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 3edd_1_A DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSTTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGQEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.194 177.300 -0.176 0.000 1.155 3 P CA 0.000 63.016 63.100 -0.141 0.000 0.800 3 P CB 0.000 31.583 31.700 -0.196 0.000 0.726 4 T N -1.770 112.666 114.554 -0.197 0.000 2.729 4 T HA 0.532 4.881 4.350 -0.002 0.000 0.298 4 T C 1.362 175.928 174.700 -0.224 0.000 1.013 4 T CA 0.256 62.251 62.100 -0.175 0.000 0.957 4 T CB 0.489 69.270 68.868 -0.146 0.000 1.130 4 T HN 0.519 nan 8.240 nan 0.000 0.526 5 A N 0.239 122.951 122.820 -0.180 0.000 1.972 5 A HA 0.233 4.551 4.320 -0.002 0.000 0.219 5 A C 1.252 178.661 177.584 -0.292 0.000 1.169 5 A CA 0.864 52.778 52.037 -0.206 0.000 0.635 5 A CB -0.792 18.127 19.000 -0.135 0.000 0.810 5 A HN 0.770 nan 8.150 nan 0.000 0.446 6 I N -1.102 119.313 120.570 -0.258 0.000 2.517 6 I HA 0.211 4.379 4.170 -0.002 0.000 0.280 6 I C 0.488 176.421 176.117 -0.306 0.000 1.061 6 I CA -0.193 60.907 61.300 -0.333 0.000 1.091 6 I CB 1.987 39.786 38.000 -0.336 0.000 1.205 6 I HN 0.184 nan 8.210 nan 0.000 0.459 7 E N 4.009 123.968 120.200 -0.400 0.000 2.140 7 E HA 0.096 4.445 4.350 -0.002 0.000 0.191 7 E C -0.043 176.165 176.600 -0.654 0.000 0.973 7 E CA 1.364 57.483 56.400 -0.467 0.000 0.829 7 E CB 0.457 29.893 29.700 -0.439 0.000 0.781 7 E HN 0.428 nan 8.360 nan 0.000 0.466 8 H N -0.519 118.397 119.070 -0.257 0.000 2.782 8 H HA 0.357 4.911 4.556 -0.002 0.000 0.347 8 H C -1.248 173.945 175.328 -0.226 0.000 1.038 8 H CA -0.782 55.128 56.048 -0.231 0.000 1.255 8 H CB 1.485 31.102 29.762 -0.241 0.000 1.623 8 H HN 0.069 nan 8.280 nan 0.000 0.525 9 M N 3.248 122.754 119.600 -0.157 0.000 2.046 9 M HA 0.282 4.761 4.480 -0.002 0.000 0.309 9 M C -1.232 174.978 176.300 -0.151 0.000 0.935 9 M CA -0.013 55.158 55.300 -0.216 0.000 0.915 9 M CB 0.685 33.014 32.600 -0.452 0.000 1.474 9 M HN 0.464 nan 8.290 nan 0.000 0.415 10 E N 6.571 126.715 120.200 -0.093 0.000 2.224 10 E HA 0.504 4.853 4.350 -0.002 0.000 0.265 10 E C -2.659 173.874 176.600 -0.112 0.000 0.878 10 E CA -2.052 54.209 56.400 -0.231 0.000 0.759 10 E CB 1.881 31.618 29.700 0.062 0.000 1.164 10 E HN 0.433 nan 8.360 nan 0.000 0.414 11 P HA 0.063 nan 4.420 nan 0.000 0.271 11 P C -2.108 174.962 177.300 -0.384 0.000 1.218 11 P CA -1.346 61.373 63.100 -0.634 0.000 0.780 11 P CB 0.729 32.323 31.700 -0.177 0.000 0.901 12 P HA -0.068 nan 4.420 nan 0.000 0.218 12 P C 0.053 177.234 177.300 -0.198 0.000 1.149 12 P CA 1.551 64.453 63.100 -0.329 0.000 0.817 12 P CB -0.121 31.332 31.700 -0.413 0.000 0.785 13 F N -5.006 114.860 119.950 -0.141 0.000 2.686 13 F HA 0.668 5.194 4.527 -0.002 0.000 0.311 13 F C -0.780 175.029 175.800 0.015 0.000 1.128 13 F CA -1.803 55.931 58.000 -0.444 0.000 0.946 13 F CB 0.529 39.240 39.000 -0.482 0.000 1.336 13 F HN -0.152 nan 8.300 nan 0.000 0.457 14 W N 1.245 122.476 121.300 -0.115 0.000 3.349 14 W HA 0.559 5.218 4.660 -0.002 0.000 0.325 14 W C -1.666 174.742 176.519 -0.184 0.000 1.198 14 W CA -0.888 56.492 57.345 0.059 0.000 0.985 14 W CB 2.082 31.795 29.460 0.422 0.000 1.556 14 W HN 0.530 nan 8.180 nan 0.000 0.610 15 W N 1.075 122.353 121.300 -0.037 0.000 2.864 15 W HA 0.541 5.200 4.660 -0.003 0.000 0.343 15 W C -0.324 176.263 176.519 0.113 0.000 1.109 15 W CA -0.901 56.429 57.345 -0.025 0.000 1.192 15 W CB 1.461 30.800 29.460 -0.201 0.000 1.426 15 W HN 0.314 nan 8.180 nan 0.000 0.529 16 A N 0.645 123.666 122.820 0.334 0.000 2.371 16 A HA 0.572 4.891 4.320 -0.002 0.000 0.257 16 A C 0.823 178.541 177.584 0.222 0.000 1.089 16 A CA 0.669 52.872 52.037 0.277 0.000 0.794 16 A CB -0.022 19.115 19.000 0.227 0.000 1.029 16 A HN 1.471 nan 8.150 nan 0.000 0.488 17 G N 1.140 110.053 108.800 0.188 0.000 2.256 17 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.272 17 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.272 17 G C 0.068 175.025 174.900 0.094 0.000 1.076 17 G CA 0.309 45.483 45.100 0.124 0.000 0.882 17 G HN 0.557 nan 8.290 nan 0.000 0.497 18 M N -0.678 119.004 119.600 0.136 0.000 2.227 18 M HA 0.317 4.796 4.480 -0.002 0.000 0.316 18 M C 1.462 177.810 176.300 0.080 0.000 1.144 18 M CA -0.479 54.877 55.300 0.093 0.000 1.121 18 M CB 0.918 33.650 32.600 0.220 0.000 1.440 18 M HN 0.291 nan 8.290 nan 0.000 0.473 19 Q N 1.489 121.305 119.800 0.025 0.000 1.990 19 Q HA -0.127 4.212 4.340 -0.002 0.000 0.200 19 Q C 0.267 176.322 176.000 0.093 0.000 0.980 19 Q CA 1.794 57.612 55.803 0.026 0.000 0.832 19 Q CB -0.337 28.379 28.738 -0.037 0.000 0.897 19 Q HN 0.659 nan 8.270 nan 0.000 0.427 20 H N 0.460 119.562 119.070 0.054 0.000 2.944 20 H HA 0.159 4.714 4.556 -0.002 0.000 0.278 20 H C 0.366 175.790 175.328 0.160 0.000 1.083 20 H CA 0.199 56.301 56.048 0.091 0.000 1.479 20 H CB 0.643 30.461 29.762 0.093 0.000 1.486 20 H HN 0.172 nan 8.280 nan 0.000 0.493 21 K N 3.216 123.504 120.400 -0.186 0.000 2.217 21 K HA 0.050 4.369 4.320 -0.002 0.000 0.202 21 K C 1.138 177.714 176.600 -0.039 0.000 1.051 21 K CA 0.690 56.951 56.287 -0.042 0.000 0.952 21 K CB 0.359 32.828 32.500 -0.051 0.000 0.736 21 K HN 0.707 nan 8.250 nan 0.000 0.453 22 G N 1.166 109.788 108.800 -0.297 0.000 2.569 22 G HA2 0.385 4.344 3.960 -0.002 0.000 0.249 22 G HA3 0.385 4.344 3.960 -0.002 0.000 0.249 22 G C -1.134 173.838 174.900 0.120 0.000 1.216 22 G CA -0.344 44.720 45.100 -0.060 0.000 0.845 22 G HN 0.108 nan 8.290 nan 0.000 0.568 23 L N -0.092 121.139 121.223 0.012 0.000 2.639 23 L HA 0.389 4.728 4.340 -0.002 0.000 0.264 23 L C -0.548 176.262 176.870 -0.100 0.000 0.948 23 L CA -0.484 54.255 54.840 -0.168 0.000 0.912 23 L CB 2.157 43.967 42.059 -0.416 0.000 1.294 23 L HN 0.610 nan 8.230 nan 0.000 0.412 24 Q N 5.094 124.862 119.800 -0.052 0.000 2.360 24 Q HA 0.539 4.878 4.340 -0.002 0.000 0.254 24 Q C -1.455 174.576 176.000 0.052 0.000 0.975 24 Q CA -0.550 55.283 55.803 0.049 0.000 0.912 24 Q CB 1.005 29.825 28.738 0.136 0.000 1.212 24 Q HN 0.773 nan 8.270 nan 0.000 0.452 25 L N 4.679 125.915 121.223 0.021 0.000 2.290 25 L HA 0.339 4.678 4.340 -0.002 0.000 0.284 25 L C 0.141 177.052 176.870 0.067 0.000 1.078 25 L CA -0.192 54.642 54.840 -0.009 0.000 0.815 25 L CB 0.948 42.931 42.059 -0.126 0.000 1.162 25 L HN 0.662 nan 8.230 nan 0.000 0.435 26 M N 4.995 124.650 119.600 0.091 0.000 2.069 26 M HA 0.349 4.828 4.480 -0.002 0.000 0.349 26 M C -1.179 175.094 176.300 -0.045 0.000 1.194 26 M CA -0.494 54.775 55.300 -0.051 0.000 1.081 26 M CB 0.711 33.440 32.600 0.216 0.000 1.500 26 M HN 0.285 nan 8.290 nan 0.000 0.438 27 V N 5.048 124.866 119.914 -0.161 0.000 2.427 27 V HA 0.376 4.494 4.120 -0.002 0.000 0.286 27 V C -0.195 175.817 176.094 -0.138 0.000 1.034 27 V CA -0.649 61.556 62.300 -0.158 0.000 0.893 27 V CB 1.281 32.966 31.823 -0.230 0.000 0.982 27 V HN 0.734 nan 8.190 nan 0.000 0.452 28 H N 2.922 121.849 119.070 -0.239 0.000 2.529 28 H HA 0.770 5.324 4.556 -0.002 0.000 0.348 28 H C -0.255 174.846 175.328 -0.379 0.000 1.079 28 H CA 0.101 55.917 56.048 -0.385 0.000 1.198 28 H CB 2.143 31.799 29.762 -0.176 0.000 1.521 28 H HN 0.906 nan 8.280 nan 0.000 0.514 29 G N 3.858 112.110 108.800 -0.912 0.000 2.377 29 G HA2 0.039 3.998 3.960 -0.002 0.000 0.297 29 G HA3 0.039 3.998 3.960 -0.002 0.000 0.297 29 G C -1.340 173.255 174.900 -0.508 0.000 1.547 29 G CA -1.034 43.641 45.100 -0.709 0.000 0.833 29 G HN 0.561 nan 8.290 nan 0.000 0.583 30 R N 1.118 121.395 120.500 -0.371 0.000 2.513 30 R HA 0.070 4.409 4.340 -0.002 0.000 0.333 30 R C 0.047 176.232 176.300 -0.190 0.000 0.925 30 R CA 0.862 56.822 56.100 -0.234 0.000 1.072 30 R CB -0.374 29.823 30.300 -0.171 0.000 0.914 30 R HN 0.658 nan 8.270 nan 0.000 0.408 31 D N 2.889 123.199 120.400 -0.150 0.000 2.860 31 D HA -0.277 4.362 4.640 -0.002 0.000 0.229 31 D C 1.072 177.296 176.300 -0.127 0.000 1.169 31 D CA 0.974 54.911 54.000 -0.104 0.000 0.737 31 D CB -0.809 39.951 40.800 -0.067 0.000 1.080 31 D HN 0.575 nan 8.370 nan 0.000 0.424 32 I N 0.309 120.755 120.570 -0.206 0.000 2.423 32 I HA -0.109 4.060 4.170 -0.002 0.000 0.254 32 I C 2.304 178.330 176.117 -0.152 0.000 1.151 32 I CA 2.145 63.286 61.300 -0.264 0.000 1.421 32 I CB -0.060 37.687 38.000 -0.423 0.000 1.079 32 I HN 0.186 nan 8.210 nan 0.000 0.431 33 G N -0.180 108.571 108.800 -0.082 0.000 2.679 33 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.212 33 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.212 33 G C 1.507 176.420 174.900 0.023 0.000 1.137 33 G CA -0.059 45.042 45.100 0.002 0.000 0.787 33 G HN 0.362 nan 8.290 nan 0.000 0.534 34 R N -0.456 120.045 120.500 0.001 0.000 2.426 34 R HA 0.339 4.678 4.340 -0.002 0.000 0.263 34 R C 0.071 176.391 176.300 0.033 0.000 0.961 34 R CA 0.060 56.171 56.100 0.017 0.000 1.086 34 R CB 0.165 30.468 30.300 0.004 0.000 1.186 34 R HN 0.333 nan 8.270 nan 0.000 0.537 35 M N 0.299 119.930 119.600 0.052 0.000 2.464 35 M HA 0.263 4.742 4.480 -0.002 0.000 0.308 35 M C -0.392 175.997 176.300 0.149 0.000 1.127 35 M CA -0.649 54.711 55.300 0.100 0.000 0.913 35 M CB 2.833 35.506 32.600 0.121 0.000 1.689 35 M HN -0.082 nan 8.290 nan 0.000 0.445 36 E N 1.485 121.762 120.200 0.129 0.000 2.331 36 E HA 0.593 4.942 4.350 -0.002 0.000 0.272 36 E C -1.267 175.396 176.600 0.105 0.000 1.036 36 E CA -0.330 56.132 56.400 0.104 0.000 0.864 36 E CB 1.272 31.007 29.700 0.059 0.000 1.035 36 E HN 0.751 nan 8.360 nan 0.000 0.408 37 A N 2.491 125.335 122.820 0.040 0.000 2.340 37 A HA 0.807 5.126 4.320 -0.002 0.000 0.331 37 A C -1.117 176.386 177.584 -0.136 0.000 1.140 37 A CA -0.083 51.865 52.037 -0.149 0.000 0.801 37 A CB 1.629 20.542 19.000 -0.145 0.000 1.234 37 A HN 0.657 nan 8.150 nan 0.000 0.469 38 A N 0.784 123.482 122.820 -0.204 0.000 2.594 38 A HA 0.793 5.112 4.320 -0.002 0.000 0.295 38 A C -1.212 176.321 177.584 -0.085 0.000 1.071 38 A CA -0.330 51.645 52.037 -0.104 0.000 0.685 38 A CB 1.141 20.106 19.000 -0.059 0.000 1.285 38 A HN 2.241 nan 8.150 nan 0.000 0.405 39 L N -1.513 119.696 121.223 -0.024 0.000 2.518 39 L HA 0.929 5.268 4.340 -0.002 0.000 0.257 39 L C -1.395 175.477 176.870 0.005 0.000 0.980 39 L CA -0.491 54.371 54.840 0.037 0.000 0.837 39 L CB 2.325 44.443 42.059 0.098 0.000 1.410 39 L HN 0.417 nan 8.230 nan 0.000 0.410 40 D N 1.058 121.480 120.400 0.037 0.000 2.408 40 D HA 0.451 5.090 4.640 -0.002 0.000 0.261 40 D C -2.027 174.292 176.300 0.033 0.000 1.190 40 D CA 0.220 54.228 54.000 0.014 0.000 0.910 40 D CB 0.657 41.475 40.800 0.030 0.000 1.097 40 D HN 0.606 nan 8.370 nan 0.000 0.522 41 Y N 2.522 122.671 120.300 -0.252 0.000 2.479 41 Y HA 0.469 5.018 4.550 -0.002 0.000 0.338 41 Y C -2.543 173.230 175.900 -0.212 0.000 1.055 41 Y CA -2.115 55.801 58.100 -0.306 0.000 1.023 41 Y CB 2.137 40.135 38.460 -0.771 0.000 1.287 41 Y HN 0.153 nan 8.280 nan 0.000 0.447 42 P HA 0.372 nan 4.420 nan 0.000 0.276 42 P C 0.401 177.578 177.300 -0.205 0.000 1.264 42 P CA 1.058 63.962 63.100 -0.328 0.000 0.769 42 P CB 0.964 32.453 31.700 -0.352 0.000 0.840 43 G N 1.857 110.616 108.800 -0.067 0.000 2.307 43 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.210 43 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.210 43 G C -0.167 174.764 174.900 0.052 0.000 1.005 43 G CA -0.238 44.873 45.100 0.017 0.000 0.634 43 G HN 0.512 nan 8.290 nan 0.000 0.496 44 V N 1.798 121.740 119.914 0.047 0.000 2.427 44 V HA 0.744 4.863 4.120 -0.002 0.000 0.286 44 V C 0.459 176.533 176.094 -0.034 0.000 1.034 44 V CA -0.587 61.719 62.300 0.010 0.000 0.893 44 V CB 1.584 33.358 31.823 -0.082 0.000 0.982 44 V HN 0.513 nan 8.190 nan 0.000 0.452 45 R N 3.579 124.071 120.500 -0.013 0.000 2.599 45 R HA 0.566 4.905 4.340 -0.002 0.000 0.295 45 R C -1.389 174.905 176.300 -0.010 0.000 0.963 45 R CA -0.939 55.151 56.100 -0.017 0.000 0.883 45 R CB 1.587 31.882 30.300 -0.008 0.000 1.171 45 R HN 0.561 nan 8.270 nan 0.000 0.450 46 L N 6.483 127.698 121.223 -0.013 0.000 2.295 46 L HA 0.168 4.507 4.340 -0.002 0.000 0.288 46 L C 0.349 177.222 176.870 0.003 0.000 1.079 46 L CA 0.371 55.209 54.840 -0.004 0.000 0.830 46 L CB 1.042 43.094 42.059 -0.012 0.000 1.200 46 L HN 0.659 nan 8.230 nan 0.000 0.438 47 V N 3.284 123.204 119.914 0.011 0.000 2.255 47 V HA 0.030 4.148 4.120 -0.002 0.000 0.243 47 V C 1.036 177.143 176.094 0.021 0.000 1.038 47 V CA 1.471 63.780 62.300 0.014 0.000 1.008 47 V CB -0.596 31.238 31.823 0.018 0.000 0.645 47 V HN 0.956 nan 8.190 nan 0.000 0.449 48 S N -1.344 114.374 115.700 0.031 0.000 2.595 48 S HA 0.506 4.975 4.470 -0.002 0.000 0.270 48 S C -0.702 173.936 174.600 0.063 0.000 1.145 48 S CA -0.206 58.019 58.200 0.041 0.000 0.825 48 S CB 1.918 65.141 63.200 0.039 0.000 1.107 48 S HN 0.502 nan 8.310 nan 0.000 0.461 49 T N -0.682 113.916 114.554 0.074 0.000 2.856 49 T HA 0.766 5.115 4.350 -0.002 0.000 0.283 49 T C -0.717 174.054 174.700 0.118 0.000 1.008 49 T CA -0.614 61.552 62.100 0.110 0.000 0.997 49 T CB 1.539 70.475 68.868 0.113 0.000 0.992 49 T HN 0.680 nan 8.240 nan 0.000 0.454 50 T N 3.337 117.993 114.554 0.171 0.000 2.815 50 T HA 0.561 4.910 4.350 -0.002 0.000 0.289 50 T C -0.020 174.827 174.700 0.244 0.000 1.000 50 T CA -0.928 61.268 62.100 0.160 0.000 0.958 50 T CB 0.763 69.692 68.868 0.101 0.000 0.944 50 T HN 0.847 nan 8.240 nan 0.000 0.442 51 R N 1.253 121.856 120.500 0.171 0.000 2.732 51 R HA 0.877 5.216 4.340 -0.002 0.000 0.278 51 R C -0.525 175.861 176.300 0.145 0.000 0.976 51 R CA -0.910 55.299 56.100 0.181 0.000 0.963 51 R CB 1.084 31.456 30.300 0.122 0.000 1.150 51 R HN 0.406 nan 8.270 nan 0.000 0.478 52 V N -1.884 118.126 119.914 0.160 0.000 3.103 52 V HA 0.472 4.591 4.120 -0.002 0.000 0.318 52 V C -2.022 174.120 176.094 0.079 0.000 1.114 52 V CA -2.299 60.065 62.300 0.108 0.000 1.020 52 V CB 1.560 33.456 31.823 0.122 0.000 1.085 52 V HN 0.606 nan 8.190 nan 0.000 0.446 53 P HA -0.125 nan 4.420 nan 0.000 0.217 53 P C 0.356 177.687 177.300 0.052 0.000 1.148 53 P CA 1.353 64.478 63.100 0.041 0.000 0.828 53 P CB -0.113 31.602 31.700 0.025 0.000 0.783 54 N N -0.086 118.653 118.700 0.066 0.000 2.402 54 N HA 0.162 4.901 4.740 -0.002 0.000 0.252 54 N C 0.966 176.555 175.510 0.132 0.000 1.118 54 N CA 0.086 53.198 53.050 0.103 0.000 0.945 54 N CB 0.496 39.058 38.487 0.125 0.000 1.147 54 N HN -0.126 nan 8.380 nan 0.000 0.495 55 A N 4.083 126.952 122.820 0.082 0.000 2.070 55 A HA -0.128 4.191 4.320 -0.002 0.000 0.220 55 A C 1.417 179.007 177.584 0.010 0.000 1.159 55 A CA 0.965 53.028 52.037 0.044 0.000 0.656 55 A CB -0.234 18.776 19.000 0.016 0.000 0.800 55 A HN 0.705 nan 8.150 nan 0.000 0.453 56 N N -1.201 117.513 118.700 0.023 0.000 2.515 56 N HA 0.101 4.840 4.740 -0.002 0.000 0.191 56 N C -0.969 174.339 175.510 -0.336 0.000 1.182 56 N CA 0.549 53.509 53.050 -0.150 0.000 0.879 56 N CB -0.197 38.218 38.487 -0.121 0.000 0.984 56 N HN 0.600 nan 8.380 nan 0.000 0.453 57 Y N -0.686 119.592 120.300 -0.036 0.000 2.477 57 Y HA 0.529 5.078 4.550 -0.002 0.000 0.347 57 Y C -0.624 175.189 175.900 -0.144 0.000 0.981 57 Y CA -1.187 56.842 58.100 -0.117 0.000 1.033 57 Y CB 1.884 40.237 38.460 -0.178 0.000 1.245 57 Y HN -0.226 nan 8.280 nan 0.000 0.455 58 L N 3.233 124.391 121.223 -0.108 0.000 2.408 58 L HA 0.667 5.005 4.340 -0.002 0.000 0.268 58 L C -2.025 174.721 176.870 -0.207 0.000 0.986 58 L CA -0.802 54.005 54.840 -0.055 0.000 0.820 58 L CB 1.084 43.128 42.059 -0.026 0.000 1.303 58 L HN 0.431 nan 8.230 nan 0.000 0.411 59 F N 4.629 124.643 119.950 0.107 0.000 2.411 59 F HA 0.622 5.148 4.527 -0.002 0.000 0.352 59 F C -0.122 175.729 175.800 0.084 0.000 1.123 59 F CA -0.716 57.344 58.000 0.100 0.000 1.044 59 F CB 1.781 40.837 39.000 0.093 0.000 1.135 59 F HN 0.095 nan 8.300 nan 0.000 0.461 60 V N 2.681 122.713 119.914 0.197 0.000 2.409 60 V HA 0.311 4.430 4.120 -0.002 0.000 0.291 60 V C -0.870 175.274 176.094 0.083 0.000 1.020 60 V CA -0.872 61.502 62.300 0.123 0.000 0.848 60 V CB 1.552 33.425 31.823 0.084 0.000 0.990 60 V HN 0.537 nan 8.190 nan 0.000 0.430 61 D N 4.467 124.911 120.400 0.074 0.000 2.317 61 D HA 0.622 5.261 4.640 -0.002 0.000 0.234 61 D C -0.652 175.661 176.300 0.022 0.000 1.112 61 D CA -0.104 53.926 54.000 0.050 0.000 0.840 61 D CB 1.492 42.327 40.800 0.058 0.000 1.078 61 D HN 0.219 nan 8.370 nan 0.000 0.486 62 L N 2.246 123.471 121.223 0.003 0.000 2.334 62 L HA 0.471 4.810 4.340 -0.002 0.000 0.273 62 L C -0.104 176.775 176.870 0.015 0.000 1.013 62 L CA -0.828 54.015 54.840 0.005 0.000 0.816 62 L CB 1.800 43.858 42.059 -0.002 0.000 1.278 62 L HN 0.240 nan 8.230 nan 0.000 0.431 63 E N 2.242 122.454 120.200 0.021 0.000 2.145 63 E HA 0.490 4.839 4.350 -0.002 0.000 0.262 63 E C -1.236 175.395 176.600 0.053 0.000 0.883 63 E CA -0.091 56.322 56.400 0.021 0.000 0.748 63 E CB 0.703 30.405 29.700 0.004 0.000 1.140 63 E HN 0.407 nan 8.360 nan 0.000 0.417 64 I N 4.505 125.132 120.570 0.095 0.000 2.310 64 I HA 0.363 4.532 4.170 -0.002 0.000 0.287 64 I C 0.938 177.131 176.117 0.127 0.000 1.073 64 I CA -0.622 60.769 61.300 0.152 0.000 1.216 64 I CB 1.246 39.408 38.000 0.270 0.000 1.415 64 I HN 0.540 nan 8.210 nan 0.000 0.480 65 G N 6.749 115.605 108.800 0.093 0.000 2.606 65 G HA2 0.205 4.164 3.960 -0.002 0.000 0.252 65 G HA3 0.205 4.164 3.960 -0.002 0.000 0.252 65 G C -1.310 173.641 174.900 0.085 0.000 1.206 65 G CA -0.874 44.267 45.100 0.068 0.000 0.861 65 G HN 0.421 nan 8.290 nan 0.000 0.561 66 P HA -0.103 nan 4.420 nan 0.000 0.222 66 P C 1.363 178.701 177.300 0.063 0.000 1.147 66 P CA 1.127 64.266 63.100 0.064 0.000 0.790 66 P CB 0.233 31.959 31.700 0.042 0.000 0.780 67 E N 0.552 120.782 120.200 0.050 0.000 2.347 67 E HA -0.012 4.337 4.350 -0.002 0.000 0.196 67 E C 0.804 177.436 176.600 0.053 0.000 1.008 67 E CA 0.129 56.551 56.400 0.038 0.000 0.852 67 E CB -0.910 28.799 29.700 0.014 0.000 0.783 67 E HN 0.065 nan 8.360 nan 0.000 0.505 68 A N 2.283 125.158 122.820 0.092 0.000 2.520 68 A HA 0.062 4.381 4.320 -0.002 0.000 0.245 68 A C 0.270 177.964 177.584 0.182 0.000 1.072 68 A CA -0.126 52.003 52.037 0.153 0.000 0.761 68 A CB 0.237 19.370 19.000 0.223 0.000 1.004 68 A HN 0.131 nan 8.150 nan 0.000 0.499 69 Q N 1.580 121.505 119.800 0.208 0.000 2.214 69 Q HA 0.382 4.721 4.340 -0.002 0.000 0.251 69 Q C -2.457 173.714 176.000 0.286 0.000 0.936 69 Q CA -1.979 53.941 55.803 0.195 0.000 0.894 69 Q CB 0.511 29.321 28.738 0.119 0.000 1.252 69 Q HN 0.466 nan 8.270 nan 0.000 0.448 70 P HA 0.206 nan 4.420 nan 0.000 0.264 70 P C -0.324 177.097 177.300 0.202 0.000 1.193 70 P CA 0.500 63.703 63.100 0.172 0.000 0.763 70 P CB 0.387 32.154 31.700 0.112 0.000 0.810 71 G N 0.894 109.795 108.800 0.169 0.000 2.337 71 G HA2 0.421 4.380 3.960 -0.002 0.000 0.298 71 G HA3 0.421 4.380 3.960 -0.002 0.000 0.298 71 G C -1.264 173.670 174.900 0.056 0.000 1.335 71 G CA -0.304 44.902 45.100 0.176 0.000 0.875 71 G HN 0.602 nan 8.290 nan 0.000 0.579 72 S N -1.153 114.586 115.700 0.065 0.000 2.648 72 S HA 0.968 5.437 4.470 -0.002 0.000 0.305 72 S C -0.655 174.004 174.600 0.098 0.000 1.094 72 S CA -0.336 57.829 58.200 -0.059 0.000 0.983 72 S CB 1.890 65.029 63.200 -0.102 0.000 1.101 72 S HN 2.025 nan 8.310 nan 0.000 0.514 73 F N -1.586 118.303 119.950 -0.101 0.000 2.693 73 F HA 0.643 5.169 4.527 -0.001 0.000 0.309 73 F C -1.521 174.296 175.800 0.027 0.000 1.129 73 F CA -1.121 56.874 58.000 -0.008 0.000 0.948 73 F CB 0.525 39.512 39.000 -0.022 0.000 1.315 73 F HN 0.354 nan 8.300 nan 0.000 0.447 74 D N 2.363 122.868 120.400 0.176 0.000 2.264 74 D HA 0.430 5.069 4.640 -0.002 0.000 0.250 74 D C -0.215 176.172 176.300 0.146 0.000 1.113 74 D CA 0.175 54.228 54.000 0.089 0.000 0.871 74 D CB 1.771 42.618 40.800 0.077 0.000 1.167 74 D HN 0.538 nan 8.370 nan 0.000 0.447 75 I N 2.217 122.820 120.570 0.055 0.000 2.304 75 I HA 0.136 4.305 4.170 -0.002 0.000 0.291 75 I C 0.144 176.106 176.117 -0.258 0.000 1.018 75 I CA -0.807 60.436 61.300 -0.094 0.000 1.260 75 I CB 1.571 39.470 38.000 -0.169 0.000 1.390 75 I HN -0.052 nan 8.210 nan 0.000 0.475 76 V N 8.149 127.888 119.914 -0.292 0.000 2.394 76 V HA 0.439 4.558 4.120 -0.002 0.000 0.282 76 V C -0.839 175.030 176.094 -0.375 0.000 1.031 76 V CA -0.288 61.890 62.300 -0.203 0.000 0.881 76 V CB 1.093 32.886 31.823 -0.050 0.000 0.982 76 V HN 0.441 nan 8.190 nan 0.000 0.451 77 F N 6.032 126.001 119.950 0.032 0.000 2.361 77 F HA 0.625 5.151 4.527 -0.002 0.000 0.364 77 F C 0.292 176.099 175.800 0.013 0.000 1.117 77 F CA -0.594 57.415 58.000 0.016 0.000 1.071 77 F CB 1.488 40.488 39.000 -0.000 0.000 1.188 77 F HN 0.316 nan 8.300 nan 0.000 0.464 78 K N 1.809 122.295 120.400 0.142 0.000 2.164 78 K HA 0.885 5.204 4.320 -0.002 0.000 0.258 78 K C -0.017 176.635 176.600 0.087 0.000 0.951 78 K CA -0.435 55.907 56.287 0.092 0.000 0.844 78 K CB 1.898 34.429 32.500 0.051 0.000 1.099 78 K HN 0.839 nan 8.250 nan 0.000 0.435 79 G N 1.195 110.033 108.800 0.063 0.000 2.359 79 G HA2 0.156 4.115 3.960 -0.002 0.000 0.314 79 G HA3 0.156 4.115 3.960 -0.002 0.000 0.314 79 G C -0.867 174.053 174.900 0.033 0.000 1.364 79 G CA -0.157 44.971 45.100 0.047 0.000 0.978 79 G HN 0.605 nan 8.290 nan 0.000 0.615 80 D N -1.528 118.886 120.400 0.023 0.000 3.070 80 D HA 0.073 4.712 4.640 -0.002 0.000 0.220 80 D C 1.795 178.101 176.300 0.011 0.000 1.176 80 D CA 3.707 57.715 54.000 0.012 0.000 0.924 80 D CB -1.039 39.763 40.800 0.003 0.000 1.124 80 D HN 2.561 nan 8.370 nan 0.000 0.411 81 G N -0.695 108.115 108.800 0.016 0.000 2.198 81 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.260 81 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.260 81 G C 0.339 175.247 174.900 0.014 0.000 1.025 81 G CA 0.763 45.872 45.100 0.014 0.000 0.769 81 G HN 0.640 nan 8.290 nan 0.000 0.507 82 R N -1.046 119.466 120.500 0.020 0.000 2.930 82 R HA 0.819 5.158 4.340 -0.002 0.000 0.257 82 R C -0.758 175.567 176.300 0.041 0.000 1.107 82 R CA -0.277 55.836 56.100 0.022 0.000 0.999 82 R CB 2.074 32.381 30.300 0.010 0.000 1.209 82 R HN 0.332 nan 8.270 nan 0.000 0.486 83 S N 0.416 116.144 115.700 0.047 0.000 2.546 83 S HA 0.394 4.863 4.470 -0.002 0.000 0.272 83 S C -1.660 172.994 174.600 0.090 0.000 1.140 83 S CA -0.697 57.547 58.200 0.074 0.000 0.920 83 S CB 1.358 64.592 63.200 0.056 0.000 1.083 83 S HN 0.433 nan 8.310 nan 0.000 0.476 84 E N 2.184 122.480 120.200 0.159 0.000 2.314 84 E HA 0.486 4.835 4.350 -0.002 0.000 0.272 84 E C -1.188 175.570 176.600 0.264 0.000 0.884 84 E CA -0.800 55.718 56.400 0.197 0.000 0.753 84 E CB 1.979 31.794 29.700 0.190 0.000 1.213 84 E HN 0.500 nan 8.360 nan 0.000 0.432 85 R N 1.017 121.639 120.500 0.203 0.000 2.562 85 R HA 0.486 4.825 4.340 -0.002 0.000 0.298 85 R C -1.452 174.997 176.300 0.248 0.000 0.961 85 R CA -0.635 55.571 56.100 0.178 0.000 0.881 85 R CB 1.018 31.366 30.300 0.078 0.000 1.159 85 R HN 0.498 nan 8.270 nan 0.000 0.450 86 Y N 1.429 121.800 120.300 0.118 0.000 2.354 86 Y HA 0.375 4.924 4.550 -0.002 0.000 0.330 86 Y C -0.557 175.352 175.900 0.015 0.000 1.011 86 Y CA -0.874 57.279 58.100 0.089 0.000 1.099 86 Y CB 1.415 39.983 38.460 0.179 0.000 1.179 86 Y HN 0.429 nan 8.280 nan 0.000 0.442 87 R N 5.008 125.350 120.500 -0.264 0.000 2.288 87 R HA 0.170 4.508 4.340 -0.002 0.000 0.330 87 R C -1.732 174.463 176.300 -0.174 0.000 1.069 87 R CA -0.069 55.901 56.100 -0.216 0.000 0.941 87 R CB 0.175 30.330 30.300 -0.242 0.000 0.998 87 R HN 0.689 nan 8.270 nan 0.000 0.452 88 Y N 3.625 123.668 120.300 -0.428 0.000 2.330 88 Y HA 0.326 4.876 4.550 -0.001 0.000 0.336 88 Y C -0.329 175.240 175.900 -0.552 0.000 1.036 88 Y CA -0.669 57.159 58.100 -0.454 0.000 1.125 88 Y CB 1.001 39.119 38.460 -0.570 0.000 1.194 88 Y HN 0.459 nan 8.280 nan 0.000 0.469 89 R N 5.222 125.316 120.500 -0.678 0.000 2.338 89 R HA 0.472 4.811 4.340 -0.002 0.000 0.317 89 R C -1.850 174.267 176.300 -0.305 0.000 0.968 89 R CA -0.914 54.937 56.100 -0.416 0.000 0.849 89 R CB 0.781 30.857 30.300 -0.373 0.000 1.128 89 R HN 0.561 nan 8.270 nan 0.000 0.448 90 L N 5.120 126.285 121.223 -0.096 0.000 2.272 90 L HA 0.373 4.711 4.340 -0.002 0.000 0.289 90 L C -0.821 176.017 176.870 -0.054 0.000 1.032 90 L CA -0.472 54.387 54.840 0.032 0.000 0.810 90 L CB 1.373 43.561 42.059 0.214 0.000 1.205 90 L HN 0.488 nan 8.230 nan 0.000 0.422 91 L N 2.941 124.050 121.223 -0.191 0.000 2.360 91 L HA 0.704 5.043 4.340 -0.002 0.000 0.271 91 L C 0.389 177.316 176.870 0.094 0.000 1.057 91 L CA -0.180 54.551 54.840 -0.182 0.000 0.803 91 L CB 1.354 43.106 42.059 -0.511 0.000 1.207 91 L HN 0.690 nan 8.230 nan 0.000 0.445 92 A N 2.789 125.684 122.820 0.125 0.000 2.363 92 A HA 0.533 4.852 4.320 -0.002 0.000 0.270 92 A C 0.162 177.903 177.584 0.261 0.000 1.121 92 A CA -0.440 51.702 52.037 0.175 0.000 0.800 92 A CB 0.067 19.129 19.000 0.103 0.000 1.052 92 A HN 0.699 nan 8.150 nan 0.000 0.493 93 R N 1.648 122.282 120.500 0.224 0.000 2.582 93 R HA 0.254 4.593 4.340 -0.002 0.000 0.271 93 R C -0.260 176.080 176.300 0.066 0.000 1.078 93 R CA -0.595 55.583 56.100 0.130 0.000 1.127 93 R CB 0.608 30.927 30.300 0.033 0.000 1.038 93 R HN 0.697 nan 8.270 nan 0.000 0.500 94 E N 2.192 122.404 120.200 0.021 0.000 2.390 94 E HA -0.037 4.312 4.350 -0.002 0.000 0.261 94 E C -0.116 176.484 176.600 0.001 0.000 1.076 94 E CA -0.077 56.327 56.400 0.007 0.000 0.905 94 E CB 0.559 30.248 29.700 -0.018 0.000 0.984 94 E HN 0.274 nan 8.360 nan 0.000 0.427 95 Q N 0.217 120.018 119.800 0.002 0.000 2.239 95 Q HA 0.090 4.429 4.340 -0.002 0.000 0.286 95 Q C 0.705 176.702 176.000 -0.005 0.000 1.102 95 Q CA 0.778 56.581 55.803 0.001 0.000 0.936 95 Q CB 0.341 29.079 28.738 0.000 0.000 1.127 95 Q HN 0.850 nan 8.270 nan 0.000 0.380 96 G N 2.632 111.430 108.800 -0.003 0.000 2.225 96 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.264 96 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.264 96 G C 0.886 175.786 174.900 -0.000 0.000 1.060 96 G CA 0.644 45.742 45.100 -0.003 0.000 0.833 96 G HN 0.597 nan 8.290 nan 0.000 0.498 97 S N -0.589 115.110 115.700 -0.000 0.000 2.355 97 S HA 0.174 4.643 4.470 -0.002 0.000 0.222 97 S C 2.822 177.480 174.600 0.097 0.000 1.031 97 S CA 1.814 60.020 58.200 0.010 0.000 0.993 97 S CB -0.230 62.952 63.200 -0.029 0.000 0.859 97 S HN 1.674 nan 8.310 nan 0.000 0.453 98 A N 0.761 123.619 122.820 0.063 0.000 1.930 98 A HA 0.034 4.353 4.320 -0.002 0.000 0.217 98 A C 2.023 179.663 177.584 0.093 0.000 1.175 98 A CA 1.100 53.175 52.037 0.063 0.000 0.627 98 A CB -0.445 18.523 19.000 -0.053 0.000 0.815 98 A HN 0.562 nan 8.150 nan 0.000 0.443 99 Q N 0.290 120.118 119.800 0.045 0.000 2.282 99 Q HA 0.023 4.362 4.340 -0.002 0.000 0.205 99 Q C 0.103 176.115 176.000 0.021 0.000 0.915 99 Q CA -0.028 55.792 55.803 0.027 0.000 0.949 99 Q CB -0.245 28.497 28.738 0.006 0.000 1.035 99 Q HN 0.837 nan 8.270 nan 0.000 0.484 100 R N 0.243 120.763 120.500 0.033 0.000 2.638 100 R HA 0.036 4.375 4.340 -0.002 0.000 0.268 100 R C 0.071 176.359 176.300 -0.021 0.000 1.006 100 R CA -0.134 55.962 56.100 -0.008 0.000 1.088 100 R CB 0.214 30.489 30.300 -0.041 0.000 0.950 100 R HN -0.246 nan 8.270 nan 0.000 0.419 101 Q N 2.372 122.153 119.800 -0.031 0.000 2.307 101 Q HA 0.223 4.562 4.340 -0.002 0.000 0.261 101 Q C -0.178 175.797 176.000 -0.043 0.000 1.051 101 Q CA 0.392 56.173 55.803 -0.038 0.000 0.911 101 Q CB 1.061 29.779 28.738 -0.033 0.000 1.227 101 Q HN 0.784 nan 8.270 nan 0.000 0.418 102 G N 3.132 111.888 108.800 -0.075 0.000 2.634 102 G HA2 0.293 4.252 3.960 -0.002 0.000 0.255 102 G HA3 0.293 4.252 3.960 -0.002 0.000 0.255 102 G C -0.584 174.263 174.900 -0.088 0.000 1.205 102 G CA -0.600 44.430 45.100 -0.116 0.000 0.884 102 G HN 0.741 nan 8.290 nan 0.000 0.549 103 F N -0.327 119.594 119.950 -0.048 0.000 2.484 103 F HA 0.631 5.157 4.527 -0.002 0.000 0.360 103 F C 0.543 176.310 175.800 -0.055 0.000 1.101 103 F CA -0.660 57.312 58.000 -0.047 0.000 1.251 103 F CB 0.614 39.596 39.000 -0.031 0.000 1.132 103 F HN 0.570 nan 8.300 nan 0.000 0.570 104 G N 2.335 111.163 108.800 0.047 0.000 3.022 104 G HA2 0.531 4.490 3.960 -0.002 0.000 0.284 104 G HA3 0.531 4.490 3.960 -0.002 0.000 0.284 104 G C -2.643 172.241 174.900 -0.027 0.000 1.375 104 G CA -1.699 43.372 45.100 -0.049 0.000 0.902 104 G HN 0.295 nan 8.290 nan 0.000 0.538 105 P HA -0.050 nan 4.420 nan 0.000 0.217 105 P C 1.931 179.108 177.300 -0.205 0.000 1.148 105 P CA 1.750 64.808 63.100 -0.069 0.000 0.828 105 P CB 0.123 31.799 31.700 -0.039 0.000 0.783 106 G N -0.806 107.748 108.800 -0.410 0.000 2.408 106 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.217 106 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.217 106 G C 0.633 175.240 174.900 -0.488 0.000 1.150 106 G CA 0.347 44.876 45.100 -0.951 0.000 0.776 106 G HN 0.221 nan 8.290 nan 0.000 0.542 107 D N 0.470 120.754 120.400 -0.193 0.000 2.360 107 D HA 0.481 5.120 4.640 -0.002 0.000 0.242 107 D C 0.059 176.366 176.300 0.011 0.000 1.184 107 D CA 0.552 54.524 54.000 -0.047 0.000 0.930 107 D CB 1.498 42.338 40.800 0.067 0.000 1.161 107 D HN 0.201 nan 8.370 nan 0.000 0.447 108 A N 1.326 124.197 122.820 0.084 0.000 2.374 108 A HA 0.585 4.904 4.320 -0.002 0.000 0.305 108 A C -0.572 177.253 177.584 0.401 0.000 1.053 108 A CA -0.664 51.502 52.037 0.215 0.000 0.726 108 A CB 0.870 19.922 19.000 0.087 0.000 1.229 108 A HN 0.452 nan 8.150 nan 0.000 0.431 109 I N 1.690 122.500 120.570 0.400 0.000 2.377 109 I HA 0.302 4.471 4.170 -0.002 0.000 0.293 109 I C -0.957 175.259 176.117 0.165 0.000 0.987 109 I CA -0.626 60.826 61.300 0.253 0.000 1.185 109 I CB 1.432 39.500 38.000 0.113 0.000 1.341 109 I HN 0.699 nan 8.210 nan 0.000 0.455 110 Y N 5.978 126.155 120.300 -0.205 0.000 2.331 110 Y HA 0.292 4.840 4.550 -0.002 0.000 0.338 110 Y C -0.161 175.570 175.900 -0.282 0.000 0.976 110 Y CA -0.366 57.440 58.100 -0.491 0.000 1.137 110 Y CB 1.089 39.148 38.460 -0.668 0.000 1.172 110 Y HN 0.516 nan 8.280 nan 0.000 0.478 111 Q N 7.562 127.011 119.800 -0.584 0.000 2.290 111 Q HA 0.569 4.908 4.340 -0.002 0.000 0.259 111 Q C -1.234 174.309 176.000 -0.762 0.000 0.941 111 Q CA -0.789 54.608 55.803 -0.676 0.000 0.912 111 Q CB 0.983 29.275 28.738 -0.744 0.000 1.244 111 Q HN 0.850 nan 8.270 nan 0.000 0.441 112 I N 0.021 120.161 120.570 -0.717 0.000 2.892 112 I HA 0.518 4.687 4.170 -0.002 0.000 0.306 112 I C -0.779 175.099 176.117 -0.399 0.000 1.078 112 I CA -1.144 59.804 61.300 -0.586 0.000 1.032 112 I CB 2.216 39.744 38.000 -0.786 0.000 1.229 112 I HN 0.477 nan 8.210 nan 0.000 0.435 113 M N 4.911 124.415 119.600 -0.159 0.000 2.055 113 M HA 0.322 4.801 4.480 -0.002 0.000 0.347 113 M C -1.735 174.587 176.300 0.037 0.000 1.123 113 M CA -1.657 53.604 55.300 -0.065 0.000 1.035 113 M CB 1.536 34.199 32.600 0.105 0.000 1.484 113 M HN 0.463 nan 8.290 nan 0.000 0.428 114 P HA -0.235 nan 4.420 nan 0.000 0.216 114 P C 0.728 178.148 177.300 0.198 0.000 1.154 114 P CA 1.767 64.831 63.100 -0.060 0.000 0.865 114 P CB 0.138 31.529 31.700 -0.514 0.000 0.789 115 D N -1.175 119.428 120.400 0.339 0.000 2.219 115 D HA -0.123 4.516 4.640 -0.002 0.000 0.205 115 D C 1.567 178.190 176.300 0.539 0.000 0.970 115 D CA 0.796 55.108 54.000 0.520 0.000 0.851 115 D CB 0.004 41.133 40.800 0.549 0.000 0.943 115 D HN -0.114 nan 8.370 nan 0.000 0.488 116 R N -0.662 120.119 120.500 0.467 0.000 2.393 116 R HA 0.124 4.462 4.340 -0.002 0.000 0.244 116 R C 0.786 177.485 176.300 0.666 0.000 0.920 116 R CA -0.134 56.278 56.100 0.520 0.000 1.076 116 R CB -0.375 30.094 30.300 0.281 0.000 1.119 116 R HN 0.290 nan 8.270 nan 0.000 0.524 117 F N 0.553 120.720 119.950 0.363 0.000 2.287 117 F HA 0.485 5.011 4.527 -0.001 0.000 0.276 117 F C -0.107 175.806 175.800 0.188 0.000 1.047 117 F CA -0.013 58.120 58.000 0.220 0.000 1.194 117 F CB 0.255 39.277 39.000 0.037 0.000 1.118 117 F HN -0.114 nan 8.300 nan 0.000 0.556 118 A N 0.747 123.379 122.820 -0.313 0.000 2.465 118 A HA 0.421 4.740 4.320 -0.002 0.000 0.292 118 A C -1.544 175.649 177.584 -0.651 0.000 1.041 118 A CA -0.615 51.046 52.037 -0.626 0.000 0.718 118 A CB 0.353 19.010 19.000 -0.572 0.000 1.266 118 A HN 0.224 nan 8.150 nan 0.000 0.403 119 N N 2.110 120.165 118.700 -1.075 0.000 2.868 119 N HA 0.284 5.023 4.740 -0.002 0.000 0.252 119 N C 1.177 176.465 175.510 -0.370 0.000 1.130 119 N CA 0.478 53.076 53.050 -0.753 0.000 1.026 119 N CB 0.812 38.618 38.487 -1.135 0.000 1.335 119 N HN 0.752 nan 8.380 nan 0.000 0.516 120 G N 0.943 109.620 108.800 -0.206 0.000 2.572 120 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.216 120 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.216 120 G C 0.189 175.042 174.900 -0.079 0.000 1.133 120 G CA 0.197 45.225 45.100 -0.120 0.000 0.791 120 G HN 0.540 nan 8.290 nan 0.000 0.538 121 D N -0.738 119.623 120.400 -0.064 0.000 2.336 121 D HA 0.238 4.877 4.640 -0.002 0.000 0.248 121 D C -2.256 174.036 176.300 -0.013 0.000 1.326 121 D CA -1.371 52.614 54.000 -0.025 0.000 0.973 121 D CB 2.194 42.995 40.800 0.001 0.000 1.255 121 D HN -0.098 nan 8.370 nan 0.000 0.558 122 P HA -0.089 nan 4.420 nan 0.000 0.226 122 P C 1.373 178.692 177.300 0.031 0.000 1.153 122 P CA 0.704 63.819 63.100 0.024 0.000 0.777 122 P CB 0.222 31.942 31.700 0.034 0.000 0.794 123 S N -0.241 115.472 115.700 0.021 0.000 2.522 123 S HA -0.073 4.396 4.470 -0.002 0.000 0.227 123 S C 1.380 175.993 174.600 0.021 0.000 0.986 123 S CA 0.688 58.900 58.200 0.020 0.000 0.929 123 S CB -1.214 61.995 63.200 0.016 0.000 0.769 123 S HN 0.184 nan 8.310 nan 0.000 0.529 124 N N 0.419 119.134 118.700 0.024 0.000 2.214 124 N HA 0.151 4.890 4.740 -0.002 0.000 0.214 124 N C 0.097 175.618 175.510 0.017 0.000 1.132 124 N CA 0.021 53.083 53.050 0.021 0.000 0.856 124 N CB -0.167 38.338 38.487 0.029 0.000 1.020 124 N HN 0.086 nan 8.380 nan 0.000 0.509 125 D N 0.265 120.686 120.400 0.035 0.000 2.144 125 D HA -0.044 4.595 4.640 -0.002 0.000 0.199 125 D C -0.170 176.146 176.300 0.026 0.000 0.984 125 D CA 1.130 55.161 54.000 0.051 0.000 0.834 125 D CB -0.004 40.848 40.800 0.086 0.000 0.955 125 D HN 0.367 nan 8.370 nan 0.000 0.465 126 N N -0.061 118.649 118.700 0.017 0.000 2.284 126 N HA 0.355 5.094 4.740 -0.002 0.000 0.300 126 N C -1.195 174.313 175.510 -0.002 0.000 1.047 126 N CA -0.393 52.659 53.050 0.003 0.000 0.821 126 N CB 3.216 41.706 38.487 0.007 0.000 1.337 126 N HN -0.231 nan 8.380 nan 0.000 0.482 127 V N 1.171 121.078 119.914 -0.012 0.000 2.531 127 V HA 0.417 4.536 4.120 -0.002 0.000 0.301 127 V C 0.215 176.302 176.094 -0.011 0.000 1.034 127 V CA -1.036 61.259 62.300 -0.010 0.000 0.865 127 V CB 1.495 33.310 31.823 -0.014 0.000 0.995 127 V HN 0.813 nan 8.190 nan 0.000 0.424 128 A N 3.570 126.386 122.820 -0.006 0.000 2.566 128 A HA 0.510 4.829 4.320 -0.002 0.000 0.245 128 A C 1.517 179.094 177.584 -0.011 0.000 1.056 128 A CA 1.129 53.161 52.037 -0.008 0.000 0.757 128 A CB -0.504 18.494 19.000 -0.005 0.000 0.979 128 A HN 2.173 nan 8.150 nan 0.000 0.508 129 G N 1.735 110.526 108.800 -0.014 0.000 2.475 129 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.209 129 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.209 129 G C 0.396 175.281 174.900 -0.025 0.000 1.127 129 G CA 0.045 45.136 45.100 -0.016 0.000 0.681 129 G HN 0.739 nan 8.290 nan 0.000 0.517 130 M N 1.610 121.193 119.600 -0.028 0.000 2.251 130 M HA 0.251 4.730 4.480 -0.002 0.000 0.343 130 M C 1.717 177.988 176.300 -0.049 0.000 1.245 130 M CA 0.468 55.743 55.300 -0.041 0.000 1.061 130 M CB 0.354 32.928 32.600 -0.043 0.000 1.723 130 M HN 0.443 nan 8.290 nan 0.000 0.449 131 R N 1.418 121.875 120.500 -0.070 0.000 2.064 131 R HA -0.067 4.272 4.340 -0.002 0.000 0.228 131 R C 0.535 176.798 176.300 -0.062 0.000 1.144 131 R CA 1.094 57.143 56.100 -0.084 0.000 0.932 131 R CB -0.038 30.173 30.300 -0.148 0.000 0.833 131 R HN 0.666 nan 8.270 nan 0.000 0.429 132 E N 1.784 121.950 120.200 -0.056 0.000 2.324 132 E HA -0.045 4.304 4.350 -0.002 0.000 0.271 132 E C -0.635 175.952 176.600 -0.022 0.000 1.028 132 E CA -0.288 56.089 56.400 -0.037 0.000 0.890 132 E CB 0.640 30.323 29.700 -0.028 0.000 1.004 132 E HN 0.043 nan 8.360 nan 0.000 0.431 133 Q N 1.657 121.449 119.800 -0.014 0.000 2.293 133 Q HA 0.309 4.648 4.340 -0.002 0.000 0.251 133 Q C -0.526 175.484 176.000 0.017 0.000 0.930 133 Q CA -0.342 55.460 55.803 -0.003 0.000 0.893 133 Q CB 1.652 30.385 28.738 -0.008 0.000 1.215 133 Q HN 0.598 nan 8.270 nan 0.000 0.425 134 A N 2.289 125.126 122.820 0.028 0.000 2.450 134 A HA 0.244 4.563 4.320 -0.002 0.000 0.255 134 A C -0.284 177.328 177.584 0.047 0.000 1.096 134 A CA -0.063 52.008 52.037 0.057 0.000 0.778 134 A CB 0.175 19.218 19.000 0.072 0.000 1.031 134 A HN 0.587 nan 8.150 nan 0.000 0.494 135 D N 1.280 121.716 120.400 0.061 0.000 2.479 135 D HA 0.196 4.835 4.640 -0.002 0.000 0.246 135 D C 0.746 177.007 176.300 -0.066 0.000 1.336 135 D CA -0.477 53.532 54.000 0.015 0.000 0.967 135 D CB 0.943 41.767 40.800 0.039 0.000 1.275 135 D HN 0.544 nan 8.370 nan 0.000 0.577 136 R N 2.582 122.953 120.500 -0.215 0.000 2.235 136 R HA 0.071 4.410 4.340 -0.002 0.000 0.213 136 R C 1.348 177.229 176.300 -0.699 0.000 1.059 136 R CA 0.662 56.378 56.100 -0.640 0.000 0.997 136 R CB 0.330 30.342 30.300 -0.480 0.000 0.884 136 R HN 0.329 nan 8.270 nan 0.000 0.462 137 R N -1.157 119.164 120.500 -0.299 0.000 2.240 137 R HA -0.007 4.332 4.340 -0.002 0.000 0.203 137 R C 0.459 176.736 176.300 -0.038 0.000 1.011 137 R CA 0.337 56.333 56.100 -0.173 0.000 1.007 137 R CB -0.025 30.217 30.300 -0.096 0.000 0.911 137 R HN 0.301 nan 8.270 nan 0.000 0.468 138 H N -0.337 118.672 119.070 -0.102 0.000 2.552 138 H HA 0.116 4.671 4.556 -0.002 0.000 0.311 138 H C 0.888 176.288 175.328 0.120 0.000 1.071 138 H CA -0.405 55.644 56.048 0.001 0.000 1.307 138 H CB 1.486 31.244 29.762 -0.007 0.000 1.416 138 H HN 0.131 nan 8.280 nan 0.000 0.464 139 G N 2.880 111.626 108.800 -0.089 0.000 2.499 139 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.221 139 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.221 139 G C 1.231 175.864 174.900 -0.445 0.000 1.109 139 G CA 0.696 45.691 45.100 -0.175 0.000 0.749 139 G HN 0.685 nan 8.290 nan 0.000 0.568 140 G N -0.486 107.800 108.800 -0.856 0.000 3.324 140 G HA2 0.488 4.447 3.960 -0.002 0.000 0.251 140 G HA3 0.488 4.447 3.960 -0.002 0.000 0.251 140 G C 0.680 175.321 174.900 -0.432 0.000 1.072 140 G CA 0.474 45.285 45.100 -0.481 0.000 0.787 140 G HN 0.589 nan 8.290 nan 0.000 0.537 141 G N -0.050 108.477 108.800 -0.455 0.000 2.557 141 G HA2 0.481 4.439 3.960 -0.002 0.000 0.292 141 G HA3 0.481 4.439 3.960 -0.002 0.000 0.292 141 G C -0.276 174.639 174.900 0.024 0.000 1.237 141 G CA -0.914 44.190 45.100 0.007 0.000 0.978 141 G HN 0.224 nan 8.290 nan 0.000 0.498 142 R N -0.410 120.175 120.500 0.142 0.000 2.267 142 R HA 0.203 4.542 4.340 -0.002 0.000 0.319 142 R C 0.317 176.800 176.300 0.304 0.000 1.067 142 R CA -0.201 56.009 56.100 0.183 0.000 0.936 142 R CB 0.716 31.089 30.300 0.122 0.000 1.006 142 R HN 0.724 nan 8.270 nan 0.000 0.452 143 H N 0.983 120.123 119.070 0.116 0.000 2.592 143 H HA 0.093 4.648 4.556 -0.002 0.000 0.265 143 H C 1.136 176.761 175.328 0.496 0.000 0.955 143 H CA 0.373 56.516 56.048 0.159 0.000 1.175 143 H CB 0.940 30.707 29.762 0.009 0.000 1.433 143 H HN 1.020 nan 8.280 nan 0.000 0.537 144 G N 0.740 109.868 108.800 0.548 0.000 2.184 144 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.206 144 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.206 144 G C 0.698 175.759 174.900 0.268 0.000 0.995 144 G CA -0.174 45.166 45.100 0.400 0.000 0.651 144 G HN 0.596 nan 8.290 nan 0.000 0.511 145 G N 0.464 109.493 108.800 0.381 0.000 2.432 145 G HA2 0.557 4.516 3.960 -0.002 0.000 0.239 145 G HA3 0.557 4.516 3.960 -0.002 0.000 0.239 145 G C -0.044 175.023 174.900 0.279 0.000 1.291 145 G CA 0.962 46.153 45.100 0.152 0.000 0.863 145 G HN 1.042 nan 8.290 nan 0.000 0.560 146 D N -0.210 120.292 120.400 0.171 0.000 2.626 146 D HA 0.246 4.885 4.640 -0.002 0.000 0.278 146 D C 1.056 177.451 176.300 0.158 0.000 1.211 146 D CA -0.920 53.235 54.000 0.259 0.000 0.903 146 D CB 0.578 41.484 40.800 0.177 0.000 1.408 146 D HN 0.198 nan 8.370 nan 0.000 0.454 147 I N -0.747 119.924 120.570 0.169 0.000 2.208 147 I HA -0.210 3.959 4.170 -0.002 0.000 0.245 147 I C 2.506 178.676 176.117 0.089 0.000 1.097 147 I CA 1.100 62.477 61.300 0.128 0.000 1.363 147 I CB -0.257 37.844 38.000 0.168 0.000 1.051 147 I HN 0.401 nan 8.210 nan 0.000 0.413 148 R N 1.449 121.990 120.500 0.068 0.000 2.096 148 R HA -0.173 4.166 4.340 -0.002 0.000 0.240 148 R C 2.269 178.564 176.300 -0.009 0.000 1.139 148 R CA 2.035 58.147 56.100 0.019 0.000 0.952 148 R CB -1.050 29.253 30.300 0.005 0.000 0.854 148 R HN 0.388 nan 8.270 nan 0.000 0.436 149 G N -1.425 107.369 108.800 -0.009 0.000 2.418 149 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.217 149 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.217 149 G C 1.345 176.294 174.900 0.081 0.000 1.158 149 G CA 1.283 46.363 45.100 -0.033 0.000 0.771 149 G HN 0.435 nan 8.290 nan 0.000 0.545 150 T N 1.254 115.924 114.554 0.192 0.000 2.777 150 T HA -0.016 4.333 4.350 -0.002 0.000 0.266 150 T C 2.394 177.214 174.700 0.201 0.000 1.040 150 T CA 0.886 63.205 62.100 0.364 0.000 1.141 150 T CB -0.131 68.889 68.868 0.254 0.000 0.868 150 T HN 0.246 nan 8.240 nan 0.000 0.444 151 I N 1.433 122.048 120.570 0.076 0.000 2.226 151 I HA -0.181 3.988 4.170 -0.002 0.000 0.245 151 I C 2.233 178.315 176.117 -0.059 0.000 1.100 151 I CA 1.177 62.482 61.300 0.008 0.000 1.374 151 I CB -0.399 37.593 38.000 -0.012 0.000 1.057 151 I HN 0.123 nan 8.210 nan 0.000 0.413 152 D N -0.068 120.246 120.400 -0.145 0.000 2.221 152 D HA -0.176 4.463 4.640 -0.002 0.000 0.204 152 D C 1.397 177.336 176.300 -0.602 0.000 0.982 152 D CA 1.382 55.149 54.000 -0.387 0.000 0.857 152 D CB -0.199 40.285 40.800 -0.526 0.000 0.934 152 D HN 0.495 nan 8.370 nan 0.000 0.475 153 H N -0.704 118.267 119.070 -0.166 0.000 2.567 153 H HA 0.236 4.791 4.556 -0.001 0.000 0.267 153 H C 1.700 177.082 175.328 0.090 0.000 1.148 153 H CA -0.137 55.800 56.048 -0.185 0.000 1.031 153 H CB 0.470 29.845 29.762 -0.644 0.000 1.691 153 H HN 0.088 nan 8.280 nan 0.000 0.588 154 L N -0.002 121.293 121.223 0.120 0.000 2.191 154 L HA -0.163 4.176 4.340 -0.002 0.000 0.212 154 L C 1.499 178.419 176.870 0.083 0.000 1.103 154 L CA 1.278 56.178 54.840 0.100 0.000 0.769 154 L CB -0.043 42.036 42.059 0.035 0.000 0.908 154 L HN 0.115 nan 8.230 nan 0.000 0.438 155 D N -1.249 119.200 120.400 0.081 0.000 2.144 155 D HA -0.223 4.416 4.640 -0.002 0.000 0.200 155 D C 1.854 178.238 176.300 0.139 0.000 0.978 155 D CA 0.880 54.927 54.000 0.079 0.000 0.833 155 D CB -0.123 40.709 40.800 0.054 0.000 0.961 155 D HN 0.279 nan 8.370 nan 0.000 0.470 156 Y N 1.179 121.547 120.300 0.113 0.000 2.165 156 Y HA -0.185 4.364 4.550 -0.002 0.000 0.286 156 Y C 1.767 177.717 175.900 0.085 0.000 1.155 156 Y CA 1.362 59.573 58.100 0.184 0.000 1.164 156 Y CB -0.300 38.402 38.460 0.403 0.000 0.978 156 Y HN -0.036 nan 8.280 nan 0.000 0.513 157 I N 0.112 120.640 120.570 -0.070 0.000 2.202 157 I HA -0.251 3.918 4.170 -0.002 0.000 0.242 157 I C 2.696 178.728 176.117 -0.143 0.000 1.091 157 I CA 1.248 62.349 61.300 -0.331 0.000 1.368 157 I CB -0.827 37.029 38.000 -0.241 0.000 1.058 157 I HN 0.289 nan 8.210 nan 0.000 0.410 158 A N 0.906 123.698 122.820 -0.047 0.000 1.930 158 A HA -0.085 4.234 4.320 -0.002 0.000 0.217 158 A C 2.404 179.962 177.584 -0.043 0.000 1.175 158 A CA 1.753 53.778 52.037 -0.020 0.000 0.627 158 A CB -1.365 17.633 19.000 -0.004 0.000 0.815 158 A HN 0.474 nan 8.150 nan 0.000 0.443 159 G N -0.524 108.247 108.800 -0.049 0.000 2.443 159 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.219 159 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.219 159 G C 1.463 176.307 174.900 -0.093 0.000 1.131 159 G CA 0.792 45.866 45.100 -0.043 0.000 0.775 159 G HN 0.432 nan 8.290 nan 0.000 0.547 160 L N -0.260 120.858 121.223 -0.174 0.000 2.201 160 L HA 0.158 4.497 4.340 -0.002 0.000 0.212 160 L C 2.135 178.841 176.870 -0.273 0.000 1.105 160 L CA 0.997 55.725 54.840 -0.187 0.000 0.775 160 L CB 0.055 42.025 42.059 -0.149 0.000 0.913 160 L HN 0.438 nan 8.230 nan 0.000 0.440 161 G N -1.577 107.067 108.800 -0.260 0.000 2.183 161 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.168 161 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.168 161 G C -0.053 174.589 174.900 -0.431 0.000 1.008 161 G CA -0.715 44.183 45.100 -0.336 0.000 0.677 161 G HN 0.076 nan 8.290 nan 0.000 0.498 162 F N 1.290 121.182 119.950 -0.098 0.000 2.385 162 F HA 0.569 5.094 4.527 -0.002 0.000 0.336 162 F C 1.621 177.396 175.800 -0.042 0.000 1.100 162 F CA 0.475 58.444 58.000 -0.051 0.000 1.116 162 F CB 1.908 40.889 39.000 -0.032 0.000 1.166 162 F HN 0.058 nan 8.300 nan 0.000 0.511 163 T N -2.061 112.591 114.554 0.164 0.000 3.040 163 T HA 0.287 4.636 4.350 -0.002 0.000 0.266 163 T C 0.087 174.835 174.700 0.079 0.000 1.005 163 T CA -0.184 61.961 62.100 0.075 0.000 0.906 163 T CB 0.105 68.986 68.868 0.022 0.000 1.082 163 T HN 0.408 nan 8.240 nan 0.000 0.531 164 Q N 0.688 120.559 119.800 0.119 0.000 2.379 164 Q HA 0.608 4.947 4.340 -0.002 0.000 0.278 164 Q C -1.934 174.110 176.000 0.073 0.000 1.068 164 Q CA -0.751 55.090 55.803 0.064 0.000 0.816 164 Q CB 3.047 31.791 28.738 0.010 0.000 1.387 164 Q HN 0.306 nan 8.270 nan 0.000 0.413 165 L N 2.448 123.691 121.223 0.033 0.000 2.343 165 L HA 0.556 4.895 4.340 -0.002 0.000 0.278 165 L C -1.745 175.158 176.870 0.056 0.000 0.996 165 L CA -0.315 54.542 54.840 0.028 0.000 0.831 165 L CB 1.029 43.084 42.059 -0.006 0.000 1.232 165 L HN 0.689 nan 8.230 nan 0.000 0.413 166 W N 9.980 131.187 121.300 -0.155 0.000 2.322 166 W HA 0.627 5.286 4.660 -0.002 0.000 0.321 166 W C -2.682 173.730 176.519 -0.178 0.000 0.991 166 W CA -2.961 54.282 57.345 -0.171 0.000 1.448 166 W CB 0.632 29.968 29.460 -0.205 0.000 1.239 166 W HN 0.365 nan 8.180 nan 0.000 0.399 167 P HA 0.190 nan 4.420 nan 0.000 0.282 167 P C 0.339 177.479 177.300 -0.267 0.000 1.249 167 P CA 0.039 62.947 63.100 -0.320 0.000 0.806 167 P CB 1.307 32.902 31.700 -0.176 0.000 0.984 168 T N 0.428 114.726 114.554 -0.427 0.000 2.734 168 T HA 0.202 4.551 4.350 -0.002 0.000 0.314 168 T C -2.281 172.218 174.700 -0.335 0.000 1.057 168 T CA -1.421 60.486 62.100 -0.321 0.000 1.047 168 T CB -1.255 67.346 68.868 -0.446 0.000 0.991 168 T HN 0.245 nan 8.240 nan 0.000 0.540 169 P HA 0.167 nan 4.420 nan 0.000 0.266 169 P C -0.078 177.017 177.300 -0.341 0.000 1.195 169 P CA -0.115 62.745 63.100 -0.401 0.000 0.768 169 P CB 0.248 31.659 31.700 -0.481 0.000 0.838 170 L N 2.205 123.206 121.223 -0.370 0.000 2.731 170 L HA 0.124 4.463 4.340 -0.002 0.000 0.240 170 L C 0.553 177.361 176.870 -0.104 0.000 1.120 170 L CA 0.192 54.855 54.840 -0.294 0.000 0.913 170 L CB 0.022 41.809 42.059 -0.452 0.000 1.213 170 L HN 0.116 nan 8.230 nan 0.000 0.515 171 V N 1.181 120.943 119.914 -0.252 0.000 2.901 171 V HA -0.136 3.983 4.120 -0.002 0.000 0.307 171 V C 1.059 177.120 176.094 -0.055 0.000 1.084 171 V CA -0.048 62.150 62.300 -0.170 0.000 1.184 171 V CB 0.589 32.264 31.823 -0.245 0.000 0.941 171 V HN 0.338 nan 8.190 nan 0.000 0.493 172 E N 4.532 124.722 120.200 -0.016 0.000 2.585 172 E HA -0.078 4.271 4.350 -0.002 0.000 0.252 172 E C -0.048 176.515 176.600 -0.062 0.000 0.981 172 E CA 0.229 56.615 56.400 -0.023 0.000 0.943 172 E CB 0.083 29.779 29.700 -0.007 0.000 0.923 172 E HN 0.667 nan 8.360 nan 0.000 0.486 173 N N 5.076 123.744 118.700 -0.055 0.000 2.904 173 N HA 0.020 4.759 4.740 -0.002 0.000 0.257 173 N C -1.174 174.310 175.510 -0.043 0.000 1.363 173 N CA -0.331 52.688 53.050 -0.051 0.000 0.856 173 N CB 0.680 39.123 38.487 -0.072 0.000 1.166 173 N HN 0.431 nan 8.380 nan 0.000 0.499 174 D N 1.795 122.181 120.400 -0.024 0.000 3.085 174 D HA 0.161 4.800 4.640 -0.002 0.000 0.243 174 D C 0.096 176.382 176.300 -0.023 0.000 1.232 174 D CA -0.203 53.779 54.000 -0.029 0.000 0.913 174 D CB -0.185 40.601 40.800 -0.024 0.000 1.108 174 D HN 0.429 nan 8.370 nan 0.000 0.468 175 A N 0.077 122.899 122.820 0.005 0.000 2.304 175 A HA 0.612 4.931 4.320 -0.002 0.000 0.271 175 A C 1.403 178.967 177.584 -0.033 0.000 1.091 175 A CA 0.084 52.155 52.037 0.056 0.000 0.812 175 A CB 0.907 19.973 19.000 0.110 0.000 1.056 175 A HN 0.329 nan 8.150 nan 0.000 0.489 176 A N 0.320 123.124 122.820 -0.026 0.000 1.970 176 A HA 0.489 4.808 4.320 -0.002 0.000 0.216 176 A C 1.125 178.689 177.584 -0.034 0.000 1.170 176 A CA 1.576 53.584 52.037 -0.049 0.000 0.645 176 A CB -0.345 18.642 19.000 -0.023 0.000 0.816 176 A HN 2.039 nan 8.150 nan 0.000 0.447 177 A N -2.647 120.172 122.820 -0.002 0.000 2.475 177 A HA 0.578 4.897 4.320 -0.002 0.000 0.301 177 A C -0.395 177.182 177.584 -0.011 0.000 1.059 177 A CA -0.665 51.287 52.037 -0.142 0.000 0.710 177 A CB 0.233 19.088 19.000 -0.241 0.000 1.288 177 A HN 0.967 nan 8.150 nan 0.000 0.408 178 Y N 0.712 121.092 120.300 0.134 0.000 3.078 178 Y HA -0.276 4.273 4.550 -0.002 0.000 0.202 178 Y C 1.584 177.382 175.900 -0.170 0.000 1.322 178 Y CA 0.862 59.034 58.100 0.120 0.000 1.118 178 Y CB -2.425 36.149 38.460 0.190 0.000 1.343 178 Y HN 0.988 nan 8.280 nan 0.000 0.499 179 S N -1.604 114.097 115.700 0.001 0.000 2.528 179 S HA -0.085 4.384 4.470 -0.002 0.000 0.219 179 S C 1.635 176.149 174.600 -0.144 0.000 0.985 179 S CA 0.382 58.505 58.200 -0.129 0.000 0.914 179 S CB -0.472 62.698 63.200 -0.051 0.000 0.776 179 S HN 0.670 nan 8.310 nan 0.000 0.526 180 Y N 3.212 123.453 120.300 -0.099 0.000 2.274 180 Y HA -0.116 4.432 4.550 -0.002 0.000 0.290 180 Y C 2.364 178.315 175.900 0.085 0.000 1.145 180 Y CA 1.292 59.402 58.100 0.017 0.000 1.203 180 Y CB -1.483 36.999 38.460 0.038 0.000 0.984 180 Y HN 0.632 nan 8.280 nan 0.000 0.533 181 H N -1.152 117.499 119.070 -0.699 0.000 2.462 181 H HA 0.164 4.719 4.556 -0.002 0.000 0.292 181 H C 1.990 177.164 175.328 -0.257 0.000 1.049 181 H CA 0.679 56.419 56.048 -0.514 0.000 1.334 181 H CB -0.410 29.104 29.762 -0.415 0.000 1.404 181 H HN 0.499 nan 8.280 nan 0.000 0.544 182 G N 0.656 109.418 108.800 -0.064 0.000 2.195 182 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.246 182 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.246 182 G C 0.381 175.190 174.900 -0.151 0.000 0.984 182 G CA 0.405 45.418 45.100 -0.144 0.000 0.633 182 G HN 0.548 nan 8.290 nan 0.000 0.525 183 Y N 0.814 121.295 120.300 0.302 0.000 2.471 183 Y HA 0.559 5.108 4.550 -0.001 0.000 0.286 183 Y C 1.797 177.785 175.900 0.147 0.000 1.188 183 Y CA 0.708 58.886 58.100 0.131 0.000 1.286 183 Y CB 0.552 39.016 38.460 0.006 0.000 1.072 183 Y HN 0.569 nan 8.280 nan 0.000 0.517 184 A N 0.612 123.596 122.820 0.274 0.000 2.938 184 A HA 0.733 5.052 4.320 -0.002 0.000 0.344 184 A C 0.234 177.853 177.584 0.058 0.000 1.142 184 A CA -0.587 51.571 52.037 0.200 0.000 0.841 184 A CB -0.718 18.431 19.000 0.249 0.000 1.083 184 A HN 0.190 nan 8.150 nan 0.000 0.479 185 A N 1.158 123.956 122.820 -0.037 0.000 2.540 185 A HA 0.440 4.759 4.320 -0.002 0.000 0.239 185 A C 1.354 178.891 177.584 -0.078 0.000 1.061 185 A CA 0.884 52.823 52.037 -0.163 0.000 0.758 185 A CB -0.015 18.707 19.000 -0.464 0.000 0.991 185 A HN 1.363 nan 8.150 nan 0.000 0.502 186 T N -1.787 112.660 114.554 -0.177 0.000 2.959 186 T HA 0.272 4.620 4.350 -0.002 0.000 0.254 186 T C -0.144 174.108 174.700 -0.747 0.000 1.003 186 T CA 0.624 62.532 62.100 -0.319 0.000 0.950 186 T CB 0.167 68.978 68.868 -0.095 0.000 1.090 186 T HN 0.595 nan 8.240 nan 0.000 0.503 187 D N 0.107 120.256 120.400 -0.417 0.000 2.613 187 D HA 0.226 4.865 4.640 -0.002 0.000 0.230 187 D C 0.193 176.483 176.300 -0.016 0.000 1.365 187 D CA -0.514 53.372 54.000 -0.190 0.000 0.976 187 D CB 1.002 41.811 40.800 0.014 0.000 1.415 187 D HN 0.068 nan 8.370 nan 0.000 0.589 188 H N 2.612 121.756 119.070 0.123 0.000 2.546 188 H HA -0.031 4.524 4.556 -0.002 0.000 0.277 188 H C 0.160 175.547 175.328 0.099 0.000 1.004 188 H CA 0.939 57.064 56.048 0.127 0.000 1.231 188 H CB 0.754 30.598 29.762 0.136 0.000 1.382 188 H HN 0.468 nan 8.280 nan 0.000 0.580 189 Y N -0.281 120.191 120.300 0.288 0.000 2.660 189 Y HA 0.260 4.808 4.550 -0.002 0.000 0.254 189 Y C 0.530 176.529 175.900 0.166 0.000 1.176 189 Y CA -0.206 57.900 58.100 0.010 0.000 1.195 189 Y CB 0.902 39.135 38.460 -0.379 0.000 1.190 189 Y HN -0.139 nan 8.280 nan 0.000 0.535 190 R N 0.790 121.551 120.500 0.435 0.000 2.538 190 R HA 0.398 4.737 4.340 -0.002 0.000 0.292 190 R C -1.152 175.350 176.300 0.336 0.000 1.008 190 R CA -0.660 55.657 56.100 0.362 0.000 0.896 190 R CB 0.944 31.370 30.300 0.211 0.000 1.187 190 R HN -0.043 nan 8.270 nan 0.000 0.440 191 I N 3.097 123.888 120.570 0.369 0.000 2.683 191 I HA -0.065 4.104 4.170 -0.002 0.000 0.286 191 I C 0.685 176.908 176.117 0.176 0.000 1.175 191 I CA 0.378 61.803 61.300 0.209 0.000 1.429 191 I CB 0.310 38.455 38.000 0.241 0.000 1.371 191 I HN 0.686 nan 8.210 nan 0.000 0.569 192 D N 9.655 130.145 120.400 0.150 0.000 2.520 192 D HA -0.027 4.612 4.640 -0.002 0.000 0.243 192 D C -1.405 174.917 176.300 0.036 0.000 1.160 192 D CA -0.962 53.067 54.000 0.048 0.000 0.877 192 D CB 1.398 42.155 40.800 -0.073 0.000 1.150 192 D HN 0.297 nan 8.370 nan 0.000 0.494 193 P HA -0.123 nan 4.420 nan 0.000 0.223 193 P C 1.050 178.345 177.300 -0.009 0.000 1.144 193 P CA 0.746 63.865 63.100 0.031 0.000 0.783 193 P CB 0.306 32.019 31.700 0.022 0.000 0.771 194 R N -1.574 118.855 120.500 -0.118 0.000 2.189 194 R HA -0.082 4.257 4.340 -0.002 0.000 0.223 194 R C 1.880 178.097 176.300 -0.139 0.000 1.092 194 R CA 1.216 57.209 56.100 -0.177 0.000 0.989 194 R CB -0.740 29.375 30.300 -0.309 0.000 0.876 194 R HN 0.285 nan 8.270 nan 0.000 0.457 195 Y N -1.892 118.443 120.300 0.059 0.000 2.479 195 Y HA 0.402 4.950 4.550 -0.003 0.000 0.283 195 Y C 1.329 177.278 175.900 0.081 0.000 1.109 195 Y CA 0.473 58.613 58.100 0.067 0.000 1.239 195 Y CB 0.413 38.908 38.460 0.059 0.000 1.108 195 Y HN 0.122 nan 8.280 nan 0.000 0.548 196 G N -0.720 108.216 108.800 0.226 0.000 2.339 196 G HA2 0.243 4.201 3.960 -0.002 0.000 0.275 196 G HA3 0.243 4.201 3.960 -0.002 0.000 0.275 196 G C -0.902 174.116 174.900 0.195 0.000 1.323 196 G CA -0.491 44.721 45.100 0.186 0.000 0.927 196 G HN 0.254 nan 8.290 nan 0.000 0.486 197 S N -0.642 115.180 115.700 0.204 0.000 2.738 197 S HA 0.528 4.997 4.470 -0.002 0.000 0.284 197 S C 1.080 175.879 174.600 0.332 0.000 1.146 197 S CA 0.096 58.435 58.200 0.232 0.000 0.997 197 S CB 1.529 64.846 63.200 0.194 0.000 1.081 197 S HN 0.563 nan 8.310 nan 0.000 0.553 198 N N 0.963 119.903 118.700 0.400 0.000 2.120 198 N HA -0.065 4.674 4.740 -0.002 0.000 0.188 198 N C 1.523 177.365 175.510 0.553 0.000 1.024 198 N CA 1.375 54.784 53.050 0.599 0.000 0.852 198 N CB -0.641 38.242 38.487 0.661 0.000 1.003 198 N HN 0.786 nan 8.380 nan 0.000 0.424 199 E N 0.641 121.075 120.200 0.390 0.000 2.153 199 E HA -0.117 4.232 4.350 -0.002 0.000 0.194 199 E C 0.975 177.686 176.600 0.185 0.000 0.988 199 E CA 0.963 57.513 56.400 0.251 0.000 0.811 199 E CB -0.040 29.772 29.700 0.188 0.000 0.746 199 E HN 0.264 nan 8.360 nan 0.000 0.466 200 D N -0.698 119.833 120.400 0.219 0.000 2.144 200 D HA -0.154 4.485 4.640 -0.002 0.000 0.200 200 D C 1.551 177.977 176.300 0.209 0.000 0.978 200 D CA 0.645 54.754 54.000 0.182 0.000 0.833 200 D CB -0.208 40.705 40.800 0.188 0.000 0.961 200 D HN 0.213 nan 8.370 nan 0.000 0.470 201 F N 1.342 121.375 119.950 0.139 0.000 2.186 201 F HA -0.148 4.377 4.527 -0.003 0.000 0.299 201 F C 2.160 177.991 175.800 0.052 0.000 1.090 201 F CA 0.709 58.781 58.000 0.120 0.000 1.307 201 F CB -0.238 38.901 39.000 0.232 0.000 1.019 201 F HN -0.241 nan 8.300 nan 0.000 0.489 202 V N 0.679 120.596 119.914 0.005 0.000 2.343 202 V HA -0.298 3.821 4.120 -0.002 0.000 0.247 202 V C 2.531 178.522 176.094 -0.172 0.000 1.051 202 V CA 2.258 64.437 62.300 -0.202 0.000 1.036 202 V CB -0.795 30.867 31.823 -0.268 0.000 0.654 202 V HN 0.284 nan 8.190 nan 0.000 0.451 203 R N -0.126 120.326 120.500 -0.081 0.000 2.115 203 R HA -0.147 4.192 4.340 -0.002 0.000 0.230 203 R C 2.169 178.414 176.300 -0.091 0.000 1.111 203 R CA 1.392 57.453 56.100 -0.065 0.000 0.976 203 R CB -0.400 29.891 30.300 -0.015 0.000 0.870 203 R HN 0.438 nan 8.270 nan 0.000 0.445 204 L N 0.213 121.366 121.223 -0.116 0.000 2.012 204 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 204 L C 2.221 178.971 176.870 -0.200 0.000 1.073 204 L CA 2.303 57.057 54.840 -0.144 0.000 0.748 204 L CB -1.013 40.949 42.059 -0.162 0.000 0.891 204 L HN 0.222 nan 8.230 nan 0.000 0.431 205 S N -1.555 113.962 115.700 -0.304 0.000 2.368 205 S HA -0.184 4.285 4.470 -0.002 0.000 0.224 205 S C 2.008 176.509 174.600 -0.164 0.000 1.029 205 S CA 1.845 59.884 58.200 -0.268 0.000 0.988 205 S CB -0.571 62.428 63.200 -0.335 0.000 0.838 205 S HN 0.805 nan 8.310 nan 0.000 0.462 206 T N -0.687 113.781 114.554 -0.143 0.000 2.896 206 T HA 0.104 4.453 4.350 -0.002 0.000 0.263 206 T C 1.658 176.312 174.700 -0.075 0.000 1.050 206 T CA 0.823 62.863 62.100 -0.100 0.000 1.140 206 T CB -0.412 68.403 68.868 -0.089 0.000 0.877 206 T HN 0.258 nan 8.240 nan 0.000 0.457 207 E N 1.601 121.757 120.200 -0.073 0.000 2.150 207 E HA 0.072 4.421 4.350 -0.002 0.000 0.193 207 E C 2.548 179.119 176.600 -0.048 0.000 0.985 207 E CA 1.130 57.497 56.400 -0.054 0.000 0.814 207 E CB -0.455 29.216 29.700 -0.048 0.000 0.752 207 E HN 0.695 nan 8.360 nan 0.000 0.466 208 A N 1.261 124.045 122.820 -0.059 0.000 1.930 208 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 208 A C 2.187 179.746 177.584 -0.043 0.000 1.175 208 A CA 1.271 53.279 52.037 -0.047 0.000 0.627 208 A CB -0.403 18.561 19.000 -0.060 0.000 0.815 208 A HN 0.077 nan 8.150 nan 0.000 0.443 209 R N -0.015 120.452 120.500 -0.055 0.000 2.096 209 R HA -0.137 4.201 4.340 -0.002 0.000 0.235 209 R C 2.017 178.295 176.300 -0.037 0.000 1.127 209 R CA 1.773 57.844 56.100 -0.048 0.000 0.968 209 R CB -0.194 30.071 30.300 -0.059 0.000 0.861 209 R HN 0.528 nan 8.270 nan 0.000 0.440 210 K N -0.420 119.958 120.400 -0.037 0.000 2.057 210 K HA -0.132 4.187 4.320 -0.002 0.000 0.207 210 K C 1.954 178.540 176.600 -0.023 0.000 1.049 210 K CA 1.287 57.557 56.287 -0.029 0.000 0.931 210 K CB -0.026 32.456 32.500 -0.030 0.000 0.714 210 K HN -0.038 nan 8.250 nan 0.000 0.440 211 R N -0.236 120.251 120.500 -0.022 0.000 2.323 211 R HA 0.025 4.364 4.340 -0.002 0.000 0.198 211 R C 0.498 176.790 176.300 -0.014 0.000 0.988 211 R CA 0.694 56.785 56.100 -0.015 0.000 1.041 211 R CB -0.050 30.244 30.300 -0.011 0.000 0.926 211 R HN 0.426 nan 8.270 nan 0.000 0.476 212 G N 0.411 109.200 108.800 -0.018 0.000 2.248 212 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.263 212 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.263 212 G C -0.178 174.716 174.900 -0.010 0.000 1.082 212 G CA 0.125 45.215 45.100 -0.016 0.000 0.863 212 G HN 0.219 nan 8.290 nan 0.000 0.495 213 M N -0.232 119.361 119.600 -0.011 0.000 2.457 213 M HA 0.591 5.070 4.480 -0.002 0.000 0.300 213 M C 0.697 176.989 176.300 -0.013 0.000 1.141 213 M CA -0.252 55.047 55.300 -0.001 0.000 0.901 213 M CB 2.296 34.898 32.600 0.004 0.000 1.687 213 M HN 0.311 nan 8.290 nan 0.000 0.449 214 G N 1.349 110.149 108.800 0.001 0.000 2.502 214 G HA2 0.669 4.627 3.960 -0.002 0.000 0.305 214 G HA3 0.669 4.627 3.960 -0.002 0.000 0.305 214 G C -1.842 173.046 174.900 -0.021 0.000 1.190 214 G CA -0.459 44.637 45.100 -0.006 0.000 0.933 214 G HN 0.540 nan 8.290 nan 0.000 0.503 215 L N 0.413 121.613 121.223 -0.039 0.000 2.333 215 L HA 0.616 4.954 4.340 -0.002 0.000 0.280 215 L C -0.638 176.230 176.870 -0.004 0.000 1.004 215 L CA -0.652 54.158 54.840 -0.050 0.000 0.820 215 L CB 1.453 43.425 42.059 -0.145 0.000 1.247 215 L HN 0.381 nan 8.230 nan 0.000 0.416 216 I N 4.531 125.110 120.570 0.015 0.000 2.355 216 I HA 0.352 4.521 4.170 -0.002 0.000 0.288 216 I C -0.218 175.953 176.117 0.091 0.000 0.999 216 I CA -0.466 60.838 61.300 0.008 0.000 1.163 216 I CB 1.572 39.469 38.000 -0.170 0.000 1.316 216 I HN 0.607 nan 8.210 nan 0.000 0.454 217 Q N 5.122 124.977 119.800 0.092 0.000 2.267 217 Q HA 0.118 4.457 4.340 -0.002 0.000 0.255 217 Q C -0.669 175.347 176.000 0.027 0.000 0.923 217 Q CA -0.598 55.264 55.803 0.098 0.000 0.925 217 Q CB 1.230 30.017 28.738 0.083 0.000 1.195 217 Q HN 0.452 nan 8.270 nan 0.000 0.417 218 D N 3.371 123.810 120.400 0.065 0.000 2.339 218 D HA 0.207 4.846 4.640 -0.002 0.000 0.256 218 D C -0.988 175.292 176.300 -0.035 0.000 1.214 218 D CA -0.087 53.944 54.000 0.053 0.000 0.877 218 D CB 0.807 41.743 40.800 0.226 0.000 1.111 218 D HN 0.356 nan 8.370 nan 0.000 0.478 219 V N 1.513 121.433 119.914 0.011 0.000 2.680 219 V HA 0.679 4.798 4.120 -0.002 0.000 0.309 219 V C -0.272 175.846 176.094 0.040 0.000 1.052 219 V CA -0.899 61.411 62.300 0.017 0.000 0.908 219 V CB 1.857 33.735 31.823 0.091 0.000 1.001 219 V HN 0.184 nan 8.190 nan 0.000 0.431 220 V N 5.387 125.304 119.914 0.005 0.000 2.384 220 V HA 0.429 4.548 4.120 -0.002 0.000 0.287 220 V C 0.576 176.644 176.094 -0.043 0.000 1.020 220 V CA -0.250 62.011 62.300 -0.065 0.000 0.850 220 V CB 1.288 32.985 31.823 -0.210 0.000 0.987 220 V HN 0.917 nan 8.190 nan 0.000 0.436 221 L N 2.759 123.934 121.223 -0.081 0.000 2.500 221 L HA 0.049 4.388 4.340 -0.002 0.000 0.219 221 L C 2.358 179.144 176.870 -0.141 0.000 1.057 221 L CA 0.876 55.673 54.840 -0.073 0.000 0.854 221 L CB 0.062 42.073 42.059 -0.081 0.000 1.078 221 L HN 0.796 nan 8.230 nan 0.000 0.480 222 S N -0.704 114.917 115.700 -0.132 0.000 2.406 222 S HA -0.048 4.420 4.470 -0.002 0.000 0.228 222 S C 0.721 175.314 174.600 -0.013 0.000 1.020 222 S CA 0.251 58.420 58.200 -0.052 0.000 0.965 222 S CB -0.394 62.889 63.200 0.139 0.000 0.798 222 S HN 0.560 nan 8.310 nan 0.000 0.488 223 H N -0.220 118.814 119.070 -0.061 0.000 2.966 223 H HA 0.750 5.305 4.556 -0.002 0.000 0.330 223 H C -0.571 174.752 175.328 -0.008 0.000 1.292 223 H CA -1.070 54.928 56.048 -0.084 0.000 1.127 223 H CB 1.090 30.793 29.762 -0.099 0.000 1.863 223 H HN 0.369 nan 8.280 nan 0.000 0.543 224 I N -1.719 118.906 120.570 0.092 0.000 3.516 224 I HA 0.800 4.969 4.170 -0.002 0.000 0.302 224 I C 0.058 176.243 176.117 0.115 0.000 1.143 224 I CA -1.511 59.844 61.300 0.091 0.000 1.003 224 I CB 1.889 39.944 38.000 0.093 0.000 1.347 224 I HN 0.643 nan 8.210 nan 0.000 0.486 225 G N 0.273 109.143 108.800 0.118 0.000 2.412 225 G HA2 0.366 4.325 3.960 -0.002 0.000 0.318 225 G HA3 0.366 4.325 3.960 -0.002 0.000 0.318 225 G C 0.284 175.238 174.900 0.091 0.000 1.146 225 G CA -0.640 44.531 45.100 0.118 0.000 0.882 225 G HN 0.892 nan 8.290 nan 0.000 0.501 226 K N -0.458 119.969 120.400 0.045 0.000 2.360 226 K HA -0.053 4.266 4.320 -0.002 0.000 0.201 226 K C 0.643 177.150 176.600 -0.156 0.000 1.046 226 K CA 1.065 57.321 56.287 -0.051 0.000 0.945 226 K CB 0.045 32.490 32.500 -0.092 0.000 0.750 226 K HN 0.489 nan 8.250 nan 0.000 0.464 227 H N 0.110 119.243 119.070 0.106 0.000 2.505 227 H HA 0.083 4.638 4.556 -0.001 0.000 0.289 227 H C -0.247 175.138 175.328 0.094 0.000 1.052 227 H CA -0.329 55.777 56.048 0.096 0.000 1.156 227 H CB -0.118 29.685 29.762 0.069 0.000 1.507 227 H HN 0.253 nan 8.280 nan 0.000 0.548 228 H N 1.681 120.784 119.070 0.054 0.000 2.928 228 H HA -0.119 4.436 4.556 -0.001 0.000 0.338 228 H C 1.209 176.505 175.328 -0.055 0.000 1.047 228 H CA 0.088 56.090 56.048 -0.076 0.000 1.435 228 H CB 0.509 30.145 29.762 -0.211 0.000 1.428 228 H HN 0.520 nan 8.280 nan 0.000 0.590 229 W N 4.663 125.975 121.300 0.021 0.000 2.538 229 W HA -0.113 4.546 4.660 -0.001 0.000 0.254 229 W C 0.729 177.371 176.519 0.206 0.000 1.249 229 W CA -0.375 57.014 57.345 0.074 0.000 1.253 229 W CB -0.955 28.479 29.460 -0.043 0.000 1.130 229 W HN 0.540 nan 8.180 nan 0.000 0.618 230 W N 1.055 122.108 121.300 -0.412 0.000 2.388 230 W HA -0.135 4.524 4.660 -0.001 0.000 0.294 230 W C 2.350 178.717 176.519 -0.253 0.000 1.212 230 W CA 0.733 57.718 57.345 -0.600 0.000 1.271 230 W CB -1.097 27.846 29.460 -0.861 0.000 1.126 230 W HN -0.126 nan 8.180 nan 0.000 0.535 231 M N 0.605 120.280 119.600 0.125 0.000 2.374 231 M HA -0.120 4.359 4.480 -0.002 0.000 0.264 231 M C 1.679 178.044 176.300 0.107 0.000 1.067 231 M CA 1.428 56.787 55.300 0.098 0.000 1.103 231 M CB -1.450 31.206 32.600 0.092 0.000 1.402 231 M HN 0.151 nan 8.290 nan 0.000 0.444 232 K N -0.800 119.691 120.400 0.151 0.000 2.393 232 K HA 0.077 4.396 4.320 -0.002 0.000 0.193 232 K C -0.215 176.484 176.600 0.164 0.000 1.026 232 K CA 0.629 57.010 56.287 0.157 0.000 1.064 232 K CB 0.431 33.044 32.500 0.188 0.000 0.833 232 K HN -0.037 nan 8.250 nan 0.000 0.521 233 D N 0.909 121.410 120.400 0.168 0.000 2.934 233 D HA 0.177 4.816 4.640 -0.002 0.000 0.249 233 D C -1.270 175.090 176.300 0.100 0.000 1.293 233 D CA -0.335 53.783 54.000 0.198 0.000 0.812 233 D CB 0.250 41.250 40.800 0.335 0.000 1.439 233 D HN 0.091 nan 8.370 nan 0.000 0.555 234 L N 2.295 123.488 121.223 -0.050 0.000 2.534 234 L HA 0.195 4.534 4.340 -0.002 0.000 0.271 234 L C -1.088 175.502 176.870 -0.467 0.000 1.178 234 L CA -0.984 53.676 54.840 -0.300 0.000 0.907 234 L CB 0.640 42.599 42.059 -0.166 0.000 1.164 234 L HN 0.169 nan 8.230 nan 0.000 0.482 235 P HA -0.102 nan 4.420 nan 0.000 0.215 235 P C 0.207 177.172 177.300 -0.558 0.000 1.157 235 P CA 1.121 63.412 63.100 -1.348 0.000 0.868 235 P CB 0.126 30.415 31.700 -2.351 0.000 0.788 236 T N -7.186 107.142 114.554 -0.378 0.000 2.906 236 T HA 0.455 4.804 4.350 -0.002 0.000 0.295 236 T C -2.491 172.188 174.700 -0.034 0.000 1.061 236 T CA -2.247 59.806 62.100 -0.079 0.000 1.000 236 T CB 1.798 70.708 68.868 0.070 0.000 1.103 236 T HN -0.266 nan 8.240 nan 0.000 0.486 237 P HA 0.003 nan 4.420 nan 0.000 0.220 237 P C 0.644 177.950 177.300 0.011 0.000 1.148 237 P CA 0.945 64.046 63.100 0.001 0.000 0.803 237 P CB -0.005 31.695 31.700 0.000 0.000 0.782 238 D N -2.631 117.769 120.400 -0.000 0.000 2.525 238 D HA -0.058 4.581 4.640 -0.002 0.000 0.229 238 D C 1.223 177.484 176.300 -0.065 0.000 1.202 238 D CA -0.533 53.443 54.000 -0.040 0.000 0.828 238 D CB -1.147 39.608 40.800 -0.075 0.000 1.008 238 D HN 0.245 nan 8.370 nan 0.000 0.493 239 W N 1.864 123.018 121.300 -0.244 0.000 2.409 239 W HA 0.019 4.677 4.660 -0.002 0.000 0.299 239 W C 0.368 176.705 176.519 -0.303 0.000 1.203 239 W CA 0.598 57.732 57.345 -0.351 0.000 1.298 239 W CB 0.371 29.539 29.460 -0.486 0.000 1.127 239 W HN -0.020 nan 8.180 nan 0.000 0.528 240 I N 0.036 120.604 120.570 -0.003 0.000 2.750 240 I HA 0.400 4.569 4.170 -0.002 0.000 0.308 240 I C -0.363 175.762 176.117 0.013 0.000 1.016 240 I CA -0.817 60.463 61.300 -0.033 0.000 1.098 240 I CB 0.588 38.618 38.000 0.050 0.000 1.279 240 I HN -0.174 nan 8.210 nan 0.000 0.454 241 N N 3.550 122.275 118.700 0.041 0.000 2.529 241 N HA 0.205 4.944 4.740 -0.002 0.000 0.278 241 N C -0.897 174.770 175.510 0.263 0.000 1.146 241 N CA 0.126 53.161 53.050 -0.025 0.000 0.980 241 N CB 0.258 38.636 38.487 -0.181 0.000 1.124 241 N HN 0.672 nan 8.380 nan 0.000 0.458 242 Y N -0.649 119.744 120.300 0.156 0.000 3.477 242 Y HA -0.248 4.301 4.550 -0.002 0.000 0.216 242 Y C 1.618 177.545 175.900 0.045 0.000 1.296 242 Y CA 0.697 58.828 58.100 0.052 0.000 1.535 242 Y CB -2.174 36.248 38.460 -0.063 0.000 1.482 242 Y HN 0.852 nan 8.280 nan 0.000 0.597 243 G N 0.425 109.332 108.800 0.179 0.000 2.674 243 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.375 243 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.375 243 G C 1.464 176.453 174.900 0.150 0.000 1.175 243 G CA 1.490 46.676 45.100 0.143 0.000 0.925 243 G HN 1.351 nan 8.290 nan 0.000 0.606 244 G N -0.293 108.551 108.800 0.073 0.000 2.709 244 G HA2 0.305 4.264 3.960 -0.002 0.000 0.208 244 G HA3 0.305 4.264 3.960 -0.002 0.000 0.208 244 G C 0.812 175.688 174.900 -0.040 0.000 1.129 244 G CA 0.977 46.101 45.100 0.041 0.000 0.793 244 G HN 0.729 nan 8.290 nan 0.000 0.524 245 K N 0.578 120.945 120.400 -0.055 0.000 2.368 245 K HA 0.197 4.516 4.320 -0.002 0.000 0.282 245 K C -0.978 175.493 176.600 -0.214 0.000 1.035 245 K CA -0.846 55.384 56.287 -0.095 0.000 0.973 245 K CB 0.271 32.725 32.500 -0.078 0.000 0.957 245 K HN -0.054 nan 8.250 nan 0.000 0.474 246 F N 6.125 125.846 119.950 -0.383 0.000 2.462 246 F HA 0.160 4.686 4.527 -0.002 0.000 0.360 246 F C -0.837 174.670 175.800 -0.488 0.000 1.134 246 F CA -0.424 57.250 58.000 -0.544 0.000 1.148 246 F CB 0.345 39.131 39.000 -0.357 0.000 1.147 246 F HN 0.124 nan 8.300 nan 0.000 0.550 247 V N 9.273 128.570 119.914 -1.027 0.000 2.257 247 V HA 0.291 4.410 4.120 -0.002 0.000 0.269 247 V C -2.054 173.436 176.094 -1.006 0.000 1.040 247 V CA -1.633 60.056 62.300 -1.019 0.000 0.813 247 V CB 0.554 31.637 31.823 -1.233 0.000 1.065 247 V HN 0.584 nan 8.190 nan 0.000 0.457 248 P HA 0.154 nan 4.420 nan 0.000 0.275 248 P C 0.081 177.135 177.300 -0.410 0.000 1.228 248 P CA 0.095 62.756 63.100 -0.733 0.000 0.786 248 P CB 1.107 32.407 31.700 -0.666 0.000 0.927 249 T N 1.700 116.055 114.554 -0.332 0.000 2.899 249 T HA 0.089 4.437 4.350 -0.002 0.000 0.295 249 T C 0.906 175.333 174.700 -0.454 0.000 1.033 249 T CA -0.219 61.656 62.100 -0.375 0.000 1.084 249 T CB -0.011 68.577 68.868 -0.466 0.000 0.979 249 T HN 0.249 nan 8.240 nan 0.000 0.532 250 Q N 1.995 121.579 119.800 -0.361 0.000 2.198 250 Q HA 0.117 4.456 4.340 -0.002 0.000 0.209 250 Q C -0.096 175.623 176.000 -0.468 0.000 0.848 250 Q CA -0.071 55.525 55.803 -0.345 0.000 0.974 250 Q CB -0.068 28.516 28.738 -0.256 0.000 1.115 250 Q HN 0.913 nan 8.270 nan 0.000 0.494 251 H N -0.327 118.601 119.070 -0.237 0.000 2.756 251 H HA -0.156 4.399 4.556 -0.002 0.000 0.315 251 H C -0.769 174.410 175.328 -0.247 0.000 1.210 251 H CA 0.582 56.589 56.048 -0.068 0.000 1.150 251 H CB -2.389 27.343 29.762 -0.051 0.000 1.463 251 H HN 0.513 nan 8.280 nan 0.000 0.427 252 H N 1.133 120.194 119.070 -0.014 0.000 2.652 252 H HA 0.095 4.650 4.556 -0.002 0.000 0.233 252 H C 1.769 176.738 175.328 -0.598 0.000 1.762 252 H CA -0.072 55.860 56.048 -0.193 0.000 1.285 252 H CB 0.424 30.127 29.762 -0.098 0.000 1.668 252 H HN 0.489 nan 8.280 nan 0.000 0.550 253 R N 0.387 120.447 120.500 -0.733 0.000 2.152 253 R HA -0.115 4.224 4.340 -0.002 0.000 0.232 253 R C 1.349 177.269 176.300 -0.632 0.000 1.117 253 R CA 1.625 56.932 56.100 -1.321 0.000 0.981 253 R CB -0.534 29.381 30.300 -0.641 0.000 0.870 253 R HN 0.421 nan 8.270 nan 0.000 0.451 254 V N -1.766 117.969 119.914 -0.298 0.000 3.141 254 V HA 0.182 4.301 4.120 -0.002 0.000 0.265 254 V C 2.370 178.390 176.094 -0.122 0.000 1.126 254 V CA 1.001 63.213 62.300 -0.146 0.000 1.141 254 V CB -0.330 31.446 31.823 -0.077 0.000 0.743 254 V HN 0.339 nan 8.190 nan 0.000 0.492 255 A N 1.484 124.212 122.820 -0.154 0.000 2.070 255 A HA -0.057 4.262 4.320 -0.002 0.000 0.220 255 A C 2.187 179.752 177.584 -0.031 0.000 1.159 255 A CA 2.008 54.004 52.037 -0.068 0.000 0.656 255 A CB -0.724 18.256 19.000 -0.033 0.000 0.800 255 A HN 1.210 nan 8.150 nan 0.000 0.453 256 V N -2.398 117.489 119.914 -0.046 0.000 3.623 256 V HA 0.067 4.186 4.120 -0.002 0.000 0.271 256 V C 0.740 176.748 176.094 -0.142 0.000 1.248 256 V CA 0.975 63.251 62.300 -0.040 0.000 1.156 256 V CB -1.119 30.744 31.823 0.066 0.000 0.870 256 V HN 0.776 nan 8.190 nan 0.000 0.453 257 Q N -0.074 119.683 119.800 -0.070 0.000 2.458 257 Q HA 0.440 4.779 4.340 -0.002 0.000 0.332 257 Q C -1.023 175.097 176.000 0.199 0.000 0.825 257 Q CA -0.267 55.564 55.803 0.048 0.000 1.076 257 Q CB 0.543 29.233 28.738 -0.080 0.000 1.394 257 Q HN 0.434 nan 8.270 nan 0.000 0.393 258 D N 1.455 121.945 120.400 0.150 0.000 2.788 258 D HA 0.263 4.902 4.640 -0.002 0.000 0.247 258 D C -1.807 174.469 176.300 -0.040 0.000 1.236 258 D CA -2.054 51.937 54.000 -0.015 0.000 0.898 258 D CB 2.203 42.982 40.800 -0.034 0.000 1.401 258 D HN -0.037 nan 8.370 nan 0.000 0.549 259 P HA -0.111 nan 4.420 nan 0.000 0.220 259 P C 0.464 177.575 177.300 -0.315 0.000 1.148 259 P CA 0.922 63.815 63.100 -0.344 0.000 0.803 259 P CB 0.143 31.410 31.700 -0.721 0.000 0.782 260 Y N -0.232 120.049 120.300 -0.030 0.000 2.493 260 Y HA 0.471 5.020 4.550 -0.002 0.000 0.275 260 Y C 1.420 177.302 175.900 -0.031 0.000 1.183 260 Y CA -1.231 56.849 58.100 -0.033 0.000 1.258 260 Y CB -1.042 37.387 38.460 -0.051 0.000 1.108 260 Y HN -0.109 nan 8.280 nan 0.000 0.521 261 A N 1.186 124.044 122.820 0.062 0.000 2.477 261 A HA 0.589 4.908 4.320 -0.002 0.000 0.246 261 A C 0.608 178.209 177.584 0.029 0.000 1.078 261 A CA -0.023 52.032 52.037 0.030 0.000 0.770 261 A CB -0.118 18.889 19.000 0.012 0.000 1.011 261 A HN 0.369 nan 8.150 nan 0.000 0.494 262 A N 1.795 124.622 122.820 0.011 0.000 2.340 262 A HA 0.420 4.739 4.320 -0.002 0.000 0.268 262 A C 1.089 178.683 177.584 0.017 0.000 1.100 262 A CA -0.463 51.580 52.037 0.010 0.000 0.803 262 A CB 0.323 19.318 19.000 -0.007 0.000 1.043 262 A HN 0.882 nan 8.150 nan 0.000 0.488 263 Q N 1.148 120.960 119.800 0.021 0.000 2.181 263 Q HA -0.211 4.128 4.340 -0.002 0.000 0.205 263 Q C 2.366 178.390 176.000 0.040 0.000 0.980 263 Q CA 1.891 57.712 55.803 0.030 0.000 0.862 263 Q CB -0.542 28.211 28.738 0.026 0.000 0.905 263 Q HN 0.919 nan 8.270 nan 0.000 0.429 264 A N 1.215 124.053 122.820 0.030 0.000 1.908 264 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 264 A C 1.769 179.386 177.584 0.055 0.000 1.181 264 A CA 1.871 53.929 52.037 0.035 0.000 0.627 264 A CB -0.374 18.633 19.000 0.012 0.000 0.818 264 A HN 0.238 nan 8.150 nan 0.000 0.445 265 D N -0.963 119.463 120.400 0.043 0.000 2.123 265 D HA -0.071 4.568 4.640 -0.002 0.000 0.200 265 D C 2.308 178.682 176.300 0.124 0.000 0.976 265 D CA 1.455 55.501 54.000 0.077 0.000 0.831 265 D CB -0.341 40.453 40.800 -0.009 0.000 0.974 265 D HN 0.373 nan 8.370 nan 0.000 0.469 266 S N 0.129 115.885 115.700 0.094 0.000 2.356 266 S HA -0.179 4.290 4.470 -0.002 0.000 0.223 266 S C 1.804 176.495 174.600 0.152 0.000 1.032 266 S CA 1.321 59.594 58.200 0.122 0.000 1.005 266 S CB -0.048 63.197 63.200 0.076 0.000 0.867 266 S HN 0.179 nan 8.310 nan 0.000 0.449 267 E N 0.956 121.226 120.200 0.116 0.000 2.072 267 E HA -0.110 4.239 4.350 -0.002 0.000 0.191 267 E C 2.176 178.872 176.600 0.160 0.000 0.985 267 E CA 0.934 57.404 56.400 0.117 0.000 0.801 267 E CB -0.222 29.542 29.700 0.106 0.000 0.750 267 E HN 0.584 nan 8.360 nan 0.000 0.452 268 N N 0.057 118.851 118.700 0.157 0.000 2.149 268 N HA -0.196 4.543 4.740 -0.002 0.000 0.188 268 N C 1.771 177.356 175.510 0.126 0.000 1.019 268 N CA 0.885 54.013 53.050 0.130 0.000 0.857 268 N CB -0.062 38.478 38.487 0.090 0.000 0.997 268 N HN 0.097 nan 8.380 nan 0.000 0.426 269 F N 1.840 121.786 119.950 -0.008 0.000 2.128 269 F HA -0.062 4.464 4.527 -0.002 0.000 0.295 269 F C 2.715 178.495 175.800 -0.033 0.000 1.100 269 F CA 1.934 59.888 58.000 -0.078 0.000 1.260 269 F CB -0.848 38.095 39.000 -0.094 0.000 1.009 269 F HN 0.069 nan 8.300 nan 0.000 0.476 270 T N -2.907 111.607 114.554 -0.068 0.000 3.043 270 T HA 0.020 4.368 4.350 -0.002 0.000 0.263 270 T C 1.670 176.325 174.700 -0.076 0.000 1.094 270 T CA 0.899 62.915 62.100 -0.140 0.000 1.127 270 T CB -0.196 68.663 68.868 -0.015 0.000 0.905 270 T HN 0.269 nan 8.240 nan 0.000 0.490 271 K N 0.561 120.972 120.400 0.018 0.000 2.380 271 K HA 0.327 4.645 4.320 -0.002 0.000 0.198 271 K C 1.182 177.981 176.600 0.333 0.000 1.070 271 K CA -0.142 56.183 56.287 0.063 0.000 1.040 271 K CB 0.751 33.202 32.500 -0.081 0.000 0.903 271 K HN 0.378 nan 8.250 nan 0.000 0.549 272 G N 0.962 109.923 108.800 0.268 0.000 2.442 272 G HA2 0.092 4.051 3.960 -0.002 0.000 0.249 272 G HA3 0.092 4.051 3.960 -0.002 0.000 0.249 272 G C -0.887 174.150 174.900 0.229 0.000 1.263 272 G CA -0.450 44.787 45.100 0.229 0.000 0.846 272 G HN 0.037 nan 8.290 nan 0.000 0.555 273 W N 1.594 122.853 121.300 -0.067 0.000 2.202 273 W HA 0.463 5.122 4.660 -0.002 0.000 0.332 273 W C 0.920 177.396 176.519 -0.071 0.000 1.263 273 W CA -0.954 56.407 57.345 0.027 0.000 1.223 273 W CB 0.166 29.768 29.460 0.236 0.000 1.128 273 W HN 0.512 nan 8.180 nan 0.000 0.573 274 F N 1.162 121.150 119.950 0.065 0.000 2.039 274 F HA -0.060 4.466 4.527 -0.001 0.000 0.294 274 F C 1.213 177.111 175.800 0.163 0.000 1.130 274 F CA 2.004 59.988 58.000 -0.026 0.000 1.189 274 F CB -0.682 38.156 39.000 -0.270 0.000 0.983 274 F HN 0.011 nan 8.300 nan 0.000 0.471 275 V N -2.913 117.254 119.914 0.423 0.000 3.130 275 V HA 0.283 4.402 4.120 -0.002 0.000 0.310 275 V C 0.501 176.796 176.094 0.335 0.000 1.158 275 V CA -0.877 61.641 62.300 0.364 0.000 1.029 275 V CB 1.524 33.447 31.823 0.167 0.000 1.057 275 V HN 0.378 nan 8.190 nan 0.000 0.436 276 E N 1.313 121.400 120.200 -0.189 0.000 2.273 276 E HA -0.128 4.221 4.350 -0.002 0.000 0.198 276 E C 1.520 178.186 176.600 0.109 0.000 1.002 276 E CA 1.734 57.865 56.400 -0.447 0.000 0.828 276 E CB -0.337 28.886 29.700 -0.795 0.000 0.747 276 E HN 1.033 nan 8.360 nan 0.000 0.491 277 G N 0.171 109.041 108.800 0.117 0.000 3.042 277 G HA2 0.138 4.097 3.960 -0.002 0.000 0.212 277 G HA3 0.138 4.097 3.960 -0.002 0.000 0.212 277 G C 0.514 175.485 174.900 0.119 0.000 1.166 277 G CA -0.398 44.778 45.100 0.127 0.000 0.767 277 G HN 0.084 nan 8.290 nan 0.000 0.546 278 M N 1.746 121.415 119.600 0.116 0.000 2.158 278 M HA 0.278 4.757 4.480 -0.002 0.000 0.326 278 M C -2.780 173.323 176.300 -0.328 0.000 1.014 278 M CA -1.793 53.501 55.300 -0.010 0.000 0.961 278 M CB 2.337 34.906 32.600 -0.052 0.000 1.327 278 M HN -0.211 nan 8.290 nan 0.000 0.393 279 P HA 0.006 nan 4.420 nan 0.000 0.264 279 P C -0.911 175.838 177.300 -0.919 0.000 1.193 279 P CA 0.128 62.384 63.100 -1.406 0.000 0.763 279 P CB 0.424 31.731 31.700 -0.656 0.000 0.810 280 D N 2.662 122.320 120.400 -1.236 0.000 2.295 280 D HA 0.188 4.827 4.640 -0.002 0.000 0.248 280 D C -0.182 175.933 176.300 -0.309 0.000 1.154 280 D CA -0.261 53.438 54.000 -0.502 0.000 0.857 280 D CB 0.219 40.832 40.800 -0.311 0.000 1.117 280 D HN 0.198 nan 8.370 nan 0.000 0.468 281 L N 3.462 124.539 121.223 -0.242 0.000 2.426 281 L HA 0.155 4.494 4.340 -0.002 0.000 0.271 281 L C 0.537 177.192 176.870 -0.359 0.000 1.169 281 L CA -0.333 54.320 54.840 -0.312 0.000 0.836 281 L CB 0.408 42.276 42.059 -0.318 0.000 1.112 281 L HN 0.480 nan 8.230 nan 0.000 0.465 282 N N 1.724 120.156 118.700 -0.446 0.000 2.558 282 N HA 0.127 4.866 4.740 -0.002 0.000 0.233 282 N C 0.215 175.421 175.510 -0.508 0.000 1.038 282 N CA -0.182 52.621 53.050 -0.412 0.000 0.934 282 N CB 0.985 39.262 38.487 -0.350 0.000 1.175 282 N HN 0.457 nan 8.380 nan 0.000 0.512 283 Q N 0.423 119.929 119.800 -0.489 0.000 2.444 283 Q HA -0.008 4.331 4.340 -0.002 0.000 0.206 283 Q C 1.516 177.334 176.000 -0.304 0.000 0.948 283 Q CA 0.890 56.350 55.803 -0.570 0.000 0.946 283 Q CB 0.282 28.441 28.738 -0.966 0.000 1.027 283 Q HN 0.774 nan 8.270 nan 0.000 0.513 284 T N -2.188 112.225 114.554 -0.236 0.000 2.995 284 T HA -0.056 4.293 4.350 -0.002 0.000 0.269 284 T C 0.971 175.566 174.700 -0.174 0.000 1.091 284 T CA 0.154 62.166 62.100 -0.146 0.000 1.128 284 T CB -0.118 68.680 68.868 -0.116 0.000 0.891 284 T HN 0.028 nan 8.240 nan 0.000 0.492 285 N N 3.373 121.913 118.700 -0.268 0.000 2.431 285 N HA 0.140 4.879 4.740 -0.002 0.000 0.265 285 N C -1.470 173.864 175.510 -0.293 0.000 1.184 285 N CA -2.272 50.599 53.050 -0.299 0.000 0.943 285 N CB 1.519 39.750 38.487 -0.427 0.000 1.080 285 N HN 0.105 nan 8.380 nan 0.000 0.477 286 P HA -0.133 nan 4.420 nan 0.000 0.220 286 P C 1.369 178.562 177.300 -0.179 0.000 1.148 286 P CA 1.041 64.055 63.100 -0.143 0.000 0.803 286 P CB 0.378 32.014 31.700 -0.105 0.000 0.782 287 L N -1.048 119.996 121.223 -0.299 0.000 2.056 287 L HA -0.104 4.235 4.340 -0.002 0.000 0.207 287 L C 2.696 179.394 176.870 -0.288 0.000 1.078 287 L CA 1.115 55.766 54.840 -0.316 0.000 0.749 287 L CB -1.213 40.544 42.059 -0.503 0.000 0.901 287 L HN -0.171 nan 8.230 nan 0.000 0.433 288 V N 0.191 119.696 119.914 -0.681 0.000 2.307 288 V HA -0.245 3.874 4.120 -0.002 0.000 0.245 288 V C 2.816 178.740 176.094 -0.284 0.000 1.045 288 V CA 1.716 63.552 62.300 -0.773 0.000 1.024 288 V CB -0.884 30.261 31.823 -1.131 0.000 0.651 288 V HN 0.451 nan 8.190 nan 0.000 0.449 289 A N 0.482 123.179 122.820 -0.206 0.000 1.873 289 A HA -0.321 3.998 4.320 -0.002 0.000 0.218 289 A C 2.064 179.806 177.584 0.264 0.000 1.193 289 A CA 2.540 54.649 52.037 0.121 0.000 0.629 289 A CB -1.021 18.106 19.000 0.212 0.000 0.826 289 A HN 0.685 nan 8.150 nan 0.000 0.447 290 N N -2.047 116.742 118.700 0.148 0.000 2.069 290 N HA -0.240 4.499 4.740 -0.002 0.000 0.191 290 N C 1.804 177.455 175.510 0.234 0.000 1.031 290 N CA 1.696 54.843 53.050 0.162 0.000 0.852 290 N CB -0.350 38.209 38.487 0.121 0.000 1.018 290 N HN 0.637 nan 8.380 nan 0.000 0.423 291 Y N 1.937 122.331 120.300 0.155 0.000 2.097 291 Y HA -0.203 4.346 4.550 -0.002 0.000 0.282 291 Y C 2.110 178.152 175.900 0.236 0.000 1.152 291 Y CA 1.463 59.702 58.100 0.232 0.000 1.136 291 Y CB -0.310 38.317 38.460 0.278 0.000 0.975 291 Y HN 0.020 nan 8.280 nan 0.000 0.498 292 L N -0.519 120.895 121.223 0.318 0.000 2.046 292 L HA -0.241 4.098 4.340 -0.002 0.000 0.208 292 L C 2.405 179.508 176.870 0.388 0.000 1.077 292 L CA 1.504 56.522 54.840 0.295 0.000 0.747 292 L CB -0.597 41.661 42.059 0.332 0.000 0.896 292 L HN 0.301 nan 8.230 nan 0.000 0.432 293 I N -0.520 120.305 120.570 0.425 0.000 2.179 293 I HA -0.332 3.837 4.170 -0.002 0.000 0.242 293 I C 2.687 178.973 176.117 0.283 0.000 1.088 293 I CA 1.449 62.947 61.300 0.329 0.000 1.357 293 I CB -0.296 37.812 38.000 0.180 0.000 1.051 293 I HN 0.324 nan 8.210 nan 0.000 0.409 294 Q N 0.222 120.176 119.800 0.257 0.000 2.084 294 Q HA -0.226 4.113 4.340 -0.002 0.000 0.202 294 Q C 2.124 178.404 176.000 0.466 0.000 0.978 294 Q CA 1.638 57.657 55.803 0.361 0.000 0.844 294 Q CB -0.394 28.425 28.738 0.134 0.000 0.898 294 Q HN 0.535 nan 8.270 nan 0.000 0.426 295 N N 0.750 119.573 118.700 0.205 0.000 2.069 295 N HA -0.194 4.545 4.740 -0.002 0.000 0.191 295 N C 1.240 176.995 175.510 0.409 0.000 1.031 295 N CA 1.526 54.626 53.050 0.084 0.000 0.852 295 N CB 0.032 38.325 38.487 -0.325 0.000 1.018 295 N HN 0.183 nan 8.380 nan 0.000 0.423 296 N N 0.824 119.789 118.700 0.442 0.000 2.188 296 N HA 0.006 4.745 4.740 -0.002 0.000 0.184 296 N C 1.885 177.668 175.510 0.455 0.000 1.018 296 N CA 0.650 54.003 53.050 0.505 0.000 0.858 296 N CB -0.210 38.574 38.487 0.496 0.000 0.989 296 N HN 0.322 nan 8.380 nan 0.000 0.426 297 I N -0.662 120.156 120.570 0.413 0.000 2.163 297 I HA -0.278 3.890 4.170 -0.002 0.000 0.243 297 I C 2.103 178.418 176.117 0.331 0.000 1.085 297 I CA 1.038 62.565 61.300 0.377 0.000 1.347 297 I CB -0.214 38.022 38.000 0.393 0.000 1.044 297 I HN 0.263 nan 8.210 nan 0.000 0.408 298 W N 1.061 122.545 121.300 0.306 0.000 2.302 298 W HA -0.294 4.365 4.660 -0.003 0.000 0.320 298 W C 2.253 178.918 176.519 0.243 0.000 1.241 298 W CA 1.806 59.334 57.345 0.304 0.000 1.264 298 W CB -0.735 28.955 29.460 0.383 0.000 1.154 298 W HN 0.115 nan 8.180 nan 0.000 0.483 299 W N 0.061 121.668 121.300 0.512 0.000 2.338 299 W HA -0.188 4.470 4.660 -0.003 0.000 0.304 299 W C 2.377 178.983 176.519 0.144 0.000 1.212 299 W CA 1.507 59.068 57.345 0.360 0.000 1.264 299 W CB -0.779 28.914 29.460 0.389 0.000 1.142 299 W HN -0.141 nan 8.180 nan 0.000 0.512 300 I N -0.225 120.507 120.570 0.269 0.000 2.113 300 I HA -0.303 3.866 4.170 -0.002 0.000 0.238 300 I C 2.391 178.390 176.117 -0.197 0.000 1.070 300 I CA 1.713 62.994 61.300 -0.031 0.000 1.332 300 I CB -0.641 37.210 38.000 -0.249 0.000 1.044 300 I HN -0.102 nan 8.210 nan 0.000 0.402 301 E N 0.434 120.442 120.200 -0.318 0.000 2.051 301 E HA -0.281 4.068 4.350 -0.002 0.000 0.192 301 E C 2.129 178.495 176.600 -0.390 0.000 0.991 301 E CA 1.505 57.542 56.400 -0.605 0.000 0.799 301 E CB -0.386 28.466 29.700 -1.413 0.000 0.748 301 E HN 0.452 nan 8.360 nan 0.000 0.449 302 Y N 0.056 120.141 120.300 -0.359 0.000 2.145 302 Y HA -0.104 4.445 4.550 -0.002 0.000 0.286 302 Y C 1.856 177.756 175.900 0.000 0.000 1.145 302 Y CA 1.971 60.030 58.100 -0.070 0.000 1.148 302 Y CB -0.515 37.619 38.460 -0.544 0.000 0.981 302 Y HN 0.097 nan 8.280 nan 0.000 0.507 303 A N -0.807 121.987 122.820 -0.044 0.000 2.308 303 A HA 0.402 4.721 4.320 -0.002 0.000 0.217 303 A C 1.517 179.013 177.584 -0.148 0.000 1.216 303 A CA 0.472 52.442 52.037 -0.111 0.000 0.864 303 A CB -1.021 18.115 19.000 0.226 0.000 0.902 303 A HN 0.904 nan 8.150 nan 0.000 0.499 304 G N 0.254 108.974 108.800 -0.134 0.000 2.333 304 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.296 304 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.296 304 G C -0.095 174.724 174.900 -0.135 0.000 1.059 304 G CA 0.337 45.348 45.100 -0.150 0.000 1.050 304 G HN 0.483 nan 8.290 nan 0.000 0.508 305 L N 0.194 121.347 121.223 -0.115 0.000 2.397 305 L HA 0.410 4.748 4.340 -0.002 0.000 0.271 305 L C 1.859 178.673 176.870 -0.093 0.000 1.148 305 L CA 0.090 54.886 54.840 -0.073 0.000 0.825 305 L CB 1.357 43.419 42.059 0.004 0.000 1.117 305 L HN 0.430 nan 8.230 nan 0.000 0.456 306 S N 0.011 115.699 115.700 -0.020 0.000 2.558 306 S HA 0.383 4.852 4.470 -0.002 0.000 0.217 306 S C 0.598 175.272 174.600 0.123 0.000 0.975 306 S CA 0.137 58.355 58.200 0.030 0.000 0.912 306 S CB 0.150 63.400 63.200 0.083 0.000 0.776 306 S HN 0.982 nan 8.310 nan 0.000 0.526 307 G N 0.017 108.897 108.800 0.132 0.000 2.327 307 G HA2 0.415 4.374 3.960 -0.002 0.000 0.291 307 G HA3 0.415 4.374 3.960 -0.002 0.000 0.291 307 G C -2.171 172.843 174.900 0.190 0.000 1.290 307 G CA -1.012 44.222 45.100 0.225 0.000 0.857 307 G HN 0.298 nan 8.290 nan 0.000 0.520 308 L N -0.247 121.108 121.223 0.219 0.000 2.371 308 L HA 0.722 5.061 4.340 -0.002 0.000 0.262 308 L C 0.117 177.002 176.870 0.026 0.000 1.006 308 L CA -0.989 53.916 54.840 0.109 0.000 0.818 308 L CB 2.543 44.693 42.059 0.152 0.000 1.354 308 L HN 0.595 nan 8.230 nan 0.000 0.415 309 R N 2.243 122.646 120.500 -0.161 0.000 2.295 309 R HA 0.573 4.912 4.340 -0.002 0.000 0.324 309 R C -1.191 175.059 176.300 -0.084 0.000 0.968 309 R CA -0.556 55.372 56.100 -0.287 0.000 0.837 309 R CB 0.985 30.774 30.300 -0.851 0.000 1.133 309 R HN 0.587 nan 8.270 nan 0.000 0.450 310 I N 4.063 124.646 120.570 0.022 0.000 2.291 310 I HA 0.083 4.252 4.170 -0.002 0.000 0.290 310 I C 0.239 176.447 176.117 0.152 0.000 1.050 310 I CA -0.576 60.806 61.300 0.137 0.000 1.245 310 I CB 1.076 39.251 38.000 0.292 0.000 1.405 310 I HN 0.566 nan 8.210 nan 0.000 0.478 311 D N 4.803 125.290 120.400 0.144 0.000 2.419 311 D HA -0.031 4.608 4.640 -0.002 0.000 0.236 311 D C 0.832 177.226 176.300 0.155 0.000 1.165 311 D CA 0.630 54.729 54.000 0.165 0.000 0.882 311 D CB 0.733 41.666 40.800 0.221 0.000 1.201 311 D HN 0.794 nan 8.370 nan 0.000 0.443 312 T N 0.814 115.469 114.554 0.168 0.000 3.558 312 T HA -0.355 3.994 4.350 -0.002 0.000 0.391 312 T C 0.936 175.846 174.700 0.350 0.000 0.766 312 T CA 1.328 63.585 62.100 0.262 0.000 1.951 312 T CB -2.237 66.650 68.868 0.031 0.000 1.743 312 T HN 0.548 nan 8.240 nan 0.000 0.688 313 Y N 1.904 122.280 120.300 0.126 0.000 2.014 313 Y HA -0.030 4.519 4.550 -0.002 0.000 0.270 313 Y C 2.509 178.281 175.900 -0.213 0.000 1.145 313 Y CA 2.434 60.488 58.100 -0.076 0.000 1.106 313 Y CB -0.982 37.362 38.460 -0.192 0.000 0.968 313 Y HN 0.508 nan 8.280 nan 0.000 0.484 314 G N -2.043 106.592 108.800 -0.276 0.000 2.535 314 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.218 314 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.218 314 G C 1.105 175.807 174.900 -0.329 0.000 1.122 314 G CA 0.751 45.562 45.100 -0.481 0.000 0.769 314 G HN 0.587 nan 8.290 nan 0.000 0.549 315 Y N 1.176 121.245 120.300 -0.386 0.000 2.561 315 Y HA 0.150 4.699 4.550 -0.002 0.000 0.291 315 Y C 1.820 177.508 175.900 -0.354 0.000 1.141 315 Y CA 0.017 57.752 58.100 -0.609 0.000 1.303 315 Y CB 0.196 38.471 38.460 -0.309 0.000 1.015 315 Y HN 0.033 nan 8.280 nan 0.000 0.547 316 S N -0.093 115.524 115.700 -0.139 0.000 2.652 316 S HA 0.032 4.501 4.470 -0.002 0.000 0.270 316 S C -0.476 174.101 174.600 -0.039 0.000 1.243 316 S CA -0.929 57.206 58.200 -0.108 0.000 0.999 316 S CB 0.643 63.799 63.200 -0.074 0.000 0.973 316 S HN 0.199 nan 8.310 nan 0.000 0.544 317 D N 0.668 121.073 120.400 0.008 0.000 2.472 317 D HA 0.221 4.860 4.640 -0.002 0.000 0.248 317 D C 1.419 177.855 176.300 0.228 0.000 1.174 317 D CA 0.538 54.594 54.000 0.094 0.000 0.883 317 D CB 0.405 41.238 40.800 0.056 0.000 1.149 317 D HN 0.512 nan 8.370 nan 0.000 0.488 318 G N 3.379 112.328 108.800 0.248 0.000 2.476 318 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.218 318 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.218 318 G C 1.452 176.640 174.900 0.480 0.000 1.164 318 G CA 0.955 46.296 45.100 0.402 0.000 0.768 318 G HN 0.645 nan 8.290 nan 0.000 0.560 319 A N 0.356 123.373 122.820 0.329 0.000 1.898 319 A HA 0.098 4.417 4.320 -0.002 0.000 0.216 319 A C 2.178 179.886 177.584 0.208 0.000 1.181 319 A CA 1.645 53.827 52.037 0.241 0.000 0.620 319 A CB -0.554 18.543 19.000 0.162 0.000 0.819 319 A HN 0.511 nan 8.150 nan 0.000 0.442 320 F N 0.846 120.848 119.950 0.087 0.000 2.095 320 F HA -0.187 4.339 4.527 -0.002 0.000 0.298 320 F C 1.812 177.685 175.800 0.123 0.000 1.104 320 F CA 1.915 59.951 58.000 0.060 0.000 1.232 320 F CB -0.453 38.539 39.000 -0.012 0.000 0.987 320 F HN 0.141 nan 8.300 nan 0.000 0.475 321 L N -0.096 121.095 121.223 -0.053 0.000 2.079 321 L HA -0.255 4.083 4.340 -0.002 0.000 0.210 321 L C 2.399 179.328 176.870 0.098 0.000 1.081 321 L CA 1.855 56.645 54.840 -0.084 0.000 0.752 321 L CB -1.298 40.793 42.059 0.054 0.000 0.896 321 L HN 0.213 nan 8.230 nan 0.000 0.433 322 T N -0.944 113.698 114.554 0.148 0.000 2.652 322 T HA -0.273 4.076 4.350 -0.002 0.000 0.267 322 T C 1.803 176.506 174.700 0.005 0.000 1.039 322 T CA 1.875 64.019 62.100 0.073 0.000 1.153 322 T CB -0.184 68.669 68.868 -0.025 0.000 0.863 322 T HN 0.287 nan 8.240 nan 0.000 0.428 323 E N 0.012 120.184 120.200 -0.047 0.000 2.106 323 E HA -0.112 4.237 4.350 -0.002 0.000 0.192 323 E C 1.869 178.374 176.600 -0.158 0.000 0.984 323 E CA 0.918 57.258 56.400 -0.098 0.000 0.806 323 E CB -0.411 29.256 29.700 -0.055 0.000 0.750 323 E HN 0.658 nan 8.360 nan 0.000 0.458 324 Y N 0.984 121.045 120.300 -0.398 0.000 2.070 324 Y HA -0.272 4.277 4.550 -0.002 0.000 0.280 324 Y C 2.486 178.283 175.900 -0.172 0.000 1.148 324 Y CA 2.910 60.761 58.100 -0.415 0.000 1.125 324 Y CB -0.897 37.071 38.460 -0.819 0.000 0.975 324 Y HN 0.235 nan 8.280 nan 0.000 0.492 325 T N -0.991 113.579 114.554 0.027 0.000 2.833 325 T HA -0.209 4.139 4.350 -0.002 0.000 0.269 325 T C 2.047 176.678 174.700 -0.114 0.000 1.054 325 T CA 1.436 63.562 62.100 0.043 0.000 1.135 325 T CB -0.545 68.493 68.868 0.283 0.000 0.869 325 T HN 0.422 nan 8.240 nan 0.000 0.466 326 R N 0.855 121.197 120.500 -0.263 0.000 2.070 326 R HA -0.048 4.291 4.340 -0.002 0.000 0.233 326 R C 2.820 178.920 176.300 -0.333 0.000 1.137 326 R CA 1.003 56.767 56.100 -0.561 0.000 0.945 326 R CB -0.132 29.840 30.300 -0.547 0.000 0.845 326 R HN 0.243 nan 8.270 nan 0.000 0.430 327 R N 0.393 120.734 120.500 -0.266 0.000 2.091 327 R HA -0.132 4.207 4.340 -0.002 0.000 0.238 327 R C 2.339 178.521 176.300 -0.196 0.000 1.136 327 R CA 1.120 57.090 56.100 -0.218 0.000 0.959 327 R CB -0.722 29.442 30.300 -0.227 0.000 0.856 327 R HN 0.231 nan 8.270 nan 0.000 0.437 328 L N 0.131 121.207 121.223 -0.245 0.000 2.093 328 L HA -0.094 4.245 4.340 -0.002 0.000 0.208 328 L C 2.369 179.214 176.870 -0.042 0.000 1.085 328 L CA 1.343 56.096 54.840 -0.145 0.000 0.755 328 L CB -0.341 41.559 42.059 -0.265 0.000 0.904 328 L HN 0.078 nan 8.230 nan 0.000 0.435 329 M N -1.471 118.085 119.600 -0.073 0.000 2.419 329 M HA 0.053 4.532 4.480 -0.002 0.000 0.264 329 M C 2.342 178.607 176.300 -0.057 0.000 1.082 329 M CA 1.102 56.391 55.300 -0.019 0.000 1.119 329 M CB -1.324 31.293 32.600 0.028 0.000 1.398 329 M HN 0.262 nan 8.290 nan 0.000 0.453 330 A N 0.198 122.949 122.820 -0.114 0.000 1.898 330 A HA -0.111 4.208 4.320 -0.002 0.000 0.216 330 A C 2.119 179.610 177.584 -0.156 0.000 1.181 330 A CA 1.251 53.222 52.037 -0.109 0.000 0.620 330 A CB -0.300 18.639 19.000 -0.101 0.000 0.819 330 A HN 0.364 nan 8.150 nan 0.000 0.442 331 E N -0.974 119.068 120.200 -0.264 0.000 2.072 331 E HA -0.093 4.256 4.350 -0.002 0.000 0.190 331 E C -0.378 175.774 176.600 -0.747 0.000 0.982 331 E CA 0.926 56.980 56.400 -0.576 0.000 0.803 331 E CB -0.175 29.013 29.700 -0.852 0.000 0.755 331 E HN 0.746 nan 8.360 nan 0.000 0.453 332 Y N -0.446 119.820 120.300 -0.056 0.000 2.787 332 Y HA 0.284 4.833 4.550 -0.002 0.000 0.352 332 Y C -1.894 173.975 175.900 -0.052 0.000 1.027 332 Y CA -2.466 55.599 58.100 -0.059 0.000 1.219 332 Y CB 1.329 39.749 38.460 -0.067 0.000 1.110 332 Y HN -0.036 nan 8.280 nan 0.000 0.614 333 P HA -0.090 nan 4.420 nan 0.000 0.225 333 P C 0.845 178.152 177.300 0.013 0.000 1.148 333 P CA 1.430 64.541 63.100 0.018 0.000 0.779 333 P CB 0.337 32.037 31.700 -0.000 0.000 0.780 334 R N -1.870 118.640 120.500 0.017 0.000 2.397 334 R HA 0.231 4.570 4.340 -0.002 0.000 0.241 334 R C 0.515 176.784 176.300 -0.051 0.000 0.914 334 R CA -0.551 55.536 56.100 -0.021 0.000 1.071 334 R CB -0.178 30.109 30.300 -0.020 0.000 1.116 334 R HN 0.195 nan 8.270 nan 0.000 0.524 335 L N 1.274 122.484 121.223 -0.021 0.000 2.476 335 L HA 0.117 4.456 4.340 -0.002 0.000 0.264 335 L C -0.096 176.671 176.870 -0.172 0.000 1.224 335 L CA 0.359 55.155 54.840 -0.074 0.000 0.821 335 L CB 0.486 42.543 42.059 -0.003 0.000 1.101 335 L HN -0.079 nan 8.230 nan 0.000 0.488 336 N N 2.597 121.107 118.700 -0.316 0.000 2.238 336 N HA 0.596 5.334 4.740 -0.002 0.000 0.302 336 N C -1.669 173.659 175.510 -0.303 0.000 1.072 336 N CA -0.423 52.305 53.050 -0.537 0.000 0.792 336 N CB 1.446 39.152 38.487 -1.302 0.000 1.425 336 N HN 0.536 nan 8.380 nan 0.000 0.478 337 M N 1.944 121.469 119.600 -0.125 0.000 2.267 337 M HA 0.299 4.778 4.480 -0.002 0.000 0.289 337 M C -1.109 175.236 176.300 0.076 0.000 1.043 337 M CA -1.038 54.311 55.300 0.083 0.000 0.928 337 M CB 2.556 35.228 32.600 0.120 0.000 1.613 337 M HN 0.189 nan 8.290 nan 0.000 0.450 338 V N 3.149 123.140 119.914 0.127 0.000 2.313 338 V HA 0.731 4.850 4.120 -0.002 0.000 0.278 338 V C 0.069 176.123 176.094 -0.067 0.000 1.017 338 V CA -0.114 62.203 62.300 0.028 0.000 0.823 338 V CB 1.106 32.966 31.823 0.061 0.000 1.010 338 V HN 0.937 nan 8.190 nan 0.000 0.443 339 G N 4.677 113.385 108.800 -0.154 0.000 2.403 339 G HA2 0.280 4.239 3.960 -0.002 0.000 0.259 339 G HA3 0.280 4.239 3.960 -0.002 0.000 0.259 339 G C -0.245 174.630 174.900 -0.043 0.000 1.244 339 G CA -0.278 44.689 45.100 -0.222 0.000 0.849 339 G HN 0.810 nan 8.290 nan 0.000 0.532 340 Q N 1.082 120.944 119.800 0.104 0.000 2.389 340 Q HA 0.183 4.522 4.340 -0.002 0.000 0.244 340 Q C -0.693 175.482 176.000 0.291 0.000 1.056 340 Q CA -0.301 55.642 55.803 0.233 0.000 0.908 340 Q CB 0.538 29.417 28.738 0.236 0.000 1.273 340 Q HN 0.518 nan 8.270 nan 0.000 0.471 341 E N 5.199 125.582 120.200 0.306 0.000 2.121 341 E HA 0.063 4.412 4.350 -0.002 0.000 0.255 341 E C -1.560 175.213 176.600 0.288 0.000 0.906 341 E CA -0.470 56.107 56.400 0.296 0.000 0.745 341 E CB 0.363 30.212 29.700 0.249 0.000 1.155 341 E HN 0.523 nan 8.360 nan 0.000 0.424 342 W N 5.115 126.385 121.300 -0.050 0.000 2.598 342 W HA 0.350 5.009 4.660 -0.002 0.000 0.396 342 W C -0.725 175.688 176.519 -0.178 0.000 1.142 342 W CA -0.012 57.043 57.345 -0.484 0.000 1.568 342 W CB -0.060 29.132 29.460 -0.447 0.000 1.637 342 W HN 0.437 nan 8.180 nan 0.000 0.417 343 S N 2.691 118.512 115.700 0.201 0.000 2.543 343 S HA 0.233 4.702 4.470 -0.002 0.000 0.271 343 S C 0.775 175.527 174.600 0.253 0.000 1.148 343 S CA -0.108 58.240 58.200 0.248 0.000 0.914 343 S CB 1.164 64.495 63.200 0.218 0.000 1.096 343 S HN 0.345 nan 8.310 nan 0.000 0.471 344 T N 1.221 115.909 114.554 0.224 0.000 3.129 344 T HA 0.265 4.614 4.350 -0.002 0.000 0.251 344 T C 0.503 175.292 174.700 0.148 0.000 1.117 344 T CA 0.071 62.290 62.100 0.198 0.000 1.034 344 T CB -0.223 68.746 68.868 0.170 0.000 0.968 344 T HN 0.508 nan 8.240 nan 0.000 0.526 345 R N 0.832 121.412 120.500 0.133 0.000 2.254 345 R HA 0.458 4.797 4.340 -0.002 0.000 0.318 345 R C 0.911 177.263 176.300 0.087 0.000 1.031 345 R CA -0.447 55.705 56.100 0.086 0.000 0.905 345 R CB 1.508 31.842 30.300 0.057 0.000 1.050 345 R HN -0.018 nan 8.270 nan 0.000 0.456 346 V N 5.169 125.108 119.914 0.041 0.000 2.295 346 V HA -0.163 3.956 4.120 -0.002 0.000 0.246 346 V C -1.032 174.961 176.094 -0.168 0.000 1.049 346 V CA 1.704 63.991 62.300 -0.022 0.000 1.024 346 V CB -0.916 30.864 31.823 -0.071 0.000 0.648 346 V HN 0.684 nan 8.190 nan 0.000 0.447 347 P HA -0.068 nan 4.420 nan 0.000 0.218 347 P C 1.870 179.110 177.300 -0.100 0.000 1.149 347 P CA 1.068 64.069 63.100 -0.165 0.000 0.817 347 P CB -0.074 31.556 31.700 -0.117 0.000 0.785 348 V N -0.554 119.349 119.914 -0.018 0.000 2.358 348 V HA -0.175 3.944 4.120 -0.002 0.000 0.246 348 V C 2.438 178.631 176.094 0.164 0.000 1.047 348 V CA 1.666 63.997 62.300 0.052 0.000 1.035 348 V CB -1.150 30.729 31.823 0.093 0.000 0.658 348 V HN -0.026 nan 8.190 nan 0.000 0.452 349 V N 0.402 120.438 119.914 0.203 0.000 2.323 349 V HA -0.158 3.960 4.120 -0.002 0.000 0.244 349 V C 2.731 179.008 176.094 0.305 0.000 1.041 349 V CA 1.748 64.269 62.300 0.368 0.000 1.025 349 V CB -1.158 30.914 31.823 0.416 0.000 0.656 349 V HN 0.529 nan 8.190 nan 0.000 0.451 350 A N 0.046 122.848 122.820 -0.031 0.000 2.024 350 A HA -0.260 4.059 4.320 -0.002 0.000 0.220 350 A C 2.373 179.927 177.584 -0.049 0.000 1.164 350 A CA 1.740 53.646 52.037 -0.218 0.000 0.643 350 A CB -0.655 17.921 19.000 -0.708 0.000 0.806 350 A HN 0.385 nan 8.150 nan 0.000 0.451 351 R N -0.988 119.443 120.500 -0.115 0.000 2.127 351 R HA -0.196 4.143 4.340 -0.002 0.000 0.238 351 R C 1.440 177.637 176.300 -0.172 0.000 1.134 351 R CA 1.829 57.776 56.100 -0.255 0.000 0.975 351 R CB -0.370 29.602 30.300 -0.546 0.000 0.865 351 R HN 0.781 nan 8.270 nan 0.000 0.447 352 W N 0.712 122.113 121.300 0.168 0.000 3.003 352 W HA 0.158 4.817 4.660 -0.001 0.000 0.257 352 W C 1.005 177.622 176.519 0.164 0.000 1.308 352 W CA -0.523 56.963 57.345 0.236 0.000 1.529 352 W CB 0.158 29.739 29.460 0.202 0.000 1.115 352 W HN 0.095 nan 8.180 nan 0.000 0.659 353 Q N 2.023 121.999 119.800 0.293 0.000 2.327 353 Q HA 0.077 4.416 4.340 -0.002 0.000 0.254 353 Q C 0.773 176.844 176.000 0.118 0.000 0.952 353 Q CA -0.621 55.298 55.803 0.194 0.000 0.884 353 Q CB 0.666 29.530 28.738 0.210 0.000 1.224 353 Q HN -0.040 nan 8.270 nan 0.000 0.422 354 R N 2.315 122.855 120.500 0.066 0.000 2.486 354 R HA -0.034 4.305 4.340 -0.002 0.000 0.303 354 R C 0.449 176.724 176.300 -0.042 0.000 0.958 354 R CA 1.382 57.469 56.100 -0.021 0.000 1.077 354 R CB -0.568 29.716 30.300 -0.027 0.000 0.921 354 R HN 0.957 nan 8.270 nan 0.000 0.406 355 G N 3.219 111.963 108.800 -0.094 0.000 2.176 355 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.253 355 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.253 355 G C -0.071 174.808 174.900 -0.034 0.000 0.979 355 G CA 0.388 45.443 45.100 -0.075 0.000 0.641 355 G HN 0.680 nan 8.290 nan 0.000 0.530 356 K N 1.380 121.773 120.400 -0.011 0.000 2.383 356 K HA 0.628 4.947 4.320 -0.002 0.000 0.286 356 K C 0.698 177.291 176.600 -0.012 0.000 1.051 356 K CA 0.513 56.801 56.287 0.002 0.000 0.974 356 K CB 0.505 33.017 32.500 0.020 0.000 0.968 356 K HN 0.891 nan 8.250 nan 0.000 0.475 357 A N 5.326 128.142 122.820 -0.008 0.000 2.410 357 A HA 0.201 4.520 4.320 -0.002 0.000 0.292 357 A C -0.625 176.960 177.584 0.002 0.000 1.232 357 A CA -0.380 51.652 52.037 -0.008 0.000 0.893 357 A CB -0.552 18.449 19.000 0.002 0.000 1.131 357 A HN 0.950 nan 8.150 nan 0.000 0.530 358 N N 0.702 119.393 118.700 -0.016 0.000 2.472 358 N HA 0.475 5.214 4.740 -0.002 0.000 0.289 358 N C 0.798 176.288 175.510 -0.033 0.000 1.156 358 N CA -0.557 52.479 53.050 -0.023 0.000 0.940 358 N CB 0.785 39.212 38.487 -0.101 0.000 1.200 358 N HN 0.641 nan 8.380 nan 0.000 0.511 359 F N 0.393 120.308 119.950 -0.057 0.000 2.216 359 F HA -0.057 4.468 4.527 -0.002 0.000 0.300 359 F C 1.331 177.103 175.800 -0.047 0.000 1.085 359 F CA 0.823 58.789 58.000 -0.057 0.000 1.326 359 F CB -0.354 38.598 39.000 -0.079 0.000 1.027 359 F HN 0.413 nan 8.300 nan 0.000 0.497 360 D N -0.755 119.071 120.400 -0.957 0.000 2.328 360 D HA 0.181 4.820 4.640 -0.002 0.000 0.221 360 D C 1.778 177.911 176.300 -0.278 0.000 1.072 360 D CA 0.373 53.987 54.000 -0.642 0.000 0.850 360 D CB -0.364 39.916 40.800 -0.866 0.000 0.922 360 D HN 0.525 nan 8.370 nan 0.000 0.516 361 G N 0.191 108.875 108.800 -0.195 0.000 2.160 361 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.251 361 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.251 361 G C -0.248 174.616 174.900 -0.060 0.000 1.008 361 G CA 0.097 45.141 45.100 -0.095 0.000 0.724 361 G HN 0.508 nan 8.290 nan 0.000 0.514 362 Y N 2.571 122.753 120.300 -0.197 0.000 2.465 362 Y HA 0.460 5.009 4.550 -0.002 0.000 0.331 362 Y C 1.134 176.981 175.900 -0.089 0.000 1.102 362 Y CA 0.480 58.492 58.100 -0.147 0.000 1.358 362 Y CB 0.662 38.992 38.460 -0.218 0.000 1.213 362 Y HN 0.415 nan 8.280 nan 0.000 0.525 363 T N 2.195 116.391 114.554 -0.596 0.000 2.888 363 T HA 0.687 5.036 4.350 -0.002 0.000 0.284 363 T C -0.485 173.888 174.700 -0.545 0.000 1.017 363 T CA -0.842 61.007 62.100 -0.419 0.000 1.022 363 T CB 1.673 70.402 68.868 -0.233 0.000 1.013 363 T HN 0.601 nan 8.240 nan 0.000 0.465 364 S N -0.102 115.455 115.700 -0.239 0.000 2.579 364 S HA 0.495 4.964 4.470 -0.002 0.000 0.272 364 S C -1.095 173.464 174.600 -0.069 0.000 1.141 364 S CA -0.675 57.523 58.200 -0.003 0.000 0.843 364 S CB 1.254 64.597 63.200 0.239 0.000 1.122 364 S HN 0.878 nan 8.310 nan 0.000 0.468 365 H N 1.283 120.397 119.070 0.074 0.000 2.785 365 H HA 0.393 4.948 4.556 -0.002 0.000 0.268 365 H C -0.268 175.103 175.328 0.072 0.000 1.153 365 H CA -0.274 55.803 56.048 0.049 0.000 1.111 365 H CB 0.489 30.260 29.762 0.016 0.000 1.633 365 H HN 0.317 nan 8.280 nan 0.000 0.576 366 L N 3.161 124.509 121.223 0.207 0.000 2.456 366 L HA 0.190 4.529 4.340 -0.002 0.000 0.277 366 L C -1.785 175.120 176.870 0.058 0.000 1.124 366 L CA -1.451 53.471 54.840 0.136 0.000 0.880 366 L CB 0.976 43.090 42.059 0.092 0.000 1.192 366 L HN -0.040 nan 8.230 nan 0.000 0.463 367 P HA -0.006 nan 4.420 nan 0.000 0.222 367 P C -0.191 177.085 177.300 -0.040 0.000 1.153 367 P CA 0.554 63.637 63.100 -0.027 0.000 0.798 367 P CB 0.375 32.026 31.700 -0.081 0.000 0.796 368 S N -1.558 114.117 115.700 -0.041 0.000 2.588 368 S HA 0.720 5.189 4.470 -0.002 0.000 0.275 368 S C -1.607 172.973 174.600 -0.034 0.000 1.130 368 S CA -0.654 57.525 58.200 -0.035 0.000 0.855 368 S CB 0.427 63.613 63.200 -0.024 0.000 1.116 368 S HN -0.184 nan 8.310 nan 0.000 0.472 369 L N 2.316 123.528 121.223 -0.018 0.000 2.415 369 L HA 0.591 4.930 4.340 -0.002 0.000 0.256 369 L C -0.707 176.169 176.870 0.010 0.000 1.010 369 L CA -0.803 54.040 54.840 0.004 0.000 0.826 369 L CB 1.952 44.070 42.059 0.099 0.000 1.405 369 L HN 0.529 nan 8.230 nan 0.000 0.410 370 M N 1.538 121.163 119.600 0.042 0.000 2.184 370 M HA 0.082 4.560 4.480 -0.002 0.000 0.351 370 M C -0.238 176.064 176.300 0.003 0.000 1.395 370 M CA -0.077 55.212 55.300 -0.019 0.000 1.117 370 M CB 0.248 32.736 32.600 -0.187 0.000 1.708 370 M HN 0.387 nan 8.290 nan 0.000 0.468 371 D N 3.418 123.777 120.400 -0.069 0.000 2.688 371 D HA 0.068 4.706 4.640 -0.002 0.000 0.228 371 D C 0.747 176.926 176.300 -0.202 0.000 1.116 371 D CA 0.008 53.943 54.000 -0.109 0.000 1.023 371 D CB -0.285 40.407 40.800 -0.179 0.000 1.100 371 D HN 0.347 nan 8.370 nan 0.000 0.487 372 F N 1.051 121.024 119.950 0.038 0.000 2.171 372 F HA -0.025 4.501 4.527 -0.002 0.000 0.300 372 F C -0.561 175.228 175.800 -0.018 0.000 1.090 372 F CA 0.520 58.511 58.000 -0.015 0.000 1.293 372 F CB -1.212 37.758 39.000 -0.050 0.000 1.013 372 F HN 0.330 nan 8.300 nan 0.000 0.486 373 P HA -0.197 nan 4.420 nan 0.000 0.214 373 P C 1.945 179.282 177.300 0.061 0.000 1.163 373 P CA 1.201 64.384 63.100 0.137 0.000 0.883 373 P CB -0.014 31.781 31.700 0.158 0.000 0.788 374 L N -0.904 120.334 121.223 0.026 0.000 2.141 374 L HA -0.085 4.254 4.340 -0.002 0.000 0.209 374 L C 2.131 178.989 176.870 -0.019 0.000 1.094 374 L CA 1.590 56.450 54.840 0.034 0.000 0.763 374 L CB -1.012 41.085 42.059 0.064 0.000 0.908 374 L HN -0.203 nan 8.230 nan 0.000 0.437 375 V N -0.493 119.320 119.914 -0.167 0.000 2.358 375 V HA -0.269 3.849 4.120 -0.002 0.000 0.246 375 V C 2.254 178.287 176.094 -0.100 0.000 1.047 375 V CA 1.890 64.040 62.300 -0.249 0.000 1.035 375 V CB -0.648 30.774 31.823 -0.669 0.000 0.658 375 V HN 0.503 nan 8.190 nan 0.000 0.452 376 D N 0.225 120.612 120.400 -0.022 0.000 2.144 376 D HA -0.118 4.520 4.640 -0.002 0.000 0.200 376 D C 2.100 178.396 176.300 -0.006 0.000 0.978 376 D CA 1.398 55.418 54.000 0.034 0.000 0.833 376 D CB -0.114 40.749 40.800 0.104 0.000 0.961 376 D HN 0.354 nan 8.370 nan 0.000 0.470 377 A N 0.007 122.812 122.820 -0.026 0.000 1.902 377 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 377 A C 2.150 179.653 177.584 -0.135 0.000 1.181 377 A CA 1.893 53.892 52.037 -0.064 0.000 0.623 377 A CB -0.718 18.247 19.000 -0.059 0.000 0.818 377 A HN 0.372 nan 8.150 nan 0.000 0.443 378 M N -0.259 119.226 119.600 -0.191 0.000 2.200 378 M HA -0.014 4.465 4.480 -0.002 0.000 0.265 378 M C 1.979 178.176 176.300 -0.171 0.000 1.066 378 M CA 1.389 56.508 55.300 -0.303 0.000 1.127 378 M CB -0.514 31.764 32.600 -0.538 0.000 1.379 378 M HN 0.357 nan 8.290 nan 0.000 0.420 379 R N -0.278 120.165 120.500 -0.096 0.000 2.092 379 R HA -0.086 4.253 4.340 -0.002 0.000 0.231 379 R C 1.875 178.157 176.300 -0.029 0.000 1.119 379 R CA 1.440 57.517 56.100 -0.038 0.000 0.970 379 R CB -0.617 29.682 30.300 -0.001 0.000 0.864 379 R HN 0.470 nan 8.270 nan 0.000 0.440 380 N N 1.113 119.793 118.700 -0.033 0.000 2.084 380 N HA -0.151 4.588 4.740 -0.002 0.000 0.190 380 N C 1.718 177.202 175.510 -0.043 0.000 1.030 380 N CA 1.603 54.637 53.050 -0.026 0.000 0.849 380 N CB -0.447 38.027 38.487 -0.023 0.000 1.012 380 N HN 0.190 nan 8.380 nan 0.000 0.423 381 A N 1.010 123.783 122.820 -0.079 0.000 1.978 381 A HA -0.075 4.244 4.320 -0.002 0.000 0.220 381 A C 2.286 179.835 177.584 -0.058 0.000 1.170 381 A CA 1.057 53.039 52.037 -0.091 0.000 0.636 381 A CB -0.562 18.343 19.000 -0.159 0.000 0.810 381 A HN 0.250 nan 8.150 nan 0.000 0.448 382 L N -0.316 120.878 121.223 -0.047 0.000 2.249 382 L HA -0.043 4.296 4.340 -0.002 0.000 0.207 382 L C 2.802 179.672 176.870 -0.001 0.000 1.090 382 L CA 1.164 55.995 54.840 -0.015 0.000 0.802 382 L CB -0.347 41.711 42.059 -0.003 0.000 0.947 382 L HN 0.545 nan 8.230 nan 0.000 0.453 383 S N -0.763 114.934 115.700 -0.005 0.000 2.414 383 S HA -0.051 4.418 4.470 -0.002 0.000 0.227 383 S C 1.039 175.640 174.600 0.001 0.000 1.022 383 S CA 0.191 58.392 58.200 0.001 0.000 0.958 383 S CB -0.200 63.004 63.200 0.006 0.000 0.797 383 S HN 0.064 nan 8.310 nan 0.000 0.493 384 K N 2.929 123.326 120.400 -0.005 0.000 2.228 384 K HA 0.339 4.658 4.320 -0.002 0.000 0.284 384 K C 0.884 177.484 176.600 -0.001 0.000 1.088 384 K CA 0.121 56.406 56.287 -0.004 0.000 0.941 384 K CB 0.220 32.714 32.500 -0.010 0.000 1.158 384 K HN 0.257 nan 8.250 nan 0.000 0.438 385 T N 0.505 115.062 114.554 0.004 0.000 2.668 385 T HA -0.112 4.237 4.350 -0.002 0.000 0.262 385 T C 1.855 176.559 174.700 0.007 0.000 1.045 385 T CA 1.592 63.697 62.100 0.008 0.000 1.152 385 T CB -0.228 68.646 68.868 0.009 0.000 0.864 385 T HN 0.710 nan 8.240 nan 0.000 0.419 386 G N 1.014 109.818 108.800 0.006 0.000 2.471 386 G HA2 -0.071 3.888 3.960 -0.002 0.000 0.219 386 G HA3 -0.071 3.888 3.960 -0.002 0.000 0.219 386 G C 0.591 175.494 174.900 0.004 0.000 1.125 386 G CA 0.112 45.216 45.100 0.006 0.000 0.775 386 G HN 0.372 nan 8.290 nan 0.000 0.548 387 E N 0.540 120.741 120.200 0.001 0.000 2.480 387 E HA 0.131 4.480 4.350 -0.002 0.000 0.258 387 E C 1.359 177.957 176.600 -0.003 0.000 0.984 387 E CA 0.040 56.438 56.400 -0.003 0.000 0.930 387 E CB 0.559 30.253 29.700 -0.010 0.000 0.936 387 E HN 0.375 nan 8.360 nan 0.000 0.466 388 E N 2.566 122.765 120.200 -0.002 0.000 2.107 388 E HA -0.138 4.211 4.350 -0.002 0.000 0.191 388 E C 0.215 176.814 176.600 -0.003 0.000 0.982 388 E CA 0.743 57.144 56.400 0.001 0.000 0.809 388 E CB 0.170 29.872 29.700 0.003 0.000 0.756 388 E HN 0.231 nan 8.360 nan 0.000 0.459 389 N N -0.779 117.913 118.700 -0.012 0.000 2.711 389 N HA 0.109 4.847 4.740 -0.002 0.000 0.263 389 N C 0.214 175.696 175.510 -0.047 0.000 1.667 389 N CA -0.002 53.033 53.050 -0.025 0.000 0.785 389 N CB 0.860 39.334 38.487 -0.022 0.000 1.231 389 N HN 0.034 nan 8.380 nan 0.000 0.503 390 G N 0.065 108.834 108.800 -0.051 0.000 2.448 390 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.218 390 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.218 390 G C 1.222 176.049 174.900 -0.122 0.000 1.135 390 G CA 0.417 45.477 45.100 -0.068 0.000 0.784 390 G HN 0.464 nan 8.290 nan 0.000 0.543 391 L N 0.540 121.665 121.223 -0.164 0.000 2.362 391 L HA -0.031 4.308 4.340 -0.002 0.000 0.219 391 L C 2.524 179.169 176.870 -0.375 0.000 1.134 391 L CA 0.534 55.185 54.840 -0.316 0.000 0.807 391 L CB -0.304 41.548 42.059 -0.346 0.000 0.927 391 L HN 0.205 nan 8.230 nan 0.000 0.447 392 N N 0.561 119.132 118.700 -0.215 0.000 2.184 392 N HA -0.288 4.451 4.740 -0.002 0.000 0.190 392 N C 1.769 177.241 175.510 -0.064 0.000 1.011 392 N CA 1.516 54.500 53.050 -0.110 0.000 0.867 392 N CB 0.050 38.512 38.487 -0.042 0.000 0.993 392 N HN 0.356 nan 8.380 nan 0.000 0.433 393 E N -0.844 119.292 120.200 -0.107 0.000 2.106 393 E HA -0.108 4.241 4.350 -0.002 0.000 0.192 393 E C 1.692 178.225 176.600 -0.112 0.000 0.984 393 E CA 0.983 57.333 56.400 -0.082 0.000 0.806 393 E CB 0.156 29.810 29.700 -0.077 0.000 0.750 393 E HN 0.222 nan 8.360 nan 0.000 0.458 394 V N 0.651 120.428 119.914 -0.228 0.000 2.270 394 V HA -0.260 3.859 4.120 -0.002 0.000 0.245 394 V C 2.124 178.127 176.094 -0.152 0.000 1.043 394 V CA 2.024 64.167 62.300 -0.263 0.000 1.014 394 V CB -0.858 30.624 31.823 -0.567 0.000 0.645 394 V HN 0.397 nan 8.190 nan 0.000 0.447 395 Y N 1.508 121.545 120.300 -0.438 0.000 2.053 395 Y HA -0.285 4.264 4.550 -0.002 0.000 0.277 395 Y C 2.576 178.472 175.900 -0.007 0.000 1.159 395 Y CA 2.282 60.246 58.100 -0.226 0.000 1.125 395 Y CB -0.410 37.823 38.460 -0.377 0.000 0.969 395 Y HN 0.331 nan 8.280 nan 0.000 0.492 396 E N -0.916 119.197 120.200 -0.145 0.000 2.110 396 E HA -0.171 4.178 4.350 -0.002 0.000 0.193 396 E C 2.057 178.617 176.600 -0.067 0.000 0.988 396 E CA 1.678 57.979 56.400 -0.166 0.000 0.804 396 E CB -0.176 29.507 29.700 -0.028 0.000 0.745 396 E HN 0.520 nan 8.360 nan 0.000 0.458 397 T N 1.466 116.011 114.554 -0.016 0.000 2.777 397 T HA -0.099 4.250 4.350 -0.002 0.000 0.266 397 T C 1.959 176.700 174.700 0.068 0.000 1.040 397 T CA 0.644 62.761 62.100 0.029 0.000 1.141 397 T CB -0.131 68.760 68.868 0.039 0.000 0.868 397 T HN 0.082 nan 8.240 nan 0.000 0.444 398 L N 1.588 122.877 121.223 0.111 0.000 2.083 398 L HA -0.122 4.217 4.340 -0.002 0.000 0.209 398 L C 2.849 179.796 176.870 0.129 0.000 1.083 398 L CA 1.388 56.325 54.840 0.162 0.000 0.752 398 L CB -0.568 41.683 42.059 0.319 0.000 0.899 398 L HN 0.381 nan 8.230 nan 0.000 0.433 399 S N -0.194 115.566 115.700 0.100 0.000 2.442 399 S HA -0.149 4.320 4.470 -0.002 0.000 0.236 399 S C 1.734 176.440 174.600 0.177 0.000 1.007 399 S CA 0.878 59.136 58.200 0.097 0.000 0.965 399 S CB -0.524 62.647 63.200 -0.048 0.000 0.773 399 S HN 0.459 nan 8.310 nan 0.000 0.504 400 L N 0.935 122.196 121.223 0.064 0.000 2.599 400 L HA 0.113 4.452 4.340 -0.002 0.000 0.230 400 L C 1.615 178.333 176.870 -0.254 0.000 1.141 400 L CA 0.284 55.034 54.840 -0.151 0.000 0.877 400 L CB -0.565 41.409 42.059 -0.142 0.000 1.009 400 L HN 0.160 nan 8.230 nan 0.000 0.447 401 D N 0.480 120.898 120.400 0.030 0.000 2.271 401 D HA -0.246 4.393 4.640 -0.002 0.000 0.207 401 D C 1.893 178.255 176.300 0.103 0.000 0.983 401 D CA 1.356 55.444 54.000 0.147 0.000 0.878 401 D CB -0.151 40.715 40.800 0.111 0.000 0.920 401 D HN 0.590 nan 8.370 nan 0.000 0.479 402 Y N -0.514 119.831 120.300 0.075 0.000 2.465 402 Y HA -0.046 4.503 4.550 -0.002 0.000 0.289 402 Y C 1.899 177.812 175.900 0.021 0.000 1.150 402 Y CA 0.537 58.662 58.100 0.042 0.000 1.293 402 Y CB -0.804 37.666 38.460 0.017 0.000 0.977 402 Y HN -0.023 nan 8.280 nan 0.000 0.556 403 L N -0.872 120.032 121.223 -0.530 0.000 2.217 403 L HA -0.069 4.270 4.340 -0.002 0.000 0.211 403 L C 0.225 176.917 176.870 -0.297 0.000 1.107 403 L CA 0.305 54.873 54.840 -0.452 0.000 0.783 403 L CB -0.386 41.290 42.059 -0.639 0.000 0.919 403 L HN 0.182 nan 8.230 nan 0.000 0.442 404 Y N 0.416 120.660 120.300 -0.093 0.000 2.319 404 Y HA 0.117 4.666 4.550 -0.002 0.000 0.328 404 Y C -1.157 174.736 175.900 -0.012 0.000 1.133 404 Y CA -2.302 55.777 58.100 -0.035 0.000 1.265 404 Y CB -0.023 38.420 38.460 -0.028 0.000 1.218 404 Y HN -0.110 nan 8.280 nan 0.000 0.508 405 P HA -0.141 nan 4.420 nan 0.000 0.218 405 P C -0.576 176.767 177.300 0.072 0.000 1.149 405 P CA 1.393 64.543 63.100 0.083 0.000 0.817 405 P CB 0.508 32.240 31.700 0.052 0.000 0.785 406 E N -0.302 119.948 120.200 0.083 0.000 2.914 406 E HA 0.152 4.501 4.350 -0.002 0.000 0.246 406 E C -2.035 174.556 176.600 -0.014 0.000 1.146 406 E CA -1.659 54.756 56.400 0.025 0.000 0.803 406 E CB 1.382 31.078 29.700 -0.007 0.000 1.409 406 E HN 0.195 nan 8.360 nan 0.000 0.392 407 P HA -0.171 nan 4.420 nan 0.000 0.221 407 P C 0.752 177.943 177.300 -0.182 0.000 1.150 407 P CA 1.019 64.027 63.100 -0.153 0.000 0.800 407 P CB 0.402 32.091 31.700 -0.019 0.000 0.787 408 Q N -0.831 118.905 119.800 -0.106 0.000 2.365 408 Q HA 0.031 4.370 4.340 -0.002 0.000 0.203 408 Q C 1.081 177.024 176.000 -0.094 0.000 0.929 408 Q CA 0.228 55.970 55.803 -0.101 0.000 0.948 408 Q CB -0.417 28.274 28.738 -0.078 0.000 1.043 408 Q HN 0.197 nan 8.270 nan 0.000 0.505 409 N N -0.053 118.585 118.700 -0.103 0.000 2.205 409 N HA 0.123 4.862 4.740 -0.002 0.000 0.201 409 N C -0.380 175.077 175.510 -0.088 0.000 1.128 409 N CA -0.052 52.945 53.050 -0.089 0.000 0.867 409 N CB 0.501 38.936 38.487 -0.086 0.000 0.996 409 N HN 0.064 nan 8.380 nan 0.000 0.503 410 L N 0.510 121.649 121.223 -0.139 0.000 2.436 410 L HA 0.265 4.604 4.340 -0.002 0.000 0.265 410 L C 0.035 176.865 176.870 -0.067 0.000 1.168 410 L CA -0.705 54.049 54.840 -0.144 0.000 0.815 410 L CB 1.072 42.953 42.059 -0.297 0.000 1.109 410 L HN -0.200 nan 8.230 nan 0.000 0.462 411 V N 3.589 123.493 119.914 -0.017 0.000 2.385 411 V HA 0.204 4.323 4.120 -0.002 0.000 0.269 411 V C 0.056 176.176 176.094 0.044 0.000 1.043 411 V CA -0.327 62.001 62.300 0.045 0.000 0.906 411 V CB 1.305 33.170 31.823 0.069 0.000 0.995 411 V HN 0.367 nan 8.190 nan 0.000 0.467 412 L N 7.405 128.631 121.223 0.004 0.000 2.343 412 L HA 0.788 5.127 4.340 -0.002 0.000 0.275 412 L C -0.644 176.253 176.870 0.046 0.000 1.056 412 L CA 0.047 54.819 54.840 -0.113 0.000 0.804 412 L CB 1.266 43.230 42.059 -0.157 0.000 1.203 412 L HN 0.584 nan 8.230 nan 0.000 0.440 413 F N 0.925 120.856 119.950 -0.032 0.000 2.601 413 F HA 0.683 5.209 4.527 -0.002 0.000 0.309 413 F C 0.819 176.640 175.800 0.036 0.000 1.089 413 F CA -0.592 57.416 58.000 0.012 0.000 0.940 413 F CB 1.118 40.088 39.000 -0.049 0.000 1.273 413 F HN 0.444 nan 8.300 nan 0.000 0.450 414 G N 0.144 109.090 108.800 0.244 0.000 2.421 414 G HA2 0.407 4.366 3.960 -0.002 0.000 0.217 414 G HA3 0.407 4.366 3.960 -0.002 0.000 0.217 414 G C 0.380 175.378 174.900 0.164 0.000 1.143 414 G CA 0.489 45.677 45.100 0.147 0.000 0.784 414 G HN 1.354 nan 8.290 nan 0.000 0.541 415 G N -0.854 108.100 108.800 0.257 0.000 2.320 415 G HA2 0.463 4.422 3.960 -0.002 0.000 0.296 415 G HA3 0.463 4.422 3.960 -0.002 0.000 0.296 415 G C -1.663 173.200 174.900 -0.062 0.000 1.306 415 G CA -0.121 45.101 45.100 0.203 0.000 0.836 415 G HN 0.760 nan 8.290 nan 0.000 0.517 416 N N -2.942 115.537 118.700 -0.369 0.000 3.344 416 N HA 0.321 5.060 4.740 -0.002 0.000 0.296 416 N C 0.826 175.735 175.510 -1.003 0.000 1.571 416 N CA -0.108 52.442 53.050 -0.833 0.000 0.844 416 N CB 0.267 38.419 38.487 -0.560 0.000 1.718 416 N HN 0.703 nan 8.380 nan 0.000 0.589 417 H N -1.858 116.626 119.070 -0.976 0.000 2.545 417 H HA 0.124 4.679 4.556 -0.001 0.000 0.282 417 H C -0.596 174.741 175.328 0.014 0.000 1.020 417 H CA 0.958 56.777 56.048 -0.381 0.000 1.243 417 H CB -0.169 29.507 29.762 -0.144 0.000 1.377 417 H HN 0.521 nan 8.280 nan 0.000 0.581 418 D N 0.681 120.788 120.400 -0.489 0.000 2.360 418 D HA 0.112 4.751 4.640 -0.002 0.000 0.210 418 D C 1.197 177.486 176.300 -0.019 0.000 1.047 418 D CA 0.274 54.186 54.000 -0.145 0.000 0.854 418 D CB 0.669 41.433 40.800 -0.060 0.000 0.936 418 D HN 0.565 nan 8.370 nan 0.000 0.514 419 M N -1.473 117.900 119.600 -0.378 0.000 2.631 419 M HA 0.707 5.186 4.480 -0.002 0.000 0.288 419 M C -0.788 174.901 176.300 -1.018 0.000 1.260 419 M CA -1.207 53.761 55.300 -0.553 0.000 0.842 419 M CB 2.184 34.725 32.600 -0.097 0.000 1.743 419 M HN -0.257 nan 8.290 nan 0.000 0.461 420 A N 1.983 124.350 122.820 -0.756 0.000 2.587 420 A HA 0.205 4.524 4.320 -0.002 0.000 0.233 420 A C 0.281 177.815 177.584 -0.084 0.000 1.049 420 A CA -0.022 51.806 52.037 -0.349 0.000 0.754 420 A CB 0.039 19.015 19.000 -0.040 0.000 0.977 420 A HN 0.777 nan 8.150 nan 0.000 0.509 421 R N 2.123 122.690 120.500 0.111 0.000 2.583 421 R HA -0.071 4.268 4.340 -0.002 0.000 0.274 421 R C 1.510 177.932 176.300 0.203 0.000 0.998 421 R CA 0.376 56.601 56.100 0.207 0.000 1.081 421 R CB -0.107 30.349 30.300 0.261 0.000 0.940 421 R HN 1.001 nan 8.270 nan 0.000 0.413 422 M N 2.773 122.524 119.600 0.251 0.000 2.089 422 M HA -0.272 4.207 4.480 -0.002 0.000 0.257 422 M C 1.581 178.134 176.300 0.421 0.000 1.071 422 M CA 2.049 57.531 55.300 0.303 0.000 1.096 422 M CB -0.188 32.616 32.600 0.340 0.000 1.330 422 M HN 0.576 nan 8.290 nan 0.000 0.403 423 F N 0.465 120.587 119.950 0.286 0.000 2.186 423 F HA -0.124 4.402 4.527 -0.002 0.000 0.299 423 F C 2.291 178.182 175.800 0.152 0.000 1.090 423 F CA 1.818 59.945 58.000 0.211 0.000 1.307 423 F CB -0.609 38.393 39.000 0.004 0.000 1.019 423 F HN 0.144 nan 8.300 nan 0.000 0.489 424 S N 0.191 115.915 115.700 0.041 0.000 2.406 424 S HA -0.046 4.423 4.470 -0.002 0.000 0.228 424 S C 2.287 176.866 174.600 -0.034 0.000 1.020 424 S CA 0.823 58.981 58.200 -0.069 0.000 0.965 424 S CB -0.670 62.562 63.200 0.055 0.000 0.798 424 S HN 0.478 nan 8.310 nan 0.000 0.488 425 A N 1.139 123.986 122.820 0.045 0.000 2.015 425 A HA 0.228 4.547 4.320 -0.002 0.000 0.219 425 A C 2.042 179.644 177.584 0.031 0.000 1.163 425 A CA 1.369 53.434 52.037 0.046 0.000 0.646 425 A CB -0.573 18.470 19.000 0.072 0.000 0.806 425 A HN 0.486 nan 8.150 nan 0.000 0.448 426 A N -1.599 121.242 122.820 0.036 0.000 2.251 426 A HA 0.431 4.750 4.320 -0.002 0.000 0.209 426 A C 1.603 179.161 177.584 -0.044 0.000 1.187 426 A CA 1.011 53.070 52.037 0.037 0.000 0.823 426 A CB -0.934 18.161 19.000 0.158 0.000 0.846 426 A HN 1.836 nan 8.150 nan 0.000 0.486 427 G N -0.465 108.269 108.800 -0.109 0.000 2.160 427 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.244 427 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.244 427 G C -0.003 174.755 174.900 -0.235 0.000 1.022 427 G CA 0.290 45.316 45.100 -0.123 0.000 0.741 427 G HN 0.754 nan 8.290 nan 0.000 0.508 428 E N -0.645 119.225 120.200 -0.550 0.000 2.360 428 E HA -0.202 4.147 4.350 -0.002 0.000 0.238 428 E C -0.193 176.142 176.600 -0.441 0.000 1.186 428 E CA 1.172 56.935 56.400 -1.062 0.000 0.719 428 E CB -0.656 28.712 29.700 -0.553 0.000 1.236 428 E HN 0.662 nan 8.360 nan 0.000 0.386 429 D N -0.434 119.866 120.400 -0.168 0.000 2.440 429 D HA 0.123 4.762 4.640 -0.002 0.000 0.239 429 D C 0.320 176.900 176.300 0.465 0.000 1.084 429 D CA -0.461 53.651 54.000 0.186 0.000 0.843 429 D CB 0.612 41.481 40.800 0.115 0.000 1.097 429 D HN -0.003 nan 8.370 nan 0.000 0.531 430 F N 3.801 124.005 119.950 0.423 0.000 2.134 430 F HA -0.188 4.338 4.527 -0.002 0.000 0.299 430 F C 1.656 177.703 175.800 0.412 0.000 1.097 430 F CA 1.500 59.750 58.000 0.418 0.000 1.264 430 F CB 0.354 39.481 39.000 0.211 0.000 1.001 430 F HN 0.376 nan 8.300 nan 0.000 0.479 431 D N -0.139 120.478 120.400 0.362 0.000 2.144 431 D HA -0.135 4.504 4.640 -0.002 0.000 0.199 431 D C 2.403 178.792 176.300 0.148 0.000 0.984 431 D CA 1.053 55.184 54.000 0.219 0.000 0.834 431 D CB -0.281 40.643 40.800 0.206 0.000 0.955 431 D HN 0.375 nan 8.370 nan 0.000 0.465 432 R N -0.413 120.196 120.500 0.181 0.000 2.073 432 R HA -0.099 4.240 4.340 -0.002 0.000 0.229 432 R C 2.228 178.629 176.300 0.169 0.000 1.120 432 R CA 0.758 56.945 56.100 0.145 0.000 0.967 432 R CB -0.461 29.917 30.300 0.129 0.000 0.862 432 R HN 0.251 nan 8.270 nan 0.000 0.436 433 W N 2.371 123.710 121.300 0.063 0.000 2.321 433 W HA -0.242 4.417 4.660 -0.002 0.000 0.306 433 W C 2.308 178.818 176.519 -0.014 0.000 1.217 433 W CA 1.679 59.071 57.345 0.078 0.000 1.257 433 W CB -0.154 29.417 29.460 0.186 0.000 1.145 433 W HN -0.056 nan 8.180 nan 0.000 0.509 434 R N -0.181 120.286 120.500 -0.054 0.000 2.083 434 R HA -0.217 4.121 4.340 -0.002 0.000 0.237 434 R C 2.330 178.534 176.300 -0.161 0.000 1.137 434 R CA 2.470 58.425 56.100 -0.241 0.000 0.951 434 R CB -0.592 29.627 30.300 -0.135 0.000 0.851 434 R HN 0.251 nan 8.270 nan 0.000 0.434 435 M N -0.072 119.505 119.600 -0.038 0.000 2.108 435 M HA -0.204 4.275 4.480 -0.002 0.000 0.261 435 M C 2.155 178.489 176.300 0.058 0.000 1.066 435 M CA 2.025 57.347 55.300 0.036 0.000 1.107 435 M CB -0.586 32.055 32.600 0.068 0.000 1.356 435 M HN 0.352 nan 8.290 nan 0.000 0.406 436 N N 0.504 119.194 118.700 -0.016 0.000 2.069 436 N HA -0.195 4.544 4.740 -0.002 0.000 0.191 436 N C 1.716 177.238 175.510 0.020 0.000 1.031 436 N CA 0.880 53.936 53.050 0.011 0.000 0.852 436 N CB 0.075 38.539 38.487 -0.038 0.000 1.018 436 N HN 0.119 nan 8.380 nan 0.000 0.423 437 L N 0.827 121.909 121.223 -0.236 0.000 2.017 437 L HA -0.109 4.230 4.340 -0.002 0.000 0.208 437 L C 2.072 178.927 176.870 -0.026 0.000 1.073 437 L CA 1.393 56.097 54.840 -0.227 0.000 0.745 437 L CB -0.647 41.040 42.059 -0.620 0.000 0.894 437 L HN 0.021 nan 8.230 nan 0.000 0.432 438 V N -0.478 119.433 119.914 -0.004 0.000 2.295 438 V HA -0.318 3.801 4.120 -0.002 0.000 0.246 438 V C 2.336 178.550 176.094 0.201 0.000 1.049 438 V CA 2.091 64.441 62.300 0.084 0.000 1.024 438 V CB -0.961 30.897 31.823 0.058 0.000 0.648 438 V HN 0.553 nan 8.190 nan 0.000 0.447 439 F N 0.687 120.706 119.950 0.116 0.000 2.065 439 F HA -0.268 4.258 4.527 -0.002 0.000 0.298 439 F C 2.121 177.986 175.800 0.107 0.000 1.112 439 F CA 2.190 60.292 58.000 0.171 0.000 1.212 439 F CB -0.484 38.615 39.000 0.165 0.000 0.975 439 F HN 0.139 nan 8.300 nan 0.000 0.476 440 L N 0.143 121.423 121.223 0.095 0.000 2.042 440 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 440 L C 2.006 178.866 176.870 -0.018 0.000 1.076 440 L CA 1.874 56.713 54.840 -0.002 0.000 0.749 440 L CB -0.662 41.491 42.059 0.156 0.000 0.893 440 L HN 0.204 nan 8.230 nan 0.000 0.432 441 M N -1.341 118.288 119.600 0.047 0.000 2.541 441 M HA 0.072 4.551 4.480 -0.002 0.000 0.252 441 M C 1.690 178.029 176.300 0.064 0.000 1.125 441 M CA 1.270 56.612 55.300 0.070 0.000 1.091 441 M CB -1.141 31.531 32.600 0.120 0.000 1.420 441 M HN 0.555 nan 8.290 nan 0.000 0.486 442 T N -3.971 110.613 114.554 0.051 0.000 2.985 442 T HA 0.271 4.620 4.350 -0.002 0.000 0.254 442 T C 0.906 175.605 174.700 -0.003 0.000 1.021 442 T CA -0.216 61.934 62.100 0.083 0.000 0.957 442 T CB 0.542 69.540 68.868 0.215 0.000 1.047 442 T HN -0.025 nan 8.240 nan 0.000 0.511 443 M N 3.338 122.828 119.600 -0.182 0.000 2.243 443 M HA 0.265 4.744 4.480 -0.002 0.000 0.341 443 M C -2.287 173.905 176.300 -0.181 0.000 1.130 443 M CA -2.343 52.775 55.300 -0.304 0.000 1.162 443 M CB 0.346 32.579 32.600 -0.611 0.000 1.497 443 M HN -0.049 nan 8.290 nan 0.000 0.456 444 P HA 0.146 nan 4.420 nan 0.000 0.241 444 P C -0.612 176.615 177.300 -0.121 0.000 1.760 444 P CA 0.319 63.349 63.100 -0.116 0.000 1.081 444 P CB 0.054 31.687 31.700 -0.111 0.000 1.975 445 R N 1.332 121.768 120.500 -0.107 0.000 2.752 445 R HA 0.496 4.835 4.340 -0.002 0.000 0.271 445 R C -0.120 176.154 176.300 -0.042 0.000 1.026 445 R CA -1.159 54.883 56.100 -0.097 0.000 0.901 445 R CB 1.222 31.441 30.300 -0.136 0.000 1.243 445 R HN 0.202 nan 8.270 nan 0.000 0.463 446 I N 4.186 124.751 120.570 -0.007 0.000 2.322 446 I HA 0.190 4.358 4.170 -0.002 0.000 0.292 446 I C -1.861 174.301 176.117 0.076 0.000 1.060 446 I CA -1.701 59.632 61.300 0.055 0.000 1.309 446 I CB 1.149 39.230 38.000 0.135 0.000 1.415 446 I HN 0.045 nan 8.210 nan 0.000 0.492 447 P HA 0.108 nan 4.420 nan 0.000 0.285 447 P C -1.182 176.265 177.300 0.246 0.000 1.259 447 P CA -0.392 62.798 63.100 0.151 0.000 0.794 447 P CB 1.362 33.147 31.700 0.142 0.000 0.940 448 Q N 3.532 123.513 119.800 0.301 0.000 2.337 448 Q HA 0.446 4.785 4.340 -0.002 0.000 0.270 448 Q C -2.193 174.064 176.000 0.428 0.000 1.043 448 Q CA -0.751 55.257 55.803 0.342 0.000 0.794 448 Q CB 1.765 30.680 28.738 0.296 0.000 1.281 448 Q HN 0.421 nan 8.270 nan 0.000 0.446 449 F N 3.504 123.567 119.950 0.188 0.000 2.520 449 F HA 0.398 4.923 4.527 -0.002 0.000 0.322 449 F C -1.418 174.367 175.800 -0.026 0.000 1.103 449 F CA -0.814 57.281 58.000 0.158 0.000 0.926 449 F CB 1.297 40.446 39.000 0.249 0.000 1.154 449 F HN 0.557 nan 8.300 nan 0.000 0.453 450 Y N 4.527 124.512 120.300 -0.525 0.000 2.313 450 Y HA 0.326 4.875 4.550 -0.002 0.000 0.332 450 Y C 0.198 175.834 175.900 -0.440 0.000 1.071 450 Y CA -0.841 56.976 58.100 -0.471 0.000 1.169 450 Y CB 1.085 39.358 38.460 -0.312 0.000 1.192 450 Y HN 0.535 nan 8.280 nan 0.000 0.487 451 S N 3.986 119.184 115.700 -0.837 0.000 2.546 451 S HA 0.375 4.844 4.470 -0.002 0.000 0.290 451 S C 1.062 175.499 174.600 -0.271 0.000 1.290 451 S CA 1.181 59.016 58.200 -0.609 0.000 1.069 451 S CB -0.508 62.251 63.200 -0.735 0.000 0.846 451 S HN 1.468 nan 8.310 nan 0.000 0.495 452 G N 4.727 113.717 108.800 0.317 0.000 2.259 452 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.217 452 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.217 452 G C 0.516 175.522 174.900 0.177 0.000 1.001 452 G CA 0.374 45.627 45.100 0.254 0.000 0.627 452 G HN 0.659 nan 8.290 nan 0.000 0.501 453 D N 1.417 121.911 120.400 0.156 0.000 2.310 453 D HA 0.009 4.648 4.640 -0.002 0.000 0.212 453 D C 2.437 179.097 176.300 0.600 0.000 0.965 453 D CA 1.244 55.390 54.000 0.243 0.000 0.879 453 D CB -0.085 40.656 40.800 -0.099 0.000 0.921 453 D HN 0.749 nan 8.370 nan 0.000 0.510 454 E N 1.137 121.814 120.200 0.795 0.000 2.347 454 E HA -0.133 4.216 4.350 -0.002 0.000 0.196 454 E C 1.660 178.448 176.600 0.312 0.000 1.008 454 E CA 0.534 57.361 56.400 0.711 0.000 0.852 454 E CB -0.363 29.741 29.700 0.673 0.000 0.783 454 E HN 0.467 nan 8.360 nan 0.000 0.505 455 I N -1.875 118.790 120.570 0.158 0.000 3.856 455 I HA 0.280 4.449 4.170 -0.002 0.000 0.330 455 I C 0.038 176.035 176.117 -0.200 0.000 1.546 455 I CA -0.757 60.511 61.300 -0.054 0.000 1.132 455 I CB 0.017 37.958 38.000 -0.099 0.000 1.157 455 I HN -0.187 nan 8.210 nan 0.000 0.440 456 L N 0.293 121.354 121.223 -0.271 0.000 3.601 456 L HA -0.195 4.144 4.340 -0.002 0.000 0.469 456 L C 0.165 176.948 176.870 -0.146 0.000 1.294 456 L CA 0.530 55.076 54.840 -0.491 0.000 0.829 456 L CB -1.699 39.639 42.059 -1.201 0.000 1.628 456 L HN 0.567 nan 8.230 nan 0.000 0.868 457 M N 0.355 119.957 119.600 0.002 0.000 2.248 457 M HA 0.217 4.696 4.480 -0.002 0.000 0.337 457 M C 1.058 177.469 176.300 0.184 0.000 1.121 457 M CA 0.854 56.192 55.300 0.064 0.000 1.155 457 M CB 0.870 33.496 32.600 0.045 0.000 1.514 457 M HN 0.411 nan 8.290 nan 0.000 0.452 458 T N -0.501 114.154 114.554 0.168 0.000 2.940 458 T HA 0.797 5.146 4.350 -0.002 0.000 0.288 458 T C -0.339 174.466 174.700 0.176 0.000 1.033 458 T CA -0.860 61.356 62.100 0.194 0.000 1.033 458 T CB 1.724 70.690 68.868 0.164 0.000 1.079 458 T HN 0.784 nan 8.240 nan 0.000 0.496 459 S N -0.022 115.790 115.700 0.187 0.000 2.625 459 S HA 0.696 5.165 4.470 -0.002 0.000 0.271 459 S C -0.179 174.529 174.600 0.179 0.000 1.161 459 S CA -0.789 57.540 58.200 0.215 0.000 0.820 459 S CB 0.876 64.314 63.200 0.396 0.000 1.137 459 S HN 1.232 nan 8.310 nan 0.000 0.470 460 T N -0.702 113.957 114.554 0.174 0.000 2.898 460 T HA 0.445 4.794 4.350 -0.002 0.000 0.301 460 T C 1.362 176.186 174.700 0.207 0.000 1.049 460 T CA -0.040 62.147 62.100 0.145 0.000 1.095 460 T CB 0.650 69.577 68.868 0.098 0.000 0.976 460 T HN 1.577 nan 8.240 nan 0.000 0.539 461 V N -1.403 118.593 119.914 0.137 0.000 3.644 461 V HA 0.336 4.455 4.120 -0.002 0.000 0.267 461 V C 0.491 176.655 176.094 0.116 0.000 1.277 461 V CA 0.259 62.632 62.300 0.122 0.000 1.096 461 V CB -1.331 30.535 31.823 0.071 0.000 0.828 461 V HN 1.082 nan 8.190 nan 0.000 0.446 462 K N -0.134 120.331 120.400 0.108 0.000 2.480 462 K HA 0.812 5.131 4.320 -0.002 0.000 0.258 462 K C 0.180 176.830 176.600 0.084 0.000 0.990 462 K CA -0.215 56.125 56.287 0.088 0.000 0.857 462 K CB 1.984 34.518 32.500 0.057 0.000 1.384 462 K HN 0.840 nan 8.250 nan 0.000 0.446 463 G N 0.811 109.650 108.800 0.065 0.000 2.782 463 G HA2 -0.243 3.715 3.960 -0.002 0.000 0.228 463 G HA3 -0.243 3.715 3.960 -0.002 0.000 0.228 463 G C -1.173 173.765 174.900 0.063 0.000 1.372 463 G CA -0.136 44.992 45.100 0.048 0.000 0.862 463 G HN 1.061 nan 8.290 nan 0.000 0.547 464 R N -0.205 120.313 120.500 0.030 0.000 2.255 464 R HA 0.712 5.051 4.340 -0.002 0.000 0.326 464 R C -0.989 175.289 176.300 -0.036 0.000 0.986 464 R CA -0.383 55.729 56.100 0.019 0.000 0.847 464 R CB 1.791 32.087 30.300 -0.006 0.000 1.111 464 R HN 0.441 nan 8.270 nan 0.000 0.452 465 D N 2.455 122.775 120.400 -0.132 0.000 3.285 465 D HA 0.109 4.748 4.640 -0.002 0.000 0.273 465 D C -0.446 175.432 176.300 -0.704 0.000 1.295 465 D CA -0.256 53.577 54.000 -0.279 0.000 0.762 465 D CB 0.561 41.243 40.800 -0.196 0.000 1.379 465 D HN 0.565 nan 8.370 nan 0.000 0.612 466 D N 0.259 120.389 120.400 -0.450 0.000 2.182 466 D HA -0.112 4.527 4.640 -0.002 0.000 0.201 466 D C 2.033 178.184 176.300 -0.247 0.000 0.986 466 D CA 1.163 54.937 54.000 -0.377 0.000 0.847 466 D CB 0.121 40.911 40.800 -0.016 0.000 0.942 466 D HN 0.474 nan 8.370 nan 0.000 0.467 467 A N 0.793 123.518 122.820 -0.158 0.000 1.940 467 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 467 A C 2.310 179.839 177.584 -0.092 0.000 1.176 467 A CA 2.333 54.324 52.037 -0.077 0.000 0.631 467 A CB -0.652 18.309 19.000 -0.064 0.000 0.814 467 A HN 0.344 nan 8.150 nan 0.000 0.446 468 S N -1.282 114.297 115.700 -0.202 0.000 2.428 468 S HA -0.118 4.351 4.470 -0.002 0.000 0.230 468 S C 1.634 176.288 174.600 0.089 0.000 1.014 468 S CA 1.139 59.289 58.200 -0.083 0.000 0.957 468 S CB -0.710 62.441 63.200 -0.082 0.000 0.784 468 S HN 0.570 nan 8.310 nan 0.000 0.499 469 Y N 1.715 122.106 120.300 0.151 0.000 2.561 469 Y HA 0.354 4.903 4.550 -0.002 0.000 0.291 469 Y C 1.631 177.715 175.900 0.307 0.000 1.141 469 Y CA -0.351 57.880 58.100 0.217 0.000 1.303 469 Y CB -0.445 38.123 38.460 0.179 0.000 1.015 469 Y HN 0.287 nan 8.280 nan 0.000 0.547 470 R N 0.130 120.827 120.500 0.329 0.000 2.776 470 R HA 0.251 4.589 4.340 -0.002 0.000 0.391 470 R C 0.029 176.419 176.300 0.151 0.000 1.116 470 R CA -0.302 55.985 56.100 0.311 0.000 1.056 470 R CB 0.623 31.133 30.300 0.351 0.000 1.369 470 R HN 0.033 nan 8.270 nan 0.000 0.590 471 R N 0.922 121.499 120.500 0.129 0.000 2.679 471 R HA 0.066 4.405 4.340 -0.002 0.000 0.269 471 R C -0.377 175.973 176.300 0.083 0.000 1.076 471 R CA -0.368 55.772 56.100 0.067 0.000 1.160 471 R CB 0.551 30.879 30.300 0.047 0.000 1.054 471 R HN 0.062 nan 8.270 nan 0.000 0.507 472 D N 1.467 121.883 120.400 0.027 0.000 2.455 472 D HA -0.075 4.564 4.640 -0.002 0.000 0.241 472 D C -0.479 175.906 176.300 0.140 0.000 1.138 472 D CA 0.407 54.428 54.000 0.034 0.000 0.877 472 D CB 0.197 40.778 40.800 -0.366 0.000 1.187 472 D HN 0.213 nan 8.370 nan 0.000 0.451 473 F N 3.566 123.624 119.950 0.179 0.000 2.502 473 F HA 0.219 4.744 4.527 -0.003 0.000 0.371 473 F C -1.924 173.861 175.800 -0.025 0.000 1.083 473 F CA -2.125 55.909 58.000 0.057 0.000 1.174 473 F CB 0.568 39.619 39.000 0.084 0.000 1.096 473 F HN 0.155 nan 8.300 nan 0.000 0.545 474 P HA 0.178 nan 4.420 nan 0.000 0.262 474 P C 0.389 177.453 177.300 -0.393 0.000 1.199 474 P CA 1.168 64.040 63.100 -0.379 0.000 0.763 474 P CB 0.498 31.928 31.700 -0.449 0.000 0.790 475 G N 2.932 111.686 108.800 -0.076 0.000 2.195 475 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.224 475 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.224 475 G C 1.202 176.274 174.900 0.286 0.000 0.990 475 G CA 0.065 45.204 45.100 0.064 0.000 0.639 475 G HN 0.674 nan 8.290 nan 0.000 0.514 476 G N -0.965 108.030 108.800 0.325 0.000 2.448 476 G HA2 0.169 4.128 3.960 -0.002 0.000 0.218 476 G HA3 0.169 4.128 3.960 -0.002 0.000 0.218 476 G C 0.707 175.614 174.900 0.013 0.000 1.135 476 G CA 0.682 45.908 45.100 0.210 0.000 0.784 476 G HN 0.421 nan 8.290 nan 0.000 0.543 477 W N -0.054 121.280 121.300 0.056 0.000 2.627 477 W HA 0.660 5.320 4.660 -0.000 0.000 0.339 477 W C -0.092 176.449 176.519 0.036 0.000 1.058 477 W CA -1.633 55.739 57.345 0.044 0.000 1.223 477 W CB 1.640 31.117 29.460 0.028 0.000 1.389 477 W HN 0.091 nan 8.180 nan 0.000 0.541 478 A N 1.309 124.246 122.820 0.195 0.000 2.524 478 A HA 0.432 4.751 4.320 -0.002 0.000 0.250 478 A C 0.982 178.647 177.584 0.133 0.000 1.078 478 A CA 1.292 53.405 52.037 0.127 0.000 0.761 478 A CB -0.431 18.618 19.000 0.081 0.000 1.012 478 A HN 1.430 nan 8.150 nan 0.000 0.500 479 G N 2.393 111.249 108.800 0.095 0.000 2.132 479 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.234 479 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.234 479 G C -0.217 174.718 174.900 0.059 0.000 0.989 479 G CA 0.140 45.280 45.100 0.066 0.000 0.676 479 G HN 0.836 nan 8.290 nan 0.000 0.522 480 D N 0.423 120.872 120.400 0.080 0.000 2.425 480 D HA 0.322 4.961 4.640 -0.002 0.000 0.247 480 D C 1.706 178.013 176.300 0.012 0.000 1.147 480 D CA -0.049 53.981 54.000 0.050 0.000 0.879 480 D CB 0.837 41.684 40.800 0.079 0.000 1.179 480 D HN 0.404 nan 8.370 nan 0.000 0.456 481 K N 1.593 121.985 120.400 -0.013 0.000 1.969 481 K HA -0.068 4.251 4.320 -0.002 0.000 0.216 481 K C 0.809 177.387 176.600 -0.036 0.000 1.048 481 K CA 0.866 57.138 56.287 -0.024 0.000 0.948 481 K CB -0.098 32.382 32.500 -0.035 0.000 0.726 481 K HN 0.428 nan 8.250 nan 0.000 0.442 482 A N 2.039 124.822 122.820 -0.062 0.000 2.354 482 A HA 0.161 4.480 4.320 -0.002 0.000 0.269 482 A C -0.296 177.222 177.584 -0.110 0.000 1.109 482 A CA -0.367 51.614 52.037 -0.093 0.000 0.800 482 A CB 0.256 19.179 19.000 -0.128 0.000 1.045 482 A HN 0.329 nan 8.150 nan 0.000 0.489 483 N N 1.750 120.380 118.700 -0.116 0.000 2.576 483 N HA 0.372 5.111 4.740 -0.002 0.000 0.269 483 N C 0.355 175.750 175.510 -0.191 0.000 1.058 483 N CA 0.271 53.249 53.050 -0.120 0.000 0.860 483 N CB 1.756 40.238 38.487 -0.009 0.000 1.249 483 N HN 0.589 nan 8.380 nan 0.000 0.525 484 A N 3.236 125.802 122.820 -0.423 0.000 2.119 484 A HA 0.088 4.407 4.320 -0.002 0.000 0.216 484 A C 1.278 178.646 177.584 -0.360 0.000 1.152 484 A CA 0.643 52.405 52.037 -0.458 0.000 0.708 484 A CB -0.385 18.114 19.000 -0.834 0.000 0.805 484 A HN 0.642 nan 8.150 nan 0.000 0.460 485 F N 0.740 120.578 119.950 -0.187 0.000 2.128 485 F HA -0.141 4.386 4.527 0.000 0.000 0.295 485 F C 2.870 178.675 175.800 0.008 0.000 1.100 485 F CA 1.453 59.334 58.000 -0.199 0.000 1.260 485 F CB -0.043 38.846 39.000 -0.184 0.000 1.009 485 F HN 0.336 nan 8.300 nan 0.000 0.476 486 S N -1.090 114.723 115.700 0.189 0.000 2.486 486 S HA 0.359 4.828 4.470 -0.002 0.000 0.220 486 S C 1.705 176.359 174.600 0.091 0.000 1.011 486 S CA 0.476 58.760 58.200 0.140 0.000 0.921 486 S CB 0.483 63.750 63.200 0.113 0.000 0.785 486 S HN 0.558 nan 8.310 nan 0.000 0.517 487 G N 0.907 109.738 108.800 0.051 0.000 2.176 487 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.232 487 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.232 487 G C 0.195 175.094 174.900 -0.002 0.000 0.986 487 G CA -0.177 44.938 45.100 0.025 0.000 0.643 487 G HN 1.233 nan 8.290 nan 0.000 0.522 488 A N 0.009 122.829 122.820 -0.001 0.000 2.450 488 A HA 0.693 5.012 4.320 -0.002 0.000 0.255 488 A C 1.960 179.524 177.584 -0.033 0.000 1.096 488 A CA 1.666 53.698 52.037 -0.009 0.000 0.778 488 A CB 0.188 19.192 19.000 0.006 0.000 1.031 488 A HN 2.311 nan 8.150 nan 0.000 0.494 489 G N 0.916 109.696 108.800 -0.034 0.000 2.179 489 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.260 489 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.260 489 G C 0.017 174.880 174.900 -0.062 0.000 0.977 489 G CA 0.409 45.481 45.100 -0.045 0.000 0.641 489 G HN 0.775 nan 8.290 nan 0.000 0.533 490 L N 2.103 123.286 121.223 -0.067 0.000 2.397 490 L HA 0.554 4.893 4.340 -0.002 0.000 0.271 490 L C 1.582 178.408 176.870 -0.073 0.000 1.148 490 L CA 0.669 55.461 54.840 -0.081 0.000 0.825 490 L CB 1.011 43.023 42.059 -0.079 0.000 1.117 490 L HN 0.427 nan 8.230 nan 0.000 0.456 491 T N -1.181 113.321 114.554 -0.087 0.000 2.868 491 T HA 0.120 4.469 4.350 -0.002 0.000 0.292 491 T C 1.343 175.982 174.700 -0.102 0.000 1.028 491 T CA 0.007 62.055 62.100 -0.087 0.000 1.059 491 T CB 0.990 69.803 68.868 -0.090 0.000 0.991 491 T HN 0.555 nan 8.240 nan 0.000 0.531 492 S N 0.331 115.971 115.700 -0.100 0.000 2.380 492 S HA -0.267 4.202 4.470 -0.002 0.000 0.229 492 S C 2.003 176.496 174.600 -0.177 0.000 1.043 492 S CA 2.101 60.232 58.200 -0.116 0.000 1.038 492 S CB -0.675 62.461 63.200 -0.108 0.000 0.872 492 S HN 0.852 nan 8.310 nan 0.000 0.456 493 Q N -0.151 119.515 119.800 -0.224 0.000 2.079 493 Q HA -0.149 4.190 4.340 -0.002 0.000 0.200 493 Q C 2.404 178.224 176.000 -0.299 0.000 0.974 493 Q CA 1.564 57.154 55.803 -0.355 0.000 0.840 493 Q CB -0.159 28.384 28.738 -0.324 0.000 0.898 493 Q HN 0.693 nan 8.270 nan 0.000 0.430 494 Q N -0.385 119.281 119.800 -0.223 0.000 2.084 494 Q HA -0.160 4.179 4.340 -0.002 0.000 0.202 494 Q C 2.189 178.132 176.000 -0.094 0.000 0.978 494 Q CA 1.050 56.741 55.803 -0.187 0.000 0.844 494 Q CB -0.051 28.589 28.738 -0.164 0.000 0.898 494 Q HN 0.290 nan 8.270 nan 0.000 0.426 495 R N 0.379 120.834 120.500 -0.075 0.000 2.080 495 R HA -0.116 4.223 4.340 -0.002 0.000 0.236 495 R C 2.245 178.555 176.300 0.016 0.000 1.137 495 R CA 1.385 57.474 56.100 -0.018 0.000 0.943 495 R CB -0.692 29.591 30.300 -0.029 0.000 0.846 495 R HN 0.241 nan 8.270 nan 0.000 0.431 496 A N 1.340 124.144 122.820 -0.027 0.000 1.972 496 A HA -0.060 4.259 4.320 -0.002 0.000 0.219 496 A C 2.410 180.139 177.584 0.241 0.000 1.169 496 A CA 1.692 53.752 52.037 0.039 0.000 0.635 496 A CB -0.459 18.469 19.000 -0.120 0.000 0.810 496 A HN 0.395 nan 8.150 nan 0.000 0.446 497 A N -0.868 122.089 122.820 0.228 0.000 1.898 497 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 497 A C 2.194 179.981 177.584 0.339 0.000 1.181 497 A CA 1.714 53.926 52.037 0.292 0.000 0.620 497 A CB -0.557 18.306 19.000 -0.229 0.000 0.819 497 A HN 0.639 nan 8.150 nan 0.000 0.442 498 Q N -0.439 119.487 119.800 0.209 0.000 2.084 498 Q HA -0.229 4.110 4.340 -0.002 0.000 0.202 498 Q C 1.309 177.427 176.000 0.196 0.000 0.978 498 Q CA 1.790 57.731 55.803 0.230 0.000 0.844 498 Q CB -0.172 28.683 28.738 0.194 0.000 0.898 498 Q HN 0.590 nan 8.270 nan 0.000 0.426 499 D N 0.458 120.954 120.400 0.161 0.000 2.123 499 D HA -0.184 4.454 4.640 -0.002 0.000 0.196 499 D C 1.807 178.183 176.300 0.125 0.000 0.992 499 D CA 0.846 54.918 54.000 0.120 0.000 0.833 499 D CB -0.197 40.657 40.800 0.090 0.000 0.954 499 D HN 0.219 nan 8.370 nan 0.000 0.455 500 L N 0.349 121.690 121.223 0.196 0.000 2.072 500 L HA -0.097 4.242 4.340 -0.002 0.000 0.205 500 L C 2.247 179.195 176.870 0.130 0.000 1.079 500 L CA 1.106 56.052 54.840 0.178 0.000 0.752 500 L CB -0.380 41.852 42.059 0.290 0.000 0.906 500 L HN -0.122 nan 8.230 nan 0.000 0.436 501 V N 0.037 120.057 119.914 0.177 0.000 2.287 501 V HA -0.328 3.791 4.120 -0.002 0.000 0.248 501 V C 2.773 178.838 176.094 -0.048 0.000 1.053 501 V CA 2.229 64.547 62.300 0.030 0.000 1.027 501 V CB -0.774 31.074 31.823 0.042 0.000 0.646 501 V HN 0.516 nan 8.190 nan 0.000 0.447 502 R N 0.223 120.729 120.500 0.010 0.000 2.073 502 R HA -0.211 4.128 4.340 -0.002 0.000 0.234 502 R C 2.474 178.781 176.300 0.012 0.000 1.134 502 R CA 2.089 58.176 56.100 -0.022 0.000 0.952 502 R CB -0.297 30.015 30.300 0.020 0.000 0.850 502 R HN 0.485 nan 8.270 nan 0.000 0.433 503 K N 0.091 120.525 120.400 0.057 0.000 2.032 503 K HA -0.186 4.132 4.320 -0.002 0.000 0.209 503 K C 2.033 178.770 176.600 0.228 0.000 1.048 503 K CA 1.498 57.851 56.287 0.110 0.000 0.927 503 K CB -0.108 32.407 32.500 0.026 0.000 0.712 503 K HN 0.125 nan 8.250 nan 0.000 0.441 504 L N 0.596 121.920 121.223 0.169 0.000 2.072 504 L HA -0.006 4.333 4.340 -0.002 0.000 0.205 504 L C 2.294 179.287 176.870 0.204 0.000 1.079 504 L CA 1.792 56.779 54.840 0.244 0.000 0.752 504 L CB -0.627 41.506 42.059 0.122 0.000 0.906 504 L HN 0.251 nan 8.230 nan 0.000 0.436 505 A N -0.807 121.996 122.820 -0.028 0.000 1.898 505 A HA -0.176 4.143 4.320 -0.002 0.000 0.216 505 A C 2.107 179.609 177.584 -0.136 0.000 1.181 505 A CA 1.637 53.547 52.037 -0.212 0.000 0.620 505 A CB -0.586 18.033 19.000 -0.634 0.000 0.819 505 A HN 0.507 nan 8.150 nan 0.000 0.442 506 N N -1.484 117.181 118.700 -0.059 0.000 2.244 506 N HA -0.176 4.563 4.740 -0.002 0.000 0.183 506 N C 1.515 177.059 175.510 0.057 0.000 1.016 506 N CA 1.483 54.526 53.050 -0.013 0.000 0.866 506 N CB -0.388 38.111 38.487 0.020 0.000 0.980 506 N HN 0.802 nan 8.380 nan 0.000 0.430 507 W N 2.645 123.901 121.300 -0.073 0.000 2.381 507 W HA -0.010 4.649 4.660 -0.002 0.000 0.301 507 W C 2.416 178.824 176.519 -0.185 0.000 1.205 507 W CA 1.051 58.301 57.345 -0.160 0.000 1.285 507 W CB -0.268 29.020 29.460 -0.286 0.000 1.133 507 W HN -0.100 nan 8.180 nan 0.000 0.521 508 R N 0.887 121.289 120.500 -0.164 0.000 2.120 508 R HA -0.160 4.179 4.340 -0.002 0.000 0.234 508 R C 2.163 178.354 176.300 -0.182 0.000 1.123 508 R CA 1.474 57.380 56.100 -0.324 0.000 0.975 508 R CB -0.301 29.948 30.300 -0.085 0.000 0.866 508 R HN 0.177 nan 8.270 nan 0.000 0.446 509 K N -0.015 120.319 120.400 -0.111 0.000 2.147 509 K HA -0.088 4.231 4.320 -0.002 0.000 0.205 509 K C 0.906 177.482 176.600 -0.039 0.000 1.049 509 K CA 1.032 57.300 56.287 -0.032 0.000 0.936 509 K CB -0.033 32.430 32.500 -0.063 0.000 0.722 509 K HN 0.224 nan 8.250 nan 0.000 0.446 510 N N 1.174 119.753 118.700 -0.201 0.000 2.295 510 N HA -0.005 4.734 4.740 -0.002 0.000 0.221 510 N C -0.503 174.758 175.510 -0.414 0.000 1.129 510 N CA 0.363 53.272 53.050 -0.234 0.000 0.836 510 N CB 0.754 39.129 38.487 -0.187 0.000 1.040 510 N HN 0.094 nan 8.380 nan 0.000 0.494 511 Q N 0.602 120.038 119.800 -0.607 0.000 2.644 511 Q HA 0.269 4.608 4.340 -0.002 0.000 0.245 511 Q C -1.761 173.628 176.000 -1.017 0.000 1.064 511 Q CA -1.709 53.630 55.803 -0.774 0.000 0.860 511 Q CB 1.676 29.814 28.738 -1.000 0.000 1.145 511 Q HN 0.137 nan 8.270 nan 0.000 0.515 512 P HA -0.122 nan 4.420 nan 0.000 0.225 512 P C 1.249 178.320 177.300 -0.381 0.000 1.148 512 P CA 0.506 63.312 63.100 -0.489 0.000 0.779 512 P CB 0.531 32.125 31.700 -0.177 0.000 0.780 513 V N -0.150 119.545 119.914 -0.365 0.000 2.548 513 V HA -0.157 3.962 4.120 -0.002 0.000 0.249 513 V C 2.275 178.223 176.094 -0.244 0.000 1.055 513 V CA 1.260 63.414 62.300 -0.243 0.000 1.065 513 V CB -0.816 30.901 31.823 -0.176 0.000 0.681 513 V HN -0.065 nan 8.190 nan 0.000 0.462 514 I N -0.443 119.910 120.570 -0.362 0.000 2.406 514 I HA -0.163 4.006 4.170 -0.002 0.000 0.249 514 I C 2.259 178.302 176.117 -0.123 0.000 1.122 514 I CA 1.561 62.711 61.300 -0.250 0.000 1.431 514 I CB -0.443 37.378 38.000 -0.298 0.000 1.087 514 I HN 0.457 nan 8.210 nan 0.000 0.424 515 H N 0.825 119.807 119.070 -0.146 0.000 2.261 515 H HA -0.055 4.500 4.556 -0.002 0.000 0.301 515 H C 1.412 176.676 175.328 -0.107 0.000 1.067 515 H CA 1.795 57.773 56.048 -0.118 0.000 1.297 515 H CB -0.096 29.598 29.762 -0.113 0.000 1.377 515 H HN 0.372 nan 8.280 nan 0.000 0.492 516 N N 0.180 118.886 118.700 0.010 0.000 2.250 516 N HA 0.097 4.836 4.740 -0.002 0.000 0.190 516 N C 0.910 176.365 175.510 -0.092 0.000 1.116 516 N CA 0.228 53.255 53.050 -0.038 0.000 0.881 516 N CB 0.849 39.319 38.487 -0.029 0.000 1.006 516 N HN 0.193 nan 8.380 nan 0.000 0.491 517 G N 0.640 109.365 108.800 -0.125 0.000 2.683 517 G HA2 0.230 4.189 3.960 -0.002 0.000 0.260 517 G HA3 0.230 4.189 3.960 -0.002 0.000 0.260 517 G C -0.024 174.735 174.900 -0.234 0.000 1.238 517 G CA -0.468 44.522 45.100 -0.183 0.000 0.934 517 G HN 0.073 nan 8.290 nan 0.000 0.534 518 R N -1.529 118.719 120.500 -0.420 0.000 2.553 518 R HA 0.570 4.909 4.340 -0.002 0.000 0.263 518 R C -0.937 175.148 176.300 -0.358 0.000 1.066 518 R CA -0.725 55.074 56.100 -0.501 0.000 1.135 518 R CB 1.257 31.035 30.300 -0.871 0.000 1.148 518 R HN 0.326 nan 8.270 nan 0.000 0.558 519 L N 1.080 122.216 121.223 -0.146 0.000 2.385 519 L HA 0.500 4.839 4.340 -0.002 0.000 0.273 519 L C -1.191 175.805 176.870 0.210 0.000 0.990 519 L CA -0.315 54.568 54.840 0.072 0.000 0.821 519 L CB 1.898 43.940 42.059 -0.029 0.000 1.279 519 L HN 0.626 nan 8.230 nan 0.000 0.412 520 M N 5.854 125.685 119.600 0.385 0.000 2.093 520 M HA 0.453 4.932 4.480 -0.002 0.000 0.297 520 M C -1.288 175.196 176.300 0.305 0.000 0.938 520 M CA -0.374 55.071 55.300 0.242 0.000 0.920 520 M CB 0.765 33.440 32.600 0.125 0.000 1.517 520 M HN 0.914 nan 8.290 nan 0.000 0.427 521 H N 2.038 121.225 119.070 0.195 0.000 2.615 521 H HA 0.697 5.252 4.556 -0.002 0.000 0.346 521 H C -1.729 173.707 175.328 0.180 0.000 1.200 521 H CA -1.016 55.223 56.048 0.318 0.000 1.264 521 H CB 1.405 31.464 29.762 0.495 0.000 1.699 521 H HN 0.539 nan 8.280 nan 0.000 0.567 522 F N -0.272 119.978 119.950 0.500 0.000 2.546 522 F HA 0.362 4.887 4.527 -0.002 0.000 0.320 522 F C 0.883 176.677 175.800 -0.009 0.000 1.076 522 F CA -0.773 57.420 58.000 0.322 0.000 0.928 522 F CB 2.012 41.264 39.000 0.420 0.000 1.189 522 F HN 0.841 nan 8.300 nan 0.000 0.465 523 G N 2.688 111.327 108.800 -0.268 0.000 2.272 523 G HA2 0.314 4.273 3.960 -0.002 0.000 0.247 523 G HA3 0.314 4.273 3.960 -0.002 0.000 0.247 523 G C -2.762 171.994 174.900 -0.239 0.000 1.272 523 G CA -0.846 43.715 45.100 -0.898 0.000 0.921 523 G HN 0.250 nan 8.290 nan 0.000 0.495 524 P HA 0.143 nan 4.420 nan 0.000 0.268 524 P C -0.353 176.935 177.300 -0.019 0.000 1.204 524 P CA 0.334 63.414 63.100 -0.034 0.000 0.768 524 P CB 0.839 32.406 31.700 -0.221 0.000 0.842 525 E N 1.833 122.067 120.200 0.057 0.000 2.241 525 E HA 0.155 4.504 4.350 -0.002 0.000 0.263 525 E C -0.664 175.964 176.600 0.047 0.000 0.882 525 E CA -0.615 55.810 56.400 0.041 0.000 0.769 525 E CB 1.151 30.884 29.700 0.056 0.000 1.185 525 E HN 0.396 nan 8.360 nan 0.000 0.415 526 E N 2.454 122.670 120.200 0.027 0.000 2.252 526 E HA -0.289 4.059 4.350 -0.002 0.000 0.218 526 E C -0.285 176.335 176.600 0.032 0.000 1.253 526 E CA 0.067 56.483 56.400 0.026 0.000 0.705 526 E CB -1.022 28.696 29.700 0.030 0.000 1.172 526 E HN 0.621 nan 8.360 nan 0.000 0.369 527 N N -0.399 118.313 118.700 0.020 0.000 2.696 527 N HA -0.191 4.548 4.740 -0.002 0.000 0.249 527 N C -0.621 174.927 175.510 0.064 0.000 1.090 527 N CA 1.924 54.987 53.050 0.021 0.000 0.716 527 N CB -0.773 37.722 38.487 0.013 0.000 1.020 527 N HN 0.630 nan 8.380 nan 0.000 0.548 528 T N -3.448 111.163 114.554 0.096 0.000 2.888 528 T HA 0.609 4.958 4.350 -0.002 0.000 0.284 528 T C -0.641 174.222 174.700 0.270 0.000 1.017 528 T CA -0.717 61.474 62.100 0.151 0.000 1.022 528 T CB 2.283 71.224 68.868 0.122 0.000 1.013 528 T HN 0.270 nan 8.240 nan 0.000 0.465 529 W N 2.261 123.587 121.300 0.043 0.000 3.129 529 W HA 0.645 5.304 4.660 -0.002 0.000 0.333 529 W C -2.226 174.323 176.519 0.050 0.000 1.141 529 W CA -1.325 56.071 57.345 0.084 0.000 1.224 529 W CB 1.780 31.322 29.460 0.136 0.000 1.393 529 W HN 0.702 nan 8.180 nan 0.000 0.499 530 V N 7.622 127.465 119.914 -0.118 0.000 2.525 530 V HA 0.476 4.595 4.120 -0.002 0.000 0.299 530 V C -1.073 174.892 176.094 -0.215 0.000 1.034 530 V CA -0.801 61.252 62.300 -0.411 0.000 0.863 530 V CB 1.002 32.334 31.823 -0.818 0.000 0.999 530 V HN 0.356 nan 8.190 nan 0.000 0.423 531 Y N 2.852 122.873 120.300 -0.466 0.000 2.609 531 Y HA 0.908 5.457 4.550 -0.002 0.000 0.342 531 Y C -1.788 173.965 175.900 -0.246 0.000 1.058 531 Y CA -1.971 56.032 58.100 -0.162 0.000 1.055 531 Y CB 1.735 39.993 38.460 -0.336 0.000 1.292 531 Y HN 0.359 nan 8.280 nan 0.000 0.476 532 F N 1.662 121.743 119.950 0.219 0.000 2.556 532 F HA 0.642 5.168 4.527 -0.002 0.000 0.314 532 F C -0.427 175.537 175.800 0.274 0.000 1.106 532 F CA -1.037 57.062 58.000 0.165 0.000 0.911 532 F CB 1.971 41.072 39.000 0.168 0.000 1.190 532 F HN 0.334 nan 8.300 nan 0.000 0.448 533 R N 2.898 123.600 120.500 0.336 0.000 2.346 533 R HA 0.488 4.827 4.340 -0.002 0.000 0.311 533 R C -1.447 175.037 176.300 0.305 0.000 0.983 533 R CA -0.790 55.452 56.100 0.236 0.000 0.880 533 R CB 1.119 31.471 30.300 0.086 0.000 1.100 533 R HN 0.774 nan 8.270 nan 0.000 0.453 534 Y N 0.028 120.371 120.300 0.070 0.000 2.482 534 Y HA 0.541 5.090 4.550 -0.002 0.000 0.334 534 Y C -1.022 174.883 175.900 0.009 0.000 1.091 534 Y CA -1.386 56.744 58.100 0.050 0.000 1.027 534 Y CB 1.282 39.785 38.460 0.072 0.000 1.306 534 Y HN 0.639 nan 8.280 nan 0.000 0.446 535 N N 1.349 120.086 118.700 0.060 0.000 3.439 535 N HA 0.275 5.014 4.740 -0.002 0.000 0.343 535 N C -0.047 175.515 175.510 0.087 0.000 1.597 535 N CA -0.744 52.315 53.050 0.016 0.000 0.733 535 N CB 0.658 39.110 38.487 -0.057 0.000 1.973 535 N HN 0.737 nan 8.380 nan 0.000 0.646 536 K N -1.430 118.997 120.400 0.045 0.000 2.486 536 K HA 0.081 4.400 4.320 -0.002 0.000 0.194 536 K C -0.484 176.132 176.600 0.027 0.000 1.033 536 K CA 1.014 57.327 56.287 0.043 0.000 1.004 536 K CB -0.065 32.451 32.500 0.027 0.000 0.798 536 K HN 0.322 nan 8.250 nan 0.000 0.495 537 D N 0.574 120.982 120.400 0.013 0.000 2.324 537 D HA 0.078 4.717 4.640 -0.002 0.000 0.212 537 D C 0.020 176.324 176.300 0.006 0.000 0.984 537 D CA 0.711 54.711 54.000 -0.001 0.000 0.885 537 D CB 0.516 41.300 40.800 -0.027 0.000 0.996 537 D HN 0.147 nan 8.370 nan 0.000 0.505 538 K N -0.368 120.044 120.400 0.020 0.000 2.575 538 K HA 0.469 4.788 4.320 -0.002 0.000 0.279 538 K C -1.367 175.284 176.600 0.086 0.000 0.969 538 K CA -0.604 55.701 56.287 0.031 0.000 0.868 538 K CB 2.486 34.975 32.500 -0.019 0.000 1.457 538 K HN -0.252 nan 8.250 nan 0.000 0.426 539 R N 2.263 122.829 120.500 0.110 0.000 2.621 539 R HA 0.547 4.886 4.340 -0.002 0.000 0.292 539 R C -0.930 175.457 176.300 0.145 0.000 0.969 539 R CA -0.690 55.523 56.100 0.188 0.000 0.887 539 R CB 1.571 32.009 30.300 0.229 0.000 1.180 539 R HN 0.437 nan 8.270 nan 0.000 0.450 540 I N 3.496 124.149 120.570 0.139 0.000 2.420 540 I HA 0.279 4.448 4.170 -0.002 0.000 0.282 540 I C -0.311 175.700 176.117 -0.177 0.000 1.019 540 I CA -0.389 60.928 61.300 0.027 0.000 1.130 540 I CB 1.788 39.823 38.000 0.058 0.000 1.262 540 I HN 0.448 nan 8.210 nan 0.000 0.454 541 M N 7.605 126.991 119.600 -0.357 0.000 2.105 541 M HA 0.401 4.880 4.480 -0.002 0.000 0.350 541 M C -1.374 174.510 176.300 -0.693 0.000 1.308 541 M CA -0.314 54.453 55.300 -0.888 0.000 1.108 541 M CB 0.717 32.840 32.600 -0.796 0.000 1.622 541 M HN 0.275 nan 8.290 nan 0.000 0.468 542 V N 5.306 124.657 119.914 -0.938 0.000 2.347 542 V HA 0.727 4.846 4.120 -0.002 0.000 0.280 542 V C -0.125 175.476 176.094 -0.822 0.000 1.021 542 V CA -0.673 61.108 62.300 -0.864 0.000 0.847 542 V CB 0.970 32.086 31.823 -1.179 0.000 0.990 542 V HN 0.913 nan 8.190 nan 0.000 0.444 543 A N 7.310 129.836 122.820 -0.489 0.000 2.330 543 A HA 0.976 5.295 4.320 -0.002 0.000 0.313 543 A C -0.526 176.967 177.584 -0.153 0.000 1.124 543 A CA -0.657 51.176 52.037 -0.341 0.000 0.774 543 A CB 1.437 20.244 19.000 -0.323 0.000 1.198 543 A HN 0.981 nan 8.150 nan 0.000 0.465 544 M N 1.447 121.028 119.600 -0.031 0.000 2.457 544 M HA 0.660 5.139 4.480 -0.002 0.000 0.300 544 M C -1.189 175.167 176.300 0.093 0.000 1.141 544 M CA -0.780 54.554 55.300 0.057 0.000 0.901 544 M CB 2.192 34.873 32.600 0.136 0.000 1.687 544 M HN 0.478 nan 8.290 nan 0.000 0.449 545 N N 2.123 120.865 118.700 0.071 0.000 2.518 545 N HA 0.263 5.002 4.740 -0.002 0.000 0.254 545 N C -1.510 174.041 175.510 0.068 0.000 0.979 545 N CA -0.256 52.836 53.050 0.070 0.000 0.930 545 N CB 1.035 39.552 38.487 0.050 0.000 1.152 545 N HN 0.850 nan 8.380 nan 0.000 0.505 546 N N 3.393 122.135 118.700 0.070 0.000 3.052 546 N HA 0.191 4.929 4.740 -0.002 0.000 0.302 546 N C -1.386 174.150 175.510 0.044 0.000 1.332 546 N CA -0.108 52.975 53.050 0.055 0.000 1.129 546 N CB -0.412 38.102 38.487 0.045 0.000 1.436 546 N HN 0.475 nan 8.380 nan 0.000 0.536 547 N N -0.102 118.625 118.700 0.046 0.000 2.242 547 N HA 0.084 4.823 4.740 -0.002 0.000 0.292 547 N C -0.746 174.788 175.510 0.041 0.000 1.125 547 N CA -0.431 52.642 53.050 0.039 0.000 0.783 547 N CB 1.643 40.151 38.487 0.035 0.000 1.558 547 N HN 0.248 nan 8.380 nan 0.000 0.472 548 D N -0.444 119.979 120.400 0.038 0.000 2.323 548 D HA -0.022 4.617 4.640 -0.002 0.000 0.239 548 D C -0.074 176.247 176.300 0.034 0.000 1.129 548 D CA 0.395 54.418 54.000 0.039 0.000 0.865 548 D CB -0.020 40.803 40.800 0.038 0.000 0.913 548 D HN 0.483 nan 8.370 nan 0.000 0.517 549 K N -0.819 119.600 120.400 0.032 0.000 2.328 549 K HA 0.671 4.990 4.320 -0.002 0.000 0.246 549 K C -3.201 173.417 176.600 0.030 0.000 0.955 549 K CA -2.310 53.994 56.287 0.028 0.000 0.817 549 K CB 1.728 34.242 32.500 0.024 0.000 1.208 549 K HN -0.283 nan 8.250 nan 0.000 0.432 550 P HA 0.148 nan 4.420 nan 0.000 0.271 550 P C -0.861 176.455 177.300 0.027 0.000 1.218 550 P CA -0.235 62.881 63.100 0.026 0.000 0.780 550 P CB 0.496 32.209 31.700 0.022 0.000 0.901 551 M N 1.279 120.897 119.600 0.029 0.000 2.464 551 M HA 0.365 4.844 4.480 -0.002 0.000 0.308 551 M C -0.480 175.839 176.300 0.032 0.000 1.127 551 M CA -0.169 55.151 55.300 0.033 0.000 0.913 551 M CB 1.961 34.586 32.600 0.041 0.000 1.689 551 M HN 0.143 nan 8.290 nan 0.000 0.445 552 T N 3.964 118.538 114.554 0.033 0.000 2.809 552 T HA 0.716 5.065 4.350 -0.002 0.000 0.284 552 T C -0.448 174.278 174.700 0.044 0.000 0.992 552 T CA -0.499 61.621 62.100 0.034 0.000 0.957 552 T CB 1.017 69.899 68.868 0.023 0.000 0.942 552 T HN 0.459 nan 8.240 nan 0.000 0.439 553 L N 5.160 126.424 121.223 0.068 0.000 2.305 553 L HA 0.442 4.781 4.340 -0.002 0.000 0.284 553 L C -2.405 174.508 176.870 0.071 0.000 1.013 553 L CA -2.536 52.362 54.840 0.095 0.000 0.819 553 L CB 1.417 43.603 42.059 0.211 0.000 1.227 553 L HN 0.292 nan 8.230 nan 0.000 0.417 554 P HA -0.006 nan 4.420 nan 0.000 0.263 554 P C 0.816 178.042 177.300 -0.122 0.000 1.195 554 P CA 0.012 63.075 63.100 -0.061 0.000 0.762 554 P CB 0.658 32.296 31.700 -0.103 0.000 0.799 555 T N -0.168 114.369 114.554 -0.029 0.000 3.148 555 T HA 0.069 4.418 4.350 -0.002 0.000 0.253 555 T C 1.607 176.254 174.700 -0.088 0.000 1.134 555 T CA 0.603 62.729 62.100 0.043 0.000 1.051 555 T CB -0.465 68.477 68.868 0.123 0.000 0.959 555 T HN 0.264 nan 8.240 nan 0.000 0.525 556 A N 1.988 124.721 122.820 -0.145 0.000 2.019 556 A HA 0.011 4.330 4.320 -0.002 0.000 0.219 556 A C 2.482 179.932 177.584 -0.222 0.000 1.164 556 A CA 1.209 53.164 52.037 -0.135 0.000 0.644 556 A CB -0.721 18.217 19.000 -0.103 0.000 0.805 556 A HN 0.506 nan 8.150 nan 0.000 0.449 557 R N -1.292 118.931 120.500 -0.461 0.000 2.120 557 R HA -0.104 4.234 4.340 -0.002 0.000 0.234 557 R C 0.290 176.251 176.300 -0.565 0.000 1.123 557 R CA 1.443 57.176 56.100 -0.612 0.000 0.975 557 R CB -0.198 29.501 30.300 -1.001 0.000 0.866 557 R HN 0.522 nan 8.270 nan 0.000 0.446 558 F N 0.183 120.003 119.950 -0.216 0.000 2.668 558 F HA 0.256 4.782 4.527 -0.002 0.000 0.297 558 F C 1.552 177.297 175.800 -0.090 0.000 1.124 558 F CA -0.395 57.435 58.000 -0.284 0.000 1.353 558 F CB 0.315 39.070 39.000 -0.408 0.000 0.992 558 F HN -0.161 nan 8.300 nan 0.000 0.524 559 Q N 1.156 120.982 119.800 0.044 0.000 2.369 559 Q HA -0.151 4.187 4.340 -0.002 0.000 0.206 559 Q C 1.960 177.950 176.000 -0.016 0.000 0.963 559 Q CA 1.094 56.904 55.803 0.011 0.000 0.894 559 Q CB -0.252 28.481 28.738 -0.008 0.000 0.965 559 Q HN 0.695 nan 8.270 nan 0.000 0.475 560 E N -1.162 119.042 120.200 0.006 0.000 2.418 560 E HA -0.108 4.241 4.350 -0.002 0.000 0.197 560 E C 1.348 177.844 176.600 -0.175 0.000 1.026 560 E CA 0.572 56.941 56.400 -0.052 0.000 0.862 560 E CB 0.129 29.819 29.700 -0.017 0.000 0.799 560 E HN 0.128 nan 8.360 nan 0.000 0.518 561 M N -0.097 119.351 119.600 -0.253 0.000 2.800 561 M HA 0.109 4.588 4.480 -0.002 0.000 0.257 561 M C 1.884 177.953 176.300 -0.385 0.000 1.309 561 M CA 0.283 55.236 55.300 -0.578 0.000 1.202 561 M CB -0.401 31.368 32.600 -1.384 0.000 1.273 561 M HN 0.166 nan 8.290 nan 0.000 0.528 562 L N 1.257 122.360 121.223 -0.200 0.000 2.027 562 L HA -0.058 4.281 4.340 -0.002 0.000 0.206 562 L C 0.738 177.598 176.870 -0.017 0.000 1.074 562 L CA 1.327 56.157 54.840 -0.016 0.000 0.745 562 L CB -0.678 41.425 42.059 0.075 0.000 0.898 562 L HN 0.310 nan 8.230 nan 0.000 0.433 563 K N 0.397 120.776 120.400 -0.034 0.000 3.278 563 K HA -0.256 4.063 4.320 -0.002 0.000 0.270 563 K C 1.114 177.711 176.600 -0.004 0.000 0.955 563 K CA 0.762 57.034 56.287 -0.025 0.000 0.723 563 K CB -2.137 30.339 32.500 -0.040 0.000 1.382 563 K HN 0.656 nan 8.250 nan 0.000 0.461 564 G N -1.137 107.666 108.800 0.005 0.000 2.268 564 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.240 564 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.240 564 G C 0.341 175.252 174.900 0.019 0.000 1.010 564 G CA 0.465 45.571 45.100 0.010 0.000 0.618 564 G HN 1.183 nan 8.290 nan 0.000 0.516 565 A N 1.661 124.496 122.820 0.026 0.000 2.572 565 A HA 0.448 4.767 4.320 -0.002 0.000 0.256 565 A C 0.231 177.836 177.584 0.035 0.000 1.041 565 A CA 0.811 52.868 52.037 0.035 0.000 0.790 565 A CB 0.228 19.258 19.000 0.051 0.000 0.947 565 A HN 0.347 nan 8.150 nan 0.000 0.518 566 P HA -0.009 nan 4.420 nan 0.000 0.218 566 P C 0.307 177.622 177.300 0.025 0.000 1.152 566 P CA 1.446 64.560 63.100 0.024 0.000 0.826 566 P CB 0.070 31.781 31.700 0.018 0.000 0.790 567 S N -2.648 113.068 115.700 0.026 0.000 2.611 567 S HA 0.699 5.168 4.470 -0.002 0.000 0.268 567 S C -0.721 173.893 174.600 0.023 0.000 1.156 567 S CA -0.388 57.825 58.200 0.022 0.000 0.817 567 S CB 1.503 64.712 63.200 0.015 0.000 1.122 567 S HN 0.276 nan 8.310 nan 0.000 0.466 568 G N -0.087 108.722 108.800 0.016 0.000 2.706 568 G HA2 0.578 4.537 3.960 -0.002 0.000 0.297 568 G HA3 0.578 4.537 3.960 -0.002 0.000 0.297 568 G C -1.492 173.412 174.900 0.006 0.000 1.403 568 G CA -0.699 44.411 45.100 0.016 0.000 0.954 568 G HN 1.027 nan 8.290 nan 0.000 0.500 569 V N 1.681 121.604 119.914 0.015 0.000 2.432 569 V HA 0.191 4.310 4.120 -0.002 0.000 0.271 569 V C 0.235 176.333 176.094 0.007 0.000 1.046 569 V CA -0.497 61.810 62.300 0.012 0.000 0.945 569 V CB 1.177 33.017 31.823 0.028 0.000 0.992 569 V HN 0.780 nan 8.190 nan 0.000 0.471 570 D N 2.956 123.345 120.400 -0.018 0.000 2.425 570 D HA -0.001 4.638 4.640 -0.002 0.000 0.247 570 D C 0.532 176.814 176.300 -0.030 0.000 1.147 570 D CA -0.036 53.942 54.000 -0.037 0.000 0.879 570 D CB 0.717 41.481 40.800 -0.060 0.000 1.179 570 D HN 0.397 nan 8.370 nan 0.000 0.456 571 F N 3.684 123.503 119.950 -0.219 0.000 2.259 571 F HA 0.010 4.535 4.527 -0.002 0.000 0.298 571 F C 1.385 177.019 175.800 -0.276 0.000 1.088 571 F CA 0.944 58.757 58.000 -0.311 0.000 1.358 571 F CB 0.008 38.642 39.000 -0.610 0.000 1.040 571 F HN 0.426 nan 8.300 nan 0.000 0.505 572 L N -0.376 120.664 121.223 -0.306 0.000 1.982 572 L HA -0.166 4.173 4.340 -0.002 0.000 0.206 572 L C 2.763 179.484 176.870 -0.249 0.000 1.078 572 L CA 1.607 56.260 54.840 -0.311 0.000 0.749 572 L CB -1.188 40.780 42.059 -0.152 0.000 0.894 572 L HN 0.223 nan 8.230 nan 0.000 0.436 573 S N -0.922 114.688 115.700 -0.151 0.000 2.414 573 S HA 0.066 4.534 4.470 -0.002 0.000 0.227 573 S C 1.698 176.230 174.600 -0.113 0.000 1.022 573 S CA 0.704 58.841 58.200 -0.105 0.000 0.958 573 S CB 0.311 63.475 63.200 -0.060 0.000 0.797 573 S HN 0.628 nan 8.310 nan 0.000 0.493 574 G N 1.287 110.012 108.800 -0.125 0.000 2.268 574 G HA2 -0.261 3.697 3.960 -0.002 0.000 0.240 574 G HA3 -0.261 3.697 3.960 -0.002 0.000 0.240 574 G C 0.036 174.905 174.900 -0.052 0.000 1.010 574 G CA 0.196 45.239 45.100 -0.096 0.000 0.618 574 G HN 0.625 nan 8.290 nan 0.000 0.516 575 K N 1.495 121.867 120.400 -0.046 0.000 2.295 575 K HA 0.441 4.760 4.320 -0.002 0.000 0.270 575 K C 0.153 176.739 176.600 -0.022 0.000 1.011 575 K CA 0.357 56.627 56.287 -0.029 0.000 0.953 575 K CB 0.507 32.992 32.500 -0.025 0.000 0.956 575 K HN 0.148 nan 8.250 nan 0.000 0.477 576 T N 1.904 116.450 114.554 -0.013 0.000 2.794 576 T HA 0.178 4.527 4.350 -0.002 0.000 0.296 576 T C -0.020 174.675 174.700 -0.008 0.000 0.949 576 T CA -0.684 61.411 62.100 -0.007 0.000 1.101 576 T CB 0.552 69.420 68.868 -0.000 0.000 0.905 576 T HN 0.176 nan 8.240 nan 0.000 0.516 577 V N 2.865 122.773 119.914 -0.010 0.000 2.427 577 V HA 0.583 4.702 4.120 -0.002 0.000 0.286 577 V C 1.009 177.102 176.094 -0.002 0.000 1.034 577 V CA -1.116 61.177 62.300 -0.011 0.000 0.893 577 V CB 1.471 33.279 31.823 -0.025 0.000 0.982 577 V HN 1.026 nan 8.190 nan 0.000 0.452 578 G N 3.592 112.394 108.800 0.003 0.000 2.361 578 G HA2 0.448 4.407 3.960 -0.002 0.000 0.260 578 G HA3 0.448 4.407 3.960 -0.002 0.000 0.260 578 G C 0.193 175.104 174.900 0.018 0.000 1.261 578 G CA -0.235 44.871 45.100 0.010 0.000 0.897 578 G HN 0.755 nan 8.290 nan 0.000 0.499 579 L N 2.945 124.183 121.223 0.026 0.000 3.016 579 L HA 0.212 4.551 4.340 -0.002 0.000 0.267 579 L C 2.373 179.270 176.870 0.044 0.000 1.182 579 L CA 0.194 55.059 54.840 0.043 0.000 0.997 579 L CB 0.690 42.781 42.059 0.052 0.000 1.354 579 L HN 0.707 nan 8.230 nan 0.000 0.569 580 G N 0.672 109.490 108.800 0.030 0.000 2.453 580 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.215 580 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.215 580 G C 1.655 176.567 174.900 0.019 0.000 1.201 580 G CA 0.813 45.927 45.100 0.023 0.000 0.784 580 G HN 0.171 nan 8.290 nan 0.000 0.545 581 R N 0.195 120.705 120.500 0.017 0.000 2.107 581 R HA 0.275 4.614 4.340 -0.002 0.000 0.195 581 R C 0.526 176.835 176.300 0.014 0.000 1.214 581 R CA 0.826 56.932 56.100 0.010 0.000 1.129 581 R CB 0.200 30.503 30.300 0.005 0.000 1.045 581 R HN 0.533 nan 8.270 nan 0.000 0.489 582 E N 0.366 120.578 120.200 0.020 0.000 2.277 582 E HA 0.376 4.725 4.350 -0.002 0.000 0.266 582 E C -1.411 175.213 176.600 0.039 0.000 0.901 582 E CA -1.021 55.395 56.400 0.028 0.000 0.782 582 E CB 1.837 31.548 29.700 0.018 0.000 1.228 582 E HN 0.035 nan 8.360 nan 0.000 0.424 583 L N 2.244 123.501 121.223 0.056 0.000 2.264 583 L HA 0.363 4.701 4.340 -0.002 0.000 0.287 583 L C -0.706 176.183 176.870 0.030 0.000 1.039 583 L CA -0.497 54.370 54.840 0.044 0.000 0.829 583 L CB 0.718 42.813 42.059 0.059 0.000 1.211 583 L HN 0.487 nan 8.230 nan 0.000 0.427 584 R N 6.267 126.777 120.500 0.017 0.000 2.242 584 R HA 0.395 4.734 4.340 -0.002 0.000 0.334 584 R C -1.123 175.181 176.300 0.008 0.000 1.071 584 R CA -0.271 55.838 56.100 0.014 0.000 0.922 584 R CB 0.449 30.756 30.300 0.011 0.000 1.023 584 R HN 0.651 nan 8.270 nan 0.000 0.458 585 L N 2.503 123.734 121.223 0.013 0.000 2.313 585 L HA 0.438 4.777 4.340 -0.002 0.000 0.283 585 L C 0.548 177.429 176.870 0.017 0.000 1.013 585 L CA -0.788 54.058 54.840 0.010 0.000 0.816 585 L CB 1.840 43.906 42.059 0.012 0.000 1.236 585 L HN 0.580 nan 8.230 nan 0.000 0.419 586 A N 5.107 127.938 122.820 0.017 0.000 2.406 586 A HA 0.498 4.817 4.320 -0.002 0.000 0.243 586 A C -2.366 175.238 177.584 0.033 0.000 1.082 586 A CA -1.109 50.943 52.037 0.024 0.000 0.786 586 A CB -0.377 18.638 19.000 0.025 0.000 1.029 586 A HN 0.437 nan 8.150 nan 0.000 0.495 587 P HA 0.105 nan 4.420 nan 0.000 0.264 587 P C -0.396 176.938 177.300 0.056 0.000 1.193 587 P CA 0.266 63.392 63.100 0.044 0.000 0.763 587 P CB 0.216 31.941 31.700 0.042 0.000 0.810 588 K N -0.481 119.954 120.400 0.059 0.000 3.035 588 K HA -0.150 4.169 4.320 -0.002 0.000 0.262 588 K C 0.153 176.798 176.600 0.075 0.000 1.024 588 K CA 0.789 57.119 56.287 0.071 0.000 0.748 588 K CB -1.785 30.766 32.500 0.085 0.000 1.247 588 K HN 0.716 nan 8.250 nan 0.000 0.482 589 S N -1.159 114.576 115.700 0.058 0.000 2.681 589 S HA 0.744 5.213 4.470 -0.002 0.000 0.299 589 S C -0.270 174.349 174.600 0.032 0.000 1.113 589 S CA -0.671 57.558 58.200 0.048 0.000 1.013 589 S CB 2.856 66.077 63.200 0.035 0.000 1.076 589 S HN 0.182 nan 8.310 nan 0.000 0.534 590 V N 1.356 121.278 119.914 0.014 0.000 2.760 590 V HA 0.767 4.885 4.120 -0.002 0.000 0.309 590 V C -1.105 174.961 176.094 -0.048 0.000 1.077 590 V CA -0.471 61.820 62.300 -0.014 0.000 0.910 590 V CB 1.852 33.676 31.823 0.002 0.000 1.008 590 V HN 1.285 nan 8.190 nan 0.000 0.424 591 V N 4.344 124.203 119.914 -0.091 0.000 2.604 591 V HA 0.816 4.935 4.120 -0.002 0.000 0.305 591 V C -0.746 175.252 176.094 -0.161 0.000 1.043 591 V CA -0.634 61.599 62.300 -0.112 0.000 0.888 591 V CB 1.694 33.452 31.823 -0.108 0.000 0.995 591 V HN 0.642 nan 8.190 nan 0.000 0.429 592 V N 5.899 125.730 119.914 -0.139 0.000 2.284 592 V HA 0.482 4.601 4.120 -0.002 0.000 0.274 592 V C -0.124 175.905 176.094 -0.108 0.000 1.023 592 V CA -0.152 62.056 62.300 -0.153 0.000 0.808 592 V CB 0.744 32.463 31.823 -0.173 0.000 1.035 592 V HN 0.805 nan 8.190 nan 0.000 0.445 593 I N 4.008 124.500 120.570 -0.130 0.000 2.321 593 I HA 0.382 4.551 4.170 -0.002 0.000 0.291 593 I C 0.372 176.475 176.117 -0.024 0.000 0.998 593 I CA -0.218 61.038 61.300 -0.072 0.000 1.227 593 I CB 1.355 39.297 38.000 -0.096 0.000 1.368 593 I HN 0.560 nan 8.210 nan 0.000 0.466 594 E N 7.181 127.403 120.200 0.035 0.000 2.216 594 E HA 0.664 5.013 4.350 -0.002 0.000 0.279 594 E C -1.025 175.614 176.600 0.064 0.000 0.997 594 E CA -0.557 55.887 56.400 0.073 0.000 0.817 594 E CB 1.893 31.662 29.700 0.115 0.000 1.096 594 E HN 0.425 nan 8.360 nan 0.000 0.393 595 L N 3.267 124.534 121.223 0.074 0.000 2.393 595 L HA 0.479 4.818 4.340 -0.002 0.000 0.260 595 L C -2.437 174.472 176.870 0.065 0.000 1.002 595 L CA -2.627 52.256 54.840 0.073 0.000 0.818 595 L CB 1.983 44.100 42.059 0.097 0.000 1.369 595 L HN 0.299 nan 8.230 nan 0.000 0.412 596 P HA 0.014 nan 4.420 nan 0.000 0.269 596 P C -0.071 177.257 177.300 0.047 0.000 1.211 596 P CA -0.123 63.001 63.100 0.041 0.000 0.781 596 P CB 0.373 32.093 31.700 0.033 0.000 0.877 597 G N 1.038 109.861 108.800 0.039 0.000 2.559 597 G HA2 0.192 4.151 3.960 -0.002 0.000 0.235 597 G HA3 0.192 4.151 3.960 -0.002 0.000 0.235 597 G C -0.663 174.263 174.900 0.042 0.000 1.266 597 G CA -0.269 44.859 45.100 0.045 0.000 0.847 597 G HN 0.461 nan 8.290 nan 0.000 0.583 598 L N 3.281 124.535 121.223 0.053 0.000 2.331 598 L HA 0.391 4.729 4.340 -0.002 0.000 0.278 598 L C -1.022 175.863 176.870 0.025 0.000 1.106 598 L CA -1.325 53.533 54.840 0.031 0.000 0.824 598 L CB 0.669 42.745 42.059 0.029 0.000 1.142 598 L HN 0.457 nan 8.230 nan 0.000 0.443 599 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 0.004 0.000 0.726