.150 nan 0.000 0.499 587 P HA 0.033 nan 4.420 nan 0.000 0.263 587 P C -0.366 176.957 177.300 0.037 0.000 1.175 587 P CA 0.610 63.729 63.100 0.030 0.000 0.761 587 P CB 0.083 31.803 31.700 0.033 0.000 0.794 588 K N -0.741 119.683 120.400 0.039 0.000 3.035 588 K HA -0.154 4.166 4.320 -0.000 0.000 0.262 588 K C 0.069 176.693 176.600 0.040 0.000 1.024 588 K CA 0.680 56.995 56.287 0.046 0.000 0.748 588 K CB -2.045 30.494 32.500 0.064 0.000 1.247 588 K HN 0.679 nan 8.250 nan 0.000 0.482 589 S N -0.888 114.826 115.700 0.024 0.000 2.651 589 S HA 0.705 5.175 4.470 -0.000 0.000 0.291 589 S C -0.182 174.413 174.600 -0.009 0.000 1.141 589 S CA -0.718 57.486 58.200 0.008 0.000 1.027 589 S CB 2.674 65.873 63.200 -0.001 0.000 1.043 589 S HN 0.237 nan 8.310 nan 0.000 0.530 590 V N 1.992 121.888 119.914 -0.030 0.000 2.686 590 V HA 0.750 4.870 4.120 -0.000 0.000 0.306 590 V C -0.799 175.242 176.094 -0.088 0.000 1.065 590 V CA -0.493 61.771 62.300 -0.060 0.000 0.894 590 V CB 1.705 33.500 31.823 -0.047 0.000 1.004 590 V HN 1.237 nan 8.190 nan 0.000 0.424 591 V N 4.545 124.383 119.914 -0.127 0.000 2.815 591 V HA 0.891 5.011 4.120 -0.000 0.000 0.314 591 V C -0.864 175.122 176.094 -0.180 0.000 1.064 591 V CA -0.630 61.588 62.300 -0.137 0.000 0.952 591 V CB 1.886 33.633 31.823 -0.127 0.000 1.020 591 V HN 0.679 nan 8.190 nan 0.000 0.439 592 V N 5.084 124.910 119.914 -0.147 0.000 2.380 592 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 592 V C -0.398 175.646 176.094 -0.083 0.000 1.015 592 V CA -0.124 62.087 62.300 -0.148 0.000 0.834 592 V CB 1.167 32.891 31.823 -0.165 0.000 1.009 592 V HN 0.820 nan 8.190 nan 0.000 0.428 593 I N 4.064 124.575 120.570 -0.098 0.000 2.406 593 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 593 I C 0.022 176.144 176.117 0.008 0.000 0.999 593 I CA -0.479 60.796 61.300 -0.041 0.000 1.124 593 I CB 2.020 39.976 38.000 -0.073 0.000 1.289 593 I HN 0.561 nan 8.210 nan 0.000 0.441 594 E N 6.979 127.211 120.200 0.054 0.000 2.197 594 E HA 0.662 5.012 4.350 -0.000 0.000 0.281 594 E C -1.082 175.557 176.600 0.065 0.000 0.995 594 E CA -0.480 55.966 56.400 0.077 0.000 0.808 594 E CB 1.825 31.582 29.700 0.095 0.000 1.093 594 E HN 0.405 nan 8.360 nan 0.000 0.394 595 L N 3.563 124.831 121.223 0.074 0.000 2.350 595 L HA 0.540 4.880 4.340 -0.000 0.000 0.260 595 L C -2.347 174.558 176.870 0.059 0.000 1.015 595 L CA -2.616 52.266 54.840 0.069 0.000 0.821 595 L CB 1.919 44.034 42.059 0.093 0.000 1.370 595 L HN 0.375 nan 8.230 nan 0.000 0.416 596 P HA 0.094 nan 4.420 nan 0.000 0.272 596 P C -0.169 177.156 177.300 0.042 0.000 1.240 596 P CA -0.236 62.884 63.100 0.035 0.000 0.791 596 P CB 0.364 32.079 31.700 0.025 0.000 0.978 597 G N 1.045 109.867 108.800 0.036 0.000 2.554 597 G HA2 0.247 4.207 3.960 -0.000 0.000 0.238 597 G HA3 0.247 4.207 3.960 -0.000 0.000 0.238 597 G C -0.437 174.485 174.900 0.037 0.000 1.259 597 G CA -0.289 44.840 45.100 0.048 0.000 0.843 597 G HN 0.363 nan 8.290 nan 0.000 0.582 598 L N 2.077 123.324 121.223 0.040 0.000 2.439 598 L HA 0.308 4.647 4.340 -0.000 0.000 0.269 598 L C -1.109 175.772 176.870 0.019 0.000 1.179 598 L CA -1.184 53.664 54.840 0.014 0.000 0.828 598 L CB 0.200 42.252 42.059 -0.011 0.000 1.106 598 L HN 0.401 nan 8.230 nan 0.000 0.467 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.105 63.100 0.009 0.000 0.800 599 P CB 0.000 31.702 31.700 0.003 0.000 0.726