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 2ohj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 K N 2.955 123.356 120.400 0.000 0.000 2.262 2 K HA 0.821 5.141 4.320 -0.000 0.000 0.282 2 K C -1.101 175.514 176.600 0.025 0.000 1.066 2 K CA -0.224 56.068 56.287 0.009 0.000 0.901 2 K CB 1.434 33.943 32.500 0.016 0.000 1.089 2 K HN 0.631 nan 8.250 nan 0.000 0.476 3 A N 2.091 124.925 122.820 0.022 0.000 2.530 3 A HA 0.580 4.900 4.320 -0.000 0.000 0.297 3 A C -1.382 176.228 177.584 0.044 0.000 1.059 3 A CA -0.745 51.319 52.037 0.046 0.000 0.782 3 A CB 1.206 20.227 19.000 0.036 0.000 1.301 3 A HN 0.665 nan 8.150 nan 0.000 0.394 4 A N 1.473 124.345 122.820 0.087 0.000 2.306 4 A HA 0.845 5.165 4.320 -0.000 0.000 0.314 4 A C 0.607 178.284 177.584 0.155 0.000 1.164 4 A CA 0.183 52.279 52.037 0.099 0.000 0.822 4 A CB 0.675 19.740 19.000 0.109 0.000 1.130 4 A HN 2.407 nan 8.150 nan 0.000 0.496 5 A N 1.653 124.555 122.820 0.136 0.000 2.322 5 A HA 0.602 4.922 4.320 -0.000 0.000 0.269 5 A C 0.094 177.893 177.584 0.358 0.000 1.094 5 A CA -0.321 51.853 52.037 0.229 0.000 0.807 5 A CB 0.243 19.322 19.000 0.132 0.000 1.047 5 A HN 0.661 nan 8.150 nan 0.000 0.487 6 K N 0.871 121.556 120.400 0.474 0.000 2.316 6 K HA 0.283 4.603 4.320 -0.000 0.000 0.267 6 K C 0.070 176.841 176.600 0.286 0.000 1.025 6 K CA -0.250 56.245 56.287 0.346 0.000 0.896 6 K CB 0.765 33.430 32.500 0.275 0.000 1.124 6 K HN 0.689 nan 8.250 nan 0.000 0.451 7 R N 4.502 125.081 120.500 0.132 0.000 2.484 7 R HA 0.043 4.383 4.340 -0.000 0.000 0.293 7 R C 0.231 176.432 176.300 -0.166 0.000 1.023 7 R CA 0.240 56.151 56.100 -0.314 0.000 1.037 7 R CB 0.322 30.444 30.300 -0.296 0.000 0.951 7 R HN 0.609 nan 8.270 nan 0.000 0.418 8 I N 1.172 121.624 120.570 -0.197 0.000 3.812 8 I HA 0.155 4.325 4.170 -0.000 0.000 0.292 8 I C 0.482 176.542 176.117 -0.095 0.000 1.206 8 I CA 0.713 61.975 61.300 -0.063 0.000 1.370 8 I CB 0.142 38.185 38.000 0.072 0.000 1.328 8 I HN 0.578 nan 8.210 nan 0.000 0.453 9 S N -0.527 115.093 115.700 -0.133 0.000 2.671 9 S HA 0.282 4.752 4.470 -0.000 0.000 0.277 9 S C -1.462 173.061 174.600 -0.129 0.000 1.165 9 S CA -0.551 57.589 58.200 -0.102 0.000 0.822 9 S CB 1.618 64.780 63.200 -0.064 0.000 1.150 9 S HN 0.128 nan 8.310 nan 0.000 0.479 10 D N 0.725 121.080 120.400 -0.074 0.000 2.401 10 D HA 0.443 5.083 4.640 -0.000 0.000 0.254 10 D C 1.177 177.470 176.300 -0.011 0.000 1.192 10 D CA 1.996 55.968 54.000 -0.047 0.000 0.885 10 D CB 0.276 41.066 40.800 -0.016 0.000 1.147 10 D HN 0.929 nan 8.370 nan 0.000 0.478 11 G N 2.441 111.257 108.800 0.028 0.000 2.168 11 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.257 11 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.257 11 G C -0.021 174.980 174.900 0.167 0.000 0.997 11 G CA 0.396 45.585 45.100 0.148 0.000 0.708 11 G HN 0.558 nan 8.290 nan 0.000 0.520 12 V N 0.078 120.003 119.914 0.019 0.000 2.525 12 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 12 V C -0.590 175.478 176.094 -0.042 0.000 1.034 12 V CA -1.045 61.320 62.300 0.109 0.000 0.863 12 V CB 1.446 33.346 31.823 0.127 0.000 0.999 12 V HN 0.274 nan 8.190 nan 0.000 0.423 13 Y N 1.894 122.321 120.300 0.211 0.000 2.462 13 Y HA 0.467 5.017 4.550 -0.000 0.000 0.346 13 Y C -0.417 175.677 175.900 0.322 0.000 0.976 13 Y CA -0.691 57.546 58.100 0.229 0.000 1.044 13 Y CB 1.955 40.494 38.460 0.132 0.000 1.230 13 Y HN 0.748 nan 8.280 nan 0.000 0.455 14 W N 3.860 125.329 121.300 0.282 0.000 2.287 14 W HA 0.435 5.095 4.660 -0.000 0.000 0.313 14 W C -0.020 176.525 176.519 0.043 0.000 1.267 14 W CA -0.373 57.029 57.345 0.095 0.000 1.201 14 W CB 1.089 30.582 29.460 0.056 0.000 1.196 14 W HN 0.511 nan 8.180 nan 0.000 0.536 15 T N 3.193 117.286 114.554 -0.768 0.000 3.741 15 T HA 0.454 4.804 4.350 -0.000 0.000 0.242 15 T C 0.164 174.257 174.700 -1.012 0.000 1.042 15 T CA -0.274 61.401 62.100 -0.709 0.000 1.278 15 T CB -0.369 68.318 68.868 -0.301 0.000 0.994 15 T HN 0.527 nan 8.240 nan 0.000 0.594 16 G N 0.616 108.223 108.800 -1.989 0.000 2.606 16 G HA2 0.678 4.638 3.960 -0.000 0.000 0.262 16 G HA3 0.678 4.638 3.960 -0.000 0.000 0.262 16 G C -1.098 173.432 174.900 -0.617 0.000 1.394 16 G CA -0.813 43.591 45.100 -1.161 0.000 1.044 16 G HN 0.473 nan 8.290 nan 0.000 0.553 17 V N 0.059 119.904 119.914 -0.116 0.000 2.656 17 V HA 0.399 4.519 4.120 -0.000 0.000 0.307 17 V C -0.441 175.686 176.094 0.054 0.000 1.051 17 V CA -0.523 61.809 62.300 0.054 0.000 0.893 17 V CB 1.774 33.716 31.823 0.198 0.000 0.999 17 V HN 0.492 nan 8.190 nan 0.000 0.426 18 L N 3.772 124.991 121.223 -0.008 0.000 2.262 18 L HA 0.487 4.827 4.340 -0.000 0.000 0.288 18 L C -0.346 176.327 176.870 -0.329 0.000 1.035 18 L CA -0.279 54.387 54.840 -0.290 0.000 0.820 18 L CB 1.040 42.813 42.059 -0.475 0.000 1.204 18 L HN 0.561 nan 8.230 nan 0.000 0.424 19 D N 2.752 122.929 120.400 -0.370 0.000 2.518 19 D HA 0.105 4.745 4.640 -0.000 0.000 0.230 19 D C 0.639 176.827 176.300 -0.185 0.000 1.138 19 D CA -0.399 53.473 54.000 -0.212 0.000 0.964 19 D CB 0.424 41.077 40.800 -0.246 0.000 1.011 19 D HN 0.354 nan 8.370 nan 0.000 0.517 20 W N 1.387 122.660 121.300 -0.044 0.000 2.392 20 W HA -0.072 4.588 4.660 -0.000 0.000 0.279 20 W C 1.518 178.009 176.519 -0.047 0.000 1.225 20 W CA 0.354 57.678 57.345 -0.035 0.000 1.233 20 W CB 0.264 29.715 29.460 -0.014 0.000 1.122 20 W HN 0.304 nan 8.180 nan 0.000 0.561 21 D N -0.578 119.918 120.400 0.160 0.000 2.366 21 D HA 0.037 4.676 4.640 -0.000 0.000 0.205 21 D C 0.567 176.858 176.300 -0.016 0.000 1.022 21 D CA 0.138 54.184 54.000 0.076 0.000 0.868 21 D CB -0.149 40.691 40.800 0.066 0.000 0.953 21 D HN 0.006 nan 8.370 nan 0.000 0.514 22 L N 1.790 122.957 121.223 -0.093 0.000 2.453 22 L HA 0.031 4.370 4.340 -0.000 0.000 0.272 22 L C 1.176 177.970 176.870 -0.128 0.000 1.182 22 L CA 0.522 55.245 54.840 -0.194 0.000 0.858 22 L CB 0.540 42.364 42.059 -0.393 0.000 1.120 22 L HN -0.245 nan 8.230 nan 0.000 0.474 23 R N 2.035 122.475 120.500 -0.099 0.000 2.492 23 R HA 0.305 4.645 4.340 -0.000 0.000 0.219 23 R C -0.381 175.923 176.300 0.007 0.000 0.886 23 R CA -0.089 55.995 56.100 -0.026 0.000 1.003 23 R CB -0.077 30.220 30.300 -0.005 0.000 1.345 23 R HN 0.640 nan 8.270 nan 0.000 0.631 24 N N 0.462 119.160 118.700 -0.004 0.000 2.578 24 N HA 0.175 4.915 4.740 -0.000 0.000 0.282 24 N C -1.703 173.889 175.510 0.138 0.000 1.119 24 N CA -0.534 52.559 53.050 0.073 0.000 0.948 24 N CB 1.109 39.619 38.487 0.039 0.000 1.546 24 N HN 0.102 nan 8.380 nan 0.000 0.525 25 Y N 0.171 120.421 120.300 -0.083 0.000 2.662 25 Y HA 0.323 4.872 4.550 -0.000 0.000 0.334 25 Y C -0.394 175.453 175.900 -0.089 0.000 1.185 25 Y CA -1.062 56.938 58.100 -0.166 0.000 1.074 25 Y CB 0.928 39.187 38.460 -0.336 0.000 1.330 25 Y HN 0.674 nan 8.280 nan 0.000 0.458 26 H N 1.817 120.767 119.070 -0.199 0.000 2.899 26 H HA -0.167 4.389 4.556 -0.000 0.000 0.282 26 H C 1.260 176.574 175.328 -0.024 0.000 1.198 26 H CA 1.320 57.234 56.048 -0.223 0.000 1.140 26 H CB -1.338 28.136 29.762 -0.480 0.000 1.317 26 H HN 1.721 nan 8.280 nan 0.000 0.375 27 G N -0.900 107.961 108.800 0.102 0.000 2.159 27 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.256 27 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.256 27 G C -0.192 174.727 174.900 0.032 0.000 0.977 27 G CA 0.492 45.599 45.100 0.012 0.000 0.652 27 G HN 0.660 nan 8.290 nan 0.000 0.531 28 Y N 1.553 121.850 120.300 -0.005 0.000 2.425 28 Y HA 0.574 5.124 4.550 -0.000 0.000 0.344 28 Y C 0.661 176.587 175.900 0.043 0.000 0.969 28 Y CA -0.119 58.002 58.100 0.035 0.000 1.052 28 Y CB 1.788 40.288 38.460 0.068 0.000 1.215 28 Y HN 0.344 nan 8.280 nan 0.000 0.451 29 T N 5.193 119.803 114.554 0.092 0.000 2.907 29 T HA 0.760 5.110 4.350 -0.000 0.000 0.284 29 T C -0.663 174.186 174.700 0.248 0.000 1.004 29 T CA -0.644 61.536 62.100 0.134 0.000 1.063 29 T CB 1.396 70.281 68.868 0.027 0.000 0.992 29 T HN 0.751 nan 8.240 nan 0.000 0.483 30 L N -0.765 120.573 121.223 0.191 0.000 2.720 30 L HA 0.722 5.062 4.340 -0.000 0.000 0.261 30 L C -0.990 175.944 176.870 0.106 0.000 1.046 30 L CA -1.356 53.603 54.840 0.198 0.000 0.886 30 L CB 2.097 44.264 42.059 0.180 0.000 1.493 30 L HN 0.583 nan 8.230 nan 0.000 0.407 31 Q N 1.082 120.949 119.800 0.112 0.000 2.824 31 Q HA 0.611 4.951 4.340 -0.000 0.000 0.371 31 Q C -0.126 175.919 176.000 0.076 0.000 1.071 31 Q CA 0.697 56.554 55.803 0.090 0.000 1.064 31 Q CB 0.385 29.187 28.738 0.107 0.000 1.332 31 Q HN 1.191 nan 8.270 nan 0.000 0.445 32 G N 0.154 108.966 108.800 0.021 0.000 2.730 32 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 32 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 32 G C -0.515 174.342 174.900 -0.071 0.000 1.343 32 G CA -0.350 44.729 45.100 -0.036 0.000 0.826 32 G HN 0.550 nan 8.290 nan 0.000 0.582 33 T N -1.171 113.279 114.554 -0.172 0.000 2.731 33 T HA 0.913 5.263 4.350 -0.000 0.000 0.300 33 T C 0.102 174.613 174.700 -0.315 0.000 1.283 33 T CA 1.083 63.107 62.100 -0.127 0.000 1.005 33 T CB 1.541 70.425 68.868 0.026 0.000 1.420 33 T HN 2.298 nan 8.240 nan 0.000 0.503 34 T N 0.198 114.622 114.554 -0.217 0.000 2.916 34 T HA 0.730 5.080 4.350 -0.000 0.000 0.292 34 T C -1.705 172.780 174.700 -0.358 0.000 1.055 34 T CA -0.591 61.327 62.100 -0.303 0.000 1.009 34 T CB 1.195 70.052 68.868 -0.019 0.000 1.118 34 T HN 0.474 nan 8.240 nan 0.000 0.497 35 Y N 1.373 121.773 120.300 0.167 0.000 2.587 35 Y HA 0.439 4.989 4.550 -0.000 0.000 0.328 35 Y C 0.206 176.148 175.900 0.070 0.000 0.980 35 Y CA -1.596 56.570 58.100 0.109 0.000 1.272 35 Y CB 0.305 38.802 38.460 0.061 0.000 1.094 35 Y HN 0.542 nan 8.280 nan 0.000 0.503 36 N N 2.723 121.549 118.700 0.210 0.000 2.411 36 N HA 0.504 5.244 4.740 -0.000 0.000 0.259 36 N C -0.314 175.064 175.510 -0.220 0.000 1.103 36 N CA -0.096 52.975 53.050 0.035 0.000 0.954 36 N CB 1.434 40.059 38.487 0.229 0.000 1.085 36 N HN 0.688 nan 8.380 nan 0.000 0.485 37 A N 2.494 124.989 122.820 -0.541 0.000 2.354 37 A HA 0.775 5.095 4.320 -0.000 0.000 0.321 37 A C -1.397 175.809 177.584 -0.630 0.000 1.125 37 A CA -0.564 51.252 52.037 -0.369 0.000 0.799 37 A CB 0.929 19.802 19.000 -0.212 0.000 1.293 37 A HN 0.579 nan 8.150 nan 0.000 0.452 38 Y N 0.059 120.335 120.300 -0.040 0.000 2.386 38 Y HA 0.515 5.065 4.550 -0.000 0.000 0.334 38 Y C -0.521 175.341 175.900 -0.064 0.000 1.002 38 Y CA -0.618 57.485 58.100 0.005 0.000 1.068 38 Y CB 2.006 40.531 38.460 0.107 0.000 1.203 38 Y HN 0.576 nan 8.280 nan 0.000 0.443 39 L N 4.445 125.759 121.223 0.151 0.000 2.264 39 L HA 0.683 5.023 4.340 -0.000 0.000 0.289 39 L C -1.014 175.952 176.870 0.159 0.000 1.044 39 L CA -0.443 54.453 54.840 0.093 0.000 0.807 39 L CB 0.839 42.932 42.059 0.057 0.000 1.192 39 L HN 0.473 nan 8.230 nan 0.000 0.425 40 V N 4.260 124.213 119.914 0.064 0.000 2.409 40 V HA 0.411 4.531 4.120 -0.000 0.000 0.291 40 V C -0.668 175.466 176.094 0.068 0.000 1.020 40 V CA -0.595 61.752 62.300 0.077 0.000 0.848 40 V CB 1.386 33.201 31.823 -0.013 0.000 0.990 40 V HN 0.848 nan 8.190 nan 0.000 0.430 41 C N 4.292 123.653 119.300 0.102 0.000 2.316 41 C HA 0.803 5.263 4.460 -0.000 0.000 0.324 41 C C 1.097 176.128 174.990 0.068 0.000 1.226 41 C CA -0.765 58.300 59.018 0.079 0.000 1.450 41 C CB 0.278 28.073 27.740 0.092 0.000 2.123 41 C HN 1.033 nan 8.230 nan 0.000 0.454 42 G N 1.581 110.412 108.800 0.052 0.000 2.510 42 G HA2 0.314 4.274 3.960 -0.000 0.000 0.280 42 G HA3 0.314 4.274 3.960 -0.000 0.000 0.280 42 G C 0.425 175.349 174.900 0.041 0.000 1.386 42 G CA -0.165 44.960 45.100 0.041 0.000 1.047 42 G HN 0.663 nan 8.290 nan 0.000 0.527 43 D N -0.595 119.825 120.400 0.033 0.000 2.224 43 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 43 D C 1.845 178.165 176.300 0.032 0.000 0.965 43 D CA 1.178 55.196 54.000 0.030 0.000 0.852 43 D CB 0.459 41.274 40.800 0.024 0.000 0.947 43 D HN 0.668 nan 8.370 nan 0.000 0.494 44 E N -0.137 120.088 120.200 0.042 0.000 2.357 44 E HA 0.262 4.612 4.350 -0.000 0.000 0.202 44 E C 1.161 177.798 176.600 0.063 0.000 0.855 44 E CA 0.065 56.494 56.400 0.049 0.000 1.048 44 E CB 0.754 30.488 29.700 0.057 0.000 1.037 44 E HN 0.038 nan 8.360 nan 0.000 0.499 45 G N 0.864 109.725 108.800 0.102 0.000 2.537 45 G HA2 0.531 4.491 3.960 -0.000 0.000 0.308 45 G HA3 0.531 4.491 3.960 -0.000 0.000 0.308 45 G C -1.205 173.762 174.900 0.112 0.000 1.237 45 G CA -0.403 44.789 45.100 0.154 0.000 0.968 45 G HN -0.035 nan 8.290 nan 0.000 0.481 46 V N 0.492 120.441 119.914 0.058 0.000 2.483 46 V HA 0.693 4.813 4.120 -0.000 0.000 0.297 46 V C 0.160 176.282 176.094 0.047 0.000 1.027 46 V CA -0.681 61.629 62.300 0.017 0.000 0.855 46 V CB 1.187 32.968 31.823 -0.069 0.000 0.995 46 V HN 1.139 nan 8.190 nan 0.000 0.424 47 A N 4.986 127.848 122.820 0.070 0.000 2.324 47 A HA 0.899 5.219 4.320 -0.000 0.000 0.330 47 A C -1.093 176.469 177.584 -0.037 0.000 1.165 47 A CA -0.549 51.522 52.037 0.056 0.000 0.813 47 A CB 1.336 20.343 19.000 0.013 0.000 1.197 47 A HN 0.828 nan 8.150 nan 0.000 0.484 48 L N 3.395 124.591 121.223 -0.045 0.000 2.298 48 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 48 L C -0.940 175.920 176.870 -0.017 0.000 1.013 48 L CA -0.162 54.647 54.840 -0.052 0.000 0.824 48 L CB 0.744 42.756 42.059 -0.079 0.000 1.221 48 L HN 0.578 nan 8.230 nan 0.000 0.418 49 I N 5.707 126.256 120.570 -0.035 0.000 2.297 49 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 49 I C -0.412 175.767 176.117 0.103 0.000 1.033 49 I CA -0.584 60.715 61.300 -0.002 0.000 1.253 49 I CB 0.451 38.323 38.000 -0.213 0.000 1.396 49 I HN 0.654 nan 8.210 nan 0.000 0.476 50 D N 4.244 124.725 120.400 0.134 0.000 10.226 50 D HA -0.224 4.416 4.640 -0.000 0.000 0.359 50 D C -0.442 175.912 176.300 0.090 0.000 2.990 50 D CA 1.136 55.228 54.000 0.154 0.000 2.347 50 D CB -0.126 40.815 40.800 0.235 0.000 1.140 50 D HN 0.886 nan 8.370 nan 0.000 1.059 51 N N -1.371 117.383 118.700 0.089 0.000 2.698 51 N HA 0.642 5.382 4.740 -0.000 0.000 0.186 51 N C -0.880 174.664 175.510 0.057 0.000 1.712 51 N CA 0.241 53.321 53.050 0.050 0.000 1.153 51 N CB 0.523 39.038 38.487 0.046 0.000 2.112 51 N HN 0.687 nan 8.380 nan 0.000 0.308 52 S N -3.075 112.629 115.700 0.006 0.000 2.643 52 S HA 0.344 4.814 4.470 -0.000 0.000 0.270 52 S C -1.476 173.018 174.600 -0.176 0.000 1.166 52 S CA -0.984 57.181 58.200 -0.059 0.000 0.815 52 S CB 0.335 63.575 63.200 0.068 0.000 1.139 52 S HN 0.494 nan 8.310 nan 0.000 0.472 53 Y N 2.486 122.466 120.300 -0.534 0.000 2.788 53 Y HA 0.262 4.812 4.550 -0.000 0.000 0.341 53 Y C -2.434 173.372 175.900 -0.157 0.000 1.258 53 Y CA -0.312 57.534 58.100 -0.424 0.000 1.503 53 Y CB 0.230 38.343 38.460 -0.579 0.000 1.325 53 Y HN 0.433 nan 8.280 nan 0.000 0.614 54 P HA 0.074 nan 4.420 nan 0.000 0.264 54 P C 0.327 177.618 177.300 -0.016 0.000 1.183 54 P CA 2.030 64.966 63.100 -0.272 0.000 0.763 54 P CB 0.404 31.874 31.700 -0.384 0.000 0.807 55 G N 2.177 111.001 108.800 0.039 0.000 2.175 55 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 55 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 55 G C 0.666 175.651 174.900 0.142 0.000 0.982 55 G CA 0.464 45.627 45.100 0.105 0.000 0.641 55 G HN 0.678 nan 8.290 nan 0.000 0.527 56 T N -2.359 112.287 114.554 0.154 0.000 3.134 56 T HA 0.428 4.778 4.350 -0.000 0.000 0.260 56 T C 1.599 176.390 174.700 0.153 0.000 1.027 56 T CA 0.663 62.855 62.100 0.154 0.000 0.913 56 T CB -0.028 68.943 68.868 0.173 0.000 1.046 56 T HN 0.512 nan 8.240 nan 0.000 0.553 57 F N 3.146 123.098 119.950 0.004 0.000 2.161 57 F HA -0.047 4.480 4.527 -0.000 0.000 0.300 57 F C 1.414 177.209 175.800 -0.008 0.000 1.089 57 F CA 1.250 59.242 58.000 -0.013 0.000 1.282 57 F CB -0.422 38.562 39.000 -0.027 0.000 1.010 57 F HN 0.130 nan 8.300 nan 0.000 0.485 58 D N 0.115 120.460 120.400 -0.092 0.000 2.097 58 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 58 D C 2.243 178.435 176.300 -0.179 0.000 0.989 58 D CA 1.561 55.444 54.000 -0.194 0.000 0.827 58 D CB -0.485 40.283 40.800 -0.054 0.000 0.966 58 D HN 0.516 nan 8.370 nan 0.000 0.456 59 E N 0.122 120.273 120.200 -0.080 0.000 2.051 59 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 59 E C 2.249 178.776 176.600 -0.121 0.000 0.991 59 E CA 0.582 56.947 56.400 -0.059 0.000 0.799 59 E CB -0.156 29.550 29.700 0.010 0.000 0.748 59 E HN 0.173 nan 8.360 nan 0.000 0.449 60 L N 0.091 121.232 121.223 -0.136 0.000 1.994 60 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 60 L C 2.536 179.275 176.870 -0.218 0.000 1.071 60 L CA 1.521 56.262 54.840 -0.165 0.000 0.745 60 L CB -0.300 41.717 42.059 -0.070 0.000 0.892 60 L HN 0.268 nan 8.230 nan 0.000 0.431 61 M N 0.008 119.377 119.600 -0.384 0.000 2.073 61 M HA -0.237 4.243 4.480 -0.000 0.000 0.258 61 M C 2.327 178.486 176.300 -0.236 0.000 1.070 61 M CA 2.171 57.219 55.300 -0.420 0.000 1.103 61 M CB -1.068 31.006 32.600 -0.877 0.000 1.321 61 M HN 0.420 nan 8.290 nan 0.000 0.405 62 A N -0.410 122.282 122.820 -0.213 0.000 1.917 62 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 62 A C 2.301 179.824 177.584 -0.100 0.000 1.182 62 A CA 2.191 54.151 52.037 -0.128 0.000 0.633 62 A CB -0.674 18.269 19.000 -0.095 0.000 0.819 62 A HN 0.595 nan 8.150 nan 0.000 0.448 63 R N -1.007 119.423 120.500 -0.117 0.000 2.090 63 R HA -0.020 4.320 4.340 -0.000 0.000 0.228 63 R C 2.082 178.311 176.300 -0.117 0.000 1.110 63 R CA 1.219 57.255 56.100 -0.108 0.000 0.973 63 R CB -0.552 29.646 30.300 -0.170 0.000 0.869 63 R HN 0.400 nan 8.270 nan 0.000 0.440 64 V N 1.566 121.405 119.914 -0.125 0.000 2.287 64 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 64 V C 2.053 178.093 176.094 -0.089 0.000 1.053 64 V CA 1.890 64.130 62.300 -0.099 0.000 1.027 64 V CB -0.437 31.358 31.823 -0.047 0.000 0.646 64 V HN 0.350 nan 8.190 nan 0.000 0.447 65 E N -0.197 119.961 120.200 -0.069 0.000 2.058 65 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 65 E C 2.000 178.551 176.600 -0.081 0.000 0.997 65 E CA 1.783 58.149 56.400 -0.057 0.000 0.801 65 E CB -0.245 29.421 29.700 -0.057 0.000 0.746 65 E HN 0.718 nan 8.360 nan 0.000 0.450 66 D N 0.013 120.361 120.400 -0.086 0.000 2.123 66 D HA -0.171 4.468 4.640 -0.000 0.000 0.196 66 D C 1.852 178.049 176.300 -0.172 0.000 0.992 66 D CA 1.574 55.521 54.000 -0.088 0.000 0.833 66 D CB -0.023 40.748 40.800 -0.048 0.000 0.954 66 D HN 0.183 nan 8.370 nan 0.000 0.455 67 A N 0.030 122.697 122.820 -0.255 0.000 1.877 67 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 67 A C 2.385 179.692 177.584 -0.462 0.000 1.186 67 A CA 1.117 52.817 52.037 -0.562 0.000 0.620 67 A CB -0.893 17.805 19.000 -0.504 0.000 0.822 67 A HN 0.373 nan 8.150 nan 0.000 0.443 68 L N -0.901 120.177 121.223 -0.241 0.000 2.131 68 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 68 L C 2.865 179.666 176.870 -0.114 0.000 1.092 68 L CA 1.644 56.395 54.840 -0.149 0.000 0.759 68 L CB -0.416 41.596 42.059 -0.078 0.000 0.903 68 L HN 0.578 nan 8.230 nan 0.000 0.435 69 Q N -0.269 119.465 119.800 -0.111 0.000 2.083 69 Q HA -0.216 4.124 4.340 -0.000 0.000 0.198 69 Q C 2.244 178.206 176.000 -0.064 0.000 0.969 69 Q CA 1.327 57.089 55.803 -0.069 0.000 0.838 69 Q CB 0.083 28.789 28.738 -0.054 0.000 0.900 69 Q HN 0.541 nan 8.270 nan 0.000 0.436 70 Q N -0.331 119.405 119.800 -0.107 0.000 2.124 70 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 70 Q C 2.085 178.087 176.000 0.004 0.000 0.977 70 Q CA 1.842 57.617 55.803 -0.046 0.000 0.850 70 Q CB 0.041 28.748 28.738 -0.052 0.000 0.901 70 Q HN 0.442 nan 8.270 nan 0.000 0.429 71 V N -3.705 116.179 119.914 -0.050 0.000 3.235 71 V HA 0.288 4.408 4.120 -0.000 0.000 0.259 71 V C 1.110 177.211 176.094 0.012 0.000 1.133 71 V CA 0.724 63.040 62.300 0.028 0.000 1.128 71 V CB -0.440 31.411 31.823 0.047 0.000 0.757 71 V HN 0.384 nan 8.190 nan 0.000 0.469 72 G N 0.944 109.736 108.800 -0.013 0.000 2.256 72 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.272 72 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.272 72 G C -0.260 174.636 174.900 -0.007 0.000 1.076 72 G CA 0.611 45.707 45.100 -0.007 0.000 0.882 72 G HN 0.440 nan 8.290 nan 0.000 0.497 73 M N -0.862 118.726 119.600 -0.020 0.000 2.664 73 M HA 0.477 4.957 4.480 -0.000 0.000 0.314 73 M C 0.936 177.226 176.300 -0.016 0.000 1.200 73 M CA -0.910 54.380 55.300 -0.018 0.000 0.916 73 M CB 1.510 34.095 32.600 -0.025 0.000 1.717 73 M HN 0.044 nan 8.290 nan 0.000 0.470 74 E N 1.294 121.489 120.200 -0.007 0.000 2.102 74 E HA 0.056 4.406 4.350 -0.000 0.000 0.190 74 E C 0.261 176.888 176.600 0.045 0.000 0.971 74 E CA 0.785 57.193 56.400 0.012 0.000 0.821 74 E CB 0.831 30.538 29.700 0.012 0.000 0.777 74 E HN 0.611 nan 8.360 nan 0.000 0.460 75 R N -0.924 119.587 120.500 0.018 0.000 2.764 75 R HA 0.426 4.766 4.340 -0.000 0.000 0.270 75 R C -0.818 175.353 176.300 -0.214 0.000 1.014 75 R CA -0.695 55.431 56.100 0.042 0.000 0.904 75 R CB 1.003 31.401 30.300 0.163 0.000 1.236 75 R HN -0.248 nan 8.270 nan 0.000 0.466 76 V N 2.523 122.049 119.914 -0.647 0.000 2.479 76 V HA 0.017 4.137 4.120 -0.000 0.000 0.281 76 V C 0.429 176.206 176.094 -0.529 0.000 1.031 76 V CA 0.301 62.167 62.300 -0.722 0.000 1.038 76 V CB 1.025 32.141 31.823 -1.177 0.000 0.981 76 V HN 0.787 nan 8.190 nan 0.000 0.478 77 D N 3.263 123.409 120.400 -0.424 0.000 2.271 77 D HA 0.042 4.682 4.640 -0.000 0.000 0.206 77 D C -0.307 175.549 176.300 -0.740 0.000 0.967 77 D CA 1.245 54.872 54.000 -0.621 0.000 0.867 77 D CB 0.426 40.703 40.800 -0.872 0.000 0.960 77 D HN 0.595 nan 8.370 nan 0.000 0.509 78 Y N -0.048 120.205 120.300 -0.078 0.000 2.421 78 Y HA 0.451 5.001 4.550 -0.000 0.000 0.339 78 Y C -0.164 175.722 175.900 -0.024 0.000 0.996 78 Y CA -0.799 57.296 58.100 -0.007 0.000 1.046 78 Y CB 1.761 40.156 38.460 -0.108 0.000 1.226 78 Y HN -0.309 nan 8.280 nan 0.000 0.445 79 I N 5.090 125.785 120.570 0.208 0.000 2.328 79 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 79 I C -0.912 175.323 176.117 0.196 0.000 1.012 79 I CA -0.505 60.874 61.300 0.131 0.000 1.195 79 I CB 0.686 38.736 38.000 0.084 0.000 1.350 79 I HN 0.440 nan 8.210 nan 0.000 0.464 80 I N 6.132 126.795 120.570 0.156 0.000 2.331 80 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 80 I C 0.101 176.320 176.117 0.171 0.000 0.998 80 I CA -0.216 61.198 61.300 0.190 0.000 1.267 80 I CB 1.232 39.343 38.000 0.186 0.000 1.386 80 I HN 0.457 nan 8.210 nan 0.000 0.476 81 Q N 4.855 124.765 119.800 0.183 0.000 2.462 81 Q HA 0.356 4.696 4.340 -0.000 0.000 0.247 81 Q C 0.492 176.629 176.000 0.229 0.000 1.044 81 Q CA -0.064 55.855 55.803 0.194 0.000 0.803 81 Q CB 0.484 29.324 28.738 0.171 0.000 1.190 81 Q HN 0.412 nan 8.270 nan 0.000 0.507 82 N N 1.915 120.795 118.700 0.301 0.000 2.381 82 N HA -0.067 4.673 4.740 -0.000 0.000 0.182 82 N C -0.525 175.159 175.510 0.291 0.000 1.025 82 N CA 0.889 54.104 53.050 0.275 0.000 0.888 82 N CB 0.020 38.622 38.487 0.192 0.000 0.965 82 N HN 0.757 nan 8.380 nan 0.000 0.438 83 H N -5.412 113.716 119.070 0.097 0.000 3.037 83 H HA 0.277 4.833 4.556 -0.000 0.000 0.336 83 H C 0.547 175.922 175.328 0.078 0.000 1.323 83 H CA -0.859 55.231 56.048 0.069 0.000 1.159 83 H CB 1.235 31.005 29.762 0.012 0.000 1.882 83 H HN -0.201 nan 8.280 nan 0.000 0.535 84 V N -1.682 118.300 119.914 0.112 0.000 3.052 84 V HA -0.002 4.118 4.120 -0.000 0.000 0.254 84 V C 0.823 176.835 176.094 -0.136 0.000 1.100 84 V CA 1.142 63.440 62.300 -0.002 0.000 1.112 84 V CB -0.395 31.427 31.823 -0.002 0.000 0.738 84 V HN 0.817 nan 8.190 nan 0.000 0.469 85 E N 2.728 122.875 120.200 -0.088 0.000 2.829 85 E HA -0.190 4.160 4.350 -0.000 0.000 0.264 85 E C 1.448 177.970 176.600 -0.131 0.000 0.922 85 E CA 1.037 57.384 56.400 -0.088 0.000 0.960 85 E CB 0.482 30.192 29.700 0.017 0.000 0.918 85 E HN 0.729 nan 8.360 nan 0.000 0.497 86 K N 3.509 123.830 120.400 -0.133 0.000 2.209 86 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 86 K C 0.713 177.191 176.600 -0.203 0.000 1.048 86 K CA 1.413 57.609 56.287 -0.152 0.000 0.940 86 K CB -0.005 32.412 32.500 -0.139 0.000 0.729 86 K HN 0.442 nan 8.250 nan 0.000 0.451 87 D N 0.985 121.289 120.400 -0.160 0.000 2.239 87 D HA -0.181 4.459 4.640 -0.000 0.000 0.202 87 D C 1.331 177.222 176.300 -0.682 0.000 0.993 87 D CA 1.196 54.938 54.000 -0.430 0.000 0.874 87 D CB -0.017 40.532 40.800 -0.418 0.000 0.922 87 D HN 0.519 nan 8.370 nan 0.000 0.464 88 H N -2.454 116.519 119.070 -0.161 0.000 3.241 88 H HA 0.261 4.817 4.556 -0.000 0.000 0.260 88 H C 1.269 176.514 175.328 -0.139 0.000 1.084 88 H CA 0.734 56.664 56.048 -0.197 0.000 1.203 88 H CB 0.680 30.141 29.762 -0.503 0.000 1.524 88 H HN 0.129 nan 8.280 nan 0.000 0.521 89 S N -0.424 115.248 115.700 -0.047 0.000 2.701 89 S HA 0.163 4.633 4.470 -0.000 0.000 0.242 89 S C 1.887 176.412 174.600 -0.126 0.000 1.025 89 S CA 0.232 58.410 58.200 -0.037 0.000 1.016 89 S CB 0.268 63.504 63.200 0.059 0.000 0.977 89 S HN 0.233 nan 8.310 nan 0.000 0.546 90 G N 1.831 110.551 108.800 -0.135 0.000 2.509 90 G HA2 0.029 3.989 3.960 -0.000 0.000 0.218 90 G HA3 0.029 3.989 3.960 -0.000 0.000 0.218 90 G C 1.015 175.785 174.900 -0.217 0.000 1.124 90 G CA 1.094 46.090 45.100 -0.173 0.000 0.776 90 G HN 1.164 nan 8.290 nan 0.000 0.547 91 V N -1.673 118.131 119.914 -0.183 0.000 3.006 91 V HA 0.452 4.572 4.120 -0.000 0.000 0.357 91 V C 1.603 177.553 176.094 -0.241 0.000 1.377 91 V CA -0.381 61.808 62.300 -0.186 0.000 1.198 91 V CB 0.382 32.221 31.823 0.026 0.000 1.216 91 V HN 0.069 nan 8.190 nan 0.000 0.520 92 L N 0.598 121.622 121.223 -0.331 0.000 2.093 92 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 92 L C 2.285 178.986 176.870 -0.282 0.000 1.085 92 L CA 2.121 56.790 54.840 -0.285 0.000 0.755 92 L CB -0.287 41.572 42.059 -0.334 0.000 0.904 92 L HN 0.251 nan 8.230 nan 0.000 0.435 93 V N -0.376 119.302 119.914 -0.393 0.000 2.427 93 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 93 V C 2.423 178.368 176.094 -0.247 0.000 1.051 93 V CA 1.887 64.032 62.300 -0.258 0.000 1.048 93 V CB -0.608 31.067 31.823 -0.246 0.000 0.666 93 V HN 0.482 nan 8.190 nan 0.000 0.456 94 E N -0.120 119.817 120.200 -0.438 0.000 2.152 94 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 94 E C 2.223 178.427 176.600 -0.660 0.000 0.983 94 E CA 0.734 56.703 56.400 -0.718 0.000 0.818 94 E CB -0.090 28.817 29.700 -1.321 0.000 0.758 94 E HN 0.482 nan 8.360 nan 0.000 0.467 95 L N 0.287 121.281 121.223 -0.382 0.000 2.093 95 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 95 L C 2.566 179.503 176.870 0.112 0.000 1.085 95 L CA 1.127 55.988 54.840 0.035 0.000 0.755 95 L CB -0.254 41.893 42.059 0.147 0.000 0.904 95 L HN 0.214 nan 8.230 nan 0.000 0.435 96 H N -0.021 118.996 119.070 -0.088 0.000 2.389 96 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 96 H C 2.358 177.633 175.328 -0.087 0.000 1.081 96 H CA 1.632 57.639 56.048 -0.070 0.000 1.345 96 H CB 0.110 29.800 29.762 -0.120 0.000 1.393 96 H HN 0.067 nan 8.280 nan 0.000 0.520 97 R N -0.345 120.020 120.500 -0.224 0.000 2.075 97 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 97 R C 2.283 178.419 176.300 -0.274 0.000 1.126 97 R CA 1.334 57.268 56.100 -0.277 0.000 0.963 97 R CB -0.018 30.149 30.300 -0.220 0.000 0.858 97 R HN 0.121 nan 8.270 nan 0.000 0.435 98 R N -0.273 120.049 120.500 -0.296 0.000 2.115 98 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 98 R C -0.251 175.576 176.300 -0.788 0.000 1.111 98 R CA 1.312 57.101 56.100 -0.518 0.000 0.976 98 R CB 0.103 30.080 30.300 -0.538 0.000 0.870 98 R HN 0.130 nan 8.270 nan 0.000 0.445 99 F N 0.622 120.536 119.950 -0.061 0.000 2.531 99 F HA 0.392 4.919 4.527 -0.000 0.000 0.333 99 F C -1.668 174.066 175.800 -0.110 0.000 1.292 99 F CA -2.487 55.474 58.000 -0.065 0.000 1.184 99 F CB 1.881 40.864 39.000 -0.029 0.000 1.426 99 F HN -0.029 nan 8.300 nan 0.000 0.559 100 P HA -0.164 nan 4.420 nan 0.000 0.220 100 P C 0.769 178.047 177.300 -0.038 0.000 1.148 100 P CA 1.464 64.451 63.100 -0.187 0.000 0.803 100 P CB 0.459 32.048 31.700 -0.184 0.000 0.782 101 E N -0.436 119.774 120.200 0.017 0.000 2.489 101 E HA 0.172 4.522 4.350 -0.000 0.000 0.193 101 E C 0.851 177.464 176.600 0.022 0.000 1.057 101 E CA -0.053 56.358 56.400 0.018 0.000 0.866 101 E CB -0.011 29.691 29.700 0.004 0.000 0.916 101 E HN 0.177 nan 8.360 nan 0.000 0.500 102 A N 3.299 126.153 122.820 0.055 0.000 2.309 102 A HA 0.423 4.743 4.320 -0.000 0.000 0.290 102 A C -2.341 175.290 177.584 0.078 0.000 1.206 102 A CA -1.389 50.669 52.037 0.036 0.000 0.850 102 A CB 0.199 19.215 19.000 0.028 0.000 1.118 102 A HN -0.142 nan 8.150 nan 0.000 0.523 103 P HA 0.272 nan 4.420 nan 0.000 0.272 103 P C -0.658 176.688 177.300 0.076 0.000 1.230 103 P CA 0.002 63.137 63.100 0.059 0.000 0.788 103 P CB 0.486 32.252 31.700 0.110 0.000 0.949 104 I N 1.902 122.388 120.570 -0.141 0.000 2.321 104 I HA 0.252 4.421 4.170 -0.000 0.000 0.291 104 I C -0.310 175.800 176.117 -0.011 0.000 0.998 104 I CA -0.566 60.690 61.300 -0.074 0.000 1.227 104 I CB 0.377 38.175 38.000 -0.336 0.000 1.368 104 I HN 0.276 nan 8.210 nan 0.000 0.466 105 Y N 6.108 126.424 120.300 0.026 0.000 2.353 105 Y HA 0.505 5.055 4.550 -0.000 0.000 0.340 105 Y C 0.415 176.271 175.900 -0.074 0.000 0.972 105 Y CA -0.380 57.689 58.100 -0.052 0.000 1.157 105 Y CB 1.291 39.704 38.460 -0.079 0.000 1.157 105 Y HN 0.743 nan 8.280 nan 0.000 0.495 106 C N -0.440 118.858 119.300 -0.002 0.000 3.295 106 C HA 0.707 5.167 4.460 -0.000 0.000 0.341 106 C C 0.119 175.078 174.990 -0.053 0.000 1.418 106 C CA -1.045 57.977 59.018 0.007 0.000 1.240 106 C CB 0.888 28.694 27.740 0.110 0.000 1.562 106 C HN 0.844 nan 8.230 nan 0.000 0.457 107 T N -1.714 112.828 114.554 -0.020 0.000 2.860 107 T HA 0.252 4.602 4.350 -0.000 0.000 0.299 107 T C 0.817 175.495 174.700 -0.036 0.000 1.045 107 T CA 0.777 62.861 62.100 -0.027 0.000 1.071 107 T CB 0.825 69.696 68.868 0.005 0.000 0.985 107 T HN 1.002 nan 8.240 nan 0.000 0.537 108 E N 0.452 120.624 120.200 -0.046 0.000 2.097 108 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 108 E C 1.914 178.473 176.600 -0.067 0.000 1.000 108 E CA 1.297 57.658 56.400 -0.065 0.000 0.804 108 E CB -0.221 29.448 29.700 -0.053 0.000 0.740 108 E HN 0.575 nan 8.360 nan 0.000 0.454 109 V N 0.987 120.879 119.914 -0.036 0.000 2.407 109 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 109 V C 2.375 178.457 176.094 -0.020 0.000 1.055 109 V CA 1.721 64.007 62.300 -0.024 0.000 1.049 109 V CB -0.687 31.138 31.823 0.003 0.000 0.662 109 V HN 0.452 nan 8.190 nan 0.000 0.455 110 A N -0.376 122.440 122.820 -0.006 0.000 2.019 110 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 110 A C 2.374 179.936 177.584 -0.036 0.000 1.164 110 A CA 1.752 53.800 52.037 0.018 0.000 0.644 110 A CB -0.513 18.524 19.000 0.060 0.000 0.805 110 A HN 0.350 nan 8.150 nan 0.000 0.449 111 V N 0.559 120.386 119.914 -0.145 0.000 2.295 111 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 111 V C 2.538 178.461 176.094 -0.285 0.000 1.049 111 V CA 2.172 64.241 62.300 -0.385 0.000 1.024 111 V CB -0.560 30.930 31.823 -0.555 0.000 0.648 111 V HN 0.453 nan 8.190 nan 0.000 0.447 112 K N 0.650 120.947 120.400 -0.171 0.000 2.032 112 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 112 K C 2.280 178.848 176.600 -0.054 0.000 1.048 112 K CA 1.645 57.866 56.287 -0.110 0.000 0.927 112 K CB -1.257 31.196 32.500 -0.078 0.000 0.712 112 K HN 0.528 nan 8.250 nan 0.000 0.441 113 G N 1.901 110.695 108.800 -0.010 0.000 2.491 113 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 113 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 113 G C 1.728 176.711 174.900 0.138 0.000 1.180 113 G CA 0.878 46.022 45.100 0.072 0.000 0.774 113 G HN 0.187 nan 8.290 nan 0.000 0.562 114 L N -0.064 121.218 121.223 0.099 0.000 2.083 114 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 114 L C 2.912 179.890 176.870 0.180 0.000 1.083 114 L CA 0.417 55.378 54.840 0.201 0.000 0.752 114 L CB -0.407 41.827 42.059 0.292 0.000 0.899 114 L HN 0.174 nan 8.230 nan 0.000 0.433 115 L N -0.291 120.964 121.223 0.052 0.000 2.056 115 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 115 L C 2.673 179.535 176.870 -0.014 0.000 1.078 115 L CA 1.061 55.919 54.840 0.030 0.000 0.749 115 L CB -0.388 41.639 42.059 -0.052 0.000 0.901 115 L HN 0.177 nan 8.230 nan 0.000 0.433 116 K N -0.309 120.055 120.400 -0.060 0.000 2.097 116 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 116 K C 1.971 178.421 176.600 -0.249 0.000 1.049 116 K CA 1.529 57.733 56.287 -0.137 0.000 0.933 116 K CB -0.129 32.274 32.500 -0.161 0.000 0.717 116 K HN 0.317 nan 8.250 nan 0.000 0.442 117 H N -2.106 116.750 119.070 -0.356 0.000 2.363 117 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 117 H C -0.138 174.778 175.328 -0.687 0.000 1.074 117 H CA 1.619 57.254 56.048 -0.688 0.000 1.354 117 H CB 0.146 29.153 29.762 -1.260 0.000 1.397 117 H HN 0.092 nan 8.280 nan 0.000 0.516 118 Y N -1.109 119.260 120.300 0.114 0.000 2.787 118 Y HA 0.287 4.837 4.550 -0.000 0.000 0.352 118 Y C -2.043 173.884 175.900 0.045 0.000 1.027 118 Y CA -3.129 55.007 58.100 0.060 0.000 1.219 118 Y CB 0.969 39.459 38.460 0.050 0.000 1.110 118 Y HN 0.044 nan 8.280 nan 0.000 0.614 119 P HA -0.205 nan 4.420 nan 0.000 0.218 119 P C 1.739 179.092 177.300 0.088 0.000 1.148 119 P CA 2.095 65.238 63.100 0.073 0.000 0.822 119 P CB 0.282 32.001 31.700 0.032 0.000 0.784 120 S N -0.452 115.308 115.700 0.100 0.000 2.419 120 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 120 S C 1.748 176.401 174.600 0.089 0.000 1.019 120 S CA 1.037 59.287 58.200 0.083 0.000 0.982 120 S CB -1.679 61.564 63.200 0.072 0.000 0.789 120 S HN 0.128 nan 8.310 nan 0.000 0.490 121 L N 2.040 123.330 121.223 0.111 0.000 2.622 121 L HA 0.060 4.400 4.340 -0.000 0.000 0.233 121 L C 2.675 179.641 176.870 0.159 0.000 1.156 121 L CA 0.511 55.399 54.840 0.081 0.000 0.866 121 L CB -0.521 41.631 42.059 0.155 0.000 0.980 121 L HN 0.532 nan 8.230 nan 0.000 0.448 122 R N 0.081 120.660 120.500 0.131 0.000 2.249 122 R HA -0.200 4.140 4.340 -0.000 0.000 0.230 122 R C 1.804 178.171 176.300 0.112 0.000 1.121 122 R CA 1.372 57.543 56.100 0.118 0.000 0.997 122 R CB -0.312 30.028 30.300 0.067 0.000 0.867 122 R HN 0.400 nan 8.270 nan 0.000 0.465 123 E N 1.894 122.148 120.200 0.090 0.000 2.166 123 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 123 E C 0.300 176.934 176.600 0.055 0.000 0.967 123 E CA 0.513 56.961 56.400 0.079 0.000 0.840 123 E CB 0.076 29.829 29.700 0.089 0.000 0.795 123 E HN 0.369 nan 8.360 nan 0.000 0.470 124 A N 1.847 124.633 122.820 -0.058 0.000 2.547 124 A HA -0.083 4.237 4.320 -0.000 0.000 0.233 124 A C 0.210 177.643 177.584 -0.252 0.000 1.067 124 A CA 0.249 52.083 52.037 -0.337 0.000 0.763 124 A CB 0.018 18.450 19.000 -0.946 0.000 1.007 124 A HN 0.356 nan 8.150 nan 0.000 0.506 125 E N 0.863 120.909 120.200 -0.257 0.000 2.152 125 E HA 0.410 4.760 4.350 -0.000 0.000 0.285 125 E C -1.501 174.900 176.600 -0.331 0.000 1.043 125 E CA -0.125 56.178 56.400 -0.160 0.000 0.839 125 E CB 0.215 29.878 29.700 -0.061 0.000 1.069 125 E HN 0.418 nan 8.360 nan 0.000 0.399 126 F N 3.754 123.649 119.950 -0.092 0.000 2.421 126 F HA 0.375 4.902 4.527 -0.000 0.000 0.337 126 F C 0.484 176.166 175.800 -0.197 0.000 1.105 126 F CA -0.805 57.115 58.000 -0.133 0.000 1.049 126 F CB 1.410 40.349 39.000 -0.103 0.000 1.139 126 F HN 0.294 nan 8.300 nan 0.000 0.479 127 M N 3.454 122.961 119.600 -0.155 0.000 2.006 127 M HA 0.167 4.647 4.480 -0.000 0.000 0.314 127 M C -0.258 175.868 176.300 -0.289 0.000 0.926 127 M CA -0.582 54.500 55.300 -0.364 0.000 0.906 127 M CB 1.104 33.121 32.600 -0.970 0.000 1.422 127 M HN 0.681 nan 8.290 nan 0.000 0.397 128 T N 1.259 115.733 114.554 -0.133 0.000 2.919 128 T HA 0.553 4.903 4.350 -0.000 0.000 0.302 128 T C 0.215 174.845 174.700 -0.117 0.000 1.031 128 T CA -0.587 61.449 62.100 -0.106 0.000 1.127 128 T CB 0.786 69.612 68.868 -0.069 0.000 0.952 128 T HN 0.495 nan 8.240 nan 0.000 0.540 129 V N 0.631 120.461 119.914 -0.140 0.000 2.914 129 V HA 0.905 5.025 4.120 -0.000 0.000 0.314 129 V C -0.559 175.502 176.094 -0.055 0.000 1.084 129 V CA -1.379 60.843 62.300 -0.130 0.000 0.963 129 V CB 1.620 33.198 31.823 -0.408 0.000 1.025 129 V HN 1.342 nan 8.190 nan 0.000 0.432 130 K N 0.723 121.135 120.400 0.020 0.000 2.395 130 K HA 0.614 4.934 4.320 -0.000 0.000 0.245 130 K C -0.338 176.322 176.600 0.099 0.000 1.017 130 K CA -0.536 55.777 56.287 0.043 0.000 0.852 130 K CB 1.861 34.378 32.500 0.027 0.000 1.311 130 K HN 0.623 nan 8.250 nan 0.000 0.452 131 T N 1.051 115.655 114.554 0.084 0.000 2.765 131 T HA 0.163 4.513 4.350 -0.000 0.000 0.275 131 T C 1.112 175.873 174.700 0.102 0.000 1.007 131 T CA 1.931 64.089 62.100 0.097 0.000 1.175 131 T CB -0.296 68.606 68.868 0.056 0.000 0.993 131 T HN 0.976 nan 8.240 nan 0.000 0.510 132 G N 3.432 112.308 108.800 0.125 0.000 2.175 132 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 132 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 132 G C -0.102 174.869 174.900 0.118 0.000 0.982 132 G CA -0.188 44.970 45.100 0.097 0.000 0.641 132 G HN 0.684 nan 8.290 nan 0.000 0.527 133 D N -0.011 120.505 120.400 0.195 0.000 2.372 133 D HA 0.536 5.176 4.640 -0.000 0.000 0.243 133 D C 0.361 176.826 176.300 0.276 0.000 1.121 133 D CA 0.174 54.322 54.000 0.247 0.000 0.898 133 D CB 1.810 42.786 40.800 0.293 0.000 1.202 133 D HN 0.166 nan 8.370 nan 0.000 0.428 134 V N 2.322 122.347 119.914 0.185 0.000 2.735 134 V HA 0.371 4.491 4.120 -0.000 0.000 0.310 134 V C -0.721 175.398 176.094 0.040 0.000 1.061 134 V CA -0.876 61.440 62.300 0.025 0.000 0.913 134 V CB 2.153 33.970 31.823 -0.010 0.000 1.005 134 V HN 0.288 nan 8.190 nan 0.000 0.428 135 L N 3.803 124.940 121.223 -0.143 0.000 2.319 135 L HA 0.634 4.974 4.340 -0.000 0.000 0.281 135 L C -0.704 176.021 176.870 -0.242 0.000 1.005 135 L CA -0.132 54.577 54.840 -0.217 0.000 0.828 135 L CB 1.476 43.291 42.059 -0.408 0.000 1.227 135 L HN 0.733 nan 8.230 nan 0.000 0.415 136 D N 3.927 124.222 120.400 -0.175 0.000 2.313 136 D HA 0.268 4.908 4.640 -0.000 0.000 0.239 136 D C 0.601 176.840 176.300 -0.102 0.000 1.142 136 D CA -0.012 53.921 54.000 -0.112 0.000 0.847 136 D CB 0.906 41.677 40.800 -0.049 0.000 1.082 136 D HN 0.627 nan 8.370 nan 0.000 0.480 137 L N 2.946 124.127 121.223 -0.070 0.000 2.554 137 L HA 0.377 4.717 4.340 -0.000 0.000 0.225 137 L C 0.964 177.852 176.870 0.030 0.000 1.104 137 L CA 0.143 54.986 54.840 0.004 0.000 0.866 137 L CB -0.140 41.922 42.059 0.004 0.000 1.047 137 L HN 0.717 nan 8.230 nan 0.000 0.468 138 G N -0.158 108.647 108.800 0.010 0.000 2.826 138 G HA2 0.148 4.108 3.960 -0.000 0.000 0.623 138 G HA3 0.148 4.108 3.960 -0.000 0.000 0.623 138 G C 0.610 175.516 174.900 0.010 0.000 1.127 138 G CA -0.254 44.855 45.100 0.016 0.000 1.165 138 G HN 0.437 nan 8.290 nan 0.000 0.504 139 G N 0.384 109.185 108.800 0.001 0.000 2.184 139 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 139 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 139 G C 0.343 175.239 174.900 -0.007 0.000 0.975 139 G CA 1.284 46.383 45.100 -0.001 0.000 0.642 139 G HN 1.230 nan 8.290 nan 0.000 0.536 140 K N 0.973 121.366 120.400 -0.012 0.000 2.545 140 K HA 0.521 4.841 4.320 -0.000 0.000 0.252 140 K C -0.325 176.245 176.600 -0.051 0.000 0.948 140 K CA 0.012 56.286 56.287 -0.021 0.000 0.827 140 K CB 1.863 34.359 32.500 -0.006 0.000 1.128 140 K HN 0.324 nan 8.250 nan 0.000 0.429 141 T N 0.815 115.330 114.554 -0.065 0.000 2.823 141 T HA 0.532 4.882 4.350 -0.000 0.000 0.279 141 T C -0.195 174.418 174.700 -0.146 0.000 0.998 141 T CA -0.845 61.191 62.100 -0.106 0.000 0.994 141 T CB 0.643 69.458 68.868 -0.088 0.000 0.960 141 T HN 0.314 nan 8.240 nan 0.000 0.448 142 L N 3.335 124.411 121.223 -0.246 0.000 2.272 142 L HA 0.473 4.813 4.340 -0.000 0.000 0.289 142 L C 0.341 176.884 176.870 -0.545 0.000 1.032 142 L CA -0.647 53.964 54.840 -0.382 0.000 0.810 142 L CB 1.604 43.357 42.059 -0.510 0.000 1.205 142 L HN 0.780 nan 8.230 nan 0.000 0.422 143 T N 2.904 117.203 114.554 -0.425 0.000 2.794 143 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 143 T C -0.453 174.043 174.700 -0.341 0.000 0.987 143 T CA -0.315 61.584 62.100 -0.335 0.000 0.993 143 T CB 0.640 69.437 68.868 -0.119 0.000 0.939 143 T HN 0.042 nan 8.240 nan 0.000 0.449 144 F N 2.795 122.785 119.950 0.067 0.000 2.404 144 F HA 0.626 5.153 4.527 -0.000 0.000 0.339 144 F C 0.001 175.853 175.800 0.087 0.000 1.105 144 F CA -1.344 56.711 58.000 0.091 0.000 1.087 144 F CB 1.056 40.111 39.000 0.090 0.000 1.143 144 F HN 0.234 nan 8.300 nan 0.000 0.491 145 L N 3.460 124.861 121.223 0.296 0.000 2.415 145 L HA 0.417 4.757 4.340 -0.000 0.000 0.268 145 L C -0.499 176.410 176.870 0.066 0.000 0.984 145 L CA -0.547 54.389 54.840 0.160 0.000 0.853 145 L CB 1.157 43.309 42.059 0.154 0.000 1.215 145 L HN 0.566 nan 8.230 nan 0.000 0.419 146 E N 2.220 122.442 120.200 0.036 0.000 2.452 146 E HA 0.235 4.585 4.350 -0.000 0.000 0.261 146 E C -0.117 176.407 176.600 -0.127 0.000 0.987 146 E CA 0.790 57.180 56.400 -0.018 0.000 0.926 146 E CB 0.499 30.197 29.700 -0.004 0.000 0.934 146 E HN 0.643 nan 8.360 nan 0.000 0.452 147 T N 0.183 114.649 114.554 -0.148 0.000 3.732 147 T HA 0.215 4.565 4.350 -0.000 0.000 0.234 147 T C -2.124 172.536 174.700 -0.067 0.000 1.146 147 T CA -1.403 60.560 62.100 -0.228 0.000 1.454 147 T CB 0.681 69.225 68.868 -0.538 0.000 0.910 147 T HN 0.202 nan 8.240 nan 0.000 0.640 148 P HA -0.043 nan 4.420 nan 0.000 0.215 148 P C 0.956 178.229 177.300 -0.046 0.000 1.153 148 P CA 0.721 63.823 63.100 0.003 0.000 0.853 148 P CB -0.142 31.544 31.700 -0.024 0.000 0.788 149 L N -1.997 119.141 121.223 -0.142 0.000 3.742 149 L HA -0.262 4.078 4.340 -0.000 0.000 0.431 149 L C 1.334 178.057 176.870 -0.246 0.000 1.220 149 L CA 0.279 54.973 54.840 -0.243 0.000 0.863 149 L CB -2.311 39.494 42.059 -0.424 0.000 1.751 149 L HN -0.018 nan 8.230 nan 0.000 0.922 150 L N -1.347 119.753 121.223 -0.205 0.000 3.419 150 L HA -0.415 3.925 4.340 -0.000 0.000 0.211 150 L C 1.652 178.344 176.870 -0.296 0.000 4.425 150 L CA 2.875 57.532 54.840 -0.304 0.000 0.584 150 L CB -0.899 40.890 42.059 -0.449 0.000 3.534 150 L HN 0.569 nan 8.230 nan 0.000 0.751 151 H N -2.733 116.327 119.070 -0.016 0.000 2.586 151 H HA 0.170 4.726 4.556 -0.000 0.000 0.273 151 H C -0.166 175.385 175.328 0.372 0.000 0.997 151 H CA 0.621 56.737 56.048 0.113 0.000 1.177 151 H CB 0.063 29.878 29.762 0.088 0.000 1.471 151 H HN 0.444 nan 8.280 nan 0.000 0.538 152 W N 1.592 122.926 121.300 0.057 0.000 1.770 152 W HA 0.342 5.002 4.660 -0.000 0.000 0.299 152 W C -2.093 174.442 176.519 0.028 0.000 0.803 152 W CA -2.967 54.411 57.345 0.054 0.000 2.429 152 W CB 0.284 29.774 29.460 0.051 0.000 2.381 152 W HN 0.055 nan 8.180 nan 0.000 0.496 153 P HA -0.147 nan 4.420 nan 0.000 0.223 153 P C 1.310 178.668 177.300 0.098 0.000 1.151 153 P CA 1.760 64.925 63.100 0.107 0.000 0.787 153 P CB 0.255 31.997 31.700 0.070 0.000 0.788 154 D N -1.782 118.691 120.400 0.122 0.000 2.349 154 D HA 0.017 4.657 4.640 -0.000 0.000 0.224 154 D C 0.169 176.546 176.300 0.129 0.000 1.029 154 D CA 0.267 54.330 54.000 0.105 0.000 0.879 154 D CB -0.226 40.637 40.800 0.106 0.000 0.906 154 D HN 0.028 nan 8.370 nan 0.000 0.528 155 S N 0.292 116.088 115.700 0.161 0.000 2.610 155 S HA 0.612 5.082 4.470 -0.000 0.000 0.273 155 S C 0.287 174.951 174.600 0.107 0.000 1.274 155 S CA -0.651 57.649 58.200 0.167 0.000 1.023 155 S CB 1.209 64.581 63.200 0.286 0.000 0.962 155 S HN 0.386 nan 8.310 nan 0.000 0.523 156 M N 0.588 120.261 119.600 0.122 0.000 2.578 156 M HA 0.651 5.131 4.480 -0.000 0.000 0.276 156 M C -1.939 174.560 176.300 0.331 0.000 1.245 156 M CA -0.848 54.529 55.300 0.129 0.000 0.871 156 M CB 1.134 33.832 32.600 0.164 0.000 1.722 156 M HN 0.277 nan 8.290 nan 0.000 0.473 157 F N 0.625 120.680 119.950 0.175 0.000 2.397 157 F HA 0.717 5.244 4.527 -0.000 0.000 0.331 157 F C 0.099 176.031 175.800 0.220 0.000 1.090 157 F CA -0.887 57.221 58.000 0.180 0.000 1.065 157 F CB 2.000 41.092 39.000 0.154 0.000 1.184 157 F HN 0.606 nan 8.300 nan 0.000 0.499 158 T N 3.986 118.784 114.554 0.406 0.000 2.809 158 T HA 0.487 4.837 4.350 -0.000 0.000 0.284 158 T C -1.013 173.820 174.700 0.220 0.000 0.992 158 T CA -0.450 61.798 62.100 0.247 0.000 0.957 158 T CB 1.458 70.451 68.868 0.208 0.000 0.942 158 T HN 0.352 nan 8.240 nan 0.000 0.439 159 L N 4.233 125.496 121.223 0.067 0.000 2.282 159 L HA 0.681 5.021 4.340 -0.000 0.000 0.288 159 L C -1.025 175.844 176.870 -0.000 0.000 1.033 159 L CA -0.986 53.870 54.840 0.026 0.000 0.807 159 L CB 1.109 43.165 42.059 -0.006 0.000 1.209 159 L HN 0.561 nan 8.230 nan 0.000 0.423 160 L N 4.541 125.784 121.223 0.034 0.000 2.255 160 L HA 0.400 4.740 4.340 -0.000 0.000 0.289 160 L C 0.497 177.341 176.870 -0.042 0.000 1.046 160 L CA 0.331 55.187 54.840 0.028 0.000 0.816 160 L CB 0.750 42.897 42.059 0.148 0.000 1.197 160 L HN 0.704 nan 8.230 nan 0.000 0.427 161 D N 1.514 121.884 120.400 -0.050 0.000 2.103 161 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 161 D C 1.351 177.620 176.300 -0.053 0.000 0.978 161 D CA 1.319 55.285 54.000 -0.056 0.000 0.829 161 D CB 0.362 41.131 40.800 -0.053 0.000 0.981 161 D HN 0.571 nan 8.370 nan 0.000 0.464 162 E N 0.625 120.800 120.200 -0.042 0.000 2.107 162 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 162 E C 1.200 177.773 176.600 -0.044 0.000 0.982 162 E CA 0.960 57.337 56.400 -0.037 0.000 0.809 162 E CB -0.218 29.466 29.700 -0.026 0.000 0.756 162 E HN 0.386 nan 8.360 nan 0.000 0.459 163 D N -0.696 119.675 120.400 -0.049 0.000 2.305 163 D HA 0.119 4.759 4.640 -0.000 0.000 0.206 163 D C 0.983 177.224 176.300 -0.098 0.000 0.974 163 D CA 0.945 54.906 54.000 -0.066 0.000 0.871 163 D CB 0.260 41.025 40.800 -0.059 0.000 0.947 163 D HN 0.261 nan 8.370 nan 0.000 0.516 164 G N 0.801 109.537 108.800 -0.107 0.000 2.182 164 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 164 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 164 G C -0.015 174.765 174.900 -0.201 0.000 1.042 164 G CA -0.270 44.749 45.100 -0.135 0.000 0.775 164 G HN 0.337 nan 8.290 nan 0.000 0.501 165 I N 0.234 120.653 120.570 -0.252 0.000 2.321 165 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 165 I C 0.295 176.092 176.117 -0.534 0.000 0.998 165 I CA -1.029 60.000 61.300 -0.451 0.000 1.227 165 I CB 1.478 39.116 38.000 -0.604 0.000 1.368 165 I HN 0.096 nan 8.210 nan 0.000 0.466 166 L N 8.095 129.011 121.223 -0.512 0.000 2.260 166 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 166 L C -0.981 175.563 176.870 -0.542 0.000 1.057 166 L CA 0.252 54.839 54.840 -0.422 0.000 0.811 166 L CB 0.095 41.939 42.059 -0.359 0.000 1.184 166 L HN 0.249 nan 8.230 nan 0.000 0.429 167 F N 3.717 123.549 119.950 -0.197 0.000 2.368 167 F HA 0.237 4.764 4.527 -0.000 0.000 0.362 167 F C 1.277 176.997 175.800 -0.133 0.000 1.137 167 F CA -0.216 57.678 58.000 -0.177 0.000 1.161 167 F CB 0.582 39.510 39.000 -0.120 0.000 1.265 167 F HN 0.647 nan 8.300 nan 0.000 0.530 168 S N 1.845 117.494 115.700 -0.085 0.000 2.573 168 S HA 0.160 4.630 4.470 -0.000 0.000 0.244 168 S C 0.635 175.254 174.600 0.033 0.000 0.984 168 S CA -0.204 57.765 58.200 -0.386 0.000 1.001 168 S CB -1.218 61.781 63.200 -0.336 0.000 0.788 168 S HN 0.821 nan 8.310 nan 0.000 0.456 169 N N 2.128 120.888 118.700 0.100 0.000 1.133 169 N HA -0.344 4.396 4.740 -0.000 0.000 0.111 169 N C -0.088 175.462 175.510 0.067 0.000 0.713 169 N CA 1.958 54.927 53.050 -0.134 0.000 0.831 169 N CB -1.584 36.529 38.487 -0.623 0.000 1.095 169 N HN 0.168 nan 8.380 nan 0.000 0.648 170 D N -0.157 120.315 120.400 0.121 0.000 2.312 170 D HA 0.255 4.895 4.640 -0.000 0.000 0.211 170 D C 0.427 177.025 176.300 0.497 0.000 0.964 170 D CA 1.185 55.421 54.000 0.394 0.000 0.877 170 D CB -0.602 40.451 40.800 0.421 0.000 0.924 170 D HN 0.805 nan 8.370 nan 0.000 0.515 171 A N -0.081 123.028 122.820 0.482 0.000 2.540 171 A HA 0.199 4.519 4.320 -0.000 0.000 0.239 171 A C 0.036 177.583 177.584 -0.062 0.000 1.061 171 A CA -0.118 52.017 52.037 0.163 0.000 0.758 171 A CB -0.484 18.519 19.000 0.006 0.000 0.991 171 A HN 0.275 nan 8.150 nan 0.000 0.502 172 F N -0.579 119.455 119.950 0.139 0.000 2.914 172 F HA -0.221 4.306 4.527 -0.000 0.000 0.304 172 F C 1.226 177.099 175.800 0.122 0.000 0.712 172 F CA 0.661 58.620 58.000 -0.069 0.000 1.211 172 F CB -1.921 36.876 39.000 -0.338 0.000 1.515 172 F HN 0.881 nan 8.300 nan 0.000 0.350 173 G N -0.255 108.487 108.800 -0.097 0.000 2.572 173 G HA2 0.584 4.544 3.960 -0.000 0.000 0.261 173 G HA3 0.584 4.544 3.960 -0.000 0.000 0.261 173 G C -0.407 174.005 174.900 -0.813 0.000 1.197 173 G CA -0.323 44.494 45.100 -0.472 0.000 0.870 173 G HN 0.224 nan 8.290 nan 0.000 0.548 174 Q N -0.673 118.877 119.800 -0.418 0.000 2.379 174 Q HA 0.336 4.676 4.340 -0.000 0.000 0.278 174 Q C -1.141 174.836 176.000 -0.038 0.000 1.068 174 Q CA -0.839 54.886 55.803 -0.129 0.000 0.816 174 Q CB 1.795 30.598 28.738 0.109 0.000 1.387 174 Q HN 0.558 nan 8.270 nan 0.000 0.413 175 H N 1.994 121.233 119.070 0.282 0.000 3.014 175 H HA 0.407 4.963 4.556 -0.000 0.000 0.266 175 H C -0.848 174.558 175.328 0.130 0.000 1.455 175 H CA 0.074 56.233 56.048 0.185 0.000 1.402 175 H CB -0.307 29.562 29.762 0.177 0.000 1.626 175 H HN 0.401 nan 8.280 nan 0.000 0.520 176 L N 1.303 122.621 121.223 0.159 0.000 2.401 176 L HA 0.328 4.668 4.340 -0.000 0.000 0.266 176 L C -0.345 176.502 176.870 -0.039 0.000 0.991 176 L CA -0.733 54.145 54.840 0.063 0.000 0.818 176 L CB 2.796 44.870 42.059 0.024 0.000 1.321 176 L HN 0.431 nan 8.230 nan 0.000 0.413 177 C N 2.926 122.169 119.300 -0.094 0.000 2.521 177 C HA 0.695 5.155 4.460 -0.000 0.000 0.291 177 C C -0.101 174.716 174.990 -0.289 0.000 1.074 177 C CA -0.606 58.243 59.018 -0.282 0.000 1.495 177 C CB -1.094 26.417 27.740 -0.382 0.000 1.862 177 C HN 0.868 nan 8.230 nan 0.000 0.418 178 C N 5.835 124.977 119.300 -0.264 0.000 2.562 178 C HA 0.566 5.026 4.460 -0.000 0.000 0.332 178 C C -0.949 173.931 174.990 -0.184 0.000 1.201 178 C CA -0.841 58.091 59.018 -0.142 0.000 1.803 178 C CB 1.740 29.418 27.740 -0.102 0.000 2.328 178 C HN 0.644 nan 8.230 nan 0.000 0.500 179 P HA -0.032 nan 4.420 nan 0.000 0.219 179 P C -0.218 177.019 177.300 -0.104 0.000 1.150 179 P CA 1.073 64.179 63.100 0.010 0.000 0.814 179 P CB 0.094 31.869 31.700 0.124 0.000 0.787 180 Q N -0.373 119.362 119.800 -0.109 0.000 2.327 180 Q HA 0.198 4.538 4.340 -0.000 0.000 0.254 180 Q C 1.267 177.115 176.000 -0.253 0.000 0.952 180 Q CA 0.238 55.951 55.803 -0.149 0.000 0.884 180 Q CB 0.571 29.247 28.738 -0.103 0.000 1.224 180 Q HN -0.007 nan 8.270 nan 0.000 0.422 181 R N 1.256 121.582 120.500 -0.291 0.000 2.254 181 R HA 0.256 4.596 4.340 -0.000 0.000 0.193 181 R C -0.072 176.041 176.300 -0.312 0.000 0.929 181 R CA 0.284 56.138 56.100 -0.410 0.000 1.038 181 R CB 0.215 30.227 30.300 -0.479 0.000 1.009 181 R HN 0.513 nan 8.270 nan 0.000 0.512 182 L N 1.725 122.805 121.223 -0.238 0.000 2.334 182 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 182 L C 1.262 177.980 176.870 -0.253 0.000 1.020 182 L CA -0.794 53.912 54.840 -0.223 0.000 0.812 182 L CB 1.427 43.394 42.059 -0.154 0.000 1.264 182 L HN -0.032 nan 8.230 nan 0.000 0.439 183 D N 1.496 121.697 120.400 -0.332 0.000 2.149 183 D HA -0.257 4.383 4.640 -0.000 0.000 0.198 183 D C 1.514 177.691 176.300 -0.204 0.000 0.990 183 D CA 1.579 55.338 54.000 -0.401 0.000 0.839 183 D CB -0.143 40.314 40.800 -0.573 0.000 0.948 183 D HN 0.663 nan 8.370 nan 0.000 0.460 184 R N 0.249 120.672 120.500 -0.130 0.000 2.313 184 R HA 0.191 4.531 4.340 -0.000 0.000 0.199 184 R C 1.258 177.521 176.300 -0.061 0.000 0.958 184 R CA 0.358 56.417 56.100 -0.068 0.000 1.047 184 R CB -0.296 29.978 30.300 -0.044 0.000 0.955 184 R HN 0.146 nan 8.270 nan 0.000 0.481 185 E N 1.231 121.380 120.200 -0.084 0.000 2.472 185 E HA 0.151 4.501 4.350 -0.000 0.000 0.196 185 E C 0.554 177.122 176.600 -0.052 0.000 1.033 185 E CA 0.012 56.372 56.400 -0.066 0.000 0.886 185 E CB 0.344 29.994 29.700 -0.082 0.000 0.944 185 E HN 0.504 nan 8.360 nan 0.000 0.492 186 I N -2.640 117.895 120.570 -0.058 0.000 3.067 186 I HA 0.564 4.734 4.170 -0.000 0.000 0.312 186 I C -2.685 173.433 176.117 0.001 0.000 1.073 186 I CA -3.151 58.131 61.300 -0.030 0.000 1.016 186 I CB 1.251 39.223 38.000 -0.047 0.000 1.227 186 I HN -0.339 nan 8.210 nan 0.000 0.456 187 P HA 0.101 nan 4.420 nan 0.000 0.271 187 P C 0.295 177.650 177.300 0.092 0.000 1.216 187 P CA -0.117 63.026 63.100 0.072 0.000 0.771 187 P CB 0.724 32.484 31.700 0.100 0.000 0.864 188 E N 2.301 122.563 120.200 0.102 0.000 2.077 188 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 188 E C 1.352 178.036 176.600 0.139 0.000 0.989 188 E CA 1.441 57.906 56.400 0.109 0.000 0.800 188 E CB -0.276 29.489 29.700 0.109 0.000 0.746 188 E HN 0.557 nan 8.360 nan 0.000 0.452 189 Y N 1.219 121.571 120.300 0.088 0.000 2.081 189 Y HA -0.250 4.300 4.550 -0.000 0.000 0.280 189 Y C 2.271 178.243 175.900 0.120 0.000 1.163 189 Y CA 2.204 60.367 58.100 0.105 0.000 1.135 189 Y CB -0.341 38.170 38.460 0.085 0.000 0.970 189 Y HN -0.006 nan 8.280 nan 0.000 0.498 190 I N -0.734 119.965 120.570 0.214 0.000 2.127 190 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 190 I C 2.363 178.518 176.117 0.064 0.000 1.075 190 I CA 1.373 62.761 61.300 0.148 0.000 1.334 190 I CB -0.628 37.469 38.000 0.161 0.000 1.040 190 I HN 0.320 nan 8.210 nan 0.000 0.405 191 L N 0.317 121.573 121.223 0.055 0.000 1.997 191 L HA -0.274 4.066 4.340 -0.000 0.000 0.216 191 L C 2.418 179.387 176.870 0.166 0.000 1.074 191 L CA 2.147 57.016 54.840 0.048 0.000 0.763 191 L CB -0.486 41.563 42.059 -0.016 0.000 0.890 191 L HN 0.165 nan 8.230 nan 0.000 0.434 192 M N -1.246 118.451 119.600 0.161 0.000 2.200 192 M HA -0.137 4.343 4.480 -0.000 0.000 0.265 192 M C 2.068 178.480 176.300 0.187 0.000 1.066 192 M CA 1.445 56.899 55.300 0.256 0.000 1.127 192 M CB -1.470 31.250 32.600 0.201 0.000 1.379 192 M HN 0.332 nan 8.290 nan 0.000 0.420 193 D N 0.432 120.801 120.400 -0.051 0.000 2.117 193 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 193 D C 1.927 178.288 176.300 0.102 0.000 0.987 193 D CA 1.578 55.535 54.000 -0.072 0.000 0.829 193 D CB 0.195 40.815 40.800 -0.300 0.000 0.961 193 D HN 0.276 nan 8.370 nan 0.000 0.460 194 A N 0.312 123.226 122.820 0.157 0.000 1.930 194 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 194 A C 2.303 180.094 177.584 0.345 0.000 1.175 194 A CA 1.959 54.150 52.037 0.256 0.000 0.627 194 A CB -0.876 18.261 19.000 0.229 0.000 0.815 194 A HN 0.280 nan 8.150 nan 0.000 0.443 195 A N -0.166 122.879 122.820 0.376 0.000 1.898 195 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 195 A C 2.239 180.026 177.584 0.339 0.000 1.181 195 A CA 1.695 54.047 52.037 0.524 0.000 0.620 195 A CB -0.510 18.945 19.000 0.759 0.000 0.819 195 A HN 0.567 nan 8.150 nan 0.000 0.442 196 R N -0.114 120.454 120.500 0.113 0.000 2.083 196 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 196 R C 2.282 178.465 176.300 -0.195 0.000 1.137 196 R CA 2.051 57.897 56.100 -0.424 0.000 0.951 196 R CB -0.292 29.959 30.300 -0.082 0.000 0.851 196 R HN 0.515 nan 8.270 nan 0.000 0.434 197 K N -0.583 119.860 120.400 0.073 0.000 2.057 197 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 197 K C 1.978 178.763 176.600 0.309 0.000 1.050 197 K CA 1.518 57.886 56.287 0.134 0.000 0.935 197 K CB -0.223 32.374 32.500 0.162 0.000 0.715 197 K HN 0.159 nan 8.250 nan 0.000 0.439 198 F N 0.338 120.471 119.950 0.306 0.000 2.102 198 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 198 F C 2.173 178.077 175.800 0.173 0.000 1.105 198 F CA 1.628 59.828 58.000 0.334 0.000 1.239 198 F CB -0.340 38.817 39.000 0.262 0.000 0.991 198 F HN 0.101 nan 8.300 nan 0.000 0.474 199 Y N 0.282 120.673 120.300 0.152 0.000 2.145 199 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 199 Y C 2.395 178.163 175.900 -0.219 0.000 1.145 199 Y CA 1.680 59.682 58.100 -0.164 0.000 1.148 199 Y CB -0.715 37.400 38.460 -0.575 0.000 0.981 199 Y HN 0.089 nan 8.280 nan 0.000 0.507 200 A N 0.366 123.184 122.820 -0.004 0.000 1.908 200 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 200 A C 2.041 179.573 177.584 -0.087 0.000 1.181 200 A CA 2.082 54.124 52.037 0.008 0.000 0.627 200 A CB -0.733 18.304 19.000 0.061 0.000 0.818 200 A HN 0.629 nan 8.150 nan 0.000 0.445 201 N N -0.945 117.740 118.700 -0.024 0.000 2.368 201 N HA 0.099 4.839 4.740 -0.000 0.000 0.176 201 N C 1.406 176.862 175.510 -0.091 0.000 1.021 201 N CA 0.990 54.041 53.050 0.003 0.000 0.888 201 N CB 0.104 38.727 38.487 0.226 0.000 0.995 201 N HN 0.441 nan 8.380 nan 0.000 0.437 202 L N 0.100 121.226 121.223 -0.162 0.000 2.672 202 L HA 0.256 4.596 4.340 -0.000 0.000 0.236 202 L C 1.462 178.222 176.870 -0.183 0.000 1.092 202 L CA 0.167 54.911 54.840 -0.161 0.000 0.887 202 L CB 0.426 42.295 42.059 -0.317 0.000 1.168 202 L HN 0.017 nan 8.230 nan 0.000 0.502 203 I N -2.333 117.965 120.570 -0.454 0.000 4.244 203 I HA 0.035 4.205 4.170 -0.000 0.000 0.318 203 I C 2.134 177.791 176.117 -0.766 0.000 1.282 203 I CA 0.446 61.301 61.300 -0.741 0.000 1.276 203 I CB -0.895 36.320 38.000 -1.308 0.000 1.183 203 I HN 0.007 nan 8.210 nan 0.000 0.431 204 T N 3.963 118.114 114.554 -0.671 0.000 2.635 204 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 204 T C -0.405 174.066 174.700 -0.382 0.000 1.058 204 T CA 2.400 64.228 62.100 -0.453 0.000 1.162 204 T CB -1.647 66.796 68.868 -0.708 0.000 0.859 204 T HN 0.298 nan 8.240 nan 0.000 0.449 205 P HA 0.077 nan 4.420 nan 0.000 0.230 205 P C 0.942 178.109 177.300 -0.220 0.000 1.158 205 P CA 0.869 63.809 63.100 -0.267 0.000 0.769 205 P CB -0.316 31.247 31.700 -0.228 0.000 0.807 206 L N -1.365 119.683 121.223 -0.291 0.000 2.653 206 L HA 0.196 4.536 4.340 -0.000 0.000 0.231 206 L C 2.138 178.851 176.870 -0.262 0.000 1.153 206 L CA -0.014 54.644 54.840 -0.303 0.000 0.933 206 L CB -0.609 41.173 42.059 -0.462 0.000 1.175 206 L HN -0.149 nan 8.230 nan 0.000 0.473 207 S N 0.895 116.477 115.700 -0.197 0.000 2.365 207 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 207 S C 1.963 176.494 174.600 -0.116 0.000 1.039 207 S CA 1.623 59.764 58.200 -0.098 0.000 1.033 207 S CB -0.084 63.116 63.200 -0.001 0.000 0.887 207 S HN 0.451 nan 8.310 nan 0.000 0.447 208 K N 0.855 121.188 120.400 -0.111 0.000 2.147 208 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 208 K C 1.968 178.497 176.600 -0.119 0.000 1.049 208 K CA 0.964 57.191 56.287 -0.099 0.000 0.936 208 K CB -0.343 32.108 32.500 -0.081 0.000 0.722 208 K HN 0.310 nan 8.250 nan 0.000 0.446 209 L N 0.240 121.374 121.223 -0.149 0.000 2.072 209 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 209 L C 2.289 179.054 176.870 -0.175 0.000 1.079 209 L CA 0.599 55.344 54.840 -0.159 0.000 0.752 209 L CB -0.593 41.352 42.059 -0.191 0.000 0.906 209 L HN -0.057 nan 8.230 nan 0.000 0.436 210 V N 0.662 120.439 119.914 -0.228 0.000 2.250 210 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 210 V C 2.493 178.349 176.094 -0.397 0.000 1.060 210 V CA 2.103 64.222 62.300 -0.300 0.000 1.030 210 V CB -0.483 31.155 31.823 -0.309 0.000 0.643 210 V HN 0.351 nan 8.190 nan 0.000 0.445 211 L N -0.738 120.296 121.223 -0.316 0.000 2.042 211 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 211 L C 2.569 179.416 176.870 -0.039 0.000 1.076 211 L CA 1.784 56.501 54.840 -0.205 0.000 0.749 211 L CB -0.711 41.279 42.059 -0.114 0.000 0.893 211 L HN 0.306 nan 8.230 nan 0.000 0.432 212 K N -0.015 120.357 120.400 -0.048 0.000 2.097 212 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 212 K C 2.192 178.816 176.600 0.041 0.000 1.049 212 K CA 1.155 57.439 56.287 -0.006 0.000 0.933 212 K CB -0.081 32.397 32.500 -0.036 0.000 0.717 212 K HN -0.022 nan 8.250 nan 0.000 0.442 213 K N 0.696 121.122 120.400 0.044 0.000 2.057 213 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 213 K C 1.730 178.523 176.600 0.321 0.000 1.050 213 K CA 1.284 57.646 56.287 0.125 0.000 0.935 213 K CB -0.265 32.283 32.500 0.080 0.000 0.715 213 K HN -0.055 nan 8.250 nan 0.000 0.439 214 F N 1.801 121.801 119.950 0.083 0.000 2.126 214 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 214 F C 1.913 177.748 175.800 0.059 0.000 1.096 214 F CA 1.416 59.476 58.000 0.099 0.000 1.255 214 F CB -0.944 38.119 39.000 0.105 0.000 0.997 214 F HN 0.146 nan 8.300 nan 0.000 0.479 215 D N -0.126 120.419 120.400 0.241 0.000 2.123 215 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 215 D C 2.245 178.600 176.300 0.091 0.000 0.992 215 D CA 1.321 55.397 54.000 0.127 0.000 0.833 215 D CB -0.450 40.400 40.800 0.083 0.000 0.954 215 D HN 0.404 nan 8.370 nan 0.000 0.455 216 E N 0.473 120.729 120.200 0.093 0.000 2.110 216 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 216 E C 2.104 178.745 176.600 0.069 0.000 0.988 216 E CA 0.618 57.058 56.400 0.066 0.000 0.804 216 E CB 0.196 29.928 29.700 0.052 0.000 0.745 216 E HN 0.006 nan 8.360 nan 0.000 0.458 217 V N 1.641 121.613 119.914 0.096 0.000 2.343 217 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 217 V C 2.516 178.628 176.094 0.030 0.000 1.051 217 V CA 1.640 63.985 62.300 0.075 0.000 1.036 217 V CB -0.446 31.429 31.823 0.087 0.000 0.654 217 V HN 0.205 nan 8.190 nan 0.000 0.451 218 K N -0.194 120.222 120.400 0.028 0.000 2.057 218 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 218 K C 2.186 178.793 176.600 0.012 0.000 1.049 218 K CA 1.517 57.809 56.287 0.008 0.000 0.931 218 K CB -0.178 32.333 32.500 0.018 0.000 0.714 218 K HN 0.404 nan 8.250 nan 0.000 0.440 219 E N 0.768 120.982 120.200 0.024 0.000 2.204 219 E HA -0.048 4.301 4.350 -0.000 0.000 0.194 219 E C 1.651 178.260 176.600 0.015 0.000 0.989 219 E CA 0.653 57.064 56.400 0.019 0.000 0.824 219 E CB 0.009 29.723 29.700 0.024 0.000 0.756 219 E HN 0.204 nan 8.360 nan 0.000 0.477 220 L N -1.187 120.047 121.223 0.019 0.000 2.591 220 L HA 0.235 4.575 4.340 -0.000 0.000 0.228 220 L C 1.094 177.967 176.870 0.006 0.000 1.133 220 L CA 0.258 55.108 54.840 0.016 0.000 0.880 220 L CB -0.044 42.031 42.059 0.027 0.000 1.033 220 L HN 0.280 nan 8.230 nan 0.000 0.450 221 G N 0.813 109.612 108.800 -0.001 0.000 2.314 221 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.292 221 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.292 221 G C 0.441 175.329 174.900 -0.021 0.000 1.059 221 G CA 0.357 45.449 45.100 -0.013 0.000 0.982 221 G HN 0.377 nan 8.290 nan 0.000 0.505 222 L N -0.811 120.399 121.223 -0.023 0.000 2.642 222 L HA 0.333 4.673 4.340 -0.000 0.000 0.233 222 L C 2.498 179.330 176.870 -0.063 0.000 1.077 222 L CA -0.236 54.584 54.840 -0.033 0.000 0.879 222 L CB -0.225 41.829 42.059 -0.009 0.000 1.151 222 L HN 0.341 nan 8.230 nan 0.000 0.495 223 L N 1.472 122.652 121.223 -0.072 0.000 2.141 223 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 223 L C 2.284 179.083 176.870 -0.119 0.000 1.094 223 L CA 2.006 56.776 54.840 -0.117 0.000 0.763 223 L CB -0.366 41.620 42.059 -0.122 0.000 0.908 223 L HN 0.489 nan 8.230 nan 0.000 0.437 224 E N -0.139 120.008 120.200 -0.088 0.000 2.204 224 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 224 E C 1.488 178.037 176.600 -0.086 0.000 0.990 224 E CA 0.918 57.269 56.400 -0.081 0.000 0.821 224 E CB -0.242 29.422 29.700 -0.060 0.000 0.750 224 E HN 0.469 nan 8.360 nan 0.000 0.477 225 R N 0.632 121.079 120.500 -0.088 0.000 2.388 225 R HA 0.309 4.649 4.340 -0.000 0.000 0.247 225 R C 0.079 176.309 176.300 -0.118 0.000 0.931 225 R CA -0.110 55.936 56.100 -0.090 0.000 1.082 225 R CB 0.255 30.511 30.300 -0.075 0.000 1.135 225 R HN 0.127 nan 8.270 nan 0.000 0.525 226 I N 1.636 122.120 120.570 -0.144 0.000 2.322 226 I HA 0.034 4.204 4.170 -0.000 0.000 0.292 226 I C 0.960 176.967 176.117 -0.183 0.000 1.060 226 I CA 0.193 61.380 61.300 -0.188 0.000 1.309 226 I CB 1.346 39.203 38.000 -0.239 0.000 1.415 226 I HN 0.159 nan 8.210 nan 0.000 0.492 227 Q N 5.613 125.308 119.800 -0.175 0.000 2.378 227 Q HA 0.334 4.674 4.340 -0.000 0.000 0.216 227 Q C 0.157 176.060 176.000 -0.162 0.000 0.892 227 Q CA 0.406 56.119 55.803 -0.150 0.000 0.931 227 Q CB 1.161 29.824 28.738 -0.126 0.000 1.086 227 Q HN 0.668 nan 8.270 nan 0.000 0.528 228 M N 0.543 120.018 119.600 -0.209 0.000 2.373 228 M HA 0.386 4.866 4.480 -0.000 0.000 0.290 228 M C -2.139 173.986 176.300 -0.291 0.000 1.143 228 M CA -0.363 54.811 55.300 -0.210 0.000 0.949 228 M CB 1.929 34.407 32.600 -0.204 0.000 1.756 228 M HN -0.075 nan 8.290 nan 0.000 0.494 229 I N 3.712 124.145 120.570 -0.227 0.000 2.362 229 I HA 0.617 4.787 4.170 -0.000 0.000 0.289 229 I C -0.248 175.798 176.117 -0.119 0.000 0.994 229 I CA -0.556 60.589 61.300 -0.258 0.000 1.158 229 I CB 2.040 39.806 38.000 -0.390 0.000 1.315 229 I HN 0.791 nan 8.210 nan 0.000 0.451 230 A N 9.127 131.784 122.820 -0.272 0.000 2.511 230 A HA 0.651 4.971 4.320 -0.000 0.000 0.340 230 A C -2.541 175.071 177.584 0.047 0.000 1.396 230 A CA -1.466 50.448 52.037 -0.206 0.000 0.887 230 A CB -0.135 18.402 19.000 -0.770 0.000 1.145 230 A HN 0.344 nan 8.150 nan 0.000 0.497 231 P HA 0.262 nan 4.420 nan 0.000 0.282 231 P C 0.575 178.087 177.300 0.353 0.000 1.287 231 P CA -0.264 62.995 63.100 0.265 0.000 0.792 231 P CB 1.059 32.917 31.700 0.263 0.000 1.163 232 S N -2.290 113.560 115.700 0.249 0.000 2.558 232 S HA 0.069 4.539 4.470 -0.000 0.000 0.217 232 S C 0.365 174.977 174.600 0.019 0.000 0.975 232 S CA 0.322 58.620 58.200 0.164 0.000 0.912 232 S CB -0.500 62.654 63.200 -0.077 0.000 0.776 232 S HN 0.466 nan 8.310 nan 0.000 0.526 233 H N -0.316 118.914 119.070 0.266 0.000 2.771 233 H HA 0.506 5.062 4.556 -0.000 0.000 0.361 233 H C 0.674 176.025 175.328 0.038 0.000 1.108 233 H CA 0.087 56.238 56.048 0.173 0.000 1.201 233 H CB 1.445 31.279 29.762 0.119 0.000 1.681 233 H HN 0.315 nan 8.280 nan 0.000 0.534 234 G N 2.399 111.277 108.800 0.129 0.000 2.512 234 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.240 234 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.240 234 G C -0.675 174.166 174.900 -0.098 0.000 1.246 234 G CA -0.642 44.453 45.100 -0.008 0.000 0.919 234 G HN 0.512 nan 8.290 nan 0.000 0.577 235 Q N -0.110 119.558 119.800 -0.221 0.000 2.260 235 Q HA 0.645 4.985 4.340 -0.000 0.000 0.242 235 Q C 0.583 176.348 176.000 -0.392 0.000 0.932 235 Q CA -0.372 55.219 55.803 -0.352 0.000 0.891 235 Q CB 1.148 29.593 28.738 -0.489 0.000 1.222 235 Q HN 0.584 nan 8.270 nan 0.000 0.453 236 I N 1.048 121.433 120.570 -0.308 0.000 2.395 236 I HA 0.128 4.298 4.170 -0.000 0.000 0.289 236 I C -0.396 175.542 176.117 -0.299 0.000 1.023 236 I CA -0.454 60.725 61.300 -0.202 0.000 1.350 236 I CB 0.575 38.528 38.000 -0.079 0.000 1.409 236 I HN 0.374 nan 8.210 nan 0.000 0.507 237 W N 5.316 126.537 121.300 -0.132 0.000 2.387 237 W HA 0.214 4.874 4.660 -0.000 0.000 0.310 237 W C 1.552 177.971 176.519 -0.168 0.000 1.181 237 W CA -0.512 56.741 57.345 -0.153 0.000 1.333 237 W CB 0.627 29.960 29.460 -0.212 0.000 1.286 237 W HN 0.572 nan 8.180 nan 0.000 0.455 238 T N -2.441 112.133 114.554 0.033 0.000 3.043 238 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 238 T C 0.386 175.090 174.700 0.006 0.000 1.094 238 T CA 0.577 62.669 62.100 -0.013 0.000 1.127 238 T CB 0.038 68.881 68.868 -0.040 0.000 0.905 238 T HN 0.218 nan 8.240 nan 0.000 0.490 239 D N 2.659 123.108 120.400 0.082 0.000 2.514 239 D HA 0.308 4.948 4.640 -0.000 0.000 0.267 239 D C -1.642 174.663 176.300 0.009 0.000 1.165 239 D CA -2.699 51.329 54.000 0.047 0.000 0.958 239 D CB 1.459 42.308 40.800 0.082 0.000 0.992 239 D HN 0.082 nan 8.370 nan 0.000 0.506 240 P HA -0.125 nan 4.420 nan 0.000 0.219 240 P C 1.738 178.772 177.300 -0.444 0.000 1.150 240 P CA 0.533 63.428 63.100 -0.341 0.000 0.814 240 P CB 0.246 31.731 31.700 -0.357 0.000 0.787 241 M N 0.067 119.491 119.600 -0.294 0.000 2.202 241 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 241 M C 2.179 178.322 176.300 -0.261 0.000 1.063 241 M CA 1.518 56.660 55.300 -0.265 0.000 1.097 241 M CB -1.397 31.097 32.600 -0.176 0.000 1.382 241 M HN 0.006 nan 8.290 nan 0.000 0.413 242 K N 0.275 120.538 120.400 -0.228 0.000 2.009 242 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 242 K C 1.879 178.275 176.600 -0.340 0.000 1.049 242 K CA 1.543 57.715 56.287 -0.192 0.000 0.929 242 K CB -0.226 32.253 32.500 -0.035 0.000 0.714 242 K HN 0.152 nan 8.250 nan 0.000 0.440 243 I N 0.933 121.104 120.570 -0.664 0.000 2.500 243 I HA -0.092 4.078 4.170 -0.000 0.000 0.252 243 I C 1.706 177.563 176.117 -0.433 0.000 1.142 243 I CA 0.899 61.724 61.300 -0.791 0.000 1.451 243 I CB 0.005 36.934 38.000 -1.784 0.000 1.093 243 I HN 0.245 nan 8.210 nan 0.000 0.430 244 I N 0.336 120.621 120.570 -0.475 0.000 2.179 244 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 244 I C 2.275 178.391 176.117 -0.002 0.000 1.088 244 I CA 1.506 62.672 61.300 -0.224 0.000 1.357 244 I CB -0.385 37.369 38.000 -0.411 0.000 1.051 244 I HN 0.248 nan 8.210 nan 0.000 0.409 245 E N 0.716 120.839 120.200 -0.129 0.000 2.106 245 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 245 E C 2.332 178.815 176.600 -0.195 0.000 0.984 245 E CA 1.151 57.483 56.400 -0.112 0.000 0.806 245 E CB -0.168 29.451 29.700 -0.135 0.000 0.750 245 E HN 0.512 nan 8.360 nan 0.000 0.458 246 A N 0.759 123.388 122.820 -0.319 0.000 1.902 246 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 246 A C 1.848 178.964 177.584 -0.780 0.000 1.181 246 A CA 1.159 52.752 52.037 -0.740 0.000 0.623 246 A CB -0.708 17.749 19.000 -0.905 0.000 0.818 246 A HN 0.219 nan 8.150 nan 0.000 0.443 247 Y N 1.101 121.204 120.300 -0.328 0.000 2.128 247 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 247 Y C 3.008 178.871 175.900 -0.062 0.000 1.154 247 Y CA 1.720 59.839 58.100 0.032 0.000 1.149 247 Y CB -1.174 37.569 38.460 0.472 0.000 0.976 247 Y HN 0.336 nan 8.280 nan 0.000 0.505 248 T N -0.878 113.781 114.554 0.174 0.000 2.720 248 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 248 T C 2.235 176.901 174.700 -0.057 0.000 1.037 248 T CA 1.487 63.635 62.100 0.081 0.000 1.144 248 T CB -1.017 67.934 68.868 0.138 0.000 0.864 248 T HN 0.550 nan 8.240 nan 0.000 0.444 249 G N 0.465 109.163 108.800 -0.170 0.000 2.421 249 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 249 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 249 G C 1.315 176.127 174.900 -0.146 0.000 1.171 249 G CA 0.526 45.504 45.100 -0.203 0.000 0.775 249 G HN 0.443 nan 8.290 nan 0.000 0.543 250 W N 1.007 122.145 121.300 -0.271 0.000 2.402 250 W HA 0.166 4.826 4.660 0.000 0.000 0.286 250 W C 2.833 179.121 176.519 -0.385 0.000 1.221 250 W CA 0.760 57.823 57.345 -0.470 0.000 1.257 250 W CB -0.945 27.860 29.460 -1.090 0.000 1.120 250 W HN 0.339 nan 8.180 nan 0.000 0.551 251 A N 0.111 122.869 122.820 -0.103 0.000 1.970 251 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 251 A C 1.886 179.475 177.584 0.007 0.000 1.170 251 A CA 2.053 54.098 52.037 0.013 0.000 0.645 251 A CB -1.018 17.977 19.000 -0.010 0.000 0.816 251 A HN 0.221 nan 8.150 nan 0.000 0.447 252 T N -4.304 110.246 114.554 -0.007 0.000 3.107 252 T HA 0.407 4.757 4.350 -0.000 0.000 0.249 252 T C 1.222 175.931 174.700 0.016 0.000 1.096 252 T CA 0.946 63.045 62.100 -0.001 0.000 1.012 252 T CB 0.095 68.958 68.868 -0.008 0.000 0.977 252 T HN 1.628 nan 8.240 nan 0.000 0.527 253 G N 2.067 110.890 108.800 0.039 0.000 2.171 253 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.238 253 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.238 253 G C -0.020 174.910 174.900 0.051 0.000 1.039 253 G CA -0.221 44.915 45.100 0.060 0.000 0.759 253 G HN 0.424 nan 8.290 nan 0.000 0.501 254 M N 0.633 120.256 119.600 0.038 0.000 2.184 254 M HA 0.502 4.982 4.480 -0.000 0.000 0.351 254 M C 0.648 176.984 176.300 0.060 0.000 1.395 254 M CA -0.380 54.935 55.300 0.024 0.000 1.117 254 M CB 0.434 33.021 32.600 -0.022 0.000 1.708 254 M HN 0.825 nan 8.290 nan 0.000 0.468 255 V N 0.733 120.680 119.914 0.055 0.000 2.971 255 V HA 0.659 4.779 4.120 -0.000 0.000 0.309 255 V C -0.506 175.621 176.094 0.055 0.000 1.130 255 V CA -1.143 61.202 62.300 0.074 0.000 0.964 255 V CB 2.306 34.174 31.823 0.075 0.000 1.029 255 V HN 0.616 nan 8.190 nan 0.000 0.427 256 D N 1.360 121.798 120.400 0.063 0.000 2.398 256 D HA 0.298 4.938 4.640 -0.000 0.000 0.247 256 D C 0.115 176.442 176.300 0.045 0.000 1.227 256 D CA -0.194 53.836 54.000 0.050 0.000 0.980 256 D CB 0.666 41.501 40.800 0.058 0.000 1.106 256 D HN 0.794 nan 8.370 nan 0.000 0.493 257 E N 0.809 121.030 120.200 0.035 0.000 2.104 257 E HA 0.244 4.594 4.350 -0.000 0.000 0.278 257 E C 0.082 176.699 176.600 0.027 0.000 1.127 257 E CA 0.168 56.584 56.400 0.027 0.000 0.897 257 E CB 0.777 30.488 29.700 0.017 0.000 1.043 257 E HN 0.117 nan 8.360 nan 0.000 0.410 258 R N 2.439 122.957 120.500 0.029 0.000 2.535 258 R HA 0.339 4.679 4.340 -0.000 0.000 0.274 258 R C -1.832 174.484 176.300 0.027 0.000 1.090 258 R CA -0.553 55.566 56.100 0.031 0.000 0.930 258 R CB 1.518 31.848 30.300 0.050 0.000 1.223 258 R HN 0.279 nan 8.270 nan 0.000 0.441 259 V N 2.841 122.765 119.914 0.017 0.000 2.459 259 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 259 V C -0.241 175.873 176.094 0.034 0.000 1.029 259 V CA -0.614 61.695 62.300 0.016 0.000 0.874 259 V CB 1.969 33.784 31.823 -0.012 0.000 0.985 259 V HN 0.775 nan 8.190 nan 0.000 0.438 260 T N 4.515 119.104 114.554 0.057 0.000 2.743 260 T HA 0.496 4.846 4.350 -0.000 0.000 0.292 260 T C -0.193 174.577 174.700 0.117 0.000 0.972 260 T CA -0.274 61.892 62.100 0.109 0.000 0.967 260 T CB 1.243 70.192 68.868 0.135 0.000 0.926 260 T HN 0.367 nan 8.240 nan 0.000 0.459 261 V N 5.692 125.689 119.914 0.138 0.000 2.439 261 V HA 0.560 4.680 4.120 -0.000 0.000 0.282 261 V C -0.090 176.188 176.094 0.306 0.000 1.039 261 V CA -0.683 61.731 62.300 0.190 0.000 0.913 261 V CB 1.002 32.895 31.823 0.117 0.000 0.983 261 V HN 0.768 nan 8.190 nan 0.000 0.460 262 I N 6.092 126.868 120.570 0.345 0.000 2.569 262 I HA 0.660 4.830 4.170 -0.000 0.000 0.290 262 I C -0.920 175.388 176.117 0.319 0.000 1.088 262 I CA -0.629 60.845 61.300 0.290 0.000 1.047 262 I CB 1.979 40.058 38.000 0.130 0.000 1.237 262 I HN 0.785 nan 8.210 nan 0.000 0.421 263 Y N 2.723 123.078 120.300 0.091 0.000 2.656 263 Y HA 0.727 5.277 4.550 -0.000 0.000 0.334 263 Y C -2.046 173.842 175.900 -0.021 0.000 1.179 263 Y CA -1.004 57.084 58.100 -0.020 0.000 1.050 263 Y CB 1.565 40.073 38.460 0.079 0.000 1.308 263 Y HN 0.412 nan 8.280 nan 0.000 0.456 264 D N -0.000 120.319 120.400 -0.134 0.000 2.493 264 D HA 0.669 5.309 4.640 -0.000 0.000 0.239 264 D C -1.487 174.770 176.300 -0.071 0.000 1.049 264 D CA -0.026 53.828 54.000 -0.243 0.000 1.008 264 D CB 2.802 43.452 40.800 -0.250 0.000 1.398 264 D HN 0.805 nan 8.370 nan 0.000 0.513 265 T N 0.197 114.617 114.554 -0.223 0.000 2.840 265 T HA 0.371 4.721 4.350 -0.000 0.000 0.317 265 T C 0.172 174.667 174.700 -0.342 0.000 1.401 265 T CA -0.288 61.714 62.100 -0.163 0.000 1.028 265 T CB 1.215 70.123 68.868 0.066 0.000 1.317 265 T HN 0.341 nan 8.240 nan 0.000 0.495 266 M N 0.721 120.140 119.600 -0.302 0.000 2.925 266 M HA 0.279 4.759 4.480 -0.000 0.000 0.249 266 M C 1.201 177.428 176.300 -0.123 0.000 1.439 266 M CA 0.536 55.651 55.300 -0.309 0.000 1.217 266 M CB 0.296 32.643 32.600 -0.423 0.000 1.245 266 M HN 0.696 nan 8.290 nan 0.000 0.552 267 H N -0.461 118.567 119.070 -0.069 0.000 2.652 267 H HA 0.348 4.904 4.556 -0.000 0.000 0.274 267 H C 1.111 176.407 175.328 -0.052 0.000 1.021 267 H CA 0.213 56.227 56.048 -0.056 0.000 1.187 267 H CB 0.679 30.414 29.762 -0.045 0.000 1.505 267 H HN 0.620 nan 8.280 nan 0.000 0.530 268 G N 0.363 109.188 108.800 0.042 0.000 2.195 268 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.246 268 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.246 268 G C 1.323 176.212 174.900 -0.018 0.000 0.984 268 G CA 0.613 45.715 45.100 0.003 0.000 0.633 268 G HN 0.386 nan 8.290 nan 0.000 0.525 269 S N 0.090 115.800 115.700 0.016 0.000 2.368 269 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 269 S C 2.396 177.008 174.600 0.019 0.000 1.029 269 S CA 2.166 60.376 58.200 0.017 0.000 0.988 269 S CB -0.358 62.874 63.200 0.053 0.000 0.838 269 S HN 0.656 nan 8.310 nan 0.000 0.462 270 T N 1.654 116.228 114.554 0.033 0.000 2.867 270 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 270 T C 1.808 176.505 174.700 -0.005 0.000 1.057 270 T CA 1.055 63.206 62.100 0.086 0.000 1.136 270 T CB -0.138 68.760 68.868 0.050 0.000 0.874 270 T HN 0.362 nan 8.240 nan 0.000 0.466 271 R N 1.371 121.778 120.500 -0.156 0.000 2.066 271 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 271 R C 2.251 178.311 176.300 -0.399 0.000 1.131 271 R CA 1.328 57.145 56.100 -0.472 0.000 0.955 271 R CB -0.062 30.097 30.300 -0.234 0.000 0.851 271 R HN 0.272 nan 8.270 nan 0.000 0.432 272 K N 0.101 120.347 120.400 -0.257 0.000 2.063 272 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 272 K C 2.190 178.726 176.600 -0.108 0.000 1.048 272 K CA 2.114 58.282 56.287 -0.198 0.000 0.928 272 K CB -0.171 32.263 32.500 -0.109 0.000 0.713 272 K HN 0.299 nan 8.250 nan 0.000 0.442 273 M N 0.319 119.885 119.600 -0.056 0.000 2.117 273 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 273 M C 2.477 178.618 176.300 -0.265 0.000 1.065 273 M CA 1.579 56.837 55.300 -0.070 0.000 1.114 273 M CB -0.421 32.251 32.600 0.119 0.000 1.361 273 M HN 0.196 nan 8.290 nan 0.000 0.408 274 A N -0.288 122.426 122.820 -0.175 0.000 1.902 274 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 274 A C 1.811 179.330 177.584 -0.109 0.000 1.181 274 A CA 1.510 53.405 52.037 -0.236 0.000 0.623 274 A CB -1.240 17.597 19.000 -0.272 0.000 0.818 274 A HN 0.562 nan 8.150 nan 0.000 0.443 275 H N -0.979 117.958 119.070 -0.222 0.000 2.389 275 H HA 0.005 4.561 4.556 -0.000 0.000 0.299 275 H C 2.563 177.831 175.328 -0.100 0.000 1.081 275 H CA 0.688 56.657 56.048 -0.131 0.000 1.345 275 H CB 0.043 29.751 29.762 -0.090 0.000 1.393 275 H HN 0.579 nan 8.280 nan 0.000 0.520 276 A N 1.459 124.296 122.820 0.028 0.000 1.858 276 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 276 A C 2.440 179.985 177.584 -0.066 0.000 1.190 276 A CA 1.123 53.184 52.037 0.040 0.000 0.617 276 A CB -0.760 18.264 19.000 0.039 0.000 0.827 276 A HN 0.251 nan 8.150 nan 0.000 0.443 277 I N 0.019 120.469 120.570 -0.199 0.000 2.194 277 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 277 I C 2.965 178.933 176.117 -0.248 0.000 1.093 277 I CA 1.246 62.375 61.300 -0.284 0.000 1.355 277 I CB -0.403 37.330 38.000 -0.446 0.000 1.046 277 I HN 0.371 nan 8.210 nan 0.000 0.413 278 A N 0.251 122.958 122.820 -0.189 0.000 1.908 278 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 278 A C 2.232 179.720 177.584 -0.160 0.000 1.181 278 A CA 2.163 54.106 52.037 -0.156 0.000 0.627 278 A CB -0.578 18.333 19.000 -0.148 0.000 0.818 278 A HN 0.417 nan 8.150 nan 0.000 0.445 279 E N -0.272 119.851 120.200 -0.128 0.000 2.072 279 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 279 E C 2.020 178.386 176.600 -0.391 0.000 0.985 279 E CA 1.387 57.740 56.400 -0.079 0.000 0.801 279 E CB -0.675 29.119 29.700 0.157 0.000 0.750 279 E HN 0.439 nan 8.360 nan 0.000 0.452 280 G N 0.169 108.459 108.800 -0.849 0.000 2.418 280 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 280 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 280 G C 1.678 176.183 174.900 -0.659 0.000 1.158 280 G CA 0.994 45.208 45.100 -1.477 0.000 0.771 280 G HN 0.426 nan 8.290 nan 0.000 0.545 281 A N 0.501 123.089 122.820 -0.386 0.000 1.898 281 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 281 A C 2.438 179.925 177.584 -0.161 0.000 1.181 281 A CA 1.658 53.562 52.037 -0.221 0.000 0.620 281 A CB -0.331 18.576 19.000 -0.155 0.000 0.819 281 A HN 0.375 nan 8.150 nan 0.000 0.442 282 M N 0.514 120.023 119.600 -0.153 0.000 2.229 282 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 282 M C 2.362 178.626 176.300 -0.060 0.000 1.063 282 M CA 1.573 56.822 55.300 -0.085 0.000 1.114 282 M CB -0.331 32.232 32.600 -0.061 0.000 1.387 282 M HN 0.651 nan 8.290 nan 0.000 0.420 283 S N -0.166 115.483 115.700 -0.086 0.000 2.442 283 S HA -0.113 4.357 4.470 -0.000 0.000 0.236 283 S C 1.467 176.060 174.600 -0.011 0.000 1.007 283 S CA 0.961 59.157 58.200 -0.006 0.000 0.965 283 S CB -0.310 62.928 63.200 0.063 0.000 0.773 283 S HN 0.434 nan 8.310 nan 0.000 0.504 284 E N 0.703 120.874 120.200 -0.049 0.000 2.479 284 E HA 0.217 4.567 4.350 -0.000 0.000 0.193 284 E C 1.340 177.929 176.600 -0.019 0.000 1.049 284 E CA 0.493 56.874 56.400 -0.031 0.000 0.870 284 E CB 0.052 29.723 29.700 -0.048 0.000 0.944 284 E HN 0.721 nan 8.360 nan 0.000 0.492 285 G N 1.580 110.369 108.800 -0.018 0.000 2.148 285 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 285 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 285 G C 0.585 175.481 174.900 -0.008 0.000 0.981 285 G CA 0.568 45.663 45.100 -0.008 0.000 0.670 285 G HN 0.292 nan 8.290 nan 0.000 0.528 286 V N -1.744 118.160 119.914 -0.016 0.000 2.863 286 V HA 0.757 4.877 4.120 -0.000 0.000 0.307 286 V C 0.536 176.624 176.094 -0.010 0.000 1.061 286 V CA -0.587 61.708 62.300 -0.010 0.000 1.024 286 V CB 1.776 33.592 31.823 -0.013 0.000 1.049 286 V HN 0.218 nan 8.190 nan 0.000 0.471 287 D N 1.601 122.004 120.400 0.004 0.000 2.399 287 D HA 0.462 5.102 4.640 -0.000 0.000 0.241 287 D C -0.548 175.751 176.300 -0.002 0.000 1.133 287 D CA 0.353 54.358 54.000 0.007 0.000 0.890 287 D CB 1.278 42.095 40.800 0.029 0.000 1.201 287 D HN 0.636 nan 8.370 nan 0.000 0.432 288 V N 4.092 123.998 119.914 -0.013 0.000 2.760 288 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 288 V C -0.310 175.763 176.094 -0.036 0.000 1.077 288 V CA -0.997 61.287 62.300 -0.026 0.000 0.910 288 V CB 2.021 33.810 31.823 -0.055 0.000 1.008 288 V HN 0.490 nan 8.190 nan 0.000 0.424 289 R N 2.520 123.003 120.500 -0.029 0.000 2.711 289 R HA 0.811 5.151 4.340 -0.000 0.000 0.284 289 R C -1.374 174.852 176.300 -0.124 0.000 0.968 289 R CA -0.759 55.275 56.100 -0.110 0.000 0.924 289 R CB 2.326 32.585 30.300 -0.069 0.000 1.162 289 R HN 0.450 nan 8.270 nan 0.000 0.465 290 V N 3.528 123.294 119.914 -0.246 0.000 2.444 290 V HA 0.408 4.528 4.120 -0.000 0.000 0.294 290 V C -1.192 174.764 176.094 -0.231 0.000 1.022 290 V CA -0.776 61.459 62.300 -0.108 0.000 0.850 290 V CB 1.202 32.989 31.823 -0.059 0.000 0.992 290 V HN 0.572 nan 8.190 nan 0.000 0.426 291 Y N 2.524 122.895 120.300 0.119 0.000 2.468 291 Y HA 0.628 5.177 4.550 -0.000 0.000 0.342 291 Y C 0.183 176.046 175.900 -0.062 0.000 1.021 291 Y CA -0.588 57.537 58.100 0.041 0.000 1.079 291 Y CB 1.947 40.414 38.460 0.012 0.000 1.226 291 Y HN 0.659 nan 8.280 nan 0.000 0.460 292 C N 5.064 124.357 119.300 -0.010 0.000 2.319 292 C HA 0.423 4.883 4.460 -0.000 0.000 0.323 292 C C 1.384 176.272 174.990 -0.170 0.000 1.277 292 C CA -0.657 58.134 59.018 -0.378 0.000 1.517 292 C CB -0.832 26.686 27.740 -0.370 0.000 2.206 292 C HN 1.054 nan 8.230 nan 0.000 0.486 293 L N 2.914 124.013 121.223 -0.207 0.000 2.187 293 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 293 L C 2.240 179.098 176.870 -0.020 0.000 1.100 293 L CA 1.436 56.228 54.840 -0.081 0.000 0.765 293 L CB -0.636 41.390 42.059 -0.054 0.000 0.904 293 L HN 0.878 nan 8.230 nan 0.000 0.437 294 H N -0.094 118.899 119.070 -0.130 0.000 2.457 294 H HA -0.104 4.452 4.556 -0.000 0.000 0.294 294 H C 1.992 177.297 175.328 -0.040 0.000 1.064 294 H CA 1.400 57.405 56.048 -0.073 0.000 1.330 294 H CB 0.408 30.108 29.762 -0.103 0.000 1.395 294 H HN 0.261 nan 8.280 nan 0.000 0.541 295 E N -0.577 119.602 120.200 -0.036 0.000 2.367 295 E HA 0.073 4.423 4.350 -0.000 0.000 0.204 295 E C -0.256 176.331 176.600 -0.021 0.000 0.840 295 E CA 0.101 56.477 56.400 -0.039 0.000 1.051 295 E CB 0.610 30.328 29.700 0.030 0.000 1.051 295 E HN 0.427 nan 8.360 nan 0.000 0.509 296 D N 1.741 122.144 120.400 0.004 0.000 2.163 296 D HA 0.191 4.831 4.640 -0.000 0.000 0.248 296 D C -0.556 175.716 176.300 -0.047 0.000 1.035 296 D CA -0.290 53.728 54.000 0.029 0.000 0.872 296 D CB 1.687 42.584 40.800 0.161 0.000 1.183 296 D HN -0.118 nan 8.370 nan 0.000 0.445 297 D N -0.150 120.210 120.400 -0.066 0.000 2.372 297 D HA 0.026 4.666 4.640 -0.000 0.000 0.243 297 D C 1.682 177.882 176.300 -0.166 0.000 1.121 297 D CA -0.388 53.544 54.000 -0.113 0.000 0.898 297 D CB 0.985 41.723 40.800 -0.104 0.000 1.202 297 D HN 0.312 nan 8.370 nan 0.000 0.428 298 R N 1.148 121.533 120.500 -0.191 0.000 2.139 298 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 298 R C 1.566 177.793 176.300 -0.122 0.000 1.145 298 R CA 1.746 57.732 56.100 -0.191 0.000 0.976 298 R CB -0.642 29.447 30.300 -0.352 0.000 0.866 298 R HN 0.399 nan 8.270 nan 0.000 0.449 299 S N 0.160 115.755 115.700 -0.175 0.000 2.436 299 S HA -0.002 4.468 4.470 -0.000 0.000 0.228 299 S C 1.602 176.083 174.600 -0.197 0.000 1.014 299 S CA 0.395 58.486 58.200 -0.182 0.000 0.950 299 S CB 0.193 63.143 63.200 -0.417 0.000 0.784 299 S HN 0.304 nan 8.310 nan 0.000 0.504 300 E N 1.578 121.663 120.200 -0.192 0.000 2.112 300 E HA 0.135 4.485 4.350 -0.000 0.000 0.190 300 E C 2.072 178.474 176.600 -0.329 0.000 0.979 300 E CA 0.637 56.936 56.400 -0.167 0.000 0.814 300 E CB -0.361 29.293 29.700 -0.077 0.000 0.762 300 E HN 0.581 nan 8.360 nan 0.000 0.460 301 I N 1.314 121.578 120.570 -0.509 0.000 2.127 301 I HA -0.239 3.931 4.170 -0.000 0.000 0.241 301 I C 2.627 178.594 176.117 -0.250 0.000 1.075 301 I CA 1.355 62.261 61.300 -0.658 0.000 1.334 301 I CB -0.529 37.182 38.000 -0.482 0.000 1.040 301 I HN 0.010 nan 8.210 nan 0.000 0.405 302 V N -0.882 118.999 119.914 -0.055 0.000 2.626 302 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 302 V C 2.425 178.589 176.094 0.117 0.000 1.067 302 V CA 1.636 64.005 62.300 0.115 0.000 1.081 302 V CB -0.829 31.192 31.823 0.329 0.000 0.686 302 V HN 0.402 nan 8.190 nan 0.000 0.468 303 K N 0.276 120.693 120.400 0.029 0.000 2.044 303 K HA -0.278 4.042 4.320 -0.000 0.000 0.210 303 K C 1.843 178.461 176.600 0.031 0.000 1.049 303 K CA 2.387 58.684 56.287 0.018 0.000 0.927 303 K CB -0.324 32.174 32.500 -0.002 0.000 0.713 303 K HN 0.522 nan 8.250 nan 0.000 0.443 304 D N 0.317 120.739 120.400 0.038 0.000 2.234 304 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 304 D C 1.847 178.164 176.300 0.028 0.000 0.962 304 D CA 0.615 54.668 54.000 0.089 0.000 0.855 304 D CB 0.052 40.987 40.800 0.224 0.000 0.951 304 D HN 0.297 nan 8.370 nan 0.000 0.500 305 I N 0.291 120.824 120.570 -0.063 0.000 2.252 305 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 305 I C 2.283 178.247 176.117 -0.254 0.000 1.102 305 I CA 0.387 61.549 61.300 -0.230 0.000 1.385 305 I CB -0.153 37.562 38.000 -0.475 0.000 1.064 305 I HN 0.022 nan 8.210 nan 0.000 0.414 306 L N 1.018 122.192 121.223 -0.083 0.000 2.064 306 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 306 L C 2.154 179.083 176.870 0.098 0.000 1.077 306 L CA 2.025 56.951 54.840 0.143 0.000 0.766 306 L CB -0.614 41.517 42.059 0.120 0.000 0.890 306 L HN 0.223 nan 8.230 nan 0.000 0.435 307 E N -0.546 119.702 120.200 0.080 0.000 2.476 307 E HA 0.157 4.507 4.350 -0.000 0.000 0.191 307 E C 0.200 176.851 176.600 0.086 0.000 1.064 307 E CA 0.111 56.586 56.400 0.124 0.000 0.866 307 E CB 0.061 29.848 29.700 0.145 0.000 0.952 307 E HN 0.414 nan 8.360 nan 0.000 0.492 308 S N -0.725 115.002 115.700 0.045 0.000 2.501 308 S HA 0.474 4.944 4.470 -0.000 0.000 0.301 308 S C 0.977 175.596 174.600 0.032 0.000 1.096 308 S CA -0.511 57.711 58.200 0.037 0.000 1.063 308 S CB 1.946 65.162 63.200 0.026 0.000 1.042 308 S HN 0.233 nan 8.310 nan 0.000 0.494 309 G N 0.681 109.505 108.800 0.041 0.000 2.838 309 G HA2 0.496 4.456 3.960 -0.000 0.000 0.210 309 G HA3 0.496 4.456 3.960 -0.000 0.000 0.210 309 G C 0.154 175.089 174.900 0.058 0.000 1.153 309 G CA 0.321 45.446 45.100 0.042 0.000 0.778 309 G HN 0.941 nan 8.290 nan 0.000 0.539 310 A N -0.103 122.753 122.820 0.060 0.000 2.547 310 A HA 0.710 5.030 4.320 -0.000 0.000 0.297 310 A C -0.983 176.635 177.584 0.056 0.000 1.056 310 A CA -0.744 51.335 52.037 0.070 0.000 0.688 310 A CB 1.229 20.253 19.000 0.040 0.000 1.282 310 A HN 0.676 nan 8.150 nan 0.000 0.400 311 I N -1.348 119.251 120.570 0.048 0.000 3.002 311 I HA 0.982 5.152 4.170 -0.000 0.000 0.310 311 I C -0.228 175.901 176.117 0.019 0.000 1.087 311 I CA -1.189 60.113 61.300 0.002 0.000 1.017 311 I CB 2.414 40.350 38.000 -0.107 0.000 1.226 311 I HN 0.921 nan 8.210 nan 0.000 0.443 312 A N 4.218 127.081 122.820 0.071 0.000 2.356 312 A HA 0.824 5.144 4.320 -0.000 0.000 0.310 312 A C -1.495 176.257 177.584 0.280 0.000 1.075 312 A CA -0.516 51.629 52.037 0.181 0.000 0.746 312 A CB 1.575 20.669 19.000 0.157 0.000 1.221 312 A HN 0.758 nan 8.150 nan 0.000 0.443 313 L N 2.218 123.579 121.223 0.230 0.000 2.381 313 L HA 0.858 5.198 4.340 -0.000 0.000 0.274 313 L C 0.071 176.742 176.870 -0.331 0.000 0.988 313 L CA 0.186 55.040 54.840 0.025 0.000 0.824 313 L CB 1.874 43.887 42.059 -0.078 0.000 1.263 313 L HN 0.913 nan 8.230 nan 0.000 0.410 314 G N 3.173 111.509 108.800 -0.773 0.000 2.612 314 G HA2 0.918 4.878 3.960 -0.000 0.000 0.298 314 G HA3 0.918 4.878 3.960 -0.000 0.000 0.298 314 G C -1.876 172.663 174.900 -0.602 0.000 1.336 314 G CA -0.191 44.006 45.100 -1.505 0.000 0.953 314 G HN 1.070 nan 8.290 nan 0.000 0.482 315 A N 1.681 124.252 122.820 -0.415 0.000 2.590 315 A HA 0.869 5.189 4.320 -0.000 0.000 0.296 315 A C -3.131 174.394 177.584 -0.099 0.000 1.050 315 A CA -1.012 50.929 52.037 -0.159 0.000 0.697 315 A CB 1.702 20.663 19.000 -0.065 0.000 1.277 315 A HN 0.597 nan 8.150 nan 0.000 0.411 316 P HA 0.374 nan 4.420 nan 0.000 0.274 316 P C -0.260 177.036 177.300 -0.006 0.000 1.256 316 P CA 0.210 63.289 63.100 -0.036 0.000 0.795 316 P CB 0.556 32.218 31.700 -0.064 0.000 1.038 317 T N 1.879 116.417 114.554 -0.026 0.000 2.799 317 T HA 0.532 4.882 4.350 -0.000 0.000 0.286 317 T C 0.101 174.765 174.700 -0.061 0.000 0.973 317 T CA -0.341 61.742 62.100 -0.028 0.000 1.035 317 T CB 0.124 68.975 68.868 -0.029 0.000 0.932 317 T HN 0.361 nan 8.240 nan 0.000 0.469 318 I N 3.110 123.640 120.570 -0.068 0.000 2.439 318 I HA 0.329 4.499 4.170 -0.000 0.000 0.285 318 I C -0.962 175.099 176.117 -0.094 0.000 1.021 318 I CA -0.959 60.233 61.300 -0.181 0.000 1.091 318 I CB 0.728 38.622 38.000 -0.177 0.000 1.242 318 I HN 0.708 nan 8.210 nan 0.000 0.439 319 Y N 6.937 127.241 120.300 0.005 0.000 3.001 319 Y HA -0.267 4.283 4.550 -0.000 0.000 0.207 319 Y C 0.894 176.792 175.900 -0.003 0.000 1.231 319 Y CA 1.325 59.426 58.100 0.002 0.000 1.024 319 Y CB -1.978 36.480 38.460 -0.003 0.000 1.267 319 Y HN 0.885 nan 8.280 nan 0.000 0.501 320 D N -2.869 117.594 120.400 0.104 0.000 2.748 320 D HA -0.172 4.468 4.640 -0.000 0.000 0.189 320 D C 0.168 176.490 176.300 0.037 0.000 0.982 320 D CA 1.507 55.544 54.000 0.062 0.000 1.017 320 D CB -0.352 40.487 40.800 0.066 0.000 1.076 320 D HN 0.558 nan 8.370 nan 0.000 0.446 321 E N 0.268 120.488 120.200 0.032 0.000 2.235 321 E HA 0.528 4.878 4.350 -0.000 0.000 0.265 321 E C -2.423 174.177 176.600 -0.000 0.000 0.940 321 E CA -1.835 54.573 56.400 0.013 0.000 0.819 321 E CB 1.173 30.879 29.700 0.009 0.000 1.206 321 E HN -0.040 nan 8.360 nan 0.000 0.409 322 P HA -0.023 nan 4.420 nan 0.000 0.270 322 P C -0.314 176.997 177.300 0.018 0.000 1.223 322 P CA -0.076 63.029 63.100 0.008 0.000 0.785 322 P CB 0.119 31.819 31.700 -0.001 0.000 0.923 323 Y N 4.736 124.999 120.300 -0.061 0.000 2.987 323 Y HA -0.094 4.456 4.550 -0.000 0.000 0.339 323 Y C -0.901 174.978 175.900 -0.036 0.000 1.272 323 Y CA -0.553 57.514 58.100 -0.054 0.000 1.562 323 Y CB -0.160 38.261 38.460 -0.065 0.000 1.253 323 Y HN 0.439 nan 8.280 nan 0.000 0.604 324 P HA -0.229 nan 4.420 nan 0.000 0.219 324 P C 1.367 178.598 177.300 -0.115 0.000 1.146 324 P CA 2.094 65.026 63.100 -0.280 0.000 0.808 324 P CB -0.092 31.395 31.700 -0.356 0.000 0.779 325 S N 0.276 115.969 115.700 -0.011 0.000 2.419 325 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 325 S C 2.039 176.669 174.600 0.049 0.000 1.016 325 S CA 1.432 59.683 58.200 0.084 0.000 0.974 325 S CB -1.910 61.422 63.200 0.220 0.000 0.786 325 S HN 0.186 nan 8.310 nan 0.000 0.492 326 V N 0.502 120.448 119.914 0.053 0.000 2.809 326 V HA 0.199 4.319 4.120 -0.000 0.000 0.256 326 V C 2.299 178.398 176.094 0.008 0.000 1.080 326 V CA 1.528 63.839 62.300 0.018 0.000 1.102 326 V CB -1.639 30.187 31.823 0.004 0.000 0.705 326 V HN 0.455 nan 8.190 nan 0.000 0.475 327 G N 0.284 109.084 108.800 -0.000 0.000 2.418 327 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 327 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 327 G C 1.394 176.301 174.900 0.011 0.000 1.158 327 G CA 0.976 46.077 45.100 0.001 0.000 0.771 327 G HN 0.579 nan 8.290 nan 0.000 0.545 328 D N 0.507 120.908 120.400 0.001 0.000 2.088 328 D HA -0.136 4.504 4.640 -0.000 0.000 0.191 328 D C 2.481 178.796 176.300 0.026 0.000 0.992 328 D CA 1.055 55.053 54.000 -0.003 0.000 0.831 328 D CB -0.385 40.395 40.800 -0.034 0.000 0.973 328 D HN 0.130 nan 8.370 nan 0.000 0.447 329 L N 0.880 122.116 121.223 0.021 0.000 2.013 329 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 329 L C 2.604 179.543 176.870 0.115 0.000 1.073 329 L CA 1.438 56.317 54.840 0.065 0.000 0.753 329 L CB -0.886 41.185 42.059 0.021 0.000 0.890 329 L HN 0.157 nan 8.230 nan 0.000 0.432 330 L N -1.567 119.697 121.223 0.068 0.000 2.083 330 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 330 L C 2.596 179.527 176.870 0.102 0.000 1.083 330 L CA 1.809 56.692 54.840 0.072 0.000 0.752 330 L CB -0.419 41.663 42.059 0.037 0.000 0.899 330 L HN 0.430 nan 8.230 nan 0.000 0.433 331 M N -1.640 118.019 119.600 0.098 0.000 2.132 331 M HA -0.277 4.203 4.480 -0.000 0.000 0.263 331 M C 2.389 178.779 176.300 0.151 0.000 1.065 331 M CA 1.771 57.131 55.300 0.099 0.000 1.122 331 M CB -0.267 32.378 32.600 0.076 0.000 1.365 331 M HN 0.128 nan 8.290 nan 0.000 0.411 332 Y N 1.277 121.591 120.300 0.022 0.000 2.081 332 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 332 Y C 1.920 177.855 175.900 0.058 0.000 1.163 332 Y CA 2.081 60.196 58.100 0.025 0.000 1.135 332 Y CB -0.703 37.770 38.460 0.022 0.000 0.970 332 Y HN 0.231 nan 8.280 nan 0.000 0.498 333 L N -0.495 120.832 121.223 0.173 0.000 2.127 333 L HA -0.280 4.060 4.340 -0.000 0.000 0.211 333 L C 2.724 179.672 176.870 0.129 0.000 1.089 333 L CA 1.526 56.484 54.840 0.197 0.000 0.757 333 L CB -0.521 41.721 42.059 0.304 0.000 0.899 333 L HN 0.164 nan 8.230 nan 0.000 0.434 334 R N -0.046 120.510 120.500 0.093 0.000 2.092 334 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 334 R C 2.287 178.575 176.300 -0.020 0.000 1.119 334 R CA 1.312 57.444 56.100 0.053 0.000 0.970 334 R CB -0.394 29.939 30.300 0.055 0.000 0.864 334 R HN 0.428 nan 8.270 nan 0.000 0.440 335 G N 0.618 109.380 108.800 -0.063 0.000 2.418 335 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 335 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 335 G C 1.395 176.165 174.900 -0.217 0.000 1.158 335 G CA 0.358 45.375 45.100 -0.139 0.000 0.771 335 G HN 0.205 nan 8.290 nan 0.000 0.545 336 L N -0.619 120.431 121.223 -0.289 0.000 2.240 336 L HA 0.134 4.474 4.340 -0.000 0.000 0.211 336 L C 0.824 177.451 176.870 -0.405 0.000 1.106 336 L CA 0.346 54.923 54.840 -0.438 0.000 0.793 336 L CB -0.206 41.491 42.059 -0.604 0.000 0.927 336 L HN 0.165 nan 8.230 nan 0.000 0.446 337 K N -0.413 119.859 120.400 -0.212 0.000 3.653 337 K HA -0.242 4.078 4.320 -0.000 0.000 0.275 337 K C 0.415 176.896 176.600 -0.198 0.000 0.962 337 K CA 0.050 56.247 56.287 -0.150 0.000 0.773 337 K CB -1.744 30.676 32.500 -0.133 0.000 1.463 337 K HN 0.050 nan 8.250 nan 0.000 0.450 338 F N 1.335 121.184 119.950 -0.168 0.000 2.307 338 F HA -0.212 4.315 4.527 -0.000 0.000 0.301 338 F C 2.329 177.984 175.800 -0.243 0.000 1.076 338 F CA 1.782 59.656 58.000 -0.210 0.000 1.383 338 F CB -0.197 38.639 39.000 -0.274 0.000 1.055 338 F HN 0.497 nan 8.300 nan 0.000 0.526 339 N N 0.924 119.556 118.700 -0.112 0.000 2.443 339 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 339 N C 1.516 176.986 175.510 -0.066 0.000 1.037 339 N CA 0.895 53.877 53.050 -0.115 0.000 0.896 339 N CB -0.631 37.783 38.487 -0.121 0.000 0.959 339 N HN 0.327 nan 8.380 nan 0.000 0.442 340 R N 0.075 120.534 120.500 -0.069 0.000 2.235 340 R HA -0.005 4.335 4.340 -0.000 0.000 0.213 340 R C 1.754 178.033 176.300 -0.036 0.000 1.059 340 R CA 1.550 57.612 56.100 -0.064 0.000 0.997 340 R CB -0.034 30.210 30.300 -0.094 0.000 0.884 340 R HN 0.583 nan 8.270 nan 0.000 0.462 341 T N -2.579 111.973 114.554 -0.005 0.000 3.056 341 T HA 0.182 4.532 4.350 -0.000 0.000 0.241 341 T C 0.351 175.067 174.700 0.027 0.000 1.006 341 T CA -0.075 62.045 62.100 0.032 0.000 1.115 341 T CB 0.405 69.332 68.868 0.097 0.000 0.939 341 T HN 0.051 nan 8.240 nan 0.000 0.462 342 L N 1.034 122.269 121.223 0.020 0.000 2.666 342 L HA 0.483 4.823 4.340 -0.000 0.000 0.259 342 L C -1.462 175.374 176.870 -0.056 0.000 0.919 342 L CA -0.334 54.504 54.840 -0.003 0.000 0.927 342 L CB 1.784 43.856 42.059 0.022 0.000 1.423 342 L HN 0.045 nan 8.230 nan 0.000 0.426 343 T N 4.730 119.246 114.554 -0.063 0.000 2.775 343 T HA 0.395 4.745 4.350 -0.000 0.000 0.287 343 T C 0.311 174.973 174.700 -0.064 0.000 0.909 343 T CA -0.133 61.907 62.100 -0.100 0.000 1.081 343 T CB -0.372 68.463 68.868 -0.056 0.000 0.891 343 T HN 0.498 nan 8.240 nan 0.000 0.544 344 R N 2.610 123.043 120.500 -0.111 0.000 2.490 344 R HA 0.329 4.669 4.340 -0.000 0.000 0.278 344 R C 0.374 176.779 176.300 0.174 0.000 1.069 344 R CA -0.895 55.231 56.100 0.043 0.000 1.080 344 R CB 0.666 31.023 30.300 0.095 0.000 1.030 344 R HN 0.305 nan 8.270 nan 0.000 0.491 345 K N 1.257 121.745 120.400 0.147 0.000 2.237 345 K HA 0.367 4.687 4.320 -0.000 0.000 0.270 345 K C -0.371 176.332 176.600 0.172 0.000 1.015 345 K CA -0.188 56.182 56.287 0.140 0.000 0.949 345 K CB 1.530 34.077 32.500 0.078 0.000 0.976 345 K HN 0.688 nan 8.250 nan 0.000 0.472 346 A N 2.378 125.282 122.820 0.140 0.000 2.414 346 A HA 0.585 4.905 4.320 -0.000 0.000 0.306 346 A C -1.463 176.159 177.584 0.062 0.000 1.054 346 A CA -0.784 51.297 52.037 0.074 0.000 0.724 346 A CB 1.195 20.204 19.000 0.016 0.000 1.267 346 A HN 0.512 nan 8.150 nan 0.000 0.418 347 L N 3.303 124.564 121.223 0.064 0.000 2.325 347 L HA 0.699 5.039 4.340 -0.000 0.000 0.281 347 L C -0.297 176.674 176.870 0.169 0.000 1.004 347 L CA -0.519 54.378 54.840 0.094 0.000 0.823 347 L CB 1.530 43.627 42.059 0.064 0.000 1.236 347 L HN 0.843 nan 8.230 nan 0.000 0.415 348 V N 3.314 123.317 119.914 0.149 0.000 2.539 348 V HA 0.799 4.919 4.120 -0.000 0.000 0.292 348 V C -0.418 175.837 176.094 0.269 0.000 1.045 348 V CA -0.401 61.992 62.300 0.155 0.000 0.945 348 V CB 1.015 32.867 31.823 0.048 0.000 0.993 348 V HN 0.827 nan 8.190 nan 0.000 0.464 349 F N 0.765 120.724 119.950 0.014 0.000 2.711 349 F HA 1.055 5.582 4.527 -0.000 0.000 0.313 349 F C -0.172 175.641 175.800 0.023 0.000 1.141 349 F CA -0.243 57.767 58.000 0.016 0.000 0.941 349 F CB 1.558 40.564 39.000 0.011 0.000 1.349 349 F HN 1.156 nan 8.300 nan 0.000 0.464 350 G N 0.351 109.218 108.800 0.112 0.000 2.361 350 G HA2 0.433 4.393 3.960 -0.000 0.000 0.299 350 G HA3 0.433 4.393 3.960 -0.000 0.000 0.299 350 G C -2.251 172.684 174.900 0.058 0.000 1.544 350 G CA -0.542 44.554 45.100 -0.007 0.000 0.860 350 G HN 0.861 nan 8.290 nan 0.000 0.610 351 S N -0.641 115.078 115.700 0.032 0.000 2.565 351 S HA 0.847 5.317 4.470 -0.000 0.000 0.290 351 S C 0.126 174.715 174.600 -0.019 0.000 1.150 351 S CA -0.169 58.046 58.200 0.025 0.000 1.058 351 S CB 0.789 64.012 63.200 0.039 0.000 1.032 351 S HN 1.209 nan 8.310 nan 0.000 0.510 352 M N 2.524 122.090 119.600 -0.057 0.000 2.664 352 M HA 0.737 5.217 4.480 -0.000 0.000 0.279 352 M C 0.303 176.413 176.300 -0.317 0.000 1.275 352 M CA -0.514 54.723 55.300 -0.105 0.000 0.829 352 M CB 0.786 33.358 32.600 -0.046 0.000 1.727 352 M HN 0.419 nan 8.290 nan 0.000 0.459 353 G N -1.662 106.942 108.800 -0.327 0.000 3.228 353 G HA2 0.581 4.541 3.960 -0.000 0.000 0.245 353 G HA3 0.581 4.541 3.960 -0.000 0.000 0.245 353 G C 0.246 175.048 174.900 -0.164 0.000 1.051 353 G CA 0.280 44.972 45.100 -0.681 0.000 0.809 353 G HN 1.165 nan 8.290 nan 0.000 0.531 354 G N 0.458 109.243 108.800 -0.026 0.000 3.450 354 G HA2 0.030 3.990 3.960 -0.000 0.000 0.147 354 G HA3 0.030 3.990 3.960 -0.000 0.000 0.147 354 G C 0.543 175.440 174.900 -0.005 0.000 1.269 354 G CA 0.122 45.238 45.100 0.027 0.000 1.388 354 G HN 0.155 nan 8.290 nan 0.000 0.731 355 N N 0.713 119.415 118.700 0.003 0.000 2.424 355 N HA 0.331 5.071 4.740 -0.000 0.000 0.178 355 N C 1.252 176.762 175.510 -0.001 0.000 1.060 355 N CA 0.526 53.576 53.050 -0.001 0.000 0.901 355 N CB 0.804 39.298 38.487 0.013 0.000 0.979 355 N HN 0.894 nan 8.380 nan 0.000 0.451 356 G N 0.113 108.912 108.800 -0.002 0.000 2.562 356 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.250 356 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.250 356 G C 0.542 175.445 174.900 0.005 0.000 1.269 356 G CA -0.120 44.978 45.100 -0.002 0.000 0.919 356 G HN 0.605 nan 8.290 nan 0.000 0.574 357 G N -3.104 105.699 108.800 0.005 0.000 2.480 357 G HA2 0.286 4.246 3.960 -0.000 0.000 0.193 357 G HA3 0.286 4.246 3.960 -0.000 0.000 0.193 357 G C 1.631 176.533 174.900 0.005 0.000 1.004 357 G CA 1.348 46.453 45.100 0.009 0.000 0.696 357 G HN 2.312 nan 8.290 nan 0.000 0.478 358 A N 0.872 123.691 122.820 -0.002 0.000 1.873 358 A HA 0.156 4.476 4.320 -0.000 0.000 0.215 358 A C 2.687 180.263 177.584 -0.014 0.000 1.186 358 A CA 3.296 55.326 52.037 -0.011 0.000 0.616 358 A CB -1.190 17.797 19.000 -0.020 0.000 0.823 358 A HN 1.435 nan 8.150 nan 0.000 0.442 359 T N -2.492 112.057 114.554 -0.009 0.000 2.788 359 T HA 0.019 4.369 4.350 -0.000 0.000 0.268 359 T C 1.920 176.626 174.700 0.009 0.000 1.044 359 T CA 1.638 63.738 62.100 -0.001 0.000 1.139 359 T CB -0.997 67.883 68.868 0.021 0.000 0.867 359 T HN 0.423 nan 8.240 nan 0.000 0.454 360 G N 1.474 110.281 108.800 0.012 0.000 2.459 360 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 360 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 360 G C 1.747 176.655 174.900 0.014 0.000 1.183 360 G CA 1.502 46.611 45.100 0.015 0.000 0.776 360 G HN 0.524 nan 8.290 nan 0.000 0.552 361 T N 1.295 115.854 114.554 0.010 0.000 2.684 361 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 361 T C 2.545 177.250 174.700 0.008 0.000 1.036 361 T CA 1.552 63.658 62.100 0.009 0.000 1.148 361 T CB -0.226 68.645 68.868 0.006 0.000 0.863 361 T HN 0.182 nan 8.240 nan 0.000 0.436 362 M N 0.615 120.214 119.600 -0.002 0.000 2.175 362 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 362 M C 2.405 178.707 176.300 0.002 0.000 1.063 362 M CA 1.401 56.695 55.300 -0.011 0.000 1.119 362 M CB -0.343 32.235 32.600 -0.036 0.000 1.377 362 M HN 0.150 nan 8.290 nan 0.000 0.415 363 K N 0.947 121.355 120.400 0.013 0.000 2.057 363 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 363 K C 1.879 178.503 176.600 0.040 0.000 1.049 363 K CA 1.876 58.181 56.287 0.030 0.000 0.931 363 K CB -0.144 32.376 32.500 0.033 0.000 0.714 363 K HN 0.375 nan 8.250 nan 0.000 0.440 364 E N 0.639 120.859 120.200 0.033 0.000 2.051 364 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 364 E C 2.037 178.664 176.600 0.046 0.000 0.991 364 E CA 1.373 57.795 56.400 0.037 0.000 0.799 364 E CB -0.122 29.594 29.700 0.028 0.000 0.748 364 E HN 0.404 nan 8.360 nan 0.000 0.449 365 L N 0.567 121.815 121.223 0.040 0.000 2.156 365 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 365 L C 2.600 179.518 176.870 0.081 0.000 1.095 365 L CA 0.453 55.323 54.840 0.051 0.000 0.770 365 L CB -0.229 41.852 42.059 0.036 0.000 0.914 365 L HN 0.228 nan 8.230 nan 0.000 0.439 366 L N -0.390 120.879 121.223 0.077 0.000 2.072 366 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 366 L C 2.878 179.892 176.870 0.240 0.000 1.079 366 L CA 1.023 55.944 54.840 0.136 0.000 0.752 366 L CB -0.571 41.498 42.059 0.017 0.000 0.906 366 L HN 0.224 nan 8.230 nan 0.000 0.436 367 A N -0.162 122.749 122.820 0.152 0.000 1.902 367 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 367 A C 2.140 179.787 177.584 0.106 0.000 1.181 367 A CA 1.681 53.794 52.037 0.128 0.000 0.623 367 A CB -0.449 18.602 19.000 0.084 0.000 0.818 367 A HN 0.433 nan 8.150 nan 0.000 0.443 368 E N -0.420 119.835 120.200 0.092 0.000 2.085 368 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 368 E C 1.983 178.635 176.600 0.087 0.000 0.994 368 E CA 1.091 57.535 56.400 0.073 0.000 0.801 368 E CB -0.250 29.486 29.700 0.061 0.000 0.743 368 E HN 0.609 nan 8.360 nan 0.000 0.453 369 A N -0.021 122.886 122.820 0.145 0.000 2.238 369 A HA 0.246 4.566 4.320 -0.000 0.000 0.208 369 A C 1.442 179.116 177.584 0.149 0.000 1.177 369 A CA 0.797 52.943 52.037 0.182 0.000 0.804 369 A CB -0.191 18.980 19.000 0.285 0.000 0.823 369 A HN 0.335 nan 8.150 nan 0.000 0.482 370 G N -1.844 107.017 108.800 0.102 0.000 2.140 370 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.211 370 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.211 370 G C -0.202 174.591 174.900 -0.177 0.000 1.013 370 G CA -0.084 44.991 45.100 -0.041 0.000 0.705 370 G HN 0.292 nan 8.290 nan 0.000 0.508 371 F N 0.227 120.206 119.950 0.048 0.000 2.425 371 F HA 0.548 5.075 4.527 -0.000 0.000 0.331 371 F C 0.517 176.335 175.800 0.031 0.000 1.085 371 F CA -0.820 57.203 58.000 0.037 0.000 1.028 371 F CB 1.540 40.558 39.000 0.031 0.000 1.177 371 F HN 0.030 nan 8.300 nan 0.000 0.487 372 D N 2.213 122.731 120.400 0.197 0.000 2.411 372 D HA 0.226 4.866 4.640 -0.000 0.000 0.225 372 D C -0.911 175.468 176.300 0.132 0.000 1.156 372 D CA -0.123 53.953 54.000 0.126 0.000 0.874 372 D CB 0.641 41.487 40.800 0.076 0.000 1.034 372 D HN 0.152 nan 8.370 nan 0.000 0.502 373 V N 4.240 124.223 119.914 0.115 0.000 2.387 373 V HA 0.397 4.517 4.120 -0.000 0.000 0.260 373 V C 1.281 177.415 176.094 0.067 0.000 1.054 373 V CA 0.105 62.459 62.300 0.091 0.000 0.967 373 V CB 0.399 32.270 31.823 0.080 0.000 1.036 373 V HN 0.726 nan 8.190 nan 0.000 0.481 374 A N 3.591 126.448 122.820 0.062 0.000 2.140 374 A HA 0.316 4.636 4.320 -0.000 0.000 0.209 374 A C 0.791 178.400 177.584 0.042 0.000 1.181 374 A CA 0.472 52.538 52.037 0.048 0.000 0.824 374 A CB 0.275 19.302 19.000 0.044 0.000 0.879 374 A HN 0.732 nan 8.150 nan 0.000 0.480 375 C N -0.965 118.364 119.300 0.047 0.000 3.170 375 C HA 0.688 5.148 4.460 -0.000 0.000 0.319 375 C C -1.549 173.477 174.990 0.060 0.000 1.260 375 C CA -0.509 58.536 59.018 0.045 0.000 1.374 375 C CB 1.447 29.207 27.740 0.034 0.000 1.739 375 C HN 0.505 nan 8.230 nan 0.000 0.479 376 E N 2.649 122.884 120.200 0.059 0.000 2.283 376 E HA 0.410 4.760 4.350 -0.000 0.000 0.258 376 E C -1.222 175.425 176.600 0.077 0.000 0.893 376 E CA -0.116 56.327 56.400 0.073 0.000 0.798 376 E CB 0.969 30.702 29.700 0.055 0.000 1.242 376 E HN 0.654 nan 8.360 nan 0.000 0.414 377 E N 3.760 124.028 120.200 0.114 0.000 2.101 377 E HA 0.192 4.542 4.350 -0.000 0.000 0.260 377 E C -1.101 175.582 176.600 0.138 0.000 0.897 377 E CA -0.296 56.172 56.400 0.112 0.000 0.744 377 E CB 1.493 31.252 29.700 0.098 0.000 1.140 377 E HN 0.555 nan 8.360 nan 0.000 0.419 378 E N 2.267 122.524 120.200 0.093 0.000 2.176 378 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 378 E C -1.255 175.392 176.600 0.078 0.000 0.893 378 E CA -0.696 55.752 56.400 0.080 0.000 0.761 378 E CB 1.455 31.187 29.700 0.053 0.000 1.133 378 E HN 0.080 nan 8.360 nan 0.000 0.409 379 V N 4.534 124.499 119.914 0.085 0.000 2.735 379 V HA 0.188 4.308 4.120 -0.000 0.000 0.310 379 V C -1.111 175.048 176.094 0.108 0.000 1.061 379 V CA -0.878 61.481 62.300 0.098 0.000 0.913 379 V CB 1.682 33.561 31.823 0.093 0.000 1.005 379 V HN 0.689 nan 8.190 nan 0.000 0.428 380 Y N 6.174 126.458 120.300 -0.027 0.000 2.486 380 Y HA 0.485 5.035 4.550 -0.000 0.000 0.348 380 Y C 0.164 176.073 175.900 0.016 0.000 1.000 380 Y CA -0.147 57.893 58.100 -0.101 0.000 1.253 380 Y CB -0.638 37.771 38.460 -0.084 0.000 1.140 380 Y HN 0.692 nan 8.280 nan 0.000 0.526 381 Y N 0.952 121.100 120.300 -0.253 0.000 2.896 381 Y HA -0.368 4.182 4.550 -0.000 0.000 0.466 381 Y C 0.277 176.111 175.900 -0.110 0.000 1.196 381 Y CA 0.270 58.213 58.100 -0.263 0.000 2.514 381 Y CB -1.779 36.386 38.460 -0.493 0.000 1.231 381 Y HN 0.290 nan 8.280 nan 0.000 0.632 382 V N 4.989 124.963 119.914 0.100 0.000 2.521 382 V HA 0.192 4.312 4.120 -0.000 0.000 0.286 382 V C -1.771 174.352 176.094 0.049 0.000 1.034 382 V CA -0.997 61.330 62.300 0.045 0.000 1.045 382 V CB 0.500 32.323 31.823 -0.000 0.000 0.974 382 V HN 0.368 nan 8.190 nan 0.000 0.480 383 P HA 0.176 nan 4.420 nan 0.000 0.271 383 P C 0.087 177.407 177.300 0.032 0.000 1.216 383 P CA -0.125 63.002 63.100 0.045 0.000 0.776 383 P CB 0.548 32.269 31.700 0.035 0.000 0.881 384 T N -1.100 113.478 114.554 0.039 0.000 2.754 384 T HA 0.246 4.596 4.350 -0.000 0.000 0.286 384 T C 1.838 176.546 174.700 0.014 0.000 0.997 384 T CA 0.086 62.201 62.100 0.026 0.000 0.982 384 T CB 0.035 68.922 68.868 0.032 0.000 1.027 384 T HN 0.442 nan 8.240 nan 0.000 0.529 385 G N 0.273 109.075 108.800 0.003 0.000 2.469 385 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 385 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 385 G C 1.130 176.026 174.900 -0.007 0.000 1.150 385 G CA 0.884 45.979 45.100 -0.008 0.000 0.763 385 G HN 0.777 nan 8.290 nan 0.000 0.561 386 D N 0.449 120.850 120.400 0.001 0.000 2.144 386 D HA -0.025 4.615 4.640 -0.000 0.000 0.200 386 D C 2.502 178.812 176.300 0.016 0.000 0.978 386 D CA 0.881 54.884 54.000 0.004 0.000 0.833 386 D CB -0.197 40.608 40.800 0.009 0.000 0.961 386 D HN 0.480 nan 8.370 nan 0.000 0.470 387 E N -0.347 119.869 120.200 0.025 0.000 2.152 387 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 387 E C 1.775 178.394 176.600 0.032 0.000 0.983 387 E CA 0.170 56.591 56.400 0.035 0.000 0.818 387 E CB 0.102 29.830 29.700 0.047 0.000 0.758 387 E HN 0.084 nan 8.360 nan 0.000 0.467 388 L N 1.384 122.621 121.223 0.024 0.000 2.109 388 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 388 L C 1.460 178.359 176.870 0.048 0.000 1.086 388 L CA 1.682 56.537 54.840 0.026 0.000 0.760 388 L CB -0.421 41.645 42.059 0.013 0.000 0.910 388 L HN 0.019 nan 8.230 nan 0.000 0.437 389 D N -0.488 119.926 120.400 0.023 0.000 2.123 389 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 389 D C 2.204 178.559 176.300 0.091 0.000 0.992 389 D CA 1.446 55.459 54.000 0.021 0.000 0.833 389 D CB -0.062 40.717 40.800 -0.034 0.000 0.954 389 D HN 0.352 nan 8.370 nan 0.000 0.455 390 A N 0.154 123.011 122.820 0.062 0.000 1.930 390 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 390 A C 2.501 180.117 177.584 0.053 0.000 1.175 390 A CA 1.140 53.212 52.037 0.060 0.000 0.627 390 A CB -0.840 18.184 19.000 0.041 0.000 0.815 390 A HN 0.345 nan 8.150 nan 0.000 0.443 391 C N -1.971 117.351 119.300 0.037 0.000 2.432 391 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 391 C C 2.384 177.366 174.990 -0.013 0.000 1.249 391 C CA 0.906 59.908 59.018 -0.026 0.000 1.725 391 C CB -1.693 26.005 27.740 -0.069 0.000 2.028 391 C HN 0.702 nan 8.230 nan 0.000 0.477 392 F N 2.382 122.286 119.950 -0.078 0.000 2.065 392 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 392 F C 2.443 178.211 175.800 -0.053 0.000 1.112 392 F CA 2.445 60.407 58.000 -0.065 0.000 1.212 392 F CB -0.341 38.632 39.000 -0.044 0.000 0.975 392 F HN 0.197 nan 8.300 nan 0.000 0.476 393 E N 0.778 121.128 120.200 0.251 0.000 2.110 393 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 393 E C 2.060 178.659 176.600 -0.003 0.000 0.988 393 E CA 1.503 57.987 56.400 0.140 0.000 0.804 393 E CB -0.623 29.162 29.700 0.142 0.000 0.745 393 E HN 0.427 nan 8.360 nan 0.000 0.458 394 A N 0.266 123.072 122.820 -0.022 0.000 1.902 394 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 394 A C 2.479 180.001 177.584 -0.104 0.000 1.181 394 A CA 1.734 53.740 52.037 -0.051 0.000 0.623 394 A CB -1.353 17.619 19.000 -0.047 0.000 0.818 394 A HN 0.421 nan 8.150 nan 0.000 0.443 395 G N -0.612 108.082 108.800 -0.176 0.000 2.446 395 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 395 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 395 G C 1.763 176.528 174.900 -0.226 0.000 1.168 395 G CA 1.014 45.977 45.100 -0.228 0.000 0.771 395 G HN 0.512 nan 8.290 nan 0.000 0.551 396 R N 0.858 121.184 120.500 -0.289 0.000 2.083 396 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 396 R C 2.558 178.796 176.300 -0.105 0.000 1.137 396 R CA 2.007 57.972 56.100 -0.224 0.000 0.951 396 R CB -0.369 29.811 30.300 -0.199 0.000 0.851 396 R HN 0.446 nan 8.270 nan 0.000 0.434 397 K N 0.298 120.656 120.400 -0.069 0.000 2.057 397 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 397 K C 2.168 178.750 176.600 -0.030 0.000 1.049 397 K CA 1.349 57.616 56.287 -0.032 0.000 0.931 397 K CB -0.269 32.223 32.500 -0.013 0.000 0.714 397 K HN 0.143 nan 8.250 nan 0.000 0.440 398 L N 1.184 122.382 121.223 -0.041 0.000 2.042 398 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 398 L C 2.332 179.185 176.870 -0.029 0.000 1.076 398 L CA 2.130 56.953 54.840 -0.029 0.000 0.749 398 L CB -0.723 41.313 42.059 -0.038 0.000 0.893 398 L HN 0.327 nan 8.230 nan 0.000 0.432 399 A N -0.772 122.016 122.820 -0.053 0.000 1.873 399 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 399 A C 2.462 180.029 177.584 -0.028 0.000 1.186 399 A CA 1.744 53.754 52.037 -0.046 0.000 0.616 399 A CB -1.243 17.712 19.000 -0.075 0.000 0.823 399 A HN 0.535 nan 8.150 nan 0.000 0.442 400 A N -0.118 122.685 122.820 -0.030 0.000 1.917 400 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 400 A C 1.953 179.534 177.584 -0.005 0.000 1.182 400 A CA 2.423 54.451 52.037 -0.015 0.000 0.633 400 A CB -0.617 18.376 19.000 -0.011 0.000 0.819 400 A HN 0.587 nan 8.150 nan 0.000 0.448 401 E N 0.373 120.571 120.200 -0.003 0.000 2.097 401 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 401 E C 1.375 177.980 176.600 0.008 0.000 1.000 401 E CA 1.795 58.198 56.400 0.005 0.000 0.804 401 E CB -0.446 29.259 29.700 0.009 0.000 0.740 401 E HN 0.783 nan 8.360 nan 0.000 0.454 402 I N -1.599 118.975 120.570 0.007 0.000 3.812 402 I HA 0.259 4.429 4.170 -0.000 0.000 0.320 402 I C 0.553 176.676 176.117 0.010 0.000 1.276 402 I CA -0.107 61.200 61.300 0.012 0.000 1.164 402 I CB 0.003 38.013 38.000 0.017 0.000 1.009 402 I HN -0.170 nan 8.210 nan 0.000 0.431 403 R N 0.000 120.504 120.500 0.006 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.104 56.100 0.006 0.000 0.921 403 R CB 0.000 30.302 30.300 0.003 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535