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 2yr5_1_A DATA FIRST_RESID 16 DATA SEQUENCE KIATTVGEAR LSGINYRHPD SALVSYPVAA AAPLGRLPAG NYRIAIVGGG DATA SEQUENCE AGGIAALYEL GRLAATLPAG SGIDVQIYEA DPDSFLHDRX XXXAIKVRGL DATA SEQUENCE KAGRVSAALV HNGDPASGDT IYEVGAMRFP EIAGLTWHYA SAAFGDAAPI DATA SEQUENCE KVFPNPGKVP TEFVFGNRVD RYVGSDPKDW EDPDSPTLKV LGVVAGGLVG DATA SEQUENCE NPQGENVAMY PIANVDPAKI AAILNAATPP ADALERIQTK YWPEFIAQYD DATA SEQUENCE GLTLGAAVRE IVTVAFEKGT LPPVDGVLDV DESISYYVEL FGRFGFGTGG DATA SEQUENCE FKPLYNISLV EMMRLILWDY SNEYTLPVTE NVEFIRNLFL KAQNVGAGKL DATA SEQUENCE VVQVRQERVA NACHSGTASA RAQLLSYDSH NAVHSEAYDF VILAVPHDQL DATA SEQUENCE TPIVSRSGFE HAASQNLGDA GLGLETHTYN QVYPPLLLSD SSPAANARIV DATA SEQUENCE TAIGQLHMAR SSKVFATVKT AALDQPWVPQ WRGEPIKAVV SDSGLAASYV DATA SEQUENCE VPSPIVXXXX APEYSSLLAS YTWEDDSTRL RHDFGLYPQN PATETGTADG DATA SEQUENCE MYRTMVNRAY RYVKYAGASN AQPWWFYQLL AEARTADRFV FDWTTNKTAG DATA SEQUENCE GFKLDMTGDH HQSNLCFRYH THALAASLDN RFFIASDSYS HLGGWLEGAF DATA SEQUENCE MSALNAVAGL IVRANRGDVS ALSTEARPLV IGLRPVVKVP AA 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 16 K HA 0.000 nan 4.320 nan 0.000 0.191 16 K C 0.000 176.615 176.600 0.024 0.000 0.988 16 K CA 0.000 56.294 56.287 0.011 0.000 0.838 16 K CB 0.000 32.500 32.500 0.000 0.000 1.064 17 I N 2.247 122.839 120.570 0.037 0.000 2.352 17 I HA 0.306 4.476 4.170 0.000 0.000 0.290 17 I C 0.663 176.802 176.117 0.037 0.000 1.036 17 I CA -0.471 60.886 61.300 0.094 0.000 1.336 17 I CB 1.313 39.368 38.000 0.091 0.000 1.407 17 I HN 0.529 nan 8.210 nan 0.000 0.497 18 A N 4.153 126.960 122.820 -0.021 0.000 2.388 18 A HA 0.392 4.712 4.320 0.000 0.000 0.257 18 A C 0.959 178.418 177.584 -0.207 0.000 1.095 18 A CA -0.006 51.873 52.037 -0.265 0.000 0.791 18 A CB 0.221 18.838 19.000 -0.639 0.000 1.029 18 A HN 0.856 nan 8.150 nan 0.000 0.489 19 T N -1.815 112.628 114.554 -0.186 0.000 2.975 19 T HA 0.312 4.662 4.350 0.000 0.000 0.257 19 T C 0.541 175.154 174.700 -0.145 0.000 1.003 19 T CA 0.791 62.822 62.100 -0.114 0.000 0.932 19 T CB -0.400 68.431 68.868 -0.061 0.000 1.087 19 T HN 1.190 nan 8.240 nan 0.000 0.512 20 T N -1.565 112.858 114.554 -0.218 0.000 2.883 20 T HA 0.610 4.960 4.350 0.000 0.000 0.296 20 T C 1.070 175.594 174.700 -0.294 0.000 1.117 20 T CA -0.397 61.589 62.100 -0.189 0.000 1.006 20 T CB 1.680 70.473 68.868 -0.124 0.000 1.191 20 T HN -0.204 nan 8.240 nan 0.000 0.508 21 V N 1.736 121.535 119.914 -0.192 0.000 2.282 21 V HA -0.082 4.038 4.120 0.000 0.000 0.249 21 V C 2.863 178.856 176.094 -0.169 0.000 1.057 21 V CA 2.770 64.984 62.300 -0.144 0.000 1.032 21 V CB -1.366 30.505 31.823 0.080 0.000 0.645 21 V HN 1.115 nan 8.190 nan 0.000 0.447 22 G N -0.865 107.868 108.800 -0.112 0.000 2.422 22 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 22 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 22 G C 1.433 176.244 174.900 -0.148 0.000 1.146 22 G CA 0.894 45.941 45.100 -0.089 0.000 0.769 22 G HN 0.590 nan 8.290 nan 0.000 0.547 23 E N 0.578 120.652 120.200 -0.211 0.000 2.051 23 E HA -0.060 4.290 4.350 0.000 0.000 0.192 23 E C 2.932 179.325 176.600 -0.345 0.000 0.991 23 E CA 0.902 57.159 56.400 -0.239 0.000 0.799 23 E CB -0.215 29.345 29.700 -0.233 0.000 0.748 23 E HN 0.405 nan 8.360 nan 0.000 0.449 24 A N 1.504 123.971 122.820 -0.588 0.000 1.902 24 A HA -0.219 4.101 4.320 0.000 0.000 0.217 24 A C 2.117 179.407 177.584 -0.489 0.000 1.181 24 A CA 1.609 53.136 52.037 -0.850 0.000 0.623 24 A CB -0.499 17.362 19.000 -1.898 0.000 0.818 24 A HN 0.095 nan 8.150 nan 0.000 0.443 25 R N -0.298 120.055 120.500 -0.246 0.000 2.083 25 R HA -0.113 4.227 4.340 0.000 0.000 0.237 25 R C 1.935 178.252 176.300 0.029 0.000 1.137 25 R CA 1.788 57.919 56.100 0.051 0.000 0.951 25 R CB -0.421 29.939 30.300 0.101 0.000 0.851 25 R HN 0.536 nan 8.270 nan 0.000 0.434 26 L N -0.035 121.167 121.223 -0.035 0.000 2.141 26 L HA -0.114 4.226 4.340 0.000 0.000 0.209 26 L C 2.613 179.474 176.870 -0.016 0.000 1.094 26 L CA 1.050 55.881 54.840 -0.015 0.000 0.763 26 L CB -0.414 41.626 42.059 -0.031 0.000 0.908 26 L HN 0.281 nan 8.230 nan 0.000 0.437 27 S N 0.068 115.730 115.700 -0.063 0.000 2.382 27 S HA -0.122 4.348 4.470 0.000 0.000 0.228 27 S C 1.679 176.289 174.600 0.017 0.000 1.027 27 S CA 1.527 59.697 58.200 -0.050 0.000 0.991 27 S CB -0.175 62.954 63.200 -0.119 0.000 0.823 27 S HN 0.532 nan 8.310 nan 0.000 0.469 28 G N 0.012 108.852 108.800 0.067 0.000 3.393 28 G HA2 0.247 4.207 3.960 0.000 0.000 0.255 28 G HA3 0.247 4.207 3.960 0.000 0.000 0.255 28 G C 1.011 176.030 174.900 0.198 0.000 1.097 28 G CA -0.205 44.989 45.100 0.158 0.000 0.780 28 G HN 0.522 nan 8.290 nan 0.000 0.540 29 I N 0.038 120.691 120.570 0.138 0.000 2.361 29 I HA -0.144 4.026 4.170 0.000 0.000 0.251 29 I C 1.899 178.086 176.117 0.117 0.000 1.133 29 I CA 1.120 62.494 61.300 0.123 0.000 1.413 29 I CB 0.205 38.254 38.000 0.081 0.000 1.073 29 I HN 0.171 nan 8.210 nan 0.000 0.424 30 N N -1.378 117.392 118.700 0.117 0.000 2.299 30 N HA -0.046 4.694 4.740 0.000 0.000 0.187 30 N C -0.088 175.477 175.510 0.090 0.000 1.099 30 N CA -0.234 52.867 53.050 0.085 0.000 0.867 30 N CB 0.155 38.674 38.487 0.053 0.000 0.974 30 N HN 0.246 nan 8.380 nan 0.000 0.477 31 Y N 2.629 122.964 120.300 0.057 0.000 2.544 31 Y HA 0.074 4.624 4.550 0.000 0.000 0.330 31 Y C -0.158 175.741 175.900 -0.002 0.000 1.136 31 Y CA -0.195 57.916 58.100 0.018 0.000 1.417 31 Y CB 0.282 38.776 38.460 0.056 0.000 1.229 31 Y HN -0.117 nan 8.280 nan 0.000 0.532 32 R N 5.477 125.529 120.500 -0.746 0.000 2.387 32 R HA 0.297 4.637 4.340 0.000 0.000 0.314 32 R C -0.804 175.009 176.300 -0.812 0.000 0.958 32 R CA -0.873 54.942 56.100 -0.475 0.000 0.846 32 R CB 1.058 31.199 30.300 -0.265 0.000 1.147 32 R HN 0.699 nan 8.270 nan 0.000 0.447 33 H N 3.580 122.448 119.070 -0.336 0.000 2.615 33 H HA 0.056 4.612 4.556 0.000 0.000 0.363 33 H C -1.411 173.693 175.328 -0.374 0.000 1.148 33 H CA -1.620 54.237 56.048 -0.318 0.000 1.401 33 H CB 1.337 30.942 29.762 -0.262 0.000 1.461 33 H HN 0.418 nan 8.280 nan 0.000 0.588 34 P HA -0.087 nan 4.420 nan 0.000 0.223 34 P C 0.464 177.462 177.300 -0.503 0.000 1.151 34 P CA 1.039 63.667 63.100 -0.785 0.000 0.787 34 P CB 0.423 31.049 31.700 -1.789 0.000 0.788 35 D N -0.067 120.186 120.400 -0.244 0.000 2.355 35 D HA 0.009 4.649 4.640 0.000 0.000 0.218 35 D C 0.603 177.071 176.300 0.281 0.000 1.004 35 D CA 0.853 54.907 54.000 0.090 0.000 0.880 35 D CB 0.218 40.998 40.800 -0.034 0.000 0.911 35 D HN 0.297 nan 8.370 nan 0.000 0.528 36 S N -0.606 115.226 115.700 0.220 0.000 2.694 36 S HA 0.489 4.959 4.470 0.000 0.000 0.232 36 S C 0.875 175.582 174.600 0.178 0.000 1.017 36 S CA -0.596 57.807 58.200 0.338 0.000 1.139 36 S CB 0.932 64.500 63.200 0.613 0.000 1.247 36 S HN 0.088 nan 8.310 nan 0.000 0.452 37 A N 1.107 123.968 122.820 0.069 0.000 2.168 37 A HA 0.338 4.658 4.320 0.000 0.000 0.215 37 A C 1.618 179.206 177.584 0.006 0.000 1.152 37 A CA 0.540 52.563 52.037 -0.024 0.000 0.716 37 A CB -0.523 18.438 19.000 -0.065 0.000 0.794 37 A HN 0.665 nan 8.150 nan 0.000 0.465 38 L N -0.760 120.494 121.223 0.052 0.000 2.599 38 L HA 0.165 4.505 4.340 0.000 0.000 0.230 38 L C 0.231 177.117 176.870 0.028 0.000 1.141 38 L CA 0.122 54.983 54.840 0.034 0.000 0.877 38 L CB 0.164 42.247 42.059 0.040 0.000 1.009 38 L HN 0.225 nan 8.230 nan 0.000 0.447 39 V N -1.223 118.725 119.914 0.056 0.000 2.808 39 V HA 0.335 4.455 4.120 0.000 0.000 0.308 39 V C -0.702 175.458 176.094 0.109 0.000 1.099 39 V CA -0.559 61.764 62.300 0.039 0.000 0.920 39 V CB 2.503 34.309 31.823 -0.030 0.000 1.014 39 V HN 0.017 nan 8.190 nan 0.000 0.425 40 S N 5.311 121.053 115.700 0.071 0.000 2.430 40 S HA 0.366 4.836 4.470 0.000 0.000 0.289 40 S C 0.498 175.185 174.600 0.145 0.000 1.143 40 S CA -0.241 58.035 58.200 0.128 0.000 1.067 40 S CB 0.459 63.700 63.200 0.068 0.000 0.964 40 S HN 0.683 nan 8.310 nan 0.000 0.485 41 Y N 5.126 125.455 120.300 0.050 0.000 2.207 41 Y HA 0.041 4.591 4.550 0.000 0.000 0.287 41 Y C -0.757 175.088 175.900 -0.091 0.000 1.156 41 Y CA 1.135 59.243 58.100 0.013 0.000 1.182 41 Y CB -1.715 36.789 38.460 0.073 0.000 0.979 41 Y HN 0.578 nan 8.280 nan 0.000 0.521 42 P HA -0.167 nan 4.420 nan 0.000 0.215 42 P C 1.903 179.085 177.300 -0.197 0.000 1.153 42 P CA 1.681 64.678 63.100 -0.170 0.000 0.853 42 P CB 0.009 31.703 31.700 -0.011 0.000 0.788 43 V N 0.116 119.984 119.914 -0.076 0.000 2.358 43 V HA -0.218 3.902 4.120 0.000 0.000 0.246 43 V C 2.472 178.506 176.094 -0.100 0.000 1.047 43 V CA 2.138 64.397 62.300 -0.068 0.000 1.035 43 V CB -1.758 30.048 31.823 -0.029 0.000 0.658 43 V HN 0.093 nan 8.190 nan 0.000 0.452 44 A N 0.024 122.769 122.820 -0.125 0.000 1.978 44 A HA -0.077 4.243 4.320 0.000 0.000 0.220 44 A C 2.220 179.715 177.584 -0.147 0.000 1.170 44 A CA 1.939 53.886 52.037 -0.151 0.000 0.636 44 A CB -0.549 18.310 19.000 -0.234 0.000 0.810 44 A HN 0.599 nan 8.150 nan 0.000 0.448 45 A N -0.896 121.799 122.820 -0.210 0.000 2.251 45 A HA 0.508 4.828 4.320 0.000 0.000 0.209 45 A C 2.140 179.645 177.584 -0.133 0.000 1.187 45 A CA 1.132 53.035 52.037 -0.224 0.000 0.823 45 A CB -0.593 18.116 19.000 -0.485 0.000 0.846 45 A HN 0.820 nan 8.150 nan 0.000 0.486 46 A N 0.213 122.974 122.820 -0.098 0.000 1.877 46 A HA 0.385 4.705 4.320 0.000 0.000 0.216 46 A C 1.501 179.130 177.584 0.075 0.000 1.186 46 A CA 1.459 53.523 52.037 0.045 0.000 0.620 46 A CB -0.600 18.409 19.000 0.014 0.000 0.822 46 A HN 1.043 nan 8.150 nan 0.000 0.443 47 A N -0.964 121.869 122.820 0.022 0.000 2.299 47 A HA 0.666 4.986 4.320 0.000 0.000 0.332 47 A C -2.699 174.882 177.584 -0.004 0.000 1.131 47 A CA -2.013 50.030 52.037 0.010 0.000 0.844 47 A CB 0.078 19.071 19.000 -0.011 0.000 1.251 47 A HN 0.157 nan 8.150 nan 0.000 0.486 48 P HA 0.023 nan 4.420 nan 0.000 0.266 48 P C 0.587 177.853 177.300 -0.057 0.000 1.186 48 P CA 0.195 63.266 63.100 -0.049 0.000 0.767 48 P CB 0.307 31.966 31.700 -0.067 0.000 0.820 49 L N 0.642 121.823 121.223 -0.071 0.000 2.201 49 L HA 0.080 4.420 4.340 0.000 0.000 0.212 49 L C 1.421 178.234 176.870 -0.096 0.000 1.105 49 L CA 1.474 56.262 54.840 -0.087 0.000 0.775 49 L CB -0.635 41.364 42.059 -0.101 0.000 0.913 49 L HN 0.656 nan 8.230 nan 0.000 0.440 50 G N -1.460 107.281 108.800 -0.098 0.000 2.364 50 G HA2 0.335 4.295 3.960 0.000 0.000 0.286 50 G HA3 0.335 4.295 3.960 0.000 0.000 0.286 50 G C -1.546 173.297 174.900 -0.094 0.000 1.241 50 G CA -0.780 44.264 45.100 -0.094 0.000 0.887 50 G HN -0.211 nan 8.290 nan 0.000 0.484 51 R N -0.531 119.915 120.500 -0.090 0.000 2.744 51 R HA 0.684 5.024 4.340 0.000 0.000 0.279 51 R C -1.045 175.203 176.300 -0.087 0.000 0.977 51 R CA -0.691 55.363 56.100 -0.078 0.000 0.906 51 R CB 1.799 32.071 30.300 -0.047 0.000 1.197 51 R HN 0.460 nan 8.270 nan 0.000 0.463 52 L N 2.525 123.698 121.223 -0.083 0.000 2.334 52 L HA 0.524 4.864 4.340 0.000 0.000 0.273 52 L C -1.976 174.926 176.870 0.054 0.000 1.013 52 L CA -2.148 52.652 54.840 -0.066 0.000 0.816 52 L CB 1.752 43.681 42.059 -0.216 0.000 1.278 52 L HN 0.254 nan 8.230 nan 0.000 0.431 53 P HA 0.088 nan 4.420 nan 0.000 0.270 53 P C -0.589 176.837 177.300 0.210 0.000 1.223 53 P CA -0.390 62.798 63.100 0.147 0.000 0.785 53 P CB 0.466 32.256 31.700 0.151 0.000 0.923 54 A N 1.497 124.391 122.820 0.124 0.000 2.561 54 A HA 0.468 4.788 4.320 0.000 0.000 0.234 54 A C 0.789 178.417 177.584 0.074 0.000 1.055 54 A CA 1.223 53.323 52.037 0.106 0.000 0.756 54 A CB -1.008 18.022 19.000 0.050 0.000 0.986 54 A HN 0.793 nan 8.150 nan 0.000 0.505 55 G N 1.114 109.940 108.800 0.044 0.000 2.328 55 G HA2 0.346 4.306 3.960 0.000 0.000 0.299 55 G HA3 0.346 4.306 3.960 0.000 0.000 0.299 55 G C -1.465 173.360 174.900 -0.125 0.000 1.435 55 G CA -0.958 44.040 45.100 -0.171 0.000 0.865 55 G HN 0.693 nan 8.290 nan 0.000 0.601 56 N N 0.626 119.209 118.700 -0.195 0.000 2.621 56 N HA 0.371 5.111 4.740 0.000 0.000 0.237 56 N C -1.188 174.259 175.510 -0.105 0.000 0.997 56 N CA -0.123 52.893 53.050 -0.057 0.000 0.918 56 N CB 1.215 39.687 38.487 -0.026 0.000 1.122 56 N HN 0.377 nan 8.380 nan 0.000 0.510 57 Y N 0.889 121.234 120.300 0.074 0.000 2.299 57 Y HA 0.309 4.859 4.550 0.000 0.000 0.326 57 Y C 0.961 176.928 175.900 0.112 0.000 1.164 57 Y CA -0.362 57.806 58.100 0.112 0.000 1.234 57 Y CB 1.258 39.816 38.460 0.164 0.000 1.219 57 Y HN 0.059 nan 8.280 nan 0.000 0.497 58 R N 3.931 124.581 120.500 0.249 0.000 2.337 58 R HA 0.564 4.904 4.340 0.000 0.000 0.319 58 R C -1.327 175.186 176.300 0.356 0.000 0.954 58 R CA -0.328 55.927 56.100 0.258 0.000 0.840 58 R CB 0.947 31.346 30.300 0.165 0.000 1.164 58 R HN 0.617 nan 8.270 nan 0.000 0.472 59 I N 1.509 122.268 120.570 0.314 0.000 2.646 59 I HA 0.583 4.753 4.170 0.000 0.000 0.299 59 I C -0.236 175.862 176.117 -0.033 0.000 1.036 59 I CA -1.040 60.380 61.300 0.199 0.000 1.074 59 I CB 2.226 40.340 38.000 0.190 0.000 1.258 59 I HN 0.555 nan 8.210 nan 0.000 0.430 60 A N 6.531 129.155 122.820 -0.326 0.000 2.350 60 A HA 0.851 5.171 4.320 0.000 0.000 0.324 60 A C -0.843 176.669 177.584 -0.120 0.000 1.118 60 A CA -0.492 51.284 52.037 -0.435 0.000 0.783 60 A CB 0.982 19.385 19.000 -0.995 0.000 1.236 60 A HN 0.636 nan 8.150 nan 0.000 0.457 61 I N 2.385 122.960 120.570 0.008 0.000 2.389 61 I HA 0.304 4.474 4.170 0.000 0.000 0.288 61 I C -0.808 175.377 176.117 0.115 0.000 0.999 61 I CA -0.812 60.526 61.300 0.064 0.000 1.129 61 I CB 2.022 40.071 38.000 0.082 0.000 1.288 61 I HN 0.292 nan 8.210 nan 0.000 0.444 62 V N 5.636 125.593 119.914 0.072 0.000 2.334 62 V HA 0.751 4.871 4.120 0.000 0.000 0.267 62 V C 0.481 176.630 176.094 0.091 0.000 1.040 62 V CA -0.337 62.003 62.300 0.066 0.000 0.866 62 V CB 0.469 32.270 31.823 -0.037 0.000 1.019 62 V HN 1.060 nan 8.190 nan 0.000 0.468 63 G N 3.494 112.357 108.800 0.104 0.000 3.363 63 G HA2 0.207 4.167 3.960 0.000 0.000 0.685 63 G HA3 0.207 4.167 3.960 0.000 0.000 0.685 63 G C 0.043 174.979 174.900 0.061 0.000 1.199 63 G CA -0.502 44.646 45.100 0.080 0.000 0.946 63 G HN 1.163 nan 8.290 nan 0.000 0.558 64 G N 0.680 109.493 108.800 0.023 0.000 4.125 64 G HA2 0.682 4.642 3.960 0.000 0.000 0.301 64 G HA3 0.682 4.642 3.960 0.000 0.000 0.301 64 G C 0.812 175.753 174.900 0.067 0.000 1.273 64 G CA 0.908 46.007 45.100 -0.002 0.000 1.095 64 G HN 1.255 nan 8.290 nan 0.000 0.582 65 G N -0.656 108.180 108.800 0.060 0.000 2.531 65 G HA2 0.492 4.452 3.960 0.000 0.000 0.281 65 G HA3 0.492 4.452 3.960 0.000 0.000 0.281 65 G C 1.363 176.271 174.900 0.013 0.000 1.382 65 G CA 0.284 45.410 45.100 0.042 0.000 1.045 65 G HN 0.358 nan 8.290 nan 0.000 0.533 66 A N -0.798 121.981 122.820 -0.068 0.000 1.892 66 A HA 0.017 4.337 4.320 0.000 0.000 0.218 66 A C 2.566 180.158 177.584 0.015 0.000 1.188 66 A CA 2.628 54.598 52.037 -0.112 0.000 0.631 66 A CB -1.247 17.500 19.000 -0.422 0.000 0.822 66 A HN 1.069 nan 8.150 nan 0.000 0.447 67 G N -0.878 107.923 108.800 0.003 0.000 2.421 67 G HA2 0.038 3.998 3.960 0.000 0.000 0.216 67 G HA3 0.038 3.998 3.960 0.000 0.000 0.216 67 G C 1.538 176.497 174.900 0.099 0.000 1.171 67 G CA 1.267 46.417 45.100 0.083 0.000 0.775 67 G HN 0.744 nan 8.290 nan 0.000 0.543 68 G N 0.796 109.647 108.800 0.084 0.000 2.408 68 G HA2 -0.105 3.855 3.960 0.000 0.000 0.217 68 G HA3 -0.105 3.855 3.960 0.000 0.000 0.217 68 G C 1.626 176.582 174.900 0.094 0.000 1.150 68 G CA 0.804 45.959 45.100 0.092 0.000 0.776 68 G HN 0.314 nan 8.290 nan 0.000 0.542 69 I N 1.723 122.347 120.570 0.090 0.000 2.353 69 I HA 0.006 4.176 4.170 0.000 0.000 0.248 69 I C 3.178 179.302 176.117 0.013 0.000 1.119 69 I CA 0.920 62.282 61.300 0.102 0.000 1.417 69 I CB -1.265 36.810 38.000 0.126 0.000 1.078 69 I HN 0.240 nan 8.210 nan 0.000 0.421 70 A N 1.145 123.927 122.820 -0.064 0.000 1.902 70 A HA -0.114 4.206 4.320 0.000 0.000 0.217 70 A C 2.592 180.158 177.584 -0.031 0.000 1.181 70 A CA 1.943 53.828 52.037 -0.252 0.000 0.623 70 A CB -0.740 18.074 19.000 -0.310 0.000 0.818 70 A HN 0.391 nan 8.150 nan 0.000 0.443 71 A N -0.495 122.352 122.820 0.044 0.000 1.902 71 A HA -0.068 4.252 4.320 0.000 0.000 0.217 71 A C 2.145 179.756 177.584 0.045 0.000 1.181 71 A CA 1.754 53.824 52.037 0.055 0.000 0.623 71 A CB -0.649 18.391 19.000 0.067 0.000 0.818 71 A HN 0.668 nan 8.150 nan 0.000 0.443 72 L N -1.605 119.658 121.223 0.067 0.000 2.012 72 L HA -0.181 4.159 4.340 0.000 0.000 0.210 72 L C 2.344 179.239 176.870 0.043 0.000 1.073 72 L CA 2.491 57.369 54.840 0.063 0.000 0.748 72 L CB -0.831 41.299 42.059 0.119 0.000 0.891 72 L HN 0.539 nan 8.230 nan 0.000 0.431 73 Y N 0.359 120.622 120.300 -0.061 0.000 2.151 73 Y HA -0.274 4.276 4.550 0.000 0.000 0.284 73 Y C 2.410 178.289 175.900 -0.036 0.000 1.166 73 Y CA 2.180 60.236 58.100 -0.072 0.000 1.163 73 Y CB -0.087 38.293 38.460 -0.133 0.000 0.974 73 Y HN 0.295 nan 8.280 nan 0.000 0.511 74 E N 0.334 120.549 120.200 0.025 0.000 2.106 74 E HA -0.159 4.191 4.350 0.000 0.000 0.192 74 E C 2.339 178.862 176.600 -0.128 0.000 0.984 74 E CA 1.234 57.608 56.400 -0.044 0.000 0.806 74 E CB -0.469 29.265 29.700 0.056 0.000 0.750 74 E HN 0.566 nan 8.360 nan 0.000 0.458 75 L N 0.196 121.357 121.223 -0.104 0.000 2.083 75 L HA -0.101 4.239 4.340 0.000 0.000 0.209 75 L C 2.491 179.278 176.870 -0.140 0.000 1.083 75 L CA 1.269 56.037 54.840 -0.120 0.000 0.752 75 L CB -0.774 41.238 42.059 -0.078 0.000 0.899 75 L HN 0.180 nan 8.230 nan 0.000 0.433 76 G N -0.245 108.456 108.800 -0.166 0.000 2.421 76 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 76 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 76 G C 1.730 176.500 174.900 -0.218 0.000 1.171 76 G CA 0.275 45.262 45.100 -0.187 0.000 0.775 76 G HN 0.202 nan 8.290 nan 0.000 0.543 77 R N -0.053 120.263 120.500 -0.306 0.000 2.096 77 R HA 0.050 4.390 4.340 0.000 0.000 0.235 77 R C 2.633 178.835 176.300 -0.163 0.000 1.127 77 R CA 0.721 56.669 56.100 -0.254 0.000 0.968 77 R CB -0.694 29.439 30.300 -0.278 0.000 0.861 77 R HN 0.373 nan 8.270 nan 0.000 0.440 78 L N 0.192 121.321 121.223 -0.157 0.000 2.056 78 L HA -0.130 4.210 4.340 0.000 0.000 0.207 78 L C 2.715 179.513 176.870 -0.120 0.000 1.078 78 L CA 1.209 55.965 54.840 -0.140 0.000 0.749 78 L CB -0.675 41.281 42.059 -0.171 0.000 0.901 78 L HN 0.186 nan 8.230 nan 0.000 0.433 79 A N 0.214 122.966 122.820 -0.113 0.000 1.908 79 A HA -0.195 4.125 4.320 0.000 0.000 0.218 79 A C 2.486 180.035 177.584 -0.058 0.000 1.181 79 A CA 1.728 53.720 52.037 -0.075 0.000 0.627 79 A CB -0.679 18.284 19.000 -0.062 0.000 0.818 79 A HN 0.410 nan 8.150 nan 0.000 0.445 80 A N -0.404 122.371 122.820 -0.075 0.000 2.125 80 A HA -0.056 4.264 4.320 0.000 0.000 0.219 80 A C 2.232 179.788 177.584 -0.046 0.000 1.156 80 A CA 2.198 54.200 52.037 -0.059 0.000 0.671 80 A CB -1.129 17.827 19.000 -0.073 0.000 0.794 80 A HN 0.827 nan 8.150 nan 0.000 0.459 81 T N -2.527 111.996 114.554 -0.051 0.000 3.100 81 T HA 0.345 4.695 4.350 0.000 0.000 0.253 81 T C 0.588 175.274 174.700 -0.024 0.000 1.118 81 T CA -0.172 61.904 62.100 -0.040 0.000 1.058 81 T CB -0.498 68.341 68.868 -0.049 0.000 0.953 81 T HN 0.232 nan 8.240 nan 0.000 0.515 82 L N 2.700 123.914 121.223 -0.015 0.000 2.436 82 L HA 0.390 4.730 4.340 0.000 0.000 0.265 82 L C -1.729 175.149 176.870 0.014 0.000 1.168 82 L CA -2.347 52.500 54.840 0.012 0.000 0.815 82 L CB 0.476 42.558 42.059 0.038 0.000 1.109 82 L HN 0.103 nan 8.230 nan 0.000 0.462 83 P HA 0.140 nan 4.420 nan 0.000 0.276 83 P C -0.958 176.353 177.300 0.018 0.000 1.261 83 P CA -0.582 62.528 63.100 0.017 0.000 0.800 83 P CB 0.653 32.364 31.700 0.019 0.000 1.066 84 A N 0.212 123.039 122.820 0.011 0.000 2.561 84 A HA 0.364 4.684 4.320 0.000 0.000 0.234 84 A C 1.492 179.084 177.584 0.014 0.000 1.055 84 A CA 1.009 53.052 52.037 0.010 0.000 0.756 84 A CB -1.633 17.370 19.000 0.006 0.000 0.986 84 A HN 0.928 nan 8.150 nan 0.000 0.505 85 G N 1.226 110.035 108.800 0.014 0.000 2.225 85 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 85 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 85 G C 0.537 175.450 174.900 0.022 0.000 0.988 85 G CA 0.524 45.633 45.100 0.014 0.000 0.625 85 G HN 1.233 nan 8.290 nan 0.000 0.527 86 S N -0.187 115.534 115.700 0.035 0.000 2.690 86 S HA 0.870 5.340 4.470 0.000 0.000 0.291 86 S C 0.484 175.129 174.600 0.075 0.000 1.138 86 S CA 0.345 58.583 58.200 0.063 0.000 1.013 86 S CB 1.868 65.121 63.200 0.087 0.000 1.053 86 S HN 1.759 nan 8.310 nan 0.000 0.539 87 G N 0.166 109.039 108.800 0.123 0.000 2.441 87 G HA2 0.537 4.497 3.960 0.000 0.000 0.294 87 G HA3 0.537 4.497 3.960 0.000 0.000 0.294 87 G C -2.057 172.953 174.900 0.184 0.000 1.393 87 G CA -0.727 44.440 45.100 0.112 0.000 0.796 87 G HN 0.609 nan 8.290 nan 0.000 0.494 88 I N 0.992 121.637 120.570 0.126 0.000 2.498 88 I HA 0.342 4.512 4.170 0.000 0.000 0.290 88 I C -1.227 174.954 176.117 0.107 0.000 1.032 88 I CA -0.730 60.659 61.300 0.149 0.000 1.073 88 I CB 2.298 40.340 38.000 0.070 0.000 1.251 88 I HN 0.423 nan 8.210 nan 0.000 0.426 89 D N 6.259 126.738 120.400 0.132 0.000 2.256 89 D HA 0.426 5.066 4.640 0.000 0.000 0.240 89 D C -1.320 175.059 176.300 0.130 0.000 1.062 89 D CA -0.261 53.806 54.000 0.112 0.000 0.832 89 D CB 2.310 43.177 40.800 0.112 0.000 1.135 89 D HN 0.141 nan 8.370 nan 0.000 0.484 90 V N 4.254 124.227 119.914 0.098 0.000 2.448 90 V HA 0.220 4.340 4.120 0.000 0.000 0.295 90 V C -0.093 176.052 176.094 0.085 0.000 1.025 90 V CA -0.851 61.505 62.300 0.092 0.000 0.859 90 V CB 1.757 33.621 31.823 0.069 0.000 0.988 90 V HN 0.510 nan 8.190 nan 0.000 0.431 91 Q N 4.749 124.599 119.800 0.083 0.000 2.303 91 Q HA 0.549 4.889 4.340 0.000 0.000 0.257 91 Q C -0.754 175.255 176.000 0.016 0.000 0.941 91 Q CA -0.149 55.671 55.803 0.028 0.000 0.931 91 Q CB 2.344 31.132 28.738 0.083 0.000 1.215 91 Q HN 0.641 nan 8.270 nan 0.000 0.437 92 I N 3.217 123.784 120.570 -0.005 0.000 2.339 92 I HA 0.248 4.418 4.170 0.000 0.000 0.290 92 I C -0.549 175.566 176.117 -0.003 0.000 0.994 92 I CA -0.802 60.527 61.300 0.048 0.000 1.191 92 I CB 0.587 38.611 38.000 0.040 0.000 1.343 92 I HN 0.427 nan 8.210 nan 0.000 0.458 93 Y N 4.568 124.864 120.300 -0.007 0.000 2.327 93 Y HA 0.408 4.958 4.550 0.000 0.000 0.336 93 Y C 0.277 176.187 175.900 0.016 0.000 1.035 93 Y CA -0.383 57.725 58.100 0.014 0.000 1.165 93 Y CB 1.179 39.650 38.460 0.019 0.000 1.181 93 Y HN 0.464 nan 8.280 nan 0.000 0.494 94 E N 2.118 122.418 120.200 0.167 0.000 2.343 94 E HA 0.512 4.862 4.350 0.000 0.000 0.260 94 E C -0.536 176.196 176.600 0.220 0.000 0.908 94 E CA -0.355 56.120 56.400 0.126 0.000 0.814 94 E CB 1.200 30.867 29.700 -0.056 0.000 1.302 94 E HN 0.627 nan 8.360 nan 0.000 0.408 95 A N 3.773 126.690 122.820 0.162 0.000 2.067 95 A HA 0.017 4.337 4.320 0.000 0.000 0.217 95 A C 0.867 178.523 177.584 0.121 0.000 1.156 95 A CA 0.667 52.783 52.037 0.132 0.000 0.683 95 A CB -0.214 18.855 19.000 0.116 0.000 0.808 95 A HN 0.551 nan 8.150 nan 0.000 0.455 96 D N 0.338 120.821 120.400 0.138 0.000 2.358 96 D HA 0.140 4.780 4.640 0.000 0.000 0.258 96 D C -1.361 175.035 176.300 0.160 0.000 1.223 96 D CA -2.098 51.974 54.000 0.121 0.000 0.886 96 D CB 1.139 42.001 40.800 0.103 0.000 1.120 96 D HN 0.104 nan 8.370 nan 0.000 0.482 97 P HA -0.100 nan 4.420 nan 0.000 0.222 97 P C 0.208 177.586 177.300 0.131 0.000 1.147 97 P CA 0.792 63.944 63.100 0.087 0.000 0.790 97 P CB 0.441 32.152 31.700 0.019 0.000 0.780 98 D N -0.506 119.955 120.400 0.102 0.000 2.340 98 D HA 0.010 4.650 4.640 0.000 0.000 0.220 98 D C 0.778 177.114 176.300 0.060 0.000 1.039 98 D CA 0.302 54.347 54.000 0.075 0.000 0.866 98 D CB -0.036 40.798 40.800 0.058 0.000 0.913 98 D HN 0.130 nan 8.370 nan 0.000 0.523 99 S N 0.466 116.187 115.700 0.035 0.000 2.560 99 S HA -0.040 4.430 4.470 0.000 0.000 0.284 99 S C 1.402 175.902 174.600 -0.166 0.000 1.327 99 S CA -0.668 57.470 58.200 -0.103 0.000 1.055 99 S CB 0.266 63.252 63.200 -0.355 0.000 0.868 99 S HN 0.245 nan 8.310 nan 0.000 0.506 100 F N 4.064 123.920 119.950 -0.157 0.000 2.307 100 F HA -0.044 4.483 4.527 0.000 0.000 0.301 100 F C 1.342 176.987 175.800 -0.257 0.000 1.076 100 F CA 1.012 58.916 58.000 -0.161 0.000 1.383 100 F CB -0.533 38.384 39.000 -0.138 0.000 1.055 100 F HN 0.504 nan 8.300 nan 0.000 0.526 101 L N -0.042 120.353 121.223 -1.380 0.000 2.275 101 L HA -0.148 4.192 4.340 0.000 0.000 0.215 101 L C 1.744 178.205 176.870 -0.682 0.000 1.119 101 L CA 0.863 54.947 54.840 -1.260 0.000 0.790 101 L CB -0.782 40.468 42.059 -1.349 0.000 0.919 101 L HN 0.310 nan 8.230 nan 0.000 0.443 102 H N -2.187 116.717 119.070 -0.277 0.000 2.549 102 H HA 0.144 4.700 4.556 0.000 0.000 0.279 102 H C 0.119 175.398 175.328 -0.083 0.000 1.018 102 H CA 0.080 56.039 56.048 -0.148 0.000 1.175 102 H CB 0.230 29.924 29.762 -0.114 0.000 1.485 102 H HN 0.142 nan 8.280 nan 0.000 0.543 103 D N 0.854 121.250 120.400 -0.006 0.000 2.892 103 D HA 0.150 4.790 4.640 0.000 0.000 0.291 103 D C 0.391 176.710 176.300 0.032 0.000 1.341 103 D CA -0.264 53.752 54.000 0.027 0.000 0.844 103 D CB 0.395 41.218 40.800 0.038 0.000 1.093 103 D HN 0.283 nan 8.370 nan 0.000 0.480 110 I N 1.583 122.034 120.570 -0.198 0.000 2.410 110 I HA 0.389 4.559 4.170 0.000 0.000 0.286 110 I C -0.052 176.066 176.117 0.002 0.000 1.009 110 I CA -0.441 60.790 61.300 -0.115 0.000 1.111 110 I CB 1.939 39.920 38.000 -0.031 0.000 1.262 110 I HN 0.683 nan 8.210 nan 0.000 0.443 111 K N 5.717 126.147 120.400 0.050 0.000 2.183 111 K HA 0.461 4.781 4.320 0.000 0.000 0.274 111 K C 0.426 177.027 176.600 0.002 0.000 1.009 111 K CA -0.433 55.894 56.287 0.066 0.000 0.888 111 K CB 1.623 34.166 32.500 0.072 0.000 1.078 111 K HN 0.555 nan 8.250 nan 0.000 0.459 112 V N 1.209 121.136 119.914 0.021 0.000 3.562 112 V HA 0.278 4.398 4.120 0.000 0.000 0.270 112 V C 0.646 176.752 176.094 0.020 0.000 1.418 112 V CA -0.299 62.007 62.300 0.011 0.000 1.033 112 V CB -0.099 31.744 31.823 0.034 0.000 0.820 112 V HN 0.745 nan 8.190 nan 0.000 0.441 113 R N 1.469 121.986 120.500 0.027 0.000 2.484 113 R HA 0.385 4.725 4.340 0.000 0.000 0.293 113 R C 1.325 177.644 176.300 0.031 0.000 1.023 113 R CA 1.288 57.408 56.100 0.033 0.000 1.037 113 R CB 0.140 30.459 30.300 0.031 0.000 0.951 113 R HN 0.938 nan 8.270 nan 0.000 0.418 114 G N 3.583 112.411 108.800 0.045 0.000 2.179 114 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 114 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 114 G C 0.398 175.347 174.900 0.081 0.000 0.977 114 G CA 0.313 45.449 45.100 0.060 0.000 0.641 114 G HN 0.592 nan 8.290 nan 0.000 0.533 115 L N -0.129 121.127 121.223 0.054 0.000 2.818 115 L HA 0.355 4.695 4.340 0.000 0.000 0.243 115 L C 0.790 177.690 176.870 0.051 0.000 1.185 115 L CA 0.033 54.896 54.840 0.038 0.000 0.988 115 L CB 0.225 42.281 42.059 -0.005 0.000 1.292 115 L HN 0.102 nan 8.230 nan 0.000 0.519 116 K N 1.022 121.476 120.400 0.090 0.000 2.259 116 K HA 0.712 5.032 4.320 0.000 0.000 0.252 116 K C -0.395 176.319 176.600 0.190 0.000 0.936 116 K CA -0.443 55.907 56.287 0.105 0.000 0.810 116 K CB 2.710 35.262 32.500 0.086 0.000 1.143 116 K HN -0.077 nan 8.250 nan 0.000 0.427 117 A N 2.229 125.143 122.820 0.157 0.000 3.030 117 A HA 0.574 4.894 4.320 0.000 0.000 0.335 117 A C 0.566 178.210 177.584 0.100 0.000 1.089 117 A CA 0.061 52.214 52.037 0.194 0.000 0.807 117 A CB -0.138 18.920 19.000 0.096 0.000 1.099 117 A HN 0.929 nan 8.150 nan 0.000 0.474 118 G N 1.933 110.798 108.800 0.107 0.000 2.596 118 G HA2 -0.355 3.605 3.960 0.000 0.000 0.304 118 G HA3 -0.355 3.605 3.960 0.000 0.000 0.304 118 G C 0.885 175.859 174.900 0.122 0.000 1.189 118 G CA 0.735 45.895 45.100 0.100 0.000 0.986 118 G HN 0.760 nan 8.290 nan 0.000 0.548 119 R N -0.148 120.343 120.500 -0.015 0.000 2.320 119 R HA 0.332 4.672 4.340 0.000 0.000 0.211 119 R C 0.269 176.494 176.300 -0.125 0.000 0.931 119 R CA 0.206 56.176 56.100 -0.217 0.000 1.071 119 R CB 0.322 30.357 30.300 -0.442 0.000 1.025 119 R HN 0.231 nan 8.270 nan 0.000 0.495 120 V N 1.135 121.038 119.914 -0.017 0.000 2.353 120 V HA 0.164 4.284 4.120 0.000 0.000 0.264 120 V C -0.092 176.047 176.094 0.076 0.000 1.049 120 V CA -0.158 62.161 62.300 0.032 0.000 0.896 120 V CB 1.140 32.970 31.823 0.012 0.000 1.025 120 V HN 0.012 nan 8.190 nan 0.000 0.475 121 S N 4.252 120.015 115.700 0.105 0.000 2.720 121 S HA 0.789 5.259 4.470 0.000 0.000 0.278 121 S C -0.452 174.171 174.600 0.039 0.000 1.172 121 S CA -0.073 58.184 58.200 0.095 0.000 1.019 121 S CB 1.261 64.577 63.200 0.193 0.000 1.049 121 S HN 1.013 nan 8.310 nan 0.000 0.483 122 A N 3.361 126.175 122.820 -0.010 0.000 2.325 122 A HA 0.951 5.271 4.320 0.000 0.000 0.333 122 A C -0.134 177.370 177.584 -0.132 0.000 1.155 122 A CA -0.509 51.484 52.037 -0.073 0.000 0.814 122 A CB 1.369 20.336 19.000 -0.056 0.000 1.206 122 A HN 1.366 nan 8.150 nan 0.000 0.482 123 A N 2.042 124.708 122.820 -0.256 0.000 2.319 123 A HA 0.605 4.925 4.320 0.000 0.000 0.310 123 A C -0.775 176.554 177.584 -0.424 0.000 1.152 123 A CA -0.438 51.401 52.037 -0.330 0.000 0.783 123 A CB 0.787 19.481 19.000 -0.510 0.000 1.184 123 A HN 1.116 nan 8.150 nan 0.000 0.474 124 L N 4.757 125.813 121.223 -0.279 0.000 2.264 124 L HA 0.541 4.881 4.340 0.000 0.000 0.289 124 L C -0.940 175.790 176.870 -0.233 0.000 1.044 124 L CA -0.137 54.557 54.840 -0.243 0.000 0.807 124 L CB 1.046 43.035 42.059 -0.117 0.000 1.192 124 L HN 0.413 nan 8.230 nan 0.000 0.425 125 V N 6.488 126.174 119.914 -0.380 0.000 2.406 125 V HA 0.401 4.521 4.120 0.000 0.000 0.272 125 V C -0.151 175.831 176.094 -0.186 0.000 1.043 125 V CA -0.340 61.731 62.300 -0.381 0.000 0.915 125 V CB 1.002 32.492 31.823 -0.556 0.000 0.988 125 V HN 1.015 nan 8.190 nan 0.000 0.466 126 H N 2.266 121.204 119.070 -0.220 0.000 2.966 126 H HA 0.539 5.095 4.556 0.000 0.000 0.330 126 H C -0.470 174.780 175.328 -0.131 0.000 1.292 126 H CA -1.016 54.935 56.048 -0.162 0.000 1.127 126 H CB 1.276 30.964 29.762 -0.123 0.000 1.863 126 H HN 0.248 nan 8.280 nan 0.000 0.543 127 N N -0.279 118.409 118.700 -0.019 0.000 2.275 127 N HA 0.242 4.982 4.740 0.000 0.000 0.236 127 N C 0.471 176.009 175.510 0.046 0.000 1.154 127 N CA 0.633 53.646 53.050 -0.062 0.000 0.866 127 N CB 1.627 40.087 38.487 -0.044 0.000 1.093 127 N HN 0.946 nan 8.380 nan 0.000 0.515 128 G N 0.658 109.634 108.800 0.293 0.000 2.901 128 G HA2 -0.191 3.769 3.960 0.000 0.000 0.194 128 G HA3 -0.191 3.769 3.960 0.000 0.000 0.194 128 G C -0.510 174.498 174.900 0.181 0.000 1.020 128 G CA -0.399 44.830 45.100 0.214 0.000 0.787 128 G HN 0.304 nan 8.290 nan 0.000 0.477 129 D N 1.528 122.006 120.400 0.129 0.000 2.461 129 D HA 0.563 5.203 4.640 0.000 0.000 0.240 129 D C -1.156 175.037 176.300 -0.178 0.000 1.094 129 D CA -2.124 51.855 54.000 -0.035 0.000 0.868 129 D CB 2.085 42.879 40.800 -0.011 0.000 1.062 129 D HN 0.082 nan 8.370 nan 0.000 0.530 130 P HA 0.002 nan 4.420 nan 0.000 0.230 130 P C 0.845 178.014 177.300 -0.218 0.000 1.158 130 P CA 0.389 63.173 63.100 -0.527 0.000 0.769 130 P CB 0.218 31.537 31.700 -0.635 0.000 0.807 131 A N -0.983 121.754 122.820 -0.139 0.000 2.206 131 A HA 0.093 4.413 4.320 0.000 0.000 0.211 131 A C 1.554 179.107 177.584 -0.051 0.000 1.158 131 A CA 0.697 52.688 52.037 -0.078 0.000 0.761 131 A CB -0.506 18.462 19.000 -0.054 0.000 0.801 131 A HN 0.179 nan 8.150 nan 0.000 0.473 132 S N -0.012 115.659 115.700 -0.048 0.000 2.128 132 S HA 0.508 4.978 4.470 0.000 0.000 0.157 132 S C 0.427 175.025 174.600 -0.003 0.000 1.650 132 S CA -0.019 58.172 58.200 -0.016 0.000 1.269 132 S CB -0.555 62.643 63.200 -0.002 0.000 1.227 132 S HN 0.629 nan 8.310 nan 0.000 0.405 133 G N 0.974 109.764 108.800 -0.016 0.000 2.557 133 G HA2 0.348 4.308 3.960 0.000 0.000 0.292 133 G HA3 0.348 4.308 3.960 0.000 0.000 0.292 133 G C 0.093 174.976 174.900 -0.028 0.000 1.237 133 G CA -0.355 44.736 45.100 -0.015 0.000 0.978 133 G HN 0.465 nan 8.290 nan 0.000 0.498 134 D N -1.683 118.658 120.400 -0.098 0.000 2.414 134 D HA 0.192 4.832 4.640 0.000 0.000 0.237 134 D C 1.044 177.302 176.300 -0.069 0.000 0.975 134 D CA 1.089 55.008 54.000 -0.135 0.000 0.917 134 D CB 0.538 41.031 40.800 -0.512 0.000 1.061 134 D HN 0.364 nan 8.370 nan 0.000 0.480 135 T N -0.801 113.659 114.554 -0.157 0.000 2.739 135 T HA 0.487 4.837 4.350 0.000 0.000 0.303 135 T C -1.956 172.594 174.700 -0.250 0.000 1.389 135 T CA -0.651 61.375 62.100 -0.123 0.000 1.001 135 T CB 1.077 69.921 68.868 -0.040 0.000 1.436 135 T HN -0.245 nan 8.240 nan 0.000 0.500 136 I N 2.603 123.053 120.570 -0.200 0.000 2.465 136 I HA 0.381 4.551 4.170 0.000 0.000 0.291 136 I C -0.859 175.113 176.117 -0.242 0.000 1.014 136 I CA -0.785 60.353 61.300 -0.270 0.000 1.093 136 I CB 1.523 39.447 38.000 -0.127 0.000 1.267 136 I HN 0.742 nan 8.210 nan 0.000 0.431 137 Y N 3.838 123.810 120.300 -0.546 0.000 2.341 137 Y HA 0.259 4.809 4.550 0.000 0.000 0.340 137 Y C 0.715 176.225 175.900 -0.649 0.000 0.997 137 Y CA -1.006 56.465 58.100 -1.049 0.000 1.149 137 Y CB 1.416 38.779 38.460 -1.828 0.000 1.171 137 Y HN 0.399 nan 8.280 nan 0.000 0.494 138 E N 3.800 123.893 120.200 -0.177 0.000 1.941 138 E HA 0.073 4.423 4.350 0.000 0.000 0.275 138 E C 0.524 177.219 176.600 0.160 0.000 1.113 138 E CA -0.018 56.402 56.400 0.033 0.000 0.878 138 E CB 1.380 31.152 29.700 0.120 0.000 1.070 138 E HN 0.608 nan 8.360 nan 0.000 0.399 139 V N 2.173 122.170 119.914 0.137 0.000 2.591 139 V HA -0.053 4.067 4.120 0.000 0.000 0.249 139 V C 1.360 177.759 176.094 0.508 0.000 1.053 139 V CA 1.863 64.377 62.300 0.357 0.000 1.068 139 V CB -0.113 31.828 31.823 0.197 0.000 0.689 139 V HN 0.584 nan 8.190 nan 0.000 0.462 140 G N -0.957 108.034 108.800 0.319 0.000 3.410 140 G HA2 0.551 4.511 3.960 0.000 0.000 0.189 140 G HA3 0.551 4.511 3.960 0.000 0.000 0.189 140 G C 0.235 175.119 174.900 -0.027 0.000 1.404 140 G CA 0.111 45.261 45.100 0.083 0.000 0.898 140 G HN 0.473 nan 8.290 nan 0.000 0.650 141 A N 0.036 122.825 122.820 -0.052 0.000 2.565 141 A HA 0.445 4.765 4.320 0.000 0.000 0.237 141 A C 0.866 178.438 177.584 -0.020 0.000 1.053 141 A CA 1.355 53.364 52.037 -0.047 0.000 0.755 141 A CB -0.204 18.874 19.000 0.130 0.000 0.980 141 A HN 1.105 nan 8.150 nan 0.000 0.506 142 M N 1.209 120.632 119.600 -0.295 0.000 2.075 142 M HA 0.266 4.746 4.480 0.000 0.000 0.358 142 M C 0.150 176.011 176.300 -0.731 0.000 0.855 142 M CA -0.159 54.960 55.300 -0.301 0.000 1.148 142 M CB 0.558 33.039 32.600 -0.198 0.000 2.163 142 M HN 0.701 nan 8.290 nan 0.000 0.734 143 R N 0.808 120.560 120.500 -1.248 0.000 2.564 143 R HA 0.669 5.009 4.340 0.000 0.000 0.284 143 R C -2.166 173.549 176.300 -0.974 0.000 1.031 143 R CA -0.438 55.043 56.100 -1.031 0.000 0.904 143 R CB 1.216 30.871 30.300 -1.074 0.000 1.199 143 R HN 0.045 nan 8.270 nan 0.000 0.443 144 F N 1.970 122.032 119.950 0.186 0.000 2.499 144 F HA 0.436 4.963 4.527 0.000 0.000 0.333 144 F C -2.245 173.713 175.800 0.263 0.000 1.138 144 F CA -2.873 55.249 58.000 0.203 0.000 0.945 144 F CB 2.044 41.070 39.000 0.044 0.000 1.181 144 F HN 0.332 nan 8.300 nan 0.000 0.435 145 P HA -0.016 nan 4.420 nan 0.000 0.266 145 P C 0.942 178.380 177.300 0.231 0.000 1.195 145 P CA 0.216 63.224 63.100 -0.153 0.000 0.768 145 P CB 0.857 31.975 31.700 -0.970 0.000 0.838 146 E N 2.771 123.079 120.200 0.180 0.000 2.118 146 E HA -0.186 4.164 4.350 0.000 0.000 0.195 146 E C 1.245 177.875 176.600 0.050 0.000 0.992 146 E CA 1.056 57.538 56.400 0.136 0.000 0.804 146 E CB -0.183 29.566 29.700 0.080 0.000 0.741 146 E HN 0.546 nan 8.360 nan 0.000 0.458 147 I N -2.219 118.277 120.570 -0.125 0.000 3.806 147 I HA 0.305 4.475 4.170 0.000 0.000 0.321 147 I C 0.490 176.676 176.117 0.115 0.000 1.315 147 I CA -0.248 61.001 61.300 -0.084 0.000 1.148 147 I CB 0.435 38.345 38.000 -0.150 0.000 1.028 147 I HN -0.124 nan 8.210 nan 0.000 0.415 148 A N 1.661 124.602 122.820 0.201 0.000 2.981 148 A HA 0.479 4.799 4.320 0.000 0.000 0.280 148 A C 1.663 179.553 177.584 0.510 0.000 1.743 148 A CA 0.318 52.646 52.037 0.484 0.000 1.430 148 A CB -0.860 18.335 19.000 0.325 0.000 1.085 148 A HN 0.605 nan 8.150 nan 0.000 0.597 149 G N 0.875 109.970 108.800 0.491 0.000 2.422 149 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 149 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 149 G C 1.274 176.369 174.900 0.326 0.000 1.146 149 G CA 1.139 46.476 45.100 0.395 0.000 0.769 149 G HN 0.612 nan 8.290 nan 0.000 0.547 150 L N 0.929 122.331 121.223 0.298 0.000 2.109 150 L HA 0.060 4.400 4.340 0.000 0.000 0.207 150 L C 2.960 179.969 176.870 0.231 0.000 1.086 150 L CA 2.136 57.091 54.840 0.191 0.000 0.760 150 L CB -0.872 41.327 42.059 0.233 0.000 0.910 150 L HN 0.168 nan 8.230 nan 0.000 0.437 151 T N -1.266 113.512 114.554 0.372 0.000 2.635 151 T HA -0.264 4.086 4.350 0.000 0.000 0.267 151 T C 1.453 176.179 174.700 0.044 0.000 1.040 151 T CA 2.309 64.613 62.100 0.340 0.000 1.156 151 T CB -0.595 68.345 68.868 0.120 0.000 0.863 151 T HN 0.495 nan 8.240 nan 0.000 0.430 152 W N 0.399 121.823 121.300 0.208 0.000 2.436 152 W HA 0.004 4.664 4.660 -0.000 0.000 0.284 152 W C 2.421 178.967 176.519 0.044 0.000 1.225 152 W CA 0.670 58.063 57.345 0.079 0.000 1.271 152 W CB -0.486 29.000 29.460 0.043 0.000 1.114 152 W HN 0.461 nan 8.180 nan 0.000 0.559 153 H N -1.171 117.959 119.070 0.100 0.000 2.319 153 H HA -0.254 4.302 4.556 0.000 0.000 0.299 153 H C 1.806 177.039 175.328 -0.159 0.000 1.092 153 H CA 2.359 58.358 56.048 -0.081 0.000 1.302 153 H CB -0.629 28.992 29.762 -0.236 0.000 1.373 153 H HN 0.090 nan 8.280 nan 0.000 0.497 154 Y N -0.084 120.146 120.300 -0.117 0.000 2.314 154 Y HA 0.063 4.613 4.550 0.000 0.000 0.293 154 Y C 2.755 178.614 175.900 -0.068 0.000 1.129 154 Y CA 0.835 58.772 58.100 -0.272 0.000 1.201 154 Y CB -0.899 37.261 38.460 -0.500 0.000 0.999 154 Y HN 0.411 nan 8.280 nan 0.000 0.541 155 A N -1.021 121.839 122.820 0.066 0.000 1.933 155 A HA -0.219 4.101 4.320 0.000 0.000 0.218 155 A C 2.546 180.136 177.584 0.010 0.000 1.175 155 A CA 1.939 53.865 52.037 -0.184 0.000 0.628 155 A CB -1.057 17.802 19.000 -0.235 0.000 0.814 155 A HN 0.381 nan 8.150 nan 0.000 0.444 156 S N -0.387 115.320 115.700 0.012 0.000 2.368 156 S HA -0.036 4.434 4.470 0.000 0.000 0.225 156 S C 2.192 176.740 174.600 -0.087 0.000 1.030 156 S CA 1.538 59.731 58.200 -0.012 0.000 0.999 156 S CB -0.490 62.693 63.200 -0.030 0.000 0.844 156 S HN 0.840 nan 8.310 nan 0.000 0.459 157 A N 1.118 123.827 122.820 -0.186 0.000 1.940 157 A HA 0.146 4.466 4.320 0.000 0.000 0.219 157 A C 2.399 179.866 177.584 -0.194 0.000 1.176 157 A CA 1.943 53.866 52.037 -0.190 0.000 0.631 157 A CB -1.211 17.588 19.000 -0.334 0.000 0.814 157 A HN 0.769 nan 8.150 nan 0.000 0.446 158 A N -2.313 120.333 122.820 -0.291 0.000 1.970 158 A HA 0.315 4.635 4.320 0.000 0.000 0.216 158 A C 1.497 178.699 177.584 -0.637 0.000 1.170 158 A CA 1.349 53.056 52.037 -0.549 0.000 0.645 158 A CB -0.252 18.248 19.000 -0.833 0.000 0.816 158 A HN 0.500 nan 8.150 nan 0.000 0.447 159 F N -1.762 118.166 119.950 -0.036 0.000 2.880 159 F HA 0.451 4.978 4.527 0.000 0.000 0.346 159 F C 1.134 176.917 175.800 -0.028 0.000 1.054 159 F CA 0.004 57.983 58.000 -0.036 0.000 1.151 159 F CB 0.095 39.058 39.000 -0.062 0.000 1.066 159 F HN 0.383 nan 8.300 nan 0.000 0.566 160 G N 1.038 109.910 108.800 0.120 0.000 2.716 160 G HA2 -0.213 3.747 3.960 0.000 0.000 0.686 160 G HA3 -0.213 3.747 3.960 0.000 0.000 0.686 160 G C -0.055 174.884 174.900 0.064 0.000 1.337 160 G CA -0.277 44.863 45.100 0.066 0.000 0.829 160 G HN 0.055 nan 8.290 nan 0.000 0.599 161 D N 0.579 120.995 120.400 0.027 0.000 2.218 161 D HA 0.055 4.695 4.640 0.000 0.000 0.204 161 D C 2.653 178.947 176.300 -0.011 0.000 0.976 161 D CA 1.913 55.918 54.000 0.007 0.000 0.853 161 D CB -0.249 40.547 40.800 -0.007 0.000 0.939 161 D HN 0.919 nan 8.370 nan 0.000 0.481 162 A N 0.504 123.323 122.820 -0.002 0.000 2.066 162 A HA 0.226 4.546 4.320 0.000 0.000 0.218 162 A C 1.387 178.958 177.584 -0.020 0.000 1.157 162 A CA 0.753 52.781 52.037 -0.014 0.000 0.670 162 A CB -0.390 18.606 19.000 -0.006 0.000 0.804 162 A HN 0.201 nan 8.150 nan 0.000 0.453 163 A N 1.311 124.128 122.820 -0.005 0.000 2.511 163 A HA 0.465 4.785 4.320 0.000 0.000 0.242 163 A C -2.182 175.367 177.584 -0.060 0.000 1.069 163 A CA -0.888 51.133 52.037 -0.027 0.000 0.763 163 A CB -0.211 18.779 19.000 -0.015 0.000 1.001 163 A HN 0.331 nan 8.150 nan 0.000 0.498 164 P HA 0.467 nan 4.420 nan 0.000 0.278 164 P C -0.569 176.696 177.300 -0.057 0.000 1.238 164 P CA 0.016 63.079 63.100 -0.061 0.000 0.794 164 P CB 0.936 32.610 31.700 -0.043 0.000 0.955 165 I N -1.574 118.971 120.570 -0.042 0.000 2.892 165 I HA 0.659 4.829 4.170 0.000 0.000 0.306 165 I C -0.842 175.339 176.117 0.108 0.000 1.078 165 I CA -1.400 59.920 61.300 0.033 0.000 1.032 165 I CB 2.876 40.860 38.000 -0.027 0.000 1.229 165 I HN 0.134 nan 8.210 nan 0.000 0.435 166 K N 2.672 123.195 120.400 0.204 0.000 2.385 166 K HA 0.598 4.918 4.320 0.000 0.000 0.248 166 K C -1.218 175.508 176.600 0.209 0.000 0.955 166 K CA -1.008 55.384 56.287 0.175 0.000 0.816 166 K CB 2.834 35.382 32.500 0.080 0.000 1.250 166 K HN 0.427 nan 8.250 nan 0.000 0.434 167 V N 2.706 122.637 119.914 0.028 0.000 2.529 167 V HA -0.000 4.120 4.120 0.000 0.000 0.292 167 V C 0.013 176.043 176.094 -0.106 0.000 1.028 167 V CA -0.017 62.150 62.300 -0.221 0.000 1.074 167 V CB -0.289 31.405 31.823 -0.215 0.000 0.958 167 V HN 0.550 nan 8.190 nan 0.000 0.481 168 F N 8.658 128.509 119.950 -0.165 0.000 2.529 168 F HA 0.296 4.823 4.527 0.000 0.000 0.365 168 F C -1.388 174.371 175.800 -0.068 0.000 1.102 168 F CA -1.907 56.049 58.000 -0.074 0.000 1.271 168 F CB 0.968 39.929 39.000 -0.065 0.000 1.120 168 F HN 0.376 nan 8.300 nan 0.000 0.579 169 P HA 0.050 nan 4.420 nan 0.000 0.225 169 P C -1.114 176.174 177.300 -0.020 0.000 1.813 169 P CA 0.028 62.932 63.100 -0.326 0.000 1.013 169 P CB -0.387 31.102 31.700 -0.352 0.000 1.961 170 N N 2.399 121.229 118.700 0.217 0.000 2.381 170 N HA 0.102 4.842 4.740 0.000 0.000 0.241 170 N C -2.161 173.446 175.510 0.161 0.000 1.279 170 N CA -1.324 51.949 53.050 0.372 0.000 0.896 170 N CB 0.054 38.703 38.487 0.271 0.000 1.118 170 N HN 0.234 nan 8.380 nan 0.000 0.438 171 P HA -0.020 nan 4.420 nan 0.000 0.262 171 P C 0.691 177.939 177.300 -0.087 0.000 1.182 171 P CA 0.688 63.749 63.100 -0.064 0.000 0.761 171 P CB 0.400 32.072 31.700 -0.047 0.000 0.795 172 G N 3.242 111.854 108.800 -0.314 0.000 2.284 172 G HA2 -0.287 3.673 3.960 0.000 0.000 0.247 172 G HA3 -0.287 3.673 3.960 0.000 0.000 0.247 172 G C 1.236 176.018 174.900 -0.197 0.000 1.012 172 G CA 0.108 45.076 45.100 -0.220 0.000 0.618 172 G HN 0.477 nan 8.290 nan 0.000 0.521 173 K N 0.362 120.668 120.400 -0.156 0.000 2.167 173 K HA 0.272 4.592 4.320 0.000 0.000 0.203 173 K C 1.529 177.991 176.600 -0.229 0.000 1.052 173 K CA 1.530 57.726 56.287 -0.153 0.000 0.956 173 K CB -0.131 32.312 32.500 -0.095 0.000 0.735 173 K HN 1.026 nan 8.250 nan 0.000 0.451 174 V N -1.244 118.506 119.914 -0.273 0.000 3.103 174 V HA 0.490 4.610 4.120 0.000 0.000 0.318 174 V C -2.853 172.952 176.094 -0.482 0.000 1.114 174 V CA -3.150 58.961 62.300 -0.316 0.000 1.020 174 V CB 1.561 33.262 31.823 -0.202 0.000 1.085 174 V HN -0.189 nan 8.190 nan 0.000 0.446 175 P HA 0.300 nan 4.420 nan 0.000 0.264 175 P C -0.504 176.535 177.300 -0.436 0.000 1.193 175 P CA 0.649 63.390 63.100 -0.599 0.000 0.763 175 P CB 0.301 31.804 31.700 -0.329 0.000 0.810 176 T N 2.283 116.498 114.554 -0.565 0.000 2.886 176 T HA 0.340 4.690 4.350 0.000 0.000 0.292 176 T C -0.778 173.802 174.700 -0.200 0.000 1.012 176 T CA -0.627 61.197 62.100 -0.460 0.000 0.982 176 T CB 1.482 69.859 68.868 -0.817 0.000 1.018 176 T HN 0.325 nan 8.240 nan 0.000 0.451 177 E N 2.128 122.356 120.200 0.047 0.000 2.166 177 E HA 0.561 4.911 4.350 0.000 0.000 0.275 177 E C -1.524 175.276 176.600 0.333 0.000 0.941 177 E CA -0.736 55.825 56.400 0.269 0.000 0.784 177 E CB 0.873 30.840 29.700 0.445 0.000 1.115 177 E HN 0.467 nan 8.360 nan 0.000 0.399 178 F N 4.980 125.097 119.950 0.278 0.000 2.507 178 F HA 0.533 5.060 4.527 0.000 0.000 0.325 178 F C -1.739 174.193 175.800 0.220 0.000 1.116 178 F CA -0.681 57.478 58.000 0.266 0.000 0.930 178 F CB 1.327 40.563 39.000 0.393 0.000 1.146 178 F HN 0.199 nan 8.300 nan 0.000 0.447 179 V N 7.378 126.913 119.914 -0.632 0.000 2.525 179 V HA 0.458 4.578 4.120 0.000 0.000 0.299 179 V C -1.506 174.129 176.094 -0.765 0.000 1.034 179 V CA -0.815 61.108 62.300 -0.629 0.000 0.863 179 V CB 1.626 33.160 31.823 -0.482 0.000 0.999 179 V HN 0.671 nan 8.190 nan 0.000 0.423 180 F N 4.266 123.744 119.950 -0.786 0.000 2.579 180 F HA 0.736 5.263 4.527 0.000 0.000 0.325 180 F C 0.703 176.321 175.800 -0.303 0.000 1.162 180 F CA 0.710 58.422 58.000 -0.479 0.000 0.946 180 F CB 1.489 40.288 39.000 -0.335 0.000 1.211 180 F HN 0.914 nan 8.300 nan 0.000 0.447 181 G N 5.901 114.069 108.800 -1.054 0.000 2.634 181 G HA2 -0.443 3.517 3.960 0.000 0.000 0.309 181 G HA3 -0.443 3.517 3.960 0.000 0.000 0.309 181 G C 0.781 175.450 174.900 -0.386 0.000 1.265 181 G CA 0.603 45.240 45.100 -0.772 0.000 0.998 181 G HN 1.202 nan 8.290 nan 0.000 0.551 182 N N 0.899 119.484 118.700 -0.192 0.000 2.461 182 N HA 0.056 4.796 4.740 0.000 0.000 0.188 182 N C 0.995 176.482 175.510 -0.040 0.000 1.134 182 N CA 0.877 53.866 53.050 -0.102 0.000 0.878 182 N CB 0.176 38.651 38.487 -0.020 0.000 0.972 182 N HN 0.636 nan 8.380 nan 0.000 0.456 183 R N 0.804 121.315 120.500 0.018 0.000 2.312 183 R HA 0.463 4.803 4.340 0.000 0.000 0.311 183 R C -1.271 175.046 176.300 0.027 0.000 1.004 183 R CA -0.523 55.650 56.100 0.122 0.000 0.902 183 R CB 1.065 31.558 30.300 0.322 0.000 1.073 183 R HN -0.120 nan 8.270 nan 0.000 0.457 184 V N 4.265 124.236 119.914 0.096 0.000 2.604 184 V HA 0.514 4.634 4.120 0.000 0.000 0.305 184 V C -0.641 175.648 176.094 0.325 0.000 1.043 184 V CA -0.803 61.581 62.300 0.139 0.000 0.888 184 V CB 2.158 34.018 31.823 0.060 0.000 0.995 184 V HN 0.815 nan 8.190 nan 0.000 0.429 185 D N 2.590 123.248 120.400 0.430 0.000 2.645 185 D HA 0.572 5.212 4.640 0.000 0.000 0.228 185 D C -0.867 175.661 176.300 0.380 0.000 1.148 185 D CA -0.703 53.552 54.000 0.425 0.000 0.860 185 D CB 3.080 44.148 40.800 0.447 0.000 1.548 185 D HN 0.394 nan 8.370 nan 0.000 0.460 186 R N 1.246 121.912 120.500 0.278 0.000 2.532 186 R HA 0.528 4.868 4.340 0.000 0.000 0.297 186 R C -1.186 175.158 176.300 0.074 0.000 0.984 186 R CA -0.861 55.358 56.100 0.198 0.000 0.884 186 R CB 1.866 32.299 30.300 0.221 0.000 1.182 186 R HN 0.535 nan 8.270 nan 0.000 0.442 187 Y N -1.669 118.421 120.300 -0.350 0.000 2.677 187 Y HA 0.685 5.235 4.550 0.000 0.000 0.334 187 Y C -1.802 173.699 175.900 -0.665 0.000 1.196 187 Y CA -1.241 56.457 58.100 -0.671 0.000 1.059 187 Y CB 1.222 38.626 38.460 -1.761 0.000 1.315 187 Y HN 0.160 nan 8.280 nan 0.000 0.455 188 V N 2.620 122.196 119.914 -0.564 0.000 2.638 188 V HA 0.760 4.880 4.120 0.000 0.000 0.306 188 V C 0.630 176.750 176.094 0.043 0.000 1.052 188 V CA -0.060 61.904 62.300 -0.561 0.000 0.885 188 V CB 0.745 31.951 31.823 -1.029 0.000 0.999 188 V HN 1.607 nan 8.190 nan 0.000 0.424 189 G N 4.912 113.797 108.800 0.140 0.000 2.575 189 G HA2 -0.218 3.742 3.960 0.000 0.000 0.267 189 G HA3 -0.218 3.742 3.960 0.000 0.000 0.267 189 G C 0.592 175.834 174.900 0.570 0.000 1.264 189 G CA 0.352 45.628 45.100 0.292 0.000 0.935 189 G HN 0.986 nan 8.290 nan 0.000 0.568 190 S N 0.129 116.081 115.700 0.420 0.000 2.666 190 S HA 0.232 4.702 4.470 0.000 0.000 0.239 190 S C 0.131 174.834 174.600 0.171 0.000 1.031 190 S CA 0.447 58.849 58.200 0.337 0.000 1.015 190 S CB 0.497 63.805 63.200 0.181 0.000 0.981 190 S HN 0.770 nan 8.310 nan 0.000 0.547 191 D N 3.295 123.842 120.400 0.245 0.000 2.343 191 D HA 0.154 4.794 4.640 0.000 0.000 0.255 191 D C -1.607 174.816 176.300 0.206 0.000 1.187 191 D CA -1.873 52.228 54.000 0.167 0.000 0.875 191 D CB 1.561 42.472 40.800 0.184 0.000 1.136 191 D HN 0.023 nan 8.370 nan 0.000 0.469 192 P HA -0.164 nan 4.420 nan 0.000 0.221 192 P C 0.836 178.260 177.300 0.206 0.000 1.145 192 P CA 0.788 63.907 63.100 0.030 0.000 0.795 192 P CB 0.388 32.052 31.700 -0.059 0.000 0.775 193 K N 0.013 120.525 120.400 0.187 0.000 2.360 193 K HA -0.083 4.237 4.320 0.000 0.000 0.201 193 K C 0.994 177.759 176.600 0.275 0.000 1.046 193 K CA 0.942 57.341 56.287 0.187 0.000 0.945 193 K CB -0.797 31.781 32.500 0.129 0.000 0.750 193 K HN 0.260 nan 8.250 nan 0.000 0.464 194 D N -1.399 119.264 120.400 0.439 0.000 2.402 194 D HA 0.021 4.661 4.640 0.000 0.000 0.216 194 D C -0.445 176.289 176.300 0.722 0.000 1.128 194 D CA -0.035 54.339 54.000 0.623 0.000 0.833 194 D CB 0.103 41.285 40.800 0.635 0.000 0.971 194 D HN 0.042 nan 8.370 nan 0.000 0.503 195 W N 1.321 122.829 121.300 0.347 0.000 2.469 195 W HA 0.279 4.939 4.660 -0.000 0.000 0.320 195 W C 1.696 178.374 176.519 0.265 0.000 1.086 195 W CA -0.910 56.633 57.345 0.330 0.000 1.211 195 W CB 1.072 30.660 29.460 0.212 0.000 1.298 195 W HN -0.136 nan 8.180 nan 0.000 0.525 196 E N 0.782 121.222 120.200 0.401 0.000 2.110 196 E HA -0.239 4.111 4.350 0.000 0.000 0.193 196 E C -0.074 176.691 176.600 0.275 0.000 0.988 196 E CA 1.153 57.722 56.400 0.282 0.000 0.804 196 E CB 0.138 29.984 29.700 0.244 0.000 0.745 196 E HN 0.249 nan 8.360 nan 0.000 0.458 197 D N -0.111 120.500 120.400 0.350 0.000 2.472 197 D HA 0.100 4.740 4.640 0.000 0.000 0.234 197 D C -1.844 174.631 176.300 0.291 0.000 1.088 197 D CA -2.506 51.665 54.000 0.285 0.000 0.882 197 D CB 1.478 42.440 40.800 0.269 0.000 1.037 197 D HN -0.010 nan 8.370 nan 0.000 0.520 198 P HA -0.043 nan 4.420 nan 0.000 0.225 198 P C 0.096 177.401 177.300 0.008 0.000 1.148 198 P CA 0.649 63.819 63.100 0.116 0.000 0.779 198 P CB 0.522 32.279 31.700 0.094 0.000 0.780 199 D N -0.406 120.019 120.400 0.041 0.000 2.325 199 D HA 0.016 4.656 4.640 0.000 0.000 0.225 199 D C 0.575 176.884 176.300 0.016 0.000 1.096 199 D CA 0.174 54.181 54.000 0.012 0.000 0.844 199 D CB 0.053 40.874 40.800 0.035 0.000 0.925 199 D HN 0.108 nan 8.370 nan 0.000 0.513 200 S N 2.367 118.082 115.700 0.024 0.000 2.552 200 S HA 0.013 4.483 4.470 0.000 0.000 0.289 200 S C -1.110 173.492 174.600 0.005 0.000 1.304 200 S CA -1.029 57.215 58.200 0.072 0.000 1.063 200 S CB 1.280 64.577 63.200 0.160 0.000 0.848 200 S HN -0.037 nan 8.310 nan 0.000 0.499 201 P HA -0.056 nan 4.420 nan 0.000 0.220 201 P C 1.334 178.686 177.300 0.087 0.000 1.148 201 P CA 1.191 64.383 63.100 0.154 0.000 0.803 201 P CB -0.338 31.532 31.700 0.283 0.000 0.782 202 T N 0.730 115.303 114.554 0.033 0.000 2.708 202 T HA -0.133 4.217 4.350 0.000 0.000 0.266 202 T C 1.770 176.179 174.700 -0.485 0.000 1.037 202 T CA 1.057 63.056 62.100 -0.169 0.000 1.146 202 T CB -0.894 67.909 68.868 -0.108 0.000 0.865 202 T HN 0.015 nan 8.240 nan 0.000 0.435 203 L N 1.243 122.061 121.223 -0.676 0.000 2.093 203 L HA 0.095 4.435 4.340 0.000 0.000 0.208 203 L C 2.295 178.869 176.870 -0.494 0.000 1.085 203 L CA 1.744 56.030 54.840 -0.923 0.000 0.755 203 L CB -0.570 40.619 42.059 -1.450 0.000 0.904 203 L HN 0.096 nan 8.230 nan 0.000 0.435 204 K N -1.352 118.855 120.400 -0.321 0.000 2.026 204 K HA -0.154 4.166 4.320 0.000 0.000 0.208 204 K C 2.092 178.567 176.600 -0.209 0.000 1.048 204 K CA 1.621 57.776 56.287 -0.219 0.000 0.929 204 K CB -0.267 32.152 32.500 -0.134 0.000 0.713 204 K HN 0.259 nan 8.250 nan 0.000 0.439 205 V N 1.448 121.260 119.914 -0.170 0.000 2.515 205 V HA -0.189 3.931 4.120 0.000 0.000 0.250 205 V C 2.107 178.102 176.094 -0.164 0.000 1.058 205 V CA 1.431 63.638 62.300 -0.155 0.000 1.064 205 V CB -0.231 31.600 31.823 0.013 0.000 0.675 205 V HN 0.398 nan 8.190 nan 0.000 0.461 206 L N 1.262 122.386 121.223 -0.165 0.000 2.012 206 L HA -0.015 4.325 4.340 0.000 0.000 0.210 206 L C 2.350 179.136 176.870 -0.141 0.000 1.073 206 L CA 2.702 57.479 54.840 -0.105 0.000 0.748 206 L CB -1.405 40.549 42.059 -0.176 0.000 0.891 206 L HN 0.300 nan 8.230 nan 0.000 0.431 207 G N -1.249 107.449 108.800 -0.170 0.000 2.422 207 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 207 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 207 G C 1.526 176.345 174.900 -0.134 0.000 1.146 207 G CA 0.979 45.998 45.100 -0.135 0.000 0.769 207 G HN 0.343 nan 8.290 nan 0.000 0.547 208 V N 0.371 120.182 119.914 -0.171 0.000 2.295 208 V HA -0.152 3.968 4.120 0.000 0.000 0.246 208 V C 2.996 178.977 176.094 -0.188 0.000 1.049 208 V CA 1.563 63.760 62.300 -0.172 0.000 1.024 208 V CB -0.236 31.468 31.823 -0.199 0.000 0.648 208 V HN 0.254 nan 8.190 nan 0.000 0.447 209 V N -0.000 119.737 119.914 -0.294 0.000 2.407 209 V HA -0.127 3.993 4.120 0.000 0.000 0.245 209 V C 2.641 178.614 176.094 -0.203 0.000 1.041 209 V CA 1.671 63.736 62.300 -0.393 0.000 1.040 209 V CB -0.934 30.279 31.823 -1.017 0.000 0.671 209 V HN 0.530 nan 8.190 nan 0.000 0.455 210 A N 0.738 123.482 122.820 -0.126 0.000 1.902 210 A HA -0.084 4.236 4.320 0.000 0.000 0.217 210 A C 2.409 180.007 177.584 0.023 0.000 1.181 210 A CA 1.922 53.983 52.037 0.040 0.000 0.623 210 A CB -1.219 17.826 19.000 0.075 0.000 0.818 210 A HN 0.516 nan 8.150 nan 0.000 0.443 211 G N -0.649 108.135 108.800 -0.027 0.000 2.422 211 G HA2 0.020 3.980 3.960 0.000 0.000 0.218 211 G HA3 0.020 3.980 3.960 0.000 0.000 0.218 211 G C 1.467 176.355 174.900 -0.020 0.000 1.146 211 G CA 1.235 46.320 45.100 -0.025 0.000 0.769 211 G HN 0.713 nan 8.290 nan 0.000 0.547 212 G N 0.229 109.007 108.800 -0.035 0.000 2.448 212 G HA2 0.026 3.986 3.960 0.000 0.000 0.218 212 G HA3 0.026 3.986 3.960 0.000 0.000 0.218 212 G C 1.716 176.642 174.900 0.043 0.000 1.135 212 G CA 0.482 45.564 45.100 -0.029 0.000 0.784 212 G HN 0.427 nan 8.290 nan 0.000 0.543 213 L N -0.280 120.997 121.223 0.090 0.000 2.200 213 L HA 0.108 4.448 4.340 0.000 0.000 0.200 213 L C 2.685 179.635 176.870 0.132 0.000 1.072 213 L CA 0.262 55.201 54.840 0.165 0.000 0.787 213 L CB 0.012 42.192 42.059 0.202 0.000 0.957 213 L HN 0.075 nan 8.230 nan 0.000 0.459 214 V N -0.994 118.982 119.914 0.103 0.000 2.672 214 V HA 0.311 4.431 4.120 0.000 0.000 0.242 214 V C 1.365 177.491 176.094 0.054 0.000 1.059 214 V CA 0.681 63.030 62.300 0.082 0.000 1.081 214 V CB -0.707 31.170 31.823 0.090 0.000 0.752 214 V HN 0.570 nan 8.190 nan 0.000 0.472 215 G N 1.006 109.830 108.800 0.039 0.000 2.601 215 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 215 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 215 G C -0.404 174.506 174.900 0.017 0.000 1.294 215 G CA 0.239 45.351 45.100 0.019 0.000 0.912 215 G HN 0.587 nan 8.290 nan 0.000 0.574 216 N N 1.680 120.386 118.700 0.009 0.000 2.362 216 N HA 0.549 5.289 4.740 0.000 0.000 0.298 216 N C -1.613 173.901 175.510 0.007 0.000 1.048 216 N CA -1.438 51.615 53.050 0.006 0.000 0.858 216 N CB 2.662 41.149 38.487 -0.001 0.000 1.218 216 N HN 0.360 nan 8.380 nan 0.000 0.488 217 P HA -0.104 nan 4.420 nan 0.000 0.225 217 P C -0.469 176.833 177.300 0.002 0.000 1.156 217 P CA 1.263 64.367 63.100 0.007 0.000 0.787 217 P CB 0.620 32.326 31.700 0.010 0.000 0.802 218 Q N -1.204 118.596 119.800 0.001 0.000 2.451 218 Q HA 0.528 4.868 4.340 0.000 0.000 0.281 218 Q C 0.242 176.240 176.000 -0.003 0.000 1.099 218 Q CA -0.543 55.259 55.803 -0.001 0.000 0.806 218 Q CB 2.484 31.222 28.738 -0.000 0.000 1.419 218 Q HN 0.088 nan 8.270 nan 0.000 0.427 219 G N 1.242 110.039 108.800 -0.004 0.000 2.593 219 G HA2 -0.289 3.671 3.960 0.000 0.000 0.237 219 G HA3 -0.289 3.671 3.960 0.000 0.000 0.237 219 G C -0.437 174.458 174.900 -0.007 0.000 1.312 219 G CA -0.151 44.946 45.100 -0.006 0.000 0.896 219 G HN 0.737 nan 8.290 nan 0.000 0.574 220 E N 0.494 120.689 120.200 -0.009 0.000 2.481 220 E HA 0.009 4.359 4.350 0.000 0.000 0.263 220 E C 0.175 176.768 176.600 -0.011 0.000 0.992 220 E CA -0.047 56.347 56.400 -0.011 0.000 0.938 220 E CB 0.065 29.756 29.700 -0.014 0.000 0.933 220 E HN 0.406 nan 8.360 nan 0.000 0.453 221 N N 3.487 122.181 118.700 -0.011 0.000 2.411 221 N HA 0.030 4.770 4.740 0.000 0.000 0.259 221 N C 0.429 175.929 175.510 -0.016 0.000 1.103 221 N CA 0.081 53.125 53.050 -0.010 0.000 0.954 221 N CB 1.609 40.092 38.487 -0.006 0.000 1.085 221 N HN 0.415 nan 8.380 nan 0.000 0.485 222 V N -0.643 119.260 119.914 -0.018 0.000 3.477 222 V HA 0.445 4.565 4.120 0.000 0.000 0.297 222 V C 0.783 176.854 176.094 -0.037 0.000 1.433 222 V CA -0.318 61.964 62.300 -0.030 0.000 1.052 222 V CB -0.086 31.719 31.823 -0.030 0.000 0.895 222 V HN 0.467 nan 8.190 nan 0.000 0.438 223 A N 0.716 123.522 122.820 -0.023 0.000 2.351 223 A HA 0.634 4.954 4.320 0.000 0.000 0.257 223 A C 0.987 178.519 177.584 -0.086 0.000 1.087 223 A CA 0.231 52.253 52.037 -0.025 0.000 0.798 223 A CB 0.970 19.989 19.000 0.031 0.000 1.033 223 A HN 0.491 nan 8.150 nan 0.000 0.488 224 M N 0.577 120.064 119.600 -0.188 0.000 2.388 224 M HA 0.122 4.602 4.480 0.000 0.000 0.265 224 M C -0.780 175.144 176.300 -0.627 0.000 1.088 224 M CA 1.365 56.384 55.300 -0.468 0.000 1.134 224 M CB 0.096 32.259 32.600 -0.727 0.000 1.384 224 M HN 0.660 nan 8.290 nan 0.000 0.447 225 Y N 1.176 121.470 120.300 -0.010 0.000 2.863 225 Y HA 0.470 5.020 4.550 0.000 0.000 0.348 225 Y C -2.386 173.642 175.900 0.212 0.000 1.028 225 Y CA -3.283 54.801 58.100 -0.027 0.000 1.213 225 Y CB -0.373 37.908 38.460 -0.298 0.000 1.120 225 Y HN 0.101 nan 8.280 nan 0.000 0.598 226 P HA 0.236 nan 4.420 nan 0.000 0.272 226 P C -0.274 177.265 177.300 0.399 0.000 1.230 226 P CA -0.043 63.209 63.100 0.254 0.000 0.788 226 P CB 1.704 33.493 31.700 0.148 0.000 0.949 227 I N 0.312 121.029 120.570 0.245 0.000 2.406 227 I HA 0.425 4.595 4.170 0.000 0.000 0.290 227 I C 0.472 176.611 176.117 0.036 0.000 0.999 227 I CA -0.867 60.572 61.300 0.232 0.000 1.124 227 I CB 1.440 39.515 38.000 0.125 0.000 1.289 227 I HN 0.494 nan 8.210 nan 0.000 0.441 228 A N 5.460 128.247 122.820 -0.055 0.000 2.783 228 A HA -0.263 4.057 4.320 0.000 0.000 0.292 228 A C 0.895 178.315 177.584 -0.274 0.000 1.495 228 A CA 1.083 52.777 52.037 -0.572 0.000 0.787 228 A CB -1.883 16.526 19.000 -0.984 0.000 1.017 228 A HN 0.997 nan 8.150 nan 0.000 0.516 229 N N -4.173 114.490 118.700 -0.061 0.000 2.828 229 N HA -0.235 4.505 4.740 0.000 0.000 0.248 229 N C 0.197 175.699 175.510 -0.013 0.000 1.044 229 N CA 1.738 54.782 53.050 -0.010 0.000 0.851 229 N CB -2.280 36.198 38.487 -0.016 0.000 1.136 229 N HN 2.077 nan 8.380 nan 0.000 0.572 230 V N -3.987 115.916 119.914 -0.017 0.000 3.141 230 V HA 0.650 4.770 4.120 0.000 0.000 0.312 230 V C -0.086 176.019 176.094 0.019 0.000 1.157 230 V CA -1.063 61.232 62.300 -0.010 0.000 1.041 230 V CB 2.116 33.918 31.823 -0.035 0.000 1.071 230 V HN -0.144 nan 8.190 nan 0.000 0.441 231 D N 2.202 122.611 120.400 0.015 0.000 2.443 231 D HA 0.264 4.904 4.640 0.000 0.000 0.239 231 D C -1.761 174.554 176.300 0.026 0.000 1.136 231 D CA -1.425 52.592 54.000 0.029 0.000 0.879 231 D CB 1.495 42.306 40.800 0.018 0.000 1.195 231 D HN 0.416 nan 8.370 nan 0.000 0.443 232 P HA -0.178 nan 4.420 nan 0.000 0.217 232 P C 1.000 178.306 177.300 0.010 0.000 1.148 232 P CA 1.667 64.777 63.100 0.017 0.000 0.828 232 P CB 0.180 31.896 31.700 0.027 0.000 0.783 233 A N -0.073 122.760 122.820 0.021 0.000 1.940 233 A HA -0.254 4.066 4.320 0.000 0.000 0.219 233 A C 2.081 179.672 177.584 0.011 0.000 1.176 233 A CA 1.820 53.869 52.037 0.020 0.000 0.631 233 A CB -1.024 17.989 19.000 0.022 0.000 0.814 233 A HN 0.189 nan 8.150 nan 0.000 0.446 234 K N -0.643 119.758 120.400 0.003 0.000 2.148 234 K HA -0.018 4.302 4.320 0.000 0.000 0.204 234 K C 1.670 178.261 176.600 -0.015 0.000 1.050 234 K CA 1.088 57.372 56.287 -0.006 0.000 0.942 234 K CB -0.186 32.308 32.500 -0.011 0.000 0.724 234 K HN 0.395 nan 8.250 nan 0.000 0.446 235 I N 1.080 121.637 120.570 -0.023 0.000 2.353 235 I HA -0.139 4.031 4.170 0.000 0.000 0.248 235 I C 2.453 178.545 176.117 -0.042 0.000 1.119 235 I CA 0.980 62.254 61.300 -0.042 0.000 1.417 235 I CB -1.367 36.600 38.000 -0.055 0.000 1.078 235 I HN 0.052 nan 8.210 nan 0.000 0.421 236 A N 1.143 123.957 122.820 -0.010 0.000 1.940 236 A HA -0.161 4.160 4.320 0.000 0.000 0.219 236 A C 2.546 180.162 177.584 0.053 0.000 1.176 236 A CA 2.050 54.115 52.037 0.047 0.000 0.631 236 A CB -0.711 18.334 19.000 0.075 0.000 0.814 236 A HN 0.412 nan 8.150 nan 0.000 0.446 237 A N -0.358 122.477 122.820 0.025 0.000 1.969 237 A HA -0.007 4.313 4.320 0.000 0.000 0.218 237 A C 2.079 179.664 177.584 0.002 0.000 1.169 237 A CA 1.398 53.449 52.037 0.022 0.000 0.635 237 A CB -0.513 18.495 19.000 0.012 0.000 0.810 237 A HN 0.520 nan 8.150 nan 0.000 0.445 238 I N -0.543 120.016 120.570 -0.020 0.000 2.233 238 I HA -0.197 3.973 4.170 0.000 0.000 0.243 238 I C 2.223 178.296 176.117 -0.074 0.000 1.093 238 I CA 0.898 62.176 61.300 -0.037 0.000 1.380 238 I CB -0.320 37.658 38.000 -0.036 0.000 1.067 238 I HN 0.248 nan 8.210 nan 0.000 0.413 239 L N 0.549 121.694 121.223 -0.129 0.000 2.187 239 L HA -0.205 4.135 4.340 0.000 0.000 0.213 239 L C 1.684 178.391 176.870 -0.272 0.000 1.100 239 L CA 1.215 55.882 54.840 -0.287 0.000 0.765 239 L CB -0.547 41.222 42.059 -0.482 0.000 0.904 239 L HN 0.310 nan 8.230 nan 0.000 0.437 240 N N -0.118 118.549 118.700 -0.053 0.000 2.268 240 N HA 0.143 4.883 4.740 0.000 0.000 0.204 240 N C 0.191 175.725 175.510 0.040 0.000 1.124 240 N CA 0.025 53.124 53.050 0.082 0.000 0.838 240 N CB 0.306 38.925 38.487 0.219 0.000 0.994 240 N HN 0.171 nan 8.380 nan 0.000 0.489 241 A N -0.368 122.451 122.820 -0.001 0.000 2.351 241 A HA 0.589 4.909 4.320 0.000 0.000 0.257 241 A C 1.435 179.021 177.584 0.004 0.000 1.087 241 A CA 0.150 52.189 52.037 0.003 0.000 0.798 241 A CB 0.347 19.343 19.000 -0.007 0.000 1.033 241 A HN 0.307 nan 8.150 nan 0.000 0.488 242 A N 1.215 124.040 122.820 0.008 0.000 1.858 242 A HA 0.140 4.460 4.320 0.000 0.000 0.216 242 A C 1.438 179.022 177.584 0.001 0.000 1.190 242 A CA 2.096 54.137 52.037 0.007 0.000 0.617 242 A CB -0.644 18.360 19.000 0.007 0.000 0.827 242 A HN 1.705 nan 8.150 nan 0.000 0.443 243 T N -0.859 113.695 114.554 -0.000 0.000 3.064 243 T HA 0.586 4.936 4.350 0.000 0.000 0.367 243 T C -2.800 171.898 174.700 -0.003 0.000 1.202 243 T CA -1.652 60.447 62.100 -0.002 0.000 1.133 243 T CB 1.512 70.380 68.868 -0.000 0.000 1.074 243 T HN 0.192 nan 8.240 nan 0.000 0.519 244 P HA 0.521 nan 4.420 nan 0.000 0.280 244 P C -2.882 174.417 177.300 -0.001 0.000 1.272 244 P CA -2.041 61.056 63.100 -0.006 0.000 0.819 244 P CB -0.261 31.430 31.700 -0.014 0.000 1.122 245 P HA 0.061 nan 4.420 nan 0.000 0.261 245 P C 0.808 178.114 177.300 0.011 0.000 1.203 245 P CA 0.231 63.337 63.100 0.010 0.000 0.767 245 P CB 0.034 31.744 31.700 0.015 0.000 0.785 246 A N 4.071 126.897 122.820 0.009 0.000 1.958 246 A HA -0.283 4.037 4.320 0.000 0.000 0.221 246 A C 2.041 179.636 177.584 0.018 0.000 1.178 246 A CA 2.111 54.154 52.037 0.010 0.000 0.642 246 A CB -1.078 17.927 19.000 0.007 0.000 0.816 246 A HN 0.618 nan 8.150 nan 0.000 0.453 247 D N -0.129 120.285 120.400 0.023 0.000 2.178 247 D HA -0.071 4.569 4.640 0.000 0.000 0.201 247 D C 2.024 178.354 176.300 0.049 0.000 0.980 247 D CA 1.290 55.309 54.000 0.032 0.000 0.842 247 D CB -0.112 40.708 40.800 0.033 0.000 0.948 247 D HN 0.374 nan 8.370 nan 0.000 0.472 248 A N 0.927 123.777 122.820 0.049 0.000 1.898 248 A HA -0.078 4.242 4.320 0.000 0.000 0.216 248 A C 2.577 180.201 177.584 0.067 0.000 1.181 248 A CA 0.787 52.865 52.037 0.069 0.000 0.620 248 A CB -0.685 18.343 19.000 0.045 0.000 0.819 248 A HN 0.324 nan 8.150 nan 0.000 0.442 249 L N -0.646 120.598 121.223 0.034 0.000 2.056 249 L HA -0.168 4.172 4.340 0.000 0.000 0.207 249 L C 2.740 179.633 176.870 0.039 0.000 1.078 249 L CA 1.592 56.444 54.840 0.021 0.000 0.749 249 L CB -0.536 41.521 42.059 -0.003 0.000 0.901 249 L HN 0.468 nan 8.230 nan 0.000 0.433 250 E N 0.649 120.872 120.200 0.038 0.000 2.110 250 E HA -0.207 4.143 4.350 0.000 0.000 0.193 250 E C 2.282 178.906 176.600 0.040 0.000 0.988 250 E CA 1.104 57.526 56.400 0.037 0.000 0.804 250 E CB 0.107 29.822 29.700 0.026 0.000 0.745 250 E HN 0.312 nan 8.360 nan 0.000 0.458 251 R N 0.259 120.792 120.500 0.055 0.000 2.092 251 R HA -0.024 4.316 4.340 0.000 0.000 0.231 251 R C 2.591 178.946 176.300 0.092 0.000 1.119 251 R CA 0.678 56.793 56.100 0.026 0.000 0.970 251 R CB -0.690 29.671 30.300 0.102 0.000 0.864 251 R HN 0.331 nan 8.270 nan 0.000 0.440 252 I N 0.925 121.614 120.570 0.199 0.000 2.163 252 I HA -0.323 3.847 4.170 0.000 0.000 0.243 252 I C 2.700 178.929 176.117 0.186 0.000 1.085 252 I CA 1.416 62.856 61.300 0.233 0.000 1.347 252 I CB -0.286 37.791 38.000 0.129 0.000 1.044 252 I HN 0.089 nan 8.210 nan 0.000 0.408 253 Q N 0.732 120.603 119.800 0.117 0.000 2.050 253 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 253 Q C 2.190 178.271 176.000 0.134 0.000 0.980 253 Q CA 2.868 58.747 55.803 0.127 0.000 0.840 253 Q CB -0.323 28.471 28.738 0.094 0.000 0.898 253 Q HN 0.615 nan 8.270 nan 0.000 0.424 254 T N -3.227 111.372 114.554 0.074 0.000 3.039 254 T HA 0.171 4.521 4.350 0.000 0.000 0.250 254 T C 1.660 176.359 174.700 -0.002 0.000 1.052 254 T CA 0.732 62.857 62.100 0.042 0.000 1.125 254 T CB 0.098 68.977 68.868 0.017 0.000 0.908 254 T HN 0.255 nan 8.240 nan 0.000 0.473 255 K N -1.043 119.314 120.400 -0.072 0.000 2.378 255 K HA 0.218 4.538 4.320 0.000 0.000 0.222 255 K C 1.746 178.286 176.600 -0.100 0.000 1.178 255 K CA -0.082 56.086 56.287 -0.199 0.000 0.827 255 K CB 0.083 32.295 32.500 -0.480 0.000 1.412 255 K HN 0.180 nan 8.250 nan 0.000 0.443 256 Y N 0.048 120.426 120.300 0.130 0.000 2.220 256 Y HA -0.126 4.424 4.550 0.000 0.000 0.291 256 Y C 2.198 178.249 175.900 0.253 0.000 1.129 256 Y CA 1.000 59.199 58.100 0.164 0.000 1.161 256 Y CB -0.531 38.020 38.460 0.152 0.000 0.997 256 Y HN 0.352 nan 8.280 nan 0.000 0.522 257 W N 2.060 123.463 121.300 0.171 0.000 2.381 257 W HA -0.102 4.558 4.660 0.000 0.000 0.301 257 W C -1.109 175.461 176.519 0.086 0.000 1.205 257 W CA 1.088 58.494 57.345 0.102 0.000 1.285 257 W CB -1.141 28.331 29.460 0.019 0.000 1.133 257 W HN 0.097 nan 8.180 nan 0.000 0.521 258 P HA -0.204 nan 4.420 nan 0.000 0.216 258 P C 1.067 178.304 177.300 -0.104 0.000 1.150 258 P CA 2.309 65.360 63.100 -0.082 0.000 0.843 258 P CB -0.295 31.412 31.700 0.012 0.000 0.787 259 E N -1.937 118.260 120.200 -0.005 0.000 2.106 259 E HA -0.164 4.186 4.350 0.000 0.000 0.192 259 E C 1.782 178.347 176.600 -0.060 0.000 0.984 259 E CA 0.636 57.027 56.400 -0.014 0.000 0.806 259 E CB -0.570 29.172 29.700 0.069 0.000 0.750 259 E HN 0.224 nan 8.360 nan 0.000 0.458 260 F N 1.403 121.261 119.950 -0.153 0.000 2.102 260 F HA -0.198 4.329 4.527 0.000 0.000 0.298 260 F C 1.988 177.573 175.800 -0.359 0.000 1.105 260 F CA 1.355 59.246 58.000 -0.182 0.000 1.239 260 F CB -0.034 38.861 39.000 -0.176 0.000 0.991 260 F HN -0.090 nan 8.300 nan 0.000 0.474 261 I N 0.178 120.508 120.570 -0.400 0.000 2.163 261 I HA -0.343 3.827 4.170 0.000 0.000 0.243 261 I C 2.697 178.607 176.117 -0.344 0.000 1.085 261 I CA 1.288 62.295 61.300 -0.488 0.000 1.347 261 I CB -0.972 36.593 38.000 -0.725 0.000 1.044 261 I HN 0.230 nan 8.210 nan 0.000 0.408 262 A N 0.104 122.761 122.820 -0.272 0.000 1.940 262 A HA -0.264 4.056 4.320 0.000 0.000 0.219 262 A C 2.260 179.675 177.584 -0.281 0.000 1.176 262 A CA 1.717 53.638 52.037 -0.194 0.000 0.631 262 A CB -0.573 18.345 19.000 -0.136 0.000 0.814 262 A HN 0.512 nan 8.150 nan 0.000 0.446 263 Q N -2.408 117.108 119.800 -0.474 0.000 2.137 263 Q HA -0.080 4.260 4.340 0.000 0.000 0.198 263 Q C 0.889 176.434 176.000 -0.758 0.000 0.960 263 Q CA 1.429 56.790 55.803 -0.736 0.000 0.847 263 Q CB -0.037 27.923 28.738 -1.297 0.000 0.915 263 Q HN 0.852 nan 8.270 nan 0.000 0.448 264 Y N -1.328 118.720 120.300 -0.420 0.000 2.527 264 Y HA 0.129 4.679 4.550 0.000 0.000 0.247 264 Y C 0.931 176.651 175.900 -0.301 0.000 1.138 264 Y CA -0.516 57.315 58.100 -0.448 0.000 1.228 264 Y CB 0.410 38.386 38.460 -0.806 0.000 1.252 264 Y HN 0.037 nan 8.280 nan 0.000 0.531 265 D N 0.160 120.479 120.400 -0.135 0.000 2.263 265 D HA -0.080 4.560 4.640 0.000 0.000 0.208 265 D C 2.243 178.536 176.300 -0.011 0.000 0.971 265 D CA 1.404 55.365 54.000 -0.065 0.000 0.867 265 D CB -0.084 40.675 40.800 -0.068 0.000 0.929 265 D HN 0.363 nan 8.370 nan 0.000 0.492 266 G N -0.584 108.202 108.800 -0.023 0.000 3.141 266 G HA2 0.178 4.138 3.960 0.000 0.000 0.218 266 G HA3 0.178 4.138 3.960 0.000 0.000 0.218 266 G C 0.003 174.896 174.900 -0.011 0.000 1.170 266 G CA -0.262 44.833 45.100 -0.008 0.000 0.769 266 G HN 0.196 nan 8.290 nan 0.000 0.546 267 L N 2.358 123.568 121.223 -0.021 0.000 2.305 267 L HA 0.524 4.864 4.340 0.000 0.000 0.284 267 L C 0.614 177.451 176.870 -0.054 0.000 1.013 267 L CA -0.566 54.252 54.840 -0.036 0.000 0.819 267 L CB 1.544 43.573 42.059 -0.050 0.000 1.227 267 L HN 0.074 nan 8.230 nan 0.000 0.417 268 T N 1.432 115.962 114.554 -0.041 0.000 2.868 268 T HA 0.180 4.530 4.350 0.000 0.000 0.292 268 T C 1.214 175.873 174.700 -0.068 0.000 1.028 268 T CA -0.382 61.699 62.100 -0.031 0.000 1.059 268 T CB 0.777 69.640 68.868 -0.007 0.000 0.991 268 T HN 0.633 nan 8.240 nan 0.000 0.531 269 L N 2.469 123.674 121.223 -0.029 0.000 2.013 269 L HA 0.100 4.440 4.340 0.000 0.000 0.212 269 L C 2.538 179.268 176.870 -0.234 0.000 1.073 269 L CA 2.637 57.456 54.840 -0.034 0.000 0.753 269 L CB -1.431 40.714 42.059 0.143 0.000 0.890 269 L HN 0.961 nan 8.230 nan 0.000 0.432 270 G N -1.278 107.304 108.800 -0.364 0.000 2.418 270 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 270 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 270 G C 1.593 176.312 174.900 -0.303 0.000 1.158 270 G CA 0.854 45.524 45.100 -0.717 0.000 0.771 270 G HN 0.684 nan 8.290 nan 0.000 0.545 271 A N 1.123 123.861 122.820 -0.137 0.000 1.902 271 A HA 0.295 4.615 4.320 0.000 0.000 0.217 271 A C 2.811 180.366 177.584 -0.048 0.000 1.181 271 A CA 2.172 54.172 52.037 -0.062 0.000 0.623 271 A CB -0.738 18.244 19.000 -0.029 0.000 0.818 271 A HN 0.747 nan 8.150 nan 0.000 0.443 272 A N -0.485 122.283 122.820 -0.087 0.000 1.877 272 A HA -0.010 4.310 4.320 0.000 0.000 0.216 272 A C 2.226 179.833 177.584 0.038 0.000 1.186 272 A CA 1.779 53.797 52.037 -0.031 0.000 0.620 272 A CB -1.012 17.848 19.000 -0.233 0.000 0.822 272 A HN 0.391 nan 8.150 nan 0.000 0.443 273 V N 0.105 119.984 119.914 -0.058 0.000 2.287 273 V HA -0.296 3.824 4.120 0.000 0.000 0.248 273 V C 2.672 178.756 176.094 -0.017 0.000 1.053 273 V CA 2.440 64.708 62.300 -0.054 0.000 1.027 273 V CB -0.820 30.955 31.823 -0.080 0.000 0.646 273 V HN 0.674 nan 8.190 nan 0.000 0.447 274 R N -0.114 120.377 120.500 -0.015 0.000 2.081 274 R HA -0.191 4.149 4.340 0.000 0.000 0.235 274 R C 2.314 178.635 176.300 0.034 0.000 1.131 274 R CA 1.894 58.008 56.100 0.024 0.000 0.960 274 R CB -0.203 30.113 30.300 0.026 0.000 0.856 274 R HN 0.643 nan 8.270 nan 0.000 0.436 275 E N 0.223 120.452 120.200 0.049 0.000 2.058 275 E HA -0.219 4.131 4.350 0.000 0.000 0.194 275 E C 2.078 178.694 176.600 0.028 0.000 0.997 275 E CA 1.606 58.042 56.400 0.059 0.000 0.801 275 E CB -0.156 29.616 29.700 0.121 0.000 0.746 275 E HN 0.419 nan 8.360 nan 0.000 0.450 276 I N 0.689 121.273 120.570 0.024 0.000 2.179 276 I HA -0.260 3.910 4.170 0.000 0.000 0.242 276 I C 2.418 178.516 176.117 -0.031 0.000 1.088 276 I CA 0.871 62.156 61.300 -0.026 0.000 1.357 276 I CB -0.226 37.755 38.000 -0.032 0.000 1.051 276 I HN -0.019 nan 8.210 nan 0.000 0.409 277 V N 0.461 120.364 119.914 -0.019 0.000 2.407 277 V HA -0.271 3.849 4.120 0.000 0.000 0.248 277 V C 2.488 178.616 176.094 0.056 0.000 1.055 277 V CA 2.382 64.679 62.300 -0.005 0.000 1.049 277 V CB -0.894 30.948 31.823 0.032 0.000 0.662 277 V HN 0.487 nan 8.190 nan 0.000 0.455 278 T N -0.038 114.550 114.554 0.057 0.000 2.708 278 T HA -0.174 4.176 4.350 0.000 0.000 0.266 278 T C 1.950 176.712 174.700 0.103 0.000 1.037 278 T CA 1.739 63.892 62.100 0.087 0.000 1.146 278 T CB -0.257 68.644 68.868 0.055 0.000 0.865 278 T HN 0.291 nan 8.240 nan 0.000 0.435 279 V N 1.642 121.583 119.914 0.045 0.000 2.343 279 V HA -0.148 3.972 4.120 0.000 0.000 0.247 279 V C 2.878 178.981 176.094 0.015 0.000 1.051 279 V CA 1.661 63.973 62.300 0.019 0.000 1.036 279 V CB -1.176 30.634 31.823 -0.023 0.000 0.654 279 V HN 0.533 nan 8.190 nan 0.000 0.451 280 A N -0.762 122.059 122.820 0.002 0.000 1.933 280 A HA -0.220 4.100 4.320 0.000 0.000 0.218 280 A C 2.103 179.681 177.584 -0.010 0.000 1.175 280 A CA 1.856 53.874 52.037 -0.033 0.000 0.628 280 A CB -0.679 18.274 19.000 -0.078 0.000 0.814 280 A HN 0.509 nan 8.150 nan 0.000 0.444 281 F N 0.813 120.722 119.950 -0.068 0.000 2.102 281 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 281 F C 2.242 178.034 175.800 -0.013 0.000 1.105 281 F CA 2.186 60.168 58.000 -0.029 0.000 1.239 281 F CB -0.195 38.821 39.000 0.026 0.000 0.991 281 F HN 0.341 nan 8.300 nan 0.000 0.474 282 E N -0.148 120.120 120.200 0.114 0.000 2.153 282 E HA -0.262 4.088 4.350 0.000 0.000 0.194 282 E C 1.993 178.558 176.600 -0.059 0.000 0.988 282 E CA 1.247 57.666 56.400 0.032 0.000 0.811 282 E CB -0.187 29.555 29.700 0.069 0.000 0.746 282 E HN 0.344 nan 8.360 nan 0.000 0.466 283 K N -0.520 119.839 120.400 -0.067 0.000 2.366 283 K HA -0.058 4.262 4.320 0.000 0.000 0.198 283 K C 1.023 177.550 176.600 -0.121 0.000 1.044 283 K CA 0.867 57.106 56.287 -0.080 0.000 0.973 283 K CB 0.241 32.701 32.500 -0.068 0.000 0.767 283 K HN 0.231 nan 8.250 nan 0.000 0.475 284 G N -0.189 108.496 108.800 -0.191 0.000 2.157 284 G HA2 -0.251 3.709 3.960 0.000 0.000 0.239 284 G HA3 -0.251 3.709 3.960 0.000 0.000 0.239 284 G C 0.717 175.508 174.900 -0.181 0.000 0.982 284 G CA 0.676 45.642 45.100 -0.224 0.000 0.650 284 G HN 0.367 nan 8.290 nan 0.000 0.527 285 T N 0.222 114.683 114.554 -0.155 0.000 2.821 285 T HA 0.162 4.512 4.350 0.000 0.000 0.267 285 T C 1.179 175.786 174.700 -0.155 0.000 1.046 285 T CA 1.080 63.099 62.100 -0.134 0.000 1.139 285 T CB 0.094 68.890 68.868 -0.120 0.000 0.871 285 T HN 0.376 nan 8.240 nan 0.000 0.454 286 L N 2.982 124.093 121.223 -0.185 0.000 2.296 286 L HA 0.413 4.753 4.340 0.000 0.000 0.286 286 L C -2.294 174.505 176.870 -0.119 0.000 1.023 286 L CA -2.428 52.299 54.840 -0.190 0.000 0.812 286 L CB 1.695 43.528 42.059 -0.377 0.000 1.223 286 L HN -0.033 nan 8.230 nan 0.000 0.421 287 P HA 0.338 nan 4.420 nan 0.000 0.278 287 P C -2.704 174.772 177.300 0.294 0.000 1.258 287 P CA -2.169 60.948 63.100 0.027 0.000 0.811 287 P CB 0.030 31.760 31.700 0.050 0.000 1.063 288 P HA -0.043 nan 4.420 nan 0.000 0.264 288 P C -0.266 177.141 177.300 0.180 0.000 1.183 288 P CA 0.334 63.648 63.100 0.356 0.000 0.763 288 P CB -0.003 31.817 31.700 0.200 0.000 0.807 289 V N 4.536 124.471 119.914 0.035 0.000 2.377 289 V HA -0.008 4.112 4.120 0.000 0.000 0.254 289 V C 1.101 177.105 176.094 -0.149 0.000 1.060 289 V CA 1.239 63.404 62.300 -0.224 0.000 1.068 289 V CB -0.987 30.471 31.823 -0.607 0.000 1.113 289 V HN 0.958 nan 8.190 nan 0.000 0.484 290 D N 3.606 123.955 120.400 -0.085 0.000 2.921 290 D HA -0.298 4.342 4.640 0.000 0.000 0.202 290 D C 1.134 177.419 176.300 -0.025 0.000 1.082 290 D CA 2.037 56.004 54.000 -0.056 0.000 1.014 290 D CB -1.360 39.383 40.800 -0.094 0.000 1.120 290 D HN 1.610 nan 8.370 nan 0.000 0.416 291 G N -1.282 107.516 108.800 -0.003 0.000 2.166 291 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 291 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 291 G C 1.015 175.914 174.900 -0.003 0.000 0.986 291 G CA 1.264 46.370 45.100 0.010 0.000 0.683 291 G HN 1.012 nan 8.290 nan 0.000 0.527 292 V N -0.328 119.574 119.914 -0.019 0.000 2.492 292 V HA 0.269 4.389 4.120 0.000 0.000 0.241 292 V C 1.608 177.693 176.094 -0.016 0.000 1.041 292 V CA 0.924 63.214 62.300 -0.018 0.000 1.057 292 V CB -0.183 31.623 31.823 -0.027 0.000 0.711 292 V HN 0.268 nan 8.190 nan 0.000 0.468 293 L N 2.424 123.626 121.223 -0.036 0.000 2.455 293 L HA 0.155 4.495 4.340 0.000 0.000 0.272 293 L C 0.395 177.262 176.870 -0.005 0.000 1.174 293 L CA -0.001 54.817 54.840 -0.038 0.000 0.869 293 L CB -0.253 41.751 42.059 -0.092 0.000 1.130 293 L HN 0.452 nan 8.230 nan 0.000 0.474 294 D N 2.386 122.784 120.400 -0.003 0.000 2.393 294 D HA 0.063 4.703 4.640 0.000 0.000 0.246 294 D C 1.171 177.464 176.300 -0.012 0.000 1.275 294 D CA -0.476 53.533 54.000 0.014 0.000 0.979 294 D CB 0.383 41.190 40.800 0.012 0.000 1.101 294 D HN 0.146 nan 8.370 nan 0.000 0.505 295 V N -0.012 119.905 119.914 0.005 0.000 2.255 295 V HA -0.273 3.847 4.120 0.000 0.000 0.247 295 V C 2.074 178.032 176.094 -0.228 0.000 1.051 295 V CA 2.565 64.811 62.300 -0.091 0.000 1.018 295 V CB -0.901 30.957 31.823 0.059 0.000 0.641 295 V HN 0.700 nan 8.190 nan 0.000 0.445 296 D N -0.872 119.466 120.400 -0.104 0.000 2.178 296 D HA -0.144 4.496 4.640 0.000 0.000 0.202 296 D C 2.216 178.472 176.300 -0.073 0.000 0.974 296 D CA 0.737 54.686 54.000 -0.086 0.000 0.841 296 D CB 0.024 40.808 40.800 -0.028 0.000 0.953 296 D HN 0.332 nan 8.370 nan 0.000 0.478 297 E N -0.107 120.059 120.200 -0.057 0.000 2.072 297 E HA -0.093 4.257 4.350 0.000 0.000 0.191 297 E C 2.220 178.791 176.600 -0.048 0.000 0.985 297 E CA 0.536 56.921 56.400 -0.024 0.000 0.801 297 E CB -0.247 29.444 29.700 -0.014 0.000 0.750 297 E HN 0.200 nan 8.360 nan 0.000 0.452 298 S N 0.908 116.517 115.700 -0.151 0.000 2.348 298 S HA -0.091 4.379 4.470 0.000 0.000 0.221 298 S C 2.155 176.674 174.600 -0.136 0.000 1.033 298 S CA 0.781 58.856 58.200 -0.210 0.000 1.010 298 S CB -0.215 62.830 63.200 -0.258 0.000 0.891 298 S HN 0.194 nan 8.310 nan 0.000 0.442 299 I N 1.308 121.720 120.570 -0.263 0.000 2.208 299 I HA -0.202 3.968 4.170 0.000 0.000 0.245 299 I C 2.431 178.599 176.117 0.085 0.000 1.097 299 I CA 1.015 62.272 61.300 -0.071 0.000 1.363 299 I CB -0.392 37.514 38.000 -0.158 0.000 1.051 299 I HN 0.214 nan 8.210 nan 0.000 0.413 300 S N -0.291 115.443 115.700 0.057 0.000 2.368 300 S HA -0.234 4.236 4.470 0.000 0.000 0.225 300 S C 1.933 176.629 174.600 0.161 0.000 1.030 300 S CA 1.224 59.488 58.200 0.106 0.000 0.999 300 S CB -0.496 62.755 63.200 0.086 0.000 0.844 300 S HN 0.431 nan 8.310 nan 0.000 0.459 301 Y N 1.020 121.328 120.300 0.014 0.000 2.081 301 Y HA -0.301 4.249 4.550 0.000 0.000 0.280 301 Y C 2.112 178.012 175.900 0.001 0.000 1.163 301 Y CA 1.774 59.885 58.100 0.018 0.000 1.135 301 Y CB -0.454 37.946 38.460 -0.100 0.000 0.970 301 Y HN 0.203 nan 8.280 nan 0.000 0.498 302 Y N -0.973 119.489 120.300 0.270 0.000 2.181 302 Y HA -0.248 4.302 4.550 0.000 0.000 0.288 302 Y C 2.566 178.519 175.900 0.088 0.000 1.146 302 Y CA 1.543 59.742 58.100 0.165 0.000 1.164 302 Y CB -1.080 37.472 38.460 0.154 0.000 0.982 302 Y HN -0.017 nan 8.280 nan 0.000 0.515 303 V N 0.032 120.104 119.914 0.263 0.000 2.332 303 V HA -0.257 3.863 4.120 0.000 0.000 0.248 303 V C 2.202 178.435 176.094 0.231 0.000 1.055 303 V CA 2.086 64.541 62.300 0.258 0.000 1.038 303 V CB -0.381 31.571 31.823 0.215 0.000 0.651 303 V HN 0.376 nan 8.190 nan 0.000 0.450 304 E N -0.470 119.754 120.200 0.040 0.000 2.158 304 E HA -0.109 4.241 4.350 0.000 0.000 0.191 304 E C 2.060 178.198 176.600 -0.769 0.000 0.982 304 E CA 0.708 57.012 56.400 -0.160 0.000 0.823 304 E CB -0.277 29.433 29.700 0.017 0.000 0.766 304 E HN 0.479 nan 8.360 nan 0.000 0.468 305 L N 0.540 121.189 121.223 -0.956 0.000 1.994 305 L HA -0.151 4.189 4.340 0.000 0.000 0.208 305 L C 2.281 178.987 176.870 -0.272 0.000 1.071 305 L CA 1.540 55.800 54.840 -0.968 0.000 0.745 305 L CB -0.746 41.075 42.059 -0.398 0.000 0.892 305 L HN 0.031 nan 8.230 nan 0.000 0.431 306 F N 0.561 120.435 119.950 -0.127 0.000 2.126 306 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 306 F C 2.172 177.990 175.800 0.031 0.000 1.096 306 F CA 1.673 59.658 58.000 -0.024 0.000 1.255 306 F CB -1.015 37.988 39.000 0.005 0.000 0.997 306 F HN 0.153 nan 8.300 nan 0.000 0.479 307 G N -0.123 108.613 108.800 -0.106 0.000 2.469 307 G HA2 -0.360 3.600 3.960 0.000 0.000 0.219 307 G HA3 -0.360 3.600 3.960 0.000 0.000 0.219 307 G C 1.713 176.461 174.900 -0.254 0.000 1.150 307 G CA 1.013 45.957 45.100 -0.260 0.000 0.763 307 G HN 0.301 nan 8.290 nan 0.000 0.561 308 R N -0.440 119.977 120.500 -0.138 0.000 2.193 308 R HA 0.162 4.502 4.340 0.000 0.000 0.213 308 R C 1.959 178.385 176.300 0.210 0.000 1.055 308 R CA 0.491 56.653 56.100 0.102 0.000 0.995 308 R CB -0.730 29.733 30.300 0.271 0.000 0.893 308 R HN 0.378 nan 8.270 nan 0.000 0.459 309 F N -0.466 119.373 119.950 -0.185 0.000 2.118 309 F HA 0.243 4.770 4.527 0.000 0.000 0.293 309 F C 1.304 176.860 175.800 -0.407 0.000 1.102 309 F CA 1.675 59.391 58.000 -0.473 0.000 1.247 309 F CB -0.261 38.253 39.000 -0.810 0.000 1.017 309 F HN 0.257 nan 8.300 nan 0.000 0.475 310 G N -0.302 108.105 108.800 -0.655 0.000 2.660 310 G HA2 -0.286 3.674 3.960 0.000 0.000 0.215 310 G HA3 -0.286 3.674 3.960 0.000 0.000 0.215 310 G C -0.169 174.434 174.900 -0.495 0.000 1.345 310 G CA -0.141 44.581 45.100 -0.630 0.000 0.877 310 G HN 0.271 nan 8.290 nan 0.000 0.549 311 F N 1.528 121.368 119.950 -0.184 0.000 2.661 311 F HA 0.494 5.021 4.527 0.000 0.000 0.306 311 F C 1.947 177.741 175.800 -0.010 0.000 1.094 311 F CA 1.087 59.084 58.000 -0.006 0.000 1.254 311 F CB 1.152 40.120 39.000 -0.053 0.000 1.040 311 F HN 1.658 nan 8.300 nan 0.000 0.562 312 G N -0.019 108.834 108.800 0.088 0.000 2.318 312 G HA2 -0.203 3.757 3.960 0.000 0.000 0.172 312 G HA3 -0.203 3.757 3.960 0.000 0.000 0.172 312 G C 0.679 175.648 174.900 0.116 0.000 1.002 312 G CA 0.240 45.372 45.100 0.053 0.000 0.697 312 G HN 0.278 nan 8.290 nan 0.000 0.483 313 T N -1.728 112.978 114.554 0.252 0.000 3.288 313 T HA 0.626 4.976 4.350 0.000 0.000 0.293 313 T C 1.175 176.164 174.700 0.481 0.000 1.008 313 T CA 1.068 63.429 62.100 0.434 0.000 0.929 313 T CB 0.987 70.236 68.868 0.635 0.000 1.152 313 T HN 2.244 nan 8.240 nan 0.000 0.517 314 G N 0.154 109.100 108.800 0.243 0.000 2.655 314 G HA2 0.319 4.279 3.960 0.000 0.000 0.680 314 G HA3 0.319 4.279 3.960 0.000 0.000 0.680 314 G C 0.057 175.110 174.900 0.255 0.000 1.302 314 G CA -0.506 44.696 45.100 0.169 0.000 0.872 314 G HN 1.005 nan 8.290 nan 0.000 0.540 315 G N -1.330 107.580 108.800 0.184 0.000 2.380 315 G HA2 0.485 4.445 3.960 0.000 0.000 0.242 315 G HA3 0.485 4.445 3.960 0.000 0.000 0.242 315 G C 0.378 175.583 174.900 0.508 0.000 1.298 315 G CA 0.020 45.229 45.100 0.181 0.000 0.878 315 G HN 0.661 nan 8.290 nan 0.000 0.542 316 F N 1.252 121.266 119.950 0.106 0.000 2.693 316 F HA 0.190 4.717 4.527 -0.000 0.000 0.303 316 F C 2.148 177.945 175.800 -0.004 0.000 1.097 316 F CA -0.702 57.427 58.000 0.216 0.000 1.330 316 F CB 0.408 39.678 39.000 0.450 0.000 1.067 316 F HN 0.519 nan 8.300 nan 0.000 0.565 317 K N 2.554 122.829 120.400 -0.207 0.000 2.052 317 K HA -0.179 4.141 4.320 0.000 0.000 0.215 317 K C -0.892 175.562 176.600 -0.245 0.000 1.053 317 K CA 2.114 57.991 56.287 -0.684 0.000 0.934 317 K CB -1.649 30.604 32.500 -0.412 0.000 0.717 317 K HN 0.095 nan 8.250 nan 0.000 0.450 318 P HA -0.111 nan 4.420 nan 0.000 0.225 318 P C 0.593 177.938 177.300 0.076 0.000 1.148 318 P CA 1.157 64.302 63.100 0.074 0.000 0.779 318 P CB -0.001 31.800 31.700 0.169 0.000 0.780 319 L N -2.680 118.571 121.223 0.047 0.000 2.628 319 L HA 0.124 4.464 4.340 0.000 0.000 0.229 319 L C 1.919 178.911 176.870 0.203 0.000 1.137 319 L CA -0.180 54.653 54.840 -0.012 0.000 0.909 319 L CB -0.767 41.066 42.059 -0.377 0.000 1.137 319 L HN -0.144 nan 8.230 nan 0.000 0.470 320 Y N 1.201 121.560 120.300 0.098 0.000 2.483 320 Y HA -0.111 4.439 4.550 0.000 0.000 0.291 320 Y C 2.183 178.126 175.900 0.071 0.000 1.143 320 Y CA 0.434 58.610 58.100 0.126 0.000 1.289 320 Y CB -0.481 38.063 38.460 0.139 0.000 0.983 320 Y HN 0.364 nan 8.280 nan 0.000 0.556 321 N N 0.871 119.669 118.700 0.163 0.000 2.467 321 N HA 0.008 4.748 4.740 0.000 0.000 0.184 321 N C 0.874 176.394 175.510 0.016 0.000 1.106 321 N CA 0.256 53.342 53.050 0.060 0.000 0.892 321 N CB -0.014 38.477 38.487 0.007 0.000 0.969 321 N HN 0.426 nan 8.380 nan 0.000 0.454 322 I N -0.592 119.998 120.570 0.033 0.000 2.948 322 I HA 0.029 4.199 4.170 0.000 0.000 0.290 322 I C 0.942 177.079 176.117 0.033 0.000 1.226 322 I CA -0.281 61.033 61.300 0.023 0.000 1.413 322 I CB 0.506 38.523 38.000 0.028 0.000 1.352 322 I HN -0.191 nan 8.210 nan 0.000 0.597 323 S N 3.607 119.328 115.700 0.034 0.000 2.573 323 S HA 0.037 4.507 4.470 0.000 0.000 0.277 323 S C 0.812 175.433 174.600 0.036 0.000 1.346 323 S CA -0.496 57.721 58.200 0.029 0.000 1.034 323 S CB 0.780 64.009 63.200 0.049 0.000 0.879 323 S HN 0.688 nan 8.310 nan 0.000 0.528 324 L N 6.187 127.406 121.223 -0.008 0.000 2.127 324 L HA -0.041 4.299 4.340 0.000 0.000 0.211 324 L C 2.139 179.088 176.870 0.132 0.000 1.089 324 L CA 1.756 56.588 54.840 -0.012 0.000 0.757 324 L CB -0.739 41.189 42.059 -0.219 0.000 0.899 324 L HN 0.674 nan 8.230 nan 0.000 0.434 325 V N -0.392 119.616 119.914 0.156 0.000 2.287 325 V HA -0.311 3.809 4.120 0.000 0.000 0.248 325 V C 2.645 178.888 176.094 0.248 0.000 1.053 325 V CA 1.966 64.406 62.300 0.233 0.000 1.027 325 V CB -0.707 31.140 31.823 0.040 0.000 0.646 325 V HN 0.498 nan 8.190 nan 0.000 0.447 326 E N -0.209 120.092 120.200 0.168 0.000 2.051 326 E HA -0.255 4.095 4.350 0.000 0.000 0.192 326 E C 2.032 178.709 176.600 0.128 0.000 0.991 326 E CA 1.742 58.233 56.400 0.152 0.000 0.799 326 E CB -0.408 29.362 29.700 0.115 0.000 0.748 326 E HN 0.452 nan 8.360 nan 0.000 0.449 327 M N -0.532 119.133 119.600 0.109 0.000 2.108 327 M HA -0.104 4.376 4.480 0.000 0.000 0.261 327 M C 2.052 178.388 176.300 0.060 0.000 1.066 327 M CA 1.521 56.861 55.300 0.068 0.000 1.107 327 M CB -0.305 32.337 32.600 0.070 0.000 1.356 327 M HN 0.278 nan 8.290 nan 0.000 0.406 328 M N -0.175 119.504 119.600 0.132 0.000 2.213 328 M HA -0.132 4.348 4.480 0.000 0.000 0.263 328 M C 1.925 178.283 176.300 0.096 0.000 1.062 328 M CA 1.779 57.157 55.300 0.130 0.000 1.105 328 M CB -0.345 32.365 32.600 0.183 0.000 1.385 328 M HN 0.246 nan 8.290 nan 0.000 0.417 329 R N -0.565 120.014 120.500 0.131 0.000 2.091 329 R HA -0.138 4.202 4.340 0.000 0.000 0.238 329 R C 2.119 178.458 176.300 0.066 0.000 1.136 329 R CA 1.784 57.905 56.100 0.034 0.000 0.959 329 R CB -0.760 29.572 30.300 0.053 0.000 0.856 329 R HN 0.399 nan 8.270 nan 0.000 0.437 330 L N 0.158 121.436 121.223 0.091 0.000 2.109 330 L HA -0.123 4.217 4.340 0.000 0.000 0.207 330 L C 2.350 179.344 176.870 0.207 0.000 1.086 330 L CA 1.001 55.937 54.840 0.160 0.000 0.760 330 L CB -0.347 41.687 42.059 -0.041 0.000 0.910 330 L HN 0.189 nan 8.230 nan 0.000 0.437 331 I N -0.129 120.496 120.570 0.092 0.000 2.226 331 I HA -0.302 3.868 4.170 0.000 0.000 0.245 331 I C 2.404 178.571 176.117 0.083 0.000 1.100 331 I CA 1.356 62.703 61.300 0.078 0.000 1.374 331 I CB -0.156 37.866 38.000 0.036 0.000 1.057 331 I HN 0.212 nan 8.210 nan 0.000 0.413 332 L N -1.005 120.258 121.223 0.066 0.000 2.141 332 L HA -0.211 4.129 4.340 0.000 0.000 0.209 332 L C 2.212 179.147 176.870 0.108 0.000 1.094 332 L CA 1.069 55.950 54.840 0.070 0.000 0.763 332 L CB -0.496 41.560 42.059 -0.005 0.000 0.908 332 L HN 0.438 nan 8.230 nan 0.000 0.437 333 W N 0.795 121.985 121.300 -0.183 0.000 3.047 333 W HA -0.020 4.640 4.660 0.000 0.000 0.250 333 W C 0.701 177.038 176.519 -0.303 0.000 1.314 333 W CA 0.335 57.401 57.345 -0.465 0.000 1.540 333 W CB -0.250 29.018 29.460 -0.320 0.000 1.127 333 W HN 0.242 nan 8.180 nan 0.000 0.679 334 D N -0.804 119.586 120.400 -0.016 0.000 2.697 334 D HA -0.341 4.299 4.640 0.000 0.000 0.238 334 D C 0.830 176.960 176.300 -0.283 0.000 1.152 334 D CA 1.286 55.214 54.000 -0.120 0.000 0.666 334 D CB -1.558 39.150 40.800 -0.154 0.000 1.037 334 D HN 0.531 nan 8.370 nan 0.000 0.423 335 Y N -0.791 119.355 120.300 -0.257 0.000 2.333 335 Y HA -0.111 4.439 4.550 0.000 0.000 0.290 335 Y C 2.171 177.890 175.900 -0.302 0.000 1.144 335 Y CA 1.374 59.187 58.100 -0.478 0.000 1.228 335 Y CB -0.776 37.541 38.460 -0.239 0.000 0.985 335 Y HN 0.185 nan 8.280 nan 0.000 0.542 336 S N -0.300 114.671 115.700 -1.215 0.000 2.527 336 S HA -0.059 4.411 4.470 0.000 0.000 0.222 336 S C 0.702 175.064 174.600 -0.396 0.000 0.985 336 S CA 0.179 57.824 58.200 -0.925 0.000 0.921 336 S CB -0.717 62.034 63.200 -0.748 0.000 0.772 336 S HN 0.491 nan 8.310 nan 0.000 0.529 337 N N 2.666 121.170 118.700 -0.328 0.000 2.508 337 N HA 0.206 4.946 4.740 0.000 0.000 0.253 337 N C -0.931 174.489 175.510 -0.149 0.000 1.145 337 N CA -0.018 52.913 53.050 -0.198 0.000 0.973 337 N CB 0.026 38.429 38.487 -0.139 0.000 1.305 337 N HN 0.503 nan 8.380 nan 0.000 0.506 338 E N 1.679 121.771 120.200 -0.180 0.000 2.277 338 E HA 0.401 4.751 4.350 0.000 0.000 0.266 338 E C -1.064 175.430 176.600 -0.177 0.000 0.901 338 E CA -0.708 55.668 56.400 -0.041 0.000 0.782 338 E CB 1.557 31.245 29.700 -0.020 0.000 1.228 338 E HN 0.398 nan 8.360 nan 0.000 0.424 339 Y N -0.478 120.001 120.300 0.299 0.000 2.605 339 Y HA 0.350 4.900 4.550 0.000 0.000 0.343 339 Y C 0.509 176.711 175.900 0.503 0.000 1.036 339 Y CA -0.923 57.392 58.100 0.359 0.000 1.065 339 Y CB 2.007 40.650 38.460 0.304 0.000 1.288 339 Y HN 0.505 nan 8.280 nan 0.000 0.481 340 T N -0.806 114.100 114.554 0.587 0.000 2.881 340 T HA 0.712 5.062 4.350 0.000 0.000 0.278 340 T C -0.502 174.482 174.700 0.473 0.000 0.982 340 T CA -0.809 61.609 62.100 0.529 0.000 0.989 340 T CB 0.745 69.820 68.868 0.345 0.000 1.058 340 T HN 0.470 nan 8.240 nan 0.000 0.529 341 L N 1.274 122.668 121.223 0.285 0.000 2.387 341 L HA 0.466 4.806 4.340 0.000 0.000 0.266 341 L C -1.806 174.973 176.870 -0.153 0.000 1.059 341 L CA -2.699 52.141 54.840 -0.001 0.000 0.801 341 L CB 1.489 43.432 42.059 -0.194 0.000 1.223 341 L HN 0.563 nan 8.230 nan 0.000 0.456 342 P HA 0.118 nan 4.420 nan 0.000 0.225 342 P C -0.969 176.051 177.300 -0.467 0.000 1.813 342 P CA 0.093 62.945 63.100 -0.413 0.000 1.013 342 P CB -0.041 31.372 31.700 -0.478 0.000 1.961 343 V N -1.729 118.038 119.914 -0.245 0.000 3.188 343 V HA 0.468 4.588 4.120 0.000 0.000 0.305 343 V C 0.991 177.059 176.094 -0.042 0.000 1.232 343 V CA -0.650 61.571 62.300 -0.133 0.000 1.043 343 V CB 1.296 33.076 31.823 -0.071 0.000 1.068 343 V HN -0.060 nan 8.190 nan 0.000 0.439 344 T N 1.098 115.645 114.554 -0.013 0.000 2.894 344 T HA 0.194 4.544 4.350 0.000 0.000 0.258 344 T C 0.239 174.944 174.700 0.008 0.000 1.043 344 T CA 1.525 63.623 62.100 -0.002 0.000 1.141 344 T CB -0.154 68.710 68.868 -0.007 0.000 0.873 344 T HN 0.843 nan 8.240 nan 0.000 0.449 345 E N 0.800 121.013 120.200 0.021 0.000 2.248 345 E HA 0.385 4.735 4.350 0.000 0.000 0.267 345 E C 0.045 176.688 176.600 0.072 0.000 0.877 345 E CA -0.568 55.850 56.400 0.030 0.000 0.759 345 E CB 1.213 30.916 29.700 0.006 0.000 1.182 345 E HN -0.118 nan 8.360 nan 0.000 0.418 346 N N 1.174 119.937 118.700 0.105 0.000 2.272 346 N HA -0.146 4.594 4.740 0.000 0.000 0.185 346 N C 1.625 177.217 175.510 0.136 0.000 1.014 346 N CA 0.551 53.698 53.050 0.161 0.000 0.870 346 N CB 0.025 38.653 38.487 0.236 0.000 0.975 346 N HN 0.278 nan 8.380 nan 0.000 0.433 347 V N 1.712 121.661 119.914 0.057 0.000 2.568 347 V HA -0.234 3.886 4.120 0.000 0.000 0.253 347 V C 1.726 177.770 176.094 -0.084 0.000 1.072 347 V CA 1.672 63.951 62.300 -0.035 0.000 1.084 347 V CB -0.302 31.499 31.823 -0.038 0.000 0.676 347 V HN 0.294 nan 8.190 nan 0.000 0.469 348 E N -0.637 119.584 120.200 0.035 0.000 2.160 348 E HA -0.248 4.102 4.350 0.000 0.000 0.195 348 E C 2.015 178.711 176.600 0.160 0.000 0.991 348 E CA 1.539 57.989 56.400 0.083 0.000 0.810 348 E CB -0.292 29.515 29.700 0.178 0.000 0.742 348 E HN 0.708 nan 8.360 nan 0.000 0.466 349 F N 1.921 121.921 119.950 0.084 0.000 2.069 349 F HA -0.225 4.302 4.527 0.000 0.000 0.298 349 F C 1.915 177.582 175.800 -0.221 0.000 1.113 349 F CA 1.185 59.171 58.000 -0.024 0.000 1.214 349 F CB -0.375 38.673 39.000 0.079 0.000 0.978 349 F HN -0.076 nan 8.300 nan 0.000 0.474 350 I N 0.542 120.957 120.570 -0.259 0.000 2.252 350 I HA -0.243 3.927 4.170 0.000 0.000 0.245 350 I C 2.601 178.398 176.117 -0.534 0.000 1.102 350 I CA 1.328 62.354 61.300 -0.457 0.000 1.385 350 I CB -1.565 36.193 38.000 -0.404 0.000 1.064 350 I HN 0.198 nan 8.210 nan 0.000 0.414 351 R N 1.296 121.346 120.500 -0.750 0.000 2.083 351 R HA -0.203 4.137 4.340 0.000 0.000 0.237 351 R C 2.041 178.271 176.300 -0.116 0.000 1.137 351 R CA 1.962 57.693 56.100 -0.616 0.000 0.951 351 R CB -0.111 29.912 30.300 -0.461 0.000 0.851 351 R HN 0.314 nan 8.270 nan 0.000 0.434 352 N N 0.615 119.234 118.700 -0.135 0.000 2.223 352 N HA -0.160 4.580 4.740 0.000 0.000 0.185 352 N C 1.515 176.956 175.510 -0.115 0.000 1.016 352 N CA 0.791 53.771 53.050 -0.117 0.000 0.863 352 N CB -0.253 38.080 38.487 -0.256 0.000 0.983 352 N HN 0.155 nan 8.380 nan 0.000 0.429 353 L N -0.231 120.897 121.223 -0.158 0.000 2.093 353 L HA -0.005 4.335 4.340 0.000 0.000 0.208 353 L C 1.914 178.790 176.870 0.011 0.000 1.085 353 L CA 1.221 55.955 54.840 -0.177 0.000 0.755 353 L CB -0.727 41.120 42.059 -0.353 0.000 0.904 353 L HN 0.097 nan 8.230 nan 0.000 0.435 354 F N -0.500 119.419 119.950 -0.052 0.000 2.102 354 F HA -0.224 4.303 4.527 0.000 0.000 0.298 354 F C 2.046 177.886 175.800 0.067 0.000 1.105 354 F CA 1.752 59.794 58.000 0.069 0.000 1.239 354 F CB -0.310 38.828 39.000 0.231 0.000 0.991 354 F HN 0.022 nan 8.300 nan 0.000 0.474 355 L N -0.009 121.216 121.223 0.003 0.000 2.046 355 L HA -0.202 4.138 4.340 0.000 0.000 0.208 355 L C 2.463 179.272 176.870 -0.102 0.000 1.077 355 L CA 1.581 56.356 54.840 -0.109 0.000 0.747 355 L CB -0.723 41.351 42.059 0.026 0.000 0.896 355 L HN 0.065 nan 8.230 nan 0.000 0.432 356 K N 0.557 120.941 120.400 -0.026 0.000 2.097 356 K HA -0.112 4.208 4.320 0.000 0.000 0.206 356 K C 2.055 178.703 176.600 0.080 0.000 1.049 356 K CA 1.388 57.703 56.287 0.046 0.000 0.933 356 K CB -0.348 32.205 32.500 0.089 0.000 0.717 356 K HN 0.233 nan 8.250 nan 0.000 0.442 357 A N 0.643 123.518 122.820 0.091 0.000 1.892 357 A HA -0.271 4.049 4.320 0.000 0.000 0.218 357 A C 2.090 179.595 177.584 -0.131 0.000 1.188 357 A CA 1.965 53.999 52.037 -0.005 0.000 0.631 357 A CB -0.616 18.380 19.000 -0.006 0.000 0.822 357 A HN 0.523 nan 8.150 nan 0.000 0.447 358 Q N -1.128 118.548 119.800 -0.206 0.000 2.119 358 Q HA -0.187 4.153 4.340 0.000 0.000 0.201 358 Q C 2.099 178.026 176.000 -0.121 0.000 0.972 358 Q CA 1.446 57.131 55.803 -0.196 0.000 0.847 358 Q CB -0.267 28.304 28.738 -0.279 0.000 0.903 358 Q HN 0.815 nan 8.270 nan 0.000 0.433 359 N N 0.402 119.046 118.700 -0.094 0.000 2.084 359 N HA -0.169 4.571 4.740 0.000 0.000 0.190 359 N C 1.803 177.277 175.510 -0.060 0.000 1.030 359 N CA 1.778 54.793 53.050 -0.059 0.000 0.849 359 N CB -0.019 38.449 38.487 -0.032 0.000 1.012 359 N HN 0.183 nan 8.380 nan 0.000 0.423 360 V N -1.936 117.933 119.914 -0.074 0.000 2.626 360 V HA 0.155 4.275 4.120 0.000 0.000 0.252 360 V C 2.129 178.155 176.094 -0.113 0.000 1.067 360 V CA 1.781 64.020 62.300 -0.101 0.000 1.081 360 V CB -1.453 30.267 31.823 -0.173 0.000 0.686 360 V HN 0.300 nan 8.190 nan 0.000 0.468 361 G N 0.034 108.765 108.800 -0.115 0.000 2.535 361 G HA2 0.100 4.060 3.960 0.000 0.000 0.218 361 G HA3 0.100 4.060 3.960 0.000 0.000 0.218 361 G C 1.191 176.051 174.900 -0.067 0.000 1.122 361 G CA 0.689 45.730 45.100 -0.097 0.000 0.769 361 G HN 1.827 nan 8.290 nan 0.000 0.549 362 A N -1.558 121.226 122.820 -0.059 0.000 2.745 362 A HA 0.169 4.489 4.320 0.000 0.000 0.296 362 A C 2.118 179.683 177.584 -0.031 0.000 1.500 362 A CA 1.698 53.710 52.037 -0.041 0.000 0.766 362 A CB -1.566 17.411 19.000 -0.038 0.000 1.030 362 A HN 2.342 nan 8.150 nan 0.000 0.489 363 G N -1.569 107.213 108.800 -0.031 0.000 2.253 363 G HA2 -0.353 3.607 3.960 0.000 0.000 0.251 363 G HA3 -0.353 3.607 3.960 0.000 0.000 0.251 363 G C 0.844 175.736 174.900 -0.013 0.000 0.998 363 G CA 1.083 46.172 45.100 -0.020 0.000 0.621 363 G HN 0.988 nan 8.290 nan 0.000 0.524 364 K N -0.656 119.734 120.400 -0.016 0.000 2.400 364 K HA 0.306 4.626 4.320 0.000 0.000 0.194 364 K C 0.644 177.244 176.600 -0.000 0.000 1.033 364 K CA 0.217 56.502 56.287 -0.004 0.000 1.021 364 K CB 0.369 32.864 32.500 -0.008 0.000 0.808 364 K HN 0.392 nan 8.250 nan 0.000 0.505 365 L N 1.257 122.468 121.223 -0.019 0.000 2.296 365 L HA 0.275 4.615 4.340 0.000 0.000 0.286 365 L C -0.965 175.897 176.870 -0.014 0.000 1.023 365 L CA -0.541 54.288 54.840 -0.018 0.000 0.812 365 L CB 1.635 43.665 42.059 -0.049 0.000 1.223 365 L HN -0.309 nan 8.230 nan 0.000 0.421 366 V N 5.739 125.658 119.914 0.008 0.000 2.495 366 V HA 0.609 4.729 4.120 0.000 0.000 0.298 366 V C -0.565 175.544 176.094 0.024 0.000 1.031 366 V CA -0.634 61.673 62.300 0.012 0.000 0.871 366 V CB 1.957 33.795 31.823 0.025 0.000 0.988 366 V HN 0.536 nan 8.190 nan 0.000 0.432 367 V N 4.880 124.807 119.914 0.022 0.000 2.588 367 V HA 0.541 4.661 4.120 0.000 0.000 0.304 367 V C -0.507 175.626 176.094 0.065 0.000 1.042 367 V CA -0.615 61.717 62.300 0.052 0.000 0.877 367 V CB 1.804 33.663 31.823 0.060 0.000 0.996 367 V HN 0.926 nan 8.190 nan 0.000 0.425 368 Q N 2.408 122.242 119.800 0.057 0.000 2.375 368 Q HA 0.682 5.022 4.340 0.000 0.000 0.271 368 Q C -1.374 174.629 176.000 0.006 0.000 1.074 368 Q CA -0.769 55.053 55.803 0.031 0.000 0.808 368 Q CB 3.116 31.858 28.738 0.006 0.000 1.327 368 Q HN 0.580 nan 8.270 nan 0.000 0.441 369 V N 2.625 122.536 119.914 -0.006 0.000 2.439 369 V HA 0.435 4.555 4.120 0.000 0.000 0.282 369 V C -0.231 175.820 176.094 -0.073 0.000 1.039 369 V CA -0.512 61.761 62.300 -0.044 0.000 0.913 369 V CB 1.276 33.067 31.823 -0.054 0.000 0.983 369 V HN 0.624 nan 8.190 nan 0.000 0.460 370 R N 3.160 123.576 120.500 -0.139 0.000 2.437 370 R HA 0.386 4.726 4.340 0.000 0.000 0.310 370 R C -0.343 175.925 176.300 -0.054 0.000 0.955 370 R CA -0.533 55.451 56.100 -0.192 0.000 0.851 370 R CB 1.849 31.846 30.300 -0.506 0.000 1.161 370 R HN 0.705 nan 8.270 nan 0.000 0.446 371 Q N 3.243 122.990 119.800 -0.089 0.000 2.844 371 Q HA 0.085 4.425 4.340 0.000 0.000 0.235 371 Q C -1.014 174.946 176.000 -0.065 0.000 1.336 371 Q CA 0.297 56.001 55.803 -0.164 0.000 1.026 371 Q CB 0.349 28.763 28.738 -0.539 0.000 1.513 371 Q HN 0.512 nan 8.270 nan 0.000 0.577 372 E N 1.570 121.803 120.200 0.054 0.000 2.356 372 E HA 0.320 4.670 4.350 0.000 0.000 0.275 372 E C -1.350 175.382 176.600 0.220 0.000 0.904 372 E CA -0.908 55.577 56.400 0.143 0.000 0.757 372 E CB 2.105 31.914 29.700 0.182 0.000 1.232 372 E HN 0.255 nan 8.360 nan 0.000 0.442 373 R N 2.268 122.891 120.500 0.204 0.000 2.202 373 R HA 0.291 4.631 4.340 0.000 0.000 0.334 373 R C -0.849 175.551 176.300 0.166 0.000 1.036 373 R CA -0.405 55.804 56.100 0.181 0.000 0.878 373 R CB 0.713 31.115 30.300 0.170 0.000 1.067 373 R HN 0.269 nan 8.270 nan 0.000 0.457 374 V N 4.978 124.940 119.914 0.081 0.000 2.521 374 V HA 0.083 4.203 4.120 0.000 0.000 0.286 374 V C 1.041 177.154 176.094 0.031 0.000 1.034 374 V CA 0.654 62.938 62.300 -0.026 0.000 1.045 374 V CB 1.077 32.788 31.823 -0.185 0.000 0.974 374 V HN 1.040 nan 8.190 nan 0.000 0.480 375 A N 4.654 127.497 122.820 0.038 0.000 2.035 375 A HA 0.311 4.631 4.320 0.000 0.000 0.208 375 A C 0.700 178.302 177.584 0.029 0.000 1.206 375 A CA 0.335 52.429 52.037 0.095 0.000 0.773 375 A CB 0.032 19.185 19.000 0.256 0.000 0.878 375 A HN 0.793 nan 8.150 nan 0.000 0.469 376 N N -2.258 116.426 118.700 -0.026 0.000 2.405 376 N HA 0.622 5.362 4.740 0.000 0.000 0.274 376 N C -1.068 174.362 175.510 -0.134 0.000 1.170 376 N CA 0.163 53.172 53.050 -0.069 0.000 0.848 376 N CB 2.033 40.501 38.487 -0.031 0.000 1.629 376 N HN 0.332 nan 8.380 nan 0.000 0.481 377 A N 0.268 122.956 122.820 -0.220 0.000 2.401 377 A HA 0.920 5.240 4.320 0.000 0.000 0.310 377 A C -0.561 176.759 177.584 -0.441 0.000 1.075 377 A CA -0.639 51.209 52.037 -0.316 0.000 0.746 377 A CB 0.396 19.120 19.000 -0.459 0.000 1.277 377 A HN 1.094 nan 8.150 nan 0.000 0.425 378 C N -0.422 118.629 119.300 -0.415 0.000 3.306 378 C HA 0.785 5.245 4.460 0.000 0.000 0.335 378 C C -0.953 173.949 174.990 -0.147 0.000 1.382 378 C CA -0.972 57.836 59.018 -0.350 0.000 1.254 378 C CB 0.135 27.682 27.740 -0.322 0.000 1.555 378 C HN 1.000 nan 8.230 nan 0.000 0.463 379 H N 1.115 120.231 119.070 0.076 0.000 2.458 379 H HA 0.783 5.339 4.556 0.000 0.000 0.330 379 H C 0.422 175.824 175.328 0.123 0.000 1.111 379 H CA 1.046 57.197 56.048 0.173 0.000 1.245 379 H CB 1.568 31.454 29.762 0.208 0.000 1.456 379 H HN 1.088 nan 8.280 nan 0.000 0.488 380 S N 1.947 117.781 115.700 0.222 0.000 2.596 380 S HA 0.738 5.208 4.470 0.000 0.000 0.270 380 S C 0.175 174.897 174.600 0.202 0.000 1.155 380 S CA -0.277 58.050 58.200 0.211 0.000 0.827 380 S CB 1.599 64.912 63.200 0.188 0.000 1.130 380 S HN 1.287 nan 8.310 nan 0.000 0.467 381 G N 0.860 109.778 108.800 0.196 0.000 2.698 381 G HA2 -0.046 3.914 3.960 0.000 0.000 0.233 381 G HA3 -0.046 3.914 3.960 0.000 0.000 0.233 381 G C 0.378 175.357 174.900 0.131 0.000 1.352 381 G CA 0.726 45.919 45.100 0.155 0.000 0.879 381 G HN 2.270 nan 8.290 nan 0.000 0.567 382 T N -2.345 112.266 114.554 0.095 0.000 3.091 382 T HA 0.740 5.090 4.350 0.000 0.000 0.277 382 T C 1.004 175.731 174.700 0.045 0.000 0.996 382 T CA 1.312 63.453 62.100 0.069 0.000 0.897 382 T CB 0.358 69.262 68.868 0.060 0.000 1.109 382 T HN 2.118 nan 8.240 nan 0.000 0.534 383 A N 1.112 123.958 122.820 0.043 0.000 2.249 383 A HA 0.725 5.045 4.320 0.000 0.000 0.281 383 A C 1.849 179.437 177.584 0.006 0.000 1.127 383 A CA 0.119 52.169 52.037 0.021 0.000 0.833 383 A CB 0.331 19.342 19.000 0.018 0.000 1.140 383 A HN 0.229 nan 8.150 nan 0.000 0.502 384 S N -0.624 115.068 115.700 -0.014 0.000 2.356 384 S HA -0.002 4.468 4.470 0.000 0.000 0.223 384 S C 1.078 175.648 174.600 -0.051 0.000 1.032 384 S CA 1.295 59.475 58.200 -0.033 0.000 1.005 384 S CB -0.559 62.614 63.200 -0.045 0.000 0.867 384 S HN 1.443 nan 8.310 nan 0.000 0.449 385 A N 0.955 123.743 122.820 -0.054 0.000 2.302 385 A HA 0.562 4.882 4.320 0.000 0.000 0.295 385 A C 0.769 178.341 177.584 -0.019 0.000 1.235 385 A CA -0.521 51.476 52.037 -0.067 0.000 0.876 385 A CB 0.160 19.107 19.000 -0.089 0.000 1.133 385 A HN 0.600 nan 8.150 nan 0.000 0.533 386 R N 2.172 122.674 120.500 0.004 0.000 2.476 386 R HA 0.209 4.549 4.340 0.000 0.000 0.276 386 R C 0.434 176.787 176.300 0.089 0.000 0.941 386 R CA 0.423 56.570 56.100 0.080 0.000 1.088 386 R CB 0.824 31.205 30.300 0.134 0.000 1.216 386 R HN 0.675 nan 8.270 nan 0.000 0.533 387 A N 2.365 125.182 122.820 -0.004 0.000 2.415 387 A HA 0.186 4.506 4.320 0.000 0.000 0.309 387 A C -0.173 177.458 177.584 0.078 0.000 1.356 387 A CA -0.235 51.740 52.037 -0.105 0.000 0.998 387 A CB 0.236 18.932 19.000 -0.505 0.000 1.145 387 A HN 0.014 nan 8.150 nan 0.000 0.545 388 Q N 1.741 121.617 119.800 0.128 0.000 2.243 388 Q HA 0.557 4.897 4.340 0.000 0.000 0.252 388 Q C -0.937 175.114 176.000 0.086 0.000 0.909 388 Q CA -0.050 55.784 55.803 0.052 0.000 0.922 388 Q CB 2.031 30.616 28.738 -0.255 0.000 1.215 388 Q HN 0.697 nan 8.270 nan 0.000 0.427 389 L N 2.989 124.288 121.223 0.126 0.000 2.381 389 L HA 0.438 4.778 4.340 0.000 0.000 0.274 389 L C -0.827 176.069 176.870 0.044 0.000 0.988 389 L CA -0.967 53.898 54.840 0.041 0.000 0.824 389 L CB 1.715 43.755 42.059 -0.031 0.000 1.263 389 L HN 0.330 nan 8.230 nan 0.000 0.410 390 L N 3.711 124.927 121.223 -0.011 0.000 2.287 390 L HA 0.652 4.992 4.340 0.000 0.000 0.287 390 L C -0.029 176.765 176.870 -0.126 0.000 1.022 390 L CA 0.318 55.137 54.840 -0.035 0.000 0.814 390 L CB 1.473 43.553 42.059 0.036 0.000 1.217 390 L HN 0.734 nan 8.230 nan 0.000 0.420 391 S N 2.890 118.498 115.700 -0.154 0.000 2.627 391 S HA 0.742 5.212 4.470 0.000 0.000 0.283 391 S C -1.298 173.133 174.600 -0.282 0.000 1.127 391 S CA -0.718 57.420 58.200 -0.103 0.000 0.863 391 S CB 1.385 64.714 63.200 0.215 0.000 1.121 391 S HN 0.347 nan 8.310 nan 0.000 0.479 392 Y N 0.998 121.417 120.300 0.199 0.000 2.409 392 Y HA 0.474 5.024 4.550 0.000 0.000 0.343 392 Y C 0.159 176.170 175.900 0.185 0.000 0.973 392 Y CA -0.840 57.367 58.100 0.179 0.000 1.064 392 Y CB 1.346 39.865 38.460 0.097 0.000 1.207 392 Y HN 0.913 nan 8.280 nan 0.000 0.452 393 D N -0.824 119.792 120.400 0.360 0.000 2.447 393 D HA 0.105 4.745 4.640 0.000 0.000 0.265 393 D C 1.146 177.491 176.300 0.076 0.000 1.250 393 D CA -0.179 53.939 54.000 0.197 0.000 1.046 393 D CB 0.413 41.354 40.800 0.235 0.000 1.095 393 D HN 0.381 nan 8.370 nan 0.000 0.555 394 S N -1.931 113.714 115.700 -0.091 0.000 2.507 394 S HA -0.155 4.315 4.470 0.000 0.000 0.235 394 S C 0.712 174.995 174.600 -0.529 0.000 0.988 394 S CA 0.419 58.442 58.200 -0.295 0.000 0.944 394 S CB -0.597 62.370 63.200 -0.389 0.000 0.762 394 S HN 0.547 nan 8.310 nan 0.000 0.526 395 H N 1.312 120.422 119.070 0.067 0.000 2.486 395 H HA 0.366 4.922 4.556 0.000 0.000 0.284 395 H C 0.151 175.516 175.328 0.062 0.000 1.103 395 H CA -0.204 55.876 56.048 0.052 0.000 1.089 395 H CB 0.012 29.802 29.762 0.045 0.000 1.603 395 H HN 0.289 nan 8.280 nan 0.000 0.557 396 N N -0.051 118.725 118.700 0.127 0.000 2.878 396 N HA -0.143 4.597 4.740 0.000 0.000 0.247 396 N C 0.279 175.915 175.510 0.211 0.000 1.021 396 N CA 0.822 53.943 53.050 0.118 0.000 0.873 396 N CB -1.295 37.190 38.487 -0.003 0.000 1.128 396 N HN 0.477 nan 8.380 nan 0.000 0.571 397 A N 0.289 123.238 122.820 0.215 0.000 2.440 397 A HA 0.505 4.825 4.320 0.000 0.000 0.251 397 A C 0.727 178.344 177.584 0.054 0.000 1.089 397 A CA -0.103 52.006 52.037 0.120 0.000 0.779 397 A CB 0.924 19.963 19.000 0.066 0.000 1.022 397 A HN 0.148 nan 8.150 nan 0.000 0.492 398 V N 3.156 123.035 119.914 -0.059 0.000 2.732 398 V HA 0.445 4.565 4.120 0.000 0.000 0.297 398 V C -0.400 175.345 176.094 -0.582 0.000 1.060 398 V CA 0.128 62.292 62.300 -0.226 0.000 1.038 398 V CB 0.692 32.474 31.823 -0.068 0.000 1.003 398 V HN 1.008 nan 8.190 nan 0.000 0.481 399 H N 2.755 121.769 119.070 -0.093 0.000 2.894 399 H HA 0.619 5.175 4.556 0.000 0.000 0.367 399 H C -0.776 174.513 175.328 -0.066 0.000 1.144 399 H CA -0.330 55.700 56.048 -0.030 0.000 1.180 399 H CB 1.944 31.724 29.762 0.030 0.000 1.758 399 H HN 0.649 nan 8.280 nan 0.000 0.541 400 S N 1.683 117.401 115.700 0.029 0.000 2.538 400 S HA 0.586 5.056 4.470 0.000 0.000 0.288 400 S C -1.205 173.403 174.600 0.012 0.000 1.108 400 S CA -0.559 57.595 58.200 -0.076 0.000 0.971 400 S CB 1.372 64.258 63.200 -0.522 0.000 1.041 400 S HN 0.671 nan 8.310 nan 0.000 0.483 401 E N 1.736 121.966 120.200 0.050 0.000 2.366 401 E HA 0.721 5.071 4.350 0.000 0.000 0.278 401 E C -1.347 175.155 176.600 -0.165 0.000 0.923 401 E CA -0.547 55.812 56.400 -0.069 0.000 0.761 401 E CB 1.965 31.649 29.700 -0.026 0.000 1.231 401 E HN 0.763 nan 8.360 nan 0.000 0.443 402 A N 2.829 125.447 122.820 -0.336 0.000 2.324 402 A HA 0.771 5.091 4.320 0.000 0.000 0.330 402 A C -1.523 175.712 177.584 -0.581 0.000 1.165 402 A CA -0.364 51.512 52.037 -0.269 0.000 0.813 402 A CB 0.440 19.382 19.000 -0.096 0.000 1.197 402 A HN 0.532 nan 8.150 nan 0.000 0.484 403 Y N -0.161 120.118 120.300 -0.036 0.000 2.576 403 Y HA 0.332 4.882 4.550 0.000 0.000 0.346 403 Y C 0.691 176.494 175.900 -0.163 0.000 1.018 403 Y CA -0.858 57.203 58.100 -0.065 0.000 1.050 403 Y CB 1.632 40.067 38.460 -0.041 0.000 1.280 403 Y HN 0.700 nan 8.280 nan 0.000 0.474 404 D N 0.732 121.109 120.400 -0.039 0.000 2.123 404 D HA -0.029 4.611 4.640 0.000 0.000 0.200 404 D C -0.443 175.396 176.300 -0.769 0.000 0.976 404 D CA 1.877 55.630 54.000 -0.412 0.000 0.831 404 D CB 0.156 40.725 40.800 -0.385 0.000 0.974 404 D HN 0.217 nan 8.370 nan 0.000 0.469 405 F N -0.872 119.137 119.950 0.098 0.000 2.613 405 F HA 0.443 4.970 4.527 0.000 0.000 0.310 405 F C -0.388 175.363 175.800 -0.082 0.000 1.085 405 F CA -1.117 56.899 58.000 0.027 0.000 0.945 405 F CB 2.030 41.104 39.000 0.124 0.000 1.298 405 F HN -0.448 nan 8.300 nan 0.000 0.455 406 V N 3.217 123.116 119.914 -0.025 0.000 2.760 406 V HA 0.487 4.607 4.120 0.000 0.000 0.309 406 V C -0.568 175.609 176.094 0.139 0.000 1.077 406 V CA -0.745 61.498 62.300 -0.094 0.000 0.910 406 V CB 2.344 33.964 31.823 -0.338 0.000 1.008 406 V HN 0.580 nan 8.190 nan 0.000 0.424 407 I N 5.259 125.918 120.570 0.148 0.000 2.330 407 I HA 0.390 4.560 4.170 0.000 0.000 0.289 407 I C -0.531 175.689 176.117 0.171 0.000 1.001 407 I CA -0.374 61.054 61.300 0.215 0.000 1.193 407 I CB 1.363 39.466 38.000 0.170 0.000 1.345 407 I HN 0.374 nan 8.210 nan 0.000 0.461 408 L N 6.886 128.232 121.223 0.204 0.000 2.302 408 L HA 0.409 4.749 4.340 0.000 0.000 0.285 408 L C 0.760 177.739 176.870 0.181 0.000 1.090 408 L CA -0.170 54.760 54.840 0.150 0.000 0.866 408 L CB 0.761 42.888 42.059 0.114 0.000 1.244 408 L HN 0.698 nan 8.230 nan 0.000 0.435 409 A N 4.396 127.310 122.820 0.158 0.000 3.293 409 A HA 0.538 4.858 4.320 0.000 0.000 0.282 409 A C -0.050 177.618 177.584 0.140 0.000 1.394 409 A CA -0.364 51.772 52.037 0.165 0.000 1.118 409 A CB -0.092 18.986 19.000 0.129 0.000 1.133 409 A HN 0.434 nan 8.150 nan 0.000 0.627 410 V N -2.754 117.267 119.914 0.177 0.000 2.876 410 V HA 0.788 4.908 4.120 0.000 0.000 0.312 410 V C -3.022 173.161 176.094 0.147 0.000 1.085 410 V CA -2.467 59.909 62.300 0.127 0.000 0.945 410 V CB 2.222 34.106 31.823 0.103 0.000 1.017 410 V HN 0.253 nan 8.190 nan 0.000 0.428 411 P HA 0.260 nan 4.420 nan 0.000 0.275 411 P C 0.354 177.680 177.300 0.043 0.000 1.266 411 P CA 0.331 63.396 63.100 -0.059 0.000 0.793 411 P CB 0.469 32.092 31.700 -0.127 0.000 1.074 412 H N -1.474 117.612 119.070 0.027 0.000 2.357 412 H HA -0.083 4.473 4.556 0.000 0.000 0.301 412 H C 1.081 176.470 175.328 0.101 0.000 1.082 412 H CA 1.636 57.778 56.048 0.156 0.000 1.342 412 H CB -0.913 28.938 29.762 0.148 0.000 1.389 412 H HN 0.260 nan 8.280 nan 0.000 0.511 413 D N 0.710 120.986 120.400 -0.207 0.000 2.219 413 D HA -0.122 4.518 4.640 0.000 0.000 0.205 413 D C 1.909 178.207 176.300 -0.002 0.000 0.970 413 D CA 1.016 54.978 54.000 -0.064 0.000 0.851 413 D CB -0.090 40.633 40.800 -0.128 0.000 0.943 413 D HN 0.647 nan 8.370 nan 0.000 0.488 414 Q N -0.169 119.630 119.800 -0.001 0.000 2.245 414 Q HA -0.036 4.304 4.340 0.000 0.000 0.201 414 Q C 2.036 178.069 176.000 0.054 0.000 0.955 414 Q CA 0.242 56.066 55.803 0.035 0.000 0.870 414 Q CB 0.171 28.934 28.738 0.042 0.000 0.945 414 Q HN 0.143 nan 8.270 nan 0.000 0.461 415 L N 0.197 121.472 121.223 0.087 0.000 2.131 415 L HA -0.069 4.271 4.340 0.000 0.000 0.206 415 L C 2.050 178.942 176.870 0.036 0.000 1.087 415 L CA 1.695 56.580 54.840 0.075 0.000 0.767 415 L CB -0.649 41.492 42.059 0.136 0.000 0.917 415 L HN 0.050 nan 8.230 nan 0.000 0.441 416 T N 1.485 116.076 114.554 0.062 0.000 2.592 416 T HA -0.147 4.203 4.350 0.000 0.000 0.267 416 T C -0.652 174.057 174.700 0.015 0.000 1.060 416 T CA 2.333 64.460 62.100 0.046 0.000 1.167 416 T CB -1.297 67.615 68.868 0.074 0.000 0.863 416 T HN 0.370 nan 8.240 nan 0.000 0.431 417 P HA 0.070 nan 4.420 nan 0.000 0.222 417 P C 1.391 178.681 177.300 -0.017 0.000 1.147 417 P CA 0.947 64.052 63.100 0.007 0.000 0.790 417 P CB -0.295 31.419 31.700 0.024 0.000 0.780 418 I N -0.441 120.110 120.570 -0.031 0.000 2.500 418 I HA -0.105 4.065 4.170 0.000 0.000 0.252 418 I C 2.084 178.120 176.117 -0.135 0.000 1.142 418 I CA 1.128 62.385 61.300 -0.073 0.000 1.451 418 I CB -0.174 37.784 38.000 -0.070 0.000 1.093 418 I HN -0.116 nan 8.210 nan 0.000 0.430 419 V N -3.613 116.223 119.914 -0.129 0.000 3.556 419 V HA 0.222 4.342 4.120 0.000 0.000 0.287 419 V C 1.529 177.534 176.094 -0.149 0.000 1.422 419 V CA 0.604 62.796 62.300 -0.180 0.000 1.038 419 V CB 0.183 31.892 31.823 -0.190 0.000 0.850 419 V HN 0.335 nan 8.190 nan 0.000 0.437 420 S N -0.042 115.597 115.700 -0.103 0.000 2.559 420 S HA 0.310 4.780 4.470 0.000 0.000 0.226 420 S C 1.471 175.986 174.600 -0.141 0.000 1.000 420 S CA -0.252 57.901 58.200 -0.079 0.000 0.948 420 S CB -0.105 63.107 63.200 0.021 0.000 0.870 420 S HN 0.585 nan 8.310 nan 0.000 0.497 421 R N 0.540 120.952 120.500 -0.147 0.000 2.472 421 R HA 0.390 4.730 4.340 0.000 0.000 0.279 421 R C 0.481 176.684 176.300 -0.162 0.000 0.953 421 R CA 0.097 56.123 56.100 -0.122 0.000 1.088 421 R CB 0.306 30.571 30.300 -0.057 0.000 1.197 421 R HN 0.255 nan 8.270 nan 0.000 0.536 422 S N 0.323 115.875 115.700 -0.247 0.000 2.568 422 S HA 0.230 4.700 4.470 0.000 0.000 0.232 422 S C 0.657 175.052 174.600 -0.343 0.000 0.975 422 S CA 0.357 58.412 58.200 -0.241 0.000 0.949 422 S CB 0.888 63.952 63.200 -0.226 0.000 0.829 422 S HN 0.668 nan 8.310 nan 0.000 0.479 423 G N 1.451 109.930 108.800 -0.535 0.000 2.645 423 G HA2 -0.260 3.700 3.960 0.000 0.000 0.246 423 G HA3 -0.260 3.700 3.960 0.000 0.000 0.246 423 G C -0.175 174.140 174.900 -0.975 0.000 1.322 423 G CA 0.102 44.755 45.100 -0.745 0.000 0.898 423 G HN 0.404 nan 8.290 nan 0.000 0.573 424 F N 1.833 121.770 119.950 -0.022 0.000 2.772 424 F HA 0.424 4.951 4.527 0.000 0.000 0.316 424 F C 0.974 176.785 175.800 0.019 0.000 1.114 424 F CA 0.590 58.589 58.000 -0.001 0.000 1.191 424 F CB 0.631 39.632 39.000 0.002 0.000 1.065 424 F HN 0.892 nan 8.300 nan 0.000 0.534 425 E N -2.010 118.231 120.200 0.068 0.000 2.415 425 E HA 0.162 4.512 4.350 0.000 0.000 0.271 425 E C -0.978 175.554 176.600 -0.114 0.000 1.094 425 E CA -0.973 55.468 56.400 0.070 0.000 0.881 425 E CB 0.977 30.737 29.700 0.099 0.000 1.581 425 E HN 0.030 nan 8.360 nan 0.000 0.460 426 H N 0.439 119.328 119.070 -0.301 0.000 2.972 426 H HA 0.364 4.920 4.556 0.000 0.000 0.343 426 H C -1.388 173.731 175.328 -0.348 0.000 1.054 426 H CA 1.013 56.643 56.048 -0.697 0.000 1.412 426 H CB 0.787 30.230 29.762 -0.531 0.000 1.385 426 H HN 0.588 nan 8.280 nan 0.000 0.600 427 A N 3.677 125.856 122.820 -1.068 0.000 2.422 427 A HA 0.559 4.879 4.320 0.000 0.000 0.302 427 A C 0.691 177.793 177.584 -0.802 0.000 1.041 427 A CA -0.103 51.522 52.037 -0.687 0.000 0.708 427 A CB 1.239 20.029 19.000 -0.350 0.000 1.257 427 A HN 0.872 nan 8.150 nan 0.000 0.414 428 A N 1.201 123.773 122.820 -0.414 0.000 1.902 428 A HA 0.330 4.650 4.320 0.000 0.000 0.217 428 A C 1.184 178.700 177.584 -0.114 0.000 1.181 428 A CA 2.050 53.986 52.037 -0.169 0.000 0.623 428 A CB -0.216 18.784 19.000 -0.000 0.000 0.818 428 A HN 1.578 nan 8.150 nan 0.000 0.443 429 S N -1.740 113.897 115.700 -0.103 0.000 2.535 429 S HA 0.554 5.024 4.470 0.000 0.000 0.272 429 S C -1.646 172.928 174.600 -0.043 0.000 1.149 429 S CA -0.662 57.510 58.200 -0.047 0.000 0.888 429 S CB 1.158 64.339 63.200 -0.030 0.000 1.110 429 S HN 0.460 nan 8.310 nan 0.000 0.463 430 Q N 2.080 121.882 119.800 0.003 0.000 2.359 430 Q HA 0.477 4.817 4.340 0.000 0.000 0.274 430 Q C -1.462 174.571 176.000 0.056 0.000 1.074 430 Q CA -1.057 54.757 55.803 0.020 0.000 0.810 430 Q CB 1.681 30.430 28.738 0.017 0.000 1.342 430 Q HN 0.529 nan 8.270 nan 0.000 0.427 431 N N 2.680 121.399 118.700 0.031 0.000 2.678 431 N HA 0.322 5.062 4.740 0.000 0.000 0.231 431 N C -0.977 174.579 175.510 0.077 0.000 1.038 431 N CA -0.049 53.019 53.050 0.030 0.000 0.932 431 N CB 0.679 39.164 38.487 -0.002 0.000 1.176 431 N HN 0.421 nan 8.380 nan 0.000 0.511 432 L N 0.686 122.004 121.223 0.157 0.000 2.399 432 L HA 0.768 5.108 4.340 0.000 0.000 0.265 432 L C 1.196 178.170 176.870 0.173 0.000 1.089 432 L CA -0.391 54.553 54.840 0.174 0.000 0.802 432 L CB 1.229 43.442 42.059 0.257 0.000 1.180 432 L HN 0.574 nan 8.230 nan 0.000 0.454 433 G N 0.961 109.855 108.800 0.156 0.000 2.346 433 G HA2 -0.080 3.880 3.960 0.000 0.000 0.294 433 G HA3 -0.080 3.880 3.960 0.000 0.000 0.294 433 G C -1.468 173.549 174.900 0.195 0.000 1.294 433 G CA -0.792 44.442 45.100 0.224 0.000 0.962 433 G HN 0.464 nan 8.290 nan 0.000 0.508 434 D N 1.297 121.844 120.400 0.245 0.000 2.943 434 D HA 0.488 5.128 4.640 0.000 0.000 0.249 434 D C 1.650 177.960 176.300 0.018 0.000 1.231 434 D CA 0.612 54.662 54.000 0.083 0.000 0.979 434 D CB 0.548 41.341 40.800 -0.012 0.000 1.053 434 D HN 0.740 nan 8.370 nan 0.000 0.504 435 A N 0.453 123.299 122.820 0.043 0.000 1.978 435 A HA -0.094 4.226 4.320 0.000 0.000 0.220 435 A C 2.226 179.809 177.584 -0.001 0.000 1.170 435 A CA 1.693 53.742 52.037 0.022 0.000 0.636 435 A CB -0.471 18.545 19.000 0.027 0.000 0.810 435 A HN 0.430 nan 8.150 nan 0.000 0.448 436 G N -0.502 108.296 108.800 -0.003 0.000 2.471 436 G HA2 -0.038 3.922 3.960 0.000 0.000 0.219 436 G HA3 -0.038 3.922 3.960 0.000 0.000 0.219 436 G C 1.302 176.187 174.900 -0.024 0.000 1.125 436 G CA 0.806 45.900 45.100 -0.010 0.000 0.775 436 G HN 0.472 nan 8.290 nan 0.000 0.548 437 L N 0.158 121.356 121.223 -0.042 0.000 2.599 437 L HA 0.234 4.574 4.340 0.000 0.000 0.230 437 L C 2.023 178.852 176.870 -0.068 0.000 1.141 437 L CA 0.418 55.219 54.840 -0.065 0.000 0.877 437 L CB -0.129 41.866 42.059 -0.106 0.000 1.009 437 L HN 0.340 nan 8.230 nan 0.000 0.447 438 G N 0.618 109.388 108.800 -0.051 0.000 2.143 438 G HA2 -0.263 3.697 3.960 0.000 0.000 0.248 438 G HA3 -0.263 3.697 3.960 0.000 0.000 0.248 438 G C 0.191 175.060 174.900 -0.052 0.000 0.991 438 G CA -0.066 45.010 45.100 -0.040 0.000 0.689 438 G HN 0.235 nan 8.290 nan 0.000 0.522 439 L N -0.059 121.111 121.223 -0.088 0.000 2.421 439 L HA 0.517 4.857 4.340 0.000 0.000 0.263 439 L C 1.005 177.899 176.870 0.040 0.000 1.122 439 L CA -0.812 53.960 54.840 -0.112 0.000 0.804 439 L CB 0.938 42.722 42.059 -0.457 0.000 1.150 439 L HN 0.295 nan 8.230 nan 0.000 0.457 440 E N 0.686 120.969 120.200 0.138 0.000 2.373 440 E HA 0.123 4.473 4.350 0.000 0.000 0.267 440 E C -0.583 176.140 176.600 0.204 0.000 1.032 440 E CA -0.473 56.013 56.400 0.144 0.000 0.889 440 E CB 0.986 30.763 29.700 0.127 0.000 0.984 440 E HN 0.636 nan 8.360 nan 0.000 0.425 441 T N 1.340 115.965 114.554 0.118 0.000 2.912 441 T HA 0.326 4.676 4.350 0.000 0.000 0.280 441 T C -0.564 174.179 174.700 0.072 0.000 0.989 441 T CA -0.690 61.477 62.100 0.112 0.000 0.995 441 T CB 1.191 70.102 68.868 0.071 0.000 1.077 441 T HN 0.609 nan 8.240 nan 0.000 0.531 442 H N -0.838 118.189 119.070 -0.072 0.000 2.667 442 H HA 0.469 5.025 4.556 0.000 0.000 0.353 442 H C -0.822 174.316 175.328 -0.317 0.000 1.072 442 H CA -0.473 55.437 56.048 -0.229 0.000 1.214 442 H CB 1.599 31.158 29.762 -0.338 0.000 1.600 442 H HN 0.727 nan 8.280 nan 0.000 0.527 443 T N 5.260 119.448 114.554 -0.610 0.000 2.761 443 T HA 0.162 4.512 4.350 0.000 0.000 0.296 443 T C -0.865 173.584 174.700 -0.420 0.000 0.934 443 T CA 0.016 61.890 62.100 -0.378 0.000 1.091 443 T CB -0.289 68.414 68.868 -0.276 0.000 0.896 443 T HN 0.315 nan 8.240 nan 0.000 0.515 444 Y N 2.408 122.740 120.300 0.054 0.000 2.420 444 Y HA 0.468 5.018 4.550 0.000 0.000 0.334 444 Y C 0.791 176.700 175.900 0.016 0.000 1.094 444 Y CA -1.130 57.022 58.100 0.087 0.000 1.126 444 Y CB 1.384 39.904 38.460 0.100 0.000 1.217 444 Y HN 0.502 nan 8.280 nan 0.000 0.462 445 N N 2.093 120.904 118.700 0.184 0.000 2.272 445 N HA 0.197 4.937 4.740 0.000 0.000 0.305 445 N C -1.294 174.281 175.510 0.108 0.000 1.103 445 N CA -0.658 52.449 53.050 0.095 0.000 0.791 445 N CB 1.782 40.309 38.487 0.067 0.000 1.356 445 N HN 0.575 nan 8.380 nan 0.000 0.486 446 Q N -0.770 119.064 119.800 0.056 0.000 2.457 446 Q HA -0.116 4.224 4.340 0.000 0.000 0.333 446 Q C -0.953 175.092 176.000 0.074 0.000 1.448 446 Q CA 0.475 56.344 55.803 0.110 0.000 0.891 446 Q CB -1.922 26.960 28.738 0.241 0.000 1.142 446 Q HN 0.400 nan 8.270 nan 0.000 0.375 447 V N 1.156 120.966 119.914 -0.174 0.000 2.481 447 V HA 0.550 4.670 4.120 0.000 0.000 0.286 447 V C 0.131 176.035 176.094 -0.317 0.000 1.042 447 V CA -0.376 61.858 62.300 -0.110 0.000 0.928 447 V CB 1.001 32.753 31.823 -0.119 0.000 0.986 447 V HN 0.317 nan 8.190 nan 0.000 0.462 448 Y N 3.892 124.210 120.300 0.029 0.000 2.570 448 Y HA 0.536 5.086 4.550 0.000 0.000 0.345 448 Y C -2.288 173.629 175.900 0.029 0.000 1.014 448 Y CA -2.717 55.408 58.100 0.042 0.000 1.063 448 Y CB 2.185 40.684 38.460 0.066 0.000 1.272 448 Y HN 0.435 nan 8.280 nan 0.000 0.477 449 P HA 0.012 nan 4.420 nan 0.000 0.269 449 P C -2.115 175.215 177.300 0.049 0.000 1.215 449 P CA -1.153 61.949 63.100 0.003 0.000 0.780 449 P CB 0.492 32.193 31.700 0.002 0.000 0.898 450 P HA -0.044 nan 4.420 nan 0.000 0.216 450 P C 0.443 177.581 177.300 -0.270 0.000 1.153 450 P CA 1.411 64.095 63.100 -0.694 0.000 0.844 450 P CB 0.189 31.088 31.700 -1.334 0.000 0.787 451 L N 0.568 121.692 121.223 -0.166 0.000 2.423 451 L HA 0.206 4.546 4.340 0.000 0.000 0.249 451 L C 0.424 177.349 176.870 0.093 0.000 1.276 451 L CA -0.759 54.072 54.840 -0.014 0.000 1.199 451 L CB -0.500 41.460 42.059 -0.165 0.000 1.407 451 L HN -0.086 nan 8.230 nan 0.000 0.410 452 L N 2.213 123.485 121.223 0.083 0.000 2.302 452 L HA 0.199 4.539 4.340 0.000 0.000 0.285 452 L C 0.725 177.558 176.870 -0.061 0.000 1.090 452 L CA 0.472 55.328 54.840 0.027 0.000 0.866 452 L CB 0.578 42.622 42.059 -0.025 0.000 1.244 452 L HN 0.446 nan 8.230 nan 0.000 0.435 453 L N 1.937 123.170 121.223 0.016 0.000 2.477 453 L HA 0.258 4.598 4.340 0.000 0.000 0.220 453 L C 0.658 177.533 176.870 0.008 0.000 1.106 453 L CA 0.285 55.130 54.840 0.008 0.000 0.851 453 L CB 0.025 42.124 42.059 0.067 0.000 0.994 453 L HN 0.656 nan 8.230 nan 0.000 0.462 454 S N -0.500 115.214 115.700 0.023 0.000 2.543 454 S HA 0.154 4.624 4.470 0.000 0.000 0.271 454 S C -0.136 174.486 174.600 0.038 0.000 1.148 454 S CA -0.745 57.471 58.200 0.026 0.000 0.914 454 S CB 1.378 64.604 63.200 0.044 0.000 1.096 454 S HN 0.316 nan 8.310 nan 0.000 0.471 455 D N 2.830 123.235 120.400 0.008 0.000 2.378 455 D HA 0.134 4.774 4.640 0.000 0.000 0.227 455 D C 0.869 177.213 176.300 0.073 0.000 1.012 455 D CA 0.723 54.737 54.000 0.023 0.000 0.905 455 D CB 0.200 40.972 40.800 -0.046 0.000 0.895 455 D HN 0.259 nan 8.370 nan 0.000 0.532 456 S N -1.378 114.362 115.700 0.067 0.000 3.330 456 S HA 0.074 4.544 4.470 0.000 0.000 0.259 456 S C 0.560 175.199 174.600 0.064 0.000 1.095 456 S CA -0.330 57.907 58.200 0.061 0.000 0.841 456 S CB 0.168 63.390 63.200 0.037 0.000 0.890 456 S HN 0.149 nan 8.310 nan 0.000 0.446 457 S N 4.407 120.140 115.700 0.055 0.000 2.962 457 S HA 0.155 4.625 4.470 0.000 0.000 0.320 457 S C -1.668 172.971 174.600 0.065 0.000 1.186 457 S CA -1.370 56.860 58.200 0.050 0.000 1.180 457 S CB 0.356 63.579 63.200 0.038 0.000 1.491 457 S HN 0.182 nan 8.310 nan 0.000 0.556 458 P HA -0.075 nan 4.420 nan 0.000 0.219 458 P C 1.229 178.541 177.300 0.019 0.000 1.146 458 P CA 0.868 64.025 63.100 0.096 0.000 0.808 458 P CB 0.031 31.795 31.700 0.108 0.000 0.779 459 A N 0.484 123.294 122.820 -0.017 0.000 1.933 459 A HA -0.058 4.262 4.320 0.000 0.000 0.218 459 A C 2.413 179.972 177.584 -0.043 0.000 1.175 459 A CA 1.982 53.980 52.037 -0.065 0.000 0.628 459 A CB -1.432 17.542 19.000 -0.043 0.000 0.814 459 A HN 0.228 nan 8.150 nan 0.000 0.444 460 A N 0.346 123.169 122.820 0.005 0.000 1.930 460 A HA -0.170 4.150 4.320 0.000 0.000 0.217 460 A C 1.896 179.509 177.584 0.047 0.000 1.175 460 A CA 1.681 53.734 52.037 0.026 0.000 0.627 460 A CB -0.552 18.472 19.000 0.040 0.000 0.815 460 A HN 0.543 nan 8.150 nan 0.000 0.443 461 N N 0.587 119.334 118.700 0.078 0.000 2.188 461 N HA -0.074 4.666 4.740 0.000 0.000 0.184 461 N C 1.828 177.429 175.510 0.152 0.000 1.018 461 N CA 1.515 54.658 53.050 0.155 0.000 0.858 461 N CB -0.564 38.062 38.487 0.233 0.000 0.989 461 N HN 0.467 nan 8.380 nan 0.000 0.426 462 A N 1.017 123.788 122.820 -0.083 0.000 1.930 462 A HA -0.068 4.252 4.320 0.000 0.000 0.217 462 A C 2.284 179.761 177.584 -0.178 0.000 1.175 462 A CA 1.091 52.855 52.037 -0.456 0.000 0.627 462 A CB -0.283 18.215 19.000 -0.837 0.000 0.815 462 A HN 0.050 nan 8.150 nan 0.000 0.443 463 R N -0.042 120.407 120.500 -0.084 0.000 2.073 463 R HA -0.083 4.257 4.340 0.000 0.000 0.234 463 R C 1.771 178.074 176.300 0.005 0.000 1.134 463 R CA 1.720 57.800 56.100 -0.033 0.000 0.952 463 R CB -1.013 29.285 30.300 -0.003 0.000 0.850 463 R HN 0.481 nan 8.270 nan 0.000 0.433 464 I N -0.134 120.455 120.570 0.031 0.000 2.252 464 I HA -0.175 3.995 4.170 0.000 0.000 0.245 464 I C 1.851 177.968 176.117 0.000 0.000 1.102 464 I CA 1.161 62.476 61.300 0.024 0.000 1.385 464 I CB -0.295 37.729 38.000 0.040 0.000 1.064 464 I HN -0.028 nan 8.210 nan 0.000 0.414 465 V N 0.823 120.762 119.914 0.043 0.000 2.295 465 V HA -0.304 3.816 4.120 0.000 0.000 0.246 465 V C 2.699 178.831 176.094 0.064 0.000 1.049 465 V CA 2.443 64.789 62.300 0.077 0.000 1.024 465 V CB -1.556 30.415 31.823 0.247 0.000 0.648 465 V HN 0.691 nan 8.190 nan 0.000 0.447 466 T N -1.003 113.573 114.554 0.035 0.000 2.788 466 T HA -0.144 4.206 4.350 0.000 0.000 0.268 466 T C 1.933 176.648 174.700 0.024 0.000 1.044 466 T CA 1.521 63.633 62.100 0.020 0.000 1.139 466 T CB -0.517 68.333 68.868 -0.030 0.000 0.867 466 T HN 0.459 nan 8.240 nan 0.000 0.454 467 A N 1.884 124.716 122.820 0.020 0.000 1.865 467 A HA 0.058 4.378 4.320 0.000 0.000 0.217 467 A C 2.421 180.019 177.584 0.022 0.000 1.191 467 A CA 1.606 53.658 52.037 0.025 0.000 0.623 467 A CB -0.997 18.024 19.000 0.035 0.000 0.826 467 A HN 0.577 nan 8.150 nan 0.000 0.444 468 I N -0.194 120.395 120.570 0.031 0.000 2.151 468 I HA -0.276 3.894 4.170 0.000 0.000 0.243 468 I C 2.625 178.798 176.117 0.093 0.000 1.080 468 I CA 1.384 62.727 61.300 0.071 0.000 1.339 468 I CB -0.580 37.454 38.000 0.056 0.000 1.039 468 I HN 0.417 nan 8.210 nan 0.000 0.409 469 G N -0.488 108.366 108.800 0.091 0.000 2.471 469 G HA2 -0.162 3.798 3.960 0.000 0.000 0.219 469 G HA3 -0.162 3.798 3.960 0.000 0.000 0.219 469 G C 1.424 176.391 174.900 0.112 0.000 1.125 469 G CA 0.370 45.541 45.100 0.118 0.000 0.775 469 G HN 0.314 nan 8.290 nan 0.000 0.548 470 Q N -0.194 119.642 119.800 0.059 0.000 2.219 470 Q HA 0.319 4.659 4.340 0.000 0.000 0.209 470 Q C 0.736 176.738 176.000 0.004 0.000 0.854 470 Q CA -0.253 55.580 55.803 0.050 0.000 0.960 470 Q CB 0.493 29.257 28.738 0.043 0.000 1.116 470 Q HN 0.407 nan 8.270 nan 0.000 0.500 471 L N 1.096 122.233 121.223 -0.144 0.000 2.483 471 L HA 0.033 4.373 4.340 0.000 0.000 0.275 471 L C 0.918 177.716 176.870 -0.120 0.000 1.220 471 L CA 0.162 54.806 54.840 -0.326 0.000 0.833 471 L CB 0.160 41.705 42.059 -0.856 0.000 1.102 471 L HN 0.173 nan 8.230 nan 0.000 0.490 472 H N 3.488 122.512 119.070 -0.076 0.000 2.594 472 H HA 0.203 4.759 4.556 0.000 0.000 0.304 472 H C -0.808 174.613 175.328 0.155 0.000 1.068 472 H CA -1.010 55.077 56.048 0.066 0.000 1.308 472 H CB 1.407 31.187 29.762 0.030 0.000 1.409 472 H HN 0.420 nan 8.280 nan 0.000 0.460 473 M N 5.183 124.650 119.600 -0.222 0.000 2.108 473 M HA 0.286 4.766 4.480 0.000 0.000 0.347 473 M C -0.345 175.569 176.300 -0.645 0.000 1.326 473 M CA -0.272 54.862 55.300 -0.275 0.000 1.126 473 M CB 0.123 32.598 32.600 -0.208 0.000 1.606 473 M HN 0.639 nan 8.290 nan 0.000 0.462 474 A N 5.218 127.694 122.820 -0.573 0.000 2.498 474 A HA 0.445 4.765 4.320 0.000 0.000 0.239 474 A C -0.036 177.334 177.584 -0.358 0.000 1.068 474 A CA -0.207 51.555 52.037 -0.458 0.000 0.766 474 A CB 0.181 18.880 19.000 -0.502 0.000 1.003 474 A HN 0.835 nan 8.150 nan 0.000 0.497 475 R N 1.008 121.420 120.500 -0.148 0.000 2.490 475 R HA 0.610 4.950 4.340 0.000 0.000 0.278 475 R C -0.017 176.325 176.300 0.070 0.000 1.069 475 R CA 0.242 56.336 56.100 -0.011 0.000 1.080 475 R CB 1.149 31.481 30.300 0.053 0.000 1.030 475 R HN 0.678 nan 8.270 nan 0.000 0.491 476 S N 0.354 116.170 115.700 0.193 0.000 2.543 476 S HA 0.649 5.119 4.470 0.000 0.000 0.274 476 S C -1.578 173.290 174.600 0.448 0.000 1.149 476 S CA -0.669 57.737 58.200 0.343 0.000 0.866 476 S CB 1.172 64.620 63.200 0.413 0.000 1.111 476 S HN 0.513 nan 8.310 nan 0.000 0.457 477 S N 2.597 118.549 115.700 0.420 0.000 2.564 477 S HA 0.629 5.099 4.470 0.000 0.000 0.274 477 S C -1.660 173.124 174.600 0.307 0.000 1.124 477 S CA -1.045 57.353 58.200 0.331 0.000 0.869 477 S CB 1.858 65.220 63.200 0.269 0.000 1.105 477 S HN 0.644 nan 8.310 nan 0.000 0.472 478 K N 1.448 121.966 120.400 0.197 0.000 2.471 478 K HA 0.586 4.906 4.320 0.000 0.000 0.252 478 K C -1.528 175.089 176.600 0.028 0.000 0.938 478 K CA -0.659 55.683 56.287 0.092 0.000 0.796 478 K CB 2.216 34.789 32.500 0.122 0.000 1.161 478 K HN 0.363 nan 8.250 nan 0.000 0.425 479 V N 4.504 124.363 119.914 -0.092 0.000 2.370 479 V HA 0.461 4.581 4.120 0.000 0.000 0.279 479 V C -0.713 175.313 176.094 -0.113 0.000 1.029 479 V CA -0.527 61.758 62.300 -0.025 0.000 0.870 479 V CB 0.240 32.062 31.823 -0.002 0.000 0.984 479 V HN 0.559 nan 8.190 nan 0.000 0.451 480 F N 2.483 122.424 119.950 -0.014 0.000 2.561 480 F HA 0.893 5.420 4.527 0.000 0.000 0.321 480 F C 0.363 175.964 175.800 -0.331 0.000 1.065 480 F CA -0.386 57.390 58.000 -0.373 0.000 0.934 480 F CB 2.229 40.467 39.000 -1.269 0.000 1.215 480 F HN 0.604 nan 8.300 nan 0.000 0.471 481 A N 0.486 123.254 122.820 -0.086 0.000 2.593 481 A HA 0.812 5.132 4.320 0.000 0.000 0.290 481 A C -1.337 176.313 177.584 0.110 0.000 1.126 481 A CA -0.725 51.257 52.037 -0.092 0.000 0.695 481 A CB 1.376 20.136 19.000 -0.400 0.000 1.290 481 A HN 0.552 nan 8.150 nan 0.000 0.414 482 T N 0.574 115.189 114.554 0.101 0.000 2.794 482 T HA 0.587 4.937 4.350 0.000 0.000 0.280 482 T C -1.013 173.753 174.700 0.110 0.000 0.987 482 T CA -0.317 61.857 62.100 0.124 0.000 0.993 482 T CB 1.191 70.046 68.868 -0.021 0.000 0.939 482 T HN 1.107 nan 8.240 nan 0.000 0.449 483 V N 3.614 123.645 119.914 0.195 0.000 2.789 483 V HA 0.485 4.605 4.120 0.000 0.000 0.311 483 V C -0.772 175.475 176.094 0.254 0.000 1.073 483 V CA -1.106 61.307 62.300 0.189 0.000 0.921 483 V CB 2.093 33.995 31.823 0.133 0.000 1.009 483 V HN 0.798 nan 8.190 nan 0.000 0.426 484 K N 3.135 123.634 120.400 0.165 0.000 2.412 484 K HA 0.172 4.492 4.320 0.000 0.000 0.281 484 K C 1.142 177.735 176.600 -0.011 0.000 1.027 484 K CA 0.360 56.635 56.287 -0.021 0.000 0.989 484 K CB 0.838 33.291 32.500 -0.079 0.000 0.935 484 K HN 0.833 nan 8.250 nan 0.000 0.475 485 T N 1.765 116.287 114.554 -0.053 0.000 2.803 485 T HA -0.214 4.136 4.350 0.000 0.000 0.269 485 T C 1.814 176.486 174.700 -0.047 0.000 1.052 485 T CA 1.594 63.678 62.100 -0.026 0.000 1.136 485 T CB -0.083 68.765 68.868 -0.033 0.000 0.864 485 T HN 0.741 nan 8.240 nan 0.000 0.467 486 A N 1.284 124.058 122.820 -0.078 0.000 2.125 486 A HA 0.211 4.532 4.320 0.000 0.000 0.219 486 A C 2.598 180.127 177.584 -0.091 0.000 1.156 486 A CA 1.475 53.460 52.037 -0.086 0.000 0.671 486 A CB -0.901 18.043 19.000 -0.093 0.000 0.794 486 A HN 0.517 nan 8.150 nan 0.000 0.459 487 A N 0.032 122.815 122.820 -0.061 0.000 1.978 487 A HA -0.095 4.225 4.320 0.000 0.000 0.220 487 A C 1.966 179.460 177.584 -0.150 0.000 1.170 487 A CA 1.459 53.453 52.037 -0.070 0.000 0.636 487 A CB -0.573 18.446 19.000 0.032 0.000 0.810 487 A HN 0.518 nan 8.150 nan 0.000 0.448 488 L N -0.437 120.732 121.223 -0.091 0.000 2.456 488 L HA -0.125 4.215 4.340 0.000 0.000 0.224 488 L C 0.924 177.681 176.870 -0.188 0.000 1.148 488 L CA 0.794 55.572 54.840 -0.103 0.000 0.825 488 L CB -0.346 41.689 42.059 -0.039 0.000 0.937 488 L HN 0.291 nan 8.230 nan 0.000 0.450 489 D N -1.254 119.026 120.400 -0.200 0.000 2.339 489 D HA 0.006 4.646 4.640 0.000 0.000 0.217 489 D C 0.879 176.996 176.300 -0.305 0.000 1.050 489 D CA 0.191 54.067 54.000 -0.208 0.000 0.856 489 D CB 0.171 40.884 40.800 -0.145 0.000 0.922 489 D HN 0.227 nan 8.370 nan 0.000 0.518 490 Q N 1.069 120.581 119.800 -0.479 0.000 2.432 490 Q HA 0.026 4.366 4.340 0.000 0.000 0.264 490 Q C -1.343 174.246 176.000 -0.685 0.000 1.035 490 Q CA -0.847 54.525 55.803 -0.720 0.000 0.908 490 Q CB 0.684 28.565 28.738 -1.429 0.000 1.280 490 Q HN 0.071 nan 8.270 nan 0.000 0.455 491 P HA -0.111 nan 4.420 nan 0.000 0.223 491 P C 0.793 177.984 177.300 -0.181 0.000 1.151 491 P CA 1.300 64.243 63.100 -0.262 0.000 0.787 491 P CB -0.105 31.538 31.700 -0.094 0.000 0.788 492 W N -0.630 120.646 121.300 -0.039 0.000 3.256 492 W HA 0.303 4.963 4.660 0.000 0.000 0.269 492 W C -0.568 175.859 176.519 -0.154 0.000 1.310 492 W CA -0.369 56.952 57.345 -0.040 0.000 1.673 492 W CB -0.628 28.875 29.460 0.072 0.000 1.115 492 W HN -0.349 nan 8.180 nan 0.000 0.686 493 V N 5.304 125.026 119.914 -0.320 0.000 2.432 493 V HA 0.152 4.272 4.120 0.000 0.000 0.271 493 V C -1.450 174.298 176.094 -0.578 0.000 1.046 493 V CA -1.551 60.435 62.300 -0.523 0.000 0.945 493 V CB 0.742 32.317 31.823 -0.413 0.000 0.992 493 V HN -0.243 nan 8.190 nan 0.000 0.471 494 P HA 0.234 nan 4.420 nan 0.000 0.272 494 P C -0.816 176.293 177.300 -0.318 0.000 1.230 494 P CA -0.297 62.495 63.100 -0.515 0.000 0.788 494 P CB 0.746 32.103 31.700 -0.570 0.000 0.949 495 Q N 0.019 119.714 119.800 -0.174 0.000 2.387 495 Q HA 0.439 4.779 4.340 0.000 0.000 0.273 495 Q C -1.416 174.617 176.000 0.055 0.000 1.089 495 Q CA -0.490 55.277 55.803 -0.061 0.000 0.824 495 Q CB 2.446 31.141 28.738 -0.073 0.000 1.367 495 Q HN 0.492 nan 8.270 nan 0.000 0.443 496 W N 2.575 123.812 121.300 -0.106 0.000 2.424 496 W HA 0.347 5.007 4.660 -0.000 0.000 0.318 496 W C -0.346 176.137 176.519 -0.060 0.000 1.016 496 W CA -0.401 56.898 57.345 -0.075 0.000 1.268 496 W CB 0.783 30.192 29.460 -0.084 0.000 1.297 496 W HN 0.692 nan 8.180 nan 0.000 0.428 497 R N 4.668 124.942 120.500 -0.376 0.000 3.322 497 R HA -0.225 4.115 4.340 0.000 0.000 0.253 497 R C 1.098 177.334 176.300 -0.106 0.000 0.987 497 R CA 1.185 57.071 56.100 -0.357 0.000 0.666 497 R CB -1.777 28.136 30.300 -0.645 0.000 1.072 497 R HN 1.287 nan 8.270 nan 0.000 0.447 498 G N -0.324 108.438 108.800 -0.063 0.000 2.184 498 G HA2 -0.391 3.569 3.960 0.000 0.000 0.264 498 G HA3 -0.391 3.569 3.960 0.000 0.000 0.264 498 G C -0.058 174.845 174.900 0.005 0.000 0.975 498 G CA 0.602 45.682 45.100 -0.034 0.000 0.642 498 G HN 0.579 nan 8.290 nan 0.000 0.536 499 E N 1.229 121.475 120.200 0.078 0.000 2.166 499 E HA 0.557 4.907 4.350 0.000 0.000 0.275 499 E C -2.531 174.092 176.600 0.038 0.000 0.941 499 E CA -2.539 53.905 56.400 0.073 0.000 0.784 499 E CB 1.924 31.710 29.700 0.143 0.000 1.115 499 E HN 0.121 nan 8.360 nan 0.000 0.399 500 P HA 0.030 nan 4.420 nan 0.000 0.272 500 P C -0.309 176.961 177.300 -0.050 0.000 1.223 500 P CA -0.148 62.913 63.100 -0.067 0.000 0.784 500 P CB 0.419 32.072 31.700 -0.078 0.000 0.923 501 I N 2.939 123.463 120.570 -0.077 0.000 2.668 501 I HA -0.072 4.098 4.170 0.000 0.000 0.285 501 I C 1.268 177.411 176.117 0.044 0.000 1.168 501 I CA 1.070 62.351 61.300 -0.032 0.000 1.424 501 I CB -0.121 37.885 38.000 0.010 0.000 1.377 501 I HN 0.474 nan 8.210 nan 0.000 0.560 502 K N 4.271 124.666 120.400 -0.008 0.000 2.477 502 K HA 0.407 4.727 4.320 0.000 0.000 0.208 502 K C -0.152 176.438 176.600 -0.017 0.000 1.117 502 K CA -0.032 56.266 56.287 0.019 0.000 1.039 502 K CB 1.243 33.734 32.500 -0.015 0.000 0.937 502 K HN 0.686 nan 8.250 nan 0.000 0.570 503 A N 0.927 123.684 122.820 -0.107 0.000 2.455 503 A HA 0.672 4.992 4.320 0.000 0.000 0.300 503 A C -1.245 176.177 177.584 -0.270 0.000 1.040 503 A CA -0.595 51.293 52.037 -0.248 0.000 0.697 503 A CB 1.646 20.498 19.000 -0.245 0.000 1.265 503 A HN -0.060 nan 8.150 nan 0.000 0.407 504 V N 2.309 121.983 119.914 -0.399 0.000 2.569 504 V HA 0.483 4.603 4.120 0.000 0.000 0.301 504 V C -0.717 175.220 176.094 -0.262 0.000 1.044 504 V CA -0.551 61.532 62.300 -0.363 0.000 0.874 504 V CB 1.702 33.005 31.823 -0.866 0.000 1.002 504 V HN 0.715 nan 8.190 nan 0.000 0.424 505 V N 4.494 124.380 119.914 -0.046 0.000 2.384 505 V HA 0.821 4.941 4.120 0.000 0.000 0.287 505 V C 0.032 176.178 176.094 0.086 0.000 1.020 505 V CA -0.121 62.207 62.300 0.046 0.000 0.850 505 V CB 1.743 33.656 31.823 0.149 0.000 0.987 505 V HN 1.058 nan 8.190 nan 0.000 0.436 506 S N 1.775 117.492 115.700 0.028 0.000 2.579 506 S HA 0.455 4.925 4.470 0.000 0.000 0.272 506 S C -0.358 174.217 174.600 -0.041 0.000 1.141 506 S CA -0.608 57.565 58.200 -0.045 0.000 0.843 506 S CB 2.079 65.315 63.200 0.059 0.000 1.122 506 S HN 0.738 nan 8.310 nan 0.000 0.468 507 D N 0.510 120.841 120.400 -0.115 0.000 2.370 507 D HA 0.068 4.708 4.640 0.000 0.000 0.230 507 D C 1.389 177.624 176.300 -0.109 0.000 1.143 507 D CA 0.289 54.238 54.000 -0.084 0.000 0.834 507 D CB -0.348 40.395 40.800 -0.095 0.000 0.944 507 D HN 0.488 nan 8.370 nan 0.000 0.504 508 S N -1.039 114.609 115.700 -0.087 0.000 2.507 508 S HA 0.181 4.651 4.470 0.000 0.000 0.235 508 S C 1.894 176.497 174.600 0.004 0.000 0.988 508 S CA 0.621 58.794 58.200 -0.045 0.000 0.944 508 S CB -0.392 62.858 63.200 0.084 0.000 0.762 508 S HN 0.580 nan 8.310 nan 0.000 0.526 509 G N 0.931 109.736 108.800 0.008 0.000 2.259 509 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 509 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 509 G C 0.664 175.582 174.900 0.030 0.000 1.001 509 G CA 0.169 45.279 45.100 0.018 0.000 0.627 509 G HN 0.477 nan 8.290 nan 0.000 0.501 510 L N 0.317 121.572 121.223 0.053 0.000 2.240 510 L HA 0.392 4.732 4.340 0.000 0.000 0.211 510 L C 2.758 179.636 176.870 0.013 0.000 1.106 510 L CA 1.240 56.113 54.840 0.055 0.000 0.793 510 L CB -0.457 41.669 42.059 0.112 0.000 0.927 510 L HN 1.302 nan 8.230 nan 0.000 0.446 511 A N -0.017 122.801 122.820 -0.003 0.000 1.282 511 A HA -0.282 4.038 4.320 0.000 0.000 0.224 511 A C 0.725 178.270 177.584 -0.065 0.000 0.457 511 A CA 1.263 53.271 52.037 -0.048 0.000 1.095 511 A CB -1.692 17.235 19.000 -0.123 0.000 1.470 511 A HN 0.742 nan 8.150 nan 0.000 0.723 512 A N -1.143 121.623 122.820 -0.090 0.000 2.459 512 A HA 0.732 5.052 4.320 0.000 0.000 0.296 512 A C -0.361 177.158 177.584 -0.110 0.000 1.039 512 A CA 0.789 52.746 52.037 -0.134 0.000 0.698 512 A CB 1.483 20.441 19.000 -0.069 0.000 1.261 512 A HN 1.690 nan 8.150 nan 0.000 0.405 513 S N 0.605 116.101 115.700 -0.341 0.000 2.541 513 S HA 0.834 5.304 4.470 0.000 0.000 0.280 513 S C -1.548 172.809 174.600 -0.405 0.000 1.112 513 S CA -0.358 57.738 58.200 -0.172 0.000 0.925 513 S CB 1.062 64.255 63.200 -0.012 0.000 1.067 513 S HN 0.544 nan 8.310 nan 0.000 0.479 514 Y N -0.135 120.214 120.300 0.081 0.000 2.504 514 Y HA 0.529 5.079 4.550 0.000 0.000 0.344 514 Y C -0.597 175.367 175.900 0.107 0.000 1.023 514 Y CA -1.130 57.020 58.100 0.084 0.000 1.020 514 Y CB 1.584 40.114 38.460 0.116 0.000 1.282 514 Y HN 0.374 nan 8.280 nan 0.000 0.454 515 V N 3.955 124.005 119.914 0.228 0.000 2.266 515 V HA 0.339 4.459 4.120 0.000 0.000 0.271 515 V C -0.612 175.562 176.094 0.135 0.000 1.032 515 V CA -0.745 61.667 62.300 0.186 0.000 0.806 515 V CB 0.609 32.535 31.823 0.172 0.000 1.052 515 V HN 0.558 nan 8.190 nan 0.000 0.449 516 V N 7.041 127.044 119.914 0.149 0.000 2.407 516 V HA 0.363 4.483 4.120 0.000 0.000 0.278 516 V C -2.086 174.056 176.094 0.080 0.000 1.037 516 V CA -2.113 60.234 62.300 0.079 0.000 0.900 516 V CB 1.697 33.581 31.823 0.103 0.000 0.983 516 V HN 0.598 nan 8.190 nan 0.000 0.459 517 P HA 0.030 nan 4.420 nan 0.000 0.266 517 P C 0.096 177.430 177.300 0.057 0.000 1.195 517 P CA 0.267 63.392 63.100 0.041 0.000 0.768 517 P CB 0.450 32.154 31.700 0.008 0.000 0.838 518 S N 3.744 119.488 115.700 0.074 0.000 2.558 518 S HA 0.090 4.560 4.470 0.000 0.000 0.288 518 S C -1.254 173.369 174.600 0.038 0.000 1.318 518 S CA -0.871 57.368 58.200 0.065 0.000 1.056 518 S CB -0.329 62.924 63.200 0.087 0.000 0.853 518 S HN 0.352 nan 8.310 nan 0.000 0.505 519 P HA 0.213 nan 4.420 nan 0.000 0.255 519 P C -0.122 177.183 177.300 0.008 0.000 1.248 519 P CA 0.282 63.392 63.100 0.016 0.000 0.807 519 P CB -0.092 31.619 31.700 0.019 0.000 1.150 520 I N 0.858 121.434 120.570 0.010 0.000 2.256 520 I HA 0.275 4.445 4.170 0.000 0.000 0.294 520 I C 0.371 176.497 176.117 0.015 0.000 1.127 520 I CA -0.243 61.061 61.300 0.006 0.000 1.247 520 I CB 0.673 38.674 38.000 0.001 0.000 1.460 520 I HN -0.182 nan 8.210 nan 0.000 0.511 527 P HA 0.246 nan 4.420 nan 0.000 0.271 527 P C 0.607 177.873 177.300 -0.056 0.000 1.218 527 P CA -0.102 62.991 63.100 -0.012 0.000 0.780 527 P CB 1.114 32.829 31.700 0.024 0.000 0.901 528 E N 0.913 121.050 120.200 -0.104 0.000 2.110 528 E HA -0.158 4.192 4.350 0.000 0.000 0.193 528 E C -0.269 176.076 176.600 -0.425 0.000 0.988 528 E CA 0.999 57.218 56.400 -0.301 0.000 0.804 528 E CB 0.001 29.452 29.700 -0.415 0.000 0.745 528 E HN 0.486 nan 8.360 nan 0.000 0.458 529 Y N -0.728 119.573 120.300 0.002 0.000 2.587 529 Y HA 0.426 4.976 4.550 0.000 0.000 0.337 529 Y C -0.098 175.818 175.900 0.026 0.000 1.065 529 Y CA -0.911 57.197 58.100 0.013 0.000 1.126 529 Y CB 2.283 40.746 38.460 0.006 0.000 1.279 529 Y HN -0.240 nan 8.280 nan 0.000 0.489 530 S N -0.141 115.704 115.700 0.242 0.000 2.568 530 S HA 0.471 4.941 4.470 0.000 0.000 0.293 530 S C -1.078 173.657 174.600 0.224 0.000 1.089 530 S CA -1.006 57.304 58.200 0.184 0.000 0.945 530 S CB 1.569 64.854 63.200 0.141 0.000 1.077 530 S HN 0.496 nan 8.310 nan 0.000 0.485 531 S N 2.022 117.865 115.700 0.238 0.000 2.416 531 S HA 0.292 4.762 4.470 0.000 0.000 0.287 531 S C -0.285 174.501 174.600 0.311 0.000 1.139 531 S CA -0.459 57.949 58.200 0.347 0.000 1.058 531 S CB -0.088 63.361 63.200 0.415 0.000 0.967 531 S HN 0.550 nan 8.310 nan 0.000 0.495 532 L N 5.276 126.658 121.223 0.264 0.000 2.356 532 L HA 0.304 4.644 4.340 0.000 0.000 0.282 532 L C -0.450 176.496 176.870 0.126 0.000 1.132 532 L CA -0.634 54.324 54.840 0.196 0.000 0.923 532 L CB 0.310 42.462 42.059 0.155 0.000 1.278 532 L HN 0.509 nan 8.230 nan 0.000 0.436 533 L N 5.146 126.416 121.223 0.078 0.000 2.448 533 L HA 0.201 4.541 4.340 0.000 0.000 0.278 533 L C 1.217 178.066 176.870 -0.036 0.000 1.201 533 L CA 0.463 55.140 54.840 -0.272 0.000 1.036 533 L CB 0.530 42.451 42.059 -0.231 0.000 1.325 533 L HN 0.641 nan 8.230 nan 0.000 0.441 534 A N 2.789 125.591 122.820 -0.031 0.000 1.972 534 A HA 0.028 4.348 4.320 0.000 0.000 0.219 534 A C 1.162 178.777 177.584 0.053 0.000 1.169 534 A CA 1.215 53.289 52.037 0.061 0.000 0.635 534 A CB -0.146 18.893 19.000 0.065 0.000 0.810 534 A HN 0.668 nan 8.150 nan 0.000 0.446 535 S N -2.267 113.430 115.700 -0.004 0.000 2.626 535 S HA 0.479 4.949 4.470 0.000 0.000 0.275 535 S C -1.476 173.158 174.600 0.057 0.000 1.175 535 S CA -0.507 57.713 58.200 0.032 0.000 0.982 535 S CB 0.776 63.997 63.200 0.035 0.000 1.093 535 S HN 0.398 nan 8.310 nan 0.000 0.472 536 Y N 4.861 125.104 120.300 -0.095 0.000 2.345 536 Y HA 0.554 5.104 4.550 0.000 0.000 0.331 536 Y C -0.056 175.655 175.900 -0.315 0.000 0.959 536 Y CA -0.570 57.435 58.100 -0.158 0.000 1.204 536 Y CB 1.092 39.487 38.460 -0.108 0.000 1.135 536 Y HN 0.738 nan 8.280 nan 0.000 0.477 537 T N 2.329 116.754 114.554 -0.216 0.000 2.908 537 T HA 0.521 4.871 4.350 0.000 0.000 0.290 537 T C -1.105 173.365 174.700 -0.384 0.000 1.034 537 T CA -0.653 61.230 62.100 -0.363 0.000 1.010 537 T CB 1.615 70.455 68.868 -0.046 0.000 1.068 537 T HN 0.534 nan 8.240 nan 0.000 0.481 538 W N 1.116 122.363 121.300 -0.089 0.000 2.761 538 W HA 0.510 5.170 4.660 0.000 0.000 0.340 538 W C 0.556 177.050 176.519 -0.042 0.000 1.072 538 W CA -0.507 56.784 57.345 -0.090 0.000 1.215 538 W CB 0.952 30.320 29.460 -0.152 0.000 1.420 538 W HN 0.908 nan 8.180 nan 0.000 0.519 539 E N 0.286 120.610 120.200 0.206 0.000 3.333 539 E HA -0.303 4.047 4.350 0.000 0.000 0.342 539 E C 0.861 177.527 176.600 0.111 0.000 1.501 539 E CA 1.921 58.406 56.400 0.142 0.000 1.770 539 E CB -1.020 28.762 29.700 0.137 0.000 1.817 539 E HN 0.416 nan 8.360 nan 0.000 0.485 540 D N 1.221 121.677 120.400 0.092 0.000 2.218 540 D HA -0.087 4.553 4.640 0.000 0.000 0.204 540 D C 1.426 177.760 176.300 0.056 0.000 0.976 540 D CA 1.293 55.333 54.000 0.066 0.000 0.853 540 D CB -0.413 40.420 40.800 0.056 0.000 0.939 540 D HN 0.233 nan 8.370 nan 0.000 0.481 541 D N -0.272 120.165 120.400 0.061 0.000 2.144 541 D HA -0.122 4.518 4.640 0.000 0.000 0.199 541 D C 1.976 178.304 176.300 0.046 0.000 0.984 541 D CA 0.808 54.832 54.000 0.039 0.000 0.834 541 D CB -0.245 40.563 40.800 0.015 0.000 0.955 541 D HN 0.068 nan 8.370 nan 0.000 0.465 542 S N -0.554 115.190 115.700 0.073 0.000 2.371 542 S HA -0.115 4.355 4.470 0.000 0.000 0.224 542 S C 1.965 176.595 174.600 0.050 0.000 1.029 542 S CA 1.651 59.917 58.200 0.110 0.000 0.978 542 S CB -0.331 62.965 63.200 0.161 0.000 0.833 542 S HN 0.178 nan 8.310 nan 0.000 0.466 543 T N 2.291 116.870 114.554 0.041 0.000 2.720 543 T HA -0.098 4.252 4.350 0.000 0.000 0.268 543 T C 1.889 176.582 174.700 -0.011 0.000 1.037 543 T CA 1.515 63.621 62.100 0.009 0.000 1.144 543 T CB -0.316 68.568 68.868 0.026 0.000 0.864 543 T HN 0.448 nan 8.240 nan 0.000 0.444 544 R N 0.463 120.969 120.500 0.010 0.000 2.120 544 R HA 0.087 4.427 4.340 0.000 0.000 0.234 544 R C 2.285 178.583 176.300 -0.003 0.000 1.123 544 R CA 0.902 57.021 56.100 0.033 0.000 0.975 544 R CB -0.381 29.939 30.300 0.033 0.000 0.866 544 R HN 0.383 nan 8.270 nan 0.000 0.446 545 L N -0.379 120.767 121.223 -0.127 0.000 2.341 545 L HA 0.028 4.368 4.340 0.000 0.000 0.214 545 L C 2.532 178.915 176.870 -0.811 0.000 1.115 545 L CA 0.511 55.155 54.840 -0.327 0.000 0.820 545 L CB -0.269 41.730 42.059 -0.101 0.000 0.944 545 L HN 0.124 nan 8.230 nan 0.000 0.452 546 R N 0.520 120.582 120.500 -0.729 0.000 2.096 546 R HA -0.216 4.124 4.340 0.000 0.000 0.235 546 R C 2.424 178.373 176.300 -0.585 0.000 1.127 546 R CA 1.909 57.398 56.100 -1.018 0.000 0.968 546 R CB -0.269 29.818 30.300 -0.355 0.000 0.861 546 R HN 0.599 nan 8.270 nan 0.000 0.440 547 H N -1.439 117.464 119.070 -0.279 0.000 2.489 547 H HA -0.040 4.516 4.556 0.000 0.000 0.295 547 H C 0.849 176.145 175.328 -0.053 0.000 1.082 547 H CA 1.515 57.502 56.048 -0.101 0.000 1.295 547 H CB -0.140 29.572 29.762 -0.083 0.000 1.380 547 H HN 0.185 nan 8.280 nan 0.000 0.548 548 D N -0.209 119.845 120.400 -0.576 0.000 2.339 548 D HA 0.027 4.667 4.640 0.000 0.000 0.217 548 D C 1.111 177.403 176.300 -0.014 0.000 1.050 548 D CA 0.131 53.968 54.000 -0.273 0.000 0.856 548 D CB -0.169 40.430 40.800 -0.335 0.000 0.922 548 D HN 0.515 nan 8.370 nan 0.000 0.518 549 F N 0.289 120.135 119.950 -0.174 0.000 2.367 549 F HA 0.039 4.566 4.527 0.000 0.000 0.298 549 F C 2.286 177.809 175.800 -0.462 0.000 1.094 549 F CA 0.255 58.044 58.000 -0.353 0.000 1.409 549 F CB 0.311 39.016 39.000 -0.492 0.000 1.064 549 F HN 0.108 nan 8.300 nan 0.000 0.528 550 G N 1.276 109.953 108.800 -0.204 0.000 3.909 550 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 550 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 550 G C 0.065 174.825 174.900 -0.233 0.000 1.404 550 G CA 0.225 45.244 45.100 -0.135 0.000 0.905 550 G HN 0.174 nan 8.290 nan 0.000 0.589 551 L N -0.182 120.767 121.223 -0.456 0.000 2.381 551 L HA 0.787 5.127 4.340 0.000 0.000 0.268 551 L C -0.998 175.506 176.870 -0.609 0.000 0.997 551 L CA -1.234 53.407 54.840 -0.332 0.000 0.818 551 L CB 2.099 44.048 42.059 -0.182 0.000 1.310 551 L HN 0.265 nan 8.230 nan 0.000 0.416 552 Y N 1.115 121.356 120.300 -0.098 0.000 2.421 552 Y HA 0.369 4.919 4.550 -0.000 0.000 0.339 552 Y C -1.637 174.156 175.900 -0.179 0.000 0.996 552 Y CA -1.293 56.717 58.100 -0.149 0.000 1.046 552 Y CB 1.434 39.844 38.460 -0.084 0.000 1.226 552 Y HN 0.424 nan 8.280 nan 0.000 0.445 553 P HA -0.028 nan 4.420 nan 0.000 0.235 553 P C -0.390 176.441 177.300 -0.781 0.000 1.177 553 P CA 0.636 63.430 63.100 -0.510 0.000 0.785 553 P CB 1.054 32.300 31.700 -0.755 0.000 0.885 554 Q N 0.539 120.053 119.800 -0.476 0.000 2.340 554 Q HA 0.398 4.738 4.340 0.000 0.000 0.268 554 Q C -1.264 174.517 176.000 -0.366 0.000 1.031 554 Q CA -0.698 54.846 55.803 -0.431 0.000 0.804 554 Q CB 1.307 29.985 28.738 -0.100 0.000 1.286 554 Q HN -0.197 nan 8.270 nan 0.000 0.448 555 N N 4.898 123.318 118.700 -0.465 0.000 2.442 555 N HA 0.456 5.196 4.740 0.000 0.000 0.274 555 N C -2.775 172.570 175.510 -0.275 0.000 1.002 555 N CA -1.826 51.035 53.050 -0.314 0.000 0.910 555 N CB 1.862 40.166 38.487 -0.304 0.000 1.244 555 N HN 0.363 nan 8.380 nan 0.000 0.492 556 P HA 0.159 nan 4.420 nan 0.000 0.277 556 P C -0.185 177.080 177.300 -0.057 0.000 1.240 556 P CA -0.231 62.833 63.100 -0.060 0.000 0.798 556 P CB 1.222 32.925 31.700 0.005 0.000 0.979 557 A N 1.931 124.721 122.820 -0.049 0.000 2.123 557 A HA 0.100 4.420 4.320 0.000 0.000 0.214 557 A C 1.144 178.732 177.584 0.006 0.000 1.152 557 A CA 1.183 53.204 52.037 -0.028 0.000 0.728 557 A CB -0.920 18.062 19.000 -0.030 0.000 0.814 557 A HN 0.688 nan 8.150 nan 0.000 0.464 558 T N -4.126 110.433 114.554 0.009 0.000 2.949 558 T HA 0.463 4.813 4.350 0.000 0.000 0.287 558 T C 0.421 175.137 174.700 0.027 0.000 1.034 558 T CA -0.353 61.758 62.100 0.017 0.000 1.018 558 T CB 1.355 70.228 68.868 0.008 0.000 1.135 558 T HN 0.231 nan 8.240 nan 0.000 0.532 559 E N 0.103 120.318 120.200 0.025 0.000 2.274 559 E HA -0.052 4.298 4.350 0.000 0.000 0.194 559 E C 1.745 178.336 176.600 -0.016 0.000 0.996 559 E CA 1.401 57.815 56.400 0.022 0.000 0.840 559 E CB -0.042 29.682 29.700 0.040 0.000 0.772 559 E HN 0.891 nan 8.360 nan 0.000 0.491 560 T N -2.477 112.068 114.554 -0.015 0.000 3.022 560 T HA 0.177 4.527 4.350 0.000 0.000 0.250 560 T C 1.008 175.690 174.700 -0.031 0.000 1.060 560 T CA 0.049 62.128 62.100 -0.036 0.000 1.013 560 T CB 0.534 69.388 68.868 -0.023 0.000 0.982 560 T HN 0.039 nan 8.240 nan 0.000 0.508 561 G N 0.415 109.206 108.800 -0.015 0.000 2.588 561 G HA2 0.486 4.446 3.960 0.000 0.000 0.281 561 G HA3 0.486 4.446 3.960 0.000 0.000 0.281 561 G C -0.929 173.965 174.900 -0.009 0.000 1.236 561 G CA -0.308 44.784 45.100 -0.013 0.000 0.969 561 G HN 0.349 nan 8.290 nan 0.000 0.504 562 T N -1.745 112.803 114.554 -0.010 0.000 2.952 562 T HA 0.510 4.860 4.350 0.000 0.000 0.305 562 T C 0.083 174.779 174.700 -0.006 0.000 1.064 562 T CA 0.182 62.279 62.100 -0.004 0.000 1.008 562 T CB 1.281 70.135 68.868 -0.022 0.000 1.078 562 T HN 0.980 nan 8.240 nan 0.000 0.459 563 A N 3.572 126.393 122.820 0.003 0.000 3.135 563 A HA 0.276 4.596 4.320 0.000 0.000 0.253 563 A C 1.246 178.851 177.584 0.035 0.000 1.638 563 A CA -0.056 51.978 52.037 -0.005 0.000 1.295 563 A CB -0.838 18.143 19.000 -0.032 0.000 1.106 563 A HN 0.926 nan 8.150 nan 0.000 0.648 564 D N 1.230 121.645 120.400 0.025 0.000 2.097 564 D HA -0.098 4.542 4.640 0.000 0.000 0.195 564 D C 2.045 178.393 176.300 0.079 0.000 0.989 564 D CA 2.112 56.141 54.000 0.049 0.000 0.827 564 D CB -0.148 40.664 40.800 0.020 0.000 0.966 564 D HN 0.369 nan 8.370 nan 0.000 0.456 565 G N 0.666 109.493 108.800 0.044 0.000 2.446 565 G HA2 -0.287 3.673 3.960 0.000 0.000 0.217 565 G HA3 -0.287 3.673 3.960 0.000 0.000 0.217 565 G C 1.570 176.498 174.900 0.046 0.000 1.168 565 G CA 1.103 46.225 45.100 0.038 0.000 0.771 565 G HN 0.255 nan 8.290 nan 0.000 0.551 566 M N -0.281 119.347 119.600 0.047 0.000 2.080 566 M HA -0.121 4.359 4.480 0.000 0.000 0.260 566 M C 2.383 178.731 176.300 0.080 0.000 1.068 566 M CA 1.649 56.981 55.300 0.054 0.000 1.109 566 M CB -0.835 31.785 32.600 0.033 0.000 1.342 566 M HN 0.335 nan 8.290 nan 0.000 0.405 567 Y N 1.053 121.344 120.300 -0.016 0.000 2.274 567 Y HA -0.164 4.386 4.550 0.000 0.000 0.290 567 Y C 2.302 178.192 175.900 -0.017 0.000 1.145 567 Y CA 1.916 60.005 58.100 -0.017 0.000 1.203 567 Y CB -0.271 38.178 38.460 -0.019 0.000 0.984 567 Y HN 0.290 nan 8.280 nan 0.000 0.533 568 R N -0.737 119.805 120.500 0.071 0.000 2.120 568 R HA -0.141 4.199 4.340 0.000 0.000 0.234 568 R C 2.328 178.599 176.300 -0.049 0.000 1.123 568 R CA 1.742 57.842 56.100 -0.001 0.000 0.975 568 R CB -0.660 29.662 30.300 0.036 0.000 0.866 568 R HN 0.513 nan 8.270 nan 0.000 0.446 569 T N -1.429 113.103 114.554 -0.036 0.000 2.915 569 T HA -0.066 4.284 4.350 0.000 0.000 0.269 569 T C 1.843 176.505 174.700 -0.063 0.000 1.071 569 T CA 0.812 62.892 62.100 -0.033 0.000 1.132 569 T CB 0.055 68.907 68.868 -0.026 0.000 0.878 569 T HN -0.026 nan 8.240 nan 0.000 0.479 570 M N 0.897 120.411 119.600 -0.144 0.000 2.248 570 M HA 0.162 4.642 4.480 0.000 0.000 0.265 570 M C 2.527 178.700 176.300 -0.211 0.000 1.079 570 M CA 0.690 55.878 55.300 -0.187 0.000 1.150 570 M CB -1.282 31.137 32.600 -0.302 0.000 1.366 570 M HN 0.187 nan 8.290 nan 0.000 0.433 571 V N 1.415 121.138 119.914 -0.318 0.000 2.332 571 V HA -0.279 3.841 4.120 0.000 0.000 0.248 571 V C 2.209 178.358 176.094 0.093 0.000 1.055 571 V CA 2.135 64.333 62.300 -0.170 0.000 1.038 571 V CB -1.211 30.492 31.823 -0.200 0.000 0.651 571 V HN 0.471 nan 8.190 nan 0.000 0.450 572 N N 0.123 118.857 118.700 0.056 0.000 2.244 572 N HA -0.148 4.592 4.740 0.000 0.000 0.183 572 N C 1.939 177.520 175.510 0.117 0.000 1.016 572 N CA 1.264 54.375 53.050 0.100 0.000 0.866 572 N CB -0.176 38.335 38.487 0.040 0.000 0.980 572 N HN 0.396 nan 8.380 nan 0.000 0.430 573 R N -0.477 120.069 120.500 0.077 0.000 2.120 573 R HA 0.035 4.375 4.340 0.000 0.000 0.234 573 R C 1.799 178.190 176.300 0.152 0.000 1.123 573 R CA 1.199 57.350 56.100 0.085 0.000 0.975 573 R CB -0.218 30.115 30.300 0.055 0.000 0.866 573 R HN 0.215 nan 8.270 nan 0.000 0.446 574 A N -0.029 122.919 122.820 0.213 0.000 2.206 574 A HA -0.107 4.213 4.320 0.000 0.000 0.211 574 A C 0.467 178.253 177.584 0.337 0.000 1.158 574 A CA 0.149 52.417 52.037 0.385 0.000 0.761 574 A CB -0.216 18.916 19.000 0.219 0.000 0.801 574 A HN 0.337 nan 8.150 nan 0.000 0.473 575 Y N 1.919 122.231 120.300 0.020 0.000 2.570 575 Y HA 0.429 4.979 4.550 -0.000 0.000 0.336 575 Y C 0.112 175.914 175.900 -0.164 0.000 1.284 575 Y CA -0.503 57.419 58.100 -0.296 0.000 1.761 575 Y CB -0.612 37.576 38.460 -0.453 0.000 1.724 575 Y HN 0.217 nan 8.280 nan 0.000 0.455 576 R N 2.889 123.168 120.500 -0.369 0.000 2.673 576 R HA 0.307 4.647 4.340 0.000 0.000 0.281 576 R C -1.761 174.301 176.300 -0.396 0.000 0.991 576 R CA -1.026 54.891 56.100 -0.304 0.000 0.896 576 R CB 1.573 31.731 30.300 -0.236 0.000 1.201 576 R HN 0.323 nan 8.270 nan 0.000 0.457 577 Y N 1.238 121.355 120.300 -0.305 0.000 2.436 577 Y HA 0.221 4.771 4.550 0.000 0.000 0.343 577 Y C 0.066 175.825 175.900 -0.235 0.000 1.008 577 Y CA -0.129 57.834 58.100 -0.229 0.000 1.241 577 Y CB 1.084 39.429 38.460 -0.192 0.000 1.153 577 Y HN 0.180 nan 8.280 nan 0.000 0.521 578 V N 4.961 124.779 119.914 -0.161 0.000 2.384 578 V HA 0.302 4.422 4.120 0.000 0.000 0.287 578 V C -0.308 175.642 176.094 -0.240 0.000 1.020 578 V CA -1.240 60.874 62.300 -0.309 0.000 0.850 578 V CB 1.588 33.110 31.823 -0.501 0.000 0.987 578 V HN 0.462 nan 8.190 nan 0.000 0.436 579 K N 4.730 124.969 120.400 -0.269 0.000 2.227 579 K HA 0.442 4.762 4.320 0.000 0.000 0.280 579 K C -1.381 175.029 176.600 -0.316 0.000 1.041 579 K CA -0.037 56.153 56.287 -0.162 0.000 0.905 579 K CB 0.413 32.864 32.500 -0.082 0.000 1.068 579 K HN 0.483 nan 8.250 nan 0.000 0.470 580 Y N 1.918 122.269 120.300 0.084 0.000 2.387 580 Y HA 0.506 5.056 4.550 0.000 0.000 0.330 580 Y C 0.522 176.473 175.900 0.086 0.000 1.133 580 Y CA -0.955 57.206 58.100 0.101 0.000 1.152 580 Y CB 1.729 40.266 38.460 0.128 0.000 1.215 580 Y HN 0.704 nan 8.280 nan 0.000 0.466 581 A N 1.440 124.395 122.820 0.224 0.000 2.520 581 A HA 0.421 4.741 4.320 0.000 0.000 0.245 581 A C 1.352 179.024 177.584 0.146 0.000 1.072 581 A CA 0.809 52.938 52.037 0.152 0.000 0.761 581 A CB -0.968 18.118 19.000 0.144 0.000 1.004 581 A HN 1.495 nan 8.150 nan 0.000 0.499 582 G N 0.825 109.690 108.800 0.108 0.000 2.241 582 G HA2 0.121 4.081 3.960 0.000 0.000 0.244 582 G HA3 0.121 4.081 3.960 0.000 0.000 0.244 582 G C 0.641 175.596 174.900 0.091 0.000 0.998 582 G CA 0.460 45.614 45.100 0.091 0.000 0.621 582 G HN 2.200 nan 8.290 nan 0.000 0.519 583 A N 0.441 123.332 122.820 0.118 0.000 2.340 583 A HA 0.777 5.097 4.320 0.000 0.000 0.268 583 A C 1.524 179.163 177.584 0.091 0.000 1.100 583 A CA 1.124 53.231 52.037 0.118 0.000 0.803 583 A CB 0.715 19.820 19.000 0.175 0.000 1.043 583 A HN 0.852 nan 8.150 nan 0.000 0.488 584 S N 1.321 117.068 115.700 0.078 0.000 2.368 584 S HA -0.025 4.445 4.470 0.000 0.000 0.224 584 S C 0.768 175.404 174.600 0.059 0.000 1.029 584 S CA 0.914 59.150 58.200 0.060 0.000 0.988 584 S CB -0.191 63.041 63.200 0.052 0.000 0.838 584 S HN 0.785 nan 8.310 nan 0.000 0.462 585 N N -0.211 118.535 118.700 0.078 0.000 2.242 585 N HA 0.525 5.265 4.740 0.000 0.000 0.292 585 N C -0.900 174.682 175.510 0.120 0.000 1.125 585 N CA -0.368 52.730 53.050 0.079 0.000 0.783 585 N CB 1.904 40.435 38.487 0.074 0.000 1.558 585 N HN 0.212 nan 8.380 nan 0.000 0.472 586 A N 1.203 124.094 122.820 0.119 0.000 2.520 586 A HA 0.206 4.526 4.320 0.000 0.000 0.235 586 A C -0.076 177.687 177.584 0.299 0.000 1.065 586 A CA 0.397 52.544 52.037 0.184 0.000 0.764 586 A CB 0.192 19.283 19.000 0.150 0.000 1.002 586 A HN 0.489 nan 8.150 nan 0.000 0.502 587 Q N 0.272 120.189 119.800 0.196 0.000 2.484 587 Q HA 0.533 4.873 4.340 0.000 0.000 0.285 587 Q C -2.796 172.975 176.000 -0.381 0.000 1.097 587 Q CA -2.331 53.484 55.803 0.019 0.000 0.802 587 Q CB 0.298 29.086 28.738 0.083 0.000 1.444 587 Q HN 0.415 nan 8.270 nan 0.000 0.429 588 P HA -0.066 nan 4.420 nan 0.000 0.266 588 P C -0.516 176.698 177.300 -0.144 0.000 1.195 588 P CA -0.152 62.494 63.100 -0.756 0.000 0.768 588 P CB 0.357 31.617 31.700 -0.734 0.000 0.838 589 W N 5.791 126.918 121.300 -0.289 0.000 2.343 589 W HA -0.058 4.602 4.660 0.000 0.000 0.337 589 W C 1.307 177.839 176.519 0.022 0.000 1.320 589 W CA -0.771 56.536 57.345 -0.063 0.000 1.290 589 W CB -0.229 29.153 29.460 -0.131 0.000 1.206 589 W HN 0.595 nan 8.180 nan 0.000 0.565 590 W N 5.510 126.966 121.300 0.261 0.000 2.364 590 W HA -0.265 4.395 4.660 -0.000 0.000 0.281 590 W C 1.370 177.836 176.519 -0.087 0.000 1.219 590 W CA 0.987 58.376 57.345 0.075 0.000 1.220 590 W CB -1.685 27.917 29.460 0.237 0.000 1.127 590 W HN 0.430 nan 8.180 nan 0.000 0.556 591 F N 1.680 120.592 119.950 -1.729 0.000 2.293 591 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 591 F C 2.619 177.937 175.800 -0.802 0.000 1.086 591 F CA 1.107 58.046 58.000 -1.768 0.000 1.375 591 F CB -1.134 36.227 39.000 -2.730 0.000 1.045 591 F HN -0.058 nan 8.300 nan 0.000 0.516 592 Y N 1.112 121.046 120.300 -0.611 0.000 2.128 592 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 592 Y C 2.340 178.023 175.900 -0.363 0.000 1.154 592 Y CA 2.296 60.179 58.100 -0.362 0.000 1.149 592 Y CB -0.772 37.640 38.460 -0.081 0.000 0.976 592 Y HN 0.196 nan 8.280 nan 0.000 0.505 593 Q N -0.414 119.090 119.800 -0.494 0.000 2.084 593 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 593 Q C 2.219 177.957 176.000 -0.437 0.000 0.978 593 Q CA 1.729 57.100 55.803 -0.720 0.000 0.844 593 Q CB -0.382 27.580 28.738 -1.292 0.000 0.898 593 Q HN 0.512 nan 8.270 nan 0.000 0.426 594 L N 0.657 121.776 121.223 -0.173 0.000 2.017 594 L HA -0.157 4.183 4.340 0.000 0.000 0.208 594 L C 1.968 178.711 176.870 -0.211 0.000 1.073 594 L CA 1.584 56.468 54.840 0.073 0.000 0.745 594 L CB -0.463 41.692 42.059 0.161 0.000 0.894 594 L HN 0.206 nan 8.230 nan 0.000 0.432 595 L N -0.650 120.246 121.223 -0.545 0.000 2.079 595 L HA -0.206 4.134 4.340 0.000 0.000 0.210 595 L C 2.553 179.347 176.870 -0.128 0.000 1.081 595 L CA 1.234 55.849 54.840 -0.375 0.000 0.752 595 L CB -0.931 40.780 42.059 -0.580 0.000 0.896 595 L HN 0.379 nan 8.230 nan 0.000 0.433 596 A N -0.882 121.776 122.820 -0.271 0.000 2.119 596 A HA -0.127 4.193 4.320 0.000 0.000 0.217 596 A C 2.092 179.634 177.584 -0.070 0.000 1.153 596 A CA 0.969 52.888 52.037 -0.197 0.000 0.692 596 A CB -0.231 18.512 19.000 -0.428 0.000 0.799 596 A HN 0.303 nan 8.150 nan 0.000 0.458 597 E N 0.387 120.575 120.200 -0.021 0.000 2.347 597 E HA 0.077 4.427 4.350 0.000 0.000 0.196 597 E C 1.081 177.711 176.600 0.049 0.000 1.008 597 E CA 0.609 57.044 56.400 0.057 0.000 0.852 597 E CB -0.501 29.294 29.700 0.157 0.000 0.783 597 E HN 0.583 nan 8.360 nan 0.000 0.505 598 A N 2.387 125.228 122.820 0.036 0.000 2.520 598 A HA 0.063 4.383 4.320 0.000 0.000 0.235 598 A C 0.655 178.216 177.584 -0.038 0.000 1.065 598 A CA -0.099 51.934 52.037 -0.006 0.000 0.764 598 A CB -0.013 18.930 19.000 -0.095 0.000 1.002 598 A HN 0.227 nan 8.150 nan 0.000 0.502 599 R N 1.287 121.769 120.500 -0.030 0.000 2.738 599 R HA 0.255 4.595 4.340 0.000 0.000 0.268 599 R C 0.549 176.793 176.300 -0.092 0.000 1.062 599 R CA 0.315 56.393 56.100 -0.037 0.000 1.158 599 R CB -0.196 30.096 30.300 -0.013 0.000 1.046 599 R HN 0.526 nan 8.270 nan 0.000 0.493 600 T N 0.949 115.464 114.554 -0.065 0.000 2.737 600 T HA -0.037 4.313 4.350 0.000 0.000 0.265 600 T C 0.965 175.616 174.700 -0.082 0.000 1.038 600 T CA 1.375 63.433 62.100 -0.071 0.000 1.144 600 T CB -0.189 68.657 68.868 -0.037 0.000 0.866 600 T HN 0.756 nan 8.240 nan 0.000 0.434 601 A N 1.518 124.295 122.820 -0.072 0.000 2.425 601 A HA 0.352 4.672 4.320 0.000 0.000 0.242 601 A C 0.568 178.103 177.584 -0.081 0.000 1.077 601 A CA -0.187 51.805 52.037 -0.074 0.000 0.781 601 A CB -0.127 18.823 19.000 -0.084 0.000 1.020 601 A HN 0.561 nan 8.150 nan 0.000 0.494 602 D N -0.736 119.633 120.400 -0.053 0.000 3.068 602 D HA -0.132 4.508 4.640 0.000 0.000 0.218 602 D C -0.043 176.305 176.300 0.080 0.000 1.145 602 D CA 1.253 55.253 54.000 0.000 0.000 0.896 602 D CB -1.255 39.504 40.800 -0.069 0.000 1.105 602 D HN 0.756 nan 8.370 nan 0.000 0.423 603 R N -0.178 120.314 120.500 -0.014 0.000 2.543 603 R HA 0.569 4.909 4.340 0.000 0.000 0.277 603 R C 0.133 176.524 176.300 0.152 0.000 1.074 603 R CA 0.129 56.197 56.100 -0.054 0.000 1.076 603 R CB 0.613 30.788 30.300 -0.208 0.000 0.993 603 R HN 0.160 nan 8.270 nan 0.000 0.459 604 F N 1.985 121.928 119.950 -0.012 0.000 2.641 604 F HA 0.506 5.033 4.527 0.000 0.000 0.308 604 F C -1.668 174.122 175.800 -0.015 0.000 1.105 604 F CA -0.917 57.097 58.000 0.024 0.000 0.964 604 F CB 1.617 40.692 39.000 0.126 0.000 1.294 604 F HN 0.251 nan 8.300 nan 0.000 0.442 605 V N 6.276 125.851 119.914 -0.565 0.000 2.841 605 V HA 0.637 4.757 4.120 0.000 0.000 0.310 605 V C -2.185 173.346 176.094 -0.938 0.000 1.090 605 V CA -0.661 61.273 62.300 -0.609 0.000 0.930 605 V CB 2.081 33.452 31.823 -0.753 0.000 1.014 605 V HN 0.704 nan 8.190 nan 0.000 0.425 606 F N 4.622 124.170 119.950 -0.670 0.000 2.493 606 F HA 0.641 5.168 4.527 0.000 0.000 0.329 606 F C -0.540 174.980 175.800 -0.467 0.000 1.126 606 F CA -0.509 57.142 58.000 -0.582 0.000 0.937 606 F CB 1.747 40.519 39.000 -0.381 0.000 1.146 606 F HN 0.608 nan 8.300 nan 0.000 0.442 607 D N 4.883 124.711 120.400 -0.953 0.000 2.454 607 D HA 0.152 4.792 4.640 0.000 0.000 0.225 607 D C 0.237 176.266 176.300 -0.452 0.000 1.081 607 D CA -0.286 53.459 54.000 -0.425 0.000 0.864 607 D CB 0.466 41.217 40.800 -0.081 0.000 1.040 607 D HN 0.562 nan 8.370 nan 0.000 0.517 608 W N 1.973 123.309 121.300 0.060 0.000 2.392 608 W HA -0.122 4.538 4.660 0.000 0.000 0.279 608 W C 2.176 178.728 176.519 0.055 0.000 1.225 608 W CA 0.817 58.258 57.345 0.160 0.000 1.233 608 W CB -0.236 29.362 29.460 0.230 0.000 1.122 608 W HN 0.375 nan 8.180 nan 0.000 0.561 609 T N -1.161 113.512 114.554 0.198 0.000 2.788 609 T HA -0.191 4.159 4.350 0.000 0.000 0.268 609 T C 1.633 176.367 174.700 0.057 0.000 1.044 609 T CA 1.965 64.135 62.100 0.117 0.000 1.139 609 T CB -0.716 68.219 68.868 0.112 0.000 0.867 609 T HN 0.259 nan 8.240 nan 0.000 0.454 610 T N -0.907 113.655 114.554 0.013 0.000 3.086 610 T HA 0.214 4.564 4.350 0.000 0.000 0.250 610 T C 0.573 175.245 174.700 -0.048 0.000 1.074 610 T CA -0.497 61.592 62.100 -0.018 0.000 0.988 610 T CB -0.292 68.587 68.868 0.018 0.000 0.988 610 T HN 0.205 nan 8.240 nan 0.000 0.530 611 N N 1.306 119.980 118.700 -0.044 0.000 2.354 611 N HA 0.180 4.920 4.740 0.000 0.000 0.246 611 N C 0.989 176.563 175.510 0.106 0.000 1.285 611 N CA -0.263 52.821 53.050 0.057 0.000 0.925 611 N CB 0.678 39.301 38.487 0.227 0.000 1.174 611 N HN 0.038 nan 8.380 nan 0.000 0.478 612 K N -0.746 119.729 120.400 0.124 0.000 2.439 612 K HA -0.072 4.248 4.320 0.000 0.000 0.197 612 K C 1.271 177.924 176.600 0.089 0.000 1.041 612 K CA 1.237 57.578 56.287 0.091 0.000 0.970 612 K CB -0.167 32.386 32.500 0.087 0.000 0.773 612 K HN 0.747 nan 8.250 nan 0.000 0.479 613 T N -1.485 113.155 114.554 0.142 0.000 3.007 613 T HA 0.008 4.358 4.350 0.000 0.000 0.270 613 T C 1.103 175.811 174.700 0.014 0.000 1.107 613 T CA 0.555 62.707 62.100 0.087 0.000 1.118 613 T CB -0.281 68.691 68.868 0.173 0.000 0.889 613 T HN 0.200 nan 8.240 nan 0.000 0.506 614 A N 0.187 123.036 122.820 0.048 0.000 2.846 614 A HA 0.321 4.641 4.320 0.000 0.000 0.287 614 A C 1.048 178.625 177.584 -0.013 0.000 1.469 614 A CA 0.744 52.785 52.037 0.007 0.000 0.757 614 A CB -1.871 17.112 19.000 -0.029 0.000 1.033 614 A HN 2.250 nan 8.150 nan 0.000 0.516 615 G N -3.045 105.794 108.800 0.064 0.000 2.343 615 G HA2 0.488 4.448 3.960 0.000 0.000 0.465 615 G HA3 0.488 4.448 3.960 0.000 0.000 0.465 615 G C 0.897 175.835 174.900 0.063 0.000 1.282 615 G CA 0.736 45.861 45.100 0.040 0.000 0.996 615 G HN 1.800 nan 8.290 nan 0.000 0.521 616 G N -1.052 107.682 108.800 -0.110 0.000 2.437 616 G HA2 0.621 4.581 3.960 0.000 0.000 0.212 616 G HA3 0.621 4.581 3.960 0.000 0.000 0.212 616 G C 0.411 175.203 174.900 -0.180 0.000 1.174 616 G CA 1.678 46.633 45.100 -0.243 0.000 0.811 616 G HN 1.869 nan 8.290 nan 0.000 0.537 617 F N -2.522 117.334 119.950 -0.156 0.000 2.765 617 F HA 0.509 5.036 4.527 0.000 0.000 0.313 617 F C -0.756 174.970 175.800 -0.123 0.000 1.136 617 F CA -1.974 55.917 58.000 -0.181 0.000 0.952 617 F CB 0.848 39.694 39.000 -0.257 0.000 1.268 617 F HN -0.045 nan 8.300 nan 0.000 0.441 618 K N 2.289 122.789 120.400 0.167 0.000 2.350 618 K HA 0.618 4.938 4.320 0.000 0.000 0.279 618 K C -1.565 175.138 176.600 0.171 0.000 1.027 618 K CA -0.229 56.142 56.287 0.139 0.000 0.969 618 K CB 0.521 33.076 32.500 0.092 0.000 0.954 618 K HN 0.787 nan 8.250 nan 0.000 0.474 619 L N 3.771 125.099 121.223 0.175 0.000 2.409 619 L HA 0.278 4.618 4.340 0.000 0.000 0.272 619 L C -1.012 175.970 176.870 0.187 0.000 0.980 619 L CA -1.143 53.801 54.840 0.173 0.000 0.826 619 L CB 2.079 44.217 42.059 0.132 0.000 1.268 619 L HN 0.662 nan 8.230 nan 0.000 0.407 620 D N 3.643 124.117 120.400 0.122 0.000 2.308 620 D HA 0.351 4.991 4.640 0.000 0.000 0.251 620 D C 0.252 176.583 176.300 0.052 0.000 1.127 620 D CA -0.139 53.922 54.000 0.102 0.000 0.876 620 D CB 1.161 42.034 40.800 0.121 0.000 1.176 620 D HN 0.175 nan 8.370 nan 0.000 0.446 621 M N 0.575 120.179 119.600 0.007 0.000 2.114 621 M HA 0.134 4.614 4.480 0.000 0.000 0.293 621 M C 0.978 177.291 176.300 0.021 0.000 1.201 621 M CA -0.412 54.868 55.300 -0.033 0.000 1.107 621 M CB -0.176 32.367 32.600 -0.095 0.000 1.405 621 M HN 0.342 nan 8.290 nan 0.000 0.486 622 T N -1.337 113.224 114.554 0.013 0.000 2.933 622 T HA 0.335 4.685 4.350 0.000 0.000 0.306 622 T C 1.177 175.916 174.700 0.065 0.000 1.045 622 T CA 0.343 62.463 62.100 0.034 0.000 1.143 622 T CB 0.199 69.077 68.868 0.017 0.000 1.003 622 T HN 1.001 nan 8.240 nan 0.000 0.540 623 G N 2.734 111.603 108.800 0.115 0.000 2.234 623 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 623 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 623 G C 0.617 175.689 174.900 0.286 0.000 0.987 623 G CA 0.333 45.557 45.100 0.207 0.000 0.625 623 G HN 0.717 nan 8.290 nan 0.000 0.532 624 D N -0.408 120.096 120.400 0.173 0.000 2.347 624 D HA 0.103 4.743 4.640 0.000 0.000 0.215 624 D C 1.675 178.051 176.300 0.128 0.000 0.976 624 D CA 0.984 55.069 54.000 0.142 0.000 0.884 624 D CB -0.271 40.585 40.800 0.093 0.000 0.915 624 D HN 0.647 nan 8.370 nan 0.000 0.526 625 H N 0.540 119.623 119.070 0.021 0.000 2.319 625 H HA -0.168 4.388 4.556 0.000 0.000 0.297 625 H C 1.446 176.726 175.328 -0.080 0.000 1.097 625 H CA 2.078 58.084 56.048 -0.071 0.000 1.285 625 H CB -0.125 29.462 29.762 -0.292 0.000 1.368 625 H HN 0.270 nan 8.280 nan 0.000 0.495 626 H N -1.027 118.069 119.070 0.042 0.000 2.491 626 H HA -0.047 4.510 4.556 0.000 0.000 0.290 626 H C 2.153 177.478 175.328 -0.005 0.000 1.050 626 H CA 1.247 57.303 56.048 0.013 0.000 1.309 626 H CB 0.125 29.932 29.762 0.074 0.000 1.392 626 H HN 0.421 nan 8.280 nan 0.000 0.554 627 Q N -0.016 119.853 119.800 0.115 0.000 2.033 627 Q HA -0.073 4.267 4.340 0.000 0.000 0.196 627 Q C 2.641 178.662 176.000 0.036 0.000 0.970 627 Q CA 1.571 57.417 55.803 0.071 0.000 0.828 627 Q CB -0.036 28.736 28.738 0.058 0.000 0.895 627 Q HN 0.523 nan 8.270 nan 0.000 0.440 628 S N 0.374 116.076 115.700 0.002 0.000 2.383 628 S HA -0.153 4.317 4.470 0.000 0.000 0.227 628 S C 1.781 176.359 174.600 -0.037 0.000 1.026 628 S CA 1.304 59.489 58.200 -0.025 0.000 0.981 628 S CB -0.515 62.656 63.200 -0.049 0.000 0.818 628 S HN 0.391 nan 8.310 nan 0.000 0.472 629 N N 0.980 119.655 118.700 -0.042 0.000 2.244 629 N HA -0.081 4.659 4.740 0.000 0.000 0.183 629 N C 1.815 177.439 175.510 0.190 0.000 1.016 629 N CA 1.166 54.282 53.050 0.110 0.000 0.866 629 N CB -0.269 38.105 38.487 -0.188 0.000 0.980 629 N HN 0.402 nan 8.380 nan 0.000 0.430 630 L N 1.407 122.704 121.223 0.123 0.000 2.046 630 L HA -0.148 4.192 4.340 0.000 0.000 0.208 630 L C 2.474 179.467 176.870 0.205 0.000 1.077 630 L CA 1.585 56.519 54.840 0.157 0.000 0.747 630 L CB -0.897 41.236 42.059 0.123 0.000 0.896 630 L HN 0.221 nan 8.230 nan 0.000 0.432 631 C N -1.018 118.392 119.300 0.183 0.000 2.429 631 C HA -0.158 4.302 4.460 0.000 0.000 0.277 631 C C 2.564 177.758 174.990 0.339 0.000 1.262 631 C CA 0.675 59.822 59.018 0.214 0.000 1.733 631 C CB -1.401 26.481 27.740 0.236 0.000 2.010 631 C HN 0.684 nan 8.230 nan 0.000 0.483 632 F N 2.004 122.040 119.950 0.143 0.000 2.161 632 F HA -0.123 4.404 4.527 0.000 0.000 0.300 632 F C 2.392 178.404 175.800 0.353 0.000 1.089 632 F CA 1.558 59.664 58.000 0.176 0.000 1.282 632 F CB -0.326 38.678 39.000 0.007 0.000 1.010 632 F HN 0.141 nan 8.300 nan 0.000 0.485 633 R N -1.606 119.040 120.500 0.243 0.000 2.317 633 R HA -0.062 4.278 4.340 0.000 0.000 0.208 633 R C 1.774 178.075 176.300 0.003 0.000 0.914 633 R CA 0.370 56.498 56.100 0.047 0.000 1.060 633 R CB -0.581 29.775 30.300 0.093 0.000 1.015 633 R HN 0.416 nan 8.270 nan 0.000 0.498 634 Y N 2.425 122.789 120.300 0.107 0.000 2.193 634 Y HA -0.319 4.231 4.550 0.000 0.000 0.285 634 Y C 2.522 178.507 175.900 0.142 0.000 1.166 634 Y CA 2.092 60.268 58.100 0.127 0.000 1.181 634 Y CB -0.223 38.318 38.460 0.135 0.000 0.976 634 Y HN 0.240 nan 8.280 nan 0.000 0.520 635 H N -1.360 117.702 119.070 -0.014 0.000 2.518 635 H HA -0.094 4.462 4.556 0.000 0.000 0.289 635 H C 1.809 176.997 175.328 -0.233 0.000 1.051 635 H CA 1.518 57.524 56.048 -0.070 0.000 1.280 635 H CB -1.651 28.180 29.762 0.114 0.000 1.380 635 H HN 0.476 nan 8.280 nan 0.000 0.566 636 T N -0.113 114.032 114.554 -0.682 0.000 3.098 636 T HA -0.195 4.155 4.350 0.000 0.000 0.266 636 T C 1.675 176.223 174.700 -0.252 0.000 1.145 636 T CA 1.012 62.851 62.100 -0.435 0.000 1.092 636 T CB -0.952 67.694 68.868 -0.370 0.000 0.908 636 T HN 0.767 nan 8.240 nan 0.000 0.526 637 H N 1.235 120.156 119.070 -0.249 0.000 2.489 637 H HA 0.253 4.809 4.556 0.000 0.000 0.295 637 H C 2.146 177.421 175.328 -0.089 0.000 1.082 637 H CA 0.912 56.838 56.048 -0.204 0.000 1.295 637 H CB -0.935 28.615 29.762 -0.354 0.000 1.380 637 H HN 0.464 nan 8.280 nan 0.000 0.548 638 A N 1.373 124.021 122.820 -0.286 0.000 2.076 638 A HA -0.060 4.260 4.320 0.000 0.000 0.220 638 A C 2.338 179.920 177.584 -0.003 0.000 1.160 638 A CA 1.354 53.361 52.037 -0.051 0.000 0.653 638 A CB -0.870 18.102 19.000 -0.047 0.000 0.801 638 A HN 0.514 nan 8.150 nan 0.000 0.455 639 L N -0.901 120.299 121.223 -0.038 0.000 2.201 639 L HA -0.056 4.284 4.340 0.000 0.000 0.212 639 L C 1.621 178.493 176.870 0.004 0.000 1.105 639 L CA 0.484 55.311 54.840 -0.022 0.000 0.775 639 L CB -0.404 41.632 42.059 -0.039 0.000 0.913 639 L HN 0.388 nan 8.230 nan 0.000 0.440 640 A N -0.060 122.774 122.820 0.022 0.000 2.527 640 A HA 0.524 4.844 4.320 0.000 0.000 0.313 640 A C 1.301 178.907 177.584 0.036 0.000 1.410 640 A CA 0.323 52.376 52.037 0.025 0.000 1.060 640 A CB 0.419 19.434 19.000 0.025 0.000 1.137 640 A HN 0.276 nan 8.150 nan 0.000 0.542 641 A N 2.052 124.888 122.820 0.026 0.000 1.877 641 A HA -0.055 4.265 4.320 0.000 0.000 0.216 641 A C 2.260 179.859 177.584 0.026 0.000 1.186 641 A CA 2.184 54.242 52.037 0.034 0.000 0.620 641 A CB -0.510 18.505 19.000 0.024 0.000 0.822 641 A HN 0.679 nan 8.150 nan 0.000 0.443 642 S N -0.566 115.138 115.700 0.007 0.000 2.489 642 S HA -0.025 4.445 4.470 0.000 0.000 0.228 642 S C 1.672 176.250 174.600 -0.037 0.000 0.995 642 S CA 0.848 59.041 58.200 -0.012 0.000 0.934 642 S CB -0.244 62.946 63.200 -0.016 0.000 0.771 642 S HN 0.456 nan 8.310 nan 0.000 0.522 643 L N 2.524 123.728 121.223 -0.031 0.000 2.046 643 L HA -0.081 4.259 4.340 0.000 0.000 0.208 643 L C 0.550 177.361 176.870 -0.097 0.000 1.077 643 L CA 1.842 56.641 54.840 -0.070 0.000 0.747 643 L CB -0.600 41.434 42.059 -0.042 0.000 0.896 643 L HN 0.215 nan 8.230 nan 0.000 0.432 644 D N -0.333 120.057 120.400 -0.016 0.000 2.870 644 D HA -0.245 4.395 4.640 0.000 0.000 0.228 644 D C -0.161 176.136 176.300 -0.004 0.000 1.147 644 D CA 0.671 54.679 54.000 0.013 0.000 0.757 644 D CB -1.705 39.081 40.800 -0.023 0.000 1.091 644 D HN 0.573 nan 8.370 nan 0.000 0.429 645 N N 0.600 119.299 118.700 -0.002 0.000 2.475 645 N HA 0.064 4.804 4.740 0.000 0.000 0.267 645 N C 0.763 176.442 175.510 0.282 0.000 1.169 645 N CA 0.148 53.203 53.050 0.008 0.000 0.947 645 N CB 0.584 38.848 38.487 -0.371 0.000 1.061 645 N HN 0.036 nan 8.380 nan 0.000 0.466 646 R N 2.790 123.585 120.500 0.492 0.000 2.362 646 R HA 0.184 4.524 4.340 0.000 0.000 0.227 646 R C -0.456 175.843 176.300 -0.002 0.000 0.905 646 R CA -0.002 56.275 56.100 0.295 0.000 1.067 646 R CB -0.311 30.026 30.300 0.062 0.000 1.078 646 R HN 0.432 nan 8.270 nan 0.000 0.516 647 F N 0.193 120.145 119.950 0.003 0.000 2.436 647 F HA 0.428 4.955 4.527 0.000 0.000 0.340 647 F C 0.146 175.818 175.800 -0.213 0.000 1.113 647 F CA -0.875 57.109 58.000 -0.027 0.000 1.022 647 F CB 1.006 39.977 39.000 -0.049 0.000 1.128 647 F HN -0.246 nan 8.300 nan 0.000 0.466 648 F N 3.472 123.713 119.950 0.485 0.000 2.556 648 F HA 0.689 5.216 4.527 0.000 0.000 0.327 648 F C 0.033 176.025 175.800 0.320 0.000 1.059 648 F CA -1.298 56.982 58.000 0.468 0.000 0.953 648 F CB 1.779 40.935 39.000 0.261 0.000 1.227 648 F HN 0.238 nan 8.300 nan 0.000 0.478 649 I N 0.173 120.993 120.570 0.417 0.000 2.646 649 I HA 0.951 5.121 4.170 0.000 0.000 0.299 649 I C -1.216 175.092 176.117 0.319 0.000 1.036 649 I CA -0.996 60.410 61.300 0.178 0.000 1.074 649 I CB 2.203 40.007 38.000 -0.326 0.000 1.258 649 I HN 0.613 nan 8.210 nan 0.000 0.430 650 A N 3.968 127.013 122.820 0.374 0.000 2.768 650 A HA 0.706 5.026 4.320 0.000 0.000 0.298 650 A C -0.636 177.111 177.584 0.270 0.000 1.159 650 A CA -0.251 51.973 52.037 0.312 0.000 0.783 650 A CB 0.789 19.919 19.000 0.215 0.000 1.333 650 A HN 0.882 nan 8.150 nan 0.000 0.412 651 S N 0.923 116.754 115.700 0.219 0.000 2.567 651 S HA 0.459 4.929 4.470 0.000 0.000 0.270 651 S C 0.276 174.788 174.600 -0.147 0.000 1.152 651 S CA 0.245 58.419 58.200 -0.044 0.000 0.835 651 S CB 1.106 64.184 63.200 -0.203 0.000 1.115 651 S HN 0.845 nan 8.310 nan 0.000 0.459 652 D N 1.789 122.094 120.400 -0.159 0.000 2.265 652 D HA -0.059 4.581 4.640 0.000 0.000 0.208 652 D C 1.391 177.567 176.300 -0.207 0.000 0.977 652 D CA 1.458 55.370 54.000 -0.147 0.000 0.871 652 D CB -0.533 40.190 40.800 -0.129 0.000 0.925 652 D HN 0.265 nan 8.370 nan 0.000 0.485 653 S N -0.614 114.856 115.700 -0.383 0.000 2.442 653 S HA -0.124 4.346 4.470 0.000 0.000 0.236 653 S C 0.198 174.528 174.600 -0.450 0.000 1.007 653 S CA 0.474 58.416 58.200 -0.430 0.000 0.965 653 S CB -0.334 62.562 63.200 -0.506 0.000 0.773 653 S HN 0.400 nan 8.310 nan 0.000 0.504 654 Y N 1.639 121.974 120.300 0.058 0.000 2.801 654 Y HA 0.474 5.024 4.550 0.000 0.000 0.318 654 Y C 0.763 176.730 175.900 0.110 0.000 1.073 654 Y CA -1.268 56.877 58.100 0.075 0.000 1.360 654 Y CB -0.595 37.935 38.460 0.117 0.000 1.220 654 Y HN 0.143 nan 8.280 nan 0.000 0.536 655 S N -1.975 113.722 115.700 -0.005 0.000 2.732 655 S HA 0.427 4.897 4.470 0.000 0.000 0.293 655 S C -0.300 174.012 174.600 -0.480 0.000 1.159 655 S CA -0.778 57.340 58.200 -0.137 0.000 0.847 655 S CB 1.434 64.587 63.200 -0.078 0.000 1.169 655 S HN 0.305 nan 8.310 nan 0.000 0.501 656 H N 0.483 119.320 119.070 -0.389 0.000 2.524 656 H HA 0.456 5.012 4.556 0.000 0.000 0.299 656 H C -0.550 174.618 175.328 -0.268 0.000 1.074 656 H CA 0.075 55.935 56.048 -0.312 0.000 1.115 656 H CB -0.201 29.323 29.762 -0.398 0.000 1.522 656 H HN 0.357 nan 8.280 nan 0.000 0.543 657 L N 0.333 121.466 121.223 -0.150 0.000 2.804 657 L HA 0.287 4.627 4.340 0.000 0.000 0.294 657 L C 0.884 177.801 176.870 0.078 0.000 1.355 657 L CA -0.606 54.204 54.840 -0.050 0.000 0.749 657 L CB 1.135 43.024 42.059 -0.284 0.000 1.103 657 L HN 0.162 nan 8.230 nan 0.000 0.542 658 G N -0.796 108.016 108.800 0.020 0.000 2.414 658 G HA2 0.356 4.316 3.960 0.000 0.000 0.236 658 G HA3 0.356 4.316 3.960 0.000 0.000 0.236 658 G C 1.063 175.845 174.900 -0.196 0.000 1.293 658 G CA 0.856 45.940 45.100 -0.027 0.000 0.869 658 G HN 0.651 nan 8.290 nan 0.000 0.556 659 G N 0.303 108.836 108.800 -0.445 0.000 2.141 659 G HA2 -0.213 3.747 3.960 0.000 0.000 0.242 659 G HA3 -0.213 3.747 3.960 0.000 0.000 0.242 659 G C -0.051 173.990 174.900 -1.432 0.000 0.982 659 G CA 0.326 44.625 45.100 -1.335 0.000 0.662 659 G HN 0.823 nan 8.290 nan 0.000 0.527 660 W N -0.935 120.212 121.300 -0.255 0.000 3.022 660 W HA 0.653 5.313 4.660 0.000 0.000 0.335 660 W C 1.233 177.673 176.519 -0.131 0.000 1.133 660 W CA -1.130 56.158 57.345 -0.095 0.000 1.219 660 W CB 0.736 30.252 29.460 0.095 0.000 1.409 660 W HN -0.075 nan 8.180 nan 0.000 0.507 661 L N 0.992 122.279 121.223 0.107 0.000 2.081 661 L HA -0.267 4.073 4.340 0.000 0.000 0.212 661 L C 2.368 179.107 176.870 -0.219 0.000 1.080 661 L CA 1.701 56.392 54.840 -0.248 0.000 0.754 661 L CB -0.382 41.518 42.059 -0.266 0.000 0.893 661 L HN 0.617 nan 8.230 nan 0.000 0.433 662 E N 0.545 120.869 120.200 0.207 0.000 2.070 662 E HA -0.207 4.143 4.350 0.000 0.000 0.197 662 E C 2.107 178.748 176.600 0.070 0.000 1.004 662 E CA 1.692 58.243 56.400 0.252 0.000 0.805 662 E CB -0.394 29.500 29.700 0.322 0.000 0.744 662 E HN 0.401 nan 8.360 nan 0.000 0.451 663 G N -0.105 108.700 108.800 0.008 0.000 2.402 663 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 663 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 663 G C 1.692 176.577 174.900 -0.024 0.000 1.162 663 G CA 0.990 46.053 45.100 -0.061 0.000 0.777 663 G HN 0.446 nan 8.290 nan 0.000 0.539 664 A N 0.599 123.367 122.820 -0.086 0.000 1.908 664 A HA 0.085 4.405 4.320 0.000 0.000 0.218 664 A C 2.153 179.791 177.584 0.089 0.000 1.181 664 A CA 1.530 53.517 52.037 -0.084 0.000 0.627 664 A CB -0.539 18.312 19.000 -0.250 0.000 0.818 664 A HN 0.256 nan 8.150 nan 0.000 0.445 665 F N -0.486 119.517 119.950 0.089 0.000 2.146 665 F HA -0.061 4.466 4.527 0.000 0.000 0.298 665 F C 2.498 178.422 175.800 0.206 0.000 1.096 665 F CA 1.013 59.118 58.000 0.175 0.000 1.275 665 F CB -0.955 38.228 39.000 0.306 0.000 1.008 665 F HN 0.113 nan 8.300 nan 0.000 0.480 666 M N -0.928 118.844 119.600 0.287 0.000 2.117 666 M HA -0.213 4.267 4.480 0.000 0.000 0.262 666 M C 2.507 178.969 176.300 0.270 0.000 1.065 666 M CA 1.864 57.268 55.300 0.173 0.000 1.114 666 M CB -0.621 31.832 32.600 -0.246 0.000 1.361 666 M HN 0.127 nan 8.290 nan 0.000 0.408 667 S N 0.174 116.000 115.700 0.210 0.000 2.383 667 S HA -0.090 4.380 4.470 0.000 0.000 0.227 667 S C 1.974 176.677 174.600 0.172 0.000 1.026 667 S CA 1.273 59.593 58.200 0.201 0.000 0.981 667 S CB -0.167 63.165 63.200 0.219 0.000 0.818 667 S HN 0.484 nan 8.310 nan 0.000 0.472 668 A N 1.178 124.117 122.820 0.198 0.000 1.908 668 A HA -0.039 4.281 4.320 0.000 0.000 0.218 668 A C 2.130 179.789 177.584 0.124 0.000 1.181 668 A CA 1.648 53.786 52.037 0.168 0.000 0.627 668 A CB -0.895 18.221 19.000 0.193 0.000 0.818 668 A HN 0.536 nan 8.150 nan 0.000 0.445 669 L N 0.271 121.605 121.223 0.186 0.000 2.046 669 L HA -0.171 4.169 4.340 0.000 0.000 0.208 669 L C 2.062 178.908 176.870 -0.039 0.000 1.077 669 L CA 1.926 56.838 54.840 0.121 0.000 0.747 669 L CB -0.639 41.557 42.059 0.229 0.000 0.896 669 L HN 0.346 nan 8.230 nan 0.000 0.432 670 N N -0.149 118.495 118.700 -0.094 0.000 2.069 670 N HA -0.181 4.559 4.740 0.000 0.000 0.191 670 N C 1.832 177.113 175.510 -0.383 0.000 1.031 670 N CA 1.604 54.356 53.050 -0.497 0.000 0.852 670 N CB -0.567 37.393 38.487 -0.878 0.000 1.018 670 N HN 0.464 nan 8.380 nan 0.000 0.423 671 A N 0.621 123.360 122.820 -0.136 0.000 1.877 671 A HA -0.091 4.229 4.320 0.000 0.000 0.216 671 A C 2.505 179.906 177.584 -0.304 0.000 1.186 671 A CA 1.553 53.567 52.037 -0.038 0.000 0.620 671 A CB -0.781 18.294 19.000 0.125 0.000 0.822 671 A HN 0.127 nan 8.150 nan 0.000 0.443 672 V N -0.313 119.472 119.914 -0.215 0.000 2.453 672 V HA -0.150 3.970 4.120 0.000 0.000 0.247 672 V C 3.014 178.908 176.094 -0.333 0.000 1.048 672 V CA 1.576 63.710 62.300 -0.276 0.000 1.049 672 V CB -1.181 30.553 31.823 -0.150 0.000 0.672 672 V HN 0.616 nan 8.190 nan 0.000 0.457 673 A N 0.910 123.578 122.820 -0.253 0.000 1.883 673 A HA -0.158 4.162 4.320 0.000 0.000 0.217 673 A C 2.447 179.869 177.584 -0.270 0.000 1.186 673 A CA 2.188 54.094 52.037 -0.219 0.000 0.624 673 A CB -1.368 17.540 19.000 -0.153 0.000 0.822 673 A HN 0.514 nan 8.150 nan 0.000 0.444 674 G N -0.352 108.264 108.800 -0.306 0.000 2.440 674 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 674 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 674 G C 1.613 176.004 174.900 -0.848 0.000 1.154 674 G CA 1.081 45.943 45.100 -0.396 0.000 0.767 674 G HN 0.538 nan 8.290 nan 0.000 0.552 675 L N 0.093 120.494 121.223 -1.370 0.000 2.042 675 L HA -0.044 4.296 4.340 0.000 0.000 0.210 675 L C 2.794 179.257 176.870 -0.678 0.000 1.076 675 L CA 1.222 55.367 54.840 -1.159 0.000 0.749 675 L CB -0.192 41.288 42.059 -0.965 0.000 0.893 675 L HN 0.252 nan 8.230 nan 0.000 0.432 676 I N -1.195 119.075 120.570 -0.500 0.000 2.179 676 I HA -0.298 3.872 4.170 0.000 0.000 0.242 676 I C 2.378 178.354 176.117 -0.234 0.000 1.088 676 I CA 1.329 62.425 61.300 -0.339 0.000 1.357 676 I CB -0.338 37.508 38.000 -0.256 0.000 1.051 676 I HN 0.084 nan 8.210 nan 0.000 0.409 677 V N 0.786 120.580 119.914 -0.201 0.000 2.343 677 V HA -0.282 3.838 4.120 0.000 0.000 0.247 677 V C 2.614 178.677 176.094 -0.052 0.000 1.051 677 V CA 1.976 64.212 62.300 -0.107 0.000 1.036 677 V CB -0.775 30.993 31.823 -0.092 0.000 0.654 677 V HN 0.388 nan 8.190 nan 0.000 0.451 678 R N 1.368 121.846 120.500 -0.036 0.000 2.081 678 R HA -0.100 4.240 4.340 0.000 0.000 0.235 678 R C 2.113 178.489 176.300 0.128 0.000 1.131 678 R CA 1.979 58.149 56.100 0.116 0.000 0.960 678 R CB -1.037 29.460 30.300 0.329 0.000 0.856 678 R HN 0.433 nan 8.270 nan 0.000 0.436 679 A N 0.167 122.965 122.820 -0.035 0.000 2.070 679 A HA -0.070 4.250 4.320 0.000 0.000 0.220 679 A C 1.259 178.916 177.584 0.122 0.000 1.159 679 A CA 1.495 53.593 52.037 0.101 0.000 0.656 679 A CB -0.368 18.550 19.000 -0.138 0.000 0.800 679 A HN 0.471 nan 8.150 nan 0.000 0.453 680 N N -0.281 118.444 118.700 0.042 0.000 2.279 680 N HA 0.100 4.840 4.740 0.000 0.000 0.226 680 N C -0.595 174.944 175.510 0.047 0.000 1.126 680 N CA -0.056 53.019 53.050 0.041 0.000 0.846 680 N CB 0.197 38.682 38.487 -0.003 0.000 1.050 680 N HN 0.382 nan 8.380 nan 0.000 0.502 681 R N -0.171 120.375 120.500 0.077 0.000 3.416 681 R HA -0.220 4.120 4.340 0.000 0.000 0.263 681 R C 0.818 177.145 176.300 0.044 0.000 1.053 681 R CA 0.450 56.593 56.100 0.071 0.000 0.705 681 R CB -2.102 28.234 30.300 0.061 0.000 1.124 681 R HN 0.474 nan 8.270 nan 0.000 0.444 682 G N -0.368 108.453 108.800 0.036 0.000 2.175 682 G HA2 -0.302 3.658 3.960 0.000 0.000 0.244 682 G HA3 -0.302 3.658 3.960 0.000 0.000 0.244 682 G C -0.306 174.593 174.900 -0.002 0.000 0.982 682 G CA 0.124 45.234 45.100 0.016 0.000 0.641 682 G HN 0.497 nan 8.290 nan 0.000 0.527 683 D N 1.079 121.477 120.400 -0.003 0.000 2.365 683 D HA 0.424 5.064 4.640 0.000 0.000 0.237 683 D C 1.891 178.175 176.300 -0.026 0.000 1.190 683 D CA 0.229 54.222 54.000 -0.011 0.000 0.867 683 D CB 1.189 41.986 40.800 -0.005 0.000 1.050 683 D HN 0.616 nan 8.370 nan 0.000 0.491 684 V N 2.136 122.032 119.914 -0.029 0.000 3.141 684 V HA -0.093 4.027 4.120 0.000 0.000 0.265 684 V C 1.816 177.886 176.094 -0.039 0.000 1.126 684 V CA 1.449 63.724 62.300 -0.040 0.000 1.141 684 V CB -0.826 30.974 31.823 -0.038 0.000 0.743 684 V HN 0.510 nan 8.190 nan 0.000 0.492 685 S N 1.244 116.925 115.700 -0.030 0.000 2.507 685 S HA 0.094 4.564 4.470 0.000 0.000 0.235 685 S C 1.905 176.485 174.600 -0.034 0.000 0.988 685 S CA 1.039 59.222 58.200 -0.029 0.000 0.944 685 S CB -0.425 62.763 63.200 -0.020 0.000 0.762 685 S HN 1.039 nan 8.310 nan 0.000 0.526 686 A N 0.984 123.781 122.820 -0.040 0.000 2.119 686 A HA 0.387 4.707 4.320 0.000 0.000 0.217 686 A C 0.988 178.533 177.584 -0.065 0.000 1.153 686 A CA 0.108 52.116 52.037 -0.048 0.000 0.692 686 A CB -0.442 18.527 19.000 -0.052 0.000 0.799 686 A HN 0.576 nan 8.150 nan 0.000 0.458 687 L N 1.225 122.407 121.223 -0.069 0.000 2.417 687 L HA 0.186 4.526 4.340 0.000 0.000 0.268 687 L C 1.180 178.012 176.870 -0.064 0.000 1.158 687 L CA -0.423 54.371 54.840 -0.077 0.000 0.819 687 L CB 0.980 42.990 42.059 -0.083 0.000 1.112 687 L HN 0.416 nan 8.230 nan 0.000 0.458 688 S N 0.504 116.164 115.700 -0.066 0.000 2.569 688 S HA -0.018 4.452 4.470 0.000 0.000 0.274 688 S C 1.141 175.709 174.600 -0.053 0.000 1.353 688 S CA -0.199 57.968 58.200 -0.055 0.000 1.023 688 S CB 0.937 64.104 63.200 -0.055 0.000 0.876 688 S HN 0.686 nan 8.310 nan 0.000 0.540 689 T N 2.005 116.534 114.554 -0.043 0.000 2.665 689 T HA -0.144 4.206 4.350 0.000 0.000 0.268 689 T C 1.508 176.181 174.700 -0.046 0.000 1.035 689 T CA 2.235 64.312 62.100 -0.039 0.000 1.151 689 T CB -0.593 68.257 68.868 -0.030 0.000 0.862 689 T HN 0.773 nan 8.240 nan 0.000 0.438 690 E N 0.874 121.044 120.200 -0.051 0.000 2.208 690 E HA 0.154 4.504 4.350 0.000 0.000 0.193 690 E C 2.195 178.743 176.600 -0.087 0.000 0.988 690 E CA 0.877 57.240 56.400 -0.060 0.000 0.828 690 E CB -0.320 29.346 29.700 -0.056 0.000 0.763 690 E HN 0.520 nan 8.360 nan 0.000 0.478 691 A N 0.248 123.011 122.820 -0.094 0.000 2.030 691 A HA 0.030 4.350 4.320 0.000 0.000 0.215 691 A C 2.006 179.522 177.584 -0.114 0.000 1.164 691 A CA 0.650 52.612 52.037 -0.126 0.000 0.697 691 A CB -0.201 18.727 19.000 -0.119 0.000 0.827 691 A HN 0.079 nan 8.150 nan 0.000 0.457 692 R N 0.295 120.745 120.500 -0.083 0.000 2.119 692 R HA -0.147 4.193 4.340 0.000 0.000 0.246 692 R C -1.082 175.180 176.300 -0.064 0.000 1.146 692 R CA 2.154 58.213 56.100 -0.068 0.000 0.962 692 R CB -1.063 29.206 30.300 -0.052 0.000 0.863 692 R HN 0.361 nan 8.270 nan 0.000 0.442 693 P HA -0.114 nan 4.420 nan 0.000 0.225 693 P C 0.811 178.080 177.300 -0.053 0.000 1.148 693 P CA 1.022 64.094 63.100 -0.047 0.000 0.779 693 P CB -0.035 31.641 31.700 -0.040 0.000 0.780 694 L N -1.666 119.489 121.223 -0.113 0.000 2.127 694 L HA -0.163 4.177 4.340 0.000 0.000 0.211 694 L C 2.107 179.005 176.870 0.046 0.000 1.089 694 L CA 1.364 56.131 54.840 -0.121 0.000 0.757 694 L CB -0.719 41.204 42.059 -0.227 0.000 0.899 694 L HN -0.056 nan 8.230 nan 0.000 0.434 695 V N -0.231 119.686 119.914 0.006 0.000 2.521 695 V HA -0.089 4.031 4.120 0.000 0.000 0.239 695 V C 1.943 178.007 176.094 -0.049 0.000 1.053 695 V CA 1.178 63.463 62.300 -0.025 0.000 1.073 695 V CB 0.255 32.050 31.823 -0.047 0.000 0.746 695 V HN 0.423 nan 8.190 nan 0.000 0.476 696 I N -0.713 119.837 120.570 -0.033 0.000 3.428 696 I HA 0.241 4.411 4.170 0.000 0.000 0.286 696 I C 1.831 177.947 176.117 -0.002 0.000 1.287 696 I CA 1.246 62.531 61.300 -0.024 0.000 1.396 696 I CB -0.500 37.486 38.000 -0.023 0.000 1.062 696 I HN 0.192 nan 8.210 nan 0.000 0.471 697 G N 1.874 110.682 108.800 0.013 0.000 2.985 697 G HA2 0.320 4.280 3.960 0.000 0.000 0.209 697 G HA3 0.320 4.280 3.960 0.000 0.000 0.209 697 G C 0.520 175.467 174.900 0.078 0.000 1.165 697 G CA -0.115 45.011 45.100 0.044 0.000 0.776 697 G HN 0.266 nan 8.290 nan 0.000 0.541 698 L N -0.113 121.146 121.223 0.061 0.000 2.322 698 L HA 0.504 4.844 4.340 0.000 0.000 0.269 698 L C 0.231 177.134 176.870 0.054 0.000 1.012 698 L CA -1.241 53.653 54.840 0.088 0.000 0.815 698 L CB 1.837 43.928 42.059 0.054 0.000 1.295 698 L HN -0.070 nan 8.230 nan 0.000 0.438 699 R N 2.203 122.755 120.500 0.086 0.000 2.522 699 R HA 0.144 4.484 4.340 0.000 0.000 0.284 699 R C -2.213 174.105 176.300 0.030 0.000 1.032 699 R CA -1.381 54.758 56.100 0.064 0.000 1.049 699 R CB -0.062 30.294 30.300 0.093 0.000 0.956 699 R HN 0.309 nan 8.270 nan 0.000 0.422 700 P HA -0.061 nan 4.420 nan 0.000 0.269 700 P C 0.842 178.144 177.300 0.003 0.000 1.209 700 P CA 0.002 63.089 63.100 -0.021 0.000 0.776 700 P CB 0.810 32.499 31.700 -0.017 0.000 0.876 701 V N 0.893 120.801 119.914 -0.010 0.000 2.788 701 V HA 0.016 4.136 4.120 0.000 0.000 0.251 701 V C 0.751 176.864 176.094 0.031 0.000 1.068 701 V CA 0.892 63.209 62.300 0.028 0.000 1.090 701 V CB -0.429 31.420 31.823 0.043 0.000 0.710 701 V HN 0.179 nan 8.190 nan 0.000 0.467 702 V N 1.347 121.270 119.914 0.015 0.000 2.347 702 V HA 0.349 4.469 4.120 0.000 0.000 0.280 702 V C 1.103 177.206 176.094 0.014 0.000 1.021 702 V CA -0.400 61.910 62.300 0.018 0.000 0.847 702 V CB 1.024 32.856 31.823 0.015 0.000 0.990 702 V HN 0.315 nan 8.190 nan 0.000 0.444 703 K N 2.966 123.377 120.400 0.018 0.000 2.103 703 K HA 0.104 4.424 4.320 0.000 0.000 0.204 703 K C 0.118 176.725 176.600 0.011 0.000 1.052 703 K CA 0.961 57.257 56.287 0.015 0.000 0.945 703 K CB 0.359 32.870 32.500 0.018 0.000 0.722 703 K HN 0.526 nan 8.250 nan 0.000 0.443 704 V N 2.689 122.610 119.914 0.011 0.000 2.638 704 V HA 0.247 4.367 4.120 0.000 0.000 0.306 704 V C -2.473 173.626 176.094 0.007 0.000 1.052 704 V CA -2.066 60.239 62.300 0.008 0.000 0.885 704 V CB 1.630 33.458 31.823 0.009 0.000 0.999 704 V HN 0.092 nan 8.190 nan 0.000 0.424 705 P HA 0.416 nan 4.420 nan 0.000 0.274 705 P C -0.255 177.047 177.300 0.004 0.000 1.231 705 P CA -0.096 63.006 63.100 0.004 0.000 0.790 705 P CB 1.103 32.804 31.700 0.002 0.000 0.951 706 A N 1.410 124.232 122.820 0.003 0.000 2.310 706 A HA 0.624 4.944 4.320 0.000 0.000 0.260 706 A C 0.301 177.884 177.584 -0.001 0.000 1.112 706 A CA 0.663 52.701 52.037 0.001 0.000 0.804 706 A CB -0.535 18.466 19.000 0.002 0.000 1.081 706 A HN 0.926 nan 8.150 nan 0.000 0.499 707 A N 0.000 122.818 122.820 -0.003 0.000 2.254 707 A HA 0.000 4.320 4.320 0.000 0.000 0.244 707 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 707 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 707 A HN 0.000 nan 8.150 nan 0.000 0.486