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 2ajt_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTIFDNYEVW FVIGSQHLYG PETLRQVTQH AEHVVNALNT EAKLPCKLVL DATA SEQUENCE KPLGTTPDEI TAICRDANYD DPCAGLVVWL HTFSPAKMWI NGLTMLNKPL DATA SEQUENCE LQFHTQFNAA LPWDSIDMDF MNLNQTAHGG REFGFIGARM RQQHAVVTGH DATA SEQUENCE WQDKQAHERI GSWMRQAVSK QDTRHLKVCR FGDNMREVAV TDGDKVAAQI DATA SEQUENCE KFGFSVNTWA VGDLVQVVNS ISDGDVNALV DEYESCYTMT PATQIHGEKR DATA SEQUENCE QNVLEAARIE LGMKRFLEQG GFHAFTTTFE DLHGLKQLPG LAVQRLMQQG DATA SEQUENCE YGFAGEGDWK TAALLRIMKV MSTGLQGGTS FMEDYTYHFE KGNDLVLGSH DATA SEQUENCE MLEVCPSIAV EEKPILDVQH LGIGGKDDPA RLIFNTQTGP AIVASLIDLG DATA SEQUENCE DRYRLLVNCI DTVKTPHSLP KLPVANALWK AQPDLPTASE AWILAGGAHH DATA SEQUENCE TVFSHALNLN DMRQFAEMHD IEITVIDNDT RLPAFKDALR WNEVYYGF 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 0.000 176.333 176.300 0.056 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 T N 3.218 117.822 114.554 0.083 0.000 2.904 2 T HA 0.355 4.706 4.350 0.002 0.000 0.290 2 T C 1.331 176.127 174.700 0.161 0.000 1.018 2 T CA -0.296 61.887 62.100 0.138 0.000 1.075 2 T CB 1.065 70.043 68.868 0.184 0.000 0.986 2 T HN 0.465 nan 8.240 nan 0.000 0.523 3 I N -1.349 119.330 120.570 0.181 0.000 3.001 3 I HA 0.056 4.226 4.170 0.002 0.000 0.268 3 I C 1.511 177.737 176.117 0.181 0.000 1.267 3 I CA 1.113 62.494 61.300 0.135 0.000 1.472 3 I CB -0.482 37.572 38.000 0.091 0.000 1.089 3 I HN 0.399 nan 8.210 nan 0.000 0.468 4 F N 2.670 122.702 119.950 0.137 0.000 2.333 4 F HA -0.159 4.369 4.527 0.002 0.000 0.300 4 F C 1.591 177.477 175.800 0.144 0.000 1.083 4 F CA 1.742 59.834 58.000 0.153 0.000 1.395 4 F CB -0.576 38.470 39.000 0.078 0.000 1.056 4 F HN 0.203 nan 8.300 nan 0.000 0.529 5 D N -1.038 119.509 120.400 0.244 0.000 2.363 5 D HA -0.064 4.577 4.640 0.002 0.000 0.226 5 D C 0.726 177.061 176.300 0.058 0.000 1.020 5 D CA 0.567 54.651 54.000 0.139 0.000 0.892 5 D CB -0.391 40.466 40.800 0.096 0.000 0.900 5 D HN 0.405 nan 8.370 nan 0.000 0.531 6 N N -0.778 117.919 118.700 -0.005 0.000 2.235 6 N HA 0.114 4.855 4.740 0.002 0.000 0.209 6 N C -0.880 174.373 175.510 -0.428 0.000 1.122 6 N CA -0.041 52.876 53.050 -0.222 0.000 0.845 6 N CB 0.435 38.709 38.487 -0.354 0.000 1.004 6 N HN 0.091 nan 8.380 nan 0.000 0.499 7 Y N 0.763 121.068 120.300 0.008 0.000 2.524 7 Y HA 0.353 4.903 4.550 0.002 0.000 0.347 7 Y C -0.554 175.391 175.900 0.076 0.000 1.005 7 Y CA -1.331 56.772 58.100 0.005 0.000 1.025 7 Y CB 1.622 40.035 38.460 -0.079 0.000 1.275 7 Y HN -0.025 nan 8.280 nan 0.000 0.460 8 E N 0.515 120.886 120.200 0.286 0.000 2.383 8 E HA 0.720 5.071 4.350 0.002 0.000 0.275 8 E C -1.926 174.862 176.600 0.312 0.000 0.918 8 E CA -1.086 55.489 56.400 0.293 0.000 0.764 8 E CB 2.663 32.553 29.700 0.316 0.000 1.252 8 E HN 0.281 nan 8.360 nan 0.000 0.449 9 V N 1.355 121.480 119.914 0.352 0.000 2.483 9 V HA 0.261 4.382 4.120 0.002 0.000 0.295 9 V C -0.903 175.542 176.094 0.585 0.000 1.035 9 V CA -0.715 61.822 62.300 0.394 0.000 0.896 9 V CB 0.933 32.996 31.823 0.400 0.000 0.986 9 V HN 0.596 nan 8.190 nan 0.000 0.447 10 W N 3.815 125.262 121.300 0.245 0.000 2.338 10 W HA 0.441 5.102 4.660 0.002 0.000 0.307 10 W C -0.233 176.450 176.519 0.274 0.000 1.167 10 W CA -1.444 56.040 57.345 0.232 0.000 1.208 10 W CB 0.633 30.203 29.460 0.182 0.000 1.228 10 W HN 0.415 nan 8.180 nan 0.000 0.499 11 F N 5.014 125.140 119.950 0.293 0.000 2.390 11 F HA 0.412 4.939 4.527 0.001 0.000 0.361 11 F C 0.112 176.034 175.800 0.203 0.000 1.124 11 F CA -0.985 57.151 58.000 0.227 0.000 1.149 11 F CB 0.439 39.546 39.000 0.180 0.000 1.160 11 F HN 0.020 nan 8.300 nan 0.000 0.501 12 V N 5.152 125.062 119.914 -0.007 0.000 2.409 12 V HA 0.523 4.644 4.120 0.002 0.000 0.291 12 V C -0.315 175.767 176.094 -0.020 0.000 1.020 12 V CA -0.958 61.385 62.300 0.072 0.000 0.848 12 V CB 1.116 33.061 31.823 0.202 0.000 0.990 12 V HN 0.471 nan 8.190 nan 0.000 0.430 13 I N 4.445 125.036 120.570 0.035 0.000 2.342 13 I HA 0.647 4.818 4.170 0.002 0.000 0.291 13 I C 1.101 177.262 176.117 0.073 0.000 1.010 13 I CA 0.426 61.726 61.300 -0.000 0.000 1.308 13 I CB 1.441 39.420 38.000 -0.034 0.000 1.400 13 I HN 0.860 nan 8.210 nan 0.000 0.488 14 G N 3.518 112.383 108.800 0.108 0.000 2.356 14 G HA2 0.594 4.555 3.960 0.002 0.000 0.298 14 G HA3 0.594 4.555 3.960 0.002 0.000 0.298 14 G C -0.466 174.486 174.900 0.087 0.000 1.145 14 G CA -0.087 45.197 45.100 0.305 0.000 0.850 14 G HN 0.600 nan 8.290 nan 0.000 0.487 15 S N 0.455 116.222 115.700 0.111 0.000 2.873 15 S HA 0.691 5.162 4.470 0.002 0.000 0.303 15 S C -1.449 173.233 174.600 0.137 0.000 1.222 15 S CA -0.500 57.739 58.200 0.064 0.000 0.923 15 S CB 1.310 64.471 63.200 -0.064 0.000 1.286 15 S HN 1.027 nan 8.310 nan 0.000 0.571 16 Q N -0.008 119.901 119.800 0.183 0.000 2.379 16 Q HA 0.474 4.814 4.340 0.002 0.000 0.278 16 Q C -0.679 175.408 176.000 0.145 0.000 1.068 16 Q CA -0.849 55.057 55.803 0.171 0.000 0.816 16 Q CB 0.919 29.772 28.738 0.193 0.000 1.387 16 Q HN 0.765 nan 8.270 nan 0.000 0.413 17 H N 2.109 121.208 119.070 0.047 0.000 2.559 17 H HA 0.133 4.690 4.556 0.002 0.000 0.273 17 H C 0.853 176.188 175.328 0.012 0.000 1.000 17 H CA 0.907 56.967 56.048 0.020 0.000 1.195 17 H CB 0.463 30.221 29.762 -0.008 0.000 1.368 17 H HN 0.619 nan 8.280 nan 0.000 0.592 18 L N -0.580 120.702 121.223 0.098 0.000 2.591 18 L HA -0.042 4.299 4.340 0.002 0.000 0.228 18 L C 1.427 178.238 176.870 -0.098 0.000 1.133 18 L CA 0.041 54.877 54.840 -0.006 0.000 0.880 18 L CB -0.193 41.825 42.059 -0.069 0.000 1.033 18 L HN 0.207 nan 8.230 nan 0.000 0.450 19 Y N 0.573 120.872 120.300 -0.001 0.000 2.269 19 Y HA 0.194 4.745 4.550 0.001 0.000 0.294 19 Y C 1.433 177.307 175.900 -0.043 0.000 1.120 19 Y CA 0.715 58.799 58.100 -0.028 0.000 1.159 19 Y CB 0.570 38.993 38.460 -0.061 0.000 1.024 19 Y HN 0.156 nan 8.280 nan 0.000 0.532 20 G N -1.441 107.415 108.800 0.093 0.000 2.326 20 G HA2 -0.014 3.946 3.960 0.002 0.000 0.478 20 G HA3 -0.014 3.946 3.960 0.002 0.000 0.478 20 G C -2.567 172.314 174.900 -0.031 0.000 1.551 20 G CA -0.796 44.323 45.100 0.031 0.000 0.946 20 G HN -0.194 nan 8.290 nan 0.000 0.671 21 P HA 0.007 nan 4.420 nan 0.000 0.222 21 P C 1.360 178.603 177.300 -0.094 0.000 1.147 21 P CA 1.221 64.281 63.100 -0.068 0.000 0.790 21 P CB 0.361 32.042 31.700 -0.032 0.000 0.780 22 E N -1.217 118.934 120.200 -0.081 0.000 2.166 22 E HA -0.010 4.340 4.350 0.002 0.000 0.192 22 E C 1.886 178.396 176.600 -0.150 0.000 0.967 22 E CA 1.066 57.405 56.400 -0.102 0.000 0.840 22 E CB -1.223 28.434 29.700 -0.071 0.000 0.795 22 E HN 0.232 nan 8.360 nan 0.000 0.470 23 T N 2.660 117.130 114.554 -0.140 0.000 2.684 23 T HA -0.098 4.253 4.350 0.002 0.000 0.267 23 T C 2.135 176.653 174.700 -0.304 0.000 1.036 23 T CA 0.891 62.861 62.100 -0.216 0.000 1.148 23 T CB -0.276 68.493 68.868 -0.164 0.000 0.863 23 T HN 0.076 nan 8.240 nan 0.000 0.436 24 L N 0.793 121.868 121.223 -0.247 0.000 2.131 24 L HA -0.140 4.201 4.340 0.002 0.000 0.210 24 L C 3.409 180.110 176.870 -0.282 0.000 1.092 24 L CA 1.523 56.194 54.840 -0.282 0.000 0.759 24 L CB -0.775 41.130 42.059 -0.257 0.000 0.903 24 L HN 0.283 nan 8.230 nan 0.000 0.435 25 R N 0.044 120.404 120.500 -0.235 0.000 2.152 25 R HA -0.159 4.182 4.340 0.002 0.000 0.232 25 R C 1.886 178.014 176.300 -0.288 0.000 1.117 25 R CA 1.554 57.526 56.100 -0.214 0.000 0.981 25 R CB -1.034 29.171 30.300 -0.158 0.000 0.870 25 R HN 0.528 nan 8.270 nan 0.000 0.451 26 Q N -0.004 119.571 119.800 -0.375 0.000 2.302 26 Q HA 0.001 4.342 4.340 0.002 0.000 0.202 26 Q C 2.427 177.938 176.000 -0.815 0.000 0.936 26 Q CA 1.240 56.714 55.803 -0.547 0.000 0.886 26 Q CB 0.274 28.699 28.738 -0.522 0.000 0.986 26 Q HN 0.604 nan 8.270 nan 0.000 0.487 27 V N -2.298 117.167 119.914 -0.748 0.000 2.453 27 V HA -0.136 3.985 4.120 0.002 0.000 0.247 27 V C 1.939 177.726 176.094 -0.512 0.000 1.048 27 V CA 1.825 63.577 62.300 -0.913 0.000 1.049 27 V CB -1.029 30.185 31.823 -1.014 0.000 0.672 27 V HN 0.150 nan 8.190 nan 0.000 0.457 28 T N 0.092 114.426 114.554 -0.367 0.000 2.708 28 T HA -0.251 4.100 4.350 0.002 0.000 0.266 28 T C 1.964 176.562 174.700 -0.171 0.000 1.037 28 T CA 2.242 64.217 62.100 -0.208 0.000 1.146 28 T CB -0.409 68.356 68.868 -0.171 0.000 0.865 28 T HN 0.591 nan 8.240 nan 0.000 0.435 29 Q N 0.170 119.820 119.800 -0.249 0.000 2.062 29 Q HA -0.209 4.132 4.340 0.002 0.000 0.209 29 Q C 2.213 178.134 176.000 -0.132 0.000 0.996 29 Q CA 1.989 57.672 55.803 -0.201 0.000 0.859 29 Q CB -0.276 28.285 28.738 -0.295 0.000 0.920 29 Q HN 0.746 nan 8.270 nan 0.000 0.415 30 H N -1.009 117.850 119.070 -0.352 0.000 2.319 30 H HA -0.128 4.429 4.556 0.001 0.000 0.299 30 H C 2.069 177.412 175.328 0.025 0.000 1.092 30 H CA 0.574 56.360 56.048 -0.437 0.000 1.302 30 H CB 0.007 29.484 29.762 -0.475 0.000 1.373 30 H HN 0.358 nan 8.280 nan 0.000 0.497 31 A N 1.215 124.156 122.820 0.201 0.000 1.902 31 A HA -0.201 4.120 4.320 0.002 0.000 0.217 31 A C 2.113 179.772 177.584 0.126 0.000 1.181 31 A CA 1.724 53.936 52.037 0.292 0.000 0.623 31 A CB -0.314 18.831 19.000 0.243 0.000 0.818 31 A HN 0.465 nan 8.150 nan 0.000 0.443 32 E N -1.494 118.743 120.200 0.063 0.000 2.072 32 E HA -0.220 4.131 4.350 0.002 0.000 0.191 32 E C 1.933 178.540 176.600 0.011 0.000 0.985 32 E CA 1.329 57.739 56.400 0.018 0.000 0.801 32 E CB -0.309 29.393 29.700 0.004 0.000 0.750 32 E HN 0.885 nan 8.360 nan 0.000 0.452 33 H N 0.433 119.487 119.070 -0.027 0.000 2.290 33 H HA -0.132 4.425 4.556 0.002 0.000 0.298 33 H C 2.046 177.259 175.328 -0.193 0.000 1.087 33 H CA 1.986 58.022 56.048 -0.020 0.000 1.291 33 H CB -0.012 29.826 29.762 0.126 0.000 1.369 33 H HN -0.064 nan 8.280 nan 0.000 0.492 34 V N -0.369 119.463 119.914 -0.137 0.000 2.261 34 V HA -0.252 3.869 4.120 0.002 0.000 0.246 34 V C 2.555 178.421 176.094 -0.381 0.000 1.047 34 V CA 1.587 63.559 62.300 -0.546 0.000 1.015 34 V CB -0.553 30.956 31.823 -0.525 0.000 0.642 34 V HN 0.341 nan 8.190 nan 0.000 0.446 35 V N 0.723 120.417 119.914 -0.367 0.000 2.287 35 V HA -0.268 3.853 4.120 0.002 0.000 0.248 35 V C 2.371 178.334 176.094 -0.218 0.000 1.053 35 V CA 2.296 64.356 62.300 -0.400 0.000 1.027 35 V CB -0.934 30.685 31.823 -0.339 0.000 0.646 35 V HN 0.565 nan 8.190 nan 0.000 0.447 36 N N 0.732 119.334 118.700 -0.163 0.000 2.069 36 N HA -0.158 4.583 4.740 0.002 0.000 0.191 36 N C 1.876 177.320 175.510 -0.109 0.000 1.031 36 N CA 1.827 54.805 53.050 -0.120 0.000 0.852 36 N CB -0.704 37.714 38.487 -0.115 0.000 1.018 36 N HN 0.499 nan 8.380 nan 0.000 0.423 37 A N 0.906 123.651 122.820 -0.125 0.000 1.972 37 A HA -0.061 4.260 4.320 0.002 0.000 0.219 37 A C 2.361 179.945 177.584 -0.000 0.000 1.169 37 A CA 0.978 53.005 52.037 -0.016 0.000 0.635 37 A CB -0.619 18.473 19.000 0.153 0.000 0.810 37 A HN 0.231 nan 8.150 nan 0.000 0.446 38 L N -0.620 120.569 121.223 -0.057 0.000 2.095 38 L HA -0.119 4.222 4.340 0.002 0.000 0.204 38 L C 2.249 179.054 176.870 -0.108 0.000 1.080 38 L CA 0.903 55.672 54.840 -0.118 0.000 0.759 38 L CB -0.602 41.370 42.059 -0.146 0.000 0.914 38 L HN 0.338 nan 8.230 nan 0.000 0.439 39 N N -0.380 118.269 118.700 -0.085 0.000 2.166 39 N HA -0.137 4.603 4.740 0.002 0.000 0.186 39 N C 1.800 177.285 175.510 -0.042 0.000 1.019 39 N CA 1.870 54.890 53.050 -0.051 0.000 0.856 39 N CB -0.339 38.125 38.487 -0.037 0.000 0.993 39 N HN 0.303 nan 8.380 nan 0.000 0.426 40 T N 0.178 114.706 114.554 -0.043 0.000 2.812 40 T HA -0.029 4.322 4.350 0.002 0.000 0.264 40 T C 1.773 176.456 174.700 -0.027 0.000 1.042 40 T CA 1.904 63.987 62.100 -0.029 0.000 1.140 40 T CB -0.034 68.819 68.868 -0.025 0.000 0.870 40 T HN 0.588 nan 8.240 nan 0.000 0.445 41 E N -0.402 119.775 120.200 -0.038 0.000 2.641 41 E HA 0.711 5.061 4.350 0.002 0.000 0.224 41 E C 1.379 177.937 176.600 -0.070 0.000 0.951 41 E CA 0.497 56.879 56.400 -0.030 0.000 1.102 41 E CB -0.205 29.498 29.700 0.006 0.000 1.091 41 E HN 0.468 nan 8.360 nan 0.000 0.507 42 A N -0.471 122.261 122.820 -0.146 0.000 2.303 42 A HA 0.524 4.845 4.320 0.002 0.000 0.217 42 A C 1.925 179.437 177.584 -0.121 0.000 1.205 42 A CA 1.492 53.369 52.037 -0.266 0.000 0.875 42 A CB -0.296 18.372 19.000 -0.553 0.000 0.910 42 A HN 1.403 nan 8.150 nan 0.000 0.501 43 K N -0.295 120.062 120.400 -0.071 0.000 3.148 43 K HA -0.150 4.171 4.320 0.002 0.000 0.267 43 K C -0.143 176.433 176.600 -0.040 0.000 0.996 43 K CA 1.481 57.742 56.287 -0.042 0.000 0.737 43 K CB -3.041 29.443 32.500 -0.027 0.000 1.308 43 K HN 0.623 nan 8.250 nan 0.000 0.470 44 L N -0.782 120.419 121.223 -0.036 0.000 2.418 44 L HA 0.346 4.687 4.340 0.002 0.000 0.265 44 L C -0.283 176.584 176.870 -0.005 0.000 1.143 44 L CA -1.915 52.920 54.840 -0.008 0.000 0.809 44 L CB 1.030 43.098 42.059 0.015 0.000 1.124 44 L HN 0.203 nan 8.230 nan 0.000 0.456 45 P HA -0.132 nan 4.420 nan 0.000 0.217 45 P C 0.133 177.491 177.300 0.096 0.000 1.151 45 P CA 1.006 64.057 63.100 -0.082 0.000 0.849 45 P CB -0.068 31.635 31.700 0.005 0.000 0.787 46 C N -5.663 113.755 119.300 0.196 0.000 3.311 46 C HA 0.874 5.335 4.460 0.002 0.000 0.366 46 C C -0.029 175.061 174.990 0.166 0.000 1.694 46 C CA -1.005 58.150 59.018 0.228 0.000 1.244 46 C CB 0.937 28.878 27.740 0.334 0.000 2.038 46 C HN 0.196 nan 8.230 nan 0.000 0.436 47 K N 0.237 120.737 120.400 0.167 0.000 2.218 47 K HA 0.698 5.019 4.320 0.002 0.000 0.276 47 K C -0.781 175.925 176.600 0.175 0.000 1.022 47 K CA -0.274 56.094 56.287 0.136 0.000 0.946 47 K CB -0.013 32.558 32.500 0.118 0.000 1.000 47 K HN 0.725 nan 8.250 nan 0.000 0.468 48 L N 1.986 123.290 121.223 0.136 0.000 2.276 48 L HA 0.422 4.763 4.340 0.002 0.000 0.286 48 L C -0.541 176.413 176.870 0.140 0.000 1.061 48 L CA -1.193 53.752 54.840 0.175 0.000 0.807 48 L CB 1.781 43.892 42.059 0.086 0.000 1.177 48 L HN 0.447 nan 8.230 nan 0.000 0.429 49 V N 4.728 124.760 119.914 0.197 0.000 2.357 49 V HA 0.200 4.321 4.120 0.002 0.000 0.284 49 V C -0.008 176.125 176.094 0.067 0.000 1.018 49 V CA -0.661 61.682 62.300 0.071 0.000 0.841 49 V CB 1.682 33.490 31.823 -0.024 0.000 0.991 49 V HN 0.441 nan 8.190 nan 0.000 0.437 50 L N 7.035 128.293 121.223 0.058 0.000 2.456 50 L HA 0.319 4.660 4.340 0.002 0.000 0.277 50 L C 0.490 177.349 176.870 -0.017 0.000 1.124 50 L CA 0.551 55.459 54.840 0.113 0.000 0.880 50 L CB -0.198 41.915 42.059 0.091 0.000 1.192 50 L HN 0.464 nan 8.230 nan 0.000 0.463 51 K N 5.499 125.878 120.400 -0.036 0.000 2.120 51 K HA 0.388 4.709 4.320 0.002 0.000 0.245 51 K C -2.124 174.444 176.600 -0.055 0.000 1.024 51 K CA -1.598 54.608 56.287 -0.135 0.000 0.906 51 K CB -0.075 32.325 32.500 -0.167 0.000 1.051 51 K HN 0.432 nan 8.250 nan 0.000 0.491 52 P HA 0.045 nan 4.420 nan 0.000 0.269 52 P C -0.231 177.043 177.300 -0.043 0.000 1.217 52 P CA -0.079 62.987 63.100 -0.056 0.000 0.783 52 P CB 0.347 32.010 31.700 -0.061 0.000 0.898 53 L N 1.118 122.309 121.223 -0.054 0.000 2.455 53 L HA 0.172 4.513 4.340 0.002 0.000 0.272 53 L C 1.383 178.216 176.870 -0.063 0.000 1.174 53 L CA 0.022 54.824 54.840 -0.062 0.000 0.869 53 L CB -0.190 41.807 42.059 -0.104 0.000 1.130 53 L HN 0.487 nan 8.230 nan 0.000 0.474 54 G N 1.423 110.185 108.800 -0.063 0.000 2.639 54 G HA2 0.320 4.281 3.960 0.002 0.000 0.312 54 G HA3 0.320 4.281 3.960 0.002 0.000 0.312 54 G C 0.783 175.617 174.900 -0.110 0.000 0.911 54 G CA -0.105 44.908 45.100 -0.144 0.000 1.410 54 G HN 0.810 nan 8.290 nan 0.000 0.469 55 T N -1.252 113.263 114.554 -0.065 0.000 2.978 55 T HA 0.187 4.538 4.350 0.002 0.000 0.248 55 T C 1.313 176.035 174.700 0.037 0.000 1.018 55 T CA 0.705 62.813 62.100 0.013 0.000 1.026 55 T CB 0.354 69.245 68.868 0.038 0.000 1.032 55 T HN 0.616 nan 8.240 nan 0.000 0.485 56 T N -0.574 113.975 114.554 -0.010 0.000 2.942 56 T HA 0.557 4.908 4.350 0.002 0.000 0.289 56 T C -2.339 172.290 174.700 -0.119 0.000 1.044 56 T CA -1.985 60.092 62.100 -0.039 0.000 1.023 56 T CB 2.101 70.946 68.868 -0.039 0.000 1.123 56 T HN -0.290 nan 8.240 nan 0.000 0.512 57 P HA -0.093 nan 4.420 nan 0.000 0.214 57 P C 1.149 178.382 177.300 -0.113 0.000 1.163 57 P CA 1.158 64.189 63.100 -0.113 0.000 0.889 57 P CB -0.013 31.655 31.700 -0.054 0.000 0.790 58 D N -0.534 119.819 120.400 -0.079 0.000 2.149 58 D HA -0.169 4.472 4.640 0.002 0.000 0.198 58 D C 1.885 178.142 176.300 -0.073 0.000 0.990 58 D CA 1.094 55.056 54.000 -0.064 0.000 0.839 58 D CB -0.316 40.454 40.800 -0.051 0.000 0.948 58 D HN 0.365 nan 8.370 nan 0.000 0.460 59 E N 0.078 120.224 120.200 -0.091 0.000 2.072 59 E HA -0.082 4.269 4.350 0.002 0.000 0.191 59 E C 2.313 178.831 176.600 -0.137 0.000 0.985 59 E CA 0.391 56.735 56.400 -0.093 0.000 0.801 59 E CB 0.092 29.743 29.700 -0.082 0.000 0.750 59 E HN 0.285 nan 8.360 nan 0.000 0.452 60 I N 0.563 120.989 120.570 -0.240 0.000 2.353 60 I HA -0.205 3.966 4.170 0.002 0.000 0.248 60 I C 2.303 178.320 176.117 -0.167 0.000 1.119 60 I CA 0.912 61.994 61.300 -0.364 0.000 1.417 60 I CB -0.112 37.422 38.000 -0.776 0.000 1.078 60 I HN 0.085 nan 8.210 nan 0.000 0.421 61 T N 0.818 115.307 114.554 -0.108 0.000 2.708 61 T HA -0.177 4.173 4.350 0.002 0.000 0.266 61 T C 2.082 176.785 174.700 0.005 0.000 1.037 61 T CA 1.500 63.583 62.100 -0.028 0.000 1.146 61 T CB -0.350 68.504 68.868 -0.024 0.000 0.865 61 T HN 0.459 nan 8.240 nan 0.000 0.435 62 A N 0.973 123.788 122.820 -0.008 0.000 1.940 62 A HA -0.074 4.247 4.320 0.002 0.000 0.219 62 A C 2.286 179.916 177.584 0.077 0.000 1.176 62 A CA 1.351 53.401 52.037 0.021 0.000 0.631 62 A CB -0.820 18.180 19.000 -0.001 0.000 0.814 62 A HN 0.544 nan 8.150 nan 0.000 0.446 63 I N -0.895 119.721 120.570 0.078 0.000 2.252 63 I HA -0.288 3.883 4.170 0.002 0.000 0.245 63 I C 2.440 178.718 176.117 0.269 0.000 1.102 63 I CA 1.041 62.456 61.300 0.192 0.000 1.385 63 I CB -0.341 37.745 38.000 0.143 0.000 1.064 63 I HN 0.391 nan 8.210 nan 0.000 0.414 64 C N 0.251 119.649 119.300 0.164 0.000 2.446 64 C HA -0.142 4.319 4.460 0.002 0.000 0.277 64 C C 2.945 178.008 174.990 0.122 0.000 1.275 64 C CA 0.870 59.975 59.018 0.145 0.000 1.727 64 C CB -1.172 26.642 27.740 0.122 0.000 2.010 64 C HN 0.483 nan 8.230 nan 0.000 0.486 65 R N 1.307 121.873 120.500 0.111 0.000 2.081 65 R HA -0.148 4.193 4.340 0.002 0.000 0.235 65 R C 1.589 177.977 176.300 0.146 0.000 1.131 65 R CA 2.266 58.425 56.100 0.098 0.000 0.960 65 R CB -0.451 29.885 30.300 0.060 0.000 0.856 65 R HN 0.447 nan 8.270 nan 0.000 0.436 66 D N 0.677 121.203 120.400 0.211 0.000 2.097 66 D HA -0.141 4.500 4.640 0.002 0.000 0.195 66 D C 1.869 178.335 176.300 0.278 0.000 0.989 66 D CA 1.632 55.834 54.000 0.336 0.000 0.827 66 D CB -0.483 40.617 40.800 0.500 0.000 0.966 66 D HN 0.430 nan 8.370 nan 0.000 0.456 67 A N 1.367 124.244 122.820 0.094 0.000 1.892 67 A HA -0.263 4.058 4.320 0.002 0.000 0.218 67 A C 2.026 179.489 177.584 -0.202 0.000 1.188 67 A CA 1.793 53.568 52.037 -0.436 0.000 0.631 67 A CB -0.668 18.140 19.000 -0.320 0.000 0.822 67 A HN 0.114 nan 8.150 nan 0.000 0.447 68 N N -1.443 117.243 118.700 -0.022 0.000 2.061 68 N HA -0.204 4.537 4.740 0.002 0.000 0.193 68 N C 1.543 177.095 175.510 0.070 0.000 1.030 68 N CA 1.922 54.988 53.050 0.026 0.000 0.856 68 N CB -0.667 37.863 38.487 0.071 0.000 1.023 68 N HN 0.716 nan 8.380 nan 0.000 0.424 69 Y N 0.751 121.057 120.300 0.009 0.000 2.439 69 Y HA -0.021 4.530 4.550 0.002 0.000 0.292 69 Y C 0.135 176.058 175.900 0.040 0.000 1.130 69 Y CA 0.388 58.509 58.100 0.035 0.000 1.254 69 Y CB 0.189 38.685 38.460 0.059 0.000 1.000 69 Y HN -0.113 nan 8.280 nan 0.000 0.554 70 D N 0.749 121.167 120.400 0.031 0.000 2.347 70 D HA 0.024 4.665 4.640 0.002 0.000 0.235 70 D C 0.269 176.525 176.300 -0.074 0.000 1.149 70 D CA -0.018 53.979 54.000 -0.005 0.000 0.850 70 D CB 0.834 41.733 40.800 0.166 0.000 1.061 70 D HN 0.274 nan 8.370 nan 0.000 0.487 71 D N 3.915 124.250 120.400 -0.108 0.000 2.117 71 D HA -0.103 4.538 4.640 0.002 0.000 0.197 71 D C -0.903 175.370 176.300 -0.045 0.000 0.987 71 D CA 0.872 54.831 54.000 -0.068 0.000 0.829 71 D CB -0.959 39.772 40.800 -0.114 0.000 0.961 71 D HN 0.467 nan 8.370 nan 0.000 0.460 72 P HA -0.047 nan 4.420 nan 0.000 0.228 72 P C 0.401 177.769 177.300 0.114 0.000 1.151 72 P CA 0.313 63.362 63.100 -0.084 0.000 0.770 72 P CB -0.092 31.577 31.700 -0.052 0.000 0.786 73 C N 0.475 119.773 119.300 -0.004 0.000 2.540 73 C HA 0.511 4.972 4.460 0.002 0.000 0.377 73 C C 1.770 176.693 174.990 -0.113 0.000 1.274 73 C CA -0.067 58.814 59.018 -0.228 0.000 1.718 73 C CB -1.644 25.611 27.740 -0.809 0.000 2.391 73 C HN 0.289 nan 8.230 nan 0.000 0.565 74 A N 4.477 127.277 122.820 -0.034 0.000 2.238 74 A HA 0.614 4.935 4.320 0.002 0.000 0.210 74 A C 1.041 178.550 177.584 -0.125 0.000 1.179 74 A CA 0.737 52.711 52.037 -0.105 0.000 0.827 74 A CB -0.326 18.561 19.000 -0.188 0.000 0.856 74 A HN 1.713 nan 8.150 nan 0.000 0.488 75 G N -1.620 107.152 108.800 -0.046 0.000 2.337 75 G HA2 0.415 4.376 3.960 0.002 0.000 0.298 75 G HA3 0.415 4.376 3.960 0.002 0.000 0.298 75 G C -1.489 173.551 174.900 0.234 0.000 1.335 75 G CA -0.858 44.325 45.100 0.139 0.000 0.875 75 G HN 0.425 nan 8.290 nan 0.000 0.579 76 L N -0.154 121.257 121.223 0.314 0.000 2.342 76 L HA 0.829 5.170 4.340 0.002 0.000 0.271 76 L C -0.034 176.914 176.870 0.131 0.000 1.008 76 L CA -1.373 53.625 54.840 0.264 0.000 0.818 76 L CB 1.941 44.131 42.059 0.219 0.000 1.296 76 L HN 0.599 nan 8.230 nan 0.000 0.427 77 V N 3.815 123.780 119.914 0.085 0.000 2.357 77 V HA 0.580 4.701 4.120 0.002 0.000 0.284 77 V C -0.345 175.603 176.094 -0.244 0.000 1.018 77 V CA -0.518 61.704 62.300 -0.131 0.000 0.841 77 V CB 1.825 33.642 31.823 -0.009 0.000 0.991 77 V HN 0.537 nan 8.190 nan 0.000 0.437 78 V N 4.976 124.717 119.914 -0.288 0.000 2.394 78 V HA 0.661 4.782 4.120 0.002 0.000 0.282 78 V C -0.780 175.138 176.094 -0.293 0.000 1.031 78 V CA -0.693 61.400 62.300 -0.345 0.000 0.881 78 V CB 1.359 32.861 31.823 -0.535 0.000 0.982 78 V HN 1.021 nan 8.190 nan 0.000 0.451 79 W N 6.670 127.663 121.300 -0.511 0.000 2.349 79 W HA 0.652 5.313 4.660 0.001 0.000 0.309 79 W C -0.789 175.566 176.519 -0.274 0.000 1.083 79 W CA -2.194 54.931 57.345 -0.367 0.000 1.224 79 W CB 1.340 30.610 29.460 -0.316 0.000 1.256 79 W HN 0.662 nan 8.180 nan 0.000 0.461 80 L N 7.641 128.865 121.223 0.003 0.000 2.389 80 L HA 0.039 4.380 4.340 0.002 0.000 0.265 80 L C 1.847 178.547 176.870 -0.284 0.000 1.167 80 L CA -0.355 54.382 54.840 -0.172 0.000 1.045 80 L CB 0.004 41.970 42.059 -0.155 0.000 1.351 80 L HN 0.593 nan 8.230 nan 0.000 0.419 81 H N 1.666 120.310 119.070 -0.710 0.000 2.326 81 H HA -0.048 4.509 4.556 0.002 0.000 0.301 81 H C 0.946 175.994 175.328 -0.467 0.000 1.081 81 H CA 1.673 57.169 56.048 -0.920 0.000 1.334 81 H CB 0.497 29.593 29.762 -1.110 0.000 1.385 81 H HN 0.603 nan 8.280 nan 0.000 0.504 82 T N -3.147 111.326 114.554 -0.136 0.000 2.804 82 T HA 0.266 4.617 4.350 0.002 0.000 0.272 82 T C -0.130 174.620 174.700 0.084 0.000 0.986 82 T CA -0.960 61.094 62.100 -0.076 0.000 0.999 82 T CB 0.689 69.451 68.868 -0.177 0.000 1.307 82 T HN 0.015 nan 8.240 nan 0.000 0.586 83 F N 2.735 122.740 119.950 0.090 0.000 2.543 83 F HA 0.415 4.943 4.527 0.002 0.000 0.375 83 F C 0.608 176.543 175.800 0.225 0.000 1.075 83 F CA -0.144 57.974 58.000 0.196 0.000 1.225 83 F CB 0.423 39.621 39.000 0.330 0.000 1.099 83 F HN 0.706 nan 8.300 nan 0.000 0.561 84 S N 7.158 122.784 115.700 -0.124 0.000 2.539 84 S HA 0.511 4.982 4.470 0.002 0.000 0.235 84 S C -2.958 171.608 174.600 -0.056 0.000 1.326 84 S CA -1.615 56.624 58.200 0.064 0.000 1.183 84 S CB 0.946 64.331 63.200 0.308 0.000 1.073 84 S HN 0.319 nan 8.310 nan 0.000 0.480 85 P HA 0.091 nan 4.420 nan 0.000 0.261 85 P C 0.931 178.300 177.300 0.114 0.000 1.173 85 P CA 0.170 63.187 63.100 -0.138 0.000 0.760 85 P CB 0.429 32.168 31.700 0.065 0.000 0.783 86 A N 4.547 127.417 122.820 0.083 0.000 1.969 86 A HA -0.187 4.134 4.320 0.002 0.000 0.218 86 A C 1.913 179.650 177.584 0.255 0.000 1.169 86 A CA 1.372 53.526 52.037 0.194 0.000 0.635 86 A CB -0.774 18.293 19.000 0.112 0.000 0.810 86 A HN 0.487 nan 8.150 nan 0.000 0.445 87 K N -0.619 119.890 120.400 0.182 0.000 2.160 87 K HA -0.126 4.195 4.320 0.002 0.000 0.206 87 K C 1.911 178.604 176.600 0.154 0.000 1.047 87 K CA 1.724 58.100 56.287 0.150 0.000 0.930 87 K CB -0.314 32.251 32.500 0.107 0.000 0.720 87 K HN 0.531 nan 8.250 nan 0.000 0.450 88 M N -1.218 118.483 119.600 0.168 0.000 2.260 88 M HA -0.210 4.271 4.480 0.002 0.000 0.261 88 M C 1.103 177.405 176.300 0.003 0.000 1.066 88 M CA 1.598 56.933 55.300 0.059 0.000 1.082 88 M CB -0.312 32.289 32.600 0.002 0.000 1.388 88 M HN 0.274 nan 8.290 nan 0.000 0.419 89 W N -0.215 121.129 121.300 0.074 0.000 3.077 89 W HA 0.198 4.859 4.660 0.001 0.000 0.266 89 W C 1.825 178.378 176.519 0.058 0.000 1.300 89 W CA -0.138 57.265 57.345 0.097 0.000 1.586 89 W CB -0.373 29.189 29.460 0.170 0.000 1.103 89 W HN 0.080 nan 8.180 nan 0.000 0.652 90 I N 0.870 121.571 120.570 0.218 0.000 2.127 90 I HA -0.386 3.784 4.170 0.002 0.000 0.241 90 I C 1.896 178.071 176.117 0.096 0.000 1.075 90 I CA 1.517 62.893 61.300 0.127 0.000 1.334 90 I CB -0.470 37.581 38.000 0.086 0.000 1.040 90 I HN -0.036 nan 8.210 nan 0.000 0.405 91 N N 0.988 119.732 118.700 0.073 0.000 2.188 91 N HA -0.097 4.644 4.740 0.002 0.000 0.184 91 N C 1.846 177.392 175.510 0.060 0.000 1.018 91 N CA 1.410 54.490 53.050 0.050 0.000 0.858 91 N CB -0.669 37.834 38.487 0.027 0.000 0.989 91 N HN 0.381 nan 8.380 nan 0.000 0.426 92 G N 0.815 109.658 108.800 0.072 0.000 2.418 92 G HA2 -0.165 3.796 3.960 0.002 0.000 0.217 92 G HA3 -0.165 3.796 3.960 0.002 0.000 0.217 92 G C 1.449 176.433 174.900 0.139 0.000 1.158 92 G CA 0.431 45.586 45.100 0.092 0.000 0.771 92 G HN 0.236 nan 8.290 nan 0.000 0.545 93 L N 1.250 122.582 121.223 0.181 0.000 2.156 93 L HA -0.047 4.294 4.340 0.002 0.000 0.208 93 L C 3.237 180.172 176.870 0.109 0.000 1.095 93 L CA 1.557 56.505 54.840 0.181 0.000 0.770 93 L CB -0.801 41.379 42.059 0.202 0.000 0.914 93 L HN 0.379 nan 8.230 nan 0.000 0.439 94 T N -2.035 112.565 114.554 0.077 0.000 2.915 94 T HA -0.161 4.190 4.350 0.002 0.000 0.269 94 T C 1.551 176.277 174.700 0.045 0.000 1.071 94 T CA 1.218 63.345 62.100 0.046 0.000 1.132 94 T CB -0.273 68.613 68.868 0.031 0.000 0.878 94 T HN 0.361 nan 8.240 nan 0.000 0.479 95 M N 0.071 119.704 119.600 0.055 0.000 2.509 95 M HA 0.437 4.918 4.480 0.002 0.000 0.250 95 M C 0.490 176.824 176.300 0.056 0.000 1.132 95 M CA -0.160 55.169 55.300 0.049 0.000 1.080 95 M CB -0.377 32.251 32.600 0.046 0.000 1.408 95 M HN 0.040 nan 8.290 nan 0.000 0.484 96 L N 2.555 123.823 121.223 0.076 0.000 2.500 96 L HA 0.105 4.445 4.340 0.002 0.000 0.272 96 L C 0.400 177.305 176.870 0.057 0.000 1.149 96 L CA 0.936 55.825 54.840 0.081 0.000 0.897 96 L CB -0.181 41.952 42.059 0.124 0.000 1.178 96 L HN 0.257 nan 8.230 nan 0.000 0.473 97 N N 2.313 121.034 118.700 0.034 0.000 2.353 97 N HA 0.066 4.807 4.740 0.002 0.000 0.185 97 N C -0.433 175.076 175.510 -0.001 0.000 1.098 97 N CA 0.104 53.161 53.050 0.012 0.000 0.872 97 N CB 0.326 38.814 38.487 0.003 0.000 0.970 97 N HN 0.457 nan 8.380 nan 0.000 0.467 98 K N 0.946 121.351 120.400 0.009 0.000 2.156 98 K HA 0.375 4.696 4.320 0.002 0.000 0.254 98 K C -2.392 174.247 176.600 0.065 0.000 0.950 98 K CA -2.233 54.053 56.287 -0.001 0.000 0.849 98 K CB 1.411 33.883 32.500 -0.046 0.000 1.100 98 K HN -0.155 nan 8.250 nan 0.000 0.434 99 P HA 0.214 nan 4.420 nan 0.000 0.274 99 P C -1.320 176.215 177.300 0.392 0.000 1.246 99 P CA -0.578 62.651 63.100 0.215 0.000 0.795 99 P CB 0.763 32.556 31.700 0.155 0.000 1.006 100 L N 1.036 122.497 121.223 0.398 0.000 2.445 100 L HA 0.672 5.013 4.340 0.002 0.000 0.262 100 L C -1.773 174.991 176.870 -0.176 0.000 0.974 100 L CA -0.875 54.036 54.840 0.119 0.000 0.822 100 L CB 1.936 43.950 42.059 -0.074 0.000 1.339 100 L HN 0.318 nan 8.230 nan 0.000 0.409 101 L N 3.136 124.004 121.223 -0.592 0.000 2.386 101 L HA 0.577 4.918 4.340 0.002 0.000 0.271 101 L C -0.975 175.648 176.870 -0.411 0.000 0.993 101 L CA -0.280 54.116 54.840 -0.741 0.000 0.819 101 L CB 1.803 42.936 42.059 -1.544 0.000 1.294 101 L HN 0.847 nan 8.230 nan 0.000 0.414 102 Q N 3.502 123.160 119.800 -0.237 0.000 2.322 102 Q HA 0.208 4.549 4.340 0.002 0.000 0.256 102 Q C -1.516 174.486 176.000 0.003 0.000 0.960 102 Q CA -0.657 55.061 55.803 -0.141 0.000 0.934 102 Q CB 1.038 29.742 28.738 -0.057 0.000 1.200 102 Q HN 0.610 nan 8.270 nan 0.000 0.435 103 F N 5.591 125.433 119.950 -0.181 0.000 2.406 103 F HA 0.132 4.660 4.527 0.002 0.000 0.358 103 F C -0.512 175.238 175.800 -0.084 0.000 1.161 103 F CA -0.781 57.142 58.000 -0.129 0.000 1.185 103 F CB -0.001 38.919 39.000 -0.134 0.000 1.421 103 F HN 0.608 nan 8.300 nan 0.000 0.576 104 H N 4.568 123.674 119.070 0.059 0.000 3.216 104 H HA 0.142 4.699 4.556 0.002 0.000 0.263 104 H C -0.135 175.064 175.328 -0.216 0.000 1.601 104 H CA 0.311 56.322 56.048 -0.062 0.000 1.509 104 H CB 0.231 30.006 29.762 0.023 0.000 1.759 104 H HN 0.616 nan 8.280 nan 0.000 0.533 105 T N 2.437 116.587 114.554 -0.673 0.000 2.883 105 T HA 0.334 4.685 4.350 0.002 0.000 0.284 105 T C -1.057 173.362 174.700 -0.467 0.000 1.041 105 T CA -0.584 61.013 62.100 -0.838 0.000 1.007 105 T CB 2.393 70.174 68.868 -1.812 0.000 1.220 105 T HN 0.665 nan 8.240 nan 0.000 0.552 106 Q N 0.275 119.910 119.800 -0.274 0.000 2.416 106 Q HA 0.405 4.746 4.340 0.002 0.000 0.281 106 Q C -0.524 175.614 176.000 0.231 0.000 1.067 106 Q CA -0.688 55.154 55.803 0.065 0.000 0.809 106 Q CB 1.684 30.451 28.738 0.048 0.000 1.418 106 Q HN 0.654 nan 8.270 nan 0.000 0.411 107 F N 2.273 122.320 119.950 0.161 0.000 2.060 107 F HA -0.037 4.491 4.527 0.001 0.000 0.295 107 F C 1.092 177.140 175.800 0.413 0.000 1.120 107 F CA 1.241 59.341 58.000 0.166 0.000 1.205 107 F CB 0.100 38.874 39.000 -0.376 0.000 0.986 107 F HN 0.662 nan 8.300 nan 0.000 0.470 108 N N 0.937 119.793 118.700 0.260 0.000 2.530 108 N HA 0.166 4.906 4.740 0.002 0.000 0.273 108 N C 0.557 176.050 175.510 -0.029 0.000 1.173 108 N CA 0.569 53.688 53.050 0.115 0.000 0.967 108 N CB 1.321 39.920 38.487 0.187 0.000 1.109 108 N HN 0.272 nan 8.380 nan 0.000 0.453 109 A N 2.183 124.740 122.820 -0.437 0.000 1.850 109 A HA 0.315 4.636 4.320 0.002 0.000 0.212 109 A C 1.091 178.511 177.584 -0.273 0.000 1.208 109 A CA 1.101 52.755 52.037 -0.638 0.000 0.609 109 A CB -0.818 17.623 19.000 -0.931 0.000 0.860 109 A HN 0.917 nan 8.150 nan 0.000 0.448 110 A N -0.654 122.033 122.820 -0.222 0.000 2.304 110 A HA 0.573 4.894 4.320 0.002 0.000 0.301 110 A C -0.340 177.095 177.584 -0.249 0.000 1.132 110 A CA -0.488 51.442 52.037 -0.177 0.000 0.819 110 A CB 0.214 19.145 19.000 -0.115 0.000 1.094 110 A HN 0.616 nan 8.150 nan 0.000 0.492 111 L N 3.704 124.648 121.223 -0.464 0.000 2.361 111 L HA 0.362 4.703 4.340 0.002 0.000 0.278 111 L C -1.824 174.498 176.870 -0.914 0.000 1.113 111 L CA -1.580 52.797 54.840 -0.771 0.000 0.849 111 L CB 0.698 41.984 42.059 -1.289 0.000 1.155 111 L HN 0.439 nan 8.230 nan 0.000 0.452 112 P HA 0.020 nan 4.420 nan 0.000 0.237 112 P C 0.087 177.161 177.300 -0.377 0.000 1.788 112 P CA -0.066 62.764 63.100 -0.450 0.000 1.061 112 P CB -0.372 31.082 31.700 -0.410 0.000 1.967 113 W N 2.064 123.282 121.300 -0.138 0.000 2.304 113 W HA -0.247 4.414 4.660 0.001 0.000 0.315 113 W C 1.904 178.366 176.519 -0.095 0.000 1.233 113 W CA 1.859 59.140 57.345 -0.106 0.000 1.261 113 W CB -1.224 28.196 29.460 -0.067 0.000 1.150 113 W HN 0.260 nan 8.180 nan 0.000 0.494 114 D N -0.495 119.990 120.400 0.142 0.000 2.234 114 D HA -0.107 4.534 4.640 0.002 0.000 0.205 114 D C 1.788 178.093 176.300 0.007 0.000 0.962 114 D CA 1.696 55.736 54.000 0.068 0.000 0.855 114 D CB -1.167 39.670 40.800 0.061 0.000 0.951 114 D HN 0.336 nan 8.370 nan 0.000 0.500 115 S N -0.219 115.452 115.700 -0.049 0.000 2.502 115 S HA 0.114 4.585 4.470 0.002 0.000 0.215 115 S C 1.060 175.591 174.600 -0.114 0.000 1.009 115 S CA -0.659 57.503 58.200 -0.063 0.000 0.908 115 S CB -0.249 62.917 63.200 -0.056 0.000 0.801 115 S HN 0.267 nan 8.310 nan 0.000 0.505 116 I N 3.923 124.356 120.570 -0.229 0.000 2.826 116 I HA 0.057 4.228 4.170 0.002 0.000 0.295 116 I C -0.560 175.509 176.117 -0.080 0.000 1.213 116 I CA 0.669 61.782 61.300 -0.312 0.000 1.436 116 I CB 0.208 37.962 38.000 -0.410 0.000 1.348 116 I HN 0.480 nan 8.210 nan 0.000 0.570 117 D N 5.828 126.240 120.400 0.020 0.000 2.825 117 D HA 0.145 4.786 4.640 0.002 0.000 0.327 117 D C 0.321 176.700 176.300 0.133 0.000 1.277 117 D CA -0.649 53.394 54.000 0.072 0.000 0.950 117 D CB 0.556 41.393 40.800 0.062 0.000 1.438 117 D HN 0.257 nan 8.370 nan 0.000 0.526 118 M N 0.428 120.092 119.600 0.106 0.000 2.149 118 M HA -0.087 4.394 4.480 0.002 0.000 0.261 118 M C 0.990 177.363 176.300 0.122 0.000 1.064 118 M CA 1.476 56.843 55.300 0.112 0.000 1.102 118 M CB -1.117 31.533 32.600 0.083 0.000 1.369 118 M HN 0.454 nan 8.290 nan 0.000 0.408 119 D N -0.311 120.157 120.400 0.112 0.000 2.103 119 D HA -0.212 4.429 4.640 0.002 0.000 0.190 119 D C 1.859 178.220 176.300 0.102 0.000 0.997 119 D CA 1.304 55.360 54.000 0.092 0.000 0.833 119 D CB -0.528 40.322 40.800 0.083 0.000 0.961 119 D HN 0.369 nan 8.370 nan 0.000 0.447 120 F N 0.352 120.309 119.950 0.013 0.000 2.202 120 F HA -0.195 4.333 4.527 0.001 0.000 0.301 120 F C 2.367 178.176 175.800 0.014 0.000 1.082 120 F CA 1.101 59.111 58.000 0.016 0.000 1.313 120 F CB 0.008 39.016 39.000 0.015 0.000 1.024 120 F HN -0.138 nan 8.300 nan 0.000 0.495 121 M N 0.614 120.349 119.600 0.223 0.000 2.334 121 M HA -0.052 4.429 4.480 0.002 0.000 0.266 121 M C 1.842 178.183 176.300 0.069 0.000 1.082 121 M CA 1.390 56.792 55.300 0.169 0.000 1.141 121 M CB -0.437 32.281 32.600 0.197 0.000 1.380 121 M HN 0.296 nan 8.290 nan 0.000 0.440 122 N N 0.335 119.065 118.700 0.049 0.000 2.135 122 N HA -0.076 4.665 4.740 0.002 0.000 0.186 122 N C 0.582 175.898 175.510 -0.323 0.000 1.027 122 N CA 0.760 53.824 53.050 0.023 0.000 0.849 122 N CB -0.641 37.975 38.487 0.215 0.000 1.002 122 N HN 0.321 nan 8.380 nan 0.000 0.425 123 L N 1.540 122.585 121.223 -0.298 0.000 2.476 123 L HA 0.132 4.473 4.340 0.002 0.000 0.264 123 L C -0.713 175.982 176.870 -0.292 0.000 1.224 123 L CA 0.091 54.717 54.840 -0.357 0.000 0.821 123 L CB -0.410 41.468 42.059 -0.302 0.000 1.101 123 L HN 0.664 nan 8.230 nan 0.000 0.488 124 N N 1.521 120.147 118.700 -0.122 0.000 2.650 124 N HA -0.259 4.482 4.740 0.002 0.000 0.300 124 N C -0.745 174.639 175.510 -0.210 0.000 1.197 124 N CA 1.268 54.207 53.050 -0.185 0.000 0.746 124 N CB -1.239 37.070 38.487 -0.298 0.000 0.976 124 N HN 0.747 nan 8.380 nan 0.000 0.558 125 Q N -1.339 118.342 119.800 -0.199 0.000 2.139 125 Q HA 0.232 4.573 4.340 0.002 0.000 0.301 125 Q C -0.193 175.593 176.000 -0.357 0.000 0.874 125 Q CA -0.585 55.058 55.803 -0.267 0.000 1.116 125 Q CB 0.108 28.674 28.738 -0.286 0.000 1.278 125 Q HN 0.385 nan 8.270 nan 0.000 0.426 126 T N 0.640 115.069 114.554 -0.209 0.000 2.849 126 T HA -0.192 4.159 4.350 0.002 0.000 0.270 126 T C 1.969 176.629 174.700 -0.066 0.000 1.066 126 T CA 1.609 63.628 62.100 -0.135 0.000 1.130 126 T CB -0.046 68.760 68.868 -0.103 0.000 0.864 126 T HN 0.577 nan 8.240 nan 0.000 0.481 127 A N 2.201 124.975 122.820 -0.076 0.000 1.948 127 A HA -0.235 4.086 4.320 0.002 0.000 0.220 127 A C 2.069 179.796 177.584 0.238 0.000 1.177 127 A CA 2.049 54.142 52.037 0.093 0.000 0.636 127 A CB -0.713 18.347 19.000 0.101 0.000 0.815 127 A HN 0.894 nan 8.150 nan 0.000 0.449 128 H N -3.816 115.381 119.070 0.211 0.000 2.615 128 H HA 0.192 4.749 4.556 0.001 0.000 0.275 128 H C 2.140 177.680 175.328 0.354 0.000 0.981 128 H CA 0.817 57.013 56.048 0.247 0.000 1.252 128 H CB -0.706 29.162 29.762 0.177 0.000 1.447 128 H HN 0.311 nan 8.280 nan 0.000 0.498 129 G N 1.336 110.244 108.800 0.181 0.000 2.440 129 G HA2 -0.259 3.702 3.960 0.002 0.000 0.218 129 G HA3 -0.259 3.702 3.960 0.002 0.000 0.218 129 G C 1.866 176.865 174.900 0.164 0.000 1.154 129 G CA 0.905 46.149 45.100 0.240 0.000 0.767 129 G HN 0.554 nan 8.290 nan 0.000 0.552 130 G N 0.206 109.140 108.800 0.222 0.000 2.448 130 G HA2 -0.131 3.830 3.960 0.002 0.000 0.219 130 G HA3 -0.131 3.830 3.960 0.002 0.000 0.219 130 G C 1.941 176.931 174.900 0.150 0.000 1.127 130 G CA 0.663 45.910 45.100 0.246 0.000 0.766 130 G HN 0.465 nan 8.290 nan 0.000 0.552 131 R N -0.226 120.388 120.500 0.190 0.000 2.100 131 R HA 0.092 4.433 4.340 0.002 0.000 0.220 131 R C 2.278 178.693 176.300 0.191 0.000 1.091 131 R CA 0.585 56.776 56.100 0.151 0.000 0.986 131 R CB -0.202 30.205 30.300 0.179 0.000 0.888 131 R HN 0.230 nan 8.270 nan 0.000 0.444 132 E N 0.505 120.841 120.200 0.227 0.000 2.110 132 E HA -0.177 4.174 4.350 0.002 0.000 0.193 132 E C 1.549 178.243 176.600 0.156 0.000 0.988 132 E CA 1.053 57.563 56.400 0.184 0.000 0.804 132 E CB -0.013 29.736 29.700 0.082 0.000 0.745 132 E HN 0.198 nan 8.360 nan 0.000 0.458 133 F N 0.596 120.511 119.950 -0.057 0.000 2.206 133 F HA 0.000 4.528 4.527 0.002 0.000 0.298 133 F C 2.110 177.883 175.800 -0.044 0.000 1.090 133 F CA 1.476 59.389 58.000 -0.144 0.000 1.323 133 F CB -0.373 38.444 39.000 -0.304 0.000 1.028 133 F HN 0.007 nan 8.300 nan 0.000 0.492 134 G N 0.238 109.121 108.800 0.138 0.000 2.476 134 G HA2 -0.381 3.580 3.960 0.002 0.000 0.218 134 G HA3 -0.381 3.580 3.960 0.002 0.000 0.218 134 G C 1.659 176.548 174.900 -0.018 0.000 1.164 134 G CA 1.012 46.143 45.100 0.052 0.000 0.768 134 G HN 0.448 nan 8.290 nan 0.000 0.560 135 F N 1.216 121.126 119.950 -0.067 0.000 2.063 135 F HA -0.157 4.371 4.527 0.002 0.000 0.298 135 F C 2.277 178.000 175.800 -0.128 0.000 1.109 135 F CA 1.767 59.724 58.000 -0.071 0.000 1.212 135 F CB -0.429 38.553 39.000 -0.030 0.000 0.973 135 F HN 0.134 nan 8.300 nan 0.000 0.480 136 I N 0.904 121.301 120.570 -0.289 0.000 2.315 136 I HA -0.066 4.105 4.170 0.002 0.000 0.248 136 I C 2.578 178.402 176.117 -0.489 0.000 1.117 136 I CA 1.711 62.760 61.300 -0.419 0.000 1.404 136 I CB -1.367 36.503 38.000 -0.216 0.000 1.071 136 I HN 0.243 nan 8.210 nan 0.000 0.419 137 G N -0.138 108.358 108.800 -0.506 0.000 2.446 137 G HA2 -0.275 3.686 3.960 0.002 0.000 0.217 137 G HA3 -0.275 3.686 3.960 0.002 0.000 0.217 137 G C 1.737 176.332 174.900 -0.508 0.000 1.168 137 G CA 0.839 45.554 45.100 -0.641 0.000 0.771 137 G HN 0.569 nan 8.290 nan 0.000 0.551 138 A N 0.543 123.122 122.820 -0.402 0.000 1.929 138 A HA 0.070 4.391 4.320 0.002 0.000 0.216 138 A C 2.327 179.686 177.584 -0.375 0.000 1.176 138 A CA 2.021 53.866 52.037 -0.320 0.000 0.628 138 A CB -0.355 18.507 19.000 -0.230 0.000 0.816 138 A HN 0.320 nan 8.150 nan 0.000 0.444 139 R N 0.090 120.234 120.500 -0.594 0.000 2.081 139 R HA 0.040 4.381 4.340 0.002 0.000 0.235 139 R C 1.624 177.720 176.300 -0.341 0.000 1.131 139 R CA 1.962 57.711 56.100 -0.585 0.000 0.960 139 R CB -0.599 29.095 30.300 -1.011 0.000 0.856 139 R HN 0.494 nan 8.270 nan 0.000 0.436 140 M N 1.450 120.853 119.600 -0.329 0.000 2.633 140 M HA 0.127 4.608 4.480 0.002 0.000 0.226 140 M C -0.302 175.877 176.300 -0.201 0.000 1.137 140 M CA 0.077 55.242 55.300 -0.225 0.000 1.020 140 M CB 0.299 32.775 32.600 -0.206 0.000 1.675 140 M HN -0.024 nan 8.290 nan 0.000 0.500 141 R N 0.868 121.241 120.500 -0.211 0.000 3.118 141 R HA -0.189 4.152 4.340 0.002 0.000 0.238 141 R C -0.705 175.494 176.300 -0.169 0.000 0.884 141 R CA 0.734 56.736 56.100 -0.163 0.000 0.601 141 R CB -2.600 27.645 30.300 -0.092 0.000 1.009 141 R HN 0.596 nan 8.270 nan 0.000 0.478 142 Q N 0.383 120.013 119.800 -0.283 0.000 2.230 142 Q HA 0.324 4.665 4.340 0.002 0.000 0.248 142 Q C 0.687 176.532 176.000 -0.259 0.000 0.915 142 Q CA 0.101 55.735 55.803 -0.282 0.000 0.900 142 Q CB 1.133 29.616 28.738 -0.423 0.000 1.229 142 Q HN 0.483 nan 8.270 nan 0.000 0.439 143 Q N 2.585 122.351 119.800 -0.058 0.000 2.664 143 Q HA 0.121 4.462 4.340 0.002 0.000 0.223 143 Q C -0.932 175.172 176.000 0.173 0.000 1.298 143 Q CA 0.237 56.062 55.803 0.036 0.000 0.965 143 Q CB -0.698 28.082 28.738 0.069 0.000 1.510 143 Q HN 0.564 nan 8.270 nan 0.000 0.567 144 H N 0.682 119.762 119.070 0.016 0.000 2.562 144 H HA 0.601 5.158 4.556 0.002 0.000 0.314 144 H C 0.297 175.634 175.328 0.016 0.000 1.079 144 H CA -0.425 55.639 56.048 0.026 0.000 1.349 144 H CB 1.721 31.487 29.762 0.008 0.000 1.432 144 H HN 0.829 nan 8.280 nan 0.000 0.479 145 A N 3.268 126.149 122.820 0.102 0.000 2.322 145 A HA 0.499 4.820 4.320 0.002 0.000 0.269 145 A C -0.215 177.335 177.584 -0.058 0.000 1.094 145 A CA -0.566 51.473 52.037 0.002 0.000 0.807 145 A CB 0.467 19.419 19.000 -0.080 0.000 1.047 145 A HN 0.511 nan 8.150 nan 0.000 0.487 146 V N -0.056 119.842 119.914 -0.027 0.000 2.638 146 V HA 0.708 4.829 4.120 0.002 0.000 0.306 146 V C -0.620 175.480 176.094 0.010 0.000 1.052 146 V CA -0.733 61.560 62.300 -0.012 0.000 0.885 146 V CB 1.159 32.986 31.823 0.007 0.000 0.999 146 V HN 0.627 nan 8.190 nan 0.000 0.424 147 V N 2.602 122.545 119.914 0.049 0.000 2.531 147 V HA 0.602 4.723 4.120 0.002 0.000 0.301 147 V C 0.063 176.297 176.094 0.233 0.000 1.034 147 V CA -0.138 62.220 62.300 0.096 0.000 0.865 147 V CB 2.272 34.101 31.823 0.010 0.000 0.995 147 V HN 1.035 nan 8.190 nan 0.000 0.424 148 T N 3.531 118.201 114.554 0.194 0.000 2.779 148 T HA 0.834 5.185 4.350 0.002 0.000 0.280 148 T C 0.203 175.009 174.700 0.177 0.000 0.987 148 T CA -0.045 62.185 62.100 0.217 0.000 0.966 148 T CB 1.436 70.422 68.868 0.197 0.000 0.933 148 T HN 1.266 nan 8.240 nan 0.000 0.442 149 G N 1.303 110.199 108.800 0.159 0.000 2.325 149 G HA2 0.248 4.209 3.960 0.002 0.000 0.297 149 G HA3 0.248 4.209 3.960 0.002 0.000 0.297 149 G C -1.539 173.394 174.900 0.055 0.000 1.448 149 G CA -0.979 44.187 45.100 0.111 0.000 0.838 149 G HN 0.805 nan 8.290 nan 0.000 0.579 150 H N 0.651 119.674 119.070 -0.079 0.000 2.690 150 H HA 0.102 4.659 4.556 0.002 0.000 0.365 150 H C 1.475 176.740 175.328 -0.104 0.000 1.142 150 H CA 0.469 56.414 56.048 -0.171 0.000 1.417 150 H CB 0.659 30.268 29.762 -0.254 0.000 1.446 150 H HN 0.736 nan 8.280 nan 0.000 0.599 151 W N 4.006 124.806 121.300 -0.834 0.000 2.465 151 W HA -0.079 4.581 4.660 0.001 0.000 0.268 151 W C 0.540 177.038 176.519 -0.035 0.000 1.242 151 W CA 0.219 57.372 57.345 -0.319 0.000 1.248 151 W CB -0.276 28.878 29.460 -0.510 0.000 1.118 151 W HN 0.613 nan 8.180 nan 0.000 0.587 152 Q N 0.648 119.924 119.800 -0.874 0.000 2.424 152 Q HA -0.046 4.295 4.340 0.002 0.000 0.204 152 Q C 0.365 176.135 176.000 -0.383 0.000 0.933 152 Q CA 0.166 55.662 55.803 -0.512 0.000 0.929 152 Q CB -0.105 28.199 28.738 -0.723 0.000 1.037 152 Q HN -0.003 nan 8.270 nan 0.000 0.511 153 D N 1.365 121.552 120.400 -0.355 0.000 2.412 153 D HA -0.055 4.585 4.640 0.002 0.000 0.257 153 D C 0.411 176.329 176.300 -0.636 0.000 1.217 153 D CA 0.510 54.310 54.000 -0.333 0.000 0.897 153 D CB 0.823 41.535 40.800 -0.146 0.000 1.132 153 D HN 0.036 nan 8.370 nan 0.000 0.493 154 K N 2.719 122.843 120.400 -0.461 0.000 2.283 154 K HA -0.151 4.170 4.320 0.002 0.000 0.202 154 K C 1.757 178.239 176.600 -0.197 0.000 1.048 154 K CA 0.735 56.800 56.287 -0.370 0.000 0.948 154 K CB 0.243 32.677 32.500 -0.110 0.000 0.742 154 K HN 0.508 nan 8.250 nan 0.000 0.458 155 Q N 0.175 119.884 119.800 -0.152 0.000 2.172 155 Q HA -0.061 4.280 4.340 0.002 0.000 0.200 155 Q C 2.076 178.040 176.000 -0.060 0.000 0.964 155 Q CA 1.166 56.927 55.803 -0.071 0.000 0.855 155 Q CB 0.017 28.729 28.738 -0.044 0.000 0.918 155 Q HN 0.351 nan 8.270 nan 0.000 0.444 156 A N 0.190 122.948 122.820 -0.103 0.000 1.855 156 A HA -0.230 4.091 4.320 0.002 0.000 0.215 156 A C 1.500 179.048 177.584 -0.060 0.000 1.191 156 A CA 1.647 53.644 52.037 -0.067 0.000 0.613 156 A CB -1.019 17.983 19.000 0.003 0.000 0.829 156 A HN 0.488 nan 8.150 nan 0.000 0.442 157 H N -1.160 117.862 119.070 -0.080 0.000 2.325 157 H HA -0.235 4.322 4.556 0.001 0.000 0.293 157 H C 2.239 177.536 175.328 -0.051 0.000 1.106 157 H CA 1.521 57.522 56.048 -0.078 0.000 1.247 157 H CB 0.014 29.757 29.762 -0.032 0.000 1.359 157 H HN 0.593 nan 8.280 nan 0.000 0.488 158 E N 1.219 121.477 120.200 0.097 0.000 2.058 158 E HA -0.169 4.182 4.350 0.002 0.000 0.194 158 E C 2.212 178.844 176.600 0.053 0.000 0.997 158 E CA 1.422 57.857 56.400 0.058 0.000 0.801 158 E CB 0.043 29.763 29.700 0.033 0.000 0.746 158 E HN 0.376 nan 8.360 nan 0.000 0.450 159 R N -0.230 120.291 120.500 0.036 0.000 2.093 159 R HA 0.022 4.363 4.340 0.002 0.000 0.224 159 R C 2.363 178.705 176.300 0.069 0.000 1.101 159 R CA 1.078 57.208 56.100 0.050 0.000 0.979 159 R CB -0.252 30.066 30.300 0.030 0.000 0.877 159 R HN 0.234 nan 8.270 nan 0.000 0.441 160 I N 0.499 121.067 120.570 -0.004 0.000 2.163 160 I HA -0.184 3.987 4.170 0.002 0.000 0.243 160 I C 2.421 178.633 176.117 0.159 0.000 1.085 160 I CA 1.916 63.208 61.300 -0.013 0.000 1.347 160 I CB -1.514 36.375 38.000 -0.184 0.000 1.044 160 I HN 0.297 nan 8.210 nan 0.000 0.408 161 G N -0.342 108.526 108.800 0.113 0.000 2.394 161 G HA2 -0.238 3.723 3.960 0.002 0.000 0.215 161 G HA3 -0.238 3.723 3.960 0.002 0.000 0.215 161 G C 1.826 176.812 174.900 0.143 0.000 1.165 161 G CA 0.967 46.143 45.100 0.127 0.000 0.784 161 G HN 0.414 nan 8.290 nan 0.000 0.535 162 S N -0.562 115.215 115.700 0.129 0.000 2.402 162 S HA -0.194 4.277 4.470 0.002 0.000 0.233 162 S C 1.951 176.653 174.600 0.170 0.000 1.030 162 S CA 1.778 60.053 58.200 0.125 0.000 1.003 162 S CB -0.370 62.896 63.200 0.111 0.000 0.813 162 S HN 0.621 nan 8.310 nan 0.000 0.477 163 W N 1.356 122.680 121.300 0.040 0.000 2.407 163 W HA 0.024 4.685 4.660 0.002 0.000 0.305 163 W C 2.118 178.669 176.519 0.054 0.000 1.196 163 W CA 1.401 58.771 57.345 0.043 0.000 1.311 163 W CB -0.391 29.084 29.460 0.026 0.000 1.135 163 W HN 0.264 nan 8.180 nan 0.000 0.514 164 M N 0.236 119.972 119.600 0.226 0.000 2.149 164 M HA -0.223 4.258 4.480 0.002 0.000 0.261 164 M C 2.236 178.487 176.300 -0.082 0.000 1.064 164 M CA 1.878 57.188 55.300 0.017 0.000 1.102 164 M CB -0.648 32.102 32.600 0.249 0.000 1.369 164 M HN -0.015 nan 8.290 nan 0.000 0.408 165 R N 0.133 120.666 120.500 0.055 0.000 2.080 165 R HA -0.180 4.161 4.340 0.002 0.000 0.236 165 R C 2.368 178.653 176.300 -0.025 0.000 1.137 165 R CA 1.649 57.840 56.100 0.151 0.000 0.943 165 R CB -0.101 30.282 30.300 0.137 0.000 0.846 165 R HN 0.379 nan 8.270 nan 0.000 0.431 166 Q N -0.445 119.276 119.800 -0.132 0.000 2.167 166 Q HA -0.095 4.246 4.340 0.002 0.000 0.202 166 Q C 2.041 177.826 176.000 -0.359 0.000 0.970 166 Q CA 1.464 57.165 55.803 -0.171 0.000 0.855 166 Q CB -0.257 28.387 28.738 -0.157 0.000 0.911 166 Q HN 0.402 nan 8.270 nan 0.000 0.438 167 A N 0.582 123.023 122.820 -0.632 0.000 1.877 167 A HA -0.133 4.188 4.320 0.002 0.000 0.216 167 A C 2.459 179.748 177.584 -0.491 0.000 1.186 167 A CA 1.647 53.282 52.037 -0.670 0.000 0.620 167 A CB -0.694 17.715 19.000 -0.985 0.000 0.822 167 A HN 0.209 nan 8.150 nan 0.000 0.443 168 V N -0.430 119.188 119.914 -0.494 0.000 2.358 168 V HA -0.192 3.929 4.120 0.002 0.000 0.246 168 V C 2.806 178.543 176.094 -0.594 0.000 1.047 168 V CA 2.205 64.076 62.300 -0.714 0.000 1.035 168 V CB -0.690 30.610 31.823 -0.872 0.000 0.658 168 V HN 0.683 nan 8.190 nan 0.000 0.452 169 S N -0.486 115.010 115.700 -0.341 0.000 2.383 169 S HA -0.302 4.169 4.470 0.002 0.000 0.229 169 S C 2.155 176.713 174.600 -0.070 0.000 1.030 169 S CA 2.175 60.292 58.200 -0.140 0.000 1.002 169 S CB -0.308 62.914 63.200 0.038 0.000 0.829 169 S HN 0.597 nan 8.310 nan 0.000 0.467 170 K N -0.182 120.136 120.400 -0.136 0.000 2.097 170 K HA -0.082 4.239 4.320 0.002 0.000 0.205 170 K C 2.302 178.849 176.600 -0.087 0.000 1.050 170 K CA 1.282 57.514 56.287 -0.092 0.000 0.938 170 K CB -0.127 32.222 32.500 -0.252 0.000 0.718 170 K HN 0.359 nan 8.250 nan 0.000 0.442 171 Q N 0.625 120.301 119.800 -0.206 0.000 2.083 171 Q HA -0.151 4.190 4.340 0.002 0.000 0.198 171 Q C 1.653 177.669 176.000 0.027 0.000 0.969 171 Q CA 1.530 57.261 55.803 -0.121 0.000 0.838 171 Q CB -0.338 28.267 28.738 -0.223 0.000 0.900 171 Q HN 0.435 nan 8.270 nan 0.000 0.436 172 D N 0.035 120.382 120.400 -0.089 0.000 2.123 172 D HA -0.131 4.510 4.640 0.002 0.000 0.196 172 D C 1.482 177.811 176.300 0.049 0.000 0.992 172 D CA 1.827 55.843 54.000 0.028 0.000 0.833 172 D CB 0.228 40.968 40.800 -0.100 0.000 0.954 172 D HN 0.172 nan 8.370 nan 0.000 0.455 173 T N -0.102 114.481 114.554 0.049 0.000 2.849 173 T HA -0.108 4.243 4.350 0.002 0.000 0.270 173 T C 1.805 176.580 174.700 0.125 0.000 1.066 173 T CA 0.629 62.805 62.100 0.126 0.000 1.130 173 T CB -0.148 68.862 68.868 0.236 0.000 0.864 173 T HN 0.183 nan 8.240 nan 0.000 0.481 174 R N 0.394 120.896 120.500 0.004 0.000 2.285 174 R HA -0.016 4.325 4.340 0.002 0.000 0.213 174 R C 0.926 177.015 176.300 -0.353 0.000 1.068 174 R CA 0.978 56.972 56.100 -0.178 0.000 1.004 174 R CB -0.201 29.908 30.300 -0.318 0.000 0.873 174 R HN 0.618 nan 8.270 nan 0.000 0.467 175 H N -1.154 117.950 119.070 0.056 0.000 2.893 175 H HA 0.213 4.770 4.556 0.002 0.000 0.270 175 H C -0.025 175.323 175.328 0.033 0.000 1.095 175 H CA -0.361 55.715 56.048 0.048 0.000 1.186 175 H CB 0.635 30.409 29.762 0.019 0.000 1.562 175 H HN -0.064 nan 8.280 nan 0.000 0.536 176 L N 2.474 123.761 121.223 0.107 0.000 2.369 176 L HA 0.194 4.535 4.340 0.002 0.000 0.279 176 L C -0.553 176.532 176.870 0.359 0.000 1.108 176 L CA -0.209 54.693 54.840 0.103 0.000 0.852 176 L CB 0.202 42.295 42.059 0.057 0.000 1.169 176 L HN 0.095 nan 8.230 nan 0.000 0.452 177 K N 4.329 125.076 120.400 0.578 0.000 2.159 177 K HA 0.523 4.844 4.320 0.002 0.000 0.266 177 K C -1.104 175.799 176.600 0.506 0.000 0.975 177 K CA -0.756 55.829 56.287 0.498 0.000 0.865 177 K CB 2.344 35.100 32.500 0.426 0.000 1.087 177 K HN 0.343 nan 8.250 nan 0.000 0.446 178 V N 2.339 122.495 119.914 0.403 0.000 2.435 178 V HA 0.224 4.345 4.120 0.002 0.000 0.290 178 V C -0.478 175.691 176.094 0.125 0.000 1.030 178 V CA -0.966 61.492 62.300 0.263 0.000 0.881 178 V CB 1.504 33.451 31.823 0.208 0.000 0.983 178 V HN 0.924 nan 8.190 nan 0.000 0.445 179 C N 7.194 126.372 119.300 -0.203 0.000 2.281 179 C HA 0.589 5.050 4.460 0.002 0.000 0.325 179 C C 0.235 174.966 174.990 -0.431 0.000 1.282 179 C CA -0.737 57.919 59.018 -0.604 0.000 1.640 179 C CB -0.195 26.587 27.740 -1.597 0.000 2.288 179 C HN 0.939 nan 8.230 nan 0.000 0.507 180 R N 4.497 124.849 120.500 -0.248 0.000 2.294 180 R HA 0.381 4.722 4.340 0.002 0.000 0.319 180 R C -1.308 174.849 176.300 -0.238 0.000 0.984 180 R CA -0.272 55.723 56.100 -0.175 0.000 0.861 180 R CB 1.008 31.302 30.300 -0.009 0.000 1.104 180 R HN 0.670 nan 8.270 nan 0.000 0.451 181 F N 2.215 122.223 119.950 0.098 0.000 2.425 181 F HA 0.320 4.848 4.527 0.002 0.000 0.354 181 F C 1.247 177.083 175.800 0.060 0.000 1.162 181 F CA -0.004 58.033 58.000 0.062 0.000 1.250 181 F CB 0.599 39.608 39.000 0.016 0.000 1.579 181 F HN 0.862 nan 8.300 nan 0.000 0.589 182 G N 1.240 110.146 108.800 0.175 0.000 2.655 182 G HA2 -0.137 3.824 3.960 0.002 0.000 0.680 182 G HA3 -0.137 3.824 3.960 0.002 0.000 0.680 182 G C -1.252 173.695 174.900 0.078 0.000 1.302 182 G CA -1.029 44.140 45.100 0.115 0.000 0.872 182 G HN 0.379 nan 8.290 nan 0.000 0.540 183 D N -0.416 120.017 120.400 0.055 0.000 2.529 183 D HA 0.462 5.103 4.640 0.002 0.000 0.273 183 D C 1.028 177.355 176.300 0.045 0.000 1.197 183 D CA -0.528 53.502 54.000 0.050 0.000 1.070 183 D CB 0.651 41.473 40.800 0.036 0.000 1.134 183 D HN 0.472 nan 8.370 nan 0.000 0.590 184 N N 0.011 118.750 118.700 0.065 0.000 2.329 184 N HA -0.012 4.729 4.740 0.002 0.000 0.237 184 N C 0.226 175.730 175.510 -0.009 0.000 1.258 184 N CA 0.318 53.400 53.050 0.054 0.000 0.866 184 N CB 0.277 38.814 38.487 0.084 0.000 1.102 184 N HN 0.354 nan 8.380 nan 0.000 0.440 185 M N 1.682 121.259 119.600 -0.037 0.000 2.260 185 M HA -0.025 4.456 4.480 0.002 0.000 0.348 185 M C 0.062 176.339 176.300 -0.039 0.000 1.342 185 M CA 0.214 55.450 55.300 -0.107 0.000 1.040 185 M CB 0.403 32.952 32.600 -0.086 0.000 1.810 185 M HN 0.377 nan 8.290 nan 0.000 0.453 186 R N 3.708 124.181 120.500 -0.045 0.000 2.640 186 R HA -0.041 4.300 4.340 0.002 0.000 0.270 186 R C 0.393 176.698 176.300 0.008 0.000 1.024 186 R CA 0.139 56.235 56.100 -0.007 0.000 1.085 186 R CB 0.224 30.523 30.300 -0.003 0.000 0.963 186 R HN 0.775 nan 8.270 nan 0.000 0.426 187 E N -1.528 118.682 120.200 0.016 0.000 3.801 187 E HA -0.181 4.170 4.350 0.002 0.000 0.319 187 E C -0.694 175.918 176.600 0.021 0.000 0.784 187 E CA 0.879 57.290 56.400 0.018 0.000 1.183 187 E CB -1.360 28.349 29.700 0.016 0.000 1.601 187 E HN 0.308 nan 8.360 nan 0.000 0.441 188 V N 0.407 120.337 119.914 0.027 0.000 2.481 188 V HA 0.507 4.628 4.120 0.002 0.000 0.286 188 V C 1.281 177.401 176.094 0.043 0.000 1.042 188 V CA 0.658 62.979 62.300 0.036 0.000 0.928 188 V CB 1.615 33.468 31.823 0.049 0.000 0.986 188 V HN 0.291 nan 8.190 nan 0.000 0.462 189 A N 4.121 126.967 122.820 0.043 0.000 1.909 189 A HA 0.058 4.379 4.320 0.002 0.000 0.209 189 A C 1.973 179.575 177.584 0.030 0.000 1.247 189 A CA 1.213 53.273 52.037 0.037 0.000 0.660 189 A CB -0.498 18.519 19.000 0.029 0.000 0.910 189 A HN 0.895 nan 8.150 nan 0.000 0.465 190 V N -0.255 119.680 119.914 0.035 0.000 2.392 190 V HA -0.233 3.888 4.120 0.002 0.000 0.249 190 V C 2.530 178.589 176.094 -0.059 0.000 1.059 190 V CA 2.539 64.838 62.300 -0.002 0.000 1.051 190 V CB -2.431 29.401 31.823 0.014 0.000 0.658 190 V HN 0.675 nan 8.190 nan 0.000 0.455 191 T N -2.946 111.586 114.554 -0.036 0.000 3.007 191 T HA -0.078 4.273 4.350 0.002 0.000 0.270 191 T C 0.805 175.457 174.700 -0.080 0.000 1.107 191 T CA 0.953 62.998 62.100 -0.092 0.000 1.118 191 T CB -0.482 68.385 68.868 -0.000 0.000 0.889 191 T HN 0.544 nan 8.240 nan 0.000 0.506 192 D N 0.766 121.182 120.400 0.027 0.000 2.383 192 D HA 0.630 5.271 4.640 0.002 0.000 0.248 192 D C 0.511 176.916 176.300 0.176 0.000 1.170 192 D CA 0.751 54.841 54.000 0.149 0.000 0.977 192 D CB 1.291 42.161 40.800 0.117 0.000 1.120 192 D HN 0.529 nan 8.370 nan 0.000 0.481 193 G N 0.443 109.452 108.800 0.348 0.000 2.343 193 G HA2 0.082 4.043 3.960 0.002 0.000 0.289 193 G HA3 0.082 4.043 3.960 0.002 0.000 0.289 193 G C -1.599 173.574 174.900 0.455 0.000 1.295 193 G CA -0.723 44.598 45.100 0.369 0.000 0.869 193 G HN 0.439 nan 8.290 nan 0.000 0.522 194 D N 0.298 120.919 120.400 0.370 0.000 2.428 194 D HA 0.326 4.967 4.640 0.002 0.000 0.221 194 D C 1.244 177.636 176.300 0.153 0.000 1.123 194 D CA -0.305 53.813 54.000 0.197 0.000 0.869 194 D CB 1.282 42.160 40.800 0.130 0.000 1.032 194 D HN 0.430 nan 8.370 nan 0.000 0.506 195 K N 1.648 121.965 120.400 -0.138 0.000 2.211 195 K HA -0.053 4.268 4.320 0.002 0.000 0.203 195 K C 1.903 178.379 176.600 -0.207 0.000 1.050 195 K CA 0.532 56.550 56.287 -0.449 0.000 0.945 195 K CB 0.402 32.534 32.500 -0.613 0.000 0.732 195 K HN 0.235 nan 8.250 nan 0.000 0.451 196 V N 1.420 121.274 119.914 -0.100 0.000 2.295 196 V HA -0.273 3.848 4.120 0.002 0.000 0.246 196 V C 2.355 178.436 176.094 -0.022 0.000 1.049 196 V CA 2.104 64.367 62.300 -0.061 0.000 1.024 196 V CB -0.671 31.131 31.823 -0.037 0.000 0.648 196 V HN 0.362 nan 8.190 nan 0.000 0.447 197 A N 0.066 122.919 122.820 0.054 0.000 1.883 197 A HA -0.182 4.139 4.320 0.002 0.000 0.217 197 A C 2.443 180.116 177.584 0.149 0.000 1.186 197 A CA 2.362 54.477 52.037 0.131 0.000 0.624 197 A CB -0.936 18.197 19.000 0.222 0.000 0.822 197 A HN 0.590 nan 8.150 nan 0.000 0.444 198 A N -0.969 121.974 122.820 0.205 0.000 1.908 198 A HA -0.252 4.068 4.320 0.002 0.000 0.218 198 A C 2.215 179.632 177.584 -0.278 0.000 1.181 198 A CA 2.005 54.070 52.037 0.046 0.000 0.627 198 A CB -0.626 18.441 19.000 0.112 0.000 0.818 198 A HN 0.677 nan 8.150 nan 0.000 0.445 199 Q N -0.512 119.126 119.800 -0.269 0.000 2.079 199 Q HA -0.119 4.222 4.340 0.002 0.000 0.200 199 Q C 1.949 177.852 176.000 -0.162 0.000 0.974 199 Q CA 1.627 57.281 55.803 -0.248 0.000 0.840 199 Q CB -0.262 28.382 28.738 -0.156 0.000 0.898 199 Q HN 0.702 nan 8.270 nan 0.000 0.430 200 I N 0.485 120.984 120.570 -0.118 0.000 2.163 200 I HA -0.311 3.860 4.170 0.002 0.000 0.243 200 I C 2.420 178.444 176.117 -0.155 0.000 1.085 200 I CA 1.436 62.675 61.300 -0.102 0.000 1.347 200 I CB -0.191 37.771 38.000 -0.063 0.000 1.044 200 I HN 0.150 nan 8.210 nan 0.000 0.408 201 K N 0.802 121.059 120.400 -0.238 0.000 2.007 201 K HA -0.085 4.236 4.320 0.002 0.000 0.206 201 K C 1.627 177.875 176.600 -0.587 0.000 1.047 201 K CA 1.921 57.920 56.287 -0.480 0.000 0.937 201 K CB -0.189 31.859 32.500 -0.754 0.000 0.718 201 K HN 0.177 nan 8.250 nan 0.000 0.438 202 F N -1.733 118.073 119.950 -0.239 0.000 2.694 202 F HA 0.325 4.853 4.527 0.002 0.000 0.292 202 F C 1.521 177.270 175.800 -0.085 0.000 1.121 202 F CA 0.373 58.276 58.000 -0.163 0.000 1.352 202 F CB 0.861 39.737 39.000 -0.207 0.000 1.107 202 F HN 0.283 nan 8.300 nan 0.000 0.597 203 G N 0.736 109.518 108.800 -0.030 0.000 2.195 203 G HA2 -0.292 3.669 3.960 0.002 0.000 0.246 203 G HA3 -0.292 3.669 3.960 0.002 0.000 0.246 203 G C 0.331 175.252 174.900 0.036 0.000 0.984 203 G CA 0.051 45.139 45.100 -0.021 0.000 0.633 203 G HN 0.363 nan 8.290 nan 0.000 0.525 204 F N 2.114 122.126 119.950 0.103 0.000 2.371 204 F HA 0.792 5.320 4.527 0.002 0.000 0.329 204 F C 0.441 176.294 175.800 0.089 0.000 1.107 204 F CA -0.601 57.456 58.000 0.096 0.000 1.137 204 F CB 1.176 40.236 39.000 0.100 0.000 1.214 204 F HN 0.376 nan 8.300 nan 0.000 0.536 205 S N 1.211 117.129 115.700 0.364 0.000 2.532 205 S HA 0.833 5.304 4.470 0.002 0.000 0.301 205 S C -1.180 173.581 174.600 0.268 0.000 1.083 205 S CA -0.795 57.532 58.200 0.211 0.000 1.025 205 S CB 1.714 65.018 63.200 0.173 0.000 1.056 205 S HN 0.744 nan 8.310 nan 0.000 0.494 206 V N 2.424 122.394 119.914 0.092 0.000 2.524 206 V HA 0.555 4.676 4.120 0.002 0.000 0.297 206 V C -1.040 175.033 176.094 -0.036 0.000 1.035 206 V CA -0.623 61.688 62.300 0.018 0.000 0.867 206 V CB 0.986 32.651 31.823 -0.263 0.000 1.004 206 V HN 0.998 nan 8.190 nan 0.000 0.426 207 N N 1.479 120.226 118.700 0.079 0.000 2.357 207 N HA 0.716 5.457 4.740 0.002 0.000 0.284 207 N C -0.958 174.585 175.510 0.056 0.000 1.236 207 N CA -0.732 52.330 53.050 0.021 0.000 0.774 207 N CB 2.195 40.699 38.487 0.027 0.000 1.534 207 N HN 0.547 nan 8.380 nan 0.000 0.478 208 T N 0.437 114.937 114.554 -0.090 0.000 2.771 208 T HA 0.338 4.689 4.350 0.002 0.000 0.281 208 T C -0.967 173.673 174.700 -0.101 0.000 0.982 208 T CA -0.379 61.701 62.100 -0.034 0.000 0.978 208 T CB 0.489 69.326 68.868 -0.050 0.000 0.930 208 T HN 0.161 nan 8.240 nan 0.000 0.447 209 W N 1.880 123.140 121.300 -0.067 0.000 2.496 209 W HA 0.593 5.254 4.660 0.002 0.000 0.327 209 W C 0.443 177.015 176.519 0.089 0.000 1.086 209 W CA -1.276 56.105 57.345 0.060 0.000 1.222 209 W CB 1.191 30.771 29.460 0.200 0.000 1.304 209 W HN 0.669 nan 8.180 nan 0.000 0.547 210 A N 2.370 125.343 122.820 0.255 0.000 2.511 210 A HA 0.174 4.495 4.320 0.002 0.000 0.242 210 A C 0.949 178.662 177.584 0.215 0.000 1.069 210 A CA -0.216 51.932 52.037 0.185 0.000 0.763 210 A CB 0.655 19.727 19.000 0.119 0.000 1.001 210 A HN 0.587 nan 8.150 nan 0.000 0.498 211 V N 3.935 123.952 119.914 0.172 0.000 2.370 211 V HA -0.330 3.791 4.120 0.002 0.000 0.252 211 V C 2.777 178.885 176.094 0.023 0.000 1.068 211 V CA 2.674 65.025 62.300 0.085 0.000 1.061 211 V CB -1.611 30.261 31.823 0.082 0.000 0.656 211 V HN 1.102 nan 8.190 nan 0.000 0.455 212 G N 0.015 108.853 108.800 0.064 0.000 2.513 212 G HA2 -0.326 3.635 3.960 0.002 0.000 0.219 212 G HA3 -0.326 3.635 3.960 0.002 0.000 0.219 212 G C 1.187 176.122 174.900 0.058 0.000 1.160 212 G CA 1.296 46.428 45.100 0.053 0.000 0.767 212 G HN 0.542 nan 8.290 nan 0.000 0.571 213 D N 0.092 120.564 120.400 0.119 0.000 2.104 213 D HA -0.112 4.529 4.640 0.002 0.000 0.194 213 D C 2.367 178.675 176.300 0.013 0.000 0.994 213 D CA 0.866 54.978 54.000 0.187 0.000 0.830 213 D CB -0.511 40.554 40.800 0.441 0.000 0.959 213 D HN 0.281 nan 8.370 nan 0.000 0.452 214 L N 0.744 121.819 121.223 -0.247 0.000 1.994 214 L HA -0.138 4.203 4.340 0.002 0.000 0.208 214 L C 2.256 178.972 176.870 -0.258 0.000 1.071 214 L CA 1.352 55.875 54.840 -0.529 0.000 0.745 214 L CB -0.683 40.873 42.059 -0.839 0.000 0.892 214 L HN -0.113 nan 8.230 nan 0.000 0.431 215 V N -0.131 119.682 119.914 -0.169 0.000 2.370 215 V HA -0.415 3.706 4.120 0.002 0.000 0.252 215 V C 2.687 178.755 176.094 -0.044 0.000 1.068 215 V CA 2.254 64.499 62.300 -0.091 0.000 1.061 215 V CB -0.728 31.071 31.823 -0.039 0.000 0.656 215 V HN 0.683 nan 8.190 nan 0.000 0.455 216 Q N -0.713 119.081 119.800 -0.010 0.000 2.050 216 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 216 Q C 2.171 178.187 176.000 0.028 0.000 0.980 216 Q CA 1.994 57.813 55.803 0.026 0.000 0.840 216 Q CB -0.038 28.740 28.738 0.066 0.000 0.898 216 Q HN 0.547 nan 8.270 nan 0.000 0.424 217 V N -0.215 119.720 119.914 0.035 0.000 2.667 217 V HA -0.166 3.955 4.120 0.002 0.000 0.252 217 V C 2.099 178.191 176.094 -0.004 0.000 1.065 217 V CA 0.975 63.304 62.300 0.049 0.000 1.083 217 V CB 0.021 31.926 31.823 0.136 0.000 0.692 217 V HN 0.235 nan 8.190 nan 0.000 0.468 218 V N 0.715 120.600 119.914 -0.049 0.000 2.358 218 V HA -0.187 3.934 4.120 0.002 0.000 0.246 218 V C 2.248 178.323 176.094 -0.032 0.000 1.047 218 V CA 1.955 64.218 62.300 -0.061 0.000 1.035 218 V CB -0.755 31.010 31.823 -0.097 0.000 0.658 218 V HN 0.561 nan 8.190 nan 0.000 0.452 219 N N 0.844 119.532 118.700 -0.021 0.000 2.331 219 N HA -0.102 4.639 4.740 0.002 0.000 0.180 219 N C 1.976 177.485 175.510 -0.002 0.000 1.019 219 N CA 1.574 54.619 53.050 -0.009 0.000 0.881 219 N CB -0.364 38.121 38.487 -0.003 0.000 0.972 219 N HN 0.637 nan 8.380 nan 0.000 0.435 220 S N -0.045 115.657 115.700 0.004 0.000 2.522 220 S HA 0.086 4.557 4.470 0.002 0.000 0.227 220 S C 0.825 175.427 174.600 0.003 0.000 0.986 220 S CA -0.137 58.068 58.200 0.008 0.000 0.929 220 S CB -0.125 63.086 63.200 0.018 0.000 0.769 220 S HN 0.030 nan 8.310 nan 0.000 0.529 221 I N 4.285 124.854 120.570 -0.002 0.000 2.598 221 I HA 0.092 4.263 4.170 0.002 0.000 0.284 221 I C 1.050 177.163 176.117 -0.007 0.000 1.140 221 I CA -0.031 61.265 61.300 -0.006 0.000 1.420 221 I CB -0.292 37.700 38.000 -0.013 0.000 1.387 221 I HN 0.371 nan 8.210 nan 0.000 0.553 222 S N 4.540 120.235 115.700 -0.007 0.000 2.592 222 S HA 0.134 4.605 4.470 0.002 0.000 0.271 222 S C 0.843 175.437 174.600 -0.011 0.000 1.326 222 S CA -0.656 57.539 58.200 -0.008 0.000 1.024 222 S CB 1.401 64.597 63.200 -0.007 0.000 0.921 222 S HN 0.538 nan 8.310 nan 0.000 0.527 223 D N 2.879 123.273 120.400 -0.010 0.000 2.133 223 D HA -0.060 4.581 4.640 0.002 0.000 0.195 223 D C 2.070 178.360 176.300 -0.016 0.000 0.997 223 D CA 1.829 55.822 54.000 -0.011 0.000 0.840 223 D CB -1.017 39.777 40.800 -0.009 0.000 0.947 223 D HN 0.792 nan 8.370 nan 0.000 0.452 224 G N 0.860 109.650 108.800 -0.016 0.000 2.421 224 G HA2 -0.246 3.714 3.960 0.002 0.000 0.216 224 G HA3 -0.246 3.714 3.960 0.002 0.000 0.216 224 G C 1.278 176.161 174.900 -0.028 0.000 1.171 224 G CA 0.804 45.892 45.100 -0.021 0.000 0.775 224 G HN 0.130 nan 8.290 nan 0.000 0.543 225 D N 0.044 120.428 120.400 -0.027 0.000 2.178 225 D HA -0.066 4.574 4.640 0.002 0.000 0.201 225 D C 2.703 178.975 176.300 -0.047 0.000 0.980 225 D CA 0.444 54.423 54.000 -0.035 0.000 0.842 225 D CB -0.241 40.543 40.800 -0.026 0.000 0.948 225 D HN 0.222 nan 8.370 nan 0.000 0.472 226 V N 1.308 121.199 119.914 -0.037 0.000 2.270 226 V HA -0.204 3.917 4.120 0.002 0.000 0.245 226 V C 1.964 178.025 176.094 -0.056 0.000 1.043 226 V CA 1.494 63.770 62.300 -0.039 0.000 1.014 226 V CB -0.434 31.378 31.823 -0.017 0.000 0.645 226 V HN 0.179 nan 8.190 nan 0.000 0.447 227 N N 0.545 119.219 118.700 -0.043 0.000 2.289 227 N HA -0.093 4.648 4.740 0.002 0.000 0.184 227 N C 1.820 177.289 175.510 -0.069 0.000 1.016 227 N CA 1.463 54.486 53.050 -0.045 0.000 0.872 227 N CB -0.453 38.016 38.487 -0.030 0.000 0.973 227 N HN 0.501 nan 8.380 nan 0.000 0.433 228 A N 0.930 123.705 122.820 -0.075 0.000 1.902 228 A HA -0.098 4.223 4.320 0.002 0.000 0.217 228 A C 2.200 179.696 177.584 -0.146 0.000 1.181 228 A CA 0.961 52.945 52.037 -0.088 0.000 0.623 228 A CB -0.622 18.337 19.000 -0.069 0.000 0.818 228 A HN 0.222 nan 8.150 nan 0.000 0.443 229 L N -0.235 120.866 121.223 -0.203 0.000 2.156 229 L HA -0.036 4.305 4.340 0.002 0.000 0.208 229 L C 2.232 178.716 176.870 -0.644 0.000 1.095 229 L CA 1.468 56.073 54.840 -0.391 0.000 0.770 229 L CB -0.233 41.594 42.059 -0.386 0.000 0.914 229 L HN 0.148 nan 8.230 nan 0.000 0.439 230 V N -0.525 119.168 119.914 -0.368 0.000 2.667 230 V HA -0.192 3.929 4.120 0.002 0.000 0.252 230 V C 2.004 178.057 176.094 -0.068 0.000 1.065 230 V CA 1.471 63.672 62.300 -0.165 0.000 1.083 230 V CB -0.770 31.064 31.823 0.018 0.000 0.692 230 V HN 0.423 nan 8.190 nan 0.000 0.468 231 D N -0.030 120.310 120.400 -0.100 0.000 2.178 231 D HA -0.161 4.480 4.640 0.002 0.000 0.202 231 D C 2.105 178.366 176.300 -0.065 0.000 0.974 231 D CA 1.082 55.047 54.000 -0.058 0.000 0.841 231 D CB 0.101 40.867 40.800 -0.058 0.000 0.953 231 D HN 0.533 nan 8.370 nan 0.000 0.478 232 E N -0.616 119.506 120.200 -0.130 0.000 2.230 232 E HA -0.063 4.288 4.350 0.002 0.000 0.192 232 E C 1.752 178.331 176.600 -0.036 0.000 0.987 232 E CA 0.056 56.389 56.400 -0.111 0.000 0.841 232 E CB 0.163 29.783 29.700 -0.133 0.000 0.783 232 E HN 0.435 nan 8.360 nan 0.000 0.481 233 Y N 0.643 120.955 120.300 0.020 0.000 2.145 233 Y HA -0.189 4.361 4.550 0.002 0.000 0.286 233 Y C 2.258 178.202 175.900 0.072 0.000 1.145 233 Y CA 0.752 58.936 58.100 0.140 0.000 1.148 233 Y CB 0.074 38.661 38.460 0.213 0.000 0.981 233 Y HN 0.085 nan 8.280 nan 0.000 0.507 234 E N -0.335 119.980 120.200 0.192 0.000 2.204 234 E HA -0.178 4.172 4.350 0.002 0.000 0.194 234 E C 2.265 178.885 176.600 0.034 0.000 0.989 234 E CA 1.150 57.616 56.400 0.109 0.000 0.824 234 E CB -0.063 29.682 29.700 0.075 0.000 0.756 234 E HN 0.235 nan 8.360 nan 0.000 0.477 235 S N -0.799 114.889 115.700 -0.020 0.000 2.446 235 S HA -0.058 4.413 4.470 0.002 0.000 0.225 235 S C 1.936 176.459 174.600 -0.129 0.000 1.016 235 S CA 0.544 58.708 58.200 -0.059 0.000 0.943 235 S CB -0.020 63.143 63.200 -0.062 0.000 0.786 235 S HN 0.328 nan 8.310 nan 0.000 0.508 236 C N 0.064 119.200 119.300 -0.273 0.000 2.518 236 C HA 0.425 4.886 4.460 0.002 0.000 0.283 236 C C 0.502 175.188 174.990 -0.506 0.000 1.351 236 C CA -0.458 58.231 59.018 -0.549 0.000 1.745 236 C CB -0.887 26.207 27.740 -1.077 0.000 2.107 236 C HN 0.645 nan 8.230 nan 0.000 0.502 237 Y N -0.409 119.929 120.300 0.065 0.000 2.598 237 Y HA 0.385 4.936 4.550 0.002 0.000 0.340 237 Y C 0.444 176.368 175.900 0.040 0.000 1.038 237 Y CA -0.865 57.263 58.100 0.048 0.000 1.100 237 Y CB 0.594 39.078 38.460 0.040 0.000 1.281 237 Y HN -0.241 nan 8.280 nan 0.000 0.488 238 T N 4.219 118.901 114.554 0.213 0.000 2.729 238 T HA 0.269 4.620 4.350 0.002 0.000 0.296 238 T C -0.205 174.560 174.700 0.108 0.000 0.928 238 T CA -0.569 61.604 62.100 0.122 0.000 1.045 238 T CB -0.008 68.914 68.868 0.090 0.000 0.902 238 T HN 0.242 nan 8.240 nan 0.000 0.500 239 M N 3.983 123.637 119.600 0.090 0.000 2.113 239 M HA 0.253 4.734 4.480 0.002 0.000 0.352 239 M C 1.013 177.339 176.300 0.044 0.000 1.170 239 M CA -0.802 54.540 55.300 0.070 0.000 1.053 239 M CB 0.427 33.073 32.600 0.077 0.000 1.601 239 M HN 0.714 nan 8.290 nan 0.000 0.459 240 T N 0.916 115.486 114.554 0.026 0.000 2.802 240 T HA 0.236 4.587 4.350 0.002 0.000 0.305 240 T C -1.881 172.832 174.700 0.022 0.000 1.053 240 T CA -1.127 60.984 62.100 0.018 0.000 1.058 240 T CB 0.296 69.166 68.868 0.004 0.000 0.988 240 T HN 0.377 nan 8.240 nan 0.000 0.539 241 P HA -0.061 nan 4.420 nan 0.000 0.215 241 P C 1.669 178.984 177.300 0.026 0.000 1.157 241 P CA 1.651 64.766 63.100 0.025 0.000 0.874 241 P CB -0.394 31.319 31.700 0.021 0.000 0.790 242 A N -1.264 121.566 122.820 0.017 0.000 2.125 242 A HA -0.143 4.178 4.320 0.002 0.000 0.219 242 A C 2.003 179.595 177.584 0.013 0.000 1.156 242 A CA 2.024 54.069 52.037 0.014 0.000 0.671 242 A CB -1.631 17.373 19.000 0.006 0.000 0.794 242 A HN 0.206 nan 8.150 nan 0.000 0.459 243 T N -0.603 113.959 114.554 0.015 0.000 3.009 243 T HA 0.041 4.392 4.350 0.002 0.000 0.258 243 T C 1.164 175.881 174.700 0.028 0.000 1.063 243 T CA 0.529 62.639 62.100 0.017 0.000 1.139 243 T CB -0.017 68.861 68.868 0.016 0.000 0.890 243 T HN 0.602 nan 8.240 nan 0.000 0.471 244 Q N 0.017 119.836 119.800 0.032 0.000 2.631 244 Q HA 0.279 4.620 4.340 0.002 0.000 0.210 244 Q C 1.533 177.536 176.000 0.006 0.000 1.094 244 Q CA -0.109 55.713 55.803 0.032 0.000 1.055 244 Q CB 0.358 29.123 28.738 0.045 0.000 1.261 244 Q HN 0.207 nan 8.270 nan 0.000 0.615 245 I N 0.326 120.878 120.570 -0.029 0.000 2.091 245 I HA -0.337 3.834 4.170 0.002 0.000 0.239 245 I C 1.528 177.508 176.117 -0.227 0.000 1.061 245 I CA 1.288 62.493 61.300 -0.159 0.000 1.317 245 I CB -0.342 37.495 38.000 -0.272 0.000 1.031 245 I HN 0.641 nan 8.210 nan 0.000 0.401 246 H N 0.614 119.693 119.070 0.015 0.000 2.536 246 H HA 0.180 4.737 4.556 0.002 0.000 0.276 246 H C 1.008 176.341 175.328 0.010 0.000 1.019 246 H CA 0.211 56.266 56.048 0.011 0.000 1.159 246 H CB -0.509 29.259 29.762 0.009 0.000 1.373 246 H HN 0.264 nan 8.280 nan 0.000 0.584 247 G N 0.715 109.560 108.800 0.075 0.000 2.491 247 G HA2 -0.039 3.922 3.960 0.002 0.000 0.242 247 G HA3 -0.039 3.922 3.960 0.002 0.000 0.242 247 G C 0.780 175.700 174.900 0.034 0.000 1.266 247 G CA -0.402 44.728 45.100 0.050 0.000 0.844 247 G HN 0.333 nan 8.290 nan 0.000 0.571 248 E N 0.417 120.634 120.200 0.028 0.000 2.333 248 E HA -0.091 4.260 4.350 0.002 0.000 0.198 248 E C 0.876 177.482 176.600 0.010 0.000 1.007 248 E CA 0.850 57.261 56.400 0.018 0.000 0.845 248 E CB 0.093 29.800 29.700 0.012 0.000 0.766 248 E HN 0.437 nan 8.360 nan 0.000 0.507 249 K N 0.113 120.518 120.400 0.008 0.000 3.084 249 K HA 0.197 4.518 4.320 0.002 0.000 0.210 249 K C 0.931 177.533 176.600 0.004 0.000 1.137 249 K CA -0.279 56.010 56.287 0.003 0.000 1.010 249 K CB 0.757 33.256 32.500 -0.001 0.000 0.806 249 K HN -0.169 nan 8.250 nan 0.000 0.460 250 R N 1.095 121.598 120.500 0.005 0.000 2.075 250 R HA -0.057 4.284 4.340 0.002 0.000 0.232 250 R C 1.778 178.082 176.300 0.007 0.000 1.126 250 R CA 1.469 57.571 56.100 0.003 0.000 0.963 250 R CB 0.189 30.481 30.300 -0.014 0.000 0.858 250 R HN 0.327 nan 8.270 nan 0.000 0.435 251 Q N 0.895 120.697 119.800 0.003 0.000 2.096 251 Q HA -0.106 4.235 4.340 0.002 0.000 0.204 251 Q C 1.555 177.559 176.000 0.008 0.000 0.982 251 Q CA 1.459 57.265 55.803 0.004 0.000 0.850 251 Q CB -0.305 28.435 28.738 0.002 0.000 0.901 251 Q HN 0.449 nan 8.270 nan 0.000 0.422 252 N N -0.452 118.251 118.700 0.004 0.000 2.396 252 N HA -0.093 4.648 4.740 0.002 0.000 0.180 252 N C 1.777 177.289 175.510 0.003 0.000 1.028 252 N CA 0.919 53.969 53.050 0.000 0.000 0.893 252 N CB 0.230 38.713 38.487 -0.006 0.000 0.967 252 N HN 0.075 nan 8.380 nan 0.000 0.440 253 V N 2.071 121.994 119.914 0.014 0.000 2.323 253 V HA -0.132 3.988 4.120 0.002 0.000 0.244 253 V C 2.427 178.575 176.094 0.090 0.000 1.041 253 V CA 1.056 63.378 62.300 0.036 0.000 1.025 253 V CB -0.465 31.389 31.823 0.051 0.000 0.656 253 V HN 0.213 nan 8.190 nan 0.000 0.451 254 L N -0.406 120.858 121.223 0.069 0.000 2.083 254 L HA -0.134 4.207 4.340 0.002 0.000 0.209 254 L C 2.659 179.561 176.870 0.053 0.000 1.083 254 L CA 1.353 56.232 54.840 0.065 0.000 0.752 254 L CB -0.741 41.337 42.059 0.032 0.000 0.899 254 L HN 0.327 nan 8.230 nan 0.000 0.433 255 E N 0.457 120.676 120.200 0.032 0.000 2.152 255 E HA -0.122 4.229 4.350 0.002 0.000 0.192 255 E C 2.300 178.910 176.600 0.017 0.000 0.983 255 E CA 1.206 57.615 56.400 0.015 0.000 0.818 255 E CB -0.028 29.674 29.700 0.003 0.000 0.758 255 E HN 0.462 nan 8.360 nan 0.000 0.467 256 A N 1.533 124.370 122.820 0.029 0.000 1.873 256 A HA -0.039 4.282 4.320 0.002 0.000 0.215 256 A C 2.443 180.080 177.584 0.089 0.000 1.186 256 A CA 1.803 53.855 52.037 0.025 0.000 0.616 256 A CB -0.573 18.416 19.000 -0.017 0.000 0.823 256 A HN 0.254 nan 8.150 nan 0.000 0.442 257 A N 0.796 123.729 122.820 0.187 0.000 1.908 257 A HA -0.228 4.093 4.320 0.002 0.000 0.218 257 A C 2.260 179.891 177.584 0.078 0.000 1.181 257 A CA 2.034 54.208 52.037 0.228 0.000 0.627 257 A CB -0.557 18.561 19.000 0.196 0.000 0.818 257 A HN 0.737 nan 8.150 nan 0.000 0.445 258 R N -0.443 120.080 120.500 0.039 0.000 2.090 258 R HA 0.075 4.416 4.340 0.002 0.000 0.228 258 R C 1.869 178.155 176.300 -0.023 0.000 1.110 258 R CA 1.479 57.579 56.100 0.001 0.000 0.973 258 R CB -0.626 29.672 30.300 -0.005 0.000 0.869 258 R HN 0.420 nan 8.270 nan 0.000 0.440 259 I N 1.718 122.272 120.570 -0.027 0.000 2.163 259 I HA -0.256 3.914 4.170 0.002 0.000 0.243 259 I C 2.760 178.827 176.117 -0.082 0.000 1.085 259 I CA 1.800 63.057 61.300 -0.072 0.000 1.347 259 I CB -0.331 37.626 38.000 -0.073 0.000 1.044 259 I HN 0.415 nan 8.210 nan 0.000 0.408 260 E N 1.093 121.277 120.200 -0.026 0.000 2.058 260 E HA -0.241 4.110 4.350 0.002 0.000 0.194 260 E C 2.347 178.921 176.600 -0.044 0.000 0.997 260 E CA 1.380 57.768 56.400 -0.020 0.000 0.801 260 E CB -0.044 29.705 29.700 0.082 0.000 0.746 260 E HN 0.440 nan 8.360 nan 0.000 0.450 261 L N -0.143 121.066 121.223 -0.025 0.000 2.056 261 L HA -0.078 4.263 4.340 0.002 0.000 0.207 261 L C 2.627 179.473 176.870 -0.040 0.000 1.078 261 L CA 1.080 55.903 54.840 -0.028 0.000 0.749 261 L CB -0.631 41.415 42.059 -0.022 0.000 0.901 261 L HN 0.290 nan 8.230 nan 0.000 0.433 262 G N -0.081 108.685 108.800 -0.056 0.000 2.446 262 G HA2 -0.269 3.692 3.960 0.002 0.000 0.217 262 G HA3 -0.269 3.692 3.960 0.002 0.000 0.217 262 G C 1.624 176.471 174.900 -0.089 0.000 1.168 262 G CA 0.731 45.792 45.100 -0.065 0.000 0.771 262 G HN 0.185 nan 8.290 nan 0.000 0.551 263 M N -0.044 119.448 119.600 -0.180 0.000 2.159 263 M HA -0.021 4.460 4.480 0.002 0.000 0.263 263 M C 2.515 178.700 176.300 -0.192 0.000 1.063 263 M CA 1.308 56.447 55.300 -0.268 0.000 1.110 263 M CB -0.270 32.090 32.600 -0.400 0.000 1.374 263 M HN 0.188 nan 8.290 nan 0.000 0.411 264 K N 0.597 120.911 120.400 -0.142 0.000 2.062 264 K HA -0.119 4.202 4.320 0.002 0.000 0.205 264 K C 2.496 179.082 176.600 -0.023 0.000 1.051 264 K CA 1.414 57.637 56.287 -0.107 0.000 0.941 264 K CB 0.015 32.490 32.500 -0.041 0.000 0.719 264 K HN 0.273 nan 8.250 nan 0.000 0.440 265 R N 0.524 121.027 120.500 0.005 0.000 2.096 265 R HA -0.153 4.188 4.340 0.002 0.000 0.235 265 R C 1.930 178.259 176.300 0.048 0.000 1.127 265 R CA 1.828 57.943 56.100 0.025 0.000 0.968 265 R CB -1.649 28.668 30.300 0.028 0.000 0.861 265 R HN 0.382 nan 8.270 nan 0.000 0.440 266 F N 0.741 120.654 119.950 -0.063 0.000 2.113 266 F HA 0.023 4.551 4.527 0.002 0.000 0.297 266 F C 2.118 177.926 175.800 0.013 0.000 1.103 266 F CA 1.622 59.602 58.000 -0.033 0.000 1.248 266 F CB -0.024 38.958 39.000 -0.031 0.000 0.999 266 F HN 0.116 nan 8.300 nan 0.000 0.475 267 L N -0.231 121.081 121.223 0.148 0.000 2.109 267 L HA -0.161 4.180 4.340 0.002 0.000 0.207 267 L C 2.285 179.202 176.870 0.078 0.000 1.086 267 L CA 1.386 56.316 54.840 0.150 0.000 0.760 267 L CB -0.597 41.382 42.059 -0.133 0.000 0.910 267 L HN 0.114 nan 8.230 nan 0.000 0.437 268 E N -0.303 119.911 120.200 0.024 0.000 2.072 268 E HA -0.229 4.122 4.350 0.002 0.000 0.191 268 E C 2.265 178.801 176.600 -0.107 0.000 0.985 268 E CA 1.059 57.459 56.400 -0.000 0.000 0.801 268 E CB 0.095 29.810 29.700 0.026 0.000 0.750 268 E HN 0.460 nan 8.360 nan 0.000 0.452 269 Q N -0.965 118.745 119.800 -0.150 0.000 2.187 269 Q HA -0.020 4.321 4.340 0.002 0.000 0.199 269 Q C 2.083 177.882 176.000 -0.334 0.000 0.957 269 Q CA 1.052 56.733 55.803 -0.204 0.000 0.857 269 Q CB 0.139 28.767 28.738 -0.182 0.000 0.929 269 Q HN 0.304 nan 8.270 nan 0.000 0.453 270 G N -0.200 108.310 108.800 -0.483 0.000 2.650 270 G HA2 0.086 4.047 3.960 0.002 0.000 0.214 270 G HA3 0.086 4.047 3.960 0.002 0.000 0.214 270 G C 0.921 175.146 174.900 -1.125 0.000 1.136 270 G CA 0.327 44.895 45.100 -0.886 0.000 0.789 270 G HN 0.467 nan 8.290 nan 0.000 0.536 271 G N -0.764 107.651 108.800 -0.642 0.000 2.198 271 G HA2 -0.272 3.689 3.960 0.002 0.000 0.260 271 G HA3 -0.272 3.689 3.960 0.002 0.000 0.260 271 G C 0.098 174.611 174.900 -0.646 0.000 1.025 271 G CA 0.025 44.817 45.100 -0.514 0.000 0.769 271 G HN 0.303 nan 8.290 nan 0.000 0.507 272 F N -1.059 118.733 119.950 -0.262 0.000 2.370 272 F HA 0.636 5.164 4.527 0.002 0.000 0.324 272 F C 1.465 177.158 175.800 -0.179 0.000 1.116 272 F CA -0.133 57.751 58.000 -0.193 0.000 1.123 272 F CB 0.982 39.952 39.000 -0.050 0.000 1.238 272 F HN 0.105 nan 8.300 nan 0.000 0.536 273 H N -0.103 119.249 119.070 0.470 0.000 3.058 273 H HA 0.646 5.203 4.556 0.002 0.000 0.258 273 H C -0.043 175.552 175.328 0.445 0.000 1.015 273 H CA 0.320 56.578 56.048 0.350 0.000 1.210 273 H CB 0.721 30.587 29.762 0.173 0.000 1.481 273 H HN 0.564 nan 8.280 nan 0.000 0.492 274 A N 0.541 123.688 122.820 0.544 0.000 2.602 274 A HA 0.644 4.965 4.320 0.002 0.000 0.290 274 A C -1.752 176.081 177.584 0.416 0.000 1.114 274 A CA -0.713 51.574 52.037 0.416 0.000 0.683 274 A CB 1.433 20.520 19.000 0.146 0.000 1.281 274 A HN 0.207 nan 8.150 nan 0.000 0.416 275 F N -1.732 118.280 119.950 0.103 0.000 2.741 275 F HA 0.838 5.366 4.527 0.002 0.000 0.311 275 F C -0.367 175.430 175.800 -0.004 0.000 1.149 275 F CA -0.147 57.861 58.000 0.013 0.000 0.930 275 F CB 1.139 40.174 39.000 0.059 0.000 1.312 275 F HN 0.962 nan 8.300 nan 0.000 0.450 276 T N -1.326 113.270 114.554 0.069 0.000 2.901 276 T HA 0.888 5.239 4.350 0.002 0.000 0.293 276 T C -0.663 174.208 174.700 0.286 0.000 1.084 276 T CA -0.153 61.881 62.100 -0.111 0.000 1.008 276 T CB 1.737 70.515 68.868 -0.150 0.000 1.170 276 T HN 1.399 nan 8.240 nan 0.000 0.509 277 T N -2.120 112.560 114.554 0.210 0.000 2.865 277 T HA 0.746 5.097 4.350 0.002 0.000 0.294 277 T C -0.826 173.974 174.700 0.167 0.000 1.119 277 T CA -0.794 61.493 62.100 0.311 0.000 1.007 277 T CB 1.812 70.917 68.868 0.395 0.000 1.225 277 T HN 0.910 nan 8.240 nan 0.000 0.515 278 T N 1.101 115.741 114.554 0.144 0.000 2.991 278 T HA 0.441 4.792 4.350 0.002 0.000 0.303 278 T C 0.414 175.138 174.700 0.040 0.000 1.015 278 T CA -0.817 61.300 62.100 0.028 0.000 1.007 278 T CB 0.473 69.312 68.868 -0.048 0.000 1.034 278 T HN 0.643 nan 8.240 nan 0.000 0.446 279 F N 2.979 122.995 119.950 0.110 0.000 2.546 279 F HA 0.295 4.823 4.527 0.002 0.000 0.298 279 F C 1.318 177.144 175.800 0.042 0.000 1.120 279 F CA 0.536 58.580 58.000 0.073 0.000 1.456 279 F CB -0.476 38.571 39.000 0.077 0.000 1.088 279 F HN 0.587 nan 8.300 nan 0.000 0.572 280 E N -0.029 120.033 120.200 -0.229 0.000 2.476 280 E HA -0.026 4.325 4.350 0.002 0.000 0.191 280 E C -0.277 176.320 176.600 -0.005 0.000 1.064 280 E CA 0.316 56.658 56.400 -0.095 0.000 0.866 280 E CB -0.077 29.492 29.700 -0.218 0.000 0.952 280 E HN 0.276 nan 8.360 nan 0.000 0.492 281 D N 0.366 120.776 120.400 0.017 0.000 2.411 281 D HA 0.133 4.774 4.640 0.002 0.000 0.239 281 D C -0.736 175.596 176.300 0.052 0.000 1.307 281 D CA -0.210 53.832 54.000 0.070 0.000 0.930 281 D CB 0.230 41.096 40.800 0.110 0.000 1.395 281 D HN -0.010 nan 8.370 nan 0.000 0.536 282 L N 2.549 123.745 121.223 -0.044 0.000 3.288 282 L HA 0.322 4.663 4.340 0.002 0.000 0.293 282 L C 0.001 176.827 176.870 -0.073 0.000 1.294 282 L CA -0.622 54.197 54.840 -0.035 0.000 1.006 282 L CB 0.083 42.132 42.059 -0.017 0.000 1.407 282 L HN 0.199 nan 8.230 nan 0.000 0.592 283 H N 0.729 119.813 119.070 0.023 0.000 3.046 283 H HA 0.314 4.871 4.556 0.002 0.000 0.303 283 H C 1.272 176.601 175.328 0.001 0.000 1.002 283 H CA 1.528 57.586 56.048 0.016 0.000 1.460 283 H CB 0.696 30.469 29.762 0.019 0.000 1.493 283 H HN 0.406 nan 8.280 nan 0.000 0.559 284 G N 2.700 111.557 108.800 0.095 0.000 2.194 284 G HA2 -0.234 3.727 3.960 0.002 0.000 0.236 284 G HA3 -0.234 3.727 3.960 0.002 0.000 0.236 284 G C -0.033 174.868 174.900 0.002 0.000 0.987 284 G CA -0.292 44.834 45.100 0.045 0.000 0.635 284 G HN 0.524 nan 8.290 nan 0.000 0.520 285 L N 0.019 121.234 121.223 -0.013 0.000 2.309 285 L HA 0.704 5.045 4.340 0.002 0.000 0.282 285 L C 1.786 178.642 176.870 -0.023 0.000 1.036 285 L CA -0.178 54.641 54.840 -0.034 0.000 0.806 285 L CB 1.343 43.371 42.059 -0.051 0.000 1.220 285 L HN 0.173 nan 8.230 nan 0.000 0.429 286 K N 2.969 123.356 120.400 -0.022 0.000 2.155 286 K HA -0.026 4.295 4.320 0.002 0.000 0.203 286 K C 0.629 177.223 176.600 -0.010 0.000 1.052 286 K CA 1.359 57.638 56.287 -0.013 0.000 0.948 286 K CB -0.289 32.205 32.500 -0.011 0.000 0.728 286 K HN 0.806 nan 8.250 nan 0.000 0.448 287 Q N -1.816 117.975 119.800 -0.014 0.000 2.482 287 Q HA 0.586 4.927 4.340 0.002 0.000 0.286 287 Q C -1.170 174.826 176.000 -0.007 0.000 1.007 287 Q CA -1.108 54.691 55.803 -0.008 0.000 0.801 287 Q CB 1.126 29.859 28.738 -0.009 0.000 1.455 287 Q HN 0.120 nan 8.270 nan 0.000 0.398 288 L N 2.171 123.400 121.223 0.010 0.000 2.462 288 L HA 0.334 4.675 4.340 0.002 0.000 0.272 288 L C -2.362 174.516 176.870 0.013 0.000 1.166 288 L CA -1.009 53.852 54.840 0.034 0.000 0.880 288 L CB 0.250 42.350 42.059 0.068 0.000 1.142 288 L HN 0.488 nan 8.230 nan 0.000 0.473 289 P HA 0.132 nan 4.420 nan 0.000 0.261 289 P C -0.081 177.196 177.300 -0.039 0.000 1.203 289 P CA 0.366 63.451 63.100 -0.025 0.000 0.767 289 P CB 0.795 32.481 31.700 -0.022 0.000 0.785 290 G N 2.359 111.121 108.800 -0.063 0.000 2.446 290 G HA2 -0.002 3.959 3.960 0.002 0.000 0.202 290 G HA3 -0.002 3.959 3.960 0.002 0.000 0.202 290 G C 0.921 175.753 174.900 -0.113 0.000 1.842 290 G CA -0.061 44.990 45.100 -0.081 0.000 0.703 290 G HN 0.462 nan 8.290 nan 0.000 0.731 291 L N 1.913 123.058 121.223 -0.129 0.000 2.034 291 L HA -0.112 4.229 4.340 0.002 0.000 0.217 291 L C 2.947 179.759 176.870 -0.096 0.000 1.077 291 L CA 2.982 57.722 54.840 -0.166 0.000 0.769 291 L CB -0.732 41.170 42.059 -0.262 0.000 0.890 291 L HN 0.335 nan 8.230 nan 0.000 0.435 292 A N -1.436 121.346 122.820 -0.063 0.000 1.908 292 A HA -0.159 4.162 4.320 0.002 0.000 0.218 292 A C 2.254 179.827 177.584 -0.018 0.000 1.181 292 A CA 2.146 54.173 52.037 -0.016 0.000 0.627 292 A CB -1.103 17.875 19.000 -0.037 0.000 0.818 292 A HN 0.350 nan 8.150 nan 0.000 0.445 293 V N -0.198 119.664 119.914 -0.087 0.000 2.453 293 V HA -0.273 3.848 4.120 0.002 0.000 0.247 293 V C 2.584 178.597 176.094 -0.136 0.000 1.048 293 V CA 2.078 64.279 62.300 -0.165 0.000 1.049 293 V CB -0.870 30.588 31.823 -0.608 0.000 0.672 293 V HN 0.632 nan 8.190 nan 0.000 0.457 294 Q N -0.263 119.477 119.800 -0.100 0.000 2.084 294 Q HA -0.166 4.175 4.340 0.002 0.000 0.202 294 Q C 2.497 178.534 176.000 0.063 0.000 0.978 294 Q CA 1.481 57.274 55.803 -0.017 0.000 0.844 294 Q CB -0.193 28.541 28.738 -0.007 0.000 0.898 294 Q HN 0.566 nan 8.270 nan 0.000 0.426 295 R N 0.181 120.730 120.500 0.082 0.000 2.115 295 R HA -0.034 4.307 4.340 0.002 0.000 0.226 295 R C 2.251 178.660 176.300 0.182 0.000 1.100 295 R CA 0.742 56.934 56.100 0.153 0.000 0.980 295 R CB -0.156 30.266 30.300 0.204 0.000 0.875 295 R HN 0.231 nan 8.270 nan 0.000 0.445 296 L N 0.120 121.456 121.223 0.189 0.000 2.093 296 L HA -0.123 4.218 4.340 0.002 0.000 0.208 296 L C 2.517 179.624 176.870 0.394 0.000 1.085 296 L CA 1.175 56.205 54.840 0.317 0.000 0.755 296 L CB -0.235 41.981 42.059 0.262 0.000 0.904 296 L HN 0.206 nan 8.230 nan 0.000 0.435 297 M N -0.973 118.773 119.600 0.243 0.000 2.117 297 M HA -0.252 4.229 4.480 0.002 0.000 0.262 297 M C 2.374 178.775 176.300 0.167 0.000 1.065 297 M CA 1.674 57.091 55.300 0.196 0.000 1.114 297 M CB -0.281 32.386 32.600 0.112 0.000 1.361 297 M HN 0.308 nan 8.290 nan 0.000 0.408 298 Q N 0.309 120.197 119.800 0.147 0.000 2.167 298 Q HA -0.201 4.140 4.340 0.002 0.000 0.202 298 Q C 1.645 177.717 176.000 0.120 0.000 0.970 298 Q CA 1.313 57.186 55.803 0.115 0.000 0.855 298 Q CB 0.095 28.897 28.738 0.106 0.000 0.911 298 Q HN 0.565 nan 8.270 nan 0.000 0.438 299 Q N -1.702 118.198 119.800 0.166 0.000 2.472 299 Q HA 0.017 4.358 4.340 0.002 0.000 0.208 299 Q C 0.871 176.920 176.000 0.081 0.000 0.958 299 Q CA 0.674 56.566 55.803 0.148 0.000 0.932 299 Q CB 0.620 29.491 28.738 0.221 0.000 1.007 299 Q HN 0.604 nan 8.270 nan 0.000 0.508 300 G N -1.030 107.828 108.800 0.097 0.000 2.705 300 G HA2 -0.193 3.768 3.960 0.002 0.000 0.193 300 G HA3 -0.193 3.768 3.960 0.002 0.000 0.193 300 G C -0.399 174.516 174.900 0.025 0.000 1.015 300 G CA -0.731 44.370 45.100 0.000 0.000 0.743 300 G HN 0.211 nan 8.290 nan 0.000 0.476 301 Y N 1.918 122.334 120.300 0.192 0.000 2.497 301 Y HA 0.428 4.979 4.550 0.002 0.000 0.334 301 Y C 1.575 177.565 175.900 0.150 0.000 1.199 301 Y CA 0.646 58.897 58.100 0.250 0.000 1.425 301 Y CB 0.680 39.422 38.460 0.470 0.000 1.291 301 Y HN 0.289 nan 8.280 nan 0.000 0.562 302 G N 2.102 111.050 108.800 0.247 0.000 2.527 302 G HA2 0.335 4.296 3.960 0.002 0.000 0.248 302 G HA3 0.335 4.296 3.960 0.002 0.000 0.248 302 G C -1.636 173.213 174.900 -0.085 0.000 1.231 302 G CA -0.112 45.025 45.100 0.062 0.000 0.838 302 G HN 0.548 nan 8.290 nan 0.000 0.570 303 F N 0.645 120.361 119.950 -0.389 0.000 2.672 303 F HA 0.622 5.150 4.527 0.002 0.000 0.311 303 F C -0.520 174.838 175.800 -0.736 0.000 1.113 303 F CA -0.444 57.143 58.000 -0.688 0.000 0.996 303 F CB 1.295 39.803 39.000 -0.820 0.000 1.286 303 F HN 0.884 nan 8.300 nan 0.000 0.441 304 A N 2.685 124.302 122.820 -2.005 0.000 2.593 304 A HA 0.688 5.009 4.320 0.002 0.000 0.290 304 A C 0.150 176.558 177.584 -1.960 0.000 1.126 304 A CA -0.257 50.580 52.037 -2.000 0.000 0.695 304 A CB 0.968 19.384 19.000 -0.973 0.000 1.290 304 A HN 1.331 nan 8.150 nan 0.000 0.414 305 G N -0.701 107.303 108.800 -1.327 0.000 2.456 305 G HA2 0.266 4.227 3.960 0.002 0.000 0.213 305 G HA3 0.266 4.227 3.960 0.002 0.000 0.213 305 G C 0.078 174.951 174.900 -0.045 0.000 1.215 305 G CA 0.945 45.724 45.100 -0.535 0.000 0.805 305 G HN 0.671 nan 8.290 nan 0.000 0.537 306 E N -0.039 120.245 120.200 0.140 0.000 3.167 306 E HA 0.464 4.815 4.350 0.002 0.000 0.212 306 E C 0.522 177.146 176.600 0.040 0.000 1.143 306 E CA 0.085 56.554 56.400 0.115 0.000 1.002 306 E CB 0.621 30.429 29.700 0.180 0.000 1.315 306 E HN 0.423 nan 8.360 nan 0.000 0.422 307 G N 2.245 111.040 108.800 -0.008 0.000 2.203 307 G HA2 -0.329 3.632 3.960 0.002 0.000 0.263 307 G HA3 -0.329 3.632 3.960 0.002 0.000 0.263 307 G C -0.034 174.899 174.900 0.056 0.000 1.012 307 G CA 0.382 45.505 45.100 0.037 0.000 0.749 307 G HN 0.495 nan 8.290 nan 0.000 0.512 308 D N 0.933 121.288 120.400 -0.076 0.000 2.551 308 D HA 0.186 4.827 4.640 0.002 0.000 0.223 308 D C 1.814 177.977 176.300 -0.229 0.000 1.144 308 D CA -0.513 53.399 54.000 -0.146 0.000 1.025 308 D CB -0.662 40.111 40.800 -0.044 0.000 1.085 308 D HN 0.527 nan 8.370 nan 0.000 0.506 309 W N 2.930 124.184 121.300 -0.077 0.000 2.374 309 W HA -0.101 4.560 4.660 0.002 0.000 0.288 309 W C 1.003 177.473 176.519 -0.082 0.000 1.218 309 W CA 0.092 57.392 57.345 -0.074 0.000 1.245 309 W CB -0.523 28.953 29.460 0.027 0.000 1.126 309 W HN 0.190 nan 8.180 nan 0.000 0.545 310 K N 0.794 120.798 120.400 -0.660 0.000 2.002 310 K HA -0.117 4.203 4.320 0.002 0.000 0.209 310 K C 2.208 178.616 176.600 -0.320 0.000 1.048 310 K CA 2.636 58.629 56.287 -0.492 0.000 0.930 310 K CB -0.645 31.464 32.500 -0.652 0.000 0.714 310 K HN -0.001 nan 8.250 nan 0.000 0.438 311 T N 1.158 115.543 114.554 -0.281 0.000 2.788 311 T HA -0.129 4.222 4.350 0.002 0.000 0.268 311 T C 1.984 176.545 174.700 -0.233 0.000 1.044 311 T CA 1.287 63.273 62.100 -0.189 0.000 1.139 311 T CB -0.232 68.588 68.868 -0.081 0.000 0.867 311 T HN 0.320 nan 8.240 nan 0.000 0.454 312 A N 1.657 124.290 122.820 -0.311 0.000 1.877 312 A HA 0.171 4.492 4.320 0.002 0.000 0.216 312 A C 2.697 180.132 177.584 -0.249 0.000 1.186 312 A CA 1.812 53.653 52.037 -0.326 0.000 0.620 312 A CB -1.237 17.538 19.000 -0.373 0.000 0.822 312 A HN 0.501 nan 8.150 nan 0.000 0.443 313 A N -0.579 122.056 122.820 -0.307 0.000 1.908 313 A HA -0.085 4.236 4.320 0.002 0.000 0.218 313 A C 2.145 179.462 177.584 -0.444 0.000 1.181 313 A CA 1.834 53.565 52.037 -0.510 0.000 0.627 313 A CB -0.685 17.612 19.000 -1.171 0.000 0.818 313 A HN 0.656 nan 8.150 nan 0.000 0.445 314 L N -0.789 120.206 121.223 -0.381 0.000 2.012 314 L HA -0.153 4.188 4.340 0.002 0.000 0.210 314 L C 2.279 179.019 176.870 -0.217 0.000 1.073 314 L CA 2.097 56.753 54.840 -0.307 0.000 0.748 314 L CB -0.667 41.238 42.059 -0.256 0.000 0.891 314 L HN 0.372 nan 8.230 nan 0.000 0.431 315 L N -0.325 120.805 121.223 -0.156 0.000 2.013 315 L HA -0.233 4.108 4.340 0.002 0.000 0.212 315 L C 2.724 179.555 176.870 -0.066 0.000 1.073 315 L CA 2.109 56.903 54.840 -0.078 0.000 0.753 315 L CB -0.784 41.258 42.059 -0.028 0.000 0.890 315 L HN 0.357 nan 8.230 nan 0.000 0.432 316 R N -0.073 120.381 120.500 -0.077 0.000 2.075 316 R HA -0.101 4.240 4.340 0.002 0.000 0.232 316 R C 2.153 178.415 176.300 -0.062 0.000 1.126 316 R CA 1.953 58.031 56.100 -0.036 0.000 0.963 316 R CB -0.852 29.443 30.300 -0.008 0.000 0.858 316 R HN 0.513 nan 8.270 nan 0.000 0.435 317 I N 0.088 120.587 120.570 -0.118 0.000 2.127 317 I HA -0.339 3.832 4.170 0.002 0.000 0.241 317 I C 2.349 178.412 176.117 -0.091 0.000 1.075 317 I CA 1.920 63.160 61.300 -0.100 0.000 1.334 317 I CB -0.209 37.706 38.000 -0.142 0.000 1.040 317 I HN 0.223 nan 8.210 nan 0.000 0.405 318 M N -0.287 119.230 119.600 -0.137 0.000 2.175 318 M HA -0.183 4.298 4.480 0.002 0.000 0.264 318 M C 2.250 178.524 176.300 -0.043 0.000 1.063 318 M CA 1.577 56.806 55.300 -0.119 0.000 1.119 318 M CB -0.369 32.138 32.600 -0.155 0.000 1.377 318 M HN 0.098 nan 8.290 nan 0.000 0.415 319 K N 0.245 120.632 120.400 -0.022 0.000 1.978 319 K HA -0.146 4.174 4.320 0.002 0.000 0.214 319 K C 1.944 178.567 176.600 0.040 0.000 1.049 319 K CA 1.571 57.867 56.287 0.015 0.000 0.939 319 K CB -0.539 31.976 32.500 0.026 0.000 0.721 319 K HN 0.116 nan 8.250 nan 0.000 0.441 320 V N 2.027 121.963 119.914 0.036 0.000 2.250 320 V HA -0.351 3.770 4.120 0.002 0.000 0.250 320 V C 2.440 178.622 176.094 0.147 0.000 1.060 320 V CA 2.120 64.463 62.300 0.073 0.000 1.030 320 V CB -0.423 31.406 31.823 0.009 0.000 0.643 320 V HN 0.448 nan 8.190 nan 0.000 0.445 321 M N 0.930 120.583 119.600 0.087 0.000 2.108 321 M HA -0.208 4.273 4.480 0.002 0.000 0.257 321 M C 2.025 178.406 176.300 0.135 0.000 1.071 321 M CA 2.522 57.894 55.300 0.121 0.000 1.093 321 M CB -0.260 32.361 32.600 0.036 0.000 1.345 321 M HN 0.575 nan 8.290 nan 0.000 0.403 322 S N -0.917 114.827 115.700 0.073 0.000 2.701 322 S HA 0.060 4.531 4.470 0.002 0.000 0.220 322 S C 0.442 175.055 174.600 0.023 0.000 0.954 322 S CA -0.175 58.046 58.200 0.034 0.000 0.936 322 S CB -1.014 62.194 63.200 0.015 0.000 0.777 322 S HN 0.405 nan 8.310 nan 0.000 0.518 323 T N 2.542 117.137 114.554 0.070 0.000 2.908 323 T HA 0.428 4.779 4.350 0.002 0.000 0.301 323 T C 1.461 176.077 174.700 -0.141 0.000 1.019 323 T CA 0.873 62.982 62.100 0.015 0.000 1.152 323 T CB 0.276 69.242 68.868 0.163 0.000 0.966 323 T HN 0.895 nan 8.240 nan 0.000 0.540 324 G N 2.247 110.990 108.800 -0.096 0.000 2.184 324 G HA2 -0.236 3.725 3.960 0.002 0.000 0.264 324 G HA3 -0.236 3.725 3.960 0.002 0.000 0.264 324 G C 0.169 175.017 174.900 -0.086 0.000 0.975 324 G CA 0.239 45.270 45.100 -0.115 0.000 0.642 324 G HN 0.638 nan 8.290 nan 0.000 0.536 325 L N -0.766 120.418 121.223 -0.065 0.000 2.440 325 L HA 0.414 4.755 4.340 0.002 0.000 0.262 325 L C 1.927 178.786 176.870 -0.019 0.000 1.072 325 L CA -0.760 54.055 54.840 -0.041 0.000 0.798 325 L CB 0.376 42.416 42.059 -0.032 0.000 1.307 325 L HN 0.041 nan 8.230 nan 0.000 0.475 326 Q N 0.697 120.490 119.800 -0.011 0.000 2.632 326 Q HA -0.016 4.325 4.340 0.002 0.000 0.220 326 Q C 0.861 176.876 176.000 0.025 0.000 0.980 326 Q CA 0.651 56.454 55.803 0.000 0.000 0.934 326 Q CB -0.546 28.189 28.738 -0.006 0.000 0.979 326 Q HN 0.764 nan 8.270 nan 0.000 0.557 327 G N -0.098 108.719 108.800 0.028 0.000 2.977 327 G HA2 -0.060 3.901 3.960 0.002 0.000 0.308 327 G HA3 -0.060 3.901 3.960 0.002 0.000 0.308 327 G C 0.291 175.250 174.900 0.098 0.000 1.491 327 G CA -0.217 44.912 45.100 0.048 0.000 0.971 327 G HN 0.949 nan 8.290 nan 0.000 0.557 328 G N -1.500 107.360 108.800 0.101 0.000 2.858 328 G HA2 0.455 4.416 3.960 0.002 0.000 0.272 328 G HA3 0.455 4.416 3.960 0.002 0.000 0.272 328 G C -0.270 174.690 174.900 0.100 0.000 1.003 328 G CA 0.529 45.718 45.100 0.147 0.000 1.241 328 G HN 1.995 nan 8.290 nan 0.000 0.569 329 T N 0.500 115.108 114.554 0.089 0.000 3.031 329 T HA 0.744 5.095 4.350 0.002 0.000 0.305 329 T C -0.268 174.495 174.700 0.105 0.000 0.985 329 T CA 0.077 62.222 62.100 0.074 0.000 1.008 329 T CB 1.904 70.790 68.868 0.030 0.000 1.005 329 T HN 1.378 nan 8.240 nan 0.000 0.444 330 S N 2.344 118.131 115.700 0.144 0.000 2.588 330 S HA 0.750 5.221 4.470 0.002 0.000 0.275 330 S C -1.049 173.643 174.600 0.154 0.000 1.130 330 S CA -0.766 57.519 58.200 0.142 0.000 0.855 330 S CB 0.983 64.243 63.200 0.101 0.000 1.116 330 S HN 0.530 nan 8.310 nan 0.000 0.472 331 F N 3.584 123.540 119.950 0.010 0.000 2.518 331 F HA 0.656 5.184 4.527 0.002 0.000 0.359 331 F C -0.236 175.543 175.800 -0.035 0.000 1.118 331 F CA 0.139 58.115 58.000 -0.039 0.000 1.287 331 F CB 0.804 39.778 39.000 -0.044 0.000 1.132 331 F HN 0.662 nan 8.300 nan 0.000 0.587 332 M N 5.172 124.246 119.600 -0.878 0.000 2.465 332 M HA 0.337 4.818 4.480 0.002 0.000 0.284 332 M C -1.830 174.114 176.300 -0.593 0.000 1.212 332 M CA -0.400 54.539 55.300 -0.602 0.000 0.910 332 M CB 2.039 34.538 32.600 -0.167 0.000 1.725 332 M HN 0.695 nan 8.290 nan 0.000 0.477 333 E N 1.439 121.480 120.200 -0.264 0.000 2.292 333 E HA 0.436 4.787 4.350 0.002 0.000 0.272 333 E C -1.536 175.145 176.600 0.134 0.000 0.881 333 E CA -0.647 55.795 56.400 0.070 0.000 0.754 333 E CB 1.396 31.313 29.700 0.361 0.000 1.201 333 E HN 0.746 nan 8.360 nan 0.000 0.425 334 D N 3.576 124.083 120.400 0.178 0.000 2.339 334 D HA 0.097 4.738 4.640 0.002 0.000 0.256 334 D C -0.038 176.301 176.300 0.065 0.000 1.214 334 D CA 0.280 54.344 54.000 0.106 0.000 0.877 334 D CB 0.546 41.409 40.800 0.105 0.000 1.111 334 D HN 0.424 nan 8.370 nan 0.000 0.478 335 Y N 1.383 121.557 120.300 -0.209 0.000 2.353 335 Y HA 0.039 4.590 4.550 0.002 0.000 0.294 335 Y C 1.135 176.854 175.900 -0.302 0.000 1.135 335 Y CA 0.382 58.352 58.100 -0.216 0.000 1.176 335 Y CB 1.057 39.400 38.460 -0.194 0.000 1.124 335 Y HN 0.420 nan 8.280 nan 0.000 0.537 336 T N -1.761 112.643 114.554 -0.250 0.000 2.733 336 T HA 0.335 4.686 4.350 0.002 0.000 0.312 336 T C -2.197 172.282 174.700 -0.368 0.000 1.590 336 T CA -0.617 61.249 62.100 -0.391 0.000 1.005 336 T CB 0.421 69.152 68.868 -0.230 0.000 1.528 336 T HN -0.129 nan 8.240 nan 0.000 0.496 337 Y N 1.356 121.519 120.300 -0.227 0.000 2.567 337 Y HA 0.619 5.170 4.550 0.002 0.000 0.333 337 Y C 0.310 176.000 175.900 -0.350 0.000 1.106 337 Y CA -1.150 56.709 58.100 -0.402 0.000 1.157 337 Y CB 1.152 39.185 38.460 -0.712 0.000 1.277 337 Y HN 0.619 nan 8.280 nan 0.000 0.490 338 H N 2.348 121.228 119.070 -0.316 0.000 2.860 338 H HA 0.342 4.899 4.556 0.002 0.000 0.312 338 H C -1.867 173.270 175.328 -0.317 0.000 0.995 338 H CA -0.796 55.112 56.048 -0.232 0.000 1.311 338 H CB 0.121 29.800 29.762 -0.138 0.000 1.478 338 H HN 0.529 nan 8.280 nan 0.000 0.508 339 F N 3.733 123.564 119.950 -0.199 0.000 2.411 339 F HA 0.303 4.831 4.527 0.002 0.000 0.355 339 F C 0.635 176.345 175.800 -0.151 0.000 1.117 339 F CA -0.052 57.879 58.000 -0.116 0.000 1.139 339 F CB 1.053 39.999 39.000 -0.091 0.000 1.120 339 F HN 0.484 nan 8.300 nan 0.000 0.493 340 E N 3.042 123.346 120.200 0.174 0.000 2.381 340 E HA 0.145 4.496 4.350 0.002 0.000 0.286 340 E C -1.358 175.318 176.600 0.126 0.000 0.960 340 E CA -0.943 55.543 56.400 0.144 0.000 0.793 340 E CB 1.439 31.288 29.700 0.249 0.000 1.225 340 E HN 0.468 nan 8.360 nan 0.000 0.420 341 K N 1.318 121.770 120.400 0.086 0.000 2.366 341 K HA 0.137 4.458 4.320 0.002 0.000 0.279 341 K C 0.606 177.242 176.600 0.059 0.000 1.098 341 K CA 1.454 57.779 56.287 0.063 0.000 1.087 341 K CB 0.097 32.623 32.500 0.042 0.000 0.901 341 K HN 0.782 nan 8.250 nan 0.000 0.463 342 G N 2.996 111.828 108.800 0.054 0.000 2.137 342 G HA2 -0.302 3.659 3.960 0.002 0.000 0.237 342 G HA3 -0.302 3.659 3.960 0.002 0.000 0.237 342 G C 0.134 175.057 174.900 0.040 0.000 1.002 342 G CA 0.229 45.353 45.100 0.040 0.000 0.702 342 G HN 0.810 nan 8.290 nan 0.000 0.515 343 N N -0.090 118.645 118.700 0.057 0.000 2.498 343 N HA 0.060 4.801 4.740 0.002 0.000 0.272 343 N C -1.144 174.408 175.510 0.070 0.000 1.534 343 N CA -0.417 52.658 53.050 0.042 0.000 0.873 343 N CB 0.442 38.951 38.487 0.037 0.000 1.415 343 N HN 0.113 nan 8.380 nan 0.000 0.496 344 D N 1.792 122.222 120.400 0.050 0.000 2.358 344 D HA 0.214 4.855 4.640 0.002 0.000 0.258 344 D C 0.003 176.254 176.300 -0.082 0.000 1.223 344 D CA 0.583 54.582 54.000 -0.002 0.000 0.886 344 D CB 1.337 42.124 40.800 -0.023 0.000 1.120 344 D HN 0.343 nan 8.370 nan 0.000 0.482 345 L N 1.557 122.714 121.223 -0.110 0.000 2.341 345 L HA 0.521 4.862 4.340 0.002 0.000 0.267 345 L C -0.297 176.424 176.870 -0.249 0.000 1.009 345 L CA -1.213 53.522 54.840 -0.175 0.000 0.819 345 L CB 2.139 44.086 42.059 -0.186 0.000 1.323 345 L HN -0.021 nan 8.230 nan 0.000 0.425 346 V N 2.566 122.224 119.914 -0.426 0.000 2.435 346 V HA 0.355 4.476 4.120 0.002 0.000 0.290 346 V C -0.387 175.241 176.094 -0.778 0.000 1.030 346 V CA -0.574 61.402 62.300 -0.540 0.000 0.881 346 V CB 1.897 33.237 31.823 -0.805 0.000 0.983 346 V HN 0.401 nan 8.190 nan 0.000 0.445 347 L N 4.656 125.580 121.223 -0.499 0.000 2.264 347 L HA 0.801 5.142 4.340 0.002 0.000 0.289 347 L C 0.545 177.133 176.870 -0.470 0.000 1.044 347 L CA 0.438 55.011 54.840 -0.445 0.000 0.807 347 L CB 0.912 42.844 42.059 -0.211 0.000 1.192 347 L HN 0.741 nan 8.230 nan 0.000 0.425 348 G N 2.638 111.107 108.800 -0.552 0.000 2.356 348 G HA2 0.608 4.569 3.960 0.002 0.000 0.322 348 G HA3 0.608 4.569 3.960 0.002 0.000 0.322 348 G C -0.815 173.901 174.900 -0.305 0.000 1.125 348 G CA 0.144 45.078 45.100 -0.278 0.000 0.885 348 G HN 0.766 nan 8.290 nan 0.000 0.467 349 S N 0.453 115.891 115.700 -0.436 0.000 2.761 349 S HA 0.628 5.099 4.470 0.002 0.000 0.290 349 S C -1.688 172.525 174.600 -0.646 0.000 1.222 349 S CA -0.639 57.149 58.200 -0.686 0.000 0.954 349 S CB 0.990 63.557 63.200 -1.054 0.000 1.281 349 S HN 0.934 nan 8.310 nan 0.000 0.527 350 H N -0.121 118.490 119.070 -0.766 0.000 3.003 350 H HA 0.300 4.857 4.556 0.002 0.000 0.327 350 H C 0.894 176.145 175.328 -0.128 0.000 1.353 350 H CA 0.213 56.085 56.048 -0.293 0.000 1.142 350 H CB 1.379 31.142 29.762 0.003 0.000 1.864 350 H HN 0.752 nan 8.280 nan 0.000 0.529 351 M N 1.260 120.846 119.600 -0.024 0.000 2.492 351 M HA -0.352 4.129 4.480 0.002 0.000 0.253 351 M C 0.398 176.737 176.300 0.065 0.000 1.038 351 M CA 3.104 58.450 55.300 0.076 0.000 1.046 351 M CB -0.054 32.627 32.600 0.136 0.000 1.330 351 M HN 0.624 nan 8.290 nan 0.000 0.440 352 L N -4.427 116.872 121.223 0.126 0.000 1.906 352 L HA 0.120 4.461 4.340 0.002 0.000 0.169 352 L C 0.014 176.888 176.870 0.007 0.000 1.261 352 L CA -0.470 54.380 54.840 0.016 0.000 1.110 352 L CB 0.002 42.066 42.059 0.008 0.000 2.318 352 L HN -0.135 nan 8.230 nan 0.000 0.489 353 E N 3.317 123.575 120.200 0.096 0.000 1.954 353 E HA 0.278 4.629 4.350 0.002 0.000 0.272 353 E C -0.088 176.578 176.600 0.110 0.000 1.170 353 E CA 0.194 56.612 56.400 0.029 0.000 1.101 353 E CB -0.161 29.515 29.700 -0.040 0.000 1.076 353 E HN 0.312 nan 8.360 nan 0.000 0.449 354 V N 1.452 121.376 119.914 0.015 0.000 2.417 354 V HA 0.262 4.383 4.120 0.002 0.000 0.291 354 V C 0.046 176.259 176.094 0.198 0.000 1.024 354 V CA -1.307 61.016 62.300 0.038 0.000 0.861 354 V CB 1.683 33.417 31.823 -0.148 0.000 0.985 354 V HN 0.667 nan 8.190 nan 0.000 0.436 355 C N 7.803 127.230 119.300 0.212 0.000 2.576 355 C HA 0.539 5.000 4.460 0.002 0.000 0.401 355 C C -0.499 174.612 174.990 0.203 0.000 1.314 355 C CA -0.576 58.558 59.018 0.194 0.000 1.855 355 C CB 0.748 28.569 27.740 0.134 0.000 2.537 355 C HN 0.805 nan 8.230 nan 0.000 0.578 356 P HA -0.042 nan 4.420 nan 0.000 0.245 356 P C 1.206 178.310 177.300 -0.326 0.000 1.212 356 P CA 1.012 63.820 63.100 -0.486 0.000 0.774 356 P CB -0.161 31.376 31.700 -0.272 0.000 0.999 357 S N -0.051 115.587 115.700 -0.103 0.000 2.474 357 S HA -0.050 4.421 4.470 0.002 0.000 0.235 357 S C 1.599 176.182 174.600 -0.028 0.000 0.997 357 S CA 0.523 58.698 58.200 -0.041 0.000 0.949 357 S CB -1.148 62.067 63.200 0.025 0.000 0.766 357 S HN 0.179 nan 8.310 nan 0.000 0.517 358 I N 1.008 121.549 120.570 -0.050 0.000 3.928 358 I HA 0.363 4.534 4.170 0.002 0.000 0.335 358 I C 1.174 177.284 176.117 -0.010 0.000 1.325 358 I CA -0.253 61.079 61.300 0.053 0.000 1.107 358 I CB -0.820 37.230 38.000 0.083 0.000 1.014 358 I HN 0.273 nan 8.210 nan 0.000 0.400 359 A N 1.354 124.016 122.820 -0.262 0.000 2.313 359 A HA 0.438 4.759 4.320 0.002 0.000 0.261 359 A C 1.210 178.738 177.584 -0.094 0.000 1.090 359 A CA -0.245 51.601 52.037 -0.318 0.000 0.807 359 A CB 0.921 19.432 19.000 -0.815 0.000 1.055 359 A HN 0.024 nan 8.150 nan 0.000 0.492 360 V N 0.745 120.646 119.914 -0.022 0.000 2.339 360 V HA -0.034 4.087 4.120 0.002 0.000 0.234 360 V C 1.602 177.690 176.094 -0.011 0.000 1.053 360 V CA 1.433 63.736 62.300 0.004 0.000 1.042 360 V CB -1.527 30.317 31.823 0.035 0.000 0.678 360 V HN 1.016 nan 8.190 nan 0.000 0.475 361 E N 1.508 121.716 120.200 0.013 0.000 4.442 361 E HA -0.028 4.322 4.350 0.002 0.000 0.560 361 E C -0.268 176.345 176.600 0.022 0.000 1.511 361 E CA 0.257 56.674 56.400 0.028 0.000 3.706 361 E CB 0.056 29.792 29.700 0.061 0.000 1.276 361 E HN 0.562 nan 8.360 nan 0.000 0.419 362 E N -0.492 119.739 120.200 0.052 0.000 2.260 362 E HA 0.399 4.750 4.350 0.002 0.000 0.266 362 E C -1.026 175.664 176.600 0.150 0.000 0.887 362 E CA -0.387 56.064 56.400 0.084 0.000 0.777 362 E CB 1.816 31.549 29.700 0.055 0.000 1.205 362 E HN 0.443 nan 8.360 nan 0.000 0.414 363 K N 2.769 123.307 120.400 0.230 0.000 2.118 363 K HA 0.514 4.835 4.320 0.002 0.000 0.267 363 K C -2.768 173.924 176.600 0.153 0.000 0.991 363 K CA -1.824 54.584 56.287 0.203 0.000 0.916 363 K CB 0.059 32.714 32.500 0.259 0.000 1.041 363 K HN 0.200 nan 8.250 nan 0.000 0.455 364 P HA 0.170 nan 4.420 nan 0.000 0.271 364 P C -0.399 176.865 177.300 -0.060 0.000 1.220 364 P CA -0.195 62.922 63.100 0.028 0.000 0.768 364 P CB 0.387 32.096 31.700 0.014 0.000 0.848 365 I N 4.877 125.401 120.570 -0.077 0.000 2.317 365 I HA 0.232 4.403 4.170 0.002 0.000 0.286 365 I C -0.913 175.140 176.117 -0.106 0.000 1.119 365 I CA -0.881 60.314 61.300 -0.175 0.000 1.228 365 I CB -0.113 37.755 38.000 -0.221 0.000 1.476 365 I HN 0.139 nan 8.210 nan 0.000 0.514 366 L N 5.613 126.776 121.223 -0.100 0.000 2.358 366 L HA 0.509 4.850 4.340 0.002 0.000 0.268 366 L C 0.143 176.969 176.870 -0.073 0.000 1.032 366 L CA 0.450 55.250 54.840 -0.067 0.000 0.805 366 L CB 1.656 43.683 42.059 -0.055 0.000 1.253 366 L HN 0.413 nan 8.230 nan 0.000 0.452 367 D N 0.424 120.795 120.400 -0.048 0.000 2.566 367 D HA 0.072 4.713 4.640 0.002 0.000 0.253 367 D C 0.252 176.534 176.300 -0.029 0.000 0.992 367 D CA 0.707 54.683 54.000 -0.040 0.000 0.940 367 D CB 0.172 40.956 40.800 -0.027 0.000 1.095 367 D HN 0.214 nan 8.370 nan 0.000 0.480 368 V N 1.465 121.367 119.914 -0.019 0.000 5.605 368 V HA -0.230 3.891 4.120 0.002 0.000 0.135 368 V C 1.206 177.297 176.094 -0.006 0.000 0.768 368 V CA 1.775 64.070 62.300 -0.010 0.000 0.541 368 V CB -1.226 30.587 31.823 -0.016 0.000 0.237 368 V HN 0.473 nan 8.190 nan 0.000 0.328 369 Q N 2.751 122.559 119.800 0.014 0.000 2.245 369 Q HA 0.121 4.462 4.340 0.002 0.000 0.236 369 Q C 0.936 176.965 176.000 0.050 0.000 0.842 369 Q CA 0.505 56.315 55.803 0.012 0.000 0.945 369 Q CB 0.093 28.836 28.738 0.008 0.000 1.122 369 Q HN 0.952 nan 8.270 nan 0.000 0.506 370 H N 0.877 119.924 119.070 -0.038 0.000 3.254 370 H HA 0.218 4.775 4.556 0.002 0.000 0.253 370 H C -0.790 174.510 175.328 -0.047 0.000 0.853 370 H CA -0.231 55.794 56.048 -0.039 0.000 1.404 370 H CB -0.423 29.317 29.762 -0.037 0.000 1.483 370 H HN 0.312 nan 8.280 nan 0.000 0.522 371 L N 5.980 127.105 121.223 -0.163 0.000 2.295 371 L HA 0.367 4.708 4.340 0.002 0.000 0.281 371 L C 1.362 178.002 176.870 -0.384 0.000 1.018 371 L CA 0.291 54.953 54.840 -0.295 0.000 0.841 371 L CB 1.244 43.226 42.059 -0.128 0.000 1.218 371 L HN 0.815 nan 8.230 nan 0.000 0.424 372 G N 5.538 113.942 108.800 -0.660 0.000 2.422 372 G HA2 -0.105 3.856 3.960 0.002 0.000 0.218 372 G HA3 -0.105 3.856 3.960 0.002 0.000 0.218 372 G C 0.889 175.677 174.900 -0.186 0.000 1.146 372 G CA 0.079 44.971 45.100 -0.347 0.000 0.769 372 G HN 0.536 nan 8.290 nan 0.000 0.547 373 I N 1.012 121.421 120.570 -0.269 0.000 2.815 373 I HA 0.211 4.382 4.170 0.002 0.000 0.291 373 I C 1.817 177.817 176.117 -0.195 0.000 1.209 373 I CA 1.307 62.399 61.300 -0.346 0.000 1.431 373 I CB 0.639 38.282 38.000 -0.595 0.000 1.351 373 I HN 0.386 nan 8.210 nan 0.000 0.585 374 G N 4.071 112.826 108.800 -0.075 0.000 2.435 374 G HA2 -0.280 3.681 3.960 0.002 0.000 0.245 374 G HA3 -0.280 3.681 3.960 0.002 0.000 0.245 374 G C 1.045 175.974 174.900 0.050 0.000 1.073 374 G CA 0.258 45.422 45.100 0.108 0.000 0.638 374 G HN 1.813 nan 8.290 nan 0.000 0.521 375 G N -0.510 108.301 108.800 0.018 0.000 2.212 375 G HA2 -0.105 3.856 3.960 0.002 0.000 0.255 375 G HA3 -0.105 3.856 3.960 0.002 0.000 0.255 375 G C 0.182 175.095 174.900 0.021 0.000 1.062 375 G CA 1.433 46.549 45.100 0.028 0.000 0.815 375 G HN 0.961 nan 8.290 nan 0.000 0.497 376 K N -0.096 120.318 120.400 0.023 0.000 2.316 376 K HA 0.485 4.806 4.320 0.002 0.000 0.234 376 K C 0.471 177.089 176.600 0.029 0.000 1.054 376 K CA -0.917 55.380 56.287 0.016 0.000 0.879 376 K CB 0.758 33.261 32.500 0.006 0.000 1.252 376 K HN 0.113 nan 8.250 nan 0.000 0.471 377 D N 1.195 121.605 120.400 0.016 0.000 2.243 377 D HA -0.047 4.594 4.640 0.002 0.000 0.237 377 D C -0.313 176.002 176.300 0.025 0.000 1.364 377 D CA 0.485 54.495 54.000 0.017 0.000 0.927 377 D CB 0.338 41.141 40.800 0.005 0.000 1.216 377 D HN 0.219 nan 8.370 nan 0.000 0.517 378 D N 1.116 121.529 120.400 0.021 0.000 2.325 378 D HA 0.189 4.830 4.640 0.002 0.000 0.251 378 D C -2.064 174.235 176.300 -0.002 0.000 1.196 378 D CA -1.094 52.919 54.000 0.022 0.000 0.866 378 D CB 0.746 41.557 40.800 0.019 0.000 1.101 378 D HN 0.012 nan 8.370 nan 0.000 0.476 379 P HA 0.155 nan 4.420 nan 0.000 0.275 379 P C -0.871 176.399 177.300 -0.051 0.000 1.228 379 P CA -0.521 62.561 63.100 -0.031 0.000 0.786 379 P CB 0.785 32.467 31.700 -0.031 0.000 0.927 380 A N 3.641 126.418 122.820 -0.071 0.000 2.331 380 A HA 0.644 4.965 4.320 0.002 0.000 0.283 380 A C 0.454 177.955 177.584 -0.139 0.000 1.142 380 A CA -0.172 51.798 52.037 -0.112 0.000 0.812 380 A CB 0.254 19.170 19.000 -0.140 0.000 1.074 380 A HN 0.680 nan 8.150 nan 0.000 0.497 381 R N 1.762 122.165 120.500 -0.161 0.000 2.810 381 R HA 0.638 4.979 4.340 0.002 0.000 0.266 381 R C -2.280 173.890 176.300 -0.216 0.000 1.061 381 R CA -0.816 55.179 56.100 -0.175 0.000 0.943 381 R CB 0.301 30.517 30.300 -0.138 0.000 1.237 381 R HN 0.516 nan 8.270 nan 0.000 0.459 382 L N 1.753 122.853 121.223 -0.206 0.000 2.325 382 L HA 0.558 4.899 4.340 0.002 0.000 0.281 382 L C -0.163 176.590 176.870 -0.196 0.000 1.004 382 L CA -0.867 53.866 54.840 -0.178 0.000 0.823 382 L CB 1.722 43.713 42.059 -0.113 0.000 1.236 382 L HN 0.447 nan 8.230 nan 0.000 0.415 383 I N 4.225 124.703 120.570 -0.153 0.000 2.392 383 I HA 0.526 4.697 4.170 0.002 0.000 0.295 383 I C -0.626 175.443 176.117 -0.081 0.000 0.985 383 I CA -0.424 60.736 61.300 -0.233 0.000 1.221 383 I CB 1.150 39.069 38.000 -0.135 0.000 1.366 383 I HN 0.445 nan 8.210 nan 0.000 0.467 384 F N 3.578 123.488 119.950 -0.066 0.000 2.770 384 F HA 0.483 5.011 4.527 0.002 0.000 0.313 384 F C -1.516 174.255 175.800 -0.048 0.000 1.154 384 F CA -1.366 56.608 58.000 -0.043 0.000 0.923 384 F CB 0.581 39.563 39.000 -0.029 0.000 1.301 384 F HN 0.207 nan 8.300 nan 0.000 0.449 385 N N 0.386 119.255 118.700 0.282 0.000 2.492 385 N HA 0.493 5.234 4.740 0.002 0.000 0.289 385 N C -0.830 174.836 175.510 0.259 0.000 1.133 385 N CA -0.419 52.740 53.050 0.182 0.000 0.961 385 N CB 1.749 40.293 38.487 0.094 0.000 1.186 385 N HN 0.727 nan 8.380 nan 0.000 0.493 386 T N 1.227 115.886 114.554 0.175 0.000 2.909 386 T HA 0.185 4.536 4.350 0.002 0.000 0.286 386 T C 0.560 175.383 174.700 0.205 0.000 1.002 386 T CA -0.540 61.668 62.100 0.180 0.000 1.074 386 T CB 0.843 69.757 68.868 0.077 0.000 0.984 386 T HN 0.231 nan 8.240 nan 0.000 0.495 387 Q N 1.193 121.153 119.800 0.267 0.000 2.432 387 Q HA 0.172 4.512 4.340 0.002 0.000 0.264 387 Q C 0.264 176.386 176.000 0.204 0.000 1.035 387 Q CA 0.099 56.018 55.803 0.193 0.000 0.908 387 Q CB 0.369 29.175 28.738 0.112 0.000 1.280 387 Q HN 0.539 nan 8.270 nan 0.000 0.455 388 T N 0.670 115.256 114.554 0.052 0.000 2.904 388 T HA 0.564 4.915 4.350 0.002 0.000 0.290 388 T C 0.185 174.835 174.700 -0.083 0.000 1.018 388 T CA 0.297 62.420 62.100 0.039 0.000 1.075 388 T CB 0.995 69.873 68.868 0.016 0.000 0.986 388 T HN 0.836 nan 8.240 nan 0.000 0.523 389 G N 2.573 111.366 108.800 -0.013 0.000 2.355 389 G HA2 0.121 4.081 3.960 0.002 0.000 0.619 389 G HA3 0.121 4.081 3.960 0.002 0.000 0.619 389 G C -3.385 171.520 174.900 0.009 0.000 1.337 389 G CA -1.391 43.669 45.100 -0.066 0.000 0.993 389 G HN 0.569 nan 8.290 nan 0.000 0.599 390 P HA 0.462 nan 4.420 nan 0.000 0.265 390 P C 0.160 177.477 177.300 0.028 0.000 1.193 390 P CA 1.075 64.177 63.100 0.004 0.000 0.765 390 P CB 1.182 32.870 31.700 -0.019 0.000 0.823 391 A N 3.172 125.948 122.820 -0.073 0.000 2.552 391 A HA 0.882 5.203 4.320 0.002 0.000 0.288 391 A C -0.914 176.447 177.584 -0.372 0.000 1.193 391 A CA -0.697 51.169 52.037 -0.284 0.000 0.713 391 A CB 1.090 19.695 19.000 -0.659 0.000 1.305 391 A HN 0.556 nan 8.150 nan 0.000 0.424 392 I N -1.742 118.522 120.570 -0.510 0.000 2.828 392 I HA 0.841 5.012 4.170 0.002 0.000 0.302 392 I C -0.831 174.982 176.117 -0.507 0.000 1.101 392 I CA -1.252 59.809 61.300 -0.398 0.000 1.031 392 I CB 2.259 40.128 38.000 -0.219 0.000 1.231 392 I HN 0.631 nan 8.210 nan 0.000 0.427 393 V N 1.747 121.456 119.914 -0.342 0.000 2.448 393 V HA 0.968 5.089 4.120 0.002 0.000 0.295 393 V C 0.015 176.130 176.094 0.037 0.000 1.025 393 V CA -0.436 61.735 62.300 -0.216 0.000 0.859 393 V CB 0.806 32.446 31.823 -0.305 0.000 0.988 393 V HN 1.107 nan 8.190 nan 0.000 0.431 394 A N 3.476 126.327 122.820 0.051 0.000 2.350 394 A HA 0.920 5.241 4.320 0.002 0.000 0.324 394 A C -0.121 177.549 177.584 0.144 0.000 1.118 394 A CA -0.307 51.783 52.037 0.088 0.000 0.783 394 A CB 1.859 20.828 19.000 -0.051 0.000 1.236 394 A HN 1.627 nan 8.150 nan 0.000 0.457 395 S N 1.729 117.498 115.700 0.116 0.000 2.672 395 S HA 0.547 5.018 4.470 0.002 0.000 0.291 395 S C -1.470 173.100 174.600 -0.050 0.000 1.145 395 S CA -0.468 57.765 58.200 0.055 0.000 1.013 395 S CB 0.841 64.122 63.200 0.134 0.000 1.017 395 S HN 1.104 nan 8.310 nan 0.000 0.487 396 L N 7.132 128.325 121.223 -0.050 0.000 2.264 396 L HA 0.739 5.080 4.340 0.002 0.000 0.289 396 L C -0.563 176.303 176.870 -0.008 0.000 1.044 396 L CA -0.415 54.411 54.840 -0.022 0.000 0.807 396 L CB 0.856 42.876 42.059 -0.065 0.000 1.192 396 L HN 0.735 nan 8.230 nan 0.000 0.425 397 I N 0.391 120.980 120.570 0.032 0.000 2.740 397 I HA 0.561 4.732 4.170 0.002 0.000 0.303 397 I C -0.989 175.135 176.117 0.011 0.000 1.044 397 I CA -0.851 60.447 61.300 -0.005 0.000 1.064 397 I CB 2.059 40.017 38.000 -0.068 0.000 1.249 397 I HN 0.403 nan 8.210 nan 0.000 0.433 398 D N 4.718 125.063 120.400 -0.092 0.000 2.347 398 D HA 0.332 4.973 4.640 0.002 0.000 0.235 398 D C 0.329 176.506 176.300 -0.204 0.000 1.149 398 D CA -0.212 53.611 54.000 -0.295 0.000 0.850 398 D CB 1.502 42.170 40.800 -0.219 0.000 1.061 398 D HN 0.657 nan 8.370 nan 0.000 0.487 399 L N 3.170 124.258 121.223 -0.224 0.000 2.627 399 L HA 0.238 4.579 4.340 0.002 0.000 0.232 399 L C 1.822 178.613 176.870 -0.132 0.000 1.150 399 L CA 0.265 55.021 54.840 -0.139 0.000 0.917 399 L CB -0.216 41.777 42.059 -0.111 0.000 1.104 399 L HN 0.753 nan 8.230 nan 0.000 0.445 400 G N 1.230 109.929 108.800 -0.167 0.000 3.079 400 G HA2 -0.365 3.596 3.960 0.002 0.000 0.214 400 G HA3 -0.365 3.596 3.960 0.002 0.000 0.214 400 G C 0.750 175.576 174.900 -0.122 0.000 1.335 400 G CA 0.361 45.391 45.100 -0.116 0.000 0.822 400 G HN 0.485 nan 8.290 nan 0.000 0.545 401 D N 1.382 121.714 120.400 -0.113 0.000 2.367 401 D HA 0.202 4.843 4.640 0.002 0.000 0.207 401 D C 1.187 177.430 176.300 -0.096 0.000 1.034 401 D CA 1.148 55.096 54.000 -0.088 0.000 0.861 401 D CB 0.115 40.874 40.800 -0.069 0.000 0.943 401 D HN 1.011 nan 8.370 nan 0.000 0.515 402 R N -2.121 118.286 120.500 -0.154 0.000 2.756 402 R HA 0.467 4.808 4.340 0.002 0.000 0.273 402 R C -1.558 174.590 176.300 -0.253 0.000 1.030 402 R CA -0.953 55.074 56.100 -0.121 0.000 0.887 402 R CB 0.355 30.638 30.300 -0.028 0.000 1.274 402 R HN -0.131 nan 8.270 nan 0.000 0.461 403 Y N -0.166 120.137 120.300 0.005 0.000 2.457 403 Y HA 0.576 5.127 4.550 0.002 0.000 0.333 403 Y C 0.227 176.106 175.900 -0.034 0.000 1.119 403 Y CA -0.792 57.332 58.100 0.040 0.000 1.143 403 Y CB 1.902 40.477 38.460 0.192 0.000 1.230 403 Y HN 0.389 nan 8.280 nan 0.000 0.469 404 R N 2.414 122.980 120.500 0.110 0.000 2.561 404 R HA 0.590 4.931 4.340 0.002 0.000 0.297 404 R C -2.217 174.099 176.300 0.026 0.000 0.969 404 R CA -0.994 55.110 56.100 0.006 0.000 0.879 404 R CB 1.293 31.555 30.300 -0.063 0.000 1.178 404 R HN 0.690 nan 8.270 nan 0.000 0.445 405 L N 5.407 126.643 121.223 0.022 0.000 2.280 405 L HA 0.442 4.782 4.340 0.002 0.000 0.287 405 L C -1.673 175.172 176.870 -0.041 0.000 1.023 405 L CA -0.442 54.412 54.840 0.023 0.000 0.819 405 L CB 1.337 43.469 42.059 0.122 0.000 1.212 405 L HN 0.589 nan 8.230 nan 0.000 0.420 406 L N 6.017 127.159 121.223 -0.135 0.000 2.282 406 L HA 0.643 4.984 4.340 0.002 0.000 0.288 406 L C -0.564 176.284 176.870 -0.038 0.000 1.033 406 L CA -0.217 54.496 54.840 -0.211 0.000 0.807 406 L CB 1.820 43.447 42.059 -0.719 0.000 1.209 406 L HN 0.327 nan 8.230 nan 0.000 0.423 407 V N 2.577 122.543 119.914 0.088 0.000 2.588 407 V HA 0.505 4.626 4.120 0.002 0.000 0.304 407 V C -0.631 175.601 176.094 0.229 0.000 1.042 407 V CA -0.725 61.672 62.300 0.162 0.000 0.877 407 V CB 2.010 33.879 31.823 0.077 0.000 0.996 407 V HN 0.729 nan 8.190 nan 0.000 0.425 408 N N 2.794 121.642 118.700 0.245 0.000 2.407 408 N HA 0.373 5.114 4.740 0.002 0.000 0.277 408 N C -0.577 174.923 175.510 -0.016 0.000 0.995 408 N CA -0.279 52.861 53.050 0.149 0.000 0.903 408 N CB 1.344 39.919 38.487 0.147 0.000 1.218 408 N HN 0.688 nan 8.380 nan 0.000 0.487 409 C N 4.519 123.813 119.300 -0.010 0.000 2.637 409 C HA 0.538 4.999 4.460 0.002 0.000 0.418 409 C C 0.885 175.820 174.990 -0.091 0.000 1.319 409 C CA -0.516 58.466 59.018 -0.061 0.000 1.949 409 C CB -1.748 25.982 27.740 -0.018 0.000 2.639 409 C HN 0.670 nan 8.230 nan 0.000 0.594 410 I N -0.222 120.258 120.570 -0.150 0.000 3.191 410 I HA 0.659 4.830 4.170 0.002 0.000 0.313 410 I C -1.463 174.631 176.117 -0.039 0.000 1.193 410 I CA -0.577 60.650 61.300 -0.122 0.000 0.968 410 I CB 2.293 40.070 38.000 -0.371 0.000 1.262 410 I HN 0.306 nan 8.210 nan 0.000 0.456 411 D N 2.741 123.188 120.400 0.080 0.000 2.421 411 D HA 0.256 4.897 4.640 0.002 0.000 0.254 411 D C -0.620 175.816 176.300 0.226 0.000 1.238 411 D CA -0.097 53.974 54.000 0.118 0.000 0.919 411 D CB 2.201 43.050 40.800 0.082 0.000 1.152 411 D HN 0.755 nan 8.370 nan 0.000 0.552 412 T N -1.074 113.659 114.554 0.297 0.000 2.900 412 T HA 0.442 4.793 4.350 0.002 0.000 0.307 412 T C 0.655 175.480 174.700 0.209 0.000 1.065 412 T CA -0.591 61.727 62.100 0.363 0.000 1.105 412 T CB 1.283 70.444 68.868 0.489 0.000 0.979 412 T HN 0.199 nan 8.240 nan 0.000 0.544 413 V N -1.095 118.917 119.914 0.163 0.000 2.971 413 V HA 0.626 4.747 4.120 0.002 0.000 0.309 413 V C -0.278 175.843 176.094 0.045 0.000 1.130 413 V CA -1.592 60.754 62.300 0.076 0.000 0.964 413 V CB 1.776 33.621 31.823 0.037 0.000 1.029 413 V HN 1.061 nan 8.190 nan 0.000 0.427 414 K N 2.631 123.042 120.400 0.018 0.000 2.451 414 K HA 0.275 4.596 4.320 0.002 0.000 0.280 414 K C 0.561 177.136 176.600 -0.041 0.000 1.020 414 K CA 0.359 56.645 56.287 -0.002 0.000 1.008 414 K CB 0.622 33.115 32.500 -0.011 0.000 0.917 414 K HN 1.151 nan 8.250 nan 0.000 0.478 415 T N 2.607 117.135 114.554 -0.045 0.000 2.934 415 T HA 0.093 4.444 4.350 0.002 0.000 0.306 415 T C -1.689 172.935 174.700 -0.127 0.000 1.042 415 T CA -1.335 60.718 62.100 -0.077 0.000 1.145 415 T CB 0.723 69.561 68.868 -0.050 0.000 0.982 415 T HN 0.495 nan 8.240 nan 0.000 0.544 416 P HA 0.041 nan 4.420 nan 0.000 0.222 416 P C 0.195 177.106 177.300 -0.649 0.000 1.153 416 P CA 0.998 63.844 63.100 -0.423 0.000 0.798 416 P CB 0.134 31.534 31.700 -0.499 0.000 0.796 417 H N -1.802 117.245 119.070 -0.039 0.000 2.895 417 H HA 0.301 4.858 4.556 0.002 0.000 0.373 417 H C 0.237 175.550 175.328 -0.025 0.000 1.174 417 H CA -0.832 55.201 56.048 -0.024 0.000 1.144 417 H CB 1.620 31.371 29.762 -0.018 0.000 1.793 417 H HN -0.090 nan 8.280 nan 0.000 0.551 418 S N 1.126 116.886 115.700 0.100 0.000 2.580 418 S HA 0.173 4.644 4.470 0.002 0.000 0.266 418 S C 0.399 175.022 174.600 0.038 0.000 1.354 418 S CA -0.512 57.716 58.200 0.047 0.000 1.008 418 S CB 0.324 63.544 63.200 0.035 0.000 0.898 418 S HN 0.490 nan 8.310 nan 0.000 0.555 419 L N 1.762 122.991 121.223 0.009 0.000 2.679 419 L HA 0.319 4.660 4.340 0.002 0.000 0.238 419 L C -1.842 175.019 176.870 -0.016 0.000 1.330 419 L CA -1.390 53.446 54.840 -0.007 0.000 0.935 419 L CB 0.962 43.006 42.059 -0.025 0.000 1.243 419 L HN 0.567 nan 8.230 nan 0.000 0.484 420 P HA -0.096 nan 4.420 nan 0.000 0.221 420 P C 1.373 178.662 177.300 -0.019 0.000 1.150 420 P CA 0.899 63.991 63.100 -0.012 0.000 0.800 420 P CB 0.258 31.954 31.700 -0.007 0.000 0.787 421 K N -0.723 119.664 120.400 -0.021 0.000 2.354 421 K HA 0.183 4.504 4.320 0.002 0.000 0.194 421 K C 0.759 177.342 176.600 -0.029 0.000 1.038 421 K CA 0.058 56.331 56.287 -0.024 0.000 1.052 421 K CB -0.784 31.702 32.500 -0.023 0.000 0.861 421 K HN 0.073 nan 8.250 nan 0.000 0.535 422 L N 2.423 123.625 121.223 -0.034 0.000 2.312 422 L HA 0.315 4.656 4.340 0.002 0.000 0.287 422 L C -1.965 174.869 176.870 -0.061 0.000 1.091 422 L CA -2.165 52.652 54.840 -0.040 0.000 0.846 422 L CB 1.572 43.608 42.059 -0.039 0.000 1.219 422 L HN -0.010 nan 8.230 nan 0.000 0.439 423 P HA 0.046 nan 4.420 nan 0.000 0.258 423 P C -0.701 176.532 177.300 -0.112 0.000 1.403 423 P CA 0.328 63.384 63.100 -0.074 0.000 0.826 423 P CB 0.020 31.686 31.700 -0.057 0.000 1.414 424 V N -1.026 118.802 119.914 -0.144 0.000 3.040 424 V HA 0.688 4.809 4.120 0.002 0.000 0.312 424 V C 0.414 176.317 176.094 -0.318 0.000 1.115 424 V CA -1.584 60.582 62.300 -0.223 0.000 0.998 424 V CB 1.511 33.203 31.823 -0.219 0.000 1.042 424 V HN 0.067 nan 8.190 nan 0.000 0.433 425 A N 2.391 124.911 122.820 -0.500 0.000 2.386 425 A HA 0.620 4.941 4.320 0.002 0.000 0.246 425 A C 0.077 177.363 177.584 -0.497 0.000 1.089 425 A CA 0.253 51.852 52.037 -0.730 0.000 0.790 425 A CB -0.194 17.820 19.000 -1.644 0.000 1.042 425 A HN 1.356 nan 8.150 nan 0.000 0.497 426 N N -1.136 117.333 118.700 -0.385 0.000 2.324 426 N HA 0.610 5.351 4.740 0.002 0.000 0.285 426 N C -0.919 174.486 175.510 -0.176 0.000 1.076 426 N CA -0.014 52.877 53.050 -0.264 0.000 0.864 426 N CB 1.893 40.263 38.487 -0.196 0.000 1.632 426 N HN 0.770 nan 8.380 nan 0.000 0.478 427 A N 1.196 123.905 122.820 -0.184 0.000 2.320 427 A HA 0.842 5.163 4.320 0.002 0.000 0.334 427 A C -1.210 176.308 177.584 -0.111 0.000 1.147 427 A CA -0.687 51.290 52.037 -0.099 0.000 0.820 427 A CB 0.882 19.789 19.000 -0.155 0.000 1.218 427 A HN 0.738 nan 8.150 nan 0.000 0.482 428 L N 1.636 122.866 121.223 0.012 0.000 2.516 428 L HA 0.782 5.123 4.340 0.002 0.000 0.267 428 L C -1.514 175.428 176.870 0.119 0.000 0.957 428 L CA 0.064 54.835 54.840 -0.116 0.000 0.860 428 L CB 1.457 43.450 42.059 -0.109 0.000 1.265 428 L HN 0.940 nan 8.230 nan 0.000 0.403 429 W N 3.189 124.503 121.300 0.024 0.000 3.062 429 W HA 0.868 5.529 4.660 0.002 0.000 0.336 429 W C -1.222 175.302 176.519 0.008 0.000 1.224 429 W CA -0.795 56.579 57.345 0.048 0.000 1.159 429 W CB 0.748 30.277 29.460 0.115 0.000 1.454 429 W HN 0.653 nan 8.180 nan 0.000 0.569 430 K N 1.197 121.788 120.400 0.317 0.000 2.211 430 K HA 0.834 5.155 4.320 0.002 0.000 0.275 430 K C -0.350 176.425 176.600 0.291 0.000 1.024 430 K CA -0.322 56.085 56.287 0.199 0.000 0.887 430 K CB 0.760 33.322 32.500 0.103 0.000 1.084 430 K HN 1.242 nan 8.250 nan 0.000 0.463 431 A N 1.468 124.444 122.820 0.260 0.000 2.331 431 A HA 0.346 4.667 4.320 0.002 0.000 0.283 431 A C 1.098 178.730 177.584 0.080 0.000 1.142 431 A CA -0.218 51.933 52.037 0.189 0.000 0.812 431 A CB 0.788 19.892 19.000 0.173 0.000 1.074 431 A HN 0.942 nan 8.150 nan 0.000 0.497 432 Q N 1.669 121.499 119.800 0.049 0.000 2.123 432 Q HA -0.061 4.280 4.340 0.002 0.000 0.199 432 Q C -0.732 175.284 176.000 0.028 0.000 0.966 432 Q CA 1.532 57.356 55.803 0.035 0.000 0.845 432 Q CB -0.404 28.348 28.738 0.023 0.000 0.907 432 Q HN 0.702 nan 8.270 nan 0.000 0.439 433 P HA -0.042 nan 4.420 nan 0.000 0.212 433 P C -0.614 176.694 177.300 0.013 0.000 1.180 433 P CA 1.579 64.688 63.100 0.014 0.000 0.902 433 P CB 0.109 31.809 31.700 -0.001 0.000 0.778 434 D N -4.475 115.929 120.400 0.006 0.000 2.725 434 D HA 0.128 4.769 4.640 0.002 0.000 0.292 434 D C 0.378 176.671 176.300 -0.012 0.000 1.288 434 D CA -0.777 53.226 54.000 0.005 0.000 0.784 434 D CB -0.010 40.794 40.800 0.007 0.000 1.308 434 D HN -0.140 nan 8.370 nan 0.000 0.429 435 L N 0.137 121.342 121.223 -0.031 0.000 2.005 435 L HA 0.202 4.543 4.340 0.002 0.000 0.207 435 L C -1.104 175.720 176.870 -0.078 0.000 1.072 435 L CA 1.832 56.615 54.840 -0.094 0.000 0.744 435 L CB -1.469 40.472 42.059 -0.196 0.000 0.895 435 L HN 0.445 nan 8.230 nan 0.000 0.433 436 P HA -0.121 nan 4.420 nan 0.000 0.214 436 P C 1.604 178.892 177.300 -0.020 0.000 1.163 436 P CA 2.069 65.164 63.100 -0.007 0.000 0.883 436 P CB -0.208 31.498 31.700 0.011 0.000 0.788 437 T N -0.674 113.864 114.554 -0.027 0.000 2.788 437 T HA -0.109 4.242 4.350 0.002 0.000 0.268 437 T C 1.888 176.546 174.700 -0.070 0.000 1.044 437 T CA 1.598 63.667 62.100 -0.051 0.000 1.139 437 T CB -0.900 67.939 68.868 -0.048 0.000 0.867 437 T HN 0.055 nan 8.240 nan 0.000 0.454 438 A N 1.767 124.563 122.820 -0.039 0.000 1.930 438 A HA -0.067 4.254 4.320 0.002 0.000 0.217 438 A C 2.580 180.185 177.584 0.036 0.000 1.175 438 A CA 1.939 53.970 52.037 -0.010 0.000 0.627 438 A CB -0.719 18.286 19.000 0.008 0.000 0.815 438 A HN 0.596 nan 8.150 nan 0.000 0.443 439 S N -0.157 115.551 115.700 0.013 0.000 2.395 439 S HA -0.120 4.351 4.470 0.002 0.000 0.225 439 S C 1.651 176.325 174.600 0.123 0.000 1.027 439 S CA 1.227 59.467 58.200 0.066 0.000 0.965 439 S CB -0.420 62.784 63.200 0.008 0.000 0.812 439 S HN 0.627 nan 8.310 nan 0.000 0.482 440 E N 1.763 121.994 120.200 0.050 0.000 2.106 440 E HA 0.034 4.385 4.350 0.002 0.000 0.192 440 E C 2.340 178.947 176.600 0.011 0.000 0.984 440 E CA 1.018 57.441 56.400 0.038 0.000 0.806 440 E CB -0.374 29.325 29.700 -0.001 0.000 0.750 440 E HN 0.715 nan 8.360 nan 0.000 0.458 441 A N 1.174 123.931 122.820 -0.105 0.000 1.897 441 A HA -0.161 4.160 4.320 0.002 0.000 0.215 441 A C 1.904 179.507 177.584 0.031 0.000 1.181 441 A CA 0.780 52.603 52.037 -0.356 0.000 0.620 441 A CB -0.841 17.602 19.000 -0.928 0.000 0.821 441 A HN 0.517 nan 8.150 nan 0.000 0.443 442 W N 0.602 121.877 121.300 -0.042 0.000 2.363 442 W HA -0.143 4.518 4.660 0.002 0.000 0.296 442 W C 1.719 178.292 176.519 0.089 0.000 1.212 442 W CA 1.664 59.048 57.345 0.065 0.000 1.260 442 W CB -0.216 29.286 29.460 0.069 0.000 1.131 442 W HN 0.331 nan 8.180 nan 0.000 0.530 443 I N 0.336 121.109 120.570 0.338 0.000 2.193 443 I HA -0.339 3.832 4.170 0.002 0.000 0.240 443 I C 2.590 178.788 176.117 0.135 0.000 1.084 443 I CA 1.022 62.462 61.300 0.233 0.000 1.365 443 I CB -0.847 37.273 38.000 0.201 0.000 1.064 443 I HN -0.170 nan 8.210 nan 0.000 0.410 444 L N 0.699 122.000 121.223 0.130 0.000 2.043 444 L HA -0.215 4.126 4.340 0.002 0.000 0.212 444 L C 1.885 178.828 176.870 0.122 0.000 1.075 444 L CA 1.332 56.248 54.840 0.126 0.000 0.752 444 L CB -0.526 41.632 42.059 0.165 0.000 0.891 444 L HN 0.252 nan 8.230 nan 0.000 0.432 445 A N -0.095 122.813 122.820 0.147 0.000 2.988 445 A HA 0.492 4.813 4.320 0.002 0.000 0.288 445 A C 1.016 178.561 177.584 -0.065 0.000 1.385 445 A CA 0.367 52.455 52.037 0.084 0.000 1.001 445 A CB -0.991 18.144 19.000 0.225 0.000 1.071 445 A HN 0.486 nan 8.150 nan 0.000 0.608 446 G N -0.257 108.515 108.800 -0.047 0.000 2.598 446 G HA2 0.329 4.290 3.960 0.002 0.000 0.244 446 G HA3 0.329 4.290 3.960 0.002 0.000 0.244 446 G C 1.005 175.824 174.900 -0.136 0.000 1.302 446 G CA 0.023 45.076 45.100 -0.079 0.000 0.903 446 G HN 2.547 nan 8.290 nan 0.000 0.575 447 G N -1.496 107.221 108.800 -0.139 0.000 3.222 447 G HA2 0.442 4.403 3.960 0.002 0.000 0.685 447 G HA3 0.442 4.403 3.960 0.002 0.000 0.685 447 G C 0.406 175.260 174.900 -0.078 0.000 1.498 447 G CA 0.997 45.969 45.100 -0.213 0.000 1.195 447 G HN 2.606 nan 8.290 nan 0.000 0.602 448 A N 1.255 124.187 122.820 0.186 0.000 2.373 448 A HA 0.912 5.233 4.320 0.002 0.000 0.291 448 A C 1.078 178.956 177.584 0.489 0.000 1.171 448 A CA 0.623 52.866 52.037 0.343 0.000 0.922 448 A CB 0.592 19.656 19.000 0.107 0.000 1.400 448 A HN 2.066 nan 8.150 nan 0.000 0.474 449 H N -1.308 117.914 119.070 0.254 0.000 2.423 449 H HA 0.050 4.607 4.556 0.002 0.000 0.297 449 H C 0.489 175.976 175.328 0.266 0.000 1.075 449 H CA 1.486 57.649 56.048 0.192 0.000 1.342 449 H CB -0.503 29.305 29.762 0.078 0.000 1.395 449 H HN 0.669 nan 8.280 nan 0.000 0.530 450 H N 0.738 119.601 119.070 -0.345 0.000 2.525 450 H HA 0.368 4.925 4.556 0.002 0.000 0.339 450 H C 0.089 175.434 175.328 0.028 0.000 1.109 450 H CA -0.112 55.870 56.048 -0.110 0.000 1.352 450 H CB 1.200 30.925 29.762 -0.061 0.000 1.461 450 H HN 0.537 nan 8.280 nan 0.000 0.533 451 T N -0.822 113.807 114.554 0.124 0.000 2.816 451 T HA 0.414 4.764 4.350 0.002 0.000 0.299 451 T C -0.962 173.773 174.700 0.058 0.000 1.230 451 T CA -0.983 61.186 62.100 0.114 0.000 1.007 451 T CB 1.077 70.006 68.868 0.102 0.000 1.289 451 T HN 0.246 nan 8.240 nan 0.000 0.508 452 V N 2.135 122.077 119.914 0.048 0.000 2.347 452 V HA 0.557 4.678 4.120 0.002 0.000 0.280 452 V C -0.556 175.541 176.094 0.005 0.000 1.021 452 V CA -0.806 61.512 62.300 0.030 0.000 0.847 452 V CB 0.545 32.355 31.823 -0.023 0.000 0.990 452 V HN 0.850 nan 8.190 nan 0.000 0.444 453 F N 4.139 123.997 119.950 -0.154 0.000 2.379 453 F HA 0.727 5.255 4.527 0.002 0.000 0.332 453 F C 0.343 176.023 175.800 -0.200 0.000 1.096 453 F CA 0.292 58.149 58.000 -0.238 0.000 1.105 453 F CB 1.600 40.438 39.000 -0.270 0.000 1.189 453 F HN 0.489 nan 8.300 nan 0.000 0.515 454 S N 3.774 119.061 115.700 -0.688 0.000 2.562 454 S HA 0.289 4.760 4.470 0.002 0.000 0.274 454 S C -0.139 174.136 174.600 -0.542 0.000 1.160 454 S CA -0.665 57.277 58.200 -0.429 0.000 0.933 454 S CB 0.583 63.662 63.200 -0.202 0.000 1.100 454 S HN 0.792 nan 8.310 nan 0.000 0.468 455 H N 2.798 121.732 119.070 -0.227 0.000 2.482 455 H HA 0.256 4.813 4.556 0.002 0.000 0.286 455 H C 2.069 177.335 175.328 -0.102 0.000 1.017 455 H CA 1.478 57.438 56.048 -0.147 0.000 1.322 455 H CB -0.021 29.737 29.762 -0.007 0.000 1.426 455 H HN 0.652 nan 8.280 nan 0.000 0.546 456 A N 0.553 123.400 122.820 0.044 0.000 2.021 456 A HA 0.156 4.476 4.320 0.002 0.000 0.216 456 A C 1.012 178.586 177.584 -0.015 0.000 1.163 456 A CA 0.350 52.397 52.037 0.017 0.000 0.676 456 A CB -0.043 18.968 19.000 0.018 0.000 0.818 456 A HN 0.151 nan 8.150 nan 0.000 0.453 457 L N -0.125 121.071 121.223 -0.046 0.000 2.319 457 L HA 0.464 4.805 4.340 0.002 0.000 0.267 457 L C -0.287 176.546 176.870 -0.063 0.000 1.011 457 L CA -1.056 53.756 54.840 -0.048 0.000 0.818 457 L CB 1.837 43.859 42.059 -0.061 0.000 1.316 457 L HN 0.462 nan 8.230 nan 0.000 0.432 458 N N 0.068 118.745 118.700 -0.038 0.000 3.038 458 N HA 0.302 5.043 4.740 0.002 0.000 0.307 458 N C 0.105 175.606 175.510 -0.014 0.000 1.441 458 N CA -0.895 52.134 53.050 -0.035 0.000 0.772 458 N CB 0.445 38.922 38.487 -0.018 0.000 1.651 458 N HN 0.443 nan 8.380 nan 0.000 0.593 459 L N 0.042 121.264 121.223 -0.002 0.000 2.083 459 L HA 0.085 4.425 4.340 0.002 0.000 0.209 459 L C 1.556 178.454 176.870 0.047 0.000 1.083 459 L CA 1.861 56.715 54.840 0.023 0.000 0.752 459 L CB -1.372 40.705 42.059 0.030 0.000 0.899 459 L HN 0.826 nan 8.230 nan 0.000 0.433 460 N N -0.624 118.104 118.700 0.046 0.000 2.309 460 N HA -0.184 4.557 4.740 0.002 0.000 0.182 460 N C 1.434 176.991 175.510 0.079 0.000 1.018 460 N CA 1.424 54.512 53.050 0.064 0.000 0.876 460 N CB -0.104 38.416 38.487 0.056 0.000 0.972 460 N HN 0.421 nan 8.380 nan 0.000 0.434 461 D N -0.205 120.234 120.400 0.065 0.000 2.103 461 D HA -0.108 4.533 4.640 0.002 0.000 0.199 461 D C 1.772 178.144 176.300 0.119 0.000 0.978 461 D CA 0.860 54.908 54.000 0.079 0.000 0.829 461 D CB -0.152 40.674 40.800 0.042 0.000 0.981 461 D HN 0.299 nan 8.370 nan 0.000 0.464 462 M N 0.553 120.205 119.600 0.087 0.000 2.213 462 M HA -0.053 4.428 4.480 0.002 0.000 0.263 462 M C 2.087 178.510 176.300 0.204 0.000 1.062 462 M CA 0.967 56.341 55.300 0.123 0.000 1.105 462 M CB -0.793 31.833 32.600 0.042 0.000 1.385 462 M HN 0.002 nan 8.290 nan 0.000 0.417 463 R N -0.072 120.518 120.500 0.150 0.000 2.081 463 R HA -0.156 4.185 4.340 0.002 0.000 0.235 463 R C 2.202 178.602 176.300 0.166 0.000 1.131 463 R CA 1.403 57.592 56.100 0.148 0.000 0.960 463 R CB -0.230 30.139 30.300 0.114 0.000 0.856 463 R HN 0.558 nan 8.270 nan 0.000 0.436 464 Q N -0.585 119.317 119.800 0.169 0.000 2.079 464 Q HA -0.153 4.188 4.340 0.002 0.000 0.200 464 Q C 1.852 177.950 176.000 0.164 0.000 0.974 464 Q CA 1.356 57.256 55.803 0.162 0.000 0.840 464 Q CB -0.200 28.632 28.738 0.157 0.000 0.898 464 Q HN 0.261 nan 8.270 nan 0.000 0.430 465 F N 1.411 121.412 119.950 0.085 0.000 2.065 465 F HA -0.311 4.217 4.527 0.002 0.000 0.298 465 F C 2.170 178.090 175.800 0.199 0.000 1.112 465 F CA 1.715 59.796 58.000 0.135 0.000 1.212 465 F CB -0.325 38.747 39.000 0.121 0.000 0.975 465 F HN 0.032 nan 8.300 nan 0.000 0.476 466 A N -0.398 122.576 122.820 0.258 0.000 1.933 466 A HA -0.209 4.112 4.320 0.002 0.000 0.218 466 A C 2.075 179.701 177.584 0.071 0.000 1.175 466 A CA 1.858 53.985 52.037 0.150 0.000 0.628 466 A CB -0.936 18.179 19.000 0.192 0.000 0.814 466 A HN 0.580 nan 8.150 nan 0.000 0.444 467 E N -1.384 118.868 120.200 0.085 0.000 2.051 467 E HA -0.222 4.129 4.350 0.002 0.000 0.192 467 E C 1.956 178.558 176.600 0.004 0.000 0.991 467 E CA 1.606 58.053 56.400 0.079 0.000 0.799 467 E CB -0.214 29.549 29.700 0.105 0.000 0.748 467 E HN 0.533 nan 8.360 nan 0.000 0.449 468 M N -0.027 119.521 119.600 -0.087 0.000 2.144 468 M HA -0.169 4.312 4.480 0.002 0.000 0.260 468 M C 1.128 177.178 176.300 -0.416 0.000 1.067 468 M CA 1.715 56.861 55.300 -0.256 0.000 1.095 468 M CB 0.056 32.423 32.600 -0.389 0.000 1.365 468 M HN 0.137 nan 8.290 nan 0.000 0.406 469 H N -1.394 117.533 119.070 -0.238 0.000 2.542 469 H HA 0.140 4.697 4.556 0.002 0.000 0.283 469 H C -0.077 175.154 175.328 -0.161 0.000 1.059 469 H CA 0.226 56.121 56.048 -0.254 0.000 1.162 469 H CB -0.144 29.412 29.762 -0.344 0.000 1.539 469 H HN 0.263 nan 8.280 nan 0.000 0.543 470 D N 1.680 122.093 120.400 0.021 0.000 2.802 470 D HA -0.182 4.459 4.640 0.002 0.000 0.229 470 D C -0.275 176.076 176.300 0.085 0.000 1.203 470 D CA 0.494 54.560 54.000 0.110 0.000 0.712 470 D CB -1.546 39.315 40.800 0.101 0.000 0.973 470 D HN 0.637 nan 8.370 nan 0.000 0.407 471 I N -2.574 118.005 120.570 0.014 0.000 2.828 471 I HA 0.497 4.668 4.170 0.002 0.000 0.302 471 I C 0.280 176.194 176.117 -0.338 0.000 1.101 471 I CA -1.345 59.852 61.300 -0.173 0.000 1.031 471 I CB 1.815 39.821 38.000 0.011 0.000 1.231 471 I HN -0.044 nan 8.210 nan 0.000 0.427 472 E N 3.810 123.573 120.200 -0.729 0.000 2.465 472 E HA 0.141 4.492 4.350 0.002 0.000 0.260 472 E C -1.144 175.390 176.600 -0.110 0.000 0.980 472 E CA -0.096 56.026 56.400 -0.462 0.000 0.927 472 E CB 0.968 30.438 29.700 -0.383 0.000 0.934 472 E HN 0.642 nan 8.360 nan 0.000 0.459 473 I N 4.223 124.794 120.570 0.001 0.000 2.339 473 I HA 0.193 4.364 4.170 0.002 0.000 0.290 473 I C -0.808 175.323 176.117 0.024 0.000 0.994 473 I CA -0.324 61.001 61.300 0.041 0.000 1.191 473 I CB 1.447 39.503 38.000 0.093 0.000 1.343 473 I HN 0.399 nan 8.210 nan 0.000 0.458 474 T N 7.339 121.896 114.554 0.005 0.000 2.753 474 T HA 0.292 4.643 4.350 0.002 0.000 0.297 474 T C -0.613 174.154 174.700 0.111 0.000 0.981 474 T CA -0.239 61.862 62.100 0.002 0.000 0.956 474 T CB 1.149 69.992 68.868 -0.042 0.000 0.936 474 T HN 0.387 nan 8.240 nan 0.000 0.463 475 V N 6.184 126.197 119.914 0.165 0.000 2.483 475 V HA 0.680 4.801 4.120 0.002 0.000 0.295 475 V C -0.853 175.420 176.094 0.298 0.000 1.035 475 V CA -0.806 61.610 62.300 0.194 0.000 0.896 475 V CB 0.914 32.820 31.823 0.138 0.000 0.986 475 V HN 0.851 nan 8.190 nan 0.000 0.447 476 I N 7.589 128.296 120.570 0.229 0.000 2.466 476 I HA 0.525 4.696 4.170 0.002 0.000 0.279 476 I C -1.018 175.165 176.117 0.110 0.000 1.033 476 I CA -0.323 61.083 61.300 0.176 0.000 1.123 476 I CB 1.360 39.480 38.000 0.200 0.000 1.237 476 I HN 0.875 nan 8.210 nan 0.000 0.460 477 D N 2.871 123.322 120.400 0.085 0.000 2.812 477 D HA 0.149 4.790 4.640 0.002 0.000 0.318 477 D C 0.134 176.462 176.300 0.046 0.000 1.234 477 D CA -0.719 53.315 54.000 0.058 0.000 0.989 477 D CB 0.454 41.288 40.800 0.057 0.000 1.442 477 D HN 0.226 nan 8.370 nan 0.000 0.537 478 N N -0.913 117.809 118.700 0.038 0.000 2.334 478 N HA -0.129 4.612 4.740 0.002 0.000 0.187 478 N C 0.139 175.672 175.510 0.038 0.000 1.016 478 N CA 1.230 54.300 53.050 0.033 0.000 0.879 478 N CB 0.010 38.515 38.487 0.029 0.000 0.965 478 N HN 0.312 nan 8.380 nan 0.000 0.438 479 D N -0.601 119.829 120.400 0.049 0.000 2.339 479 D HA 0.021 4.662 4.640 0.002 0.000 0.217 479 D C -0.114 176.228 176.300 0.070 0.000 1.050 479 D CA 0.430 54.464 54.000 0.056 0.000 0.856 479 D CB 0.060 40.897 40.800 0.061 0.000 0.922 479 D HN 0.042 nan 8.370 nan 0.000 0.518 480 T N 1.516 116.111 114.554 0.069 0.000 2.834 480 T HA 0.281 4.632 4.350 0.002 0.000 0.298 480 T C 0.512 175.241 174.700 0.048 0.000 0.966 480 T CA 0.036 62.185 62.100 0.082 0.000 1.141 480 T CB 0.867 69.762 68.868 0.045 0.000 0.905 480 T HN -0.063 nan 8.240 nan 0.000 0.535 481 R N 2.829 123.375 120.500 0.077 0.000 2.561 481 R HA 0.372 4.713 4.340 0.002 0.000 0.297 481 R C 0.579 176.928 176.300 0.082 0.000 0.969 481 R CA -0.839 55.294 56.100 0.054 0.000 0.879 481 R CB 1.541 31.874 30.300 0.055 0.000 1.178 481 R HN 0.419 nan 8.270 nan 0.000 0.445 482 L N 3.770 125.018 121.223 0.041 0.000 2.042 482 L HA -0.114 4.227 4.340 0.002 0.000 0.210 482 L C -0.919 176.017 176.870 0.110 0.000 1.076 482 L CA 1.937 56.815 54.840 0.063 0.000 0.749 482 L CB -0.610 41.456 42.059 0.011 0.000 0.893 482 L HN 0.559 nan 8.230 nan 0.000 0.432 483 P HA -0.182 nan 4.420 nan 0.000 0.215 483 P C 1.375 178.678 177.300 0.005 0.000 1.157 483 P CA 1.882 65.001 63.100 0.031 0.000 0.868 483 P CB -0.048 31.667 31.700 0.026 0.000 0.788 484 A N -1.594 121.249 122.820 0.037 0.000 1.929 484 A HA -0.128 4.193 4.320 0.002 0.000 0.216 484 A C 2.086 179.670 177.584 -0.000 0.000 1.176 484 A CA 0.884 52.925 52.037 0.007 0.000 0.628 484 A CB -1.755 17.283 19.000 0.063 0.000 0.816 484 A HN 0.124 nan 8.150 nan 0.000 0.444 485 F N 0.934 120.851 119.950 -0.054 0.000 2.095 485 F HA -0.188 4.340 4.527 0.002 0.000 0.298 485 F C 2.162 177.906 175.800 -0.094 0.000 1.104 485 F CA 2.245 60.218 58.000 -0.046 0.000 1.232 485 F CB -0.085 38.907 39.000 -0.013 0.000 0.987 485 F HN 0.109 nan 8.300 nan 0.000 0.475 486 K N -0.107 120.322 120.400 0.048 0.000 2.057 486 K HA -0.175 4.146 4.320 0.002 0.000 0.206 486 K C 1.760 178.176 176.600 -0.306 0.000 1.050 486 K CA 1.561 57.798 56.287 -0.084 0.000 0.935 486 K CB -0.370 32.122 32.500 -0.014 0.000 0.715 486 K HN 0.217 nan 8.250 nan 0.000 0.439 487 D N 0.735 120.875 120.400 -0.434 0.000 2.133 487 D HA -0.169 4.472 4.640 0.002 0.000 0.195 487 D C 1.800 177.475 176.300 -1.042 0.000 0.997 487 D CA 1.471 54.904 54.000 -0.945 0.000 0.840 487 D CB -0.204 39.926 40.800 -1.116 0.000 0.947 487 D HN 0.223 nan 8.370 nan 0.000 0.452 488 A N 0.442 122.927 122.820 -0.557 0.000 1.902 488 A HA -0.124 4.197 4.320 0.002 0.000 0.217 488 A C 2.421 179.868 177.584 -0.227 0.000 1.181 488 A CA 0.913 52.791 52.037 -0.264 0.000 0.623 488 A CB -0.786 18.100 19.000 -0.191 0.000 0.818 488 A HN 0.224 nan 8.150 nan 0.000 0.443 489 L N -1.258 119.766 121.223 -0.332 0.000 1.990 489 L HA -0.277 4.064 4.340 0.002 0.000 0.213 489 L C 2.881 179.671 176.870 -0.134 0.000 1.072 489 L CA 1.966 56.668 54.840 -0.230 0.000 0.755 489 L CB -0.525 41.387 42.059 -0.245 0.000 0.889 489 L HN 0.309 nan 8.230 nan 0.000 0.432 490 R N -0.779 119.590 120.500 -0.218 0.000 2.082 490 R HA -0.192 4.149 4.340 0.002 0.000 0.234 490 R C 2.094 178.426 176.300 0.054 0.000 1.136 490 R CA 2.042 58.060 56.100 -0.136 0.000 0.935 490 R CB -0.454 29.687 30.300 -0.265 0.000 0.842 490 R HN 0.348 nan 8.270 nan 0.000 0.430 491 W N 0.773 122.079 121.300 0.010 0.000 2.402 491 W HA -0.012 4.649 4.660 0.002 0.000 0.286 491 W C 1.594 178.147 176.519 0.056 0.000 1.221 491 W CA 0.439 57.798 57.345 0.024 0.000 1.257 491 W CB -1.032 28.430 29.460 0.005 0.000 1.120 491 W HN 0.160 nan 8.180 nan 0.000 0.551 492 N N 0.527 119.387 118.700 0.266 0.000 2.309 492 N HA -0.158 4.582 4.740 0.002 0.000 0.182 492 N C 1.581 177.274 175.510 0.305 0.000 1.018 492 N CA 1.612 54.845 53.050 0.304 0.000 0.876 492 N CB -0.509 38.161 38.487 0.306 0.000 0.972 492 N HN 0.211 nan 8.380 nan 0.000 0.434 493 E N 0.509 120.810 120.200 0.169 0.000 2.051 493 E HA -0.070 4.281 4.350 0.002 0.000 0.192 493 E C 1.643 178.266 176.600 0.039 0.000 0.991 493 E CA 0.944 57.399 56.400 0.092 0.000 0.799 493 E CB -0.148 29.570 29.700 0.028 0.000 0.748 493 E HN 0.039 nan 8.360 nan 0.000 0.449 494 V N 0.385 120.338 119.914 0.064 0.000 2.453 494 V HA -0.184 3.937 4.120 0.002 0.000 0.247 494 V C 2.025 178.116 176.094 -0.005 0.000 1.048 494 V CA 1.810 64.102 62.300 -0.013 0.000 1.049 494 V CB -0.762 31.121 31.823 0.099 0.000 0.672 494 V HN 0.383 nan 8.190 nan 0.000 0.457 495 Y N 0.886 121.179 120.300 -0.011 0.000 2.036 495 Y HA -0.284 4.267 4.550 0.002 0.000 0.273 495 Y C 2.295 178.117 175.900 -0.131 0.000 1.135 495 Y CA 1.802 59.851 58.100 -0.085 0.000 1.106 495 Y CB -0.760 37.545 38.460 -0.258 0.000 0.976 495 Y HN 0.317 nan 8.280 nan 0.000 0.483 496 Y N 0.414 120.656 120.300 -0.097 0.000 2.680 496 Y HA 0.043 4.594 4.550 0.002 0.000 0.303 496 Y C 2.441 178.217 175.900 -0.207 0.000 1.166 496 Y CA 0.718 58.709 58.100 -0.182 0.000 1.344 496 Y CB -0.922 37.545 38.460 0.012 0.000 1.002 496 Y HN 0.289 nan 8.280 nan 0.000 0.537 497 G N -1.011 107.673 108.800 -0.193 0.000 2.534 497 G HA2 -0.043 3.918 3.960 0.002 0.000 0.217 497 G HA3 -0.043 3.918 3.960 0.002 0.000 0.217 497 G C 0.257 174.827 174.900 -0.550 0.000 1.128 497 G CA 0.183 45.051 45.100 -0.387 0.000 0.784 497 G HN 0.225 nan 8.290 nan 0.000 0.542 498 F N 0.000 119.876 119.950 -0.124 0.000 2.286 498 F HA 0.000 4.528 4.527 0.002 0.000 0.279 498 F CA 0.000 57.926 58.000 -0.124 0.000 1.383 498 F CB 0.000 38.919 39.000 -0.135 0.000 1.145 498 F HN 0.000 nan 8.300 nan 0.000 0.574