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 3ehm_1_B DATA FIRST_RESID 20 DATA SEQUENCE PLKYGARFXN XQQRVIPIGS PSLTTGPGND LQNTDLISSG NYIGYFGNNN DATA SEQUENCE NWGFNNEANW NFTDSRXNYA YQNFYSQIFL PWNEIYEIAK DSDSPSEQAI DATA SEQUENCE LEIANIVRNI AWLRATDVFG PIAYNSAGDG SIAPKFDSQE VVYRSXLADL DATA SEQUENCE SKSVELLNTI SYSVXAQYDL IYNGNVQNWV KLANSLXLRI VVRVHFIDET DATA SEQUENCE LAKEYITKAL DPKNGGVIED ISSEAKIKSS DKXPLLNSXL ASVNEYNETR DATA SEQUENCE XGATIWGYLD GYKDPRLSAY FTEGTYGSGS WAQTGYFPVA PTNSKSKSET DATA SEQUENCE SYSAKFASRP KVDSNSPLYW FRASETYFLK AEAALYNLIG GDPKTFYEQG DATA SEQUENCE INISFQEQGV SGVATYLSGT GKPTGLTGSN YKYGTYNHDL SIGNTSPKWD DATA SEQUENCE DYTGNLSKQE EQLQKIITQK YLALYPNAVE AWTEYRRTGF PYLXKPXDEA DATA SEQUENCE APGRIGASIE DCRVPERFRF APTAYNSNPN XAEIPTLLGG GDIGATKLWW DATA SEQUENCE VRSNRPKQPN 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 20 P HA 0.000 nan 4.420 nan 0.000 0.216 20 P C 0.000 177.367 177.300 0.111 0.000 1.155 20 P CA 0.000 63.242 63.100 0.238 0.000 0.800 20 P CB 0.000 31.837 31.700 0.228 0.000 0.726 21 L N 1.685 122.946 121.223 0.063 0.000 2.043 21 L HA -0.165 4.176 4.340 0.001 0.000 0.212 21 L C 2.368 179.147 176.870 -0.152 0.000 1.075 21 L CA 2.354 57.194 54.840 0.000 0.000 0.752 21 L CB -0.180 41.891 42.059 0.020 0.000 0.891 21 L HN 0.270 nan 8.230 nan 0.000 0.432 22 K N -1.506 118.748 120.400 -0.242 0.000 2.439 22 K HA -0.151 4.170 4.320 0.001 0.000 0.197 22 K C 1.334 177.661 176.600 -0.455 0.000 1.041 22 K CA 1.205 57.265 56.287 -0.378 0.000 0.970 22 K CB -0.159 32.039 32.500 -0.504 0.000 0.773 22 K HN 0.334 nan 8.250 nan 0.000 0.479 23 Y N 0.801 120.983 120.300 -0.197 0.000 2.507 23 Y HA 0.226 4.777 4.550 0.001 0.000 0.263 23 Y C 2.644 178.373 175.900 -0.286 0.000 1.093 23 Y CA -0.094 57.881 58.100 -0.209 0.000 1.285 23 Y CB 0.071 38.409 38.460 -0.203 0.000 1.115 23 Y HN 0.151 nan 8.280 nan 0.000 0.533 24 G N 1.052 109.574 108.800 -0.464 0.000 2.631 24 G HA2 -0.396 3.565 3.960 0.001 0.000 0.219 24 G HA3 -0.396 3.565 3.960 0.001 0.000 0.219 24 G C 1.923 176.536 174.900 -0.478 0.000 1.214 24 G CA 1.612 45.999 45.100 -1.187 0.000 0.785 24 G HN 0.437 nan 8.290 nan 0.000 0.596 25 A N 0.488 123.134 122.820 -0.291 0.000 1.908 25 A HA -0.074 4.247 4.320 0.001 0.000 0.218 25 A C 2.489 180.061 177.584 -0.020 0.000 1.181 25 A CA 2.032 54.020 52.037 -0.081 0.000 0.627 25 A CB -0.447 18.520 19.000 -0.055 0.000 0.818 25 A HN 0.398 nan 8.150 nan 0.000 0.445 26 R N -2.089 118.401 120.500 -0.016 0.000 2.081 26 R HA -0.002 4.339 4.340 0.001 0.000 0.235 26 R C 1.018 177.378 176.300 0.101 0.000 1.131 26 R CA 0.907 57.025 56.100 0.031 0.000 0.960 26 R CB -0.392 29.921 30.300 0.022 0.000 0.856 26 R HN 0.513 nan 8.270 nan 0.000 0.436 32 Q N 0.587 120.427 119.800 0.067 0.000 2.435 32 Q HA 0.109 4.449 4.340 0.001 0.000 0.207 32 Q C 1.476 177.508 176.000 0.052 0.000 0.956 32 Q CA 0.522 56.361 55.803 0.060 0.000 0.917 32 Q CB 0.381 29.131 28.738 0.020 0.000 0.997 32 Q HN 0.077 nan 8.270 nan 0.000 0.497 33 R N -0.315 120.207 120.500 0.036 0.000 2.189 33 R HA 0.053 4.393 4.340 0.001 0.000 0.203 33 R C 2.132 178.412 176.300 -0.033 0.000 1.012 33 R CA 0.366 56.465 56.100 -0.001 0.000 1.015 33 R CB -0.353 29.945 30.300 -0.003 0.000 0.938 33 R HN 0.105 nan 8.270 nan 0.000 0.472 34 V N 1.664 121.542 119.914 -0.059 0.000 2.250 34 V HA -0.180 3.941 4.120 0.001 0.000 0.250 34 V C 1.400 177.421 176.094 -0.121 0.000 1.060 34 V CA 1.593 63.767 62.300 -0.210 0.000 1.030 34 V CB -0.222 31.208 31.823 -0.656 0.000 0.643 34 V HN 0.161 nan 8.190 nan 0.000 0.445 35 I N 0.424 120.992 120.570 -0.004 0.000 2.468 35 I HA 0.331 4.502 4.170 0.001 0.000 0.284 35 I C -2.728 173.401 176.117 0.020 0.000 1.038 35 I CA -2.028 59.282 61.300 0.018 0.000 1.083 35 I CB 2.000 40.068 38.000 0.114 0.000 1.223 35 I HN 0.081 nan 8.210 nan 0.000 0.443 36 P HA 0.051 nan 4.420 nan 0.000 0.255 36 P C -0.671 176.618 177.300 -0.018 0.000 1.151 36 P CA 0.880 63.953 63.100 -0.045 0.000 0.767 36 P CB 0.349 31.992 31.700 -0.094 0.000 0.736 37 I N 2.077 122.644 120.570 -0.005 0.000 2.800 37 I HA 0.684 4.855 4.170 0.001 0.000 0.294 37 I C -0.619 175.495 176.117 -0.005 0.000 1.538 37 I CA -0.349 60.945 61.300 -0.011 0.000 1.010 37 I CB 1.974 39.964 38.000 -0.016 0.000 1.381 37 I HN 0.522 nan 8.210 nan 0.000 0.462 38 G N 2.492 111.286 108.800 -0.010 0.000 2.663 38 G HA2 0.423 4.383 3.960 0.001 0.000 0.299 38 G HA3 0.423 4.383 3.960 0.001 0.000 0.299 38 G C -1.380 173.515 174.900 -0.009 0.000 1.372 38 G CA -0.322 44.775 45.100 -0.004 0.000 0.781 38 G HN 0.663 nan 8.290 nan 0.000 0.491 39 S N -0.254 115.445 115.700 -0.002 0.000 2.563 39 S HA 0.223 4.694 4.470 0.001 0.000 0.284 39 S C -0.991 173.605 174.600 -0.006 0.000 1.331 39 S CA -0.290 57.908 58.200 -0.003 0.000 1.047 39 S CB 1.028 64.231 63.200 0.005 0.000 0.859 39 S HN 0.211 nan 8.310 nan 0.000 0.514 40 P HA -0.040 nan 4.420 nan 0.000 0.219 40 P C 1.298 178.594 177.300 -0.006 0.000 1.146 40 P CA 0.991 64.083 63.100 -0.013 0.000 0.808 40 P CB -0.003 31.688 31.700 -0.015 0.000 0.779 41 S N -0.690 115.010 115.700 -0.001 0.000 2.442 41 S HA -0.064 4.407 4.470 0.001 0.000 0.236 41 S C 1.450 176.056 174.600 0.009 0.000 1.007 41 S CA 0.914 59.117 58.200 0.005 0.000 0.965 41 S CB -0.826 62.378 63.200 0.008 0.000 0.773 41 S HN 0.212 nan 8.310 nan 0.000 0.504 42 L N 1.940 123.169 121.223 0.010 0.000 2.611 42 L HA 0.084 4.425 4.340 0.001 0.000 0.229 42 L C 1.620 178.501 176.870 0.017 0.000 1.137 42 L CA 0.312 55.162 54.840 0.018 0.000 0.901 42 L CB -1.291 40.781 42.059 0.022 0.000 1.098 42 L HN 0.486 nan 8.230 nan 0.000 0.456 43 T N -2.543 112.014 114.554 0.006 0.000 13.588 43 T HA -0.464 3.887 4.350 0.001 0.000 0.411 43 T C 1.297 175.993 174.700 -0.008 0.000 1.448 43 T CA 2.222 64.320 62.100 -0.004 0.000 2.302 43 T CB -1.444 67.427 68.868 0.005 0.000 2.729 43 T HN 0.403 nan 8.240 nan 0.000 0.423 44 T N -0.026 114.530 114.554 0.004 0.000 3.148 44 T HA 0.418 4.769 4.350 0.001 0.000 0.253 44 T C 2.179 176.923 174.700 0.074 0.000 1.134 44 T CA 1.259 63.366 62.100 0.012 0.000 1.051 44 T CB -0.938 67.958 68.868 0.047 0.000 0.959 44 T HN 1.160 nan 8.240 nan 0.000 0.525 45 G N 2.987 111.828 108.800 0.069 0.000 2.628 45 G HA2 -0.171 3.789 3.960 0.001 0.000 0.217 45 G HA3 -0.171 3.789 3.960 0.001 0.000 0.217 45 G C -0.574 174.379 174.900 0.088 0.000 1.240 45 G CA 0.944 46.096 45.100 0.087 0.000 0.792 45 G HN 0.452 nan 8.290 nan 0.000 0.593 46 P HA -0.031 nan 4.420 nan 0.000 0.218 46 P C 2.033 179.348 177.300 0.026 0.000 1.148 46 P CA 1.677 64.795 63.100 0.029 0.000 0.822 46 P CB -0.425 31.279 31.700 0.007 0.000 0.784 47 G N -0.459 108.359 108.800 0.030 0.000 2.422 47 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 47 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 47 G C 1.537 176.498 174.900 0.101 0.000 1.146 47 G CA 0.606 45.723 45.100 0.028 0.000 0.769 47 G HN 0.223 nan 8.290 nan 0.000 0.547 48 N N 1.290 120.092 118.700 0.171 0.000 2.142 48 N HA -0.060 4.680 4.740 0.001 0.000 0.186 48 N C 1.708 177.341 175.510 0.205 0.000 1.023 48 N CA 1.244 54.436 53.050 0.237 0.000 0.852 48 N CB -0.298 38.344 38.487 0.258 0.000 0.998 48 N HN 0.213 nan 8.380 nan 0.000 0.424 49 D N 0.531 121.006 120.400 0.125 0.000 2.117 49 D HA -0.102 4.539 4.640 0.001 0.000 0.197 49 D C 2.002 178.217 176.300 -0.142 0.000 0.987 49 D CA 0.395 54.343 54.000 -0.086 0.000 0.829 49 D CB -0.398 40.344 40.800 -0.096 0.000 0.961 49 D HN 0.111 nan 8.370 nan 0.000 0.460 50 L N 0.876 122.056 121.223 -0.071 0.000 2.131 50 L HA -0.150 4.190 4.340 0.001 0.000 0.210 50 L C 2.136 178.963 176.870 -0.071 0.000 1.092 50 L CA 1.577 56.367 54.840 -0.083 0.000 0.759 50 L CB -0.413 41.611 42.059 -0.059 0.000 0.903 50 L HN -0.007 nan 8.230 nan 0.000 0.435 51 Q N -0.681 119.101 119.800 -0.029 0.000 2.061 51 Q HA -0.274 4.067 4.340 0.001 0.000 0.204 51 Q C 2.137 178.102 176.000 -0.058 0.000 0.984 51 Q CA 1.960 57.745 55.803 -0.030 0.000 0.846 51 Q CB -0.394 28.361 28.738 0.028 0.000 0.902 51 Q HN 0.689 nan 8.270 nan 0.000 0.421 52 N N -0.464 118.206 118.700 -0.051 0.000 2.120 52 N HA -0.161 4.579 4.740 0.001 0.000 0.188 52 N C 1.759 177.270 175.510 0.001 0.000 1.024 52 N CA 1.892 54.913 53.050 -0.048 0.000 0.852 52 N CB 0.142 38.503 38.487 -0.209 0.000 1.003 52 N HN 0.327 nan 8.380 nan 0.000 0.424 53 T N -3.408 111.071 114.554 -0.124 0.000 2.983 53 T HA 0.093 4.444 4.350 0.001 0.000 0.250 53 T C 0.935 175.672 174.700 0.061 0.000 1.037 53 T CA 0.913 62.949 62.100 -0.107 0.000 1.142 53 T CB 0.090 68.621 68.868 -0.561 0.000 0.876 53 T HN 0.036 nan 8.240 nan 0.000 0.455 54 D N 0.386 120.787 120.400 0.002 0.000 2.766 54 D HA 0.357 4.997 4.640 0.001 0.000 0.284 54 D C 2.082 178.436 176.300 0.090 0.000 1.050 54 D CA 0.098 54.139 54.000 0.068 0.000 0.945 54 D CB 0.083 40.941 40.800 0.095 0.000 1.272 54 D HN 0.220 nan 8.370 nan 0.000 0.482 55 L N 1.067 122.273 121.223 -0.029 0.000 1.988 55 L HA 0.028 4.368 4.340 0.001 0.000 0.207 55 L C 2.331 179.190 176.870 -0.017 0.000 1.071 55 L CA 1.118 55.874 54.840 -0.139 0.000 0.744 55 L CB -0.635 41.267 42.059 -0.261 0.000 0.893 55 L HN 0.114 nan 8.230 nan 0.000 0.433 56 I N -3.054 117.479 120.570 -0.061 0.000 3.728 56 I HA 0.060 4.231 4.170 0.001 0.000 0.307 56 I C 1.930 177.943 176.117 -0.172 0.000 1.276 56 I CA 0.369 61.633 61.300 -0.060 0.000 1.285 56 I CB 0.096 37.959 38.000 -0.228 0.000 1.038 56 I HN 0.250 nan 8.210 nan 0.000 0.445 57 S N 1.464 116.985 115.700 -0.300 0.000 3.096 57 S HA 0.104 4.575 4.470 0.001 0.000 0.169 57 S C 1.944 175.668 174.600 -1.460 0.000 0.736 57 S CA 0.521 58.283 58.200 -0.731 0.000 0.976 57 S CB -0.648 62.450 63.200 -0.171 0.000 0.705 57 S HN 0.490 nan 8.310 nan 0.000 0.666 58 S N 2.127 117.192 115.700 -1.058 0.000 2.378 58 S HA -0.091 4.380 4.470 0.001 0.000 0.229 58 S C 2.158 176.434 174.600 -0.540 0.000 1.052 58 S CA 1.701 59.321 58.200 -0.966 0.000 1.084 58 S CB -2.002 61.002 63.200 -0.327 0.000 0.950 58 S HN 0.988 nan 8.310 nan 0.000 0.440 59 G N 2.242 110.935 108.800 -0.177 0.000 2.432 59 G HA2 -0.268 3.693 3.960 0.001 0.000 0.219 59 G HA3 -0.268 3.693 3.960 0.001 0.000 0.219 59 G C 1.419 176.363 174.900 0.073 0.000 1.135 59 G CA 1.080 46.218 45.100 0.063 0.000 0.767 59 G HN 0.686 nan 8.290 nan 0.000 0.550 60 N N -0.120 118.574 118.700 -0.010 0.000 2.135 60 N HA -0.089 4.651 4.740 0.001 0.000 0.186 60 N C 1.959 177.528 175.510 0.098 0.000 1.027 60 N CA 1.233 54.330 53.050 0.078 0.000 0.849 60 N CB -0.528 37.993 38.487 0.056 0.000 1.002 60 N HN 0.547 nan 8.380 nan 0.000 0.425 61 Y N 0.814 121.081 120.300 -0.055 0.000 2.114 61 Y HA -0.163 4.388 4.550 0.001 0.000 0.282 61 Y C 2.113 177.962 175.900 -0.085 0.000 1.165 61 Y CA 1.025 59.062 58.100 -0.104 0.000 1.148 61 Y CB -0.406 37.779 38.460 -0.458 0.000 0.972 61 Y HN 0.191 nan 8.280 nan 0.000 0.504 62 I N -2.409 118.171 120.570 0.017 0.000 3.684 62 I HA 0.384 4.554 4.170 0.001 0.000 0.304 62 I C 1.428 177.627 176.117 0.137 0.000 1.278 62 I CA 0.814 62.124 61.300 0.015 0.000 1.272 62 I CB -0.228 37.771 38.000 -0.001 0.000 1.029 62 I HN 0.262 nan 8.210 nan 0.000 0.458 63 G N 0.919 109.804 108.800 0.141 0.000 2.141 63 G HA2 -0.324 3.637 3.960 0.001 0.000 0.242 63 G HA3 -0.324 3.637 3.960 0.001 0.000 0.242 63 G C 0.547 175.622 174.900 0.292 0.000 0.982 63 G CA 0.480 45.714 45.100 0.225 0.000 0.662 63 G HN 0.613 nan 8.290 nan 0.000 0.527 64 Y N -0.997 119.276 120.300 -0.045 0.000 2.242 64 Y HA 0.233 4.783 4.550 0.001 0.000 0.291 64 Y C 1.421 177.080 175.900 -0.401 0.000 1.137 64 Y CA 0.812 58.717 58.100 -0.325 0.000 1.181 64 Y CB 0.104 38.088 38.460 -0.793 0.000 0.989 64 Y HN 0.327 nan 8.280 nan 0.000 0.527 65 F N -1.347 118.825 119.950 0.371 0.000 2.631 65 F HA 0.653 5.181 4.527 0.001 0.000 0.328 65 F C 0.368 176.268 175.800 0.166 0.000 1.067 65 F CA -1.159 56.991 58.000 0.250 0.000 0.969 65 F CB 1.576 40.715 39.000 0.231 0.000 1.332 65 F HN -0.338 nan 8.300 nan 0.000 0.490 66 G N 0.413 109.423 108.800 0.350 0.000 2.638 66 G HA2 0.431 4.391 3.960 0.001 0.000 0.302 66 G HA3 0.431 4.391 3.960 0.001 0.000 0.302 66 G C -1.844 173.174 174.900 0.197 0.000 1.365 66 G CA -0.862 44.369 45.100 0.218 0.000 0.987 66 G HN 0.436 nan 8.290 nan 0.000 0.495 67 N N 1.044 119.860 118.700 0.193 0.000 2.455 67 N HA 0.126 4.867 4.740 0.001 0.000 0.280 67 N C -0.302 175.221 175.510 0.022 0.000 1.055 67 N CA -0.538 52.623 53.050 0.185 0.000 0.961 67 N CB 1.910 40.626 38.487 0.381 0.000 1.121 67 N HN 0.562 nan 8.380 nan 0.000 0.476 68 N N 2.262 120.921 118.700 -0.070 0.000 3.250 68 N HA 0.110 4.850 4.740 0.001 0.000 0.307 68 N C -1.134 174.193 175.510 -0.304 0.000 1.355 68 N CA -0.100 52.847 53.050 -0.171 0.000 1.192 68 N CB -0.673 37.708 38.487 -0.177 0.000 1.478 68 N HN 0.690 nan 8.380 nan 0.000 0.543 69 N N -0.295 118.177 118.700 -0.381 0.000 4.310 69 N HA -0.011 4.730 4.740 0.001 0.000 0.212 69 N C -1.085 174.097 175.510 -0.547 0.000 1.277 69 N CA -0.392 52.236 53.050 -0.702 0.000 0.854 69 N CB 0.234 37.866 38.487 -1.425 0.000 1.480 69 N HN 0.226 nan 8.380 nan 0.000 0.489 70 N N 0.355 118.765 118.700 -0.484 0.000 2.143 70 N HA 0.121 4.861 4.740 0.001 0.000 0.222 70 N C -0.459 175.061 175.510 0.016 0.000 1.264 70 N CA -0.140 52.816 53.050 -0.158 0.000 0.897 70 N CB 0.114 38.329 38.487 -0.453 0.000 1.092 70 N HN 0.699 nan 8.380 nan 0.000 0.516 71 W N 1.493 122.688 121.300 -0.175 0.000 5.692 71 W HA -0.210 4.451 4.660 0.001 0.000 0.371 71 W C 1.138 177.557 176.519 -0.167 0.000 1.354 71 W CA 0.876 58.145 57.345 -0.128 0.000 0.955 71 W CB -2.039 27.392 29.460 -0.048 0.000 2.465 71 W HN 0.573 nan 8.180 nan 0.000 1.554 72 G N -0.613 108.059 108.800 -0.213 0.000 2.203 72 G HA2 -0.240 3.720 3.960 0.001 0.000 0.263 72 G HA3 -0.240 3.720 3.960 0.001 0.000 0.263 72 G C 0.263 175.094 174.900 -0.114 0.000 1.012 72 G CA 0.216 45.169 45.100 -0.245 0.000 0.749 72 G HN 0.700 nan 8.290 nan 0.000 0.512 73 F N -2.156 117.890 119.950 0.160 0.000 3.074 73 F HA -0.208 4.320 4.527 0.001 0.000 0.289 73 F C 1.081 176.957 175.800 0.127 0.000 0.863 73 F CA 1.127 59.209 58.000 0.137 0.000 1.121 73 F CB -2.243 36.802 39.000 0.074 0.000 1.169 73 F HN 0.399 nan 8.300 nan 0.000 0.570 74 N N 0.217 119.065 118.700 0.247 0.000 2.230 74 N HA 0.143 4.883 4.740 0.001 0.000 0.202 74 N C 0.305 175.903 175.510 0.147 0.000 1.119 74 N CA 0.310 53.468 53.050 0.180 0.000 0.851 74 N CB 0.314 38.884 38.487 0.138 0.000 0.990 74 N HN 0.621 nan 8.380 nan 0.000 0.497 75 N N -1.141 117.655 118.700 0.161 0.000 3.204 75 N HA 0.041 4.782 4.740 0.001 0.000 0.285 75 N C 0.559 176.173 175.510 0.174 0.000 1.536 75 N CA -0.676 52.429 53.050 0.093 0.000 0.832 75 N CB 0.449 38.886 38.487 -0.083 0.000 1.645 75 N HN -0.126 nan 8.380 nan 0.000 0.586 76 E N -0.543 119.752 120.200 0.158 0.000 2.267 76 E HA -0.184 4.166 4.350 0.001 0.000 0.197 76 E C 1.297 178.165 176.600 0.446 0.000 0.998 76 E CA 1.439 58.053 56.400 0.357 0.000 0.830 76 E CB -0.638 29.127 29.700 0.109 0.000 0.751 76 E HN 0.610 nan 8.360 nan 0.000 0.491 77 A N 2.021 124.974 122.820 0.221 0.000 1.908 77 A HA -0.164 4.157 4.320 0.001 0.000 0.218 77 A C 1.789 179.722 177.584 0.581 0.000 1.181 77 A CA 1.470 53.688 52.037 0.302 0.000 0.627 77 A CB -0.461 18.618 19.000 0.131 0.000 0.818 77 A HN 0.312 nan 8.150 nan 0.000 0.445 78 N N -1.942 117.070 118.700 0.519 0.000 2.380 78 N HA 0.124 4.864 4.740 0.001 0.000 0.255 78 N C -0.998 174.776 175.510 0.440 0.000 1.158 78 N CA -0.071 53.265 53.050 0.478 0.000 0.878 78 N CB 0.273 39.056 38.487 0.493 0.000 1.138 78 N HN 0.562 nan 8.380 nan 0.000 0.509 79 W N -0.044 121.319 121.300 0.106 0.000 3.834 79 W HA -0.215 4.446 4.660 0.001 0.000 0.320 79 W C 0.147 176.395 176.519 -0.451 0.000 1.201 79 W CA -0.200 56.998 57.345 -0.244 0.000 0.701 79 W CB -2.819 26.452 29.460 -0.315 0.000 2.264 79 W HN 0.229 nan 8.180 nan 0.000 1.413 80 N N 1.078 119.839 118.700 0.102 0.000 2.645 80 N HA 0.236 4.976 4.740 0.001 0.000 0.233 80 N C -0.233 175.397 175.510 0.201 0.000 1.058 80 N CA -0.580 52.511 53.050 0.068 0.000 0.942 80 N CB -0.033 38.541 38.487 0.143 0.000 1.210 80 N HN -0.208 nan 8.380 nan 0.000 0.512 81 F N 2.567 122.543 119.950 0.044 0.000 2.659 81 F HA 0.067 4.595 4.527 0.001 0.000 0.360 81 F C 1.462 177.262 175.800 -0.000 0.000 1.218 81 F CA -0.924 57.053 58.000 -0.038 0.000 1.317 81 F CB -1.430 37.537 39.000 -0.056 0.000 1.697 81 F HN 0.229 nan 8.300 nan 0.000 0.637 82 T N -3.311 111.355 114.554 0.186 0.000 2.795 82 T HA -0.021 4.329 4.350 0.001 0.000 0.314 82 T C 1.263 176.031 174.700 0.112 0.000 1.069 82 T CA -0.297 61.877 62.100 0.124 0.000 1.071 82 T CB 0.996 69.921 68.868 0.094 0.000 0.988 82 T HN 0.383 nan 8.240 nan 0.000 0.543 83 D N 0.624 121.081 120.400 0.095 0.000 2.092 83 D HA -0.171 4.470 4.640 0.001 0.000 0.193 83 D C 2.382 178.740 176.300 0.097 0.000 0.994 83 D CA 2.175 56.231 54.000 0.094 0.000 0.828 83 D CB -0.236 40.607 40.800 0.072 0.000 0.963 83 D HN 0.708 nan 8.370 nan 0.000 0.450 84 S N -0.122 115.625 115.700 0.077 0.000 2.359 84 S HA -0.117 4.354 4.470 0.001 0.000 0.224 84 S C 1.320 175.982 174.600 0.103 0.000 1.035 84 S CA 0.429 58.671 58.200 0.070 0.000 1.018 84 S CB -0.339 62.878 63.200 0.028 0.000 0.876 84 S HN 0.069 nan 8.310 nan 0.000 0.448 88 Y N 2.631 123.033 120.300 0.169 0.000 2.200 88 Y HA 0.219 4.770 4.550 0.001 0.000 0.290 88 Y C 2.394 178.423 175.900 0.215 0.000 1.137 88 Y CA 2.243 60.434 58.100 0.151 0.000 1.163 88 Y CB -0.638 37.870 38.460 0.081 0.000 0.988 88 Y HN 0.288 nan 8.280 nan 0.000 0.518 89 A N -0.988 122.016 122.820 0.306 0.000 1.930 89 A HA -0.223 4.097 4.320 0.001 0.000 0.217 89 A C 2.139 180.110 177.584 0.646 0.000 1.175 89 A CA 1.485 53.777 52.037 0.425 0.000 0.627 89 A CB -1.468 17.886 19.000 0.590 0.000 0.815 89 A HN 0.616 nan 8.150 nan 0.000 0.443 90 Y N 0.610 121.175 120.300 0.441 0.000 2.224 90 Y HA -0.233 4.318 4.550 0.001 0.000 0.289 90 Y C 2.512 178.579 175.900 0.278 0.000 1.146 90 Y CA 2.196 60.451 58.100 0.258 0.000 1.182 90 Y CB -0.343 38.159 38.460 0.071 0.000 0.983 90 Y HN 0.457 nan 8.280 nan 0.000 0.524 91 Q N -0.329 119.646 119.800 0.291 0.000 2.016 91 Q HA -0.194 4.146 4.340 0.001 0.000 0.200 91 Q C 1.903 177.944 176.000 0.069 0.000 0.978 91 Q CA 1.563 57.472 55.803 0.178 0.000 0.833 91 Q CB -0.205 28.661 28.738 0.214 0.000 0.895 91 Q HN 0.453 nan 8.270 nan 0.000 0.427 92 N N -0.394 118.284 118.700 -0.036 0.000 2.381 92 N HA -0.089 4.652 4.740 0.001 0.000 0.182 92 N C 1.094 176.473 175.510 -0.218 0.000 1.025 92 N CA 1.100 54.023 53.050 -0.212 0.000 0.888 92 N CB 0.030 38.230 38.487 -0.478 0.000 0.965 92 N HN 0.220 nan 8.380 nan 0.000 0.438 93 F N -2.136 117.885 119.950 0.119 0.000 2.622 93 F HA 0.117 4.645 4.527 0.001 0.000 0.288 93 F C 1.805 177.717 175.800 0.187 0.000 1.120 93 F CA -0.013 58.089 58.000 0.171 0.000 1.423 93 F CB 0.311 39.487 39.000 0.293 0.000 1.127 93 F HN -0.061 nan 8.300 nan 0.000 0.588 94 Y N -0.513 119.821 120.300 0.057 0.000 3.011 94 Y HA -0.003 4.548 4.550 0.001 0.000 0.231 94 Y C 2.458 178.376 175.900 0.031 0.000 0.983 94 Y CA 0.731 58.757 58.100 -0.124 0.000 1.429 94 Y CB -0.544 37.457 38.460 -0.766 0.000 1.491 94 Y HN -0.118 nan 8.280 nan 0.000 0.444 95 S N 0.416 116.091 115.700 -0.042 0.000 2.382 95 S HA -0.192 4.278 4.470 0.001 0.000 0.228 95 S C 1.676 176.380 174.600 0.174 0.000 1.027 95 S CA 1.276 59.531 58.200 0.091 0.000 0.991 95 S CB -0.465 62.853 63.200 0.197 0.000 0.823 95 S HN 0.512 nan 8.310 nan 0.000 0.469 96 Q N 0.834 120.711 119.800 0.128 0.000 2.135 96 Q HA 0.063 4.404 4.340 0.001 0.000 0.204 96 Q C 2.153 178.220 176.000 0.111 0.000 0.981 96 Q CA 1.335 57.208 55.803 0.116 0.000 0.856 96 Q CB -0.430 28.351 28.738 0.071 0.000 0.902 96 Q HN 0.684 nan 8.270 nan 0.000 0.425 97 I N -0.075 120.557 120.570 0.104 0.000 3.059 97 I HA -0.147 4.024 4.170 0.001 0.000 0.270 97 I C 1.879 178.052 176.117 0.093 0.000 1.238 97 I CA 0.081 61.415 61.300 0.057 0.000 1.478 97 I CB 0.025 38.008 38.000 -0.027 0.000 1.097 97 I HN 0.020 nan 8.210 nan 0.000 0.455 98 F N 0.916 120.892 119.950 0.043 0.000 2.102 98 F HA -0.252 4.276 4.527 0.001 0.000 0.298 98 F C 2.030 177.955 175.800 0.207 0.000 1.105 98 F CA 1.619 59.703 58.000 0.140 0.000 1.239 98 F CB -0.147 38.861 39.000 0.014 0.000 0.991 98 F HN -0.086 nan 8.300 nan 0.000 0.474 99 L N 0.849 122.184 121.223 0.187 0.000 1.956 99 L HA -0.182 4.158 4.340 0.001 0.000 0.216 99 L C -0.057 176.789 176.870 -0.039 0.000 1.073 99 L CA 2.542 57.430 54.840 0.080 0.000 0.762 99 L CB -2.985 39.164 42.059 0.149 0.000 0.889 99 L HN 0.120 nan 8.230 nan 0.000 0.433 100 P HA -0.207 nan 4.420 nan 0.000 0.216 100 P C 1.546 178.820 177.300 -0.044 0.000 1.153 100 P CA 1.296 64.391 63.100 -0.008 0.000 0.848 100 P CB -0.230 31.487 31.700 0.029 0.000 0.787 101 W N 1.204 122.380 121.300 -0.206 0.000 2.355 101 W HA -0.203 4.457 4.660 0.001 0.000 0.309 101 W C 2.094 178.461 176.519 -0.253 0.000 1.206 101 W CA 1.876 59.071 57.345 -0.249 0.000 1.284 101 W CB -1.152 28.072 29.460 -0.394 0.000 1.145 101 W HN -0.144 nan 8.180 nan 0.000 0.502 102 N N 0.413 118.834 118.700 -0.465 0.000 2.149 102 N HA -0.229 4.511 4.740 0.001 0.000 0.188 102 N C 1.588 176.834 175.510 -0.440 0.000 1.019 102 N CA 2.254 54.916 53.050 -0.647 0.000 0.857 102 N CB -0.372 37.728 38.487 -0.645 0.000 0.997 102 N HN 0.391 nan 8.380 nan 0.000 0.426 103 E N -0.359 119.663 120.200 -0.297 0.000 2.106 103 E HA -0.086 4.265 4.350 0.001 0.000 0.192 103 E C 1.912 178.387 176.600 -0.209 0.000 0.984 103 E CA 0.782 57.061 56.400 -0.201 0.000 0.806 103 E CB -0.008 29.615 29.700 -0.128 0.000 0.750 103 E HN 0.492 nan 8.360 nan 0.000 0.458 104 I N 0.352 120.776 120.570 -0.242 0.000 2.252 104 I HA -0.256 3.914 4.170 0.001 0.000 0.245 104 I C 2.395 178.371 176.117 -0.234 0.000 1.102 104 I CA 0.902 62.125 61.300 -0.129 0.000 1.385 104 I CB -0.201 37.705 38.000 -0.156 0.000 1.064 104 I HN 0.139 nan 8.210 nan 0.000 0.414 105 Y N 2.063 121.939 120.300 -0.708 0.000 2.181 105 Y HA -0.238 4.312 4.550 0.001 0.000 0.288 105 Y C 2.388 178.065 175.900 -0.372 0.000 1.146 105 Y CA 1.557 59.241 58.100 -0.694 0.000 1.164 105 Y CB -0.339 37.373 38.460 -1.248 0.000 0.982 105 Y HN 0.171 nan 8.280 nan 0.000 0.515 106 E N -0.067 119.886 120.200 -0.412 0.000 2.118 106 E HA -0.215 4.136 4.350 0.001 0.000 0.195 106 E C 2.183 178.613 176.600 -0.283 0.000 0.992 106 E CA 1.782 57.969 56.400 -0.356 0.000 0.804 106 E CB -0.236 29.339 29.700 -0.208 0.000 0.741 106 E HN 0.553 nan 8.360 nan 0.000 0.458 107 I N 0.516 120.966 120.570 -0.200 0.000 2.406 107 I HA -0.135 4.036 4.170 0.001 0.000 0.249 107 I C 2.462 178.546 176.117 -0.055 0.000 1.122 107 I CA 0.658 61.883 61.300 -0.125 0.000 1.431 107 I CB -0.140 37.775 38.000 -0.141 0.000 1.087 107 I HN 0.037 nan 8.210 nan 0.000 0.424 108 A N 1.788 124.584 122.820 -0.040 0.000 1.930 108 A HA -0.177 4.144 4.320 0.001 0.000 0.215 108 A C 2.278 179.767 177.584 -0.158 0.000 1.176 108 A CA 1.402 53.403 52.037 -0.060 0.000 0.632 108 A CB -0.485 18.438 19.000 -0.129 0.000 0.819 108 A HN 0.489 nan 8.150 nan 0.000 0.445 109 K N -0.708 119.497 120.400 -0.326 0.000 2.442 109 K HA -0.093 4.227 4.320 0.001 0.000 0.198 109 K C 0.024 176.489 176.600 -0.224 0.000 1.042 109 K CA 1.720 57.792 56.287 -0.358 0.000 0.958 109 K CB -0.189 31.844 32.500 -0.778 0.000 0.766 109 K HN 0.242 nan 8.250 nan 0.000 0.474 110 D N 0.552 120.842 120.400 -0.183 0.000 2.395 110 D HA 0.079 4.719 4.640 0.001 0.000 0.213 110 D C -0.670 175.581 176.300 -0.081 0.000 1.110 110 D CA -0.021 53.905 54.000 -0.123 0.000 0.835 110 D CB 0.873 41.599 40.800 -0.123 0.000 0.965 110 D HN 0.159 nan 8.370 nan 0.000 0.505 111 S N -0.301 115.357 115.700 -0.070 0.000 2.617 111 S HA 0.204 4.675 4.470 0.001 0.000 0.283 111 S C 0.180 174.759 174.600 -0.034 0.000 1.189 111 S CA -0.611 57.565 58.200 -0.039 0.000 1.036 111 S CB 1.026 64.219 63.200 -0.012 0.000 1.014 111 S HN -0.083 nan 8.310 nan 0.000 0.522 112 D N 1.485 121.870 120.400 -0.025 0.000 2.398 112 D HA 0.171 4.812 4.640 0.001 0.000 0.210 112 D C 0.033 176.324 176.300 -0.015 0.000 1.094 112 D CA 0.208 54.196 54.000 -0.020 0.000 0.839 112 D CB 0.565 41.353 40.800 -0.020 0.000 0.963 112 D HN 0.370 nan 8.370 nan 0.000 0.506 113 S N 1.817 117.509 115.700 -0.013 0.000 2.513 113 S HA 0.207 4.678 4.470 0.001 0.000 0.276 113 S C -1.420 173.176 174.600 -0.006 0.000 1.254 113 S CA -1.318 56.877 58.200 -0.009 0.000 1.053 113 S CB 1.466 64.664 63.200 -0.003 0.000 0.958 113 S HN -0.119 nan 8.310 nan 0.000 0.491 114 P HA -0.070 nan 4.420 nan 0.000 0.220 114 P C 1.453 178.781 177.300 0.047 0.000 1.152 114 P CA 0.990 64.104 63.100 0.023 0.000 0.812 114 P CB -0.154 31.569 31.700 0.039 0.000 0.792 115 S N 0.347 116.079 115.700 0.054 0.000 2.383 115 S HA -0.121 4.350 4.470 0.001 0.000 0.227 115 S C 1.950 176.550 174.600 -0.000 0.000 1.026 115 S CA 0.856 59.115 58.200 0.100 0.000 0.981 115 S CB -1.136 62.084 63.200 0.033 0.000 0.818 115 S HN 0.197 nan 8.310 nan 0.000 0.472 116 E N 0.651 120.828 120.200 -0.038 0.000 2.274 116 E HA -0.051 4.300 4.350 0.001 0.000 0.194 116 E C 2.185 178.677 176.600 -0.180 0.000 0.996 116 E CA 0.720 57.043 56.400 -0.128 0.000 0.840 116 E CB -0.054 29.633 29.700 -0.022 0.000 0.772 116 E HN 0.507 nan 8.360 nan 0.000 0.491 117 Q N -0.054 119.687 119.800 -0.097 0.000 2.172 117 Q HA -0.030 4.310 4.340 0.001 0.000 0.200 117 Q C 2.057 177.986 176.000 -0.118 0.000 0.964 117 Q CA 1.078 56.827 55.803 -0.091 0.000 0.855 117 Q CB -0.165 28.548 28.738 -0.042 0.000 0.918 117 Q HN 0.237 nan 8.270 nan 0.000 0.444 118 A N 0.713 123.464 122.820 -0.115 0.000 1.929 118 A HA -0.077 4.244 4.320 0.001 0.000 0.216 118 A C 2.159 179.593 177.584 -0.250 0.000 1.176 118 A CA 0.710 52.659 52.037 -0.148 0.000 0.628 118 A CB -0.508 18.423 19.000 -0.115 0.000 0.816 118 A HN 0.279 nan 8.150 nan 0.000 0.444 119 I N -0.736 119.644 120.570 -0.317 0.000 2.226 119 I HA -0.230 3.941 4.170 0.001 0.000 0.245 119 I C 2.428 178.251 176.117 -0.491 0.000 1.100 119 I CA 1.224 62.224 61.300 -0.501 0.000 1.374 119 I CB -0.248 37.337 38.000 -0.691 0.000 1.057 119 I HN 0.398 nan 8.210 nan 0.000 0.413 120 L N 0.752 121.747 121.223 -0.381 0.000 2.083 120 L HA -0.188 4.153 4.340 0.001 0.000 0.209 120 L C 2.400 179.186 176.870 -0.140 0.000 1.083 120 L CA 1.918 56.611 54.840 -0.245 0.000 0.752 120 L CB -0.683 41.287 42.059 -0.149 0.000 0.899 120 L HN 0.129 nan 8.230 nan 0.000 0.433 121 E N -0.145 119.969 120.200 -0.143 0.000 2.106 121 E HA -0.144 4.207 4.350 0.001 0.000 0.192 121 E C 2.350 178.864 176.600 -0.143 0.000 0.984 121 E CA 1.474 57.817 56.400 -0.095 0.000 0.806 121 E CB -0.261 29.392 29.700 -0.077 0.000 0.750 121 E HN 0.600 nan 8.360 nan 0.000 0.458 122 I N 0.786 121.182 120.570 -0.290 0.000 2.353 122 I HA -0.199 3.972 4.170 0.001 0.000 0.248 122 I C 2.338 178.266 176.117 -0.316 0.000 1.119 122 I CA 0.854 61.871 61.300 -0.472 0.000 1.417 122 I CB -0.237 37.249 38.000 -0.856 0.000 1.078 122 I HN -0.015 nan 8.210 nan 0.000 0.421 123 A N 0.991 123.678 122.820 -0.221 0.000 1.930 123 A HA -0.188 4.133 4.320 0.001 0.000 0.217 123 A C 2.028 179.663 177.584 0.085 0.000 1.175 123 A CA 1.651 53.703 52.037 0.026 0.000 0.627 123 A CB -0.554 18.444 19.000 -0.003 0.000 0.815 123 A HN 0.388 nan 8.150 nan 0.000 0.443 124 N N 0.211 118.940 118.700 0.048 0.000 2.188 124 N HA -0.076 4.664 4.740 0.001 0.000 0.184 124 N C 1.628 177.091 175.510 -0.079 0.000 1.018 124 N CA 1.370 54.412 53.050 -0.013 0.000 0.858 124 N CB -0.429 38.071 38.487 0.022 0.000 0.989 124 N HN 0.573 nan 8.380 nan 0.000 0.426 125 I N 0.448 121.014 120.570 -0.008 0.000 2.179 125 I HA -0.224 3.947 4.170 0.001 0.000 0.242 125 I C 2.035 178.192 176.117 0.066 0.000 1.088 125 I CA 0.823 62.166 61.300 0.073 0.000 1.357 125 I CB -0.269 37.863 38.000 0.219 0.000 1.051 125 I HN -0.092 nan 8.210 nan 0.000 0.409 126 V N 0.783 120.754 119.914 0.094 0.000 2.343 126 V HA -0.298 3.823 4.120 0.001 0.000 0.247 126 V C 2.619 178.586 176.094 -0.212 0.000 1.051 126 V CA 1.931 64.252 62.300 0.035 0.000 1.036 126 V CB -0.859 31.054 31.823 0.149 0.000 0.654 126 V HN 0.424 nan 8.190 nan 0.000 0.451 127 R N 0.349 120.663 120.500 -0.309 0.000 2.081 127 R HA -0.176 4.165 4.340 0.001 0.000 0.235 127 R C 2.151 178.058 176.300 -0.655 0.000 1.131 127 R CA 1.892 57.563 56.100 -0.715 0.000 0.960 127 R CB -0.256 29.349 30.300 -1.158 0.000 0.856 127 R HN 0.532 nan 8.270 nan 0.000 0.436 128 N N 0.615 119.106 118.700 -0.347 0.000 2.270 128 N HA -0.096 4.644 4.740 0.001 0.000 0.181 128 N C 1.825 177.295 175.510 -0.068 0.000 1.016 128 N CA 1.014 53.993 53.050 -0.118 0.000 0.870 128 N CB -0.098 38.370 38.487 -0.031 0.000 0.979 128 N HN 0.322 nan 8.380 nan 0.000 0.431 129 I N 0.846 121.344 120.570 -0.121 0.000 2.252 129 I HA -0.195 3.976 4.170 0.001 0.000 0.245 129 I C 2.253 178.285 176.117 -0.140 0.000 1.102 129 I CA 0.848 62.071 61.300 -0.129 0.000 1.385 129 I CB -0.218 37.630 38.000 -0.254 0.000 1.064 129 I HN 0.054 nan 8.210 nan 0.000 0.414 130 A N 0.217 122.922 122.820 -0.191 0.000 1.872 130 A HA -0.184 4.137 4.320 0.001 0.000 0.214 130 A C 1.891 179.619 177.584 0.240 0.000 1.187 130 A CA 1.078 53.081 52.037 -0.056 0.000 0.614 130 A CB -0.824 18.092 19.000 -0.140 0.000 0.826 130 A HN 0.511 nan 8.150 nan 0.000 0.442 131 W N -0.573 120.715 121.300 -0.020 0.000 2.699 131 W HA 0.092 4.752 4.660 0.001 0.000 0.249 131 W C 1.735 178.278 176.519 0.041 0.000 1.280 131 W CA 0.307 57.689 57.345 0.063 0.000 1.345 131 W CB -0.815 28.701 29.460 0.093 0.000 1.128 131 W HN 0.388 nan 8.180 nan 0.000 0.642 132 L N 1.013 122.346 121.223 0.183 0.000 2.093 132 L HA -0.084 4.257 4.340 0.001 0.000 0.208 132 L C 2.359 179.290 176.870 0.102 0.000 1.085 132 L CA 1.851 56.725 54.840 0.058 0.000 0.755 132 L CB -0.595 41.459 42.059 -0.009 0.000 0.904 132 L HN -0.179 nan 8.230 nan 0.000 0.435 133 R N -0.479 120.098 120.500 0.128 0.000 2.066 133 R HA -0.074 4.267 4.340 0.001 0.000 0.232 133 R C 2.329 178.627 176.300 -0.003 0.000 1.131 133 R CA 1.332 57.492 56.100 0.101 0.000 0.955 133 R CB -0.742 29.718 30.300 0.267 0.000 0.851 133 R HN 0.516 nan 8.270 nan 0.000 0.432 134 A N 0.147 123.068 122.820 0.169 0.000 1.873 134 A HA -0.262 4.059 4.320 0.001 0.000 0.218 134 A C 2.274 179.936 177.584 0.129 0.000 1.193 134 A CA 2.365 54.506 52.037 0.174 0.000 0.629 134 A CB -1.240 17.913 19.000 0.255 0.000 0.826 134 A HN 0.397 nan 8.150 nan 0.000 0.447 135 T N -1.000 113.638 114.554 0.140 0.000 2.821 135 T HA -0.127 4.224 4.350 0.001 0.000 0.267 135 T C 1.374 176.170 174.700 0.160 0.000 1.046 135 T CA 1.754 63.952 62.100 0.164 0.000 1.139 135 T CB -0.576 68.405 68.868 0.188 0.000 0.871 135 T HN 0.429 nan 8.240 nan 0.000 0.454 136 D N 0.281 120.782 120.400 0.169 0.000 2.310 136 D HA 0.017 4.658 4.640 0.001 0.000 0.212 136 D C 1.931 178.144 176.300 -0.146 0.000 0.965 136 D CA 0.469 54.602 54.000 0.222 0.000 0.879 136 D CB 0.099 41.003 40.800 0.173 0.000 0.921 136 D HN 0.343 nan 8.370 nan 0.000 0.510 137 V N -0.767 118.933 119.914 -0.356 0.000 2.672 137 V HA 0.012 4.133 4.120 0.001 0.000 0.242 137 V C 1.531 177.217 176.094 -0.681 0.000 1.059 137 V CA 0.807 62.666 62.300 -0.735 0.000 1.081 137 V CB -0.123 30.968 31.823 -1.220 0.000 0.752 137 V HN 0.048 nan 8.190 nan 0.000 0.472 138 F N -0.295 119.483 119.950 -0.288 0.000 2.622 138 F HA 0.537 5.065 4.527 0.001 0.000 0.288 138 F C 1.742 177.474 175.800 -0.114 0.000 1.120 138 F CA 0.981 58.809 58.000 -0.286 0.000 1.423 138 F CB 0.511 39.259 39.000 -0.421 0.000 1.127 138 F HN 0.280 nan 8.300 nan 0.000 0.588 139 G N 0.298 109.170 108.800 0.120 0.000 3.138 139 G HA2 -0.199 3.762 3.960 0.001 0.000 0.247 139 G HA3 -0.199 3.762 3.960 0.001 0.000 0.247 139 G C -2.497 172.507 174.900 0.174 0.000 1.642 139 G CA -0.426 44.720 45.100 0.076 0.000 1.087 139 G HN 0.010 nan 8.290 nan 0.000 0.558 140 P HA 0.550 nan 4.420 nan 0.000 0.275 140 P C -0.193 177.324 177.300 0.362 0.000 1.227 140 P CA 0.480 63.715 63.100 0.225 0.000 0.781 140 P CB 0.972 32.779 31.700 0.178 0.000 0.906 141 I N -1.835 118.790 120.570 0.092 0.000 3.095 141 I HA 0.713 4.884 4.170 0.001 0.000 0.310 141 I C -0.751 174.955 176.117 -0.685 0.000 1.196 141 I CA -1.853 59.251 61.300 -0.327 0.000 0.985 141 I CB 2.191 39.984 38.000 -0.346 0.000 1.250 141 I HN 0.178 nan 8.210 nan 0.000 0.446 142 A N 2.337 124.384 122.820 -1.289 0.000 2.805 142 A HA 0.270 4.591 4.320 0.001 0.000 0.301 142 A C -0.083 177.234 177.584 -0.444 0.000 1.557 142 A CA -0.122 51.382 52.037 -0.888 0.000 1.254 142 A CB -0.888 17.512 19.000 -1.001 0.000 1.114 142 A HN 0.819 nan 8.150 nan 0.000 0.553 143 Y N 2.685 122.795 120.300 -0.315 0.000 2.222 143 Y HA -0.043 4.507 4.550 0.001 0.000 0.290 143 Y C 1.882 177.775 175.900 -0.011 0.000 1.123 143 Y CA 1.735 59.764 58.100 -0.119 0.000 1.120 143 Y CB 0.092 38.516 38.460 -0.060 0.000 1.060 143 Y HN 0.618 nan 8.280 nan 0.000 0.508 144 N N 0.071 118.794 118.700 0.038 0.000 2.309 144 N HA -0.129 4.612 4.740 0.001 0.000 0.182 144 N C 1.814 177.306 175.510 -0.029 0.000 1.018 144 N CA 1.428 54.468 53.050 -0.017 0.000 0.876 144 N CB -0.397 38.140 38.487 0.083 0.000 0.972 144 N HN 0.489 nan 8.380 nan 0.000 0.434 145 S N 0.068 115.752 115.700 -0.027 0.000 2.522 145 S HA 0.185 4.655 4.470 0.001 0.000 0.227 145 S C 1.013 175.661 174.600 0.080 0.000 0.986 145 S CA -0.174 58.032 58.200 0.011 0.000 0.929 145 S CB -0.125 63.059 63.200 -0.027 0.000 0.769 145 S HN 0.285 nan 8.310 nan 0.000 0.529 146 A N 1.212 124.082 122.820 0.084 0.000 2.561 146 A HA 0.462 4.783 4.320 0.001 0.000 0.251 146 A C 1.541 179.374 177.584 0.416 0.000 1.062 146 A CA 0.391 52.635 52.037 0.344 0.000 0.761 146 A CB -1.211 17.967 19.000 0.297 0.000 0.986 146 A HN 1.620 nan 8.150 nan 0.000 0.510 147 G N 2.492 111.659 108.800 0.611 0.000 2.175 147 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 147 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 147 G C 0.476 175.599 174.900 0.372 0.000 0.982 147 G CA 0.907 46.281 45.100 0.457 0.000 0.641 147 G HN 1.188 nan 8.290 nan 0.000 0.527 148 D N 0.613 121.185 120.400 0.286 0.000 2.363 148 D HA 0.299 4.940 4.640 0.001 0.000 0.220 148 D C 1.927 178.333 176.300 0.177 0.000 0.994 148 D CA 1.014 55.136 54.000 0.202 0.000 0.890 148 D CB -0.789 40.094 40.800 0.138 0.000 0.906 148 D HN 1.658 nan 8.370 nan 0.000 0.530 149 G N 0.009 108.941 108.800 0.219 0.000 2.162 149 G HA2 -0.301 3.659 3.960 0.001 0.000 0.260 149 G HA3 -0.301 3.659 3.960 0.001 0.000 0.260 149 G C 0.316 175.296 174.900 0.134 0.000 0.976 149 G CA 0.532 45.739 45.100 0.177 0.000 0.655 149 G HN 0.669 nan 8.290 nan 0.000 0.533 150 S N -0.770 115.001 115.700 0.118 0.000 2.576 150 S HA 0.481 4.951 4.470 0.001 0.000 0.276 150 S C 1.593 176.230 174.600 0.061 0.000 1.339 150 S CA 0.142 58.386 58.200 0.073 0.000 1.039 150 S CB 0.795 64.025 63.200 0.051 0.000 0.902 150 S HN 0.662 nan 8.310 nan 0.000 0.516 151 I N 3.324 123.920 120.570 0.044 0.000 3.226 151 I HA 0.278 4.449 4.170 0.001 0.000 0.277 151 I C 0.786 176.910 176.117 0.012 0.000 1.243 151 I CA 0.358 61.678 61.300 0.035 0.000 1.459 151 I CB -0.067 37.953 38.000 0.033 0.000 1.093 151 I HN 0.682 nan 8.210 nan 0.000 0.453 152 A N 1.953 124.776 122.820 0.005 0.000 3.204 152 A HA 0.525 4.846 4.320 0.001 0.000 0.327 152 A C -2.563 175.015 177.584 -0.010 0.000 0.998 152 A CA -1.286 50.743 52.037 -0.012 0.000 0.891 152 A CB -0.444 18.547 19.000 -0.017 0.000 1.061 152 A HN 0.032 nan 8.150 nan 0.000 0.478 153 P HA -0.049 nan 4.420 nan 0.000 0.263 153 P C -0.167 177.125 177.300 -0.013 0.000 1.175 153 P CA 0.522 63.586 63.100 -0.060 0.000 0.761 153 P CB 0.423 32.021 31.700 -0.171 0.000 0.794 154 K N 3.435 123.819 120.400 -0.027 0.000 2.205 154 K HA 0.330 4.650 4.320 0.001 0.000 0.279 154 K C -0.711 175.888 176.600 -0.003 0.000 1.027 154 K CA -0.446 55.859 56.287 0.031 0.000 0.932 154 K CB 0.250 32.754 32.500 0.006 0.000 1.032 154 K HN 0.163 nan 8.250 nan 0.000 0.466 155 F N 2.010 121.844 119.950 -0.192 0.000 2.379 155 F HA 0.244 4.771 4.527 0.001 0.000 0.332 155 F C 0.672 176.393 175.800 -0.133 0.000 1.096 155 F CA -0.340 57.539 58.000 -0.203 0.000 1.105 155 F CB 1.038 39.864 39.000 -0.290 0.000 1.189 155 F HN 0.477 nan 8.300 nan 0.000 0.515 156 D N 0.202 120.619 120.400 0.028 0.000 2.228 156 D HA 0.248 4.889 4.640 0.001 0.000 0.247 156 D C -0.403 175.895 176.300 -0.005 0.000 0.995 156 D CA -0.227 53.775 54.000 0.003 0.000 0.903 156 D CB 1.828 42.628 40.800 0.000 0.000 1.205 156 D HN 0.491 nan 8.370 nan 0.000 0.459 157 S N 0.208 115.874 115.700 -0.056 0.000 2.593 157 S HA -0.030 4.441 4.470 0.001 0.000 0.269 157 S C 1.142 175.654 174.600 -0.147 0.000 1.334 157 S CA -0.348 57.792 58.200 -0.100 0.000 1.015 157 S CB 1.838 64.943 63.200 -0.159 0.000 0.912 157 S HN 0.550 nan 8.310 nan 0.000 0.541 158 Q N 0.547 120.253 119.800 -0.157 0.000 2.135 158 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 158 Q C 2.067 177.849 176.000 -0.364 0.000 0.981 158 Q CA 1.991 57.714 55.803 -0.133 0.000 0.856 158 Q CB -0.248 28.444 28.738 -0.077 0.000 0.902 158 Q HN 0.950 nan 8.270 nan 0.000 0.425 159 E N -0.779 118.892 120.200 -0.882 0.000 2.085 159 E HA -0.191 4.160 4.350 0.001 0.000 0.194 159 E C 1.885 178.125 176.600 -0.601 0.000 0.994 159 E CA 1.481 57.024 56.400 -1.428 0.000 0.801 159 E CB 0.073 28.880 29.700 -1.489 0.000 0.743 159 E HN 0.292 nan 8.360 nan 0.000 0.453 160 V N 0.481 120.179 119.914 -0.361 0.000 2.343 160 V HA -0.232 3.889 4.120 0.001 0.000 0.247 160 V C 2.421 178.419 176.094 -0.160 0.000 1.051 160 V CA 1.354 63.541 62.300 -0.189 0.000 1.036 160 V CB -0.179 31.575 31.823 -0.116 0.000 0.654 160 V HN 0.214 nan 8.190 nan 0.000 0.451 161 V N -1.158 118.653 119.914 -0.171 0.000 2.287 161 V HA -0.300 3.821 4.120 0.001 0.000 0.248 161 V C 2.182 178.064 176.094 -0.354 0.000 1.053 161 V CA 2.192 64.312 62.300 -0.300 0.000 1.027 161 V CB -0.781 30.927 31.823 -0.192 0.000 0.646 161 V HN 0.507 nan 8.190 nan 0.000 0.447 162 Y N 0.603 120.741 120.300 -0.270 0.000 2.145 162 Y HA -0.186 4.365 4.550 0.001 0.000 0.286 162 Y C 2.740 178.536 175.900 -0.174 0.000 1.145 162 Y CA 1.755 59.764 58.100 -0.152 0.000 1.148 162 Y CB -0.421 38.066 38.460 0.047 0.000 0.981 162 Y HN 0.106 nan 8.280 nan 0.000 0.507 163 R N -0.236 120.250 120.500 -0.023 0.000 2.081 163 R HA -0.085 4.256 4.340 0.001 0.000 0.235 163 R C 1.292 177.547 176.300 -0.076 0.000 1.131 163 R CA 1.050 57.130 56.100 -0.032 0.000 0.960 163 R CB -0.531 29.765 30.300 -0.006 0.000 0.856 163 R HN 0.148 nan 8.270 nan 0.000 0.436 167 A N 0.224 122.953 122.820 -0.152 0.000 1.930 167 A HA -0.164 4.156 4.320 0.001 0.000 0.217 167 A C 1.618 179.256 177.584 0.090 0.000 1.175 167 A CA 2.117 54.215 52.037 0.101 0.000 0.627 167 A CB -0.349 18.733 19.000 0.136 0.000 0.815 167 A HN 0.441 nan 8.150 nan 0.000 0.443 168 D N 0.075 120.514 120.400 0.064 0.000 2.144 168 D HA -0.078 4.563 4.640 0.001 0.000 0.200 168 D C 1.960 178.294 176.300 0.057 0.000 0.978 168 D CA 0.869 54.917 54.000 0.080 0.000 0.833 168 D CB -0.297 40.579 40.800 0.127 0.000 0.961 168 D HN 0.440 nan 8.370 nan 0.000 0.470 169 L N 0.395 121.635 121.223 0.029 0.000 2.046 169 L HA -0.147 4.193 4.340 0.001 0.000 0.208 169 L C 2.567 179.473 176.870 0.060 0.000 1.077 169 L CA 0.817 55.676 54.840 0.031 0.000 0.747 169 L CB -0.364 41.693 42.059 -0.004 0.000 0.896 169 L HN -0.016 nan 8.230 nan 0.000 0.432 170 S N -0.502 115.255 115.700 0.095 0.000 2.368 170 S HA -0.167 4.303 4.470 0.001 0.000 0.225 170 S C 2.083 176.737 174.600 0.090 0.000 1.030 170 S CA 1.171 59.450 58.200 0.132 0.000 0.999 170 S CB 0.000 63.346 63.200 0.243 0.000 0.844 170 S HN 0.251 nan 8.310 nan 0.000 0.459 171 K N 0.895 121.345 120.400 0.083 0.000 2.026 171 K HA -0.006 4.315 4.320 0.001 0.000 0.208 171 K C 2.442 179.068 176.600 0.043 0.000 1.048 171 K CA 1.380 57.704 56.287 0.062 0.000 0.929 171 K CB -0.705 31.833 32.500 0.064 0.000 0.713 171 K HN 0.326 nan 8.250 nan 0.000 0.439 172 S N 0.992 116.717 115.700 0.041 0.000 2.359 172 S HA -0.114 4.356 4.470 0.001 0.000 0.224 172 S C 2.201 176.816 174.600 0.025 0.000 1.035 172 S CA 1.273 59.489 58.200 0.026 0.000 1.018 172 S CB -0.272 62.948 63.200 0.032 0.000 0.876 172 S HN 0.033 nan 8.310 nan 0.000 0.448 173 V N 1.655 121.592 119.914 0.039 0.000 2.295 173 V HA -0.200 3.920 4.120 0.001 0.000 0.246 173 V C 2.466 178.571 176.094 0.019 0.000 1.049 173 V CA 2.011 64.331 62.300 0.033 0.000 1.024 173 V CB -0.618 31.229 31.823 0.041 0.000 0.648 173 V HN 0.524 nan 8.190 nan 0.000 0.447 174 E N -0.133 120.081 120.200 0.024 0.000 2.085 174 E HA -0.262 4.089 4.350 0.001 0.000 0.194 174 E C 2.239 178.842 176.600 0.004 0.000 0.994 174 E CA 1.704 58.114 56.400 0.016 0.000 0.801 174 E CB -0.114 29.600 29.700 0.024 0.000 0.743 174 E HN 0.576 nan 8.360 nan 0.000 0.453 175 L N 0.404 121.628 121.223 0.001 0.000 2.005 175 L HA -0.134 4.206 4.340 0.001 0.000 0.207 175 L C 2.334 179.184 176.870 -0.034 0.000 1.072 175 L CA 1.072 55.904 54.840 -0.013 0.000 0.744 175 L CB -0.146 41.904 42.059 -0.014 0.000 0.895 175 L HN 0.218 nan 8.230 nan 0.000 0.433 176 L N -0.184 121.016 121.223 -0.037 0.000 2.265 176 L HA -0.221 4.119 4.340 0.001 0.000 0.215 176 L C 1.926 178.761 176.870 -0.058 0.000 1.117 176 L CA 1.333 56.137 54.840 -0.060 0.000 0.782 176 L CB -0.743 41.298 42.059 -0.030 0.000 0.914 176 L HN 0.431 nan 8.230 nan 0.000 0.441 177 N N -0.801 117.879 118.700 -0.033 0.000 2.520 177 N HA -0.128 4.612 4.740 0.001 0.000 0.185 177 N C 1.418 176.904 175.510 -0.039 0.000 1.068 177 N CA 1.196 54.227 53.050 -0.031 0.000 0.911 177 N CB 0.214 38.692 38.487 -0.016 0.000 0.961 177 N HN 0.360 nan 8.380 nan 0.000 0.446 178 T N -2.039 112.488 114.554 -0.046 0.000 3.105 178 T HA 0.239 4.590 4.350 0.001 0.000 0.253 178 T C 0.225 174.882 174.700 -0.071 0.000 1.047 178 T CA -0.256 61.821 62.100 -0.039 0.000 0.944 178 T CB 0.094 68.952 68.868 -0.017 0.000 1.016 178 T HN -0.114 nan 8.240 nan 0.000 0.544 179 I N 2.984 123.467 120.570 -0.145 0.000 2.354 179 I HA 0.368 4.539 4.170 0.001 0.000 0.292 179 I C 1.134 177.082 176.117 -0.282 0.000 0.989 179 I CA -0.559 60.546 61.300 -0.326 0.000 1.188 179 I CB 1.442 39.149 38.000 -0.488 0.000 1.342 179 I HN 0.337 nan 8.210 nan 0.000 0.457 180 S N 5.328 120.887 115.700 -0.235 0.000 2.505 180 S HA 0.086 4.556 4.470 0.001 0.000 0.216 180 S C 0.403 174.974 174.600 -0.047 0.000 1.018 180 S CA -0.292 57.854 58.200 -0.090 0.000 0.911 180 S CB -0.175 63.031 63.200 0.011 0.000 0.818 180 S HN 0.490 nan 8.310 nan 0.000 0.497 181 Y N 1.546 121.849 120.300 0.006 0.000 2.298 181 Y HA 0.766 5.317 4.550 0.001 0.000 0.329 181 Y C 0.268 176.179 175.900 0.018 0.000 1.293 181 Y CA -1.374 56.732 58.100 0.009 0.000 1.388 181 Y CB -0.032 38.429 38.460 0.002 0.000 1.309 181 Y HN -0.102 nan 8.280 nan 0.000 0.544 182 S N 1.014 116.841 115.700 0.211 0.000 2.564 182 S HA 0.461 4.931 4.470 0.001 0.000 0.278 182 S C -0.182 174.530 174.600 0.186 0.000 1.333 182 S CA -0.716 57.571 58.200 0.146 0.000 1.048 182 S CB 0.810 64.086 63.200 0.126 0.000 0.900 182 S HN 0.535 nan 8.310 nan 0.000 0.505 186 Q N -1.182 118.565 119.800 -0.088 0.000 2.369 186 Q HA -0.031 4.309 4.340 0.001 0.000 0.206 186 Q C 0.706 176.463 176.000 -0.406 0.000 0.963 186 Q CA 1.768 57.377 55.803 -0.322 0.000 0.894 186 Q CB -0.098 28.299 28.738 -0.568 0.000 0.965 186 Q HN 0.822 nan 8.270 nan 0.000 0.475 187 Y N -1.301 119.105 120.300 0.176 0.000 2.500 187 Y HA 0.210 4.761 4.550 0.001 0.000 0.246 187 Y C -0.181 175.909 175.900 0.317 0.000 1.146 187 Y CA -0.774 57.466 58.100 0.233 0.000 1.230 187 Y CB 0.805 39.448 38.460 0.304 0.000 1.214 187 Y HN -0.030 nan 8.280 nan 0.000 0.526 188 D N 1.451 122.112 120.400 0.436 0.000 2.422 188 D HA 0.158 4.799 4.640 0.001 0.000 0.227 188 D C 0.670 177.096 176.300 0.211 0.000 1.190 188 D CA 0.148 54.437 54.000 0.482 0.000 0.905 188 D CB 0.678 41.816 40.800 0.564 0.000 1.034 188 D HN 0.298 nan 8.370 nan 0.000 0.507 189 L N 3.461 124.728 121.223 0.074 0.000 2.554 189 L HA 0.001 4.341 4.340 0.001 0.000 0.226 189 L C 1.469 178.215 176.870 -0.206 0.000 1.137 189 L CA 0.067 54.867 54.840 -0.067 0.000 0.863 189 L CB -0.073 41.919 42.059 -0.112 0.000 0.985 189 L HN 0.459 nan 8.230 nan 0.000 0.451 190 I N -1.383 119.042 120.570 -0.243 0.000 2.685 190 I HA -0.083 4.088 4.170 0.001 0.000 0.251 190 I C 1.409 177.155 176.117 -0.619 0.000 1.102 190 I CA 1.426 62.337 61.300 -0.649 0.000 1.442 190 I CB -0.621 36.744 38.000 -1.058 0.000 1.194 190 I HN 0.171 nan 8.210 nan 0.000 0.448 191 Y N 0.248 120.446 120.300 -0.169 0.000 2.641 191 Y HA 0.217 4.768 4.550 0.001 0.000 0.248 191 Y C 0.460 176.379 175.900 0.032 0.000 1.170 191 Y CA -0.481 57.528 58.100 -0.152 0.000 1.201 191 Y CB 0.309 38.539 38.460 -0.384 0.000 1.232 191 Y HN 0.227 nan 8.280 nan 0.000 0.537 192 N N 1.355 120.187 118.700 0.219 0.000 2.716 192 N HA -0.231 4.509 4.740 0.001 0.000 0.250 192 N C 0.937 176.576 175.510 0.215 0.000 1.033 192 N CA 1.339 54.498 53.050 0.181 0.000 0.727 192 N CB -1.045 37.502 38.487 0.100 0.000 0.950 192 N HN 0.745 nan 8.380 nan 0.000 0.541 193 G N -0.963 108.038 108.800 0.335 0.000 2.199 193 G HA2 -0.371 3.590 3.960 0.001 0.000 0.254 193 G HA3 -0.371 3.590 3.960 0.001 0.000 0.254 193 G C 0.002 175.057 174.900 0.258 0.000 0.982 193 G CA 0.200 45.470 45.100 0.284 0.000 0.632 193 G HN 0.736 nan 8.290 nan 0.000 0.529 194 N N 1.135 119.984 118.700 0.248 0.000 2.406 194 N HA 0.285 5.026 4.740 0.001 0.000 0.269 194 N C 1.705 177.330 175.510 0.192 0.000 1.210 194 N CA 0.638 53.767 53.050 0.131 0.000 0.966 194 N CB 1.013 39.509 38.487 0.015 0.000 1.293 194 N HN 0.104 nan 8.380 nan 0.000 0.491 195 V N 3.930 123.937 119.914 0.156 0.000 2.407 195 V HA -0.262 3.858 4.120 0.001 0.000 0.248 195 V C 1.954 178.096 176.094 0.080 0.000 1.055 195 V CA 1.604 64.001 62.300 0.163 0.000 1.049 195 V CB -0.354 31.456 31.823 -0.021 0.000 0.662 195 V HN 0.599 nan 8.190 nan 0.000 0.455 196 Q N 0.151 119.938 119.800 -0.021 0.000 2.181 196 Q HA -0.188 4.153 4.340 0.001 0.000 0.205 196 Q C 1.986 177.890 176.000 -0.160 0.000 0.980 196 Q CA 2.008 57.766 55.803 -0.074 0.000 0.862 196 Q CB -0.584 28.104 28.738 -0.084 0.000 0.905 196 Q HN 0.745 nan 8.270 nan 0.000 0.429 197 N N -1.282 117.230 118.700 -0.314 0.000 2.216 197 N HA -0.110 4.630 4.740 0.001 0.000 0.183 197 N C 1.091 176.190 175.510 -0.685 0.000 1.017 197 N CA 0.546 53.136 53.050 -0.766 0.000 0.861 197 N CB -0.106 37.516 38.487 -1.442 0.000 0.986 197 N HN 0.290 nan 8.380 nan 0.000 0.428 198 W N 0.705 121.876 121.300 -0.215 0.000 2.402 198 W HA -0.074 4.586 4.660 0.001 0.000 0.286 198 W C 2.045 178.577 176.519 0.021 0.000 1.221 198 W CA 0.323 57.726 57.345 0.096 0.000 1.257 198 W CB -0.384 29.165 29.460 0.149 0.000 1.120 198 W HN -0.135 nan 8.180 nan 0.000 0.551 199 V N 0.550 120.553 119.914 0.148 0.000 2.358 199 V HA -0.291 3.829 4.120 0.001 0.000 0.246 199 V C 2.140 178.234 176.094 -0.001 0.000 1.047 199 V CA 1.807 64.147 62.300 0.067 0.000 1.035 199 V CB -0.700 31.131 31.823 0.014 0.000 0.658 199 V HN 0.139 nan 8.190 nan 0.000 0.452 200 K N -0.419 119.934 120.400 -0.078 0.000 2.097 200 K HA -0.193 4.127 4.320 0.001 0.000 0.206 200 K C 2.086 178.604 176.600 -0.136 0.000 1.049 200 K CA 1.453 57.663 56.287 -0.128 0.000 0.933 200 K CB -0.340 32.048 32.500 -0.186 0.000 0.717 200 K HN 0.296 nan 8.250 nan 0.000 0.442 201 L N 0.976 122.163 121.223 -0.060 0.000 2.027 201 L HA -0.080 4.260 4.340 0.001 0.000 0.206 201 L C 2.181 179.039 176.870 -0.020 0.000 1.074 201 L CA 1.811 56.637 54.840 -0.023 0.000 0.745 201 L CB -0.752 41.429 42.059 0.203 0.000 0.898 201 L HN 0.093 nan 8.230 nan 0.000 0.433 202 A N -0.202 122.668 122.820 0.083 0.000 1.883 202 A HA -0.241 4.079 4.320 0.001 0.000 0.217 202 A C 2.107 179.690 177.584 -0.002 0.000 1.186 202 A CA 2.020 54.101 52.037 0.074 0.000 0.624 202 A CB -0.865 18.199 19.000 0.107 0.000 0.822 202 A HN 0.632 nan 8.150 nan 0.000 0.444 203 N N 0.100 118.779 118.700 -0.036 0.000 2.244 203 N HA -0.069 4.672 4.740 0.001 0.000 0.183 203 N C 1.903 177.344 175.510 -0.115 0.000 1.016 203 N CA 1.422 54.440 53.050 -0.053 0.000 0.866 203 N CB -0.344 38.109 38.487 -0.057 0.000 0.980 203 N HN 0.453 nan 8.380 nan 0.000 0.430 204 S N 0.794 116.343 115.700 -0.253 0.000 2.383 204 S HA -0.031 4.440 4.470 0.001 0.000 0.227 204 S C 1.053 175.492 174.600 -0.268 0.000 1.026 204 S CA 0.164 58.071 58.200 -0.488 0.000 0.981 204 S CB -0.057 62.422 63.200 -1.200 0.000 0.818 204 S HN 0.176 nan 8.310 nan 0.000 0.472 208 R N 0.719 121.330 120.500 0.185 0.000 2.091 208 R HA -0.078 4.262 4.340 0.001 0.000 0.238 208 R C 2.000 178.380 176.300 0.133 0.000 1.136 208 R CA 2.514 58.730 56.100 0.194 0.000 0.959 208 R CB -0.410 30.060 30.300 0.282 0.000 0.856 208 R HN 0.569 nan 8.270 nan 0.000 0.437 209 I N 1.059 121.701 120.570 0.120 0.000 2.252 209 I HA -0.239 3.931 4.170 0.001 0.000 0.245 209 I C 2.444 178.677 176.117 0.194 0.000 1.102 209 I CA 1.226 62.616 61.300 0.151 0.000 1.385 209 I CB -0.248 37.768 38.000 0.026 0.000 1.064 209 I HN 0.168 nan 8.210 nan 0.000 0.414 210 V N -1.685 118.315 119.914 0.142 0.000 2.343 210 V HA -0.169 3.952 4.120 0.001 0.000 0.247 210 V C 2.280 178.462 176.094 0.147 0.000 1.051 210 V CA 1.479 63.871 62.300 0.154 0.000 1.036 210 V CB -1.074 30.833 31.823 0.140 0.000 0.654 210 V HN 0.220 nan 8.190 nan 0.000 0.451 211 V N 0.658 120.650 119.914 0.130 0.000 2.515 211 V HA -0.173 3.948 4.120 0.001 0.000 0.250 211 V C 2.850 179.044 176.094 0.165 0.000 1.058 211 V CA 2.373 64.769 62.300 0.161 0.000 1.064 211 V CB -0.977 30.922 31.823 0.127 0.000 0.675 211 V HN 0.607 nan 8.190 nan 0.000 0.461 212 R N 0.887 121.437 120.500 0.084 0.000 2.120 212 R HA -0.121 4.219 4.340 0.001 0.000 0.234 212 R C 1.898 178.145 176.300 -0.088 0.000 1.123 212 R CA 1.931 58.005 56.100 -0.043 0.000 0.975 212 R CB -0.284 30.013 30.300 -0.006 0.000 0.866 212 R HN 0.547 nan 8.270 nan 0.000 0.446 213 V N -1.245 118.674 119.914 0.009 0.000 3.621 213 V HA 0.139 4.259 4.120 0.001 0.000 0.285 213 V C 1.762 177.796 176.094 -0.100 0.000 1.346 213 V CA 0.794 63.040 62.300 -0.090 0.000 1.104 213 V CB -0.317 31.579 31.823 0.122 0.000 0.913 213 V HN 0.514 nan 8.190 nan 0.000 0.432 214 H N 0.062 119.063 119.070 -0.116 0.000 2.387 214 H HA -0.109 4.447 4.556 0.001 0.000 0.299 214 H C 1.690 176.860 175.328 -0.264 0.000 1.099 214 H CA 2.369 58.299 56.048 -0.197 0.000 1.315 214 H CB -0.862 28.730 29.762 -0.284 0.000 1.380 214 H HN 0.412 nan 8.280 nan 0.000 0.513 215 F N 0.263 119.716 119.950 -0.828 0.000 2.146 215 F HA -0.068 4.460 4.527 0.001 0.000 0.298 215 F C 2.145 177.728 175.800 -0.361 0.000 1.096 215 F CA 0.492 58.123 58.000 -0.615 0.000 1.275 215 F CB 0.048 38.656 39.000 -0.653 0.000 1.008 215 F HN 0.208 nan 8.300 nan 0.000 0.480 216 I N -1.100 119.338 120.570 -0.220 0.000 2.406 216 I HA -0.103 4.067 4.170 0.001 0.000 0.249 216 I C 0.242 176.268 176.117 -0.151 0.000 1.122 216 I CA 1.384 62.502 61.300 -0.304 0.000 1.431 216 I CB -0.610 36.937 38.000 -0.755 0.000 1.087 216 I HN 0.048 nan 8.210 nan 0.000 0.424 217 D N 0.477 120.825 120.400 -0.088 0.000 2.381 217 D HA 0.043 4.684 4.640 0.001 0.000 0.245 217 D C 0.867 177.211 176.300 0.074 0.000 1.297 217 D CA -0.044 53.992 54.000 0.060 0.000 0.931 217 D CB 1.056 41.981 40.800 0.208 0.000 1.334 217 D HN 0.151 nan 8.370 nan 0.000 0.535 218 E N 0.965 121.197 120.200 0.053 0.000 2.153 218 E HA -0.145 4.205 4.350 0.001 0.000 0.194 218 E C 1.017 177.667 176.600 0.084 0.000 0.988 218 E CA 1.242 57.682 56.400 0.066 0.000 0.811 218 E CB 0.533 30.265 29.700 0.052 0.000 0.746 218 E HN 0.324 nan 8.360 nan 0.000 0.466 219 T N 1.269 115.876 114.554 0.089 0.000 2.708 219 T HA -0.182 4.169 4.350 0.001 0.000 0.266 219 T C 1.731 176.506 174.700 0.125 0.000 1.037 219 T CA 1.220 63.375 62.100 0.092 0.000 1.146 219 T CB -0.285 68.635 68.868 0.088 0.000 0.865 219 T HN 0.138 nan 8.240 nan 0.000 0.435 220 L N 1.495 122.819 121.223 0.169 0.000 2.017 220 L HA 0.024 4.364 4.340 0.001 0.000 0.208 220 L C 2.642 179.671 176.870 0.265 0.000 1.073 220 L CA 2.045 57.032 54.840 0.244 0.000 0.745 220 L CB -1.151 41.074 42.059 0.276 0.000 0.894 220 L HN 0.234 nan 8.230 nan 0.000 0.432 221 A N -0.482 122.459 122.820 0.201 0.000 1.892 221 A HA -0.291 4.029 4.320 0.001 0.000 0.218 221 A C 2.324 179.999 177.584 0.151 0.000 1.188 221 A CA 2.336 54.479 52.037 0.177 0.000 0.631 221 A CB -0.610 18.473 19.000 0.138 0.000 0.822 221 A HN 0.561 nan 8.150 nan 0.000 0.447 222 K N -0.739 119.726 120.400 0.109 0.000 2.148 222 K HA -0.138 4.182 4.320 0.001 0.000 0.204 222 K C 2.013 178.641 176.600 0.047 0.000 1.050 222 K CA 1.263 57.590 56.287 0.066 0.000 0.942 222 K CB -0.119 32.408 32.500 0.045 0.000 0.724 222 K HN 0.713 nan 8.250 nan 0.000 0.446 223 E N -0.281 119.956 120.200 0.062 0.000 2.265 223 E HA -0.192 4.158 4.350 0.001 0.000 0.196 223 E C 0.645 177.068 176.600 -0.294 0.000 0.996 223 E CA 1.222 57.569 56.400 -0.088 0.000 0.832 223 E CB 0.199 29.873 29.700 -0.044 0.000 0.756 223 E HN 0.408 nan 8.360 nan 0.000 0.491 224 Y N -1.581 118.746 120.300 0.044 0.000 2.441 224 Y HA 0.215 4.766 4.550 0.001 0.000 0.266 224 Y C 1.563 177.478 175.900 0.025 0.000 1.093 224 Y CA -0.390 57.732 58.100 0.037 0.000 1.246 224 Y CB 0.209 38.698 38.460 0.049 0.000 1.262 224 Y HN -0.015 nan 8.280 nan 0.000 0.518 225 I N -0.009 120.658 120.570 0.162 0.000 2.361 225 I HA -0.288 3.882 4.170 0.001 0.000 0.251 225 I C 1.744 177.886 176.117 0.041 0.000 1.133 225 I CA 1.616 62.969 61.300 0.087 0.000 1.413 225 I CB 0.114 38.147 38.000 0.056 0.000 1.073 225 I HN 0.193 nan 8.210 nan 0.000 0.424 226 T N 0.770 115.340 114.554 0.027 0.000 2.857 226 T HA -0.124 4.227 4.350 0.001 0.000 0.266 226 T C 1.811 176.512 174.700 0.002 0.000 1.048 226 T CA 1.082 63.184 62.100 0.005 0.000 1.139 226 T CB -0.045 68.819 68.868 -0.006 0.000 0.874 226 T HN 0.368 nan 8.240 nan 0.000 0.455 227 K N 1.244 121.649 120.400 0.009 0.000 2.155 227 K HA 0.131 4.451 4.320 0.001 0.000 0.203 227 K C 2.623 179.241 176.600 0.029 0.000 1.052 227 K CA 0.984 57.278 56.287 0.012 0.000 0.948 227 K CB -0.173 32.331 32.500 0.008 0.000 0.728 227 K HN 0.262 nan 8.250 nan 0.000 0.448 228 A N 1.424 124.273 122.820 0.047 0.000 1.930 228 A HA -0.069 4.252 4.320 0.001 0.000 0.217 228 A C 1.996 179.572 177.584 -0.014 0.000 1.175 228 A CA 1.117 53.170 52.037 0.026 0.000 0.627 228 A CB -0.380 18.642 19.000 0.036 0.000 0.815 228 A HN 0.152 nan 8.150 nan 0.000 0.443 229 L N -0.323 120.888 121.223 -0.020 0.000 2.529 229 L HA 0.054 4.395 4.340 0.001 0.000 0.223 229 L C 0.393 177.246 176.870 -0.029 0.000 1.113 229 L CA -0.185 54.630 54.840 -0.041 0.000 0.861 229 L CB -0.228 41.799 42.059 -0.052 0.000 1.012 229 L HN 0.258 nan 8.230 nan 0.000 0.461 230 D N 1.399 121.789 120.400 -0.017 0.000 2.412 230 D HA 0.002 4.642 4.640 0.001 0.000 0.257 230 D C -1.556 174.734 176.300 -0.016 0.000 1.217 230 D CA -1.471 52.521 54.000 -0.013 0.000 0.897 230 D CB 1.636 42.430 40.800 -0.009 0.000 1.132 230 D HN -0.084 nan 8.370 nan 0.000 0.493 231 P HA -0.199 nan 4.420 nan 0.000 0.217 231 P C 1.081 178.371 177.300 -0.017 0.000 1.151 231 P CA 1.818 64.907 63.100 -0.017 0.000 0.849 231 P CB 0.026 31.719 31.700 -0.012 0.000 0.787 232 K N -0.713 119.680 120.400 -0.012 0.000 2.442 232 K HA -0.066 4.254 4.320 0.001 0.000 0.198 232 K C 1.147 177.741 176.600 -0.012 0.000 1.042 232 K CA 1.432 57.712 56.287 -0.011 0.000 0.958 232 K CB -0.771 31.724 32.500 -0.008 0.000 0.766 232 K HN 0.187 nan 8.250 nan 0.000 0.474 233 N N -0.109 118.584 118.700 -0.012 0.000 2.336 233 N HA 0.089 4.830 4.740 0.001 0.000 0.189 233 N C 0.458 175.958 175.510 -0.016 0.000 1.113 233 N CA 0.198 53.242 53.050 -0.009 0.000 0.858 233 N CB 0.906 39.392 38.487 -0.001 0.000 0.970 233 N HN 0.498 nan 8.380 nan 0.000 0.471 234 G N 0.042 108.827 108.800 -0.025 0.000 2.253 234 G HA2 -0.099 3.861 3.960 0.001 0.000 0.209 234 G HA3 -0.099 3.861 3.960 0.001 0.000 0.209 234 G C 0.469 175.339 174.900 -0.051 0.000 0.997 234 G CA -0.291 44.788 45.100 -0.036 0.000 0.640 234 G HN 0.683 nan 8.290 nan 0.000 0.496 235 G N -1.699 107.071 108.800 -0.050 0.000 2.828 235 G HA2 0.344 4.305 3.960 0.001 0.000 0.463 235 G HA3 0.344 4.305 3.960 0.001 0.000 0.463 235 G C 0.325 175.169 174.900 -0.092 0.000 1.394 235 G CA 0.738 45.798 45.100 -0.067 0.000 0.862 235 G HN 2.012 nan 8.290 nan 0.000 0.540 236 V N -2.091 117.753 119.914 -0.118 0.000 3.204 236 V HA 0.812 4.932 4.120 0.001 0.000 0.316 236 V C 1.156 177.152 176.094 -0.164 0.000 1.160 236 V CA -1.315 60.887 62.300 -0.164 0.000 1.044 236 V CB 1.659 33.371 31.823 -0.186 0.000 1.136 236 V HN 1.002 nan 8.190 nan 0.000 0.455 237 I N 1.519 121.969 120.570 -0.199 0.000 2.483 237 I HA 0.195 4.366 4.170 0.001 0.000 0.291 237 I C 0.952 177.022 176.117 -0.079 0.000 1.112 237 I CA 0.592 61.823 61.300 -0.116 0.000 1.350 237 I CB 0.176 38.126 38.000 -0.083 0.000 1.419 237 I HN 0.812 nan 8.210 nan 0.000 0.523 238 E N 3.650 123.821 120.200 -0.049 0.000 2.514 238 E HA 0.122 4.473 4.350 0.001 0.000 0.215 238 E C -0.436 176.251 176.600 0.145 0.000 0.946 238 E CA -0.010 56.382 56.400 -0.014 0.000 1.038 238 E CB 0.827 30.504 29.700 -0.038 0.000 1.069 238 E HN 0.602 nan 8.360 nan 0.000 0.503 239 D N 0.257 120.710 120.400 0.087 0.000 2.457 239 D HA 0.239 4.880 4.640 0.001 0.000 0.240 239 D C 1.110 177.460 176.300 0.084 0.000 1.041 239 D CA -0.495 53.558 54.000 0.088 0.000 0.861 239 D CB 2.192 43.020 40.800 0.046 0.000 1.394 239 D HN -0.112 nan 8.370 nan 0.000 0.473 240 I N 0.757 121.375 120.570 0.080 0.000 2.335 240 I HA -0.295 3.876 4.170 0.001 0.000 0.251 240 I C 2.405 178.565 176.117 0.071 0.000 1.129 240 I CA 1.141 62.487 61.300 0.077 0.000 1.402 240 I CB -0.230 37.805 38.000 0.058 0.000 1.069 240 I HN 0.314 nan 8.210 nan 0.000 0.424 241 S N -0.806 114.924 115.700 0.051 0.000 2.474 241 S HA -0.077 4.394 4.470 0.001 0.000 0.235 241 S C 1.760 176.387 174.600 0.044 0.000 0.997 241 S CA 1.099 59.323 58.200 0.040 0.000 0.949 241 S CB -0.232 62.979 63.200 0.019 0.000 0.766 241 S HN 0.319 nan 8.310 nan 0.000 0.517 242 S N 1.599 117.323 115.700 0.040 0.000 2.556 242 S HA 0.140 4.611 4.470 0.001 0.000 0.216 242 S C 0.426 175.116 174.600 0.149 0.000 0.970 242 S CA -0.457 57.753 58.200 0.017 0.000 0.912 242 S CB -0.162 62.998 63.200 -0.067 0.000 0.790 242 S HN 0.855 nan 8.310 nan 0.000 0.504 243 E N 1.445 121.743 120.200 0.164 0.000 2.418 243 E HA 0.367 4.718 4.350 0.001 0.000 0.261 243 E C -0.317 176.380 176.600 0.163 0.000 1.070 243 E CA -0.313 56.205 56.400 0.196 0.000 0.931 243 E CB 0.472 30.279 29.700 0.177 0.000 0.954 243 E HN 0.123 nan 8.360 nan 0.000 0.439 244 A N 3.345 126.233 122.820 0.113 0.000 2.253 244 A HA 0.416 4.737 4.320 0.001 0.000 0.316 244 A C -0.482 176.948 177.584 -0.257 0.000 1.327 244 A CA -0.703 51.199 52.037 -0.226 0.000 0.917 244 A CB 0.230 19.209 19.000 -0.035 0.000 1.162 244 A HN 0.679 nan 8.150 nan 0.000 0.535 245 K N 1.798 121.886 120.400 -0.519 0.000 2.536 245 K HA 0.780 5.101 4.320 0.001 0.000 0.269 245 K C -1.634 174.551 176.600 -0.692 0.000 0.965 245 K CA -0.705 55.260 56.287 -0.537 0.000 0.860 245 K CB 1.866 34.178 32.500 -0.313 0.000 1.423 245 K HN 0.493 nan 8.250 nan 0.000 0.438 246 I N 1.785 121.979 120.570 -0.627 0.000 2.498 246 I HA 0.473 4.644 4.170 0.001 0.000 0.290 246 I C -1.625 174.297 176.117 -0.324 0.000 1.032 246 I CA -0.436 60.580 61.300 -0.474 0.000 1.073 246 I CB 1.522 39.266 38.000 -0.426 0.000 1.251 246 I HN 0.898 nan 8.210 nan 0.000 0.426 247 K N 3.652 123.906 120.400 -0.244 0.000 2.533 247 K HA 0.428 4.748 4.320 0.001 0.000 0.284 247 K C -1.012 175.513 176.600 -0.127 0.000 1.025 247 K CA -0.816 55.362 56.287 -0.181 0.000 0.900 247 K CB 1.418 33.810 32.500 -0.180 0.000 1.519 247 K HN 0.366 nan 8.250 nan 0.000 0.432 248 S N 0.392 116.034 115.700 -0.095 0.000 2.558 248 S HA 0.272 4.743 4.470 0.001 0.000 0.288 248 S C -0.364 174.199 174.600 -0.062 0.000 1.318 248 S CA 0.494 58.654 58.200 -0.068 0.000 1.056 248 S CB -0.246 62.922 63.200 -0.053 0.000 0.853 248 S HN 0.768 nan 8.310 nan 0.000 0.505 249 S N 2.640 118.311 115.700 -0.048 0.000 2.643 249 S HA 0.392 4.863 4.470 0.001 0.000 0.270 249 S C -0.129 174.454 174.600 -0.027 0.000 1.166 249 S CA -0.816 57.360 58.200 -0.040 0.000 0.815 249 S CB 0.711 63.883 63.200 -0.046 0.000 1.139 249 S HN 0.540 nan 8.310 nan 0.000 0.472 250 D N 0.853 121.239 120.400 -0.023 0.000 2.219 250 D HA 0.039 4.679 4.640 0.001 0.000 0.205 250 D C 0.634 176.925 176.300 -0.014 0.000 0.970 250 D CA 1.105 55.095 54.000 -0.017 0.000 0.851 250 D CB -0.101 40.689 40.800 -0.017 0.000 0.943 250 D HN 0.455 nan 8.370 nan 0.000 0.488 254 L N 1.393 122.597 121.223 -0.032 0.000 2.393 254 L HA 0.689 5.030 4.340 0.001 0.000 0.260 254 L C -1.205 175.641 176.870 -0.041 0.000 1.002 254 L CA -1.122 53.696 54.840 -0.037 0.000 0.818 254 L CB 2.359 44.388 42.059 -0.051 0.000 1.369 254 L HN 0.315 nan 8.230 nan 0.000 0.412 255 L N 2.558 123.758 121.223 -0.039 0.000 2.305 255 L HA 0.420 4.761 4.340 0.001 0.000 0.284 255 L C -0.005 176.835 176.870 -0.051 0.000 1.013 255 L CA -0.052 54.762 54.840 -0.042 0.000 0.819 255 L CB 1.315 43.352 42.059 -0.037 0.000 1.227 255 L HN 0.524 nan 8.230 nan 0.000 0.417 256 N N 2.927 121.592 118.700 -0.059 0.000 2.411 256 N HA -0.029 4.712 4.740 0.001 0.000 0.265 256 N C -0.108 175.364 175.510 -0.064 0.000 1.266 256 N CA 0.477 53.487 53.050 -0.068 0.000 0.889 256 N CB 0.626 39.071 38.487 -0.071 0.000 1.069 256 N HN 0.857 nan 8.380 nan 0.000 0.476 260 A N 0.143 122.845 122.820 -0.197 0.000 1.851 260 A HA -0.239 4.082 4.320 0.001 0.000 0.216 260 A C 2.300 179.618 177.584 -0.444 0.000 1.195 260 A CA 2.748 54.547 52.037 -0.397 0.000 0.622 260 A CB -0.705 18.083 19.000 -0.352 0.000 0.831 260 A HN 0.329 nan 8.150 nan 0.000 0.444 261 S N -1.272 114.341 115.700 -0.145 0.000 2.428 261 S HA -0.049 4.421 4.470 0.001 0.000 0.230 261 S C 1.811 176.415 174.600 0.007 0.000 1.014 261 S CA 1.271 59.510 58.200 0.066 0.000 0.957 261 S CB -0.369 62.896 63.200 0.107 0.000 0.784 261 S HN 0.267 nan 8.310 nan 0.000 0.499 262 V N 2.122 122.000 119.914 -0.059 0.000 2.346 262 V HA 0.007 4.128 4.120 0.001 0.000 0.244 262 V C 2.015 178.080 176.094 -0.050 0.000 1.037 262 V CA 1.565 63.842 62.300 -0.039 0.000 1.029 262 V CB -0.454 31.352 31.823 -0.029 0.000 0.663 262 V HN 0.484 nan 8.190 nan 0.000 0.454 263 N N -1.038 117.613 118.700 -0.081 0.000 2.510 263 N HA 0.011 4.752 4.740 0.001 0.000 0.186 263 N C 1.762 177.211 175.510 -0.101 0.000 1.051 263 N CA 0.406 53.408 53.050 -0.081 0.000 0.877 263 N CB 0.119 38.566 38.487 -0.067 0.000 1.183 263 N HN 0.368 nan 8.380 nan 0.000 0.443 264 E N 0.465 120.557 120.200 -0.181 0.000 2.051 264 E HA -0.021 4.329 4.350 0.001 0.000 0.189 264 E C 1.181 177.737 176.600 -0.072 0.000 0.979 264 E CA 1.040 57.313 56.400 -0.212 0.000 0.803 264 E CB -0.251 29.185 29.700 -0.440 0.000 0.761 264 E HN 0.411 nan 8.360 nan 0.000 0.451 265 Y N 0.254 120.547 120.300 -0.012 0.000 2.510 265 Y HA 0.181 4.731 4.550 0.001 0.000 0.273 265 Y C 0.325 176.195 175.900 -0.050 0.000 1.119 265 Y CA -0.322 57.771 58.100 -0.012 0.000 1.286 265 Y CB -0.652 37.830 38.460 0.037 0.000 1.061 265 Y HN 0.027 nan 8.280 nan 0.000 0.542 266 N N 0.701 119.437 118.700 0.060 0.000 2.740 266 N HA -0.226 4.515 4.740 0.001 0.000 0.248 266 N C 0.396 175.889 175.510 -0.029 0.000 1.062 266 N CA 0.830 53.859 53.050 -0.035 0.000 0.704 266 N CB -0.863 37.559 38.487 -0.107 0.000 0.968 266 N HN 0.554 nan 8.380 nan 0.000 0.547 267 E N -1.456 118.775 120.200 0.052 0.000 2.330 267 E HA 0.060 4.411 4.350 0.001 0.000 0.200 267 E C -0.098 176.551 176.600 0.082 0.000 0.922 267 E CA 0.456 56.889 56.400 0.055 0.000 0.935 267 E CB 0.545 30.357 29.700 0.186 0.000 0.917 267 E HN 0.165 nan 8.360 nan 0.000 0.491 268 T N 2.532 117.127 114.554 0.067 0.000 2.743 268 T HA 0.343 4.694 4.350 0.001 0.000 0.293 268 T C -0.058 174.687 174.700 0.075 0.000 0.945 268 T CA -0.429 61.696 62.100 0.041 0.000 1.030 268 T CB 0.859 69.660 68.868 -0.112 0.000 0.912 268 T HN -0.078 nan 8.240 nan 0.000 0.483 272 A N 0.060 122.980 122.820 0.167 0.000 1.929 272 A HA 0.161 4.482 4.320 0.001 0.000 0.216 272 A C 2.391 180.182 177.584 0.344 0.000 1.176 272 A CA 2.762 54.948 52.037 0.247 0.000 0.628 272 A CB -0.745 18.328 19.000 0.123 0.000 0.816 272 A HN 0.773 nan 8.150 nan 0.000 0.444 273 T N 0.072 114.795 114.554 0.281 0.000 2.674 273 T HA -0.105 4.246 4.350 0.001 0.000 0.265 273 T C 1.864 176.823 174.700 0.433 0.000 1.039 273 T CA 1.421 63.706 62.100 0.308 0.000 1.150 273 T CB -0.354 68.701 68.868 0.312 0.000 0.864 273 T HN 0.430 nan 8.240 nan 0.000 0.427 274 I N -0.282 120.594 120.570 0.509 0.000 2.286 274 I HA -0.163 4.007 4.170 0.001 0.000 0.248 274 I C 2.267 178.584 176.117 0.334 0.000 1.115 274 I CA 1.378 62.998 61.300 0.534 0.000 1.392 274 I CB -0.073 38.168 38.000 0.401 0.000 1.065 274 I HN 0.459 nan 8.210 nan 0.000 0.418 275 W N 1.614 122.968 121.300 0.089 0.000 2.355 275 W HA -0.116 4.545 4.660 0.001 0.000 0.309 275 W C 2.259 178.794 176.519 0.027 0.000 1.206 275 W CA 1.899 59.256 57.345 0.020 0.000 1.284 275 W CB -0.948 28.509 29.460 -0.004 0.000 1.145 275 W HN 0.119 nan 8.180 nan 0.000 0.502 276 G N -0.427 108.297 108.800 -0.127 0.000 2.476 276 G HA2 -0.372 3.589 3.960 0.001 0.000 0.218 276 G HA3 -0.372 3.589 3.960 0.001 0.000 0.218 276 G C 1.230 175.732 174.900 -0.664 0.000 1.164 276 G CA 1.464 46.237 45.100 -0.545 0.000 0.768 276 G HN 0.396 nan 8.290 nan 0.000 0.560 277 Y N 0.429 120.520 120.300 -0.349 0.000 2.184 277 Y HA 0.108 4.659 4.550 0.001 0.000 0.290 277 Y C 2.861 178.473 175.900 -0.480 0.000 1.129 277 Y CA 0.729 58.487 58.100 -0.571 0.000 1.144 277 Y CB -0.444 37.820 38.460 -0.327 0.000 0.995 277 Y HN 0.049 nan 8.280 nan 0.000 0.513 278 L N -0.318 120.853 121.223 -0.086 0.000 2.042 278 L HA -0.246 4.095 4.340 0.001 0.000 0.210 278 L C 2.050 178.812 176.870 -0.181 0.000 1.076 278 L CA 1.940 56.746 54.840 -0.058 0.000 0.749 278 L CB -0.537 41.495 42.059 -0.046 0.000 0.893 278 L HN 0.232 nan 8.230 nan 0.000 0.432 279 D N -0.060 120.058 120.400 -0.470 0.000 2.077 279 D HA -0.135 4.506 4.640 0.001 0.000 0.196 279 D C 2.184 178.325 176.300 -0.266 0.000 0.986 279 D CA 1.389 55.109 54.000 -0.465 0.000 0.829 279 D CB -0.150 40.068 40.800 -0.971 0.000 0.983 279 D HN 0.156 nan 8.370 nan 0.000 0.453 280 G N -1.060 107.532 108.800 -0.348 0.000 2.442 280 G HA2 -0.267 3.693 3.960 0.001 0.000 0.219 280 G HA3 -0.267 3.693 3.960 0.001 0.000 0.219 280 G C 1.304 176.254 174.900 0.084 0.000 1.141 280 G CA 0.667 45.666 45.100 -0.168 0.000 0.763 280 G HN 0.459 nan 8.290 nan 0.000 0.554 281 Y N 0.045 120.340 120.300 -0.008 0.000 2.529 281 Y HA 0.138 4.688 4.550 0.001 0.000 0.290 281 Y C 0.939 176.902 175.900 0.104 0.000 1.177 281 Y CA -0.166 57.960 58.100 0.043 0.000 1.305 281 Y CB 0.197 38.761 38.460 0.172 0.000 1.047 281 Y HN 0.083 nan 8.280 nan 0.000 0.522 282 K N 1.505 122.028 120.400 0.205 0.000 3.077 282 K HA -0.227 4.094 4.320 0.001 0.000 0.264 282 K C -0.763 175.984 176.600 0.246 0.000 1.008 282 K CA 0.613 56.993 56.287 0.155 0.000 0.740 282 K CB -1.096 31.482 32.500 0.131 0.000 1.273 282 K HN 0.273 nan 8.250 nan 0.000 0.477 283 D N 1.066 121.619 120.400 0.254 0.000 2.343 283 D HA 0.050 4.690 4.640 0.001 0.000 0.255 283 D C -0.920 175.299 176.300 -0.136 0.000 1.187 283 D CA -1.893 52.203 54.000 0.159 0.000 0.875 283 D CB 1.105 42.002 40.800 0.163 0.000 1.136 283 D HN 0.073 nan 8.370 nan 0.000 0.469 284 P HA -0.047 nan 4.420 nan 0.000 0.230 284 P C 0.881 177.892 177.300 -0.482 0.000 1.158 284 P CA 0.410 63.312 63.100 -0.330 0.000 0.769 284 P CB 0.390 31.892 31.700 -0.330 0.000 0.807 285 R N -0.747 119.354 120.500 -0.665 0.000 2.316 285 R HA 0.001 4.342 4.340 0.001 0.000 0.202 285 R C 2.149 177.992 176.300 -0.762 0.000 1.029 285 R CA 0.064 55.643 56.100 -0.869 0.000 1.018 285 R CB -0.703 28.926 30.300 -1.118 0.000 0.888 285 R HN 0.153 nan 8.270 nan 0.000 0.471 286 L N 0.833 121.789 121.223 -0.445 0.000 1.989 286 L HA -0.190 4.150 4.340 0.001 0.000 0.211 286 L C 2.070 178.800 176.870 -0.234 0.000 1.071 286 L CA 2.274 56.933 54.840 -0.303 0.000 0.749 286 L CB -0.613 41.217 42.059 -0.382 0.000 0.890 286 L HN 0.132 nan 8.230 nan 0.000 0.431 287 S N -1.157 114.419 115.700 -0.207 0.000 2.522 287 S HA 0.116 4.587 4.470 0.001 0.000 0.227 287 S C 1.911 176.487 174.600 -0.039 0.000 0.986 287 S CA 0.412 58.611 58.200 -0.000 0.000 0.929 287 S CB -0.548 62.686 63.200 0.057 0.000 0.769 287 S HN 0.493 nan 8.310 nan 0.000 0.529 288 A N 0.473 123.175 122.820 -0.196 0.000 1.975 288 A HA 0.216 4.537 4.320 0.001 0.000 0.215 288 A C 1.855 179.401 177.584 -0.063 0.000 1.170 288 A CA 0.673 52.605 52.037 -0.175 0.000 0.656 288 A CB -0.617 18.184 19.000 -0.333 0.000 0.821 288 A HN 0.552 nan 8.150 nan 0.000 0.449 289 Y N -1.577 118.525 120.300 -0.330 0.000 2.301 289 Y HA 0.325 4.876 4.550 0.001 0.000 0.295 289 Y C 0.365 175.760 175.900 -0.841 0.000 1.119 289 Y CA -0.685 56.988 58.100 -0.711 0.000 1.162 289 Y CB -0.388 37.264 38.460 -1.347 0.000 1.046 289 Y HN 0.221 nan 8.280 nan 0.000 0.538 290 F N -1.013 119.050 119.950 0.189 0.000 2.611 290 F HA 0.494 5.022 4.527 0.001 0.000 0.324 290 F C 0.472 176.441 175.800 0.281 0.000 1.061 290 F CA -1.469 56.668 58.000 0.228 0.000 0.954 290 F CB 1.167 40.316 39.000 0.249 0.000 1.301 290 F HN -0.367 nan 8.300 nan 0.000 0.482 291 T N -2.411 112.397 114.554 0.423 0.000 2.912 291 T HA 0.450 4.801 4.350 0.001 0.000 0.280 291 T C -0.442 174.318 174.700 0.100 0.000 0.989 291 T CA -0.898 61.340 62.100 0.230 0.000 0.995 291 T CB 1.297 70.245 68.868 0.134 0.000 1.077 291 T HN 0.580 nan 8.240 nan 0.000 0.531 292 E N -0.141 119.941 120.200 -0.196 0.000 2.301 292 E HA 0.499 4.849 4.350 0.001 0.000 0.275 292 E C 0.432 176.839 176.600 -0.322 0.000 1.030 292 E CA -0.708 55.349 56.400 -0.572 0.000 0.852 292 E CB 1.043 30.348 29.700 -0.659 0.000 1.060 292 E HN 0.825 nan 8.360 nan 0.000 0.401 293 G N 0.739 109.272 108.800 -0.444 0.000 2.531 293 G HA2 0.480 4.441 3.960 0.001 0.000 0.313 293 G HA3 0.480 4.441 3.960 0.001 0.000 0.313 293 G C -0.673 174.182 174.900 -0.075 0.000 1.238 293 G CA -0.415 44.599 45.100 -0.143 0.000 0.994 293 G HN 0.480 nan 8.290 nan 0.000 0.493 294 T N -2.907 111.815 114.554 0.281 0.000 2.876 294 T HA 0.548 4.899 4.350 0.001 0.000 0.289 294 T C -1.604 173.381 174.700 0.474 0.000 1.014 294 T CA -0.651 61.640 62.100 0.319 0.000 0.986 294 T CB 1.892 70.794 68.868 0.057 0.000 1.021 294 T HN 0.498 nan 8.240 nan 0.000 0.458 295 Y N 1.933 122.386 120.300 0.256 0.000 2.338 295 Y HA 0.578 5.129 4.550 0.001 0.000 0.328 295 Y C 0.542 176.411 175.900 -0.051 0.000 0.965 295 Y CA 0.604 58.760 58.100 0.092 0.000 1.208 295 Y CB 0.706 39.124 38.460 -0.071 0.000 1.132 295 Y HN 1.501 nan 8.280 nan 0.000 0.469 296 G N 3.078 111.471 108.800 -0.679 0.000 2.660 296 G HA2 0.214 4.175 3.960 0.001 0.000 0.215 296 G HA3 0.214 4.175 3.960 0.001 0.000 0.215 296 G C -0.850 173.675 174.900 -0.625 0.000 1.345 296 G CA -0.330 44.260 45.100 -0.850 0.000 0.877 296 G HN 1.523 nan 8.290 nan 0.000 0.549 297 S N -1.783 113.442 115.700 -0.791 0.000 2.688 297 S HA 0.995 5.466 4.470 0.001 0.000 0.275 297 S C 1.075 174.715 174.600 -1.600 0.000 1.175 297 S CA 0.593 58.265 58.200 -0.880 0.000 0.818 297 S CB 1.243 64.094 63.200 -0.582 0.000 1.157 297 S HN 3.120 nan 8.310 nan 0.000 0.482 298 G N 1.559 109.721 108.800 -1.063 0.000 2.552 298 G HA2 -0.263 3.697 3.960 0.001 0.000 0.265 298 G HA3 -0.263 3.697 3.960 0.001 0.000 0.265 298 G C 0.838 175.325 174.900 -0.688 0.000 1.234 298 G CA 1.099 45.600 45.100 -0.998 0.000 0.944 298 G HN 2.204 nan 8.290 nan 0.000 0.568 299 S N -0.841 114.628 115.700 -0.386 0.000 2.603 299 S HA 0.126 4.597 4.470 0.001 0.000 0.220 299 S C 1.544 176.162 174.600 0.031 0.000 0.967 299 S CA 1.461 59.607 58.200 -0.091 0.000 0.920 299 S CB -0.388 62.850 63.200 0.063 0.000 0.773 299 S HN 1.556 nan 8.310 nan 0.000 0.529 300 W N 0.864 122.164 121.300 -0.000 0.000 3.127 300 W HA 0.737 5.398 4.660 0.001 0.000 0.344 300 W C 0.330 176.869 176.519 0.033 0.000 1.151 300 W CA -0.754 56.604 57.345 0.022 0.000 1.765 300 W CB -0.379 29.098 29.460 0.028 0.000 1.085 300 W HN 0.235 nan 8.180 nan 0.000 0.596 301 A N 2.093 124.703 122.820 -0.349 0.000 2.445 301 A HA 0.343 4.664 4.320 0.001 0.000 0.242 301 A C 0.080 177.679 177.584 0.025 0.000 1.075 301 A CA 0.056 51.961 52.037 -0.219 0.000 0.777 301 A CB 0.239 19.029 19.000 -0.351 0.000 1.013 301 A HN 0.475 nan 8.150 nan 0.000 0.493 302 Q N 0.352 120.251 119.800 0.165 0.000 2.312 302 Q HA 0.531 4.872 4.340 0.001 0.000 0.263 302 Q C -0.889 175.329 176.000 0.364 0.000 0.995 302 Q CA -0.403 55.558 55.803 0.264 0.000 0.853 302 Q CB 2.163 31.086 28.738 0.309 0.000 1.300 302 Q HN 0.737 nan 8.270 nan 0.000 0.448 303 T N 0.708 115.419 114.554 0.262 0.000 2.887 303 T HA 0.856 5.206 4.350 0.001 0.000 0.288 303 T C -0.317 174.322 174.700 -0.102 0.000 1.021 303 T CA -0.361 61.780 62.100 0.068 0.000 1.000 303 T CB 1.689 70.534 68.868 -0.038 0.000 1.034 303 T HN 0.864 nan 8.240 nan 0.000 0.467 304 G N 0.870 109.252 108.800 -0.697 0.000 2.343 304 G HA2 0.304 4.265 3.960 0.001 0.000 0.289 304 G HA3 0.304 4.265 3.960 0.001 0.000 0.289 304 G C -2.192 171.949 174.900 -1.266 0.000 1.295 304 G CA -0.936 43.698 45.100 -0.776 0.000 0.869 304 G HN 0.517 nan 8.290 nan 0.000 0.522 305 Y N 0.951 121.010 120.300 -0.402 0.000 2.600 305 Y HA 0.539 5.089 4.550 0.001 0.000 0.351 305 Y C 0.135 175.895 175.900 -0.233 0.000 1.042 305 Y CA -0.201 57.766 58.100 -0.222 0.000 1.333 305 Y CB 0.159 38.727 38.460 0.180 0.000 1.172 305 Y HN 0.288 nan 8.280 nan 0.000 0.517 306 F N 5.977 125.899 119.950 -0.046 0.000 2.361 306 F HA 0.426 4.954 4.527 0.001 0.000 0.364 306 F C -2.182 173.572 175.800 -0.077 0.000 1.117 306 F CA -2.483 55.438 58.000 -0.131 0.000 1.071 306 F CB 1.288 40.298 39.000 0.018 0.000 1.188 306 F HN 0.289 nan 8.300 nan 0.000 0.464 307 P HA 0.337 nan 4.420 nan 0.000 0.283 307 P C -1.000 176.458 177.300 0.262 0.000 1.278 307 P CA -0.479 62.637 63.100 0.026 0.000 0.834 307 P CB 2.599 34.243 31.700 -0.093 0.000 1.150 308 V N 0.511 120.549 119.914 0.207 0.000 2.495 308 V HA 0.478 4.598 4.120 0.001 0.000 0.298 308 V C 0.721 176.911 176.094 0.160 0.000 1.031 308 V CA -0.930 61.532 62.300 0.269 0.000 0.871 308 V CB 0.996 32.866 31.823 0.080 0.000 0.988 308 V HN 0.795 nan 8.190 nan 0.000 0.432 309 A N 7.909 130.754 122.820 0.043 0.000 2.507 309 A HA 0.450 4.771 4.320 0.001 0.000 0.235 309 A C -2.022 175.439 177.584 -0.205 0.000 1.070 309 A CA -0.643 51.111 52.037 -0.471 0.000 0.768 309 A CB -0.296 17.965 19.000 -1.233 0.000 1.011 309 A HN 0.662 nan 8.150 nan 0.000 0.502 310 P HA 0.158 nan 4.420 nan 0.000 0.275 310 P C -0.306 177.041 177.300 0.078 0.000 1.228 310 P CA 0.439 63.559 63.100 0.034 0.000 0.786 310 P CB 0.246 31.993 31.700 0.078 0.000 0.927 311 T N -0.076 114.616 114.554 0.230 0.000 3.626 311 T HA -0.241 4.109 4.350 0.001 0.000 0.393 311 T C 0.448 175.245 174.700 0.161 0.000 0.765 311 T CA 0.744 63.004 62.100 0.266 0.000 2.006 311 T CB -2.283 66.732 68.868 0.244 0.000 1.739 311 T HN 0.720 nan 8.240 nan 0.000 0.720 312 N N 0.649 119.447 118.700 0.163 0.000 2.412 312 N HA 0.112 4.852 4.740 0.001 0.000 0.258 312 N C 1.334 176.956 175.510 0.187 0.000 1.236 312 N CA 0.367 53.497 53.050 0.134 0.000 0.882 312 N CB 0.422 38.980 38.487 0.119 0.000 1.066 312 N HN 0.544 nan 8.380 nan 0.000 0.465 313 S N 2.314 118.130 115.700 0.194 0.000 2.517 313 S HA 0.110 4.581 4.470 0.001 0.000 0.214 313 S C 0.319 175.044 174.600 0.208 0.000 0.991 313 S CA -0.011 58.371 58.200 0.303 0.000 0.906 313 S CB 0.296 63.647 63.200 0.251 0.000 0.789 313 S HN 0.411 nan 8.310 nan 0.000 0.513 314 K N 3.351 123.820 120.400 0.116 0.000 2.185 314 K HA 0.359 4.679 4.320 0.001 0.000 0.271 314 K C 0.556 177.115 176.600 -0.068 0.000 1.013 314 K CA -0.011 56.304 56.287 0.048 0.000 0.943 314 K CB 1.340 33.886 32.500 0.077 0.000 0.998 314 K HN 0.488 nan 8.250 nan 0.000 0.468 315 S N 0.998 116.638 115.700 -0.100 0.000 2.608 315 S HA 0.129 4.600 4.470 0.001 0.000 0.261 315 S C 0.274 174.769 174.600 -0.175 0.000 1.314 315 S CA -0.664 57.426 58.200 -0.183 0.000 0.992 315 S CB 0.943 64.054 63.200 -0.148 0.000 0.935 315 S HN 0.490 nan 8.310 nan 0.000 0.564 316 K N 0.201 120.455 120.400 -0.243 0.000 2.382 316 K HA 0.243 4.564 4.320 0.001 0.000 0.275 316 K C -0.310 176.213 176.600 -0.128 0.000 1.009 316 K CA -0.002 56.151 56.287 -0.222 0.000 0.970 316 K CB 0.347 32.677 32.500 -0.283 0.000 0.934 316 K HN 0.617 nan 8.250 nan 0.000 0.479 317 S N 2.355 117.997 115.700 -0.098 0.000 2.569 317 S HA 0.282 4.753 4.470 0.001 0.000 0.280 317 S C -0.843 173.740 174.600 -0.028 0.000 1.111 317 S CA -0.687 57.493 58.200 -0.034 0.000 0.887 317 S CB 1.461 64.672 63.200 0.019 0.000 1.095 317 S HN 0.748 nan 8.310 nan 0.000 0.476 318 E N 1.245 121.460 120.200 0.024 0.000 2.810 318 E HA 0.133 4.483 4.350 0.001 0.000 0.214 318 E C -0.045 176.681 176.600 0.209 0.000 0.980 318 E CA -0.141 56.291 56.400 0.053 0.000 1.159 318 E CB 1.032 30.743 29.700 0.019 0.000 1.047 318 E HN 0.767 nan 8.360 nan 0.000 0.484 319 T N -1.207 113.466 114.554 0.198 0.000 2.788 319 T HA 0.031 4.381 4.350 0.001 0.000 0.287 319 T C 1.587 176.431 174.700 0.241 0.000 1.007 319 T CA -0.014 62.205 62.100 0.197 0.000 1.005 319 T CB 1.511 70.486 68.868 0.177 0.000 1.012 319 T HN 0.009 nan 8.240 nan 0.000 0.530 320 S N -0.382 115.293 115.700 -0.042 0.000 2.507 320 S HA -0.080 4.391 4.470 0.001 0.000 0.235 320 S C 0.834 175.209 174.600 -0.375 0.000 0.988 320 S CA 0.308 58.271 58.200 -0.396 0.000 0.944 320 S CB -0.835 61.997 63.200 -0.614 0.000 0.762 320 S HN 0.778 nan 8.310 nan 0.000 0.526 321 Y N 2.466 122.785 120.300 0.031 0.000 2.584 321 Y HA 0.402 4.953 4.550 0.001 0.000 0.254 321 Y C 1.244 177.358 175.900 0.356 0.000 1.177 321 Y CA -0.542 57.544 58.100 -0.022 0.000 1.216 321 Y CB 0.013 38.338 38.460 -0.226 0.000 1.172 321 Y HN 0.414 nan 8.280 nan 0.000 0.529 322 S N -0.600 115.385 115.700 0.476 0.000 2.730 322 S HA 0.619 5.090 4.470 0.001 0.000 0.284 322 S C 1.472 176.176 174.600 0.173 0.000 1.153 322 S CA -0.259 58.165 58.200 0.372 0.000 0.995 322 S CB 1.638 64.951 63.200 0.189 0.000 1.058 322 S HN 0.180 nan 8.310 nan 0.000 0.552 323 A N 0.323 122.933 122.820 -0.351 0.000 2.178 323 A HA -0.040 4.280 4.320 0.001 0.000 0.218 323 A C 2.007 179.395 177.584 -0.327 0.000 1.157 323 A CA 1.558 53.154 52.037 -0.735 0.000 0.689 323 A CB -0.905 17.683 19.000 -0.686 0.000 0.787 323 A HN 0.940 nan 8.150 nan 0.000 0.465 324 K N -1.064 119.182 120.400 -0.256 0.000 2.209 324 K HA -0.101 4.220 4.320 0.001 0.000 0.204 324 K C 0.226 176.434 176.600 -0.652 0.000 1.048 324 K CA 1.389 57.400 56.287 -0.460 0.000 0.940 324 K CB -0.216 31.926 32.500 -0.597 0.000 0.729 324 K HN 0.464 nan 8.250 nan 0.000 0.451 325 F N 0.469 120.435 119.950 0.027 0.000 2.708 325 F HA 0.366 4.894 4.527 0.001 0.000 0.300 325 F C 0.586 176.483 175.800 0.162 0.000 1.118 325 F CA -0.755 57.295 58.000 0.083 0.000 1.307 325 F CB 0.446 39.501 39.000 0.091 0.000 0.986 325 F HN -0.023 nan 8.300 nan 0.000 0.522 326 A N -0.215 122.711 122.820 0.176 0.000 2.280 326 A HA 0.475 4.795 4.320 0.001 0.000 0.268 326 A C 0.764 178.433 177.584 0.141 0.000 1.111 326 A CA -0.370 51.812 52.037 0.242 0.000 0.814 326 A CB 0.038 19.036 19.000 -0.003 0.000 1.093 326 A HN 0.134 nan 8.150 nan 0.000 0.498 327 S N -0.013 115.756 115.700 0.115 0.000 2.558 327 S HA 0.253 4.723 4.470 0.001 0.000 0.288 327 S C 0.306 174.999 174.600 0.155 0.000 1.318 327 S CA 0.212 58.471 58.200 0.097 0.000 1.056 327 S CB 0.007 63.273 63.200 0.111 0.000 0.853 327 S HN 0.566 nan 8.310 nan 0.000 0.505 328 R N 2.214 122.853 120.500 0.231 0.000 2.803 328 R HA 0.464 4.805 4.340 0.001 0.000 0.276 328 R C -3.000 173.587 176.300 0.478 0.000 0.978 328 R CA -2.379 53.889 56.100 0.280 0.000 0.939 328 R CB 0.715 31.110 30.300 0.158 0.000 1.179 328 R HN 0.304 nan 8.270 nan 0.000 0.472 329 P HA 0.033 nan 4.420 nan 0.000 0.271 329 P C -0.928 176.509 177.300 0.228 0.000 1.216 329 P CA -0.021 63.360 63.100 0.469 0.000 0.771 329 P CB 0.561 32.547 31.700 0.477 0.000 0.864 330 K N 1.931 122.411 120.400 0.133 0.000 2.276 330 K HA 0.514 4.835 4.320 0.001 0.000 0.283 330 K C -0.555 176.089 176.600 0.073 0.000 1.044 330 K CA -0.298 56.048 56.287 0.097 0.000 0.944 330 K CB 0.727 33.273 32.500 0.077 0.000 1.012 330 K HN 0.235 nan 8.250 nan 0.000 0.472 331 V N 2.646 122.591 119.914 0.052 0.000 3.088 331 V HA 0.202 4.323 4.120 0.001 0.000 0.272 331 V C -2.164 173.934 176.094 0.007 0.000 1.611 331 V CA -0.699 61.616 62.300 0.025 0.000 0.990 331 V CB 2.284 34.116 31.823 0.015 0.000 1.234 331 V HN 0.999 nan 8.190 nan 0.000 0.453 332 D N 2.188 122.584 120.400 -0.007 0.000 2.614 332 D HA 0.544 5.184 4.640 0.001 0.000 0.264 332 D C 1.082 177.364 176.300 -0.030 0.000 1.092 332 D CA 0.133 54.124 54.000 -0.015 0.000 1.071 332 D CB 1.638 42.432 40.800 -0.009 0.000 1.443 332 D HN 0.752 nan 8.370 nan 0.000 0.528 333 S N -0.030 115.651 115.700 -0.032 0.000 2.380 333 S HA -0.272 4.199 4.470 0.001 0.000 0.229 333 S C 1.097 175.669 174.600 -0.046 0.000 1.043 333 S CA 1.094 59.270 58.200 -0.039 0.000 1.038 333 S CB -0.757 62.423 63.200 -0.033 0.000 0.872 333 S HN 0.554 nan 8.310 nan 0.000 0.456 334 N N 1.634 120.309 118.700 -0.042 0.000 2.383 334 N HA 0.200 4.940 4.740 0.001 0.000 0.192 334 N C -0.338 175.133 175.510 -0.065 0.000 1.141 334 N CA 0.147 53.167 53.050 -0.050 0.000 0.851 334 N CB 0.062 38.525 38.487 -0.039 0.000 0.976 334 N HN 0.350 nan 8.380 nan 0.000 0.465 335 S N 2.358 118.020 115.700 -0.064 0.000 2.572 335 S HA 0.187 4.657 4.470 0.001 0.000 0.279 335 S C -1.986 172.525 174.600 -0.147 0.000 1.341 335 S CA -0.642 57.510 58.200 -0.080 0.000 1.043 335 S CB 1.236 64.403 63.200 -0.054 0.000 0.887 335 S HN 0.233 nan 8.310 nan 0.000 0.516 336 P HA 0.488 nan 4.420 nan 0.000 0.284 336 P C -1.204 175.790 177.300 -0.511 0.000 1.287 336 P CA -0.706 62.156 63.100 -0.397 0.000 0.824 336 P CB 0.879 32.263 31.700 -0.527 0.000 1.180 337 L N 0.545 121.465 121.223 -0.504 0.000 2.365 337 L HA 0.447 4.787 4.340 0.001 0.000 0.273 337 L C -0.473 176.134 176.870 -0.439 0.000 1.000 337 L CA -0.972 53.660 54.840 -0.347 0.000 0.819 337 L CB 1.412 43.408 42.059 -0.105 0.000 1.284 337 L HN 0.341 nan 8.230 nan 0.000 0.418 338 Y N 0.541 120.854 120.300 0.022 0.000 2.342 338 Y HA 0.196 4.746 4.550 0.001 0.000 0.334 338 Y C 0.051 176.107 175.900 0.261 0.000 1.067 338 Y CA -0.267 57.867 58.100 0.058 0.000 1.128 338 Y CB 1.417 39.891 38.460 0.023 0.000 1.200 338 Y HN 0.544 nan 8.280 nan 0.000 0.464 339 W N 1.275 122.662 121.300 0.145 0.000 2.644 339 W HA 0.206 4.866 4.660 0.001 0.000 0.279 339 W C -0.425 176.214 176.519 0.200 0.000 1.164 339 W CA -0.076 57.346 57.345 0.130 0.000 1.457 339 W CB 0.131 29.643 29.460 0.087 0.000 1.087 339 W HN 0.290 nan 8.180 nan 0.000 0.573 340 F N 0.673 120.818 119.950 0.325 0.000 2.623 340 F HA 0.433 4.960 4.527 0.001 0.000 0.323 340 F C -0.317 175.580 175.800 0.161 0.000 1.158 340 F CA -1.484 56.643 58.000 0.211 0.000 1.030 340 F CB 0.700 39.816 39.000 0.192 0.000 1.280 340 F HN -0.384 nan 8.300 nan 0.000 0.474 341 R N 3.202 123.897 120.500 0.324 0.000 2.832 341 R HA 0.751 5.091 4.340 0.001 0.000 0.271 341 R C 0.583 177.082 176.300 0.332 0.000 0.996 341 R CA -0.393 55.861 56.100 0.256 0.000 0.977 341 R CB 1.642 31.963 30.300 0.036 0.000 1.168 341 R HN 0.714 nan 8.270 nan 0.000 0.482 342 A N 1.101 124.071 122.820 0.251 0.000 1.940 342 A HA -0.228 4.092 4.320 0.001 0.000 0.219 342 A C 2.087 179.854 177.584 0.305 0.000 1.176 342 A CA 2.281 54.470 52.037 0.253 0.000 0.631 342 A CB -0.762 18.376 19.000 0.231 0.000 0.814 342 A HN 0.852 nan 8.150 nan 0.000 0.446 343 S N -0.247 115.603 115.700 0.251 0.000 2.383 343 S HA -0.265 4.206 4.470 0.001 0.000 0.229 343 S C 1.844 176.613 174.600 0.281 0.000 1.030 343 S CA 1.552 59.897 58.200 0.242 0.000 1.002 343 S CB -0.490 62.842 63.200 0.221 0.000 0.829 343 S HN 0.718 nan 8.310 nan 0.000 0.467 344 E N 1.370 121.726 120.200 0.261 0.000 2.077 344 E HA -0.174 4.177 4.350 0.001 0.000 0.193 344 E C 2.233 178.978 176.600 0.242 0.000 0.989 344 E CA 1.702 58.243 56.400 0.234 0.000 0.800 344 E CB -0.453 29.156 29.700 -0.152 0.000 0.746 344 E HN 0.879 nan 8.360 nan 0.000 0.452 345 T N -1.546 113.156 114.554 0.246 0.000 2.759 345 T HA -0.217 4.134 4.350 0.001 0.000 0.269 345 T C 1.728 176.330 174.700 -0.163 0.000 1.042 345 T CA 1.459 63.595 62.100 0.060 0.000 1.140 345 T CB -0.782 68.015 68.868 -0.119 0.000 0.864 345 T HN 0.275 nan 8.240 nan 0.000 0.455 346 Y N 0.419 120.680 120.300 -0.066 0.000 2.242 346 Y HA 0.136 4.686 4.550 0.001 0.000 0.291 346 Y C 2.135 177.942 175.900 -0.155 0.000 1.137 346 Y CA 0.781 58.771 58.100 -0.183 0.000 1.181 346 Y CB -0.520 37.776 38.460 -0.273 0.000 0.989 346 Y HN 0.173 nan 8.280 nan 0.000 0.527 347 F N -0.867 119.222 119.950 0.232 0.000 2.259 347 F HA -0.110 4.417 4.527 0.001 0.000 0.298 347 F C 1.976 177.872 175.800 0.160 0.000 1.088 347 F CA 0.874 59.009 58.000 0.225 0.000 1.358 347 F CB -0.835 38.294 39.000 0.214 0.000 1.040 347 F HN -0.015 nan 8.300 nan 0.000 0.505 348 L N -0.254 121.118 121.223 0.247 0.000 2.056 348 L HA -0.197 4.143 4.340 0.001 0.000 0.207 348 L C 2.341 179.227 176.870 0.027 0.000 1.078 348 L CA 1.379 56.306 54.840 0.145 0.000 0.749 348 L CB -0.578 41.556 42.059 0.126 0.000 0.901 348 L HN 0.028 nan 8.230 nan 0.000 0.433 349 K N 0.025 120.343 120.400 -0.137 0.000 2.097 349 K HA -0.125 4.196 4.320 0.001 0.000 0.206 349 K C 2.229 178.693 176.600 -0.226 0.000 1.049 349 K CA 1.201 57.246 56.287 -0.404 0.000 0.933 349 K CB -0.234 31.669 32.500 -0.996 0.000 0.717 349 K HN 0.277 nan 8.250 nan 0.000 0.442 350 A N 1.665 124.513 122.820 0.047 0.000 1.883 350 A HA -0.254 4.067 4.320 0.001 0.000 0.217 350 A C 2.101 179.846 177.584 0.268 0.000 1.186 350 A CA 1.760 53.984 52.037 0.312 0.000 0.624 350 A CB -0.459 18.810 19.000 0.450 0.000 0.822 350 A HN 0.391 nan 8.150 nan 0.000 0.444 351 E N -0.358 119.993 120.200 0.253 0.000 2.047 351 E HA -0.084 4.266 4.350 0.001 0.000 0.191 351 E C 2.198 178.888 176.600 0.150 0.000 0.987 351 E CA 0.916 57.472 56.400 0.262 0.000 0.799 351 E CB -0.256 29.612 29.700 0.280 0.000 0.752 351 E HN 0.522 nan 8.360 nan 0.000 0.449 352 A N 1.251 124.094 122.820 0.038 0.000 1.908 352 A HA -0.169 4.151 4.320 0.001 0.000 0.218 352 A C 2.372 179.962 177.584 0.009 0.000 1.181 352 A CA 1.995 54.005 52.037 -0.046 0.000 0.627 352 A CB -0.777 18.182 19.000 -0.069 0.000 0.818 352 A HN 0.417 nan 8.150 nan 0.000 0.445 353 A N -0.721 122.139 122.820 0.066 0.000 1.930 353 A HA 0.020 4.340 4.320 0.001 0.000 0.217 353 A C 2.082 179.704 177.584 0.064 0.000 1.175 353 A CA 1.596 53.705 52.037 0.120 0.000 0.627 353 A CB -0.581 18.596 19.000 0.296 0.000 0.815 353 A HN 0.697 nan 8.150 nan 0.000 0.443 354 L N -1.632 119.620 121.223 0.048 0.000 2.127 354 L HA -0.118 4.223 4.340 0.001 0.000 0.211 354 L C 1.315 177.967 176.870 -0.364 0.000 1.089 354 L CA 1.739 56.510 54.840 -0.114 0.000 0.757 354 L CB -0.624 41.365 42.059 -0.118 0.000 0.899 354 L HN 0.473 nan 8.230 nan 0.000 0.434 355 Y N 0.346 120.615 120.300 -0.050 0.000 2.625 355 Y HA 0.264 4.814 4.550 0.001 0.000 0.285 355 Y C 0.828 176.680 175.900 -0.079 0.000 1.168 355 Y CA -0.637 57.404 58.100 -0.099 0.000 1.250 355 Y CB -0.539 37.750 38.460 -0.285 0.000 1.130 355 Y HN 0.223 nan 8.280 nan 0.000 0.526 356 N N 0.285 119.000 118.700 0.026 0.000 2.721 356 N HA -0.239 4.502 4.740 0.001 0.000 0.249 356 N C 0.548 176.073 175.510 0.024 0.000 1.072 356 N CA 0.888 53.955 53.050 0.028 0.000 0.710 356 N CB -1.325 37.180 38.487 0.030 0.000 0.993 356 N HN 0.492 nan 8.380 nan 0.000 0.547 357 L N -0.529 120.699 121.223 0.007 0.000 2.375 357 L HA 0.254 4.594 4.340 0.001 0.000 0.215 357 L C 1.346 178.217 176.870 0.002 0.000 1.108 357 L CA 0.672 55.507 54.840 -0.009 0.000 0.830 357 L CB 0.029 42.054 42.059 -0.055 0.000 0.959 357 L HN 0.340 nan 8.230 nan 0.000 0.457 358 I N -4.588 115.991 120.570 0.014 0.000 3.095 358 I HA 0.708 4.879 4.170 0.001 0.000 0.310 358 I C 0.106 176.264 176.117 0.068 0.000 1.196 358 I CA -1.002 60.314 61.300 0.027 0.000 0.985 358 I CB 1.540 39.538 38.000 -0.004 0.000 1.250 358 I HN -0.172 nan 8.210 nan 0.000 0.446 359 G N 0.705 109.553 108.800 0.080 0.000 2.599 359 G HA2 0.631 4.592 3.960 0.001 0.000 0.264 359 G HA3 0.631 4.592 3.960 0.001 0.000 0.264 359 G C 0.029 175.040 174.900 0.185 0.000 1.200 359 G CA -0.104 45.053 45.100 0.096 0.000 0.896 359 G HN 1.707 nan 8.290 nan 0.000 0.536 360 G N -0.616 108.254 108.800 0.117 0.000 2.479 360 G HA2 0.236 4.197 3.960 0.001 0.000 0.686 360 G HA3 0.236 4.197 3.960 0.001 0.000 0.686 360 G C -1.315 173.558 174.900 -0.045 0.000 1.295 360 G CA -0.036 45.099 45.100 0.058 0.000 0.922 360 G HN 0.899 nan 8.290 nan 0.000 0.582 361 D N 0.681 120.895 120.400 -0.310 0.000 2.349 361 D HA 0.602 5.243 4.640 0.001 0.000 0.232 361 D C -0.223 175.891 176.300 -0.311 0.000 1.071 361 D CA -1.887 51.949 54.000 -0.273 0.000 0.832 361 D CB 1.891 42.503 40.800 -0.313 0.000 1.086 361 D HN 0.096 nan 8.370 nan 0.000 0.504 362 P HA -0.223 nan 4.420 nan 0.000 0.216 362 P C 1.215 178.231 177.300 -0.474 0.000 1.150 362 P CA 1.101 64.176 63.100 -0.042 0.000 0.837 362 P CB 0.401 32.158 31.700 0.095 0.000 0.786 363 K N -0.297 119.545 120.400 -0.929 0.000 2.057 363 K HA -0.102 4.219 4.320 0.001 0.000 0.207 363 K C 1.993 178.237 176.600 -0.593 0.000 1.049 363 K CA 1.906 57.353 56.287 -1.400 0.000 0.931 363 K CB -0.538 31.138 32.500 -1.373 0.000 0.714 363 K HN 0.014 nan 8.250 nan 0.000 0.440 364 T N 0.823 115.088 114.554 -0.482 0.000 2.708 364 T HA -0.121 4.230 4.350 0.001 0.000 0.266 364 T C 1.517 176.049 174.700 -0.281 0.000 1.037 364 T CA 1.551 63.412 62.100 -0.399 0.000 1.146 364 T CB -0.322 68.237 68.868 -0.514 0.000 0.865 364 T HN 0.141 nan 8.240 nan 0.000 0.435 365 F N 0.276 120.165 119.950 -0.100 0.000 2.146 365 F HA 0.044 4.572 4.527 0.001 0.000 0.298 365 F C 2.195 177.959 175.800 -0.061 0.000 1.096 365 F CA -0.001 57.992 58.000 -0.011 0.000 1.275 365 F CB -1.133 37.899 39.000 0.052 0.000 1.008 365 F HN 0.169 nan 8.300 nan 0.000 0.480 366 Y N 1.268 121.570 120.300 0.004 0.000 2.097 366 Y HA -0.233 4.318 4.550 0.001 0.000 0.282 366 Y C 2.252 178.135 175.900 -0.028 0.000 1.152 366 Y CA 2.033 60.167 58.100 0.057 0.000 1.136 366 Y CB -0.616 37.873 38.460 0.049 0.000 0.975 366 Y HN 0.136 nan 8.280 nan 0.000 0.498 367 E N -0.646 119.497 120.200 -0.094 0.000 2.204 367 E HA -0.250 4.100 4.350 0.001 0.000 0.194 367 E C 2.063 178.481 176.600 -0.302 0.000 0.989 367 E CA 1.042 57.309 56.400 -0.223 0.000 0.824 367 E CB -0.103 29.519 29.700 -0.131 0.000 0.756 367 E HN 0.459 nan 8.360 nan 0.000 0.477 368 Q N 0.540 120.150 119.800 -0.316 0.000 2.123 368 Q HA -0.065 4.275 4.340 0.001 0.000 0.199 368 Q C 1.992 177.619 176.000 -0.621 0.000 0.966 368 Q CA 1.732 57.254 55.803 -0.467 0.000 0.845 368 Q CB -0.507 27.915 28.738 -0.528 0.000 0.907 368 Q HN 0.233 nan 8.270 nan 0.000 0.439 369 G N 0.679 109.098 108.800 -0.634 0.000 2.421 369 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 369 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 369 G C 1.444 176.073 174.900 -0.451 0.000 1.171 369 G CA 0.974 45.565 45.100 -0.849 0.000 0.775 369 G HN 0.419 nan 8.290 nan 0.000 0.543 370 I N 0.839 121.237 120.570 -0.287 0.000 2.226 370 I HA -0.193 3.978 4.170 0.001 0.000 0.245 370 I C 2.606 178.595 176.117 -0.214 0.000 1.100 370 I CA 1.380 62.637 61.300 -0.072 0.000 1.374 370 I CB -0.316 37.571 38.000 -0.188 0.000 1.057 370 I HN 0.186 nan 8.210 nan 0.000 0.413 371 N N 1.382 119.889 118.700 -0.321 0.000 2.069 371 N HA -0.203 4.538 4.740 0.001 0.000 0.191 371 N C 1.803 177.225 175.510 -0.147 0.000 1.031 371 N CA 1.599 54.474 53.050 -0.292 0.000 0.852 371 N CB -0.035 38.281 38.487 -0.285 0.000 1.018 371 N HN 0.111 nan 8.380 nan 0.000 0.423 372 I N 0.169 120.626 120.570 -0.188 0.000 2.208 372 I HA -0.211 3.960 4.170 0.001 0.000 0.245 372 I C 2.399 178.530 176.117 0.024 0.000 1.097 372 I CA 1.111 62.351 61.300 -0.100 0.000 1.363 372 I CB -1.590 36.325 38.000 -0.141 0.000 1.051 372 I HN 0.285 nan 8.210 nan 0.000 0.413 373 S N 0.694 116.446 115.700 0.086 0.000 2.356 373 S HA -0.177 4.293 4.470 0.001 0.000 0.223 373 S C 2.083 176.788 174.600 0.175 0.000 1.032 373 S CA 1.212 59.510 58.200 0.164 0.000 1.005 373 S CB -0.298 63.063 63.200 0.268 0.000 0.867 373 S HN 0.250 nan 8.310 nan 0.000 0.449 374 F N 2.016 121.907 119.950 -0.098 0.000 2.161 374 F HA -0.056 4.471 4.527 0.001 0.000 0.300 374 F C 2.675 178.419 175.800 -0.093 0.000 1.089 374 F CA 1.332 59.255 58.000 -0.129 0.000 1.282 374 F CB -0.897 38.014 39.000 -0.147 0.000 1.010 374 F HN 0.354 nan 8.300 nan 0.000 0.485 375 Q N -0.206 119.666 119.800 0.120 0.000 2.046 375 Q HA -0.193 4.147 4.340 0.001 0.000 0.200 375 Q C 2.115 178.129 176.000 0.023 0.000 0.975 375 Q CA 1.656 57.487 55.803 0.047 0.000 0.836 375 Q CB -0.329 28.421 28.738 0.021 0.000 0.896 375 Q HN 0.487 nan 8.270 nan 0.000 0.428 376 E N 0.443 120.658 120.200 0.024 0.000 2.085 376 E HA -0.200 4.150 4.350 0.001 0.000 0.194 376 E C 1.877 178.472 176.600 -0.008 0.000 0.994 376 E CA 0.855 57.256 56.400 0.003 0.000 0.801 376 E CB 0.055 29.743 29.700 -0.020 0.000 0.743 376 E HN 0.275 nan 8.360 nan 0.000 0.453 377 Q N -0.737 119.047 119.800 -0.027 0.000 2.403 377 Q HA 0.059 4.400 4.340 0.001 0.000 0.203 377 Q C 1.130 177.081 176.000 -0.083 0.000 0.932 377 Q CA 0.784 56.550 55.803 -0.062 0.000 0.945 377 Q CB 0.896 29.532 28.738 -0.170 0.000 1.045 377 Q HN 0.428 nan 8.270 nan 0.000 0.511 378 G N 1.061 109.829 108.800 -0.054 0.000 2.176 378 G HA2 -0.257 3.703 3.960 0.001 0.000 0.252 378 G HA3 -0.257 3.703 3.960 0.001 0.000 0.252 378 G C 0.303 175.157 174.900 -0.078 0.000 1.024 378 G CA 0.520 45.593 45.100 -0.045 0.000 0.755 378 G HN 0.340 nan 8.290 nan 0.000 0.507 379 V N -2.554 117.283 119.914 -0.129 0.000 3.019 379 V HA 1.006 5.126 4.120 0.001 0.000 0.317 379 V C 0.367 176.445 176.094 -0.028 0.000 1.094 379 V CA 0.106 62.305 62.300 -0.169 0.000 1.000 379 V CB 1.838 33.413 31.823 -0.412 0.000 1.060 379 V HN 1.300 nan 8.190 nan 0.000 0.443 380 S N -0.332 115.382 115.700 0.023 0.000 2.841 380 S HA 0.905 5.376 4.470 0.001 0.000 0.318 380 S C 0.767 175.501 174.600 0.224 0.000 1.127 380 S CA -0.192 58.097 58.200 0.149 0.000 0.883 380 S CB 1.087 64.328 63.200 0.068 0.000 1.271 380 S HN 2.781 nan 8.310 nan 0.000 0.567 381 G N -0.691 108.215 108.800 0.178 0.000 2.130 381 G HA2 -0.235 3.725 3.960 0.001 0.000 0.216 381 G HA3 -0.235 3.725 3.960 0.001 0.000 0.216 381 G C 0.582 175.594 174.900 0.186 0.000 0.999 381 G CA 0.265 45.467 45.100 0.170 0.000 0.686 381 G HN 1.369 nan 8.290 nan 0.000 0.515 382 V N 0.364 120.290 119.914 0.021 0.000 2.332 382 V HA 0.055 4.176 4.120 0.001 0.000 0.248 382 V C 3.003 179.014 176.094 -0.138 0.000 1.055 382 V CA 3.209 65.290 62.300 -0.365 0.000 1.038 382 V CB -0.626 30.848 31.823 -0.582 0.000 0.651 382 V HN 1.417 nan 8.190 nan 0.000 0.450 383 A N -0.518 122.260 122.820 -0.071 0.000 1.873 383 A HA -0.266 4.055 4.320 0.001 0.000 0.218 383 A C 2.367 179.948 177.584 -0.005 0.000 1.193 383 A CA 3.014 55.025 52.037 -0.043 0.000 0.629 383 A CB -1.412 17.572 19.000 -0.028 0.000 0.826 383 A HN 0.573 nan 8.150 nan 0.000 0.447 384 T N -1.961 112.615 114.554 0.036 0.000 2.821 384 T HA -0.144 4.206 4.350 0.001 0.000 0.267 384 T C 1.762 176.506 174.700 0.074 0.000 1.046 384 T CA 1.541 63.673 62.100 0.053 0.000 1.139 384 T CB -0.407 68.507 68.868 0.078 0.000 0.871 384 T HN 0.556 nan 8.240 nan 0.000 0.454 385 Y N 1.601 121.894 120.300 -0.012 0.000 2.181 385 Y HA -0.019 4.532 4.550 0.001 0.000 0.288 385 Y C 1.901 177.762 175.900 -0.065 0.000 1.146 385 Y CA 1.096 59.195 58.100 -0.000 0.000 1.164 385 Y CB -0.347 38.154 38.460 0.067 0.000 0.982 385 Y HN 0.109 nan 8.280 nan 0.000 0.515 386 L N -0.791 120.418 121.223 -0.023 0.000 2.456 386 L HA -0.151 4.190 4.340 0.001 0.000 0.224 386 L C 1.843 178.663 176.870 -0.084 0.000 1.148 386 L CA 1.025 55.823 54.840 -0.070 0.000 0.825 386 L CB -0.337 41.695 42.059 -0.044 0.000 0.937 386 L HN 0.137 nan 8.230 nan 0.000 0.450 387 S N -0.754 114.894 115.700 -0.087 0.000 2.524 387 S HA 0.142 4.613 4.470 0.001 0.000 0.215 387 S C 1.123 175.658 174.600 -0.108 0.000 0.986 387 S CA -0.037 58.118 58.200 -0.074 0.000 0.911 387 S CB 0.346 63.521 63.200 -0.041 0.000 0.805 387 S HN 0.440 nan 8.310 nan 0.000 0.501 388 G N 2.007 110.702 108.800 -0.174 0.000 2.398 388 G HA2 0.311 4.272 3.960 0.001 0.000 0.246 388 G HA3 0.311 4.272 3.960 0.001 0.000 0.246 388 G C 0.615 175.397 174.900 -0.196 0.000 1.289 388 G CA 0.113 45.101 45.100 -0.186 0.000 0.869 388 G HN 0.347 nan 8.290 nan 0.000 0.543 389 T N -0.296 114.185 114.554 -0.123 0.000 3.132 389 T HA 0.390 4.740 4.350 0.001 0.000 0.274 389 T C 1.055 175.723 174.700 -0.053 0.000 1.011 389 T CA 0.206 62.242 62.100 -0.106 0.000 0.899 389 T CB 0.464 69.286 68.868 -0.077 0.000 1.089 389 T HN 0.706 nan 8.240 nan 0.000 0.543 390 G N 1.256 110.039 108.800 -0.028 0.000 2.527 390 G HA2 0.529 4.490 3.960 0.001 0.000 0.248 390 G HA3 0.529 4.490 3.960 0.001 0.000 0.248 390 G C -0.563 174.434 174.900 0.162 0.000 1.231 390 G CA -0.527 44.606 45.100 0.055 0.000 0.838 390 G HN 0.272 nan 8.290 nan 0.000 0.570 391 K N 0.984 121.468 120.400 0.140 0.000 2.185 391 K HA 0.496 4.817 4.320 0.001 0.000 0.240 391 K C -2.060 174.553 176.600 0.022 0.000 0.983 391 K CA -1.806 54.582 56.287 0.169 0.000 0.873 391 K CB 1.452 33.999 32.500 0.078 0.000 1.118 391 K HN 0.251 nan 8.250 nan 0.000 0.441 392 P HA 0.015 nan 4.420 nan 0.000 0.269 392 P C -0.742 176.370 177.300 -0.313 0.000 1.215 392 P CA -0.137 62.679 63.100 -0.474 0.000 0.780 392 P CB 0.398 31.559 31.700 -0.899 0.000 0.898 393 T N 1.297 115.621 114.554 -0.383 0.000 2.845 393 T HA 0.486 4.836 4.350 0.001 0.000 0.288 393 T C 0.808 175.458 174.700 -0.083 0.000 0.980 393 T CA -0.197 61.758 62.100 -0.241 0.000 1.071 393 T CB 1.077 69.719 68.868 -0.378 0.000 0.941 393 T HN 0.511 nan 8.240 nan 0.000 0.487 394 G N 1.274 110.102 108.800 0.047 0.000 2.535 394 G HA2 0.598 4.558 3.960 0.001 0.000 0.303 394 G HA3 0.598 4.558 3.960 0.001 0.000 0.303 394 G C -1.275 173.789 174.900 0.273 0.000 1.237 394 G CA -0.486 44.694 45.100 0.134 0.000 0.986 394 G HN 0.515 nan 8.290 nan 0.000 0.494 395 L N 0.360 121.722 121.223 0.232 0.000 2.362 395 L HA 0.674 5.015 4.340 0.001 0.000 0.275 395 L C 0.717 177.644 176.870 0.095 0.000 0.998 395 L CA -0.387 54.589 54.840 0.226 0.000 0.820 395 L CB 1.827 44.064 42.059 0.297 0.000 1.270 395 L HN 0.895 nan 8.230 nan 0.000 0.415 396 T N -0.755 113.856 114.554 0.095 0.000 2.858 396 T HA 0.527 4.878 4.350 0.001 0.000 0.285 396 T C 1.058 175.794 174.700 0.060 0.000 1.052 396 T CA -0.150 61.973 62.100 0.038 0.000 1.009 396 T CB 1.098 69.982 68.868 0.026 0.000 1.241 396 T HN 0.540 nan 8.240 nan 0.000 0.542 397 G N 0.717 109.533 108.800 0.028 0.000 2.469 397 G HA2 -0.238 3.723 3.960 0.001 0.000 0.219 397 G HA3 -0.238 3.723 3.960 0.001 0.000 0.219 397 G C 1.715 176.627 174.900 0.019 0.000 1.150 397 G CA 1.690 46.811 45.100 0.035 0.000 0.763 397 G HN 1.057 nan 8.290 nan 0.000 0.561 398 S N 0.228 115.927 115.700 -0.001 0.000 2.325 398 S HA -0.085 4.385 4.470 0.001 0.000 0.214 398 S C 1.926 176.481 174.600 -0.074 0.000 1.031 398 S CA 1.283 59.459 58.200 -0.040 0.000 0.972 398 S CB -0.934 62.250 63.200 -0.026 0.000 0.908 398 S HN 0.529 nan 8.310 nan 0.000 0.453 399 N N 0.197 118.884 118.700 -0.022 0.000 2.064 399 N HA -0.251 4.489 4.740 0.001 0.000 0.200 399 N C 0.114 175.566 175.510 -0.097 0.000 1.028 399 N CA 1.566 54.601 53.050 -0.026 0.000 0.880 399 N CB -0.382 38.151 38.487 0.077 0.000 1.062 399 N HN 0.495 nan 8.380 nan 0.000 0.454 400 Y N 1.811 122.021 120.300 -0.150 0.000 2.544 400 Y HA 0.023 4.573 4.550 0.001 0.000 0.330 400 Y C 0.799 176.485 175.900 -0.357 0.000 1.136 400 Y CA 0.372 58.360 58.100 -0.186 0.000 1.417 400 Y CB 0.699 39.168 38.460 0.016 0.000 1.229 400 Y HN -0.024 nan 8.280 nan 0.000 0.532 401 K N 4.641 124.350 120.400 -1.152 0.000 2.393 401 K HA 0.025 4.345 4.320 0.001 0.000 0.193 401 K C -0.547 175.251 176.600 -1.337 0.000 1.026 401 K CA 0.472 55.931 56.287 -1.380 0.000 1.064 401 K CB 0.342 31.705 32.500 -1.894 0.000 0.833 401 K HN 0.659 nan 8.250 nan 0.000 0.521 402 Y N 0.485 120.207 120.300 -0.963 0.000 2.736 402 Y HA 0.338 4.889 4.550 0.001 0.000 0.293 402 Y C 0.719 176.537 175.900 -0.138 0.000 1.062 402 Y CA -0.648 57.165 58.100 -0.479 0.000 1.247 402 Y CB 1.075 39.292 38.460 -0.405 0.000 1.200 402 Y HN 0.088 nan 8.280 nan 0.000 0.552 403 G N -0.542 108.279 108.800 0.035 0.000 2.334 403 G HA2 -0.061 3.900 3.960 0.001 0.000 0.315 403 G HA3 -0.061 3.900 3.960 0.001 0.000 0.315 403 G C -1.059 174.030 174.900 0.315 0.000 1.284 403 G CA -1.185 44.046 45.100 0.219 0.000 0.985 403 G HN -0.104 nan 8.290 nan 0.000 0.504 404 T N 1.195 115.902 114.554 0.254 0.000 2.782 404 T HA 0.536 4.886 4.350 0.001 0.000 0.298 404 T C -1.060 173.793 174.700 0.256 0.000 0.944 404 T CA 0.484 62.708 62.100 0.207 0.000 1.001 404 T CB 0.261 69.198 68.868 0.115 0.000 0.932 404 T HN 0.779 nan 8.240 nan 0.000 0.524 405 Y N 3.508 123.860 120.300 0.086 0.000 2.441 405 Y HA 0.543 5.094 4.550 0.001 0.000 0.334 405 Y C -1.094 174.773 175.900 -0.055 0.000 1.061 405 Y CA -1.347 56.708 58.100 -0.075 0.000 1.032 405 Y CB 1.751 39.951 38.460 -0.432 0.000 1.266 405 Y HN 0.584 nan 8.280 nan 0.000 0.441 406 N N 3.873 122.120 118.700 -0.755 0.000 2.397 406 N HA 0.352 5.093 4.740 0.001 0.000 0.291 406 N C -2.300 172.900 175.510 -0.516 0.000 1.065 406 N CA -0.448 52.318 53.050 -0.473 0.000 0.884 406 N CB 0.986 39.339 38.487 -0.223 0.000 1.551 406 N HN 0.747 nan 8.380 nan 0.000 0.487 407 H N 2.248 121.076 119.070 -0.402 0.000 3.154 407 H HA 0.124 4.680 4.556 0.001 0.000 0.330 407 H C -1.814 173.468 175.328 -0.076 0.000 1.033 407 H CA -0.454 55.455 56.048 -0.232 0.000 1.393 407 H CB 1.356 30.993 29.762 -0.209 0.000 1.951 407 H HN 0.573 nan 8.280 nan 0.000 0.466 408 D N 5.344 125.454 120.400 -0.483 0.000 2.453 408 D HA 0.005 4.646 4.640 0.001 0.000 0.223 408 D C 1.099 177.268 176.300 -0.218 0.000 1.183 408 D CA -0.387 53.463 54.000 -0.251 0.000 0.933 408 D CB 0.591 41.264 40.800 -0.212 0.000 1.038 408 D HN 0.472 nan 8.370 nan 0.000 0.513 409 L N 3.740 124.974 121.223 0.018 0.000 2.275 409 L HA -0.121 4.219 4.340 0.001 0.000 0.215 409 L C 2.188 179.066 176.870 0.014 0.000 1.119 409 L CA 1.591 56.485 54.840 0.090 0.000 0.790 409 L CB -0.584 41.476 42.059 0.002 0.000 0.919 409 L HN 0.421 nan 8.230 nan 0.000 0.443 410 S N -0.957 114.725 115.700 -0.030 0.000 2.447 410 S HA -0.057 4.414 4.470 0.001 0.000 0.233 410 S C 1.104 175.728 174.600 0.040 0.000 1.006 410 S CA -0.040 58.157 58.200 -0.005 0.000 0.957 410 S CB -0.996 62.192 63.200 -0.021 0.000 0.773 410 S HN 0.361 nan 8.310 nan 0.000 0.507 411 I N 2.943 123.517 120.570 0.008 0.000 2.845 411 I HA 0.135 4.306 4.170 0.001 0.000 0.290 411 I C 1.608 177.771 176.117 0.077 0.000 1.202 411 I CA 0.985 62.289 61.300 0.007 0.000 1.406 411 I CB -0.501 37.461 38.000 -0.063 0.000 1.383 411 I HN 0.498 nan 8.210 nan 0.000 0.549 412 G N 4.142 112.998 108.800 0.094 0.000 2.212 412 G HA2 -0.362 3.598 3.960 0.001 0.000 0.267 412 G HA3 -0.362 3.598 3.960 0.001 0.000 0.267 412 G C 0.210 175.292 174.900 0.302 0.000 1.002 412 G CA 0.621 45.820 45.100 0.165 0.000 0.729 412 G HN 0.749 nan 8.290 nan 0.000 0.517 413 N N -1.226 117.632 118.700 0.263 0.000 2.405 413 N HA 0.619 5.359 4.740 0.001 0.000 0.269 413 N C 0.379 175.971 175.510 0.136 0.000 1.249 413 N CA 0.366 53.577 53.050 0.269 0.000 0.974 413 N CB 0.816 39.464 38.487 0.268 0.000 1.204 413 N HN 0.148 nan 8.380 nan 0.000 0.565 414 T N -0.855 113.764 114.554 0.107 0.000 2.926 414 T HA 0.485 4.836 4.350 0.001 0.000 0.289 414 T C -0.487 174.288 174.700 0.125 0.000 1.054 414 T CA -0.701 61.423 62.100 0.040 0.000 1.015 414 T CB 0.753 69.564 68.868 -0.095 0.000 1.167 414 T HN 0.588 nan 8.240 nan 0.000 0.526 415 S N 1.757 117.437 115.700 -0.034 0.000 2.758 415 S HA 0.565 5.035 4.470 0.001 0.000 0.292 415 S C -2.131 172.250 174.600 -0.364 0.000 1.131 415 S CA -1.230 56.873 58.200 -0.160 0.000 0.997 415 S CB 1.165 64.264 63.200 -0.168 0.000 1.111 415 S HN 0.504 nan 8.310 nan 0.000 0.552 416 P HA 0.124 nan 4.420 nan 0.000 0.221 416 P C -0.053 177.163 177.300 -0.141 0.000 1.155 416 P CA 0.583 63.400 63.100 -0.471 0.000 0.812 416 P CB 0.056 31.194 31.700 -0.937 0.000 0.801 417 K N 0.343 120.618 120.400 -0.209 0.000 2.436 417 K HA -0.103 4.218 4.320 0.001 0.000 0.282 417 K C 1.028 177.564 176.600 -0.106 0.000 1.044 417 K CA -0.248 55.979 56.287 -0.099 0.000 1.028 417 K CB -0.097 32.317 32.500 -0.144 0.000 0.919 417 K HN 0.108 nan 8.250 nan 0.000 0.474 418 W N 5.226 126.446 121.300 -0.133 0.000 2.335 418 W HA -0.230 4.430 4.660 0.001 0.000 0.311 418 W C 0.255 176.513 176.519 -0.436 0.000 1.213 418 W CA 1.591 58.776 57.345 -0.267 0.000 1.274 418 W CB 0.166 29.550 29.460 -0.126 0.000 1.148 418 W HN 0.689 nan 8.180 nan 0.000 0.498 419 D N 0.200 120.496 120.400 -0.173 0.000 2.336 419 D HA -0.058 4.583 4.640 0.001 0.000 0.229 419 D C -0.584 175.392 176.300 -0.540 0.000 1.061 419 D CA 0.823 54.658 54.000 -0.275 0.000 0.875 419 D CB -0.297 40.533 40.800 0.051 0.000 0.904 419 D HN 0.119 nan 8.370 nan 0.000 0.525 420 D N 0.218 120.212 120.400 -0.676 0.000 2.412 420 D HA 0.079 4.720 4.640 0.001 0.000 0.224 420 D C -1.099 174.797 176.300 -0.673 0.000 1.093 420 D CA -0.410 53.299 54.000 -0.486 0.000 0.850 420 D CB 0.127 40.758 40.800 -0.283 0.000 1.046 420 D HN -0.103 nan 8.370 nan 0.000 0.507 421 Y N 2.069 122.290 120.300 -0.133 0.000 2.331 421 Y HA 0.244 4.794 4.550 0.001 0.000 0.338 421 Y C 1.843 177.692 175.900 -0.084 0.000 0.992 421 Y CA -0.806 57.211 58.100 -0.138 0.000 1.121 421 Y CB 2.099 40.468 38.460 -0.151 0.000 1.184 421 Y HN 0.239 nan 8.280 nan 0.000 0.469 422 T N 1.742 116.329 114.554 0.054 0.000 2.915 422 T HA -0.017 4.334 4.350 0.001 0.000 0.269 422 T C 1.759 176.493 174.700 0.056 0.000 1.071 422 T CA 1.497 63.622 62.100 0.043 0.000 1.132 422 T CB -0.540 68.353 68.868 0.042 0.000 0.878 422 T HN 1.165 nan 8.240 nan 0.000 0.479 423 G N 1.286 110.128 108.800 0.070 0.000 2.162 423 G HA2 -0.338 3.622 3.960 0.001 0.000 0.260 423 G HA3 -0.338 3.622 3.960 0.001 0.000 0.260 423 G C 0.825 175.746 174.900 0.035 0.000 0.976 423 G CA 0.799 45.923 45.100 0.040 0.000 0.655 423 G HN 0.548 nan 8.290 nan 0.000 0.533 424 N N -0.654 118.078 118.700 0.054 0.000 2.250 424 N HA 0.196 4.937 4.740 0.001 0.000 0.181 424 N C 1.210 176.762 175.510 0.071 0.000 1.017 424 N CA 0.934 54.023 53.050 0.065 0.000 0.866 424 N CB -0.022 38.523 38.487 0.096 0.000 0.985 424 N HN 0.569 nan 8.380 nan 0.000 0.429 425 L N -0.040 121.228 121.223 0.074 0.000 2.376 425 L HA 0.402 4.742 4.340 0.001 0.000 0.267 425 L C 0.642 177.528 176.870 0.026 0.000 1.035 425 L CA -1.142 53.744 54.840 0.078 0.000 0.800 425 L CB 1.295 43.422 42.059 0.114 0.000 1.290 425 L HN 0.086 nan 8.230 nan 0.000 0.462 426 S N -0.559 115.155 115.700 0.024 0.000 2.580 426 S HA 0.010 4.481 4.470 0.001 0.000 0.266 426 S C 0.865 175.414 174.600 -0.086 0.000 1.354 426 S CA -0.255 57.931 58.200 -0.023 0.000 1.008 426 S CB 0.787 63.990 63.200 0.004 0.000 0.898 426 S HN 0.720 nan 8.310 nan 0.000 0.555 427 K N 0.438 120.729 120.400 -0.182 0.000 2.063 427 K HA -0.224 4.096 4.320 0.001 0.000 0.208 427 K C 2.409 178.846 176.600 -0.271 0.000 1.048 427 K CA 1.734 57.797 56.287 -0.374 0.000 0.928 427 K CB -0.359 31.849 32.500 -0.486 0.000 0.713 427 K HN 0.819 nan 8.250 nan 0.000 0.442 428 Q N 0.198 119.907 119.800 -0.151 0.000 2.084 428 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 428 Q C 1.799 177.798 176.000 -0.002 0.000 0.978 428 Q CA 1.412 57.160 55.803 -0.092 0.000 0.844 428 Q CB 0.121 28.826 28.738 -0.054 0.000 0.898 428 Q HN 0.295 nan 8.270 nan 0.000 0.426 429 E N 0.537 120.774 120.200 0.063 0.000 2.077 429 E HA -0.223 4.127 4.350 0.001 0.000 0.193 429 E C 1.720 178.333 176.600 0.021 0.000 0.989 429 E CA 1.176 57.674 56.400 0.162 0.000 0.800 429 E CB -0.053 29.761 29.700 0.190 0.000 0.746 429 E HN 0.499 nan 8.360 nan 0.000 0.452 430 E N 0.507 120.664 120.200 -0.071 0.000 2.208 430 E HA -0.156 4.195 4.350 0.001 0.000 0.193 430 E C 1.981 178.431 176.600 -0.251 0.000 0.988 430 E CA 0.541 56.841 56.400 -0.166 0.000 0.828 430 E CB 0.183 29.862 29.700 -0.035 0.000 0.763 430 E HN 0.272 nan 8.360 nan 0.000 0.478 431 Q N 0.071 119.727 119.800 -0.240 0.000 2.079 431 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 431 Q C 2.329 178.213 176.000 -0.194 0.000 0.974 431 Q CA 1.022 56.556 55.803 -0.448 0.000 0.840 431 Q CB -0.094 28.374 28.738 -0.450 0.000 0.898 431 Q HN 0.260 nan 8.270 nan 0.000 0.430 432 L N 1.081 122.302 121.223 -0.004 0.000 2.046 432 L HA -0.238 4.102 4.340 0.001 0.000 0.208 432 L C 2.429 179.304 176.870 0.008 0.000 1.077 432 L CA 1.913 56.868 54.840 0.192 0.000 0.747 432 L CB -0.549 41.789 42.059 0.465 0.000 0.896 432 L HN 0.214 nan 8.230 nan 0.000 0.432 433 Q N -0.457 119.085 119.800 -0.430 0.000 2.096 433 Q HA -0.271 4.069 4.340 0.001 0.000 0.204 433 Q C 2.188 177.936 176.000 -0.419 0.000 0.982 433 Q CA 2.082 57.277 55.803 -1.013 0.000 0.850 433 Q CB -0.076 27.821 28.738 -1.401 0.000 0.901 433 Q HN 0.557 nan 8.270 nan 0.000 0.422 434 K N 0.099 120.328 120.400 -0.285 0.000 2.057 434 K HA -0.131 4.189 4.320 0.001 0.000 0.207 434 K C 2.125 178.829 176.600 0.173 0.000 1.049 434 K CA 1.570 57.793 56.287 -0.107 0.000 0.931 434 K CB -0.164 32.148 32.500 -0.314 0.000 0.714 434 K HN 0.295 nan 8.250 nan 0.000 0.440 435 I N 1.148 121.836 120.570 0.197 0.000 2.179 435 I HA -0.289 3.881 4.170 0.001 0.000 0.242 435 I C 2.129 178.344 176.117 0.164 0.000 1.088 435 I CA 0.982 62.533 61.300 0.418 0.000 1.357 435 I CB -0.292 37.981 38.000 0.456 0.000 1.051 435 I HN 0.115 nan 8.210 nan 0.000 0.409 436 I N 0.444 121.097 120.570 0.137 0.000 2.315 436 I HA -0.191 3.979 4.170 0.001 0.000 0.248 436 I C 2.585 178.723 176.117 0.035 0.000 1.117 436 I CA 1.625 62.996 61.300 0.118 0.000 1.404 436 I CB -1.725 36.426 38.000 0.252 0.000 1.071 436 I HN 0.246 nan 8.210 nan 0.000 0.419 437 T N 0.660 115.195 114.554 -0.032 0.000 2.777 437 T HA -0.148 4.202 4.350 0.001 0.000 0.266 437 T C 1.882 176.568 174.700 -0.023 0.000 1.040 437 T CA 1.069 63.095 62.100 -0.123 0.000 1.141 437 T CB -0.069 68.686 68.868 -0.189 0.000 0.868 437 T HN 0.268 nan 8.240 nan 0.000 0.444 438 Q N 0.781 120.558 119.800 -0.039 0.000 2.172 438 Q HA 0.045 4.385 4.340 0.001 0.000 0.200 438 Q C 2.234 177.919 176.000 -0.524 0.000 0.964 438 Q CA 1.036 56.753 55.803 -0.144 0.000 0.855 438 Q CB -0.234 28.444 28.738 -0.101 0.000 0.918 438 Q HN 0.496 nan 8.270 nan 0.000 0.444 439 K N -0.106 119.852 120.400 -0.737 0.000 2.097 439 K HA -0.174 4.146 4.320 0.001 0.000 0.205 439 K C 2.050 178.617 176.600 -0.055 0.000 1.050 439 K CA 0.831 56.763 56.287 -0.592 0.000 0.938 439 K CB -0.181 32.148 32.500 -0.285 0.000 0.718 439 K HN 0.127 nan 8.250 nan 0.000 0.442 440 Y N 1.390 121.649 120.300 -0.069 0.000 2.128 440 Y HA -0.234 4.317 4.550 0.001 0.000 0.284 440 Y C 1.616 177.634 175.900 0.197 0.000 1.154 440 Y CA 1.660 59.822 58.100 0.102 0.000 1.149 440 Y CB -0.127 38.369 38.460 0.060 0.000 0.976 440 Y HN -0.001 nan 8.280 nan 0.000 0.505 441 L N -0.222 121.163 121.223 0.271 0.000 2.093 441 L HA -0.168 4.173 4.340 0.001 0.000 0.208 441 L C 2.741 179.718 176.870 0.178 0.000 1.085 441 L CA 1.102 56.075 54.840 0.221 0.000 0.755 441 L CB -0.895 41.333 42.059 0.282 0.000 0.904 441 L HN 0.369 nan 8.230 nan 0.000 0.435 442 A N -0.397 122.510 122.820 0.146 0.000 2.067 442 A HA -0.028 4.293 4.320 0.001 0.000 0.217 442 A C 2.188 179.823 177.584 0.084 0.000 1.156 442 A CA 0.804 52.947 52.037 0.177 0.000 0.683 442 A CB -0.377 18.806 19.000 0.306 0.000 0.808 442 A HN 0.353 nan 8.150 nan 0.000 0.455 443 L N -1.670 119.586 121.223 0.055 0.000 2.313 443 L HA 0.008 4.349 4.340 0.001 0.000 0.214 443 L C 1.082 177.915 176.870 -0.062 0.000 1.119 443 L CA -0.138 54.717 54.840 0.025 0.000 0.809 443 L CB -0.383 41.733 42.059 0.094 0.000 0.933 443 L HN 0.546 nan 8.230 nan 0.000 0.449 444 Y N 3.653 123.708 120.300 -0.409 0.000 2.810 444 Y HA -0.045 4.506 4.550 0.001 0.000 0.332 444 Y C -1.581 173.993 175.900 -0.544 0.000 1.243 444 Y CA -1.506 56.063 58.100 -0.885 0.000 1.537 444 Y CB 0.462 38.085 38.460 -1.395 0.000 1.265 444 Y HN -0.058 nan 8.280 nan 0.000 0.572 445 P HA 0.033 nan 4.420 nan 0.000 0.248 445 P C -0.743 176.476 177.300 -0.136 0.000 1.708 445 P CA -0.073 62.398 63.100 -1.048 0.000 1.062 445 P CB -0.050 31.016 31.700 -1.056 0.000 1.562 446 N N 1.314 120.034 118.700 0.033 0.000 2.819 446 N HA 0.134 4.875 4.740 0.001 0.000 0.284 446 N C 1.323 176.969 175.510 0.227 0.000 1.196 446 N CA 0.034 53.171 53.050 0.146 0.000 1.114 446 N CB 0.121 38.673 38.487 0.108 0.000 1.437 446 N HN 0.043 nan 8.380 nan 0.000 0.518 447 A N 2.260 125.225 122.820 0.242 0.000 1.883 447 A HA -0.142 4.178 4.320 0.001 0.000 0.217 447 A C 2.136 179.768 177.584 0.081 0.000 1.186 447 A CA 1.544 53.627 52.037 0.076 0.000 0.624 447 A CB -0.514 18.584 19.000 0.163 0.000 0.822 447 A HN 0.387 nan 8.150 nan 0.000 0.444 448 V N 0.040 120.055 119.914 0.169 0.000 2.287 448 V HA -0.263 3.858 4.120 0.001 0.000 0.248 448 V C 2.623 178.807 176.094 0.149 0.000 1.053 448 V CA 2.486 64.925 62.300 0.231 0.000 1.027 448 V CB -0.797 31.174 31.823 0.247 0.000 0.646 448 V HN 0.718 nan 8.190 nan 0.000 0.447 449 E N 0.777 121.031 120.200 0.089 0.000 2.077 449 E HA -0.175 4.175 4.350 0.001 0.000 0.193 449 E C 2.102 178.720 176.600 0.031 0.000 0.989 449 E CA 1.689 58.105 56.400 0.027 0.000 0.800 449 E CB -0.507 29.198 29.700 0.008 0.000 0.746 449 E HN 0.519 nan 8.360 nan 0.000 0.452 450 A N -0.179 122.671 122.820 0.050 0.000 1.930 450 A HA -0.140 4.180 4.320 0.001 0.000 0.217 450 A C 2.071 179.759 177.584 0.173 0.000 1.175 450 A CA 1.423 53.497 52.037 0.062 0.000 0.627 450 A CB -1.196 17.686 19.000 -0.197 0.000 0.815 450 A HN 0.605 nan 8.150 nan 0.000 0.443 451 W N 1.370 122.640 121.300 -0.051 0.000 2.388 451 W HA -0.091 4.570 4.660 0.001 0.000 0.294 451 W C 2.040 178.598 176.519 0.065 0.000 1.212 451 W CA 1.977 59.340 57.345 0.030 0.000 1.271 451 W CB -0.901 28.554 29.460 -0.008 0.000 1.126 451 W HN 0.262 nan 8.180 nan 0.000 0.535 452 T N 0.904 115.408 114.554 -0.085 0.000 2.708 452 T HA -0.185 4.166 4.350 0.001 0.000 0.266 452 T C 1.555 176.023 174.700 -0.386 0.000 1.037 452 T CA 1.791 63.673 62.100 -0.363 0.000 1.146 452 T CB -0.261 68.390 68.868 -0.361 0.000 0.865 452 T HN 0.051 nan 8.240 nan 0.000 0.435 453 E N 0.356 120.447 120.200 -0.181 0.000 2.153 453 E HA -0.093 4.257 4.350 0.001 0.000 0.194 453 E C 1.847 178.421 176.600 -0.042 0.000 0.988 453 E CA 0.851 57.174 56.400 -0.128 0.000 0.811 453 E CB -0.358 29.341 29.700 -0.001 0.000 0.746 453 E HN 0.661 nan 8.360 nan 0.000 0.466 454 Y N 1.801 122.094 120.300 -0.012 0.000 2.163 454 Y HA -0.148 4.403 4.550 0.001 0.000 0.288 454 Y C 2.264 178.154 175.900 -0.018 0.000 1.136 454 Y CA 1.698 59.819 58.100 0.035 0.000 1.147 454 Y CB -0.079 38.468 38.460 0.144 0.000 0.987 454 Y HN -0.124 nan 8.280 nan 0.000 0.509 455 R N -0.141 120.301 120.500 -0.096 0.000 2.120 455 R HA -0.146 4.194 4.340 0.001 0.000 0.234 455 R C 2.501 178.740 176.300 -0.102 0.000 1.123 455 R CA 1.532 57.561 56.100 -0.118 0.000 0.975 455 R CB -0.291 30.036 30.300 0.045 0.000 0.866 455 R HN 0.352 nan 8.270 nan 0.000 0.446 456 R N 0.459 120.853 120.500 -0.176 0.000 2.062 456 R HA -0.087 4.253 4.340 0.001 0.000 0.226 456 R C 1.991 178.114 176.300 -0.295 0.000 1.125 456 R CA 1.988 57.985 56.100 -0.172 0.000 0.966 456 R CB -0.034 30.029 30.300 -0.394 0.000 0.861 456 R HN 0.292 nan 8.270 nan 0.000 0.433 457 T N -4.524 109.825 114.554 -0.342 0.000 3.034 457 T HA 0.248 4.599 4.350 0.001 0.000 0.248 457 T C 1.351 175.581 174.700 -0.782 0.000 1.040 457 T CA 0.631 62.458 62.100 -0.455 0.000 1.107 457 T CB 0.734 69.491 68.868 -0.185 0.000 0.932 457 T HN 0.419 nan 8.240 nan 0.000 0.474 458 G N 0.954 109.292 108.800 -0.770 0.000 2.176 458 G HA2 -0.109 3.852 3.960 0.001 0.000 0.232 458 G HA3 -0.109 3.852 3.960 0.001 0.000 0.232 458 G C -0.245 174.340 174.900 -0.524 0.000 0.986 458 G CA -0.094 44.490 45.100 -0.859 0.000 0.643 458 G HN 0.518 nan 8.290 nan 0.000 0.522 459 F N 1.619 121.525 119.950 -0.074 0.000 2.561 459 F HA 0.702 5.230 4.527 0.001 0.000 0.321 459 F C -1.727 174.172 175.800 0.165 0.000 1.065 459 F CA -2.984 55.041 58.000 0.041 0.000 0.934 459 F CB 1.846 40.803 39.000 -0.071 0.000 1.215 459 F HN -0.134 nan 8.300 nan 0.000 0.471 460 P HA 0.138 nan 4.420 nan 0.000 0.278 460 P C -1.076 176.439 177.300 0.359 0.000 1.266 460 P CA -0.280 62.872 63.100 0.086 0.000 0.807 460 P CB 0.722 32.159 31.700 -0.438 0.000 1.094 461 Y N -0.340 120.198 120.300 0.397 0.000 2.597 461 Y HA 0.138 4.689 4.550 0.001 0.000 0.336 461 Y C 1.139 177.186 175.900 0.246 0.000 1.216 461 Y CA 0.448 58.769 58.100 0.368 0.000 1.463 461 Y CB -0.526 38.129 38.460 0.325 0.000 1.303 461 Y HN 0.124 nan 8.280 nan 0.000 0.576 468 E N 1.509 121.615 120.200 -0.157 0.000 2.401 468 E HA -0.080 4.270 4.350 0.001 0.000 0.199 468 E C 1.480 177.943 176.600 -0.230 0.000 1.023 468 E CA 0.959 57.256 56.400 -0.171 0.000 0.859 468 E CB 0.274 29.911 29.700 -0.105 0.000 0.780 468 E HN 0.450 nan 8.360 nan 0.000 0.523 469 A N 0.936 123.586 122.820 -0.283 0.000 2.132 469 A HA 0.272 4.593 4.320 0.001 0.000 0.213 469 A C 2.254 179.633 177.584 -0.342 0.000 1.154 469 A CA 0.733 52.596 52.037 -0.290 0.000 0.753 469 A CB -0.045 18.756 19.000 -0.332 0.000 0.826 469 A HN 0.249 nan 8.150 nan 0.000 0.469 470 A N 1.294 123.819 122.820 -0.490 0.000 1.873 470 A HA -0.085 4.236 4.320 0.001 0.000 0.218 470 A C 0.172 177.369 177.584 -0.645 0.000 1.193 470 A CA 2.039 53.638 52.037 -0.731 0.000 0.629 470 A CB -1.668 16.492 19.000 -1.399 0.000 0.826 470 A HN 0.423 nan 8.150 nan 0.000 0.447 471 P HA -0.108 nan 4.420 nan 0.000 0.215 471 P C 1.667 178.956 177.300 -0.020 0.000 1.153 471 P CA 1.746 64.737 63.100 -0.182 0.000 0.853 471 P CB -0.360 31.253 31.700 -0.146 0.000 0.788 472 G N -0.208 108.532 108.800 -0.100 0.000 2.448 472 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 472 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 472 G C 1.555 176.427 174.900 -0.046 0.000 1.127 472 G CA 0.296 45.359 45.100 -0.061 0.000 0.766 472 G HN 0.251 nan 8.290 nan 0.000 0.552 473 R N 0.147 120.609 120.500 -0.063 0.000 2.148 473 R HA 0.018 4.359 4.340 0.001 0.000 0.227 473 R C 2.263 178.527 176.300 -0.060 0.000 1.103 473 R CA 1.274 57.337 56.100 -0.061 0.000 0.983 473 R CB -0.314 29.940 30.300 -0.077 0.000 0.874 473 R HN 0.676 nan 8.270 nan 0.000 0.451 474 I N -3.923 116.640 120.570 -0.012 0.000 3.956 474 I HA 0.394 4.564 4.170 0.001 0.000 0.333 474 I C 0.611 176.751 176.117 0.037 0.000 1.302 474 I CA 0.313 61.603 61.300 -0.016 0.000 1.122 474 I CB 0.768 38.764 38.000 -0.007 0.000 1.013 474 I HN 0.123 nan 8.210 nan 0.000 0.405 475 G N 1.560 110.378 108.800 0.030 0.000 2.142 475 G HA2 -0.024 3.937 3.960 0.001 0.000 0.225 475 G HA3 -0.024 3.937 3.960 0.001 0.000 0.225 475 G C 0.010 174.934 174.900 0.040 0.000 1.015 475 G CA -0.009 45.107 45.100 0.028 0.000 0.716 475 G HN 0.991 nan 8.290 nan 0.000 0.508 476 A N -0.787 122.069 122.820 0.060 0.000 2.485 476 A HA 1.003 5.324 4.320 0.001 0.000 0.292 476 A C 0.259 177.874 177.584 0.051 0.000 1.147 476 A CA 0.445 52.524 52.037 0.070 0.000 0.750 476 A CB 1.383 20.457 19.000 0.123 0.000 1.331 476 A HN 1.903 nan 8.150 nan 0.000 0.419 477 S N -0.311 115.416 115.700 0.045 0.000 2.608 477 S HA 0.490 4.960 4.470 0.001 0.000 0.291 477 S C 0.843 175.470 174.600 0.046 0.000 1.146 477 S CA -0.368 57.845 58.200 0.022 0.000 1.043 477 S CB 1.055 64.263 63.200 0.013 0.000 1.037 477 S HN 0.888 nan 8.310 nan 0.000 0.520 478 I N 0.653 121.233 120.570 0.018 0.000 2.567 478 I HA -0.127 4.044 4.170 0.001 0.000 0.257 478 I C 1.729 177.885 176.117 0.064 0.000 1.184 478 I CA 1.331 62.654 61.300 0.039 0.000 1.451 478 I CB -0.113 37.883 38.000 -0.006 0.000 1.089 478 I HN 0.756 nan 8.210 nan 0.000 0.441 479 E N 0.684 120.910 120.200 0.043 0.000 2.268 479 E HA -0.190 4.161 4.350 0.001 0.000 0.195 479 E C 1.479 178.111 176.600 0.053 0.000 0.995 479 E CA 1.079 57.503 56.400 0.040 0.000 0.836 479 E CB -0.052 29.660 29.700 0.020 0.000 0.763 479 E HN 0.533 nan 8.360 nan 0.000 0.491 480 D N -1.596 118.843 120.400 0.065 0.000 2.379 480 D HA 0.087 4.727 4.640 0.001 0.000 0.218 480 D C -0.203 176.164 176.300 0.112 0.000 1.006 480 D CA 0.401 54.441 54.000 0.068 0.000 0.893 480 D CB 0.488 41.318 40.800 0.050 0.000 1.019 480 D HN 0.073 nan 8.370 nan 0.000 0.503 481 C N 1.220 120.618 119.300 0.163 0.000 2.381 481 C HA 0.427 4.887 4.460 0.001 0.000 0.328 481 C C 1.377 176.579 174.990 0.353 0.000 1.190 481 C CA -0.848 58.319 59.018 0.247 0.000 1.369 481 C CB 1.612 29.509 27.740 0.262 0.000 2.029 481 C HN 0.154 nan 8.230 nan 0.000 0.448 482 R N 1.256 121.963 120.500 0.344 0.000 2.312 482 R HA 0.250 4.591 4.340 0.001 0.000 0.205 482 R C 0.325 176.888 176.300 0.438 0.000 0.904 482 R CA 0.489 56.794 56.100 0.342 0.000 1.052 482 R CB 0.500 30.924 30.300 0.206 0.000 1.014 482 R HN 0.725 nan 8.270 nan 0.000 0.503 483 V N -3.150 116.933 119.914 0.282 0.000 3.147 483 V HA 0.537 4.658 4.120 0.001 0.000 0.306 483 V C -3.060 172.773 176.094 -0.435 0.000 1.209 483 V CA -3.167 59.032 62.300 -0.169 0.000 1.023 483 V CB 2.521 34.407 31.823 0.104 0.000 1.059 483 V HN -0.205 nan 8.190 nan 0.000 0.435 484 P HA 0.295 nan 4.420 nan 0.000 0.269 484 P C 0.269 177.636 177.300 0.112 0.000 1.209 484 P CA 0.049 62.878 63.100 -0.452 0.000 0.776 484 P CB 0.572 32.025 31.700 -0.412 0.000 0.876 485 E N 1.975 122.220 120.200 0.074 0.000 2.371 485 E HA -0.029 4.322 4.350 0.001 0.000 0.194 485 E C 0.745 177.286 176.600 -0.099 0.000 1.012 485 E CA 0.868 57.270 56.400 0.004 0.000 0.860 485 E CB 0.159 29.839 29.700 -0.033 0.000 0.811 485 E HN 0.550 nan 8.360 nan 0.000 0.502 486 R N -2.031 118.498 120.500 0.048 0.000 2.829 486 R HA 0.271 4.612 4.340 0.001 0.000 0.284 486 R C -1.038 175.364 176.300 0.171 0.000 1.006 486 R CA -0.741 55.317 56.100 -0.069 0.000 0.844 486 R CB 0.169 30.383 30.300 -0.143 0.000 1.309 486 R HN -0.262 nan 8.270 nan 0.000 0.494 487 F N 1.175 120.906 119.950 -0.365 0.000 2.380 487 F HA 0.561 5.088 4.527 0.001 0.000 0.321 487 F C 0.797 176.369 175.800 -0.381 0.000 1.103 487 F CA -1.189 56.370 58.000 -0.736 0.000 1.067 487 F CB 1.455 39.778 39.000 -1.128 0.000 1.265 487 F HN 0.562 nan 8.300 nan 0.000 0.517 488 R N 0.443 120.936 120.500 -0.012 0.000 2.828 488 R HA 0.660 5.000 4.340 0.001 0.000 0.264 488 R C -1.498 174.919 176.300 0.195 0.000 1.022 488 R CA -0.624 55.578 56.100 0.171 0.000 1.021 488 R CB 0.811 31.290 30.300 0.297 0.000 1.163 488 R HN 0.244 nan 8.270 nan 0.000 0.494 489 F N 0.603 120.755 119.950 0.336 0.000 2.382 489 F HA 0.374 4.901 4.527 0.001 0.000 0.331 489 F C 0.941 176.840 175.800 0.164 0.000 1.121 489 F CA -0.303 57.812 58.000 0.192 0.000 1.183 489 F CB 0.987 39.987 39.000 -0.000 0.000 1.207 489 F HN 0.725 nan 8.300 nan 0.000 0.555 490 A N 3.737 126.725 122.820 0.280 0.000 2.492 490 A HA 0.233 4.554 4.320 0.001 0.000 0.254 490 A C -1.732 175.972 177.584 0.199 0.000 1.091 490 A CA -1.079 51.072 52.037 0.191 0.000 0.768 490 A CB -0.202 18.879 19.000 0.134 0.000 1.028 490 A HN 0.599 nan 8.150 nan 0.000 0.498 491 P HA -0.196 nan 4.420 nan 0.000 0.216 491 P C 1.717 179.051 177.300 0.055 0.000 1.150 491 P CA 2.226 65.332 63.100 0.010 0.000 0.843 491 P CB -0.026 31.644 31.700 -0.049 0.000 0.787 492 T N -3.350 111.244 114.554 0.068 0.000 2.962 492 T HA -0.030 4.321 4.350 0.001 0.000 0.270 492 T C 1.860 176.604 174.700 0.075 0.000 1.088 492 T CA 0.990 63.125 62.100 0.058 0.000 1.127 492 T CB -1.061 67.834 68.868 0.044 0.000 0.883 492 T HN 0.005 nan 8.240 nan 0.000 0.493 493 A N 0.664 123.538 122.820 0.090 0.000 1.978 493 A HA -0.023 4.297 4.320 0.001 0.000 0.220 493 A C 2.026 179.594 177.584 -0.026 0.000 1.170 493 A CA 1.206 53.239 52.037 -0.007 0.000 0.636 493 A CB -1.174 17.762 19.000 -0.107 0.000 0.810 493 A HN 0.591 nan 8.150 nan 0.000 0.448 494 Y N 0.329 120.538 120.300 -0.151 0.000 2.333 494 Y HA -0.158 4.393 4.550 0.001 0.000 0.290 494 Y C 2.121 177.953 175.900 -0.113 0.000 1.144 494 Y CA 1.404 59.405 58.100 -0.165 0.000 1.228 494 Y CB -0.734 37.640 38.460 -0.143 0.000 0.985 494 Y HN 0.484 nan 8.280 nan 0.000 0.542 495 N N -1.244 117.504 118.700 0.081 0.000 2.459 495 N HA -0.091 4.649 4.740 0.001 0.000 0.181 495 N C 1.266 176.778 175.510 0.003 0.000 1.046 495 N CA 0.910 53.979 53.050 0.033 0.000 0.904 495 N CB -0.011 38.492 38.487 0.027 0.000 0.964 495 N HN 0.086 nan 8.380 nan 0.000 0.444 496 S N -0.351 115.340 115.700 -0.016 0.000 2.540 496 S HA 0.102 4.573 4.470 0.001 0.000 0.218 496 S C -0.054 174.515 174.600 -0.050 0.000 0.977 496 S CA -0.262 57.922 58.200 -0.025 0.000 0.918 496 S CB 0.213 63.401 63.200 -0.019 0.000 0.806 496 S HN 0.259 nan 8.310 nan 0.000 0.496 497 N N 0.942 119.589 118.700 -0.089 0.000 2.629 497 N HA 0.312 5.053 4.740 0.001 0.000 0.277 497 N C -2.825 172.594 175.510 -0.152 0.000 1.188 497 N CA -1.505 51.476 53.050 -0.116 0.000 0.835 497 N CB 1.502 39.901 38.487 -0.148 0.000 1.420 497 N HN -0.250 nan 8.380 nan 0.000 0.542 498 P HA -0.059 nan 4.420 nan 0.000 0.219 498 P C -0.205 177.016 177.300 -0.132 0.000 1.146 498 P CA 1.100 64.147 63.100 -0.087 0.000 0.808 498 P CB 0.246 31.916 31.700 -0.050 0.000 0.779 502 E N 0.705 120.803 120.200 -0.169 0.000 2.427 502 E HA 0.017 4.368 4.350 0.001 0.000 0.196 502 E C 1.473 177.984 176.600 -0.148 0.000 1.028 502 E CA 0.754 57.075 56.400 -0.131 0.000 0.864 502 E CB -0.232 29.392 29.700 -0.126 0.000 0.813 502 E HN 0.698 nan 8.360 nan 0.000 0.514 503 I N 1.572 121.988 120.570 -0.257 0.000 2.151 503 I HA -0.245 3.926 4.170 0.001 0.000 0.243 503 I C -0.719 175.368 176.117 -0.050 0.000 1.080 503 I CA 1.270 62.431 61.300 -0.231 0.000 1.339 503 I CB -1.220 36.520 38.000 -0.433 0.000 1.039 503 I HN 0.187 nan 8.210 nan 0.000 0.409 504 P HA -0.139 nan 4.420 nan 0.000 0.215 504 P C 1.634 178.936 177.300 0.003 0.000 1.153 504 P CA 1.616 64.734 63.100 0.030 0.000 0.853 504 P CB -0.106 31.615 31.700 0.034 0.000 0.788 505 T N -0.361 114.184 114.554 -0.015 0.000 2.746 505 T HA -0.084 4.267 4.350 0.001 0.000 0.267 505 T C 1.721 176.407 174.700 -0.024 0.000 1.039 505 T CA 1.053 63.141 62.100 -0.020 0.000 1.142 505 T CB -0.919 67.933 68.868 -0.027 0.000 0.866 505 T HN 0.069 nan 8.240 nan 0.000 0.444 506 L N 0.298 121.499 121.223 -0.035 0.000 2.131 506 L HA -0.011 4.329 4.340 0.001 0.000 0.210 506 L C 2.373 179.229 176.870 -0.024 0.000 1.092 506 L CA 1.006 55.823 54.840 -0.037 0.000 0.759 506 L CB -0.515 41.519 42.059 -0.041 0.000 0.903 506 L HN 0.256 nan 8.230 nan 0.000 0.435 507 L N -0.674 120.547 121.223 -0.004 0.000 2.179 507 L HA 0.035 4.375 4.340 0.001 0.000 0.208 507 L C 1.585 178.451 176.870 -0.006 0.000 1.096 507 L CA 0.818 55.661 54.840 0.005 0.000 0.779 507 L CB -0.425 41.657 42.059 0.038 0.000 0.922 507 L HN 0.499 nan 8.230 nan 0.000 0.443 508 G N -0.365 108.432 108.800 -0.004 0.000 2.136 508 G HA2 -0.139 3.822 3.960 0.001 0.000 0.242 508 G HA3 -0.139 3.822 3.960 0.001 0.000 0.242 508 G C 0.321 175.219 174.900 -0.004 0.000 0.989 508 G CA 0.001 45.098 45.100 -0.005 0.000 0.682 508 G HN 0.693 nan 8.290 nan 0.000 0.522 509 G N -1.850 106.953 108.800 0.004 0.000 2.488 509 G HA2 0.739 4.700 3.960 0.001 0.000 0.301 509 G HA3 0.739 4.700 3.960 0.001 0.000 0.301 509 G C 0.231 175.146 174.900 0.025 0.000 1.339 509 G CA 0.370 45.475 45.100 0.009 0.000 0.803 509 G HN 1.484 nan 8.290 nan 0.000 0.482 510 G N -1.547 107.270 108.800 0.028 0.000 2.594 510 G HA2 0.489 4.450 3.960 0.001 0.000 0.243 510 G HA3 0.489 4.450 3.960 0.001 0.000 0.243 510 G C 0.297 175.243 174.900 0.077 0.000 1.229 510 G CA 0.696 45.820 45.100 0.041 0.000 0.843 510 G HN 1.215 nan 8.290 nan 0.000 0.578 511 D N 0.800 121.262 120.400 0.104 0.000 2.608 511 D HA 0.457 5.097 4.640 0.001 0.000 0.224 511 D C 0.594 176.996 176.300 0.170 0.000 1.123 511 D CA 0.130 54.239 54.000 0.182 0.000 1.030 511 D CB -0.696 nan 40.800 nan 0.000 1.093 511 D HN 0.713 nan 8.370 nan 0.000 0.497 512 I N -4.219 116.441 120.570 0.151 0.000 3.074 512 I HA 0.760 4.931 4.170 0.001 0.000 0.310 512 I C 1.487 177.722 176.117 0.198 0.000 1.153 512 I CA -1.286 60.114 61.300 0.166 0.000 0.993 512 I CB 2.017 40.078 38.000 0.100 0.000 1.237 512 I HN 0.015 nan 8.210 nan 0.000 0.443 513 G N 1.279 110.239 108.800 0.267 0.000 2.509 513 G HA2 -0.031 3.930 3.960 0.001 0.000 0.218 513 G HA3 -0.031 3.930 3.960 0.001 0.000 0.218 513 G C 1.188 176.179 174.900 0.152 0.000 1.124 513 G CA 0.844 46.142 45.100 0.329 0.000 0.776 513 G HN 0.879 nan 8.290 nan 0.000 0.547 514 A N -0.140 122.740 122.820 0.100 0.000 2.169 514 A HA 0.272 4.593 4.320 0.001 0.000 0.212 514 A C 1.355 178.959 177.584 0.032 0.000 1.153 514 A CA 0.562 52.638 52.037 0.065 0.000 0.756 514 A CB -0.114 18.922 19.000 0.061 0.000 0.813 514 A HN 0.178 nan 8.150 nan 0.000 0.471 515 T N 2.408 116.980 114.554 0.030 0.000 2.752 515 T HA 0.203 4.554 4.350 0.001 0.000 0.295 515 T C 0.089 174.751 174.700 -0.063 0.000 0.923 515 T CA -0.001 62.095 62.100 -0.007 0.000 1.112 515 T CB 0.359 69.233 68.868 0.011 0.000 0.884 515 T HN 0.327 nan 8.240 nan 0.000 0.525 516 K N 3.199 123.544 120.400 -0.092 0.000 2.436 516 K HA 0.236 4.556 4.320 0.001 0.000 0.275 516 K C 0.292 176.736 176.600 -0.260 0.000 0.999 516 K CA -0.252 55.934 56.287 -0.169 0.000 0.980 516 K CB 0.577 32.986 32.500 -0.152 0.000 0.919 516 K HN 0.478 nan 8.250 nan 0.000 0.484 517 L N 1.491 122.431 121.223 -0.470 0.000 2.468 517 L HA 0.075 4.416 4.340 0.001 0.000 0.254 517 L C 1.551 178.032 176.870 -0.650 0.000 1.171 517 L CA -0.464 53.974 54.840 -0.671 0.000 0.809 517 L CB 0.167 41.505 42.059 -1.201 0.000 1.155 517 L HN 0.802 nan 8.230 nan 0.000 0.473 518 W N 1.537 122.389 121.300 -0.748 0.000 2.321 518 W HA -0.210 4.451 4.660 0.001 0.000 0.306 518 W C 2.002 178.270 176.519 -0.418 0.000 1.217 518 W CA 1.099 58.135 57.345 -0.515 0.000 1.257 518 W CB -0.186 29.022 29.460 -0.420 0.000 1.145 518 W HN 0.581 nan 8.180 nan 0.000 0.509 519 W N 0.366 121.379 121.300 -0.480 0.000 3.292 519 W HA 0.407 5.067 4.660 0.001 0.000 0.263 519 W C -0.240 175.989 176.519 -0.484 0.000 1.318 519 W CA -0.529 56.396 57.345 -0.700 0.000 1.663 519 W CB -1.405 27.701 29.460 -0.590 0.000 1.114 519 W HN -0.407 nan 8.180 nan 0.000 0.706 520 V N 4.757 124.631 119.914 -0.067 0.000 2.479 520 V HA -0.023 4.098 4.120 0.001 0.000 0.281 520 V C 1.167 177.129 176.094 -0.219 0.000 1.031 520 V CA -0.189 62.076 62.300 -0.058 0.000 1.038 520 V CB -0.109 31.619 31.823 -0.159 0.000 0.981 520 V HN 0.199 nan 8.190 nan 0.000 0.478 521 R N 3.892 124.212 120.500 -0.301 0.000 2.643 521 R HA 0.288 4.629 4.340 0.001 0.000 0.270 521 R C 0.128 176.219 176.300 -0.347 0.000 1.061 521 R CA -0.380 55.464 56.100 -0.428 0.000 1.107 521 R CB 0.233 30.011 30.300 -0.869 0.000 0.999 521 R HN 0.534 nan 8.270 nan 0.000 0.460 522 S N 2.186 117.715 115.700 -0.286 0.000 2.572 522 S HA 0.007 4.478 4.470 0.001 0.000 0.279 522 S C 0.012 174.486 174.600 -0.209 0.000 1.341 522 S CA -0.413 57.667 58.200 -0.200 0.000 1.043 522 S CB 0.191 63.309 63.200 -0.136 0.000 0.887 522 S HN 0.847 nan 8.310 nan 0.000 0.516 523 N N 1.136 119.744 118.700 -0.153 0.000 2.725 523 N HA -0.184 4.557 4.740 0.001 0.000 0.251 523 N C -0.066 175.338 175.510 -0.176 0.000 1.031 523 N CA 0.526 53.499 53.050 -0.129 0.000 0.720 523 N CB -0.853 37.579 38.487 -0.092 0.000 0.930 523 N HN 0.616 nan 8.380 nan 0.000 0.543 524 R N 1.079 121.446 120.500 -0.221 0.000 2.502 524 R HA 0.085 4.425 4.340 0.001 0.000 0.292 524 R C -1.936 174.240 176.300 -0.208 0.000 0.998 524 R CA -0.602 55.323 56.100 -0.291 0.000 1.056 524 R CB 0.422 30.541 30.300 -0.302 0.000 0.939 524 R HN -0.035 nan 8.270 nan 0.000 0.411 525 P HA 0.039 nan 4.420 nan 0.000 0.269 525 P C -1.242 176.078 177.300 0.033 0.000 1.215 525 P CA 0.199 63.275 63.100 -0.040 0.000 0.780 525 P CB 0.576 32.303 31.700 0.044 0.000 0.898 526 K N 0.992 121.444 120.400 0.087 0.000 2.482 526 K HA 0.258 4.579 4.320 0.001 0.000 0.251 526 K C -0.589 175.943 176.600 -0.114 0.000 0.936 526 K CA -0.895 55.411 56.287 0.032 0.000 0.791 526 K CB 2.133 34.637 32.500 0.006 0.000 1.213 526 K HN 0.401 nan 8.250 nan 0.000 0.428 527 Q N 3.055 122.584 119.800 -0.453 0.000 2.315 527 Q HA 0.059 4.400 4.340 0.001 0.000 0.289 527 Q C -2.100 173.724 176.000 -0.294 0.000 1.044 527 Q CA -0.914 54.389 55.803 -0.834 0.000 0.920 527 Q CB 0.284 28.489 28.738 -0.889 0.000 1.214 527 Q HN 0.224 nan 8.270 nan 0.000 0.392 528 P HA -0.081 nan 4.420 nan 0.000 0.269 528 P C -0.548 176.701 177.300 -0.086 0.000 1.211 528 P CA -0.109 62.942 63.100 -0.082 0.000 0.781 528 P CB 0.542 32.218 31.700 -0.039 0.000 0.877 529 N N 0.000 118.665 118.700 -0.058 0.000 1.763 529 N HA 0.000 4.741 4.740 0.001 0.000 0.220 529 N CA 0.000 53.016 53.050 -0.057 0.000 0.885 529 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 529 N HN 0.000 nan 8.380 nan 0.000 0.667