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_B 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 0.000 176.612 176.600 0.019 0.000 0.988 16 K CA 0.000 56.288 56.287 0.002 0.000 0.838 16 K CB 0.000 32.505 32.500 0.008 0.000 1.064 17 I N 3.017 123.607 120.570 0.035 0.000 2.471 17 I HA 0.181 4.351 4.170 0.000 0.000 0.286 17 I C 0.410 176.544 176.117 0.028 0.000 1.079 17 I CA -0.547 60.809 61.300 0.092 0.000 1.398 17 I CB 1.086 39.144 38.000 0.096 0.000 1.403 17 I HN 0.169 nan 8.210 nan 0.000 0.530 18 A N 4.397 127.196 122.820 -0.034 0.000 2.477 18 A HA 0.308 4.628 4.320 0.000 0.000 0.246 18 A C 0.988 178.430 177.584 -0.236 0.000 1.078 18 A CA 0.126 51.986 52.037 -0.295 0.000 0.770 18 A CB 0.093 18.687 19.000 -0.677 0.000 1.011 18 A HN 0.874 nan 8.150 nan 0.000 0.494 19 T N -1.600 112.831 114.554 -0.204 0.000 3.003 19 T HA 0.339 4.689 4.350 0.000 0.000 0.261 19 T C 0.493 175.096 174.700 -0.163 0.000 1.003 19 T CA 0.735 62.756 62.100 -0.132 0.000 0.917 19 T CB -0.424 68.401 68.868 -0.071 0.000 1.084 19 T HN 1.214 nan 8.240 nan 0.000 0.522 20 T N -1.779 112.633 114.554 -0.237 0.000 2.883 20 T HA 0.596 4.946 4.350 0.000 0.000 0.296 20 T C 1.074 175.584 174.700 -0.315 0.000 1.117 20 T CA -0.340 61.636 62.100 -0.207 0.000 1.006 20 T CB 1.578 70.365 68.868 -0.135 0.000 1.191 20 T HN -0.210 nan 8.240 nan 0.000 0.508 21 V N 1.524 121.313 119.914 -0.207 0.000 2.282 21 V HA -0.097 4.023 4.120 0.000 0.000 0.249 21 V C 2.852 178.842 176.094 -0.173 0.000 1.057 21 V CA 2.778 64.985 62.300 -0.154 0.000 1.032 21 V CB -1.384 30.488 31.823 0.082 0.000 0.645 21 V HN 1.112 nan 8.190 nan 0.000 0.447 22 G N -0.965 107.764 108.800 -0.119 0.000 2.408 22 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 22 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 22 G C 1.445 176.256 174.900 -0.148 0.000 1.150 22 G CA 0.799 45.843 45.100 -0.093 0.000 0.776 22 G HN 0.584 nan 8.290 nan 0.000 0.542 23 E N 0.565 120.639 120.200 -0.209 0.000 2.077 23 E HA -0.061 4.289 4.350 0.000 0.000 0.193 23 E C 2.929 179.322 176.600 -0.345 0.000 0.989 23 E CA 0.814 57.071 56.400 -0.239 0.000 0.800 23 E CB -0.181 29.377 29.700 -0.237 0.000 0.746 23 E HN 0.411 nan 8.360 nan 0.000 0.452 24 A N 1.588 124.054 122.820 -0.590 0.000 1.877 24 A HA -0.208 4.112 4.320 0.000 0.000 0.216 24 A C 2.117 179.430 177.584 -0.452 0.000 1.186 24 A CA 1.531 53.063 52.037 -0.843 0.000 0.620 24 A CB -0.485 17.379 19.000 -1.895 0.000 0.822 24 A HN 0.086 nan 8.150 nan 0.000 0.443 25 R N -0.336 120.026 120.500 -0.231 0.000 2.083 25 R HA -0.121 4.219 4.340 0.000 0.000 0.237 25 R C 1.934 178.255 176.300 0.035 0.000 1.137 25 R CA 1.811 57.945 56.100 0.057 0.000 0.951 25 R CB -0.428 29.930 30.300 0.096 0.000 0.851 25 R HN 0.531 nan 8.270 nan 0.000 0.434 26 L N -0.078 121.126 121.223 -0.031 0.000 2.141 26 L HA -0.111 4.229 4.340 0.000 0.000 0.209 26 L C 2.633 179.496 176.870 -0.012 0.000 1.094 26 L CA 1.090 55.923 54.840 -0.013 0.000 0.763 26 L CB -0.385 41.656 42.059 -0.029 0.000 0.908 26 L HN 0.260 nan 8.230 nan 0.000 0.437 27 S N 0.024 115.691 115.700 -0.056 0.000 2.368 27 S HA -0.117 4.353 4.470 0.000 0.000 0.225 27 S C 1.721 176.334 174.600 0.023 0.000 1.030 27 S CA 1.499 59.675 58.200 -0.041 0.000 0.999 27 S CB -0.204 62.934 63.200 -0.102 0.000 0.844 27 S HN 0.518 nan 8.310 nan 0.000 0.459 28 G N 0.102 108.943 108.800 0.069 0.000 3.277 28 G HA2 0.233 4.193 3.960 0.000 0.000 0.243 28 G HA3 0.233 4.193 3.960 0.000 0.000 0.243 28 G C 1.045 176.064 174.900 0.199 0.000 1.107 28 G CA -0.174 45.022 45.100 0.160 0.000 0.771 28 G HN 0.532 nan 8.290 nan 0.000 0.544 29 I N 0.243 120.895 120.570 0.137 0.000 2.454 29 I HA -0.127 4.043 4.170 0.000 0.000 0.254 29 I C 1.609 177.798 176.117 0.120 0.000 1.156 29 I CA 0.888 62.263 61.300 0.124 0.000 1.433 29 I CB 0.253 38.303 38.000 0.084 0.000 1.082 29 I HN 0.065 nan 8.210 nan 0.000 0.432 30 N N -0.394 118.379 118.700 0.121 0.000 2.373 30 N HA -0.078 4.662 4.740 0.000 0.000 0.181 30 N C 0.107 175.678 175.510 0.103 0.000 1.082 30 N CA 0.085 53.190 53.050 0.092 0.000 0.885 30 N CB 0.004 38.528 38.487 0.063 0.000 0.977 30 N HN 0.304 nan 8.380 nan 0.000 0.462 31 Y N 2.619 122.955 120.300 0.060 0.000 2.526 31 Y HA 0.074 4.624 4.550 0.000 0.000 0.330 31 Y C 0.042 175.939 175.900 -0.005 0.000 1.156 31 Y CA -0.093 58.018 58.100 0.017 0.000 1.419 31 Y CB 0.317 38.811 38.460 0.057 0.000 1.250 31 Y HN -0.179 nan 8.280 nan 0.000 0.540 32 R N 5.278 125.323 120.500 -0.759 0.000 2.437 32 R HA 0.306 4.646 4.340 0.000 0.000 0.310 32 R C -0.891 174.879 176.300 -0.883 0.000 0.955 32 R CA -0.860 54.945 56.100 -0.491 0.000 0.851 32 R CB 1.082 31.221 30.300 -0.268 0.000 1.161 32 R HN 0.698 nan 8.270 nan 0.000 0.446 33 H N 3.664 122.503 119.070 -0.385 0.000 2.629 33 H HA 0.049 4.605 4.556 0.000 0.000 0.357 33 H C -1.421 173.668 175.328 -0.398 0.000 1.121 33 H CA -1.624 54.207 56.048 -0.362 0.000 1.406 33 H CB 1.280 30.866 29.762 -0.294 0.000 1.456 33 H HN 0.426 nan 8.280 nan 0.000 0.579 34 P HA -0.105 nan 4.420 nan 0.000 0.223 34 P C 0.469 177.458 177.300 -0.519 0.000 1.151 34 P CA 1.101 63.712 63.100 -0.816 0.000 0.787 34 P CB 0.418 31.002 31.700 -1.861 0.000 0.788 35 D N -0.170 120.080 120.400 -0.250 0.000 2.340 35 D HA 0.020 4.660 4.640 0.000 0.000 0.220 35 D C 0.542 177.007 176.300 0.276 0.000 1.039 35 D CA 0.749 54.798 54.000 0.081 0.000 0.866 35 D CB 0.234 41.000 40.800 -0.056 0.000 0.913 35 D HN 0.295 nan 8.370 nan 0.000 0.523 36 S N -0.592 115.236 115.700 0.215 0.000 2.694 36 S HA 0.487 4.957 4.470 0.000 0.000 0.232 36 S C 0.959 175.660 174.600 0.169 0.000 1.017 36 S CA -0.587 57.813 58.200 0.334 0.000 1.139 36 S CB 0.966 64.531 63.200 0.608 0.000 1.247 36 S HN 0.080 nan 8.310 nan 0.000 0.452 37 A N 1.257 124.113 122.820 0.060 0.000 2.119 37 A HA 0.257 4.577 4.320 0.000 0.000 0.217 37 A C 1.749 179.332 177.584 -0.001 0.000 1.153 37 A CA 0.717 52.734 52.037 -0.034 0.000 0.692 37 A CB -0.569 18.390 19.000 -0.068 0.000 0.799 37 A HN 0.650 nan 8.150 nan 0.000 0.458 38 L N -1.086 120.166 121.223 0.048 0.000 2.465 38 L HA 0.077 4.417 4.340 0.000 0.000 0.224 38 L C 0.433 177.322 176.870 0.031 0.000 1.145 38 L CA 0.312 55.173 54.840 0.034 0.000 0.834 38 L CB 0.149 42.232 42.059 0.040 0.000 0.944 38 L HN 0.244 nan 8.230 nan 0.000 0.451 39 V N -1.012 118.939 119.914 0.062 0.000 2.686 39 V HA 0.297 4.417 4.120 0.000 0.000 0.306 39 V C -0.436 175.734 176.094 0.127 0.000 1.065 39 V CA -0.627 61.708 62.300 0.059 0.000 0.894 39 V CB 2.254 34.076 31.823 -0.003 0.000 1.004 39 V HN 0.026 nan 8.190 nan 0.000 0.424 40 S N 5.824 121.576 115.700 0.086 0.000 2.448 40 S HA 0.288 4.758 4.470 0.000 0.000 0.279 40 S C 0.620 175.321 174.600 0.169 0.000 1.195 40 S CA -0.132 58.150 58.200 0.138 0.000 1.051 40 S CB 0.325 63.570 63.200 0.076 0.000 0.948 40 S HN 0.689 nan 8.310 nan 0.000 0.493 41 Y N 5.291 125.620 120.300 0.048 0.000 2.165 41 Y HA 0.042 4.592 4.550 0.000 0.000 0.286 41 Y C -0.689 175.158 175.900 -0.089 0.000 1.155 41 Y CA 1.098 59.205 58.100 0.011 0.000 1.164 41 Y CB -1.779 36.722 38.460 0.068 0.000 0.978 41 Y HN 0.580 nan 8.280 nan 0.000 0.513 42 P HA -0.159 nan 4.420 nan 0.000 0.216 42 P C 1.932 179.125 177.300 -0.179 0.000 1.150 42 P CA 1.618 64.614 63.100 -0.173 0.000 0.837 42 P CB 0.006 31.694 31.700 -0.020 0.000 0.786 43 V N 0.247 120.126 119.914 -0.059 0.000 2.343 43 V HA -0.248 3.872 4.120 0.000 0.000 0.247 43 V C 2.489 178.535 176.094 -0.080 0.000 1.051 43 V CA 2.222 64.492 62.300 -0.050 0.000 1.036 43 V CB -1.759 30.056 31.823 -0.015 0.000 0.654 43 V HN 0.099 nan 8.190 nan 0.000 0.451 44 A N 0.014 122.772 122.820 -0.103 0.000 1.940 44 A HA -0.106 4.214 4.320 0.000 0.000 0.219 44 A C 2.209 179.716 177.584 -0.127 0.000 1.176 44 A CA 2.020 53.978 52.037 -0.132 0.000 0.631 44 A CB -0.604 18.269 19.000 -0.211 0.000 0.814 44 A HN 0.619 nan 8.150 nan 0.000 0.446 45 A N -0.903 121.808 122.820 -0.182 0.000 2.251 45 A HA 0.516 4.836 4.320 0.000 0.000 0.209 45 A C 2.069 179.593 177.584 -0.100 0.000 1.187 45 A CA 1.071 52.993 52.037 -0.190 0.000 0.823 45 A CB -0.608 18.139 19.000 -0.422 0.000 0.846 45 A HN 0.868 nan 8.150 nan 0.000 0.486 46 A N -0.339 122.440 122.820 -0.068 0.000 1.969 46 A HA 0.446 4.766 4.320 0.000 0.000 0.218 46 A C 1.371 178.998 177.584 0.071 0.000 1.169 46 A CA 1.419 53.486 52.037 0.050 0.000 0.635 46 A CB -0.343 18.669 19.000 0.020 0.000 0.810 46 A HN 1.059 nan 8.150 nan 0.000 0.445 47 A N -1.206 121.632 122.820 0.030 0.000 2.387 47 A HA 0.702 5.022 4.320 0.000 0.000 0.303 47 A C -2.900 174.690 177.584 0.010 0.000 1.145 47 A CA -2.017 50.033 52.037 0.021 0.000 0.801 47 A CB 0.261 19.260 19.000 -0.002 0.000 1.342 47 A HN 0.067 nan 8.150 nan 0.000 0.440 48 P HA 0.112 nan 4.420 nan 0.000 0.266 48 P C 0.576 177.849 177.300 -0.046 0.000 1.193 48 P CA 0.059 63.139 63.100 -0.033 0.000 0.770 48 P CB 0.338 32.006 31.700 -0.053 0.000 0.836 49 L N 0.464 121.651 121.223 -0.060 0.000 2.275 49 L HA 0.090 4.430 4.340 0.000 0.000 0.215 49 L C 1.407 178.223 176.870 -0.091 0.000 1.119 49 L CA 1.387 56.179 54.840 -0.079 0.000 0.790 49 L CB -0.627 41.375 42.059 -0.094 0.000 0.919 49 L HN 0.642 nan 8.230 nan 0.000 0.443 50 G N -1.480 107.265 108.800 -0.092 0.000 2.393 50 G HA2 0.360 4.320 3.960 0.000 0.000 0.264 50 G HA3 0.360 4.320 3.960 0.000 0.000 0.264 50 G C -1.537 173.310 174.900 -0.088 0.000 1.221 50 G CA -0.741 44.304 45.100 -0.091 0.000 0.912 50 G HN -0.216 nan 8.290 nan 0.000 0.483 51 R N -0.581 119.867 120.500 -0.088 0.000 2.744 51 R HA 0.701 5.042 4.340 0.000 0.000 0.279 51 R C -1.033 175.214 176.300 -0.090 0.000 0.977 51 R CA -0.681 55.374 56.100 -0.075 0.000 0.906 51 R CB 1.615 31.888 30.300 -0.045 0.000 1.197 51 R HN 0.475 nan 8.270 nan 0.000 0.463 52 L N 2.255 123.429 121.223 -0.082 0.000 2.330 52 L HA 0.548 4.888 4.340 0.000 0.000 0.271 52 L C -1.940 174.962 176.870 0.052 0.000 1.013 52 L CA -2.142 52.657 54.840 -0.069 0.000 0.816 52 L CB 1.590 43.521 42.059 -0.213 0.000 1.287 52 L HN 0.253 nan 8.230 nan 0.000 0.435 53 P HA 0.067 nan 4.420 nan 0.000 0.269 53 P C -0.604 176.823 177.300 0.210 0.000 1.217 53 P CA -0.322 62.870 63.100 0.153 0.000 0.783 53 P CB 0.440 32.242 31.700 0.169 0.000 0.898 54 A N 1.385 124.280 122.820 0.124 0.000 2.520 54 A HA 0.500 4.820 4.320 0.000 0.000 0.235 54 A C 0.779 178.404 177.584 0.068 0.000 1.065 54 A CA 1.149 53.248 52.037 0.104 0.000 0.764 54 A CB -0.861 18.168 19.000 0.049 0.000 1.002 54 A HN 0.792 nan 8.150 nan 0.000 0.502 55 G N 0.761 109.571 108.800 0.018 0.000 2.337 55 G HA2 0.308 4.268 3.960 0.000 0.000 0.298 55 G HA3 0.308 4.268 3.960 0.000 0.000 0.298 55 G C -1.511 173.272 174.900 -0.194 0.000 1.335 55 G CA -0.909 44.070 45.100 -0.201 0.000 0.875 55 G HN 0.739 nan 8.290 nan 0.000 0.579 56 N N 0.510 119.030 118.700 -0.300 0.000 2.569 56 N HA 0.383 5.123 4.740 0.000 0.000 0.254 56 N C -1.329 174.072 175.510 -0.180 0.000 1.004 56 N CA -0.185 52.788 53.050 -0.129 0.000 0.904 56 N CB 1.399 39.850 38.487 -0.061 0.000 1.165 56 N HN 0.379 nan 8.380 nan 0.000 0.513 57 Y N 0.926 121.270 120.300 0.073 0.000 2.304 57 Y HA 0.299 4.849 4.550 0.000 0.000 0.328 57 Y C 0.963 176.926 175.900 0.106 0.000 1.123 57 Y CA -0.369 57.796 58.100 0.108 0.000 1.218 57 Y CB 1.152 39.713 38.460 0.168 0.000 1.207 57 Y HN 0.061 nan 8.280 nan 0.000 0.495 58 R N 4.279 124.918 120.500 0.232 0.000 2.275 58 R HA 0.547 4.887 4.340 0.000 0.000 0.326 58 R C -1.248 175.267 176.300 0.358 0.000 0.973 58 R CA -0.305 55.944 56.100 0.249 0.000 0.854 58 R CB 0.805 31.192 30.300 0.145 0.000 1.156 58 R HN 0.629 nan 8.270 nan 0.000 0.487 59 I N 1.615 122.379 120.570 0.324 0.000 2.530 59 I HA 0.524 4.694 4.170 0.000 0.000 0.297 59 I C -0.138 175.973 176.117 -0.010 0.000 1.011 59 I CA -0.977 60.451 61.300 0.214 0.000 1.107 59 I CB 2.177 40.295 38.000 0.197 0.000 1.285 59 I HN 0.551 nan 8.210 nan 0.000 0.436 60 A N 6.884 129.501 122.820 -0.337 0.000 2.337 60 A HA 0.830 5.150 4.320 0.000 0.000 0.329 60 A C -0.740 176.774 177.584 -0.117 0.000 1.146 60 A CA -0.484 51.286 52.037 -0.444 0.000 0.800 60 A CB 0.792 19.190 19.000 -1.004 0.000 1.220 60 A HN 0.646 nan 8.150 nan 0.000 0.472 61 I N 2.576 123.155 120.570 0.015 0.000 2.382 61 I HA 0.274 4.444 4.170 0.000 0.000 0.286 61 I C -0.749 175.442 176.117 0.124 0.000 1.002 61 I CA -0.760 60.584 61.300 0.073 0.000 1.135 61 I CB 1.941 39.995 38.000 0.089 0.000 1.288 61 I HN 0.285 nan 8.210 nan 0.000 0.448 62 V N 5.857 125.820 119.914 0.083 0.000 2.334 62 V HA 0.722 4.842 4.120 0.000 0.000 0.267 62 V C 0.538 176.691 176.094 0.099 0.000 1.040 62 V CA -0.282 62.063 62.300 0.075 0.000 0.866 62 V CB 0.357 32.164 31.823 -0.027 0.000 1.019 62 V HN 1.061 nan 8.190 nan 0.000 0.468 63 G N 3.561 112.428 108.800 0.112 0.000 3.226 63 G HA2 0.200 4.160 3.960 0.000 0.000 0.685 63 G HA3 0.200 4.160 3.960 0.000 0.000 0.685 63 G C 0.050 174.989 174.900 0.066 0.000 1.207 63 G CA -0.511 44.641 45.100 0.086 0.000 0.877 63 G HN 1.156 nan 8.290 nan 0.000 0.585 64 G N 0.677 109.493 108.800 0.025 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 0.825 175.769 174.900 0.073 0.000 1.273 64 G CA 0.922 46.022 45.100 -0.000 0.000 1.095 64 G HN 1.264 nan 8.290 nan 0.000 0.582 65 G N -0.574 108.267 108.800 0.069 0.000 2.543 65 G HA2 0.486 4.446 3.960 0.000 0.000 0.267 65 G HA3 0.486 4.446 3.960 0.000 0.000 0.267 65 G C 1.382 176.299 174.900 0.029 0.000 1.406 65 G CA 0.298 45.431 45.100 0.055 0.000 1.048 65 G HN 0.360 nan 8.290 nan 0.000 0.548 66 A N -0.806 121.984 122.820 -0.050 0.000 1.908 66 A HA 0.025 4.345 4.320 0.000 0.000 0.218 66 A C 2.572 180.188 177.584 0.053 0.000 1.181 66 A CA 2.601 54.590 52.037 -0.081 0.000 0.627 66 A CB -1.260 17.500 19.000 -0.400 0.000 0.818 66 A HN 1.061 nan 8.150 nan 0.000 0.445 67 G N -0.780 108.034 108.800 0.022 0.000 2.433 67 G HA2 0.013 3.973 3.960 0.000 0.000 0.216 67 G HA3 0.013 3.973 3.960 0.000 0.000 0.216 67 G C 1.554 176.523 174.900 0.114 0.000 1.186 67 G CA 1.290 46.450 45.100 0.100 0.000 0.779 67 G HN 0.749 nan 8.290 nan 0.000 0.543 68 G N 0.736 109.594 108.800 0.096 0.000 2.408 68 G HA2 -0.111 3.849 3.960 0.000 0.000 0.217 68 G HA3 -0.111 3.849 3.960 0.000 0.000 0.217 68 G C 1.630 176.591 174.900 0.103 0.000 1.150 68 G CA 0.833 45.994 45.100 0.101 0.000 0.776 68 G HN 0.319 nan 8.290 nan 0.000 0.542 69 I N 1.708 122.338 120.570 0.100 0.000 2.353 69 I HA 0.006 4.176 4.170 0.000 0.000 0.248 69 I C 3.179 179.302 176.117 0.011 0.000 1.119 69 I CA 0.913 62.277 61.300 0.106 0.000 1.417 69 I CB -1.275 36.800 38.000 0.124 0.000 1.078 69 I HN 0.240 nan 8.210 nan 0.000 0.421 70 A N 1.123 123.906 122.820 -0.062 0.000 1.902 70 A HA -0.112 4.208 4.320 0.000 0.000 0.217 70 A C 2.595 180.157 177.584 -0.038 0.000 1.181 70 A CA 1.927 53.801 52.037 -0.271 0.000 0.623 70 A CB -0.745 18.076 19.000 -0.300 0.000 0.818 70 A HN 0.390 nan 8.150 nan 0.000 0.443 71 A N -0.423 122.426 122.820 0.049 0.000 1.883 71 A HA -0.088 4.232 4.320 0.000 0.000 0.217 71 A C 2.150 179.766 177.584 0.053 0.000 1.186 71 A CA 1.791 53.866 52.037 0.063 0.000 0.624 71 A CB -0.685 18.360 19.000 0.076 0.000 0.822 71 A HN 0.684 nan 8.150 nan 0.000 0.444 72 L N -1.653 119.614 121.223 0.072 0.000 2.012 72 L HA -0.188 4.152 4.340 0.000 0.000 0.210 72 L C 2.353 179.251 176.870 0.047 0.000 1.073 72 L CA 2.527 57.409 54.840 0.070 0.000 0.748 72 L CB -0.808 41.327 42.059 0.126 0.000 0.891 72 L HN 0.541 nan 8.230 nan 0.000 0.431 73 Y N 0.224 120.485 120.300 -0.065 0.000 2.145 73 Y HA -0.244 4.306 4.550 0.000 0.000 0.286 73 Y C 2.434 178.315 175.900 -0.032 0.000 1.145 73 Y CA 2.071 60.126 58.100 -0.076 0.000 1.148 73 Y CB -0.059 38.309 38.460 -0.153 0.000 0.981 73 Y HN 0.275 nan 8.280 nan 0.000 0.507 74 E N 0.414 120.660 120.200 0.077 0.000 2.110 74 E HA -0.178 4.172 4.350 0.000 0.000 0.193 74 E C 2.315 178.858 176.600 -0.096 0.000 0.988 74 E CA 1.307 57.711 56.400 0.007 0.000 0.804 74 E CB -0.500 29.250 29.700 0.083 0.000 0.745 74 E HN 0.564 nan 8.360 nan 0.000 0.458 75 L N 0.202 121.377 121.223 -0.080 0.000 2.131 75 L HA -0.094 4.246 4.340 0.000 0.000 0.210 75 L C 2.460 179.257 176.870 -0.121 0.000 1.092 75 L CA 1.175 55.956 54.840 -0.098 0.000 0.759 75 L CB -0.672 41.352 42.059 -0.058 0.000 0.903 75 L HN 0.178 nan 8.230 nan 0.000 0.435 76 G N -0.183 108.522 108.800 -0.159 0.000 2.402 76 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 76 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 76 G C 1.731 176.499 174.900 -0.219 0.000 1.162 76 G CA 0.295 45.280 45.100 -0.192 0.000 0.777 76 G HN 0.265 nan 8.290 nan 0.000 0.539 77 R N -0.183 120.141 120.500 -0.293 0.000 2.091 77 R HA 0.043 4.383 4.340 0.000 0.000 0.238 77 R C 2.609 178.823 176.300 -0.143 0.000 1.136 77 R CA 0.955 56.916 56.100 -0.232 0.000 0.959 77 R CB -0.512 29.648 30.300 -0.233 0.000 0.856 77 R HN 0.332 nan 8.270 nan 0.000 0.437 78 L N 0.115 121.257 121.223 -0.135 0.000 2.056 78 L HA -0.124 4.216 4.340 0.000 0.000 0.207 78 L C 2.737 179.550 176.870 -0.096 0.000 1.078 78 L CA 1.144 55.913 54.840 -0.118 0.000 0.749 78 L CB -0.657 41.314 42.059 -0.146 0.000 0.901 78 L HN 0.238 nan 8.230 nan 0.000 0.433 79 A N 0.246 123.011 122.820 -0.092 0.000 1.940 79 A HA -0.217 4.103 4.320 0.000 0.000 0.219 79 A C 2.475 180.033 177.584 -0.043 0.000 1.176 79 A CA 1.801 53.806 52.037 -0.053 0.000 0.631 79 A CB -0.690 18.283 19.000 -0.045 0.000 0.814 79 A HN 0.422 nan 8.150 nan 0.000 0.446 80 A N -0.447 122.335 122.820 -0.064 0.000 2.125 80 A HA -0.041 4.279 4.320 0.000 0.000 0.219 80 A C 2.225 179.787 177.584 -0.037 0.000 1.156 80 A CA 2.150 54.156 52.037 -0.052 0.000 0.671 80 A CB -1.107 17.852 19.000 -0.068 0.000 0.794 80 A HN 0.828 nan 8.150 nan 0.000 0.459 81 T N -2.455 112.075 114.554 -0.040 0.000 3.100 81 T HA 0.349 4.699 4.350 0.000 0.000 0.253 81 T C 0.553 175.246 174.700 -0.013 0.000 1.118 81 T CA -0.168 61.914 62.100 -0.029 0.000 1.058 81 T CB -0.509 68.336 68.868 -0.039 0.000 0.953 81 T HN 0.228 nan 8.240 nan 0.000 0.515 82 L N 2.740 123.962 121.223 -0.003 0.000 2.436 82 L HA 0.403 4.743 4.340 0.000 0.000 0.265 82 L C -1.749 175.133 176.870 0.020 0.000 1.168 82 L CA -2.386 52.468 54.840 0.023 0.000 0.815 82 L CB 0.510 42.599 42.059 0.051 0.000 1.109 82 L HN 0.087 nan 8.230 nan 0.000 0.462 83 P HA 0.135 nan 4.420 nan 0.000 0.277 83 P C -0.964 176.347 177.300 0.017 0.000 1.271 83 P CA -0.608 62.502 63.100 0.018 0.000 0.795 83 P CB 0.590 32.301 31.700 0.019 0.000 1.101 84 A N -0.008 122.819 122.820 0.011 0.000 2.567 84 A HA 0.377 4.697 4.320 0.000 0.000 0.240 84 A C 1.445 179.036 177.584 0.011 0.000 1.053 84 A CA 0.954 52.996 52.037 0.009 0.000 0.755 84 A CB -1.676 17.327 19.000 0.005 0.000 0.978 84 A HN 0.916 nan 8.150 nan 0.000 0.507 85 G N 1.568 110.374 108.800 0.011 0.000 2.195 85 G HA2 -0.184 3.776 3.960 0.000 0.000 0.246 85 G HA3 -0.184 3.776 3.960 0.000 0.000 0.246 85 G C 0.508 175.416 174.900 0.014 0.000 0.984 85 G CA 0.443 45.548 45.100 0.009 0.000 0.633 85 G HN 1.189 nan 8.290 nan 0.000 0.525 86 S N -0.422 115.294 115.700 0.027 0.000 2.718 86 S HA 0.912 5.382 4.470 0.000 0.000 0.300 86 S C 0.457 175.097 174.600 0.065 0.000 1.117 86 S CA 0.323 58.553 58.200 0.049 0.000 1.002 86 S CB 1.934 65.180 63.200 0.076 0.000 1.092 86 S HN 1.810 nan 8.310 nan 0.000 0.542 87 G N -0.025 108.842 108.800 0.112 0.000 2.356 87 G HA2 0.494 4.454 3.960 0.000 0.000 0.294 87 G HA3 0.494 4.454 3.960 0.000 0.000 0.294 87 G C -2.095 172.919 174.900 0.190 0.000 1.423 87 G CA -0.764 44.402 45.100 0.110 0.000 0.806 87 G HN 0.600 nan 8.290 nan 0.000 0.527 88 I N 1.053 121.706 120.570 0.139 0.000 2.465 88 I HA 0.358 4.528 4.170 0.000 0.000 0.291 88 I C -1.197 174.989 176.117 0.114 0.000 1.014 88 I CA -0.726 60.672 61.300 0.163 0.000 1.093 88 I CB 2.264 40.322 38.000 0.096 0.000 1.267 88 I HN 0.435 nan 8.210 nan 0.000 0.431 89 D N 6.445 126.928 120.400 0.138 0.000 2.308 89 D HA 0.414 5.054 4.640 0.000 0.000 0.242 89 D C -1.365 175.019 176.300 0.139 0.000 1.059 89 D CA -0.283 53.785 54.000 0.114 0.000 0.830 89 D CB 2.340 43.206 40.800 0.109 0.000 1.161 89 D HN 0.140 nan 8.370 nan 0.000 0.494 90 V N 4.312 124.291 119.914 0.108 0.000 2.448 90 V HA 0.225 4.345 4.120 0.000 0.000 0.295 90 V C -0.084 176.066 176.094 0.093 0.000 1.025 90 V CA -0.831 61.531 62.300 0.103 0.000 0.859 90 V CB 1.692 33.563 31.823 0.081 0.000 0.988 90 V HN 0.505 nan 8.190 nan 0.000 0.431 91 Q N 4.912 124.769 119.800 0.095 0.000 2.331 91 Q HA 0.541 4.881 4.340 0.000 0.000 0.257 91 Q C -0.716 175.287 176.000 0.005 0.000 0.957 91 Q CA -0.114 55.707 55.803 0.030 0.000 0.923 91 Q CB 2.278 31.067 28.738 0.085 0.000 1.212 91 Q HN 0.643 nan 8.270 nan 0.000 0.443 92 I N 3.290 123.850 120.570 -0.016 0.000 2.321 92 I HA 0.250 4.420 4.170 0.000 0.000 0.291 92 I C -0.531 175.580 176.117 -0.009 0.000 0.998 92 I CA -0.828 60.496 61.300 0.042 0.000 1.227 92 I CB 0.612 38.635 38.000 0.039 0.000 1.368 92 I HN 0.426 nan 8.210 nan 0.000 0.466 93 Y N 4.572 124.873 120.300 0.002 0.000 2.327 93 Y HA 0.415 4.965 4.550 0.000 0.000 0.336 93 Y C 0.255 176.170 175.900 0.025 0.000 1.035 93 Y CA -0.423 57.691 58.100 0.024 0.000 1.165 93 Y CB 1.180 39.658 38.460 0.030 0.000 1.181 93 Y HN 0.462 nan 8.280 nan 0.000 0.494 94 E N 2.055 122.364 120.200 0.180 0.000 2.361 94 E HA 0.515 4.865 4.350 0.000 0.000 0.270 94 E C -0.592 176.153 176.600 0.241 0.000 0.911 94 E CA -0.350 56.133 56.400 0.137 0.000 0.818 94 E CB 1.192 30.857 29.700 -0.058 0.000 1.332 94 E HN 0.627 nan 8.360 nan 0.000 0.402 95 A N 3.752 126.679 122.820 0.179 0.000 2.072 95 A HA 0.038 4.358 4.320 0.000 0.000 0.216 95 A C 0.825 178.494 177.584 0.142 0.000 1.156 95 A CA 0.525 52.654 52.037 0.153 0.000 0.701 95 A CB -0.164 18.917 19.000 0.135 0.000 0.816 95 A HN 0.533 nan 8.150 nan 0.000 0.458 96 D N 0.468 120.960 120.400 0.153 0.000 2.358 96 D HA 0.143 4.784 4.640 0.000 0.000 0.258 96 D C -1.417 174.990 176.300 0.178 0.000 1.223 96 D CA -2.092 51.989 54.000 0.135 0.000 0.886 96 D CB 1.157 42.024 40.800 0.112 0.000 1.120 96 D HN 0.109 nan 8.370 nan 0.000 0.482 97 P HA -0.075 nan 4.420 nan 0.000 0.223 97 P C 0.211 177.590 177.300 0.132 0.000 1.151 97 P CA 0.682 63.844 63.100 0.102 0.000 0.787 97 P CB 0.479 32.200 31.700 0.035 0.000 0.788 98 D N -0.518 119.946 120.400 0.106 0.000 2.340 98 D HA 0.008 4.648 4.640 0.000 0.000 0.220 98 D C 0.773 177.113 176.300 0.067 0.000 1.039 98 D CA 0.309 54.356 54.000 0.079 0.000 0.866 98 D CB -0.023 40.814 40.800 0.062 0.000 0.913 98 D HN 0.117 nan 8.370 nan 0.000 0.523 99 S N 0.470 116.197 115.700 0.045 0.000 2.558 99 S HA -0.054 4.416 4.470 0.000 0.000 0.288 99 S C 1.415 175.920 174.600 -0.159 0.000 1.318 99 S CA -0.647 57.498 58.200 -0.092 0.000 1.056 99 S CB 0.251 63.241 63.200 -0.351 0.000 0.853 99 S HN 0.243 nan 8.310 nan 0.000 0.505 100 F N 4.065 123.932 119.950 -0.139 0.000 2.307 100 F HA -0.050 4.477 4.527 0.000 0.000 0.301 100 F C 1.335 176.994 175.800 -0.237 0.000 1.076 100 F CA 1.065 58.979 58.000 -0.143 0.000 1.383 100 F CB -0.521 38.407 39.000 -0.120 0.000 1.055 100 F HN 0.504 nan 8.300 nan 0.000 0.526 101 L N -0.073 120.336 121.223 -1.356 0.000 2.275 101 L HA -0.139 4.201 4.340 0.000 0.000 0.215 101 L C 1.559 178.026 176.870 -0.672 0.000 1.119 101 L CA 1.236 55.332 54.840 -1.240 0.000 0.790 101 L CB -0.807 40.433 42.059 -1.364 0.000 0.919 101 L HN 0.319 nan 8.230 nan 0.000 0.443 102 H N -2.566 116.343 119.070 -0.269 0.000 2.517 102 H HA 0.057 4.613 4.556 0.000 0.000 0.282 102 H C 0.133 175.417 175.328 -0.074 0.000 1.023 102 H CA -0.131 55.835 56.048 -0.136 0.000 1.169 102 H CB 0.349 30.050 29.762 -0.102 0.000 1.454 102 H HN 0.069 nan 8.280 nan 0.000 0.556 103 D N 0.710 121.114 120.400 0.007 0.000 2.891 103 D HA 0.118 4.758 4.640 0.000 0.000 0.312 103 D C 0.099 176.425 176.300 0.043 0.000 1.354 103 D CA -0.253 53.769 54.000 0.037 0.000 0.838 103 D CB 0.223 41.051 40.800 0.047 0.000 1.117 103 D HN 0.168 nan 8.370 nan 0.000 0.473 110 I N 1.541 121.971 120.570 -0.234 0.000 2.439 110 I HA 0.376 4.546 4.170 0.000 0.000 0.283 110 I C -0.064 176.029 176.117 -0.040 0.000 1.023 110 I CA -0.408 60.797 61.300 -0.160 0.000 1.100 110 I CB 1.895 39.857 38.000 -0.064 0.000 1.238 110 I HN 0.677 nan 8.210 nan 0.000 0.445 111 K N 5.573 125.977 120.400 0.007 0.000 2.183 111 K HA 0.466 4.786 4.320 0.000 0.000 0.274 111 K C 0.462 177.057 176.600 -0.008 0.000 1.009 111 K CA -0.413 55.903 56.287 0.049 0.000 0.888 111 K CB 1.658 34.216 32.500 0.096 0.000 1.078 111 K HN 0.540 nan 8.250 nan 0.000 0.459 112 V N 1.249 121.172 119.914 0.015 0.000 3.562 112 V HA 0.276 4.396 4.120 0.000 0.000 0.270 112 V C 0.601 176.707 176.094 0.021 0.000 1.418 112 V CA -0.293 62.011 62.300 0.007 0.000 1.033 112 V CB -0.086 31.753 31.823 0.026 0.000 0.820 112 V HN 0.750 nan 8.190 nan 0.000 0.441 113 R N 1.440 121.957 120.500 0.029 0.000 2.484 113 R HA 0.397 4.737 4.340 0.000 0.000 0.293 113 R C 1.312 177.634 176.300 0.037 0.000 1.023 113 R CA 1.295 57.417 56.100 0.036 0.000 1.037 113 R CB 0.146 30.466 30.300 0.034 0.000 0.951 113 R HN 0.980 nan 8.270 nan 0.000 0.418 114 G N 3.578 112.409 108.800 0.052 0.000 2.179 114 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 114 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 114 G C 0.364 175.318 174.900 0.091 0.000 0.977 114 G CA 0.337 45.478 45.100 0.068 0.000 0.641 114 G HN 0.590 nan 8.290 nan 0.000 0.533 115 L N -0.233 121.029 121.223 0.065 0.000 2.910 115 L HA 0.358 4.698 4.340 0.000 0.000 0.252 115 L C 0.750 177.657 176.870 0.062 0.000 1.195 115 L CA -0.016 54.853 54.840 0.049 0.000 1.003 115 L CB 0.268 42.329 42.059 0.004 0.000 1.328 115 L HN 0.093 nan 8.230 nan 0.000 0.540 116 K N 1.110 121.570 120.400 0.101 0.000 2.259 116 K HA 0.711 5.031 4.320 0.000 0.000 0.252 116 K C -0.378 176.345 176.600 0.205 0.000 0.936 116 K CA -0.424 55.933 56.287 0.117 0.000 0.810 116 K CB 2.735 35.292 32.500 0.095 0.000 1.143 116 K HN -0.066 nan 8.250 nan 0.000 0.427 117 A N 2.299 125.222 122.820 0.172 0.000 3.030 117 A HA 0.578 4.898 4.320 0.000 0.000 0.335 117 A C 0.576 178.228 177.584 0.114 0.000 1.089 117 A CA 0.071 52.236 52.037 0.214 0.000 0.807 117 A CB -0.147 18.926 19.000 0.121 0.000 1.099 117 A HN 0.934 nan 8.150 nan 0.000 0.474 118 G N 1.907 110.778 108.800 0.119 0.000 2.565 118 G HA2 -0.350 3.610 3.960 0.000 0.000 0.295 118 G HA3 -0.350 3.610 3.960 0.000 0.000 0.295 118 G C 0.912 175.893 174.900 0.136 0.000 1.165 118 G CA 0.679 45.844 45.100 0.110 0.000 0.977 118 G HN 0.744 nan 8.290 nan 0.000 0.546 119 R N -0.121 120.378 120.500 -0.002 0.000 2.310 119 R HA 0.324 4.664 4.340 0.000 0.000 0.202 119 R C 0.351 176.585 176.300 -0.110 0.000 0.933 119 R CA 0.272 56.250 56.100 -0.203 0.000 1.054 119 R CB 0.289 30.336 30.300 -0.421 0.000 0.985 119 R HN 0.237 nan 8.270 nan 0.000 0.489 120 V N 1.160 121.072 119.914 -0.004 0.000 2.353 120 V HA 0.156 4.276 4.120 0.000 0.000 0.264 120 V C -0.087 176.062 176.094 0.091 0.000 1.049 120 V CA -0.125 62.202 62.300 0.045 0.000 0.896 120 V CB 1.154 32.992 31.823 0.026 0.000 1.025 120 V HN 0.009 nan 8.190 nan 0.000 0.475 121 S N 4.310 120.082 115.700 0.121 0.000 2.720 121 S HA 0.784 5.254 4.470 0.000 0.000 0.278 121 S C -0.455 174.177 174.600 0.053 0.000 1.172 121 S CA -0.065 58.202 58.200 0.112 0.000 1.019 121 S CB 1.228 64.556 63.200 0.214 0.000 1.049 121 S HN 1.018 nan 8.310 nan 0.000 0.483 122 A N 3.368 126.189 122.820 0.001 0.000 2.325 122 A HA 0.952 5.272 4.320 0.000 0.000 0.333 122 A C -0.131 177.377 177.584 -0.127 0.000 1.155 122 A CA -0.514 51.486 52.037 -0.062 0.000 0.814 122 A CB 1.384 20.357 19.000 -0.046 0.000 1.206 122 A HN 1.374 nan 8.150 nan 0.000 0.482 123 A N 1.324 123.995 122.820 -0.250 0.000 2.319 123 A HA 0.602 4.922 4.320 0.000 0.000 0.310 123 A C -0.938 176.391 177.584 -0.424 0.000 1.152 123 A CA -0.427 51.406 52.037 -0.340 0.000 0.783 123 A CB 0.649 19.320 19.000 -0.548 0.000 1.184 123 A HN 1.470 nan 8.150 nan 0.000 0.474 124 L N 4.203 125.258 121.223 -0.281 0.000 2.257 124 L HA 0.585 4.925 4.340 0.000 0.000 0.290 124 L C -0.702 176.023 176.870 -0.241 0.000 1.044 124 L CA -0.080 54.615 54.840 -0.241 0.000 0.810 124 L CB 1.293 43.290 42.059 -0.103 0.000 1.193 124 L HN 0.391 nan 8.230 nan 0.000 0.425 125 V N 6.351 126.027 119.914 -0.396 0.000 2.406 125 V HA 0.477 4.597 4.120 0.000 0.000 0.272 125 V C -0.194 175.776 176.094 -0.205 0.000 1.043 125 V CA -0.246 61.809 62.300 -0.408 0.000 0.915 125 V CB 0.431 31.904 31.823 -0.583 0.000 0.988 125 V HN 1.063 nan 8.190 nan 0.000 0.466 126 H N 2.209 121.141 119.070 -0.230 0.000 2.966 126 H HA 0.530 5.086 4.556 0.000 0.000 0.330 126 H C -0.267 174.976 175.328 -0.142 0.000 1.292 126 H CA -1.006 54.938 56.048 -0.173 0.000 1.127 126 H CB 1.173 30.857 29.762 -0.129 0.000 1.863 126 H HN 0.217 nan 8.280 nan 0.000 0.543 127 N N -0.464 118.235 118.700 -0.001 0.000 2.235 127 N HA 0.213 4.953 4.740 0.000 0.000 0.209 127 N C 0.537 176.082 175.510 0.058 0.000 1.122 127 N CA 0.708 53.735 53.050 -0.038 0.000 0.845 127 N CB 1.573 40.037 38.487 -0.038 0.000 1.004 127 N HN 0.929 nan 8.380 nan 0.000 0.499 128 G N 0.607 109.589 108.800 0.304 0.000 2.813 128 G HA2 -0.182 3.778 3.960 0.000 0.000 0.194 128 G HA3 -0.182 3.778 3.960 0.000 0.000 0.194 128 G C -0.568 174.428 174.900 0.161 0.000 1.010 128 G CA -0.394 44.837 45.100 0.218 0.000 0.771 128 G HN 0.287 nan 8.290 nan 0.000 0.485 129 D N 1.254 121.718 120.400 0.106 0.000 2.461 129 D HA 0.579 5.219 4.640 0.000 0.000 0.240 129 D C -1.299 174.844 176.300 -0.262 0.000 1.094 129 D CA -2.142 51.812 54.000 -0.076 0.000 0.868 129 D CB 2.127 42.908 40.800 -0.031 0.000 1.062 129 D HN 0.042 nan 8.370 nan 0.000 0.530 130 P HA 0.010 nan 4.420 nan 0.000 0.228 130 P C 0.768 177.919 177.300 -0.249 0.000 1.151 130 P CA 0.473 63.208 63.100 -0.607 0.000 0.770 130 P CB 0.254 31.614 31.700 -0.567 0.000 0.786 131 A N -1.116 121.606 122.820 -0.163 0.000 2.238 131 A HA 0.139 4.459 4.320 0.000 0.000 0.208 131 A C 1.020 178.567 177.584 -0.061 0.000 1.177 131 A CA 0.576 52.559 52.037 -0.091 0.000 0.804 131 A CB -0.363 18.599 19.000 -0.063 0.000 0.823 131 A HN 0.087 nan 8.150 nan 0.000 0.482 132 S N 0.251 115.915 115.700 -0.060 0.000 2.112 132 S HA 0.491 4.961 4.470 0.000 0.000 0.151 132 S C 0.377 174.971 174.600 -0.011 0.000 1.723 132 S CA -0.304 57.882 58.200 -0.024 0.000 1.263 132 S CB 0.685 63.880 63.200 -0.009 0.000 1.194 132 S HN 0.599 nan 8.310 nan 0.000 0.419 133 G N 0.508 109.295 108.800 -0.022 0.000 2.547 133 G HA2 0.424 4.384 3.960 0.000 0.000 0.291 133 G HA3 0.424 4.384 3.960 0.000 0.000 0.291 133 G C -0.075 174.803 174.900 -0.037 0.000 1.211 133 G CA -0.398 44.690 45.100 -0.020 0.000 0.950 133 G HN 0.297 nan 8.290 nan 0.000 0.504 134 D N -1.666 118.665 120.400 -0.115 0.000 2.369 134 D HA 0.193 4.833 4.640 0.000 0.000 0.231 134 D C 1.044 177.292 176.300 -0.087 0.000 0.967 134 D CA 1.100 54.998 54.000 -0.170 0.000 0.905 134 D CB 0.627 41.084 40.800 -0.572 0.000 1.044 134 D HN 0.370 nan 8.370 nan 0.000 0.487 135 T N -0.863 113.593 114.554 -0.164 0.000 2.718 135 T HA 0.459 4.809 4.350 0.000 0.000 0.306 135 T C -2.006 172.547 174.700 -0.246 0.000 1.485 135 T CA -0.654 61.374 62.100 -0.119 0.000 0.997 135 T CB 1.009 69.854 68.868 -0.037 0.000 1.504 135 T HN -0.251 nan 8.240 nan 0.000 0.497 136 I N 2.620 123.073 120.570 -0.195 0.000 2.465 136 I HA 0.390 4.560 4.170 0.000 0.000 0.291 136 I C -0.858 175.121 176.117 -0.231 0.000 1.014 136 I CA -0.771 60.375 61.300 -0.257 0.000 1.093 136 I CB 1.470 39.400 38.000 -0.117 0.000 1.267 136 I HN 0.734 nan 8.210 nan 0.000 0.431 137 Y N 3.840 123.817 120.300 -0.538 0.000 2.341 137 Y HA 0.272 4.822 4.550 0.000 0.000 0.340 137 Y C 0.694 176.220 175.900 -0.624 0.000 0.997 137 Y CA -1.029 56.447 58.100 -1.040 0.000 1.149 137 Y CB 1.535 38.889 38.460 -1.842 0.000 1.171 137 Y HN 0.399 nan 8.280 nan 0.000 0.494 138 E N 3.693 123.812 120.200 -0.136 0.000 1.996 138 E HA 0.081 4.431 4.350 0.000 0.000 0.280 138 E C 0.461 177.173 176.600 0.187 0.000 1.092 138 E CA -0.021 56.414 56.400 0.058 0.000 0.862 138 E CB 1.494 31.278 29.700 0.140 0.000 1.066 138 E HN 0.597 nan 8.360 nan 0.000 0.396 139 V N 2.274 122.288 119.914 0.167 0.000 2.719 139 V HA -0.020 4.100 4.120 0.000 0.000 0.252 139 V C 1.327 177.746 176.094 0.542 0.000 1.065 139 V CA 1.773 64.303 62.300 0.383 0.000 1.086 139 V CB -0.048 31.903 31.823 0.214 0.000 0.700 139 V HN 0.594 nan 8.190 nan 0.000 0.467 140 G N -0.871 108.138 108.800 0.348 0.000 3.410 140 G HA2 0.553 4.513 3.960 0.000 0.000 0.189 140 G HA3 0.553 4.513 3.960 0.000 0.000 0.189 140 G C 0.227 175.121 174.900 -0.010 0.000 1.404 140 G CA 0.119 45.282 45.100 0.105 0.000 0.898 140 G HN 0.462 nan 8.290 nan 0.000 0.650 141 A N 0.065 122.865 122.820 -0.034 0.000 2.540 141 A HA 0.455 4.775 4.320 0.000 0.000 0.239 141 A C 0.841 178.438 177.584 0.022 0.000 1.061 141 A CA 1.298 53.320 52.037 -0.025 0.000 0.758 141 A CB -0.208 18.881 19.000 0.148 0.000 0.991 141 A HN 1.093 nan 8.150 nan 0.000 0.502 142 M N 1.210 120.649 119.600 -0.267 0.000 2.075 142 M HA 0.271 4.751 4.480 0.000 0.000 0.358 142 M C 0.122 175.998 176.300 -0.706 0.000 0.855 142 M CA -0.177 54.962 55.300 -0.268 0.000 1.148 142 M CB 0.552 33.052 32.600 -0.166 0.000 2.163 142 M HN 0.697 nan 8.290 nan 0.000 0.734 143 R N 0.720 120.468 120.500 -1.253 0.000 2.604 143 R HA 0.684 5.024 4.340 0.000 0.000 0.281 143 R C -2.142 173.568 176.300 -0.982 0.000 1.020 143 R CA -0.455 55.029 56.100 -1.027 0.000 0.899 143 R CB 1.173 30.838 30.300 -1.058 0.000 1.205 143 R HN 0.095 nan 8.270 nan 0.000 0.450 144 F N 1.846 121.915 119.950 0.198 0.000 2.507 144 F HA 0.436 4.963 4.527 0.000 0.000 0.328 144 F C -2.209 173.745 175.800 0.257 0.000 1.136 144 F CA -2.711 55.417 58.000 0.212 0.000 0.930 144 F CB 2.378 41.417 39.000 0.065 0.000 1.166 144 F HN 0.294 nan 8.300 nan 0.000 0.436 145 P HA -0.013 nan 4.420 nan 0.000 0.266 145 P C 0.786 178.212 177.300 0.209 0.000 1.195 145 P CA 0.189 63.181 63.100 -0.180 0.000 0.768 145 P CB 0.861 31.952 31.700 -1.015 0.000 0.838 146 E N 2.792 123.099 120.200 0.178 0.000 2.085 146 E HA -0.194 4.156 4.350 0.000 0.000 0.194 146 E C 1.266 177.916 176.600 0.084 0.000 0.994 146 E CA 1.132 57.630 56.400 0.162 0.000 0.801 146 E CB -0.217 29.555 29.700 0.120 0.000 0.743 146 E HN 0.549 nan 8.360 nan 0.000 0.453 147 I N -1.956 118.557 120.570 -0.096 0.000 3.806 147 I HA 0.289 4.459 4.170 0.000 0.000 0.321 147 I C 0.481 176.701 176.117 0.170 0.000 1.315 147 I CA -0.197 61.079 61.300 -0.041 0.000 1.148 147 I CB 0.389 38.317 38.000 -0.119 0.000 1.028 147 I HN -0.107 nan 8.210 nan 0.000 0.415 148 A N 1.654 124.619 122.820 0.240 0.000 2.981 148 A HA 0.473 4.793 4.320 0.000 0.000 0.280 148 A C 1.672 179.564 177.584 0.513 0.000 1.797 148 A CA 0.326 52.671 52.037 0.515 0.000 1.456 148 A CB -0.871 18.333 19.000 0.339 0.000 1.057 148 A HN 0.606 nan 8.150 nan 0.000 0.602 149 G N 0.908 110.004 108.800 0.493 0.000 2.422 149 G HA2 -0.152 3.808 3.960 0.000 0.000 0.218 149 G HA3 -0.152 3.808 3.960 0.000 0.000 0.218 149 G C 1.260 176.348 174.900 0.314 0.000 1.146 149 G CA 1.152 46.487 45.100 0.392 0.000 0.769 149 G HN 0.615 nan 8.290 nan 0.000 0.547 150 L N 0.808 122.204 121.223 0.288 0.000 2.131 150 L HA 0.105 4.445 4.340 0.000 0.000 0.206 150 L C 2.934 179.921 176.870 0.195 0.000 1.087 150 L CA 1.974 56.911 54.840 0.162 0.000 0.767 150 L CB -0.811 41.374 42.059 0.211 0.000 0.917 150 L HN 0.153 nan 8.230 nan 0.000 0.441 151 T N -1.171 113.601 114.554 0.365 0.000 2.635 151 T HA -0.267 4.083 4.350 0.000 0.000 0.267 151 T C 1.453 176.183 174.700 0.050 0.000 1.040 151 T CA 2.377 64.682 62.100 0.343 0.000 1.156 151 T CB -0.585 68.354 68.868 0.117 0.000 0.863 151 T HN 0.498 nan 8.240 nan 0.000 0.430 152 W N 0.700 122.120 121.300 0.200 0.000 2.402 152 W HA -0.026 4.634 4.660 0.000 0.000 0.286 152 W C 2.458 178.996 176.519 0.032 0.000 1.221 152 W CA 0.515 57.902 57.345 0.069 0.000 1.257 152 W CB -0.453 29.030 29.460 0.039 0.000 1.120 152 W HN 0.437 nan 8.180 nan 0.000 0.551 153 H N -0.524 118.603 119.070 0.095 0.000 2.289 153 H HA -0.253 4.303 4.556 0.000 0.000 0.296 153 H C 1.725 176.956 175.328 -0.162 0.000 1.091 153 H CA 2.364 58.355 56.048 -0.095 0.000 1.274 153 H CB -0.560 29.044 29.762 -0.264 0.000 1.364 153 H HN 0.126 nan 8.280 nan 0.000 0.490 154 Y N 0.380 120.613 120.300 -0.112 0.000 2.314 154 Y HA 0.001 4.551 4.550 0.000 0.000 0.293 154 Y C 2.969 178.838 175.900 -0.052 0.000 1.129 154 Y CA 0.851 58.793 58.100 -0.264 0.000 1.201 154 Y CB -0.813 37.352 38.460 -0.492 0.000 0.999 154 Y HN 0.327 nan 8.280 nan 0.000 0.541 155 A N -1.069 121.797 122.820 0.078 0.000 1.933 155 A HA -0.207 4.113 4.320 0.000 0.000 0.218 155 A C 2.537 180.139 177.584 0.030 0.000 1.175 155 A CA 1.915 53.855 52.037 -0.160 0.000 0.628 155 A CB -1.022 17.854 19.000 -0.207 0.000 0.814 155 A HN 0.377 nan 8.150 nan 0.000 0.444 156 S N -0.442 115.272 115.700 0.023 0.000 2.383 156 S HA 0.002 4.472 4.470 0.000 0.000 0.227 156 S C 2.184 176.738 174.600 -0.077 0.000 1.026 156 S CA 1.430 59.629 58.200 -0.001 0.000 0.981 156 S CB -0.475 62.709 63.200 -0.026 0.000 0.818 156 S HN 0.815 nan 8.310 nan 0.000 0.472 157 A N 1.247 123.966 122.820 -0.169 0.000 1.908 157 A HA 0.106 4.426 4.320 0.000 0.000 0.218 157 A C 2.419 179.903 177.584 -0.166 0.000 1.181 157 A CA 2.006 53.940 52.037 -0.171 0.000 0.627 157 A CB -1.281 17.523 19.000 -0.327 0.000 0.818 157 A HN 0.770 nan 8.150 nan 0.000 0.445 158 A N -2.348 120.315 122.820 -0.261 0.000 1.970 158 A HA 0.303 4.623 4.320 0.000 0.000 0.216 158 A C 1.562 178.761 177.584 -0.641 0.000 1.170 158 A CA 1.418 53.140 52.037 -0.525 0.000 0.645 158 A CB -0.268 18.251 19.000 -0.802 0.000 0.816 158 A HN 0.499 nan 8.150 nan 0.000 0.447 159 F N -1.791 118.146 119.950 -0.023 0.000 2.834 159 F HA 0.453 4.980 4.527 0.000 0.000 0.332 159 F C 1.164 176.951 175.800 -0.022 0.000 1.056 159 F CA 0.047 58.031 58.000 -0.027 0.000 1.178 159 F CB 0.051 39.019 39.000 -0.053 0.000 1.037 159 F HN 0.397 nan 8.300 nan 0.000 0.580 160 G N 1.009 109.882 108.800 0.121 0.000 2.705 160 G HA2 -0.203 3.757 3.960 0.000 0.000 0.686 160 G HA3 -0.203 3.757 3.960 0.000 0.000 0.686 160 G C -0.106 174.834 174.900 0.066 0.000 1.285 160 G CA -0.290 44.852 45.100 0.071 0.000 0.800 160 G HN 0.044 nan 8.290 nan 0.000 0.611 161 D N 0.515 120.932 120.400 0.028 0.000 2.219 161 D HA 0.079 4.719 4.640 0.000 0.000 0.205 161 D C 2.613 178.905 176.300 -0.012 0.000 0.970 161 D CA 1.819 55.822 54.000 0.006 0.000 0.851 161 D CB -0.204 40.591 40.800 -0.008 0.000 0.943 161 D HN 0.915 nan 8.370 nan 0.000 0.488 162 A N 0.329 123.148 122.820 -0.003 0.000 2.167 162 A HA 0.313 4.633 4.320 0.000 0.000 0.214 162 A C 1.299 178.870 177.584 -0.023 0.000 1.151 162 A CA 0.520 52.547 52.037 -0.016 0.000 0.735 162 A CB -0.242 18.754 19.000 -0.007 0.000 0.802 162 A HN 0.172 nan 8.150 nan 0.000 0.467 163 A N 1.677 124.492 122.820 -0.009 0.000 2.488 163 A HA 0.496 4.816 4.320 0.000 0.000 0.249 163 A C -2.229 175.316 177.584 -0.065 0.000 1.083 163 A CA -1.105 50.914 52.037 -0.030 0.000 0.768 163 A CB -0.145 18.842 19.000 -0.021 0.000 1.017 163 A HN 0.315 nan 8.150 nan 0.000 0.496 164 P HA 0.447 nan 4.420 nan 0.000 0.278 164 P C -0.540 176.723 177.300 -0.061 0.000 1.238 164 P CA 0.042 63.103 63.100 -0.066 0.000 0.794 164 P CB 0.955 32.627 31.700 -0.045 0.000 0.955 165 I N -1.565 118.973 120.570 -0.054 0.000 3.002 165 I HA 0.665 4.835 4.170 0.000 0.000 0.310 165 I C -0.815 175.361 176.117 0.098 0.000 1.087 165 I CA -1.460 59.853 61.300 0.023 0.000 1.017 165 I CB 2.820 40.792 38.000 -0.046 0.000 1.226 165 I HN 0.138 nan 8.210 nan 0.000 0.443 166 K N 2.160 122.683 120.400 0.205 0.000 2.385 166 K HA 0.594 4.914 4.320 0.000 0.000 0.248 166 K C -1.270 175.482 176.600 0.253 0.000 0.955 166 K CA -0.993 55.410 56.287 0.193 0.000 0.816 166 K CB 2.841 35.397 32.500 0.093 0.000 1.250 166 K HN 0.421 nan 8.250 nan 0.000 0.434 167 V N 2.762 122.728 119.914 0.087 0.000 2.529 167 V HA 0.012 4.132 4.120 0.000 0.000 0.292 167 V C 0.023 176.081 176.094 -0.061 0.000 1.028 167 V CA -0.065 62.142 62.300 -0.156 0.000 1.074 167 V CB -0.291 31.429 31.823 -0.171 0.000 0.958 167 V HN 0.550 nan 8.190 nan 0.000 0.481 168 F N 8.770 128.650 119.950 -0.116 0.000 2.538 168 F HA 0.281 4.808 4.527 0.000 0.000 0.371 168 F C -1.382 174.406 175.800 -0.021 0.000 1.087 168 F CA -1.917 56.063 58.000 -0.035 0.000 1.250 168 F CB 0.916 39.895 39.000 -0.034 0.000 1.110 168 F HN 0.377 nan 8.300 nan 0.000 0.570 169 P HA 0.027 nan 4.420 nan 0.000 0.225 169 P C -0.881 176.453 177.300 0.057 0.000 1.813 169 P CA -0.115 62.828 63.100 -0.262 0.000 1.013 169 P CB -0.207 31.314 31.700 -0.299 0.000 1.961 170 N N 2.518 121.390 118.700 0.288 0.000 2.371 170 N HA 0.137 4.877 4.740 0.000 0.000 0.243 170 N C -2.203 173.445 175.510 0.229 0.000 1.287 170 N CA -1.613 51.696 53.050 0.431 0.000 0.911 170 N CB -0.283 38.395 38.487 0.319 0.000 1.142 170 N HN 0.195 nan 8.380 nan 0.000 0.451 171 P HA 0.039 nan 4.420 nan 0.000 0.264 171 P C 0.774 178.089 177.300 0.024 0.000 1.193 171 P CA 0.580 63.685 63.100 0.009 0.000 0.763 171 P CB 0.209 31.900 31.700 -0.015 0.000 0.810 172 G N 3.344 112.056 108.800 -0.148 0.000 2.320 172 G HA2 -0.285 3.675 3.960 0.000 0.000 0.242 172 G HA3 -0.285 3.675 3.960 0.000 0.000 0.242 172 G C 1.212 176.122 174.900 0.017 0.000 1.033 172 G CA 0.050 45.142 45.100 -0.012 0.000 0.620 172 G HN 0.479 nan 8.290 nan 0.000 0.517 173 K N 0.480 120.891 120.400 0.017 0.000 2.228 173 K HA 0.284 4.604 4.320 0.000 0.000 0.202 173 K C 1.379 177.965 176.600 -0.023 0.000 1.051 173 K CA 1.486 57.777 56.287 0.007 0.000 0.960 173 K CB 0.061 32.567 32.500 0.010 0.000 0.743 173 K HN 1.067 nan 8.250 nan 0.000 0.458 174 V N -1.638 118.246 119.914 -0.049 0.000 3.074 174 V HA 0.502 4.622 4.120 0.000 0.000 0.314 174 V C -2.928 173.103 176.094 -0.105 0.000 1.117 174 V CA -3.227 59.038 62.300 -0.059 0.000 1.014 174 V CB 1.758 33.552 31.823 -0.049 0.000 1.057 174 V HN -0.226 nan 8.190 nan 0.000 0.438 175 P HA 0.313 nan 4.420 nan 0.000 0.264 175 P C -0.468 176.731 177.300 -0.168 0.000 1.193 175 P CA 0.648 63.709 63.100 -0.066 0.000 0.763 175 P CB 0.325 32.059 31.700 0.056 0.000 0.810 176 T N 2.124 116.463 114.554 -0.358 0.000 2.893 176 T HA 0.362 4.712 4.350 0.000 0.000 0.293 176 T C -0.823 173.741 174.700 -0.227 0.000 1.027 176 T CA -0.631 61.239 62.100 -0.383 0.000 0.988 176 T CB 1.545 69.979 68.868 -0.723 0.000 1.043 176 T HN 0.328 nan 8.240 nan 0.000 0.461 177 E N 1.933 122.134 120.200 0.002 0.000 2.166 177 E HA 0.556 4.906 4.350 0.000 0.000 0.275 177 E C -1.560 175.205 176.600 0.275 0.000 0.941 177 E CA -0.741 55.770 56.400 0.185 0.000 0.784 177 E CB 0.919 30.829 29.700 0.350 0.000 1.115 177 E HN 0.465 nan 8.360 nan 0.000 0.399 178 F N 5.041 125.115 119.950 0.206 0.000 2.482 178 F HA 0.528 5.055 4.527 0.000 0.000 0.331 178 F C -1.655 174.249 175.800 0.172 0.000 1.115 178 F CA -0.671 57.459 58.000 0.216 0.000 0.955 178 F CB 1.271 40.485 39.000 0.357 0.000 1.136 178 F HN 0.193 nan 8.300 nan 0.000 0.452 179 V N 7.462 127.015 119.914 -0.600 0.000 2.525 179 V HA 0.460 4.580 4.120 0.000 0.000 0.299 179 V C -1.491 174.169 176.094 -0.724 0.000 1.034 179 V CA -0.822 61.113 62.300 -0.609 0.000 0.863 179 V CB 1.585 33.125 31.823 -0.473 0.000 0.999 179 V HN 0.665 nan 8.190 nan 0.000 0.423 180 F N 4.257 123.744 119.950 -0.771 0.000 2.617 180 F HA 0.731 5.258 4.527 0.000 0.000 0.325 180 F C 0.677 176.280 175.800 -0.327 0.000 1.179 180 F CA 0.684 58.388 58.000 -0.494 0.000 0.965 180 F CB 1.486 40.251 39.000 -0.392 0.000 1.232 180 F HN 0.917 nan 8.300 nan 0.000 0.461 181 G N 5.918 114.115 108.800 -1.005 0.000 2.634 181 G HA2 -0.446 3.514 3.960 0.000 0.000 0.309 181 G HA3 -0.446 3.514 3.960 0.000 0.000 0.309 181 G C 0.797 175.457 174.900 -0.399 0.000 1.265 181 G CA 0.614 45.271 45.100 -0.738 0.000 0.998 181 G HN 1.224 nan 8.290 nan 0.000 0.551 182 N N 0.891 119.457 118.700 -0.223 0.000 2.461 182 N HA 0.042 4.782 4.740 0.000 0.000 0.188 182 N C 1.042 176.506 175.510 -0.076 0.000 1.134 182 N CA 0.933 53.902 53.050 -0.135 0.000 0.878 182 N CB 0.100 38.553 38.487 -0.057 0.000 0.972 182 N HN 0.623 nan 8.380 nan 0.000 0.456 183 R N 0.870 121.357 120.500 -0.022 0.000 2.265 183 R HA 0.421 4.761 4.340 0.000 0.000 0.314 183 R C -1.285 174.997 176.300 -0.031 0.000 1.053 183 R CA -0.463 55.682 56.100 0.075 0.000 0.931 183 R CB 0.854 31.313 30.300 0.265 0.000 1.024 183 R HN -0.111 nan 8.270 nan 0.000 0.457 184 V N 4.635 124.567 119.914 0.030 0.000 2.588 184 V HA 0.468 4.588 4.120 0.000 0.000 0.304 184 V C -0.656 175.563 176.094 0.209 0.000 1.042 184 V CA -0.808 61.529 62.300 0.063 0.000 0.877 184 V CB 2.106 33.935 31.823 0.010 0.000 0.996 184 V HN 0.802 nan 8.190 nan 0.000 0.425 185 D N 3.140 123.721 120.400 0.302 0.000 2.671 185 D HA 0.560 5.200 4.640 0.000 0.000 0.232 185 D C -0.745 175.643 176.300 0.146 0.000 1.114 185 D CA -0.677 53.478 54.000 0.257 0.000 0.858 185 D CB 2.974 43.985 40.800 0.351 0.000 1.544 185 D HN 0.396 nan 8.370 nan 0.000 0.471 186 R N 1.444 121.878 120.500 -0.111 0.000 2.534 186 R HA 0.541 4.881 4.340 0.000 0.000 0.301 186 R C -1.086 174.812 176.300 -0.670 0.000 0.961 186 R CA -0.882 55.004 56.100 -0.357 0.000 0.871 186 R CB 1.822 31.809 30.300 -0.521 0.000 1.170 186 R HN 0.530 nan 8.270 nan 0.000 0.446 187 Y N -1.612 118.254 120.300 -0.724 0.000 2.656 187 Y HA 0.698 5.248 4.550 0.000 0.000 0.334 187 Y C -1.915 173.878 175.900 -0.179 0.000 1.179 187 Y CA -1.277 56.405 58.100 -0.696 0.000 1.050 187 Y CB 1.430 38.870 38.460 -1.700 0.000 1.308 187 Y HN 0.280 nan 8.280 nan 0.000 0.456 188 V N 2.745 122.711 119.914 0.086 0.000 2.686 188 V HA 0.847 4.967 4.120 0.000 0.000 0.306 188 V C 0.204 176.463 176.094 0.276 0.000 1.065 188 V CA 0.367 62.712 62.300 0.076 0.000 0.894 188 V CB 0.915 32.800 31.823 0.104 0.000 1.004 188 V HN 2.026 nan 8.190 nan 0.000 0.424 189 G N 5.463 114.442 108.800 0.300 0.000 2.698 189 G HA2 -0.178 3.782 3.960 0.000 0.000 0.233 189 G HA3 -0.178 3.782 3.960 0.000 0.000 0.233 189 G C 0.465 175.718 174.900 0.588 0.000 1.352 189 G CA 0.166 45.494 45.100 0.380 0.000 0.879 189 G HN 1.407 nan 8.290 nan 0.000 0.567 190 S N -0.070 115.884 115.700 0.423 0.000 2.603 190 S HA 0.220 4.690 4.470 0.000 0.000 0.232 190 S C 0.279 174.996 174.600 0.195 0.000 1.016 190 S CA 0.448 58.853 58.200 0.342 0.000 0.976 190 S CB 0.377 63.694 63.200 0.195 0.000 0.921 190 S HN 0.736 nan 8.310 nan 0.000 0.516 191 D N 3.219 123.766 120.400 0.245 0.000 2.343 191 D HA 0.143 4.783 4.640 0.000 0.000 0.255 191 D C -1.564 174.872 176.300 0.227 0.000 1.187 191 D CA -1.828 52.272 54.000 0.167 0.000 0.875 191 D CB 1.571 42.468 40.800 0.161 0.000 1.136 191 D HN 0.046 nan 8.370 nan 0.000 0.469 192 P HA -0.168 nan 4.420 nan 0.000 0.221 192 P C 1.204 178.644 177.300 0.233 0.000 1.145 192 P CA 0.816 63.949 63.100 0.055 0.000 0.795 192 P CB 0.347 32.009 31.700 -0.064 0.000 0.775 193 K N 0.251 120.770 120.400 0.198 0.000 2.211 193 K HA -0.142 4.178 4.320 0.000 0.000 0.204 193 K C 0.642 177.425 176.600 0.304 0.000 1.047 193 K CA 1.376 57.784 56.287 0.202 0.000 0.935 193 K CB -0.225 32.354 32.500 0.131 0.000 0.728 193 K HN -0.008 nan 8.250 nan 0.000 0.452 194 D N -0.644 120.001 120.400 0.407 0.000 2.463 194 D HA 0.043 4.683 4.640 0.000 0.000 0.224 194 D C -0.889 175.862 176.300 0.751 0.000 1.174 194 D CA 0.054 54.354 54.000 0.499 0.000 0.829 194 D CB 0.032 41.036 40.800 0.339 0.000 0.993 194 D HN 0.124 nan 8.370 nan 0.000 0.497 195 W N 1.097 122.640 121.300 0.406 0.000 2.496 195 W HA 0.268 4.928 4.660 0.000 0.000 0.327 195 W C 1.735 178.372 176.519 0.197 0.000 1.086 195 W CA -0.866 56.640 57.345 0.268 0.000 1.222 195 W CB 0.996 30.535 29.460 0.132 0.000 1.304 195 W HN -0.096 nan 8.180 nan 0.000 0.547 196 E N 0.648 120.776 120.200 -0.120 0.000 2.153 196 E HA -0.237 4.113 4.350 0.000 0.000 0.194 196 E C -0.098 176.564 176.600 0.103 0.000 0.988 196 E CA 1.140 57.407 56.400 -0.221 0.000 0.811 196 E CB 0.141 29.435 29.700 -0.676 0.000 0.746 196 E HN 0.257 nan 8.360 nan 0.000 0.466 197 D N -0.588 119.925 120.400 0.187 0.000 2.464 197 D HA 0.145 4.785 4.640 0.000 0.000 0.243 197 D C -2.134 174.298 176.300 0.220 0.000 1.104 197 D CA -2.540 51.577 54.000 0.195 0.000 0.883 197 D CB 1.459 42.362 40.800 0.173 0.000 1.050 197 D HN -0.094 nan 8.370 nan 0.000 0.524 198 P HA -0.032 nan 4.420 nan 0.000 0.225 198 P C 0.416 177.715 177.300 -0.001 0.000 1.148 198 P CA 0.657 63.813 63.100 0.094 0.000 0.779 198 P CB 0.374 32.135 31.700 0.101 0.000 0.780 199 D N -1.220 119.197 120.400 0.027 0.000 2.336 199 D HA 0.028 4.668 4.640 0.000 0.000 0.228 199 D C 0.080 176.380 176.300 0.001 0.000 1.120 199 D CA -0.077 53.923 54.000 -0.000 0.000 0.839 199 D CB -0.453 40.361 40.800 0.023 0.000 0.932 199 D HN -0.125 nan 8.370 nan 0.000 0.509 200 S N 0.542 116.240 115.700 -0.002 0.000 2.552 200 S HA 0.039 4.509 4.470 0.000 0.000 0.289 200 S C -1.231 173.358 174.600 -0.020 0.000 1.304 200 S CA -1.034 57.188 58.200 0.036 0.000 1.063 200 S CB 0.999 64.257 63.200 0.098 0.000 0.848 200 S HN 0.112 nan 8.310 nan 0.000 0.499 201 P HA -0.042 nan 4.420 nan 0.000 0.221 201 P C 1.266 178.614 177.300 0.079 0.000 1.150 201 P CA 1.064 64.252 63.100 0.145 0.000 0.800 201 P CB -0.285 31.584 31.700 0.281 0.000 0.787 202 T N 0.768 115.332 114.554 0.017 0.000 2.708 202 T HA -0.120 4.230 4.350 0.000 0.000 0.266 202 T C 1.789 176.207 174.700 -0.471 0.000 1.037 202 T CA 0.941 62.936 62.100 -0.175 0.000 1.146 202 T CB -0.851 67.945 68.868 -0.120 0.000 0.865 202 T HN 0.001 nan 8.240 nan 0.000 0.435 203 L N 1.142 121.967 121.223 -0.663 0.000 2.131 203 L HA 0.022 4.362 4.340 0.000 0.000 0.210 203 L C 2.166 178.758 176.870 -0.463 0.000 1.092 203 L CA 1.672 56.006 54.840 -0.844 0.000 0.759 203 L CB -0.530 40.749 42.059 -1.300 0.000 0.903 203 L HN 0.138 nan 8.230 nan 0.000 0.435 204 K N -1.578 118.644 120.400 -0.297 0.000 2.026 204 K HA -0.147 4.173 4.320 0.000 0.000 0.208 204 K C 2.058 178.540 176.600 -0.196 0.000 1.048 204 K CA 1.508 57.671 56.287 -0.206 0.000 0.929 204 K CB -0.587 31.831 32.500 -0.137 0.000 0.713 204 K HN 0.243 nan 8.250 nan 0.000 0.439 205 V N 1.762 121.587 119.914 -0.149 0.000 2.427 205 V HA -0.183 3.937 4.120 0.000 0.000 0.248 205 V C 2.072 178.072 176.094 -0.156 0.000 1.051 205 V CA 1.239 63.466 62.300 -0.121 0.000 1.048 205 V CB -0.187 31.674 31.823 0.063 0.000 0.666 205 V HN 0.262 nan 8.190 nan 0.000 0.456 206 L N 1.226 122.355 121.223 -0.157 0.000 2.042 206 L HA -0.015 4.325 4.340 0.000 0.000 0.210 206 L C 2.326 179.111 176.870 -0.142 0.000 1.076 206 L CA 2.697 57.471 54.840 -0.111 0.000 0.749 206 L CB -1.346 40.601 42.059 -0.187 0.000 0.893 206 L HN 0.305 nan 8.230 nan 0.000 0.432 207 G N -1.269 107.429 108.800 -0.169 0.000 2.408 207 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 207 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 207 G C 1.529 176.351 174.900 -0.131 0.000 1.150 207 G CA 0.921 45.941 45.100 -0.133 0.000 0.776 207 G HN 0.331 nan 8.290 nan 0.000 0.542 208 V N 0.527 120.342 119.914 -0.165 0.000 2.295 208 V HA -0.179 3.941 4.120 0.000 0.000 0.246 208 V C 3.027 179.015 176.094 -0.176 0.000 1.049 208 V CA 1.665 63.867 62.300 -0.163 0.000 1.024 208 V CB -0.383 31.329 31.823 -0.185 0.000 0.648 208 V HN 0.252 nan 8.190 nan 0.000 0.447 209 V N 0.031 119.775 119.914 -0.284 0.000 2.453 209 V HA -0.172 3.948 4.120 0.000 0.000 0.247 209 V C 2.645 178.649 176.094 -0.151 0.000 1.048 209 V CA 1.681 63.766 62.300 -0.360 0.000 1.049 209 V CB -1.022 30.214 31.823 -0.978 0.000 0.672 209 V HN 0.546 nan 8.190 nan 0.000 0.457 210 A N 0.783 123.551 122.820 -0.087 0.000 1.877 210 A HA -0.115 4.206 4.320 0.000 0.000 0.216 210 A C 2.439 180.038 177.584 0.025 0.000 1.186 210 A CA 2.023 54.085 52.037 0.041 0.000 0.620 210 A CB -1.285 17.748 19.000 0.055 0.000 0.822 210 A HN 0.513 nan 8.150 nan 0.000 0.443 211 G N -0.708 108.080 108.800 -0.020 0.000 2.440 211 G HA2 -0.003 3.957 3.960 0.000 0.000 0.218 211 G HA3 -0.003 3.957 3.960 0.000 0.000 0.218 211 G C 1.497 176.391 174.900 -0.009 0.000 1.154 211 G CA 1.294 46.383 45.100 -0.019 0.000 0.767 211 G HN 0.742 nan 8.290 nan 0.000 0.552 212 G N 0.126 108.913 108.800 -0.020 0.000 2.421 212 G HA2 0.041 4.001 3.960 0.000 0.000 0.217 212 G HA3 0.041 4.001 3.960 0.000 0.000 0.217 212 G C 1.725 176.665 174.900 0.067 0.000 1.143 212 G CA 0.526 45.620 45.100 -0.011 0.000 0.784 212 G HN 0.425 nan 8.290 nan 0.000 0.541 213 L N -0.374 120.915 121.223 0.109 0.000 2.286 213 L HA 0.132 4.472 4.340 0.000 0.000 0.203 213 L C 2.676 179.631 176.870 0.142 0.000 1.068 213 L CA 0.194 55.141 54.840 0.178 0.000 0.811 213 L CB 0.026 42.211 42.059 0.209 0.000 0.989 213 L HN 0.065 nan 8.230 nan 0.000 0.467 214 V N -0.889 119.092 119.914 0.113 0.000 2.492 214 V HA 0.311 4.431 4.120 0.000 0.000 0.241 214 V C 1.365 177.497 176.094 0.063 0.000 1.041 214 V CA 0.788 63.143 62.300 0.092 0.000 1.057 214 V CB -0.653 31.230 31.823 0.101 0.000 0.711 214 V HN 0.578 nan 8.190 nan 0.000 0.468 215 G N 1.255 110.084 108.800 0.048 0.000 2.598 215 G HA2 -0.231 3.729 3.960 0.000 0.000 0.244 215 G HA3 -0.231 3.729 3.960 0.000 0.000 0.244 215 G C -0.457 174.457 174.900 0.024 0.000 1.302 215 G CA 0.048 45.164 45.100 0.027 0.000 0.903 215 G HN 0.460 nan 8.290 nan 0.000 0.575 216 N N 1.867 120.576 118.700 0.015 0.000 2.342 216 N HA 0.506 5.246 4.740 0.000 0.000 0.293 216 N C -1.399 174.119 175.510 0.012 0.000 1.026 216 N CA -1.250 51.807 53.050 0.011 0.000 0.857 216 N CB 2.453 40.942 38.487 0.004 0.000 1.256 216 N HN 0.302 nan 8.380 nan 0.000 0.484 217 P HA -0.063 nan 4.420 nan 0.000 0.229 217 P C -0.252 177.052 177.300 0.007 0.000 1.160 217 P CA 1.162 64.269 63.100 0.012 0.000 0.777 217 P CB 0.920 32.629 31.700 0.015 0.000 0.814 218 Q N -1.690 118.113 119.800 0.005 0.000 2.484 218 Q HA 0.551 4.891 4.340 0.000 0.000 0.285 218 Q C 0.396 176.396 176.000 0.000 0.000 1.097 218 Q CA -0.140 55.665 55.803 0.002 0.000 0.802 218 Q CB 2.033 30.773 28.738 0.003 0.000 1.444 218 Q HN 0.088 nan 8.270 nan 0.000 0.429 219 G N 0.914 109.713 108.800 -0.002 0.000 2.552 219 G HA2 -0.332 3.628 3.960 0.000 0.000 0.265 219 G HA3 -0.332 3.628 3.960 0.000 0.000 0.265 219 G C -0.323 174.574 174.900 -0.005 0.000 1.234 219 G CA 0.113 45.211 45.100 -0.003 0.000 0.944 219 G HN 0.735 nan 8.290 nan 0.000 0.568 220 E N 0.696 120.892 120.200 -0.007 0.000 2.442 220 E HA 0.089 4.439 4.350 0.000 0.000 0.262 220 E C 0.037 176.633 176.600 -0.008 0.000 1.004 220 E CA -0.174 56.221 56.400 -0.008 0.000 0.928 220 E CB 0.078 29.771 29.700 -0.012 0.000 0.937 220 E HN 0.404 nan 8.360 nan 0.000 0.446 221 N N 3.198 121.893 118.700 -0.008 0.000 2.414 221 N HA 0.066 4.806 4.740 0.000 0.000 0.256 221 N C 0.345 175.848 175.510 -0.012 0.000 1.029 221 N CA 0.004 53.051 53.050 -0.006 0.000 0.948 221 N CB 1.735 40.220 38.487 -0.003 0.000 1.102 221 N HN 0.397 nan 8.380 nan 0.000 0.496 222 V N -0.645 119.261 119.914 -0.013 0.000 3.477 222 V HA 0.454 4.574 4.120 0.000 0.000 0.297 222 V C 0.793 176.868 176.094 -0.031 0.000 1.433 222 V CA -0.307 61.978 62.300 -0.024 0.000 1.052 222 V CB -0.092 31.715 31.823 -0.025 0.000 0.895 222 V HN 0.466 nan 8.190 nan 0.000 0.438 223 A N 0.483 123.294 122.820 -0.015 0.000 2.371 223 A HA 0.611 4.931 4.320 0.000 0.000 0.257 223 A C 0.995 178.534 177.584 -0.074 0.000 1.089 223 A CA 0.013 52.042 52.037 -0.014 0.000 0.794 223 A CB 0.922 19.947 19.000 0.041 0.000 1.029 223 A HN 0.405 nan 8.150 nan 0.000 0.488 224 M N 0.413 119.908 119.600 -0.175 0.000 2.419 224 M HA 0.059 4.539 4.480 0.000 0.000 0.264 224 M C -0.706 175.205 176.300 -0.649 0.000 1.082 224 M CA 1.307 56.329 55.300 -0.463 0.000 1.119 224 M CB 0.021 32.190 32.600 -0.719 0.000 1.398 224 M HN 0.734 nan 8.290 nan 0.000 0.453 225 Y N 0.581 120.864 120.300 -0.029 0.000 2.837 225 Y HA 0.403 4.953 4.550 0.000 0.000 0.356 225 Y C -2.291 173.730 175.900 0.201 0.000 1.035 225 Y CA -3.073 54.982 58.100 -0.076 0.000 1.165 225 Y CB -0.329 37.908 38.460 -0.371 0.000 1.147 225 Y HN 0.082 nan 8.280 nan 0.000 0.628 226 P HA 0.243 nan 4.420 nan 0.000 0.272 226 P C -0.301 177.245 177.300 0.411 0.000 1.240 226 P CA -0.067 63.188 63.100 0.259 0.000 0.791 226 P CB 1.722 33.512 31.700 0.151 0.000 0.978 227 I N 0.110 120.833 120.570 0.256 0.000 2.436 227 I HA 0.424 4.594 4.170 0.000 0.000 0.289 227 I C 0.392 176.529 176.117 0.033 0.000 1.010 227 I CA -0.895 60.549 61.300 0.240 0.000 1.098 227 I CB 1.479 39.569 38.000 0.149 0.000 1.266 227 I HN 0.496 nan 8.210 nan 0.000 0.434 228 A N 5.419 128.202 122.820 -0.063 0.000 2.783 228 A HA -0.262 4.058 4.320 0.000 0.000 0.292 228 A C 0.902 178.330 177.584 -0.260 0.000 1.495 228 A CA 1.089 52.785 52.037 -0.568 0.000 0.787 228 A CB -1.850 16.527 19.000 -1.040 0.000 1.017 228 A HN 0.990 nan 8.150 nan 0.000 0.516 229 N N -4.107 114.559 118.700 -0.056 0.000 2.828 229 N HA -0.229 4.511 4.740 0.000 0.000 0.248 229 N C 0.166 175.667 175.510 -0.016 0.000 1.044 229 N CA 1.781 54.824 53.050 -0.012 0.000 0.851 229 N CB -2.245 36.229 38.487 -0.021 0.000 1.136 229 N HN 2.099 nan 8.380 nan 0.000 0.572 230 V N -4.105 115.798 119.914 -0.018 0.000 3.141 230 V HA 0.657 4.777 4.120 0.000 0.000 0.312 230 V C -0.063 176.044 176.094 0.021 0.000 1.157 230 V CA -1.079 61.216 62.300 -0.010 0.000 1.041 230 V CB 2.142 33.943 31.823 -0.036 0.000 1.071 230 V HN -0.143 nan 8.190 nan 0.000 0.441 231 D N 2.234 122.645 120.400 0.019 0.000 2.423 231 D HA 0.261 4.901 4.640 0.000 0.000 0.238 231 D C -1.756 174.564 176.300 0.033 0.000 1.142 231 D CA -1.361 52.660 54.000 0.034 0.000 0.884 231 D CB 1.417 42.231 40.800 0.024 0.000 1.199 231 D HN 0.423 nan 8.370 nan 0.000 0.438 232 P HA -0.181 nan 4.420 nan 0.000 0.216 232 P C 0.994 178.306 177.300 0.020 0.000 1.150 232 P CA 1.806 64.922 63.100 0.027 0.000 0.843 232 P CB 0.166 31.888 31.700 0.037 0.000 0.787 233 A N -0.079 122.759 122.820 0.030 0.000 1.948 233 A HA -0.263 4.057 4.320 0.000 0.000 0.220 233 A C 2.082 179.678 177.584 0.019 0.000 1.177 233 A CA 1.874 53.928 52.037 0.029 0.000 0.636 233 A CB -1.041 17.977 19.000 0.030 0.000 0.815 233 A HN 0.189 nan 8.150 nan 0.000 0.449 234 K N -0.663 119.743 120.400 0.010 0.000 2.103 234 K HA -0.010 4.310 4.320 0.000 0.000 0.204 234 K C 1.704 178.300 176.600 -0.006 0.000 1.052 234 K CA 1.089 57.377 56.287 0.002 0.000 0.945 234 K CB -0.201 32.295 32.500 -0.005 0.000 0.722 234 K HN 0.397 nan 8.250 nan 0.000 0.443 235 I N 1.202 121.765 120.570 -0.012 0.000 2.353 235 I HA -0.159 4.011 4.170 0.000 0.000 0.248 235 I C 2.469 178.569 176.117 -0.029 0.000 1.119 235 I CA 0.995 62.276 61.300 -0.030 0.000 1.417 235 I CB -1.374 36.601 38.000 -0.043 0.000 1.078 235 I HN 0.058 nan 8.210 nan 0.000 0.421 236 A N 1.158 123.980 122.820 0.003 0.000 1.908 236 A HA -0.168 4.152 4.320 0.000 0.000 0.218 236 A C 2.562 180.191 177.584 0.074 0.000 1.181 236 A CA 2.127 54.204 52.037 0.066 0.000 0.627 236 A CB -0.714 18.336 19.000 0.083 0.000 0.818 236 A HN 0.417 nan 8.150 nan 0.000 0.445 237 A N -0.322 122.522 122.820 0.040 0.000 1.930 237 A HA -0.000 4.320 4.320 0.000 0.000 0.217 237 A C 2.093 179.687 177.584 0.017 0.000 1.175 237 A CA 1.371 53.430 52.037 0.036 0.000 0.627 237 A CB -0.534 18.479 19.000 0.022 0.000 0.815 237 A HN 0.509 nan 8.150 nan 0.000 0.443 238 I N -0.388 120.179 120.570 -0.005 0.000 2.202 238 I HA -0.237 3.933 4.170 0.000 0.000 0.242 238 I C 2.262 178.345 176.117 -0.055 0.000 1.091 238 I CA 1.085 62.371 61.300 -0.023 0.000 1.368 238 I CB -0.355 37.631 38.000 -0.024 0.000 1.058 238 I HN 0.250 nan 8.210 nan 0.000 0.410 239 L N 0.509 121.669 121.223 -0.104 0.000 2.191 239 L HA -0.202 4.138 4.340 0.000 0.000 0.212 239 L C 1.830 178.560 176.870 -0.233 0.000 1.103 239 L CA 1.155 55.839 54.840 -0.260 0.000 0.769 239 L CB -0.551 41.235 42.059 -0.454 0.000 0.908 239 L HN 0.324 nan 8.230 nan 0.000 0.438 240 N N -0.074 118.618 118.700 -0.013 0.000 2.280 240 N HA 0.104 4.844 4.740 0.000 0.000 0.192 240 N C 0.301 175.846 175.510 0.058 0.000 1.109 240 N CA 0.104 53.227 53.050 0.122 0.000 0.855 240 N CB 0.296 38.922 38.487 0.231 0.000 0.974 240 N HN 0.169 nan 8.380 nan 0.000 0.482 241 A N -0.235 122.593 122.820 0.014 0.000 2.388 241 A HA 0.568 4.888 4.320 0.000 0.000 0.257 241 A C 1.445 179.037 177.584 0.012 0.000 1.095 241 A CA 0.168 52.214 52.037 0.014 0.000 0.791 241 A CB 0.352 19.355 19.000 0.004 0.000 1.029 241 A HN 0.308 nan 8.150 nan 0.000 0.489 242 A N 1.899 124.729 122.820 0.017 0.000 1.902 242 A HA 0.087 4.407 4.320 0.000 0.000 0.217 242 A C 1.167 178.756 177.584 0.008 0.000 1.181 242 A CA 2.059 54.105 52.037 0.015 0.000 0.623 242 A CB -0.292 18.717 19.000 0.015 0.000 0.818 242 A HN 0.829 nan 8.150 nan 0.000 0.443 243 T N 1.540 116.097 114.554 0.006 0.000 3.305 243 T HA 0.444 4.794 4.350 0.000 0.000 0.348 243 T C -2.770 171.932 174.700 0.003 0.000 1.394 243 T CA -0.971 61.131 62.100 0.004 0.000 1.549 243 T CB 1.239 70.110 68.868 0.005 0.000 0.962 243 T HN 0.213 nan 8.240 nan 0.000 0.609 244 P HA 0.395 nan 4.420 nan 0.000 0.273 244 P C -2.546 174.758 177.300 0.006 0.000 1.250 244 P CA -1.361 61.739 63.100 0.001 0.000 0.793 244 P CB -0.386 31.310 31.700 -0.007 0.000 1.011 245 P HA 0.151 nan 4.420 nan 0.000 0.269 245 P C -0.565 176.746 177.300 0.017 0.000 1.215 245 P CA -0.113 62.996 63.100 0.014 0.000 0.780 245 P CB 0.077 31.788 31.700 0.019 0.000 0.898 246 A N 2.140 124.970 122.820 0.017 0.000 2.540 246 A HA 0.125 4.445 4.320 0.000 0.000 0.239 246 A C 0.868 178.467 177.584 0.024 0.000 1.061 246 A CA 0.457 52.504 52.037 0.017 0.000 0.758 246 A CB -0.644 18.365 19.000 0.015 0.000 0.991 246 A HN 0.764 nan 8.150 nan 0.000 0.502 247 D N -0.043 120.371 120.400 0.024 0.000 2.705 247 D HA -0.298 4.342 4.640 0.000 0.000 0.187 247 D C 1.259 177.587 176.300 0.047 0.000 1.015 247 D CA 1.970 55.988 54.000 0.030 0.000 1.030 247 D CB -1.648 39.171 40.800 0.031 0.000 1.100 247 D HN 0.916 nan 8.370 nan 0.000 0.439 248 A N 0.723 123.572 122.820 0.049 0.000 1.877 248 A HA -0.039 4.281 4.320 0.000 0.000 0.216 248 A C 2.536 180.160 177.584 0.066 0.000 1.186 248 A CA 1.712 53.791 52.037 0.069 0.000 0.620 248 A CB -0.643 18.384 19.000 0.045 0.000 0.822 248 A HN 0.342 nan 8.150 nan 0.000 0.443 249 L N -0.862 120.381 121.223 0.033 0.000 2.093 249 L HA -0.171 4.169 4.340 0.000 0.000 0.208 249 L C 2.633 179.525 176.870 0.036 0.000 1.085 249 L CA 1.641 56.493 54.840 0.021 0.000 0.755 249 L CB -0.526 41.532 42.059 -0.001 0.000 0.904 249 L HN 0.489 nan 8.230 nan 0.000 0.435 250 E N 0.623 120.842 120.200 0.033 0.000 2.077 250 E HA -0.198 4.152 4.350 0.000 0.000 0.193 250 E C 2.326 178.939 176.600 0.023 0.000 0.989 250 E CA 1.323 57.740 56.400 0.028 0.000 0.800 250 E CB 0.034 29.745 29.700 0.017 0.000 0.746 250 E HN 0.160 nan 8.360 nan 0.000 0.452 251 R N 0.093 120.610 120.500 0.028 0.000 2.092 251 R HA -0.025 4.315 4.340 0.000 0.000 0.231 251 R C 2.576 178.885 176.300 0.014 0.000 1.119 251 R CA 1.232 57.310 56.100 -0.035 0.000 0.970 251 R CB -0.666 29.636 30.300 0.004 0.000 0.864 251 R HN 0.363 nan 8.270 nan 0.000 0.440 252 I N 0.991 121.664 120.570 0.172 0.000 2.179 252 I HA -0.313 3.857 4.170 0.000 0.000 0.242 252 I C 2.711 178.933 176.117 0.176 0.000 1.088 252 I CA 1.369 62.807 61.300 0.231 0.000 1.357 252 I CB -0.272 37.814 38.000 0.143 0.000 1.051 252 I HN 0.087 nan 8.210 nan 0.000 0.409 253 Q N 0.763 120.628 119.800 0.108 0.000 2.084 253 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 253 Q C 2.170 178.246 176.000 0.127 0.000 0.978 253 Q CA 2.782 58.657 55.803 0.122 0.000 0.844 253 Q CB -0.314 28.478 28.738 0.090 0.000 0.898 253 Q HN 0.616 nan 8.270 nan 0.000 0.426 254 T N -3.332 111.259 114.554 0.063 0.000 3.039 254 T HA 0.193 4.543 4.350 0.000 0.000 0.250 254 T C 1.665 176.358 174.700 -0.012 0.000 1.052 254 T CA 0.661 62.780 62.100 0.032 0.000 1.125 254 T CB 0.117 68.989 68.868 0.007 0.000 0.908 254 T HN 0.234 nan 8.240 nan 0.000 0.473 255 K N -0.945 119.403 120.400 -0.086 0.000 2.324 255 K HA 0.219 4.539 4.320 0.000 0.000 0.222 255 K C 1.755 178.307 176.600 -0.081 0.000 1.107 255 K CA -0.070 56.098 56.287 -0.198 0.000 0.873 255 K CB 0.100 32.304 32.500 -0.494 0.000 1.270 255 K HN 0.160 nan 8.250 nan 0.000 0.456 256 Y N 0.064 120.443 120.300 0.131 0.000 2.220 256 Y HA -0.141 4.409 4.550 0.000 0.000 0.291 256 Y C 2.191 178.244 175.900 0.255 0.000 1.129 256 Y CA 0.933 59.133 58.100 0.167 0.000 1.161 256 Y CB -0.599 37.954 38.460 0.155 0.000 0.997 256 Y HN 0.355 nan 8.280 nan 0.000 0.522 257 W N 1.959 123.368 121.300 0.182 0.000 2.381 257 W HA -0.099 4.561 4.660 0.000 0.000 0.301 257 W C -1.095 175.484 176.519 0.100 0.000 1.205 257 W CA 1.062 58.476 57.345 0.114 0.000 1.285 257 W CB -1.128 28.351 29.460 0.031 0.000 1.133 257 W HN 0.101 nan 8.180 nan 0.000 0.521 258 P HA -0.205 nan 4.420 nan 0.000 0.216 258 P C 1.064 178.312 177.300 -0.086 0.000 1.150 258 P CA 2.311 65.374 63.100 -0.061 0.000 0.843 258 P CB -0.288 31.426 31.700 0.024 0.000 0.787 259 E N -1.948 118.256 120.200 0.006 0.000 2.106 259 E HA -0.161 4.189 4.350 0.000 0.000 0.192 259 E C 1.766 178.325 176.600 -0.067 0.000 0.984 259 E CA 0.618 57.010 56.400 -0.012 0.000 0.806 259 E CB -0.556 29.189 29.700 0.076 0.000 0.750 259 E HN 0.224 nan 8.360 nan 0.000 0.458 260 F N 1.326 121.181 119.950 -0.159 0.000 2.134 260 F HA -0.189 4.338 4.527 0.000 0.000 0.299 260 F C 1.945 177.524 175.800 -0.367 0.000 1.097 260 F CA 1.288 59.171 58.000 -0.195 0.000 1.264 260 F CB -0.010 38.866 39.000 -0.207 0.000 1.001 260 F HN -0.085 nan 8.300 nan 0.000 0.479 261 I N 0.253 120.587 120.570 -0.394 0.000 2.163 261 I HA -0.345 3.825 4.170 0.000 0.000 0.243 261 I C 2.709 178.626 176.117 -0.334 0.000 1.085 261 I CA 1.320 62.336 61.300 -0.473 0.000 1.347 261 I CB -0.986 36.600 38.000 -0.690 0.000 1.044 261 I HN 0.225 nan 8.210 nan 0.000 0.408 262 A N -0.197 122.464 122.820 -0.265 0.000 1.940 262 A HA -0.294 4.026 4.320 0.000 0.000 0.219 262 A C 2.306 179.727 177.584 -0.271 0.000 1.176 262 A CA 1.977 53.901 52.037 -0.189 0.000 0.631 262 A CB -0.640 18.279 19.000 -0.135 0.000 0.814 262 A HN 0.529 nan 8.150 nan 0.000 0.446 263 Q N -2.510 117.008 119.800 -0.470 0.000 2.096 263 Q HA -0.098 4.242 4.340 0.000 0.000 0.197 263 Q C 0.843 176.419 176.000 -0.705 0.000 0.964 263 Q CA 1.414 56.779 55.803 -0.730 0.000 0.838 263 Q CB 0.035 28.030 28.738 -1.239 0.000 0.906 263 Q HN 0.772 nan 8.270 nan 0.000 0.444 264 Y N -1.577 118.478 120.300 -0.408 0.000 2.527 264 Y HA 0.178 4.728 4.550 0.000 0.000 0.247 264 Y C 0.801 176.521 175.900 -0.300 0.000 1.138 264 Y CA -0.302 57.540 58.100 -0.429 0.000 1.228 264 Y CB 0.324 38.314 38.460 -0.782 0.000 1.252 264 Y HN 0.128 nan 8.280 nan 0.000 0.531 265 D N 0.127 120.449 120.400 -0.132 0.000 2.350 265 D HA -0.060 4.580 4.640 0.000 0.000 0.216 265 D C 2.216 178.509 176.300 -0.011 0.000 0.968 265 D CA 1.279 55.240 54.000 -0.066 0.000 0.894 265 D CB -0.079 40.674 40.800 -0.078 0.000 0.909 265 D HN 0.352 nan 8.370 nan 0.000 0.520 266 G N -0.428 108.359 108.800 -0.021 0.000 3.141 266 G HA2 0.173 4.133 3.960 0.000 0.000 0.218 266 G HA3 0.173 4.133 3.960 0.000 0.000 0.218 266 G C 0.025 174.919 174.900 -0.009 0.000 1.170 266 G CA -0.244 44.852 45.100 -0.006 0.000 0.769 266 G HN 0.215 nan 8.290 nan 0.000 0.546 267 L N 2.260 123.472 121.223 -0.019 0.000 2.325 267 L HA 0.518 4.858 4.340 0.000 0.000 0.281 267 L C 0.618 177.454 176.870 -0.056 0.000 1.004 267 L CA -0.556 54.262 54.840 -0.036 0.000 0.823 267 L CB 1.602 43.632 42.059 -0.048 0.000 1.236 267 L HN 0.076 nan 8.230 nan 0.000 0.415 268 T N 1.378 115.905 114.554 -0.045 0.000 2.860 268 T HA 0.163 4.513 4.350 0.000 0.000 0.299 268 T C 1.199 175.854 174.700 -0.076 0.000 1.045 268 T CA -0.339 61.738 62.100 -0.037 0.000 1.071 268 T CB 0.733 69.593 68.868 -0.013 0.000 0.985 268 T HN 0.631 nan 8.240 nan 0.000 0.537 269 L N 2.387 123.588 121.223 -0.037 0.000 2.012 269 L HA 0.121 4.461 4.340 0.000 0.000 0.210 269 L C 2.549 179.280 176.870 -0.232 0.000 1.073 269 L CA 2.603 57.418 54.840 -0.041 0.000 0.748 269 L CB -1.449 40.688 42.059 0.131 0.000 0.891 269 L HN 0.963 nan 8.230 nan 0.000 0.431 270 G N -1.252 107.322 108.800 -0.376 0.000 2.422 270 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 270 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 270 G C 1.597 176.301 174.900 -0.327 0.000 1.146 270 G CA 0.842 45.486 45.100 -0.759 0.000 0.769 270 G HN 0.679 nan 8.290 nan 0.000 0.547 271 A N 1.165 123.893 122.820 -0.154 0.000 1.902 271 A HA 0.276 4.596 4.320 0.000 0.000 0.217 271 A C 2.815 180.361 177.584 -0.063 0.000 1.181 271 A CA 2.210 54.202 52.037 -0.075 0.000 0.623 271 A CB -0.758 18.219 19.000 -0.038 0.000 0.818 271 A HN 0.759 nan 8.150 nan 0.000 0.443 272 A N -0.496 122.258 122.820 -0.110 0.000 1.902 272 A HA 0.001 4.321 4.320 0.000 0.000 0.217 272 A C 2.223 179.811 177.584 0.007 0.000 1.181 272 A CA 1.756 53.748 52.037 -0.075 0.000 0.623 272 A CB -0.978 17.845 19.000 -0.295 0.000 0.818 272 A HN 0.393 nan 8.150 nan 0.000 0.443 273 V N 0.092 119.961 119.914 -0.076 0.000 2.287 273 V HA -0.298 3.822 4.120 0.000 0.000 0.248 273 V C 2.664 178.743 176.094 -0.025 0.000 1.053 273 V CA 2.441 64.703 62.300 -0.064 0.000 1.027 273 V CB -0.819 30.954 31.823 -0.083 0.000 0.646 273 V HN 0.676 nan 8.190 nan 0.000 0.447 274 R N -0.174 120.310 120.500 -0.027 0.000 2.096 274 R HA -0.183 4.157 4.340 0.000 0.000 0.235 274 R C 2.310 178.627 176.300 0.028 0.000 1.127 274 R CA 1.793 57.902 56.100 0.015 0.000 0.968 274 R CB -0.182 30.128 30.300 0.016 0.000 0.861 274 R HN 0.641 nan 8.270 nan 0.000 0.440 275 E N 0.217 120.443 120.200 0.043 0.000 2.051 275 E HA -0.212 4.138 4.350 0.000 0.000 0.192 275 E C 2.054 178.675 176.600 0.034 0.000 0.991 275 E CA 1.594 58.029 56.400 0.059 0.000 0.799 275 E CB -0.128 29.644 29.700 0.120 0.000 0.748 275 E HN 0.410 nan 8.360 nan 0.000 0.449 276 I N 0.648 121.238 120.570 0.035 0.000 2.179 276 I HA -0.255 3.915 4.170 0.000 0.000 0.242 276 I C 2.404 178.506 176.117 -0.026 0.000 1.088 276 I CA 0.813 62.105 61.300 -0.012 0.000 1.357 276 I CB -0.217 37.774 38.000 -0.015 0.000 1.051 276 I HN -0.015 nan 8.210 nan 0.000 0.409 277 V N 0.465 120.370 119.914 -0.016 0.000 2.343 277 V HA -0.284 3.836 4.120 0.000 0.000 0.247 277 V C 2.503 178.627 176.094 0.050 0.000 1.051 277 V CA 2.429 64.728 62.300 -0.001 0.000 1.036 277 V CB -0.926 30.921 31.823 0.040 0.000 0.654 277 V HN 0.478 nan 8.190 nan 0.000 0.451 278 T N 0.015 114.600 114.554 0.052 0.000 2.684 278 T HA -0.180 4.170 4.350 0.000 0.000 0.267 278 T C 1.945 176.703 174.700 0.096 0.000 1.036 278 T CA 1.750 63.898 62.100 0.080 0.000 1.148 278 T CB -0.256 68.642 68.868 0.050 0.000 0.863 278 T HN 0.294 nan 8.240 nan 0.000 0.436 279 V N 1.635 121.574 119.914 0.040 0.000 2.343 279 V HA -0.163 3.957 4.120 0.000 0.000 0.247 279 V C 2.873 178.972 176.094 0.009 0.000 1.051 279 V CA 1.709 64.018 62.300 0.015 0.000 1.036 279 V CB -1.185 30.625 31.823 -0.022 0.000 0.654 279 V HN 0.534 nan 8.190 nan 0.000 0.451 280 A N -0.786 122.032 122.820 -0.005 0.000 1.933 280 A HA -0.216 4.104 4.320 0.000 0.000 0.218 280 A C 2.103 179.673 177.584 -0.023 0.000 1.175 280 A CA 1.853 53.865 52.037 -0.042 0.000 0.628 280 A CB -0.670 18.278 19.000 -0.088 0.000 0.814 280 A HN 0.510 nan 8.150 nan 0.000 0.444 281 F N 0.868 120.764 119.950 -0.090 0.000 2.146 281 F HA -0.114 4.413 4.527 0.000 0.000 0.298 281 F C 2.207 177.989 175.800 -0.031 0.000 1.096 281 F CA 2.060 60.025 58.000 -0.057 0.000 1.275 281 F CB -0.213 38.788 39.000 0.001 0.000 1.008 281 F HN 0.349 nan 8.300 nan 0.000 0.480 282 E N -0.060 120.199 120.200 0.098 0.000 2.110 282 E HA -0.275 4.075 4.350 0.000 0.000 0.193 282 E C 1.988 178.546 176.600 -0.071 0.000 0.988 282 E CA 1.346 57.755 56.400 0.016 0.000 0.804 282 E CB -0.230 29.504 29.700 0.056 0.000 0.745 282 E HN 0.344 nan 8.360 nan 0.000 0.458 283 K N -0.426 119.929 120.400 -0.075 0.000 2.432 283 K HA -0.060 4.260 4.320 0.000 0.000 0.196 283 K C 1.003 177.527 176.600 -0.126 0.000 1.038 283 K CA 0.821 57.057 56.287 -0.086 0.000 0.986 283 K CB 0.214 32.671 32.500 -0.072 0.000 0.782 283 K HN 0.239 nan 8.250 nan 0.000 0.485 284 G N -0.048 108.636 108.800 -0.194 0.000 2.157 284 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 284 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 284 G C 0.721 175.509 174.900 -0.187 0.000 0.979 284 G CA 0.734 45.699 45.100 -0.225 0.000 0.650 284 G HN 0.379 nan 8.290 nan 0.000 0.529 285 T N 0.155 114.610 114.554 -0.164 0.000 2.821 285 T HA 0.160 4.510 4.350 0.000 0.000 0.267 285 T C 1.138 175.729 174.700 -0.180 0.000 1.046 285 T CA 1.106 63.117 62.100 -0.149 0.000 1.139 285 T CB 0.081 68.867 68.868 -0.136 0.000 0.871 285 T HN 0.377 nan 8.240 nan 0.000 0.454 286 L N 3.061 124.149 121.223 -0.225 0.000 2.298 286 L HA 0.413 4.753 4.340 0.000 0.000 0.284 286 L C -2.404 174.379 176.870 -0.144 0.000 1.013 286 L CA -2.352 52.319 54.840 -0.282 0.000 0.824 286 L CB 1.809 43.525 42.059 -0.573 0.000 1.221 286 L HN -0.043 nan 8.230 nan 0.000 0.418 287 P HA 0.365 nan 4.420 nan 0.000 0.281 287 P C -2.706 174.775 177.300 0.303 0.000 1.264 287 P CA -2.247 60.862 63.100 0.016 0.000 0.824 287 P CB 0.118 31.837 31.700 0.033 0.000 1.092 288 P HA -0.055 nan 4.420 nan 0.000 0.264 288 P C 1.240 178.652 177.300 0.187 0.000 1.183 288 P CA 0.278 63.589 63.100 0.352 0.000 0.763 288 P CB 0.173 31.988 31.700 0.191 0.000 0.807 289 V N 1.509 121.463 119.914 0.066 0.000 2.427 289 V HA -0.116 4.004 4.120 0.000 0.000 0.248 289 V C 1.009 177.022 176.094 -0.135 0.000 1.051 289 V CA 2.272 64.477 62.300 -0.157 0.000 1.048 289 V CB -0.865 30.608 31.823 -0.583 0.000 0.666 289 V HN 0.745 nan 8.190 nan 0.000 0.456 290 D N -2.738 117.607 120.400 -0.092 0.000 2.664 290 D HA 0.267 4.907 4.640 0.000 0.000 0.292 290 D C 1.023 177.312 176.300 -0.019 0.000 1.214 290 D CA 0.091 54.056 54.000 -0.058 0.000 0.932 290 D CB 0.959 41.710 40.800 -0.081 0.000 1.420 290 D HN -0.027 nan 8.370 nan 0.000 0.471 291 G N -0.791 108.002 108.800 -0.012 0.000 2.586 291 G HA2 -0.073 3.887 3.960 0.000 0.000 0.215 291 G HA3 -0.073 3.887 3.960 0.000 0.000 0.215 291 G C 1.068 175.968 174.900 -0.001 0.000 1.128 291 G CA 1.052 46.151 45.100 -0.001 0.000 0.774 291 G HN 0.381 nan 8.290 nan 0.000 0.543 292 V N -0.323 119.583 119.914 -0.013 0.000 3.523 292 V HA 0.423 4.543 4.120 0.000 0.000 0.255 292 V C 1.025 177.115 176.094 -0.007 0.000 1.226 292 V CA -0.202 62.092 62.300 -0.010 0.000 1.092 292 V CB -0.026 31.786 31.823 -0.017 0.000 0.817 292 V HN 0.159 nan 8.190 nan 0.000 0.458 293 L N 2.715 123.927 121.223 -0.018 0.000 2.416 293 L HA 0.236 4.576 4.340 0.000 0.000 0.272 293 L C 0.472 177.350 176.870 0.013 0.000 1.161 293 L CA -0.062 54.768 54.840 -0.017 0.000 0.845 293 L CB 0.638 42.664 42.059 -0.055 0.000 1.119 293 L HN 0.518 nan 8.230 nan 0.000 0.464 294 D N 2.336 122.742 120.400 0.011 0.000 2.414 294 D HA 0.057 4.697 4.640 0.000 0.000 0.259 294 D C 0.976 177.282 176.300 0.009 0.000 1.269 294 D CA -0.625 53.390 54.000 0.025 0.000 1.028 294 D CB 0.608 41.419 40.800 0.018 0.000 1.093 294 D HN 0.143 nan 8.370 nan 0.000 0.545 295 V N -0.196 119.730 119.914 0.020 0.000 2.261 295 V HA -0.223 3.897 4.120 0.000 0.000 0.246 295 V C 2.015 177.981 176.094 -0.213 0.000 1.047 295 V CA 2.463 64.737 62.300 -0.043 0.000 1.015 295 V CB -0.897 30.977 31.823 0.086 0.000 0.642 295 V HN 0.719 nan 8.190 nan 0.000 0.446 296 D N -0.742 119.598 120.400 -0.100 0.000 2.178 296 D HA -0.171 4.469 4.640 0.000 0.000 0.201 296 D C 2.120 178.374 176.300 -0.077 0.000 0.980 296 D CA 0.911 54.857 54.000 -0.089 0.000 0.842 296 D CB 0.069 40.850 40.800 -0.032 0.000 0.948 296 D HN 0.336 nan 8.370 nan 0.000 0.472 297 E N -0.004 120.163 120.200 -0.054 0.000 2.051 297 E HA -0.098 4.252 4.350 0.000 0.000 0.192 297 E C 2.311 178.890 176.600 -0.036 0.000 0.991 297 E CA 0.654 57.043 56.400 -0.019 0.000 0.799 297 E CB -0.640 29.058 29.700 -0.004 0.000 0.748 297 E HN 0.180 nan 8.360 nan 0.000 0.449 298 S N 0.856 116.483 115.700 -0.121 0.000 2.356 298 S HA -0.103 4.367 4.470 0.000 0.000 0.223 298 S C 2.145 176.681 174.600 -0.107 0.000 1.032 298 S CA 0.920 59.029 58.200 -0.152 0.000 1.005 298 S CB -0.292 62.837 63.200 -0.119 0.000 0.867 298 S HN 0.196 nan 8.310 nan 0.000 0.449 299 I N 1.286 121.690 120.570 -0.276 0.000 2.163 299 I HA -0.207 3.963 4.170 0.000 0.000 0.243 299 I C 2.444 178.602 176.117 0.068 0.000 1.085 299 I CA 1.065 62.299 61.300 -0.110 0.000 1.347 299 I CB -0.425 37.453 38.000 -0.203 0.000 1.044 299 I HN 0.215 nan 8.210 nan 0.000 0.408 300 S N -0.329 115.399 115.700 0.046 0.000 2.368 300 S HA -0.231 4.239 4.470 0.000 0.000 0.225 300 S C 1.926 176.614 174.600 0.147 0.000 1.030 300 S CA 1.179 59.438 58.200 0.098 0.000 0.999 300 S CB -0.493 62.755 63.200 0.081 0.000 0.844 300 S HN 0.425 nan 8.310 nan 0.000 0.459 301 Y N 0.989 121.291 120.300 0.004 0.000 2.081 301 Y HA -0.312 4.238 4.550 0.000 0.000 0.280 301 Y C 2.082 177.954 175.900 -0.046 0.000 1.163 301 Y CA 1.814 59.908 58.100 -0.010 0.000 1.135 301 Y CB -0.411 37.968 38.460 -0.135 0.000 0.970 301 Y HN 0.221 nan 8.280 nan 0.000 0.498 302 Y N -1.182 119.283 120.300 0.275 0.000 2.200 302 Y HA -0.231 4.319 4.550 0.000 0.000 0.290 302 Y C 2.523 178.480 175.900 0.095 0.000 1.137 302 Y CA 1.483 59.684 58.100 0.169 0.000 1.163 302 Y CB -1.013 37.538 38.460 0.151 0.000 0.988 302 Y HN -0.030 nan 8.280 nan 0.000 0.518 303 V N 0.090 120.158 119.914 0.256 0.000 2.287 303 V HA -0.263 3.857 4.120 0.000 0.000 0.248 303 V C 2.213 178.448 176.094 0.235 0.000 1.053 303 V CA 2.073 64.526 62.300 0.256 0.000 1.027 303 V CB -0.403 31.547 31.823 0.210 0.000 0.646 303 V HN 0.377 nan 8.190 nan 0.000 0.447 304 E N -0.384 119.845 120.200 0.047 0.000 2.107 304 E HA -0.148 4.202 4.350 0.000 0.000 0.191 304 E C 2.088 178.248 176.600 -0.732 0.000 0.982 304 E CA 0.852 57.157 56.400 -0.159 0.000 0.809 304 E CB -0.367 29.342 29.700 0.015 0.000 0.756 304 E HN 0.477 nan 8.360 nan 0.000 0.459 305 L N 0.512 121.190 121.223 -0.908 0.000 1.994 305 L HA -0.160 4.180 4.340 0.000 0.000 0.208 305 L C 2.285 179.002 176.870 -0.254 0.000 1.071 305 L CA 1.545 55.836 54.840 -0.915 0.000 0.745 305 L CB -0.700 41.139 42.059 -0.366 0.000 0.892 305 L HN 0.034 nan 8.230 nan 0.000 0.431 306 F N 0.446 120.321 119.950 -0.125 0.000 2.171 306 F HA -0.034 4.493 4.527 0.000 0.000 0.300 306 F C 2.161 177.977 175.800 0.028 0.000 1.090 306 F CA 1.502 59.484 58.000 -0.030 0.000 1.293 306 F CB -0.983 38.020 39.000 0.005 0.000 1.013 306 F HN 0.140 nan 8.300 nan 0.000 0.486 307 G N -0.064 108.683 108.800 -0.088 0.000 2.440 307 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 307 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 307 G C 1.719 176.467 174.900 -0.253 0.000 1.154 307 G CA 0.955 45.904 45.100 -0.253 0.000 0.767 307 G HN 0.291 nan 8.290 nan 0.000 0.552 308 R N -0.375 120.038 120.500 -0.146 0.000 2.193 308 R HA 0.154 4.494 4.340 0.000 0.000 0.213 308 R C 1.962 178.377 176.300 0.191 0.000 1.055 308 R CA 0.505 56.660 56.100 0.092 0.000 0.995 308 R CB -0.775 29.673 30.300 0.247 0.000 0.893 308 R HN 0.374 nan 8.270 nan 0.000 0.459 309 F N -0.413 119.415 119.950 -0.203 0.000 2.094 309 F HA 0.208 4.735 4.527 0.000 0.000 0.291 309 F C 1.350 176.904 175.800 -0.410 0.000 1.109 309 F CA 1.835 59.528 58.000 -0.512 0.000 1.221 309 F CB -0.327 38.159 39.000 -0.857 0.000 1.014 309 F HN 0.275 nan 8.300 nan 0.000 0.473 310 G N -0.463 107.963 108.800 -0.624 0.000 2.660 310 G HA2 -0.285 3.675 3.960 0.000 0.000 0.215 310 G HA3 -0.285 3.675 3.960 0.000 0.000 0.215 310 G C -0.139 174.478 174.900 -0.471 0.000 1.345 310 G CA -0.146 44.590 45.100 -0.606 0.000 0.877 310 G HN 0.300 nan 8.290 nan 0.000 0.549 311 F N 1.492 121.330 119.950 -0.187 0.000 2.682 311 F HA 0.486 5.013 4.527 0.000 0.000 0.308 311 F C 1.946 177.760 175.800 0.023 0.000 1.093 311 F CA 1.068 59.078 58.000 0.017 0.000 1.244 311 F CB 1.226 40.217 39.000 -0.016 0.000 1.052 311 F HN 1.611 nan 8.300 nan 0.000 0.573 312 G N 0.068 108.938 108.800 0.117 0.000 2.318 312 G HA2 -0.201 3.759 3.960 0.000 0.000 0.172 312 G HA3 -0.201 3.759 3.960 0.000 0.000 0.172 312 G C 0.624 175.604 174.900 0.134 0.000 1.002 312 G CA 0.228 45.379 45.100 0.086 0.000 0.697 312 G HN 0.259 nan 8.290 nan 0.000 0.483 313 T N -1.742 112.962 114.554 0.251 0.000 3.393 313 T HA 0.631 4.981 4.350 0.000 0.000 0.298 313 T C 1.126 176.117 174.700 0.485 0.000 1.004 313 T CA 1.028 63.387 62.100 0.431 0.000 0.956 313 T CB 0.979 70.219 68.868 0.620 0.000 1.182 313 T HN 2.234 nan 8.240 nan 0.000 0.497 314 G N 0.123 109.070 108.800 0.245 0.000 2.661 314 G HA2 0.325 4.286 3.960 0.000 0.000 0.685 314 G HA3 0.325 4.286 3.960 0.000 0.000 0.685 314 G C 0.054 175.108 174.900 0.256 0.000 1.298 314 G CA -0.512 44.695 45.100 0.179 0.000 0.855 314 G HN 1.004 nan 8.290 nan 0.000 0.560 315 G N -1.288 107.623 108.800 0.184 0.000 2.380 315 G HA2 0.483 4.443 3.960 0.000 0.000 0.242 315 G HA3 0.483 4.443 3.960 0.000 0.000 0.242 315 G C 0.392 175.600 174.900 0.513 0.000 1.298 315 G CA 0.017 45.227 45.100 0.184 0.000 0.878 315 G HN 0.659 nan 8.290 nan 0.000 0.542 316 F N 1.282 121.294 119.950 0.104 0.000 2.693 316 F HA 0.192 4.719 4.527 0.000 0.000 0.303 316 F C 2.147 177.932 175.800 -0.025 0.000 1.097 316 F CA -0.702 57.421 58.000 0.205 0.000 1.330 316 F CB 0.412 39.674 39.000 0.435 0.000 1.067 316 F HN 0.514 nan 8.300 nan 0.000 0.565 317 K N 2.536 122.799 120.400 -0.227 0.000 2.052 317 K HA -0.177 4.143 4.320 0.000 0.000 0.215 317 K C -0.879 175.567 176.600 -0.257 0.000 1.053 317 K CA 2.116 57.974 56.287 -0.714 0.000 0.934 317 K CB -1.661 30.589 32.500 -0.417 0.000 0.717 317 K HN 0.094 nan 8.250 nan 0.000 0.450 318 P HA -0.124 nan 4.420 nan 0.000 0.222 318 P C 0.630 177.972 177.300 0.068 0.000 1.147 318 P CA 1.216 64.359 63.100 0.072 0.000 0.790 318 P CB -0.017 31.789 31.700 0.177 0.000 0.780 319 L N -2.633 118.610 121.223 0.035 0.000 2.653 319 L HA 0.122 4.462 4.340 0.000 0.000 0.231 319 L C 1.911 178.891 176.870 0.183 0.000 1.153 319 L CA -0.190 54.632 54.840 -0.029 0.000 0.933 319 L CB -0.768 41.058 42.059 -0.389 0.000 1.175 319 L HN -0.142 nan 8.230 nan 0.000 0.473 320 Y N 1.126 121.478 120.300 0.087 0.000 2.483 320 Y HA -0.110 4.440 4.550 0.000 0.000 0.291 320 Y C 2.183 178.118 175.900 0.059 0.000 1.143 320 Y CA 0.439 58.608 58.100 0.114 0.000 1.289 320 Y CB -0.460 38.078 38.460 0.131 0.000 0.983 320 Y HN 0.359 nan 8.280 nan 0.000 0.556 321 N N 0.871 119.665 118.700 0.157 0.000 2.467 321 N HA 0.006 4.746 4.740 0.000 0.000 0.184 321 N C 0.862 176.377 175.510 0.008 0.000 1.106 321 N CA 0.261 53.343 53.050 0.052 0.000 0.892 321 N CB -0.030 38.456 38.487 -0.002 0.000 0.969 321 N HN 0.426 nan 8.380 nan 0.000 0.454 322 I N -0.728 119.856 120.570 0.023 0.000 2.892 322 I HA 0.043 4.213 4.170 0.000 0.000 0.287 322 I C 0.939 177.071 176.117 0.024 0.000 1.205 322 I CA -0.320 60.987 61.300 0.012 0.000 1.409 322 I CB 0.498 38.508 38.000 0.017 0.000 1.367 322 I HN -0.195 nan 8.210 nan 0.000 0.597 323 S N 3.493 119.210 115.700 0.029 0.000 2.563 323 S HA 0.018 4.488 4.470 0.000 0.000 0.284 323 S C 0.834 175.453 174.600 0.031 0.000 1.331 323 S CA -0.507 57.709 58.200 0.026 0.000 1.047 323 S CB 0.658 63.886 63.200 0.047 0.000 0.859 323 S HN 0.676 nan 8.310 nan 0.000 0.514 324 L N 6.524 127.741 121.223 -0.011 0.000 2.129 324 L HA -0.060 4.280 4.340 0.000 0.000 0.212 324 L C 2.130 179.070 176.870 0.117 0.000 1.087 324 L CA 1.779 56.608 54.840 -0.018 0.000 0.757 324 L CB -0.734 41.205 42.059 -0.199 0.000 0.896 324 L HN 0.683 nan 8.230 nan 0.000 0.434 325 V N -0.537 119.467 119.914 0.149 0.000 2.332 325 V HA -0.263 3.857 4.120 0.000 0.000 0.248 325 V C 2.680 178.914 176.094 0.232 0.000 1.055 325 V CA 1.866 64.304 62.300 0.230 0.000 1.038 325 V CB -0.722 31.130 31.823 0.049 0.000 0.651 325 V HN 0.452 nan 8.190 nan 0.000 0.450 326 E N -0.532 119.761 120.200 0.155 0.000 2.051 326 E HA -0.242 4.108 4.350 0.000 0.000 0.192 326 E C 2.094 178.759 176.600 0.109 0.000 0.991 326 E CA 1.574 58.056 56.400 0.137 0.000 0.799 326 E CB -0.375 29.388 29.700 0.104 0.000 0.748 326 E HN 0.515 nan 8.360 nan 0.000 0.449 327 M N 0.119 119.772 119.600 0.089 0.000 2.108 327 M HA -0.161 4.319 4.480 0.000 0.000 0.261 327 M C 2.171 178.494 176.300 0.038 0.000 1.066 327 M CA 1.333 56.657 55.300 0.040 0.000 1.107 327 M CB -0.304 32.318 32.600 0.036 0.000 1.356 327 M HN 0.084 nan 8.290 nan 0.000 0.406 328 M N -0.187 119.480 119.600 0.112 0.000 2.213 328 M HA -0.131 4.349 4.480 0.000 0.000 0.263 328 M C 1.932 178.284 176.300 0.086 0.000 1.062 328 M CA 1.792 57.158 55.300 0.112 0.000 1.105 328 M CB -0.358 32.330 32.600 0.147 0.000 1.385 328 M HN 0.246 nan 8.290 nan 0.000 0.417 329 R N -0.563 120.010 120.500 0.121 0.000 2.091 329 R HA -0.134 4.206 4.340 0.000 0.000 0.238 329 R C 2.125 178.464 176.300 0.065 0.000 1.136 329 R CA 1.758 57.876 56.100 0.029 0.000 0.959 329 R CB -0.751 29.577 30.300 0.046 0.000 0.856 329 R HN 0.399 nan 8.270 nan 0.000 0.437 330 L N 0.136 121.409 121.223 0.084 0.000 2.109 330 L HA -0.125 4.215 4.340 0.000 0.000 0.207 330 L C 2.335 179.331 176.870 0.211 0.000 1.086 330 L CA 0.993 55.923 54.840 0.150 0.000 0.760 330 L CB -0.356 41.656 42.059 -0.079 0.000 0.910 330 L HN 0.180 nan 8.230 nan 0.000 0.437 331 I N -0.058 120.572 120.570 0.100 0.000 2.179 331 I HA -0.324 3.846 4.170 0.000 0.000 0.242 331 I C 2.435 178.610 176.117 0.098 0.000 1.088 331 I CA 1.461 62.817 61.300 0.093 0.000 1.357 331 I CB -0.224 37.804 38.000 0.046 0.000 1.051 331 I HN 0.194 nan 8.210 nan 0.000 0.409 332 L N -0.951 120.316 121.223 0.074 0.000 2.127 332 L HA -0.233 4.107 4.340 0.000 0.000 0.211 332 L C 2.229 179.170 176.870 0.117 0.000 1.089 332 L CA 1.161 56.047 54.840 0.076 0.000 0.757 332 L CB -0.527 41.529 42.059 -0.005 0.000 0.899 332 L HN 0.461 nan 8.230 nan 0.000 0.434 333 W N 0.748 121.951 121.300 -0.162 0.000 3.047 333 W HA -0.011 4.649 4.660 0.000 0.000 0.250 333 W C 0.720 177.072 176.519 -0.279 0.000 1.314 333 W CA 0.313 57.403 57.345 -0.425 0.000 1.540 333 W CB -0.279 29.013 29.460 -0.280 0.000 1.127 333 W HN 0.244 nan 8.180 nan 0.000 0.679 334 D N -0.767 119.633 120.400 -0.000 0.000 2.689 334 D HA -0.342 4.298 4.640 0.000 0.000 0.237 334 D C 0.879 177.031 176.300 -0.247 0.000 1.148 334 D CA 1.280 55.224 54.000 -0.093 0.000 0.656 334 D CB -1.570 39.150 40.800 -0.133 0.000 1.050 334 D HN 0.534 nan 8.370 nan 0.000 0.426 335 Y N -0.787 119.376 120.300 -0.228 0.000 2.333 335 Y HA -0.145 4.405 4.550 0.000 0.000 0.290 335 Y C 2.158 177.897 175.900 -0.269 0.000 1.144 335 Y CA 1.423 59.263 58.100 -0.433 0.000 1.228 335 Y CB -0.780 37.561 38.460 -0.198 0.000 0.985 335 Y HN 0.187 nan 8.280 nan 0.000 0.542 336 S N -0.301 114.673 115.700 -1.210 0.000 2.561 336 S HA -0.061 4.409 4.470 0.000 0.000 0.225 336 S C 0.695 175.065 174.600 -0.384 0.000 0.977 336 S CA 0.174 57.828 58.200 -0.911 0.000 0.926 336 S CB -0.692 62.081 63.200 -0.711 0.000 0.769 336 S HN 0.502 nan 8.310 nan 0.000 0.533 337 N N 2.636 121.147 118.700 -0.314 0.000 2.555 337 N HA 0.211 4.951 4.740 0.000 0.000 0.244 337 N C -0.898 174.513 175.510 -0.166 0.000 1.114 337 N CA -0.029 52.903 53.050 -0.197 0.000 0.963 337 N CB 0.020 38.425 38.487 -0.137 0.000 1.276 337 N HN 0.502 nan 8.380 nan 0.000 0.510 338 E N 1.649 121.734 120.200 -0.192 0.000 2.299 338 E HA 0.399 4.749 4.350 0.000 0.000 0.265 338 E C -1.069 175.429 176.600 -0.171 0.000 0.911 338 E CA -0.719 55.650 56.400 -0.050 0.000 0.789 338 E CB 1.545 31.232 29.700 -0.021 0.000 1.246 338 E HN 0.394 nan 8.360 nan 0.000 0.427 339 Y N -0.486 119.999 120.300 0.308 0.000 2.602 339 Y HA 0.334 4.884 4.550 0.000 0.000 0.342 339 Y C 0.565 176.778 175.900 0.521 0.000 1.029 339 Y CA -0.908 57.417 58.100 0.374 0.000 1.080 339 Y CB 1.925 40.578 38.460 0.323 0.000 1.284 339 Y HN 0.501 nan 8.280 nan 0.000 0.485 340 T N -0.910 114.008 114.554 0.607 0.000 2.862 340 T HA 0.688 5.038 4.350 0.000 0.000 0.276 340 T C -0.439 174.564 174.700 0.504 0.000 0.974 340 T CA -0.811 61.624 62.100 0.559 0.000 0.966 340 T CB 0.737 69.820 68.868 0.358 0.000 1.072 340 T HN 0.469 nan 8.240 nan 0.000 0.538 341 L N 1.250 122.656 121.223 0.304 0.000 2.387 341 L HA 0.448 4.788 4.340 0.000 0.000 0.266 341 L C -1.737 175.061 176.870 -0.120 0.000 1.059 341 L CA -2.706 52.144 54.840 0.017 0.000 0.801 341 L CB 1.513 43.456 42.059 -0.192 0.000 1.223 341 L HN 0.570 nan 8.230 nan 0.000 0.456 342 P HA 0.095 nan 4.420 nan 0.000 0.220 342 P C -0.926 176.093 177.300 -0.469 0.000 1.806 342 P CA 0.139 62.994 63.100 -0.408 0.000 0.976 342 P CB -0.170 31.251 31.700 -0.465 0.000 1.952 343 V N -2.233 117.534 119.914 -0.244 0.000 3.159 343 V HA 0.482 4.602 4.120 0.000 0.000 0.308 343 V C 1.014 177.085 176.094 -0.040 0.000 1.190 343 V CA -0.635 61.582 62.300 -0.137 0.000 1.037 343 V CB 1.311 33.088 31.823 -0.077 0.000 1.060 343 V HN -0.092 nan 8.190 nan 0.000 0.437 344 T N 1.246 115.794 114.554 -0.010 0.000 2.894 344 T HA 0.191 4.542 4.350 0.000 0.000 0.258 344 T C 0.201 174.910 174.700 0.014 0.000 1.043 344 T CA 1.535 63.636 62.100 0.002 0.000 1.141 344 T CB -0.161 68.705 68.868 -0.003 0.000 0.873 344 T HN 0.850 nan 8.240 nan 0.000 0.449 345 E N 0.788 121.005 120.200 0.027 0.000 2.272 345 E HA 0.390 4.740 4.350 0.000 0.000 0.269 345 E C 0.016 176.663 176.600 0.078 0.000 0.877 345 E CA -0.562 55.861 56.400 0.038 0.000 0.755 345 E CB 1.182 30.890 29.700 0.014 0.000 1.192 345 E HN -0.125 nan 8.360 nan 0.000 0.422 346 N N 1.159 119.925 118.700 0.110 0.000 2.289 346 N HA -0.140 4.600 4.740 0.000 0.000 0.184 346 N C 1.602 177.198 175.510 0.143 0.000 1.016 346 N CA 0.515 53.661 53.050 0.161 0.000 0.872 346 N CB 0.052 38.677 38.487 0.230 0.000 0.973 346 N HN 0.279 nan 8.380 nan 0.000 0.433 347 V N 1.660 121.616 119.914 0.069 0.000 2.568 347 V HA -0.224 3.896 4.120 0.000 0.000 0.253 347 V C 1.735 177.790 176.094 -0.064 0.000 1.072 347 V CA 1.644 63.931 62.300 -0.021 0.000 1.084 347 V CB -0.293 31.519 31.823 -0.019 0.000 0.676 347 V HN 0.283 nan 8.190 nan 0.000 0.469 348 E N -0.616 119.615 120.200 0.052 0.000 2.160 348 E HA -0.242 4.108 4.350 0.000 0.000 0.195 348 E C 2.012 178.717 176.600 0.175 0.000 0.991 348 E CA 1.517 57.976 56.400 0.099 0.000 0.810 348 E CB -0.284 29.536 29.700 0.199 0.000 0.742 348 E HN 0.708 nan 8.360 nan 0.000 0.466 349 F N 1.877 121.891 119.950 0.106 0.000 2.069 349 F HA -0.224 4.303 4.527 0.000 0.000 0.298 349 F C 1.900 177.576 175.800 -0.206 0.000 1.113 349 F CA 1.208 59.207 58.000 -0.002 0.000 1.214 349 F CB -0.338 38.722 39.000 0.099 0.000 0.978 349 F HN -0.072 nan 8.300 nan 0.000 0.474 350 I N 0.487 120.901 120.570 -0.260 0.000 2.315 350 I HA -0.209 3.961 4.170 0.000 0.000 0.248 350 I C 2.590 178.378 176.117 -0.548 0.000 1.117 350 I CA 1.185 62.205 61.300 -0.467 0.000 1.404 350 I CB -1.494 36.258 38.000 -0.413 0.000 1.071 350 I HN 0.196 nan 8.210 nan 0.000 0.419 351 R N 1.330 121.376 120.500 -0.757 0.000 2.083 351 R HA -0.198 4.142 4.340 0.000 0.000 0.237 351 R C 2.036 178.264 176.300 -0.119 0.000 1.137 351 R CA 1.911 57.628 56.100 -0.639 0.000 0.951 351 R CB -0.090 29.938 30.300 -0.453 0.000 0.851 351 R HN 0.300 nan 8.270 nan 0.000 0.434 352 N N 0.673 119.291 118.700 -0.137 0.000 2.166 352 N HA -0.165 4.575 4.740 0.000 0.000 0.186 352 N C 1.538 176.982 175.510 -0.109 0.000 1.019 352 N CA 0.862 53.840 53.050 -0.120 0.000 0.856 352 N CB -0.278 38.049 38.487 -0.266 0.000 0.993 352 N HN 0.160 nan 8.380 nan 0.000 0.426 353 L N -0.166 120.969 121.223 -0.147 0.000 2.093 353 L HA -0.001 4.339 4.340 0.000 0.000 0.208 353 L C 1.929 178.810 176.870 0.019 0.000 1.085 353 L CA 1.248 55.996 54.840 -0.153 0.000 0.755 353 L CB -0.748 41.115 42.059 -0.326 0.000 0.904 353 L HN 0.103 nan 8.230 nan 0.000 0.435 354 F N -0.365 119.555 119.950 -0.050 0.000 2.102 354 F HA -0.224 4.303 4.527 0.000 0.000 0.298 354 F C 2.010 177.851 175.800 0.068 0.000 1.105 354 F CA 1.815 59.856 58.000 0.070 0.000 1.239 354 F CB -0.380 38.757 39.000 0.229 0.000 0.991 354 F HN 0.041 nan 8.300 nan 0.000 0.474 355 L N 0.038 121.235 121.223 -0.043 0.000 2.046 355 L HA -0.208 4.132 4.340 0.000 0.000 0.208 355 L C 2.463 179.263 176.870 -0.118 0.000 1.077 355 L CA 1.689 56.439 54.840 -0.149 0.000 0.747 355 L CB -0.759 41.300 42.059 0.001 0.000 0.896 355 L HN 0.076 nan 8.230 nan 0.000 0.432 356 K N 0.555 120.938 120.400 -0.028 0.000 2.148 356 K HA -0.079 4.241 4.320 0.000 0.000 0.204 356 K C 2.041 178.683 176.600 0.069 0.000 1.050 356 K CA 1.271 57.586 56.287 0.046 0.000 0.942 356 K CB -0.291 32.275 32.500 0.110 0.000 0.724 356 K HN 0.223 nan 8.250 nan 0.000 0.446 357 A N 0.653 123.522 122.820 0.081 0.000 1.917 357 A HA -0.266 4.054 4.320 0.000 0.000 0.219 357 A C 2.076 179.571 177.584 -0.148 0.000 1.182 357 A CA 1.929 53.948 52.037 -0.030 0.000 0.633 357 A CB -0.586 18.413 19.000 -0.002 0.000 0.819 357 A HN 0.520 nan 8.150 nan 0.000 0.448 358 Q N -1.137 118.540 119.800 -0.205 0.000 2.123 358 Q HA -0.178 4.162 4.340 0.000 0.000 0.199 358 Q C 2.097 178.021 176.000 -0.127 0.000 0.966 358 Q CA 1.409 57.096 55.803 -0.193 0.000 0.845 358 Q CB -0.257 28.318 28.738 -0.273 0.000 0.907 358 Q HN 0.815 nan 8.270 nan 0.000 0.439 359 N N 0.439 119.076 118.700 -0.104 0.000 2.084 359 N HA -0.169 4.571 4.740 0.000 0.000 0.190 359 N C 1.780 177.247 175.510 -0.073 0.000 1.030 359 N CA 1.745 54.754 53.050 -0.068 0.000 0.849 359 N CB -0.035 38.428 38.487 -0.040 0.000 1.012 359 N HN 0.184 nan 8.380 nan 0.000 0.423 360 V N -2.009 117.846 119.914 -0.098 0.000 2.759 360 V HA 0.167 4.287 4.120 0.000 0.000 0.256 360 V C 2.113 178.125 176.094 -0.137 0.000 1.080 360 V CA 1.743 63.964 62.300 -0.132 0.000 1.101 360 V CB -1.394 30.288 31.823 -0.234 0.000 0.698 360 V HN 0.300 nan 8.190 nan 0.000 0.477 361 G N -0.008 108.713 108.800 -0.131 0.000 2.498 361 G HA2 0.126 4.086 3.960 0.000 0.000 0.219 361 G HA3 0.126 4.086 3.960 0.000 0.000 0.219 361 G C 1.214 176.073 174.900 -0.069 0.000 1.119 361 G CA 0.667 45.706 45.100 -0.103 0.000 0.766 361 G HN 1.828 nan 8.290 nan 0.000 0.552 362 A N -1.514 121.268 122.820 -0.062 0.000 2.822 362 A HA 0.186 4.506 4.320 0.000 0.000 0.287 362 A C 2.081 179.646 177.584 -0.032 0.000 1.479 362 A CA 1.645 53.656 52.037 -0.043 0.000 0.779 362 A CB -1.649 17.328 19.000 -0.039 0.000 1.022 362 A HN 2.345 nan 8.150 nan 0.000 0.532 363 G N -1.671 107.109 108.800 -0.033 0.000 2.184 363 G HA2 -0.359 3.601 3.960 0.000 0.000 0.264 363 G HA3 -0.359 3.601 3.960 0.000 0.000 0.264 363 G C 0.766 175.657 174.900 -0.015 0.000 0.975 363 G CA 1.210 46.296 45.100 -0.023 0.000 0.642 363 G HN 1.018 nan 8.290 nan 0.000 0.536 364 K N -0.942 119.448 120.400 -0.016 0.000 2.379 364 K HA 0.304 4.624 4.320 0.000 0.000 0.194 364 K C 0.652 177.254 176.600 0.003 0.000 1.031 364 K CA 0.114 56.400 56.287 -0.001 0.000 1.037 364 K CB 0.437 32.935 32.500 -0.002 0.000 0.824 364 K HN 0.381 nan 8.250 nan 0.000 0.516 365 L N 1.366 122.579 121.223 -0.016 0.000 2.296 365 L HA 0.284 4.624 4.340 0.000 0.000 0.286 365 L C -0.951 175.913 176.870 -0.011 0.000 1.023 365 L CA -0.570 54.262 54.840 -0.014 0.000 0.812 365 L CB 1.628 43.660 42.059 -0.045 0.000 1.223 365 L HN -0.302 nan 8.230 nan 0.000 0.421 366 V N 5.694 125.615 119.914 0.011 0.000 2.495 366 V HA 0.648 4.768 4.120 0.000 0.000 0.298 366 V C -0.572 175.539 176.094 0.028 0.000 1.031 366 V CA -0.641 61.667 62.300 0.014 0.000 0.871 366 V CB 1.961 33.799 31.823 0.024 0.000 0.988 366 V HN 0.543 nan 8.190 nan 0.000 0.432 367 V N 4.607 124.537 119.914 0.026 0.000 2.588 367 V HA 0.553 4.673 4.120 0.000 0.000 0.304 367 V C -0.593 175.543 176.094 0.069 0.000 1.042 367 V CA -0.646 61.689 62.300 0.059 0.000 0.877 367 V CB 1.840 33.707 31.823 0.073 0.000 0.996 367 V HN 0.925 nan 8.190 nan 0.000 0.425 368 Q N 2.298 122.134 119.800 0.061 0.000 2.356 368 Q HA 0.689 5.029 4.340 0.000 0.000 0.270 368 Q C -1.418 174.586 176.000 0.007 0.000 1.058 368 Q CA -0.763 55.061 55.803 0.035 0.000 0.802 368 Q CB 3.146 31.890 28.738 0.008 0.000 1.303 368 Q HN 0.584 nan 8.270 nan 0.000 0.444 369 V N 2.703 122.615 119.914 -0.002 0.000 2.427 369 V HA 0.430 4.550 4.120 0.000 0.000 0.286 369 V C -0.261 175.797 176.094 -0.060 0.000 1.034 369 V CA -0.548 61.727 62.300 -0.040 0.000 0.893 369 V CB 1.309 33.101 31.823 -0.052 0.000 0.982 369 V HN 0.622 nan 8.190 nan 0.000 0.452 370 R N 3.249 123.675 120.500 -0.124 0.000 2.343 370 R HA 0.388 4.728 4.340 0.000 0.000 0.320 370 R C -0.291 175.997 176.300 -0.019 0.000 0.956 370 R CA -0.498 55.498 56.100 -0.173 0.000 0.836 370 R CB 1.698 31.714 30.300 -0.473 0.000 1.151 370 R HN 0.698 nan 8.270 nan 0.000 0.450 371 Q N 3.220 122.993 119.800 -0.045 0.000 2.844 371 Q HA 0.083 4.423 4.340 0.000 0.000 0.235 371 Q C -1.016 174.974 176.000 -0.016 0.000 1.336 371 Q CA 0.279 56.013 55.803 -0.114 0.000 1.026 371 Q CB 0.350 28.804 28.738 -0.474 0.000 1.513 371 Q HN 0.510 nan 8.270 nan 0.000 0.577 372 E N 1.639 121.895 120.200 0.094 0.000 2.331 372 E HA 0.306 4.656 4.350 0.000 0.000 0.275 372 E C -1.376 175.371 176.600 0.245 0.000 0.895 372 E CA -0.893 55.615 56.400 0.181 0.000 0.753 372 E CB 2.088 31.919 29.700 0.217 0.000 1.216 372 E HN 0.266 nan 8.360 nan 0.000 0.434 373 R N 2.320 122.958 120.500 0.229 0.000 2.207 373 R HA 0.300 4.640 4.340 0.000 0.000 0.334 373 R C -0.846 175.560 176.300 0.177 0.000 1.013 373 R CA -0.415 55.806 56.100 0.200 0.000 0.858 373 R CB 0.749 31.163 30.300 0.190 0.000 1.094 373 R HN 0.266 nan 8.270 nan 0.000 0.457 374 V N 4.985 124.948 119.914 0.081 0.000 2.521 374 V HA 0.091 4.211 4.120 0.000 0.000 0.286 374 V C 1.019 177.131 176.094 0.031 0.000 1.034 374 V CA 0.657 62.936 62.300 -0.035 0.000 1.045 374 V CB 1.047 32.752 31.823 -0.198 0.000 0.974 374 V HN 1.039 nan 8.190 nan 0.000 0.480 375 A N 4.647 127.491 122.820 0.041 0.000 2.035 375 A HA 0.330 4.650 4.320 0.000 0.000 0.208 375 A C 0.681 178.284 177.584 0.031 0.000 1.206 375 A CA 0.265 52.362 52.037 0.100 0.000 0.773 375 A CB 0.050 19.209 19.000 0.264 0.000 0.878 375 A HN 0.792 nan 8.150 nan 0.000 0.469 376 N N -2.159 116.527 118.700 -0.024 0.000 2.405 376 N HA 0.623 5.363 4.740 0.000 0.000 0.274 376 N C -1.057 174.377 175.510 -0.127 0.000 1.170 376 N CA 0.150 53.160 53.050 -0.067 0.000 0.848 376 N CB 2.031 40.502 38.487 -0.028 0.000 1.629 376 N HN 0.323 nan 8.380 nan 0.000 0.481 377 A N 0.247 122.942 122.820 -0.208 0.000 2.401 377 A HA 0.920 5.240 4.320 0.000 0.000 0.310 377 A C -0.545 176.791 177.584 -0.412 0.000 1.075 377 A CA -0.640 51.222 52.037 -0.292 0.000 0.746 377 A CB 0.396 19.138 19.000 -0.429 0.000 1.277 377 A HN 1.088 nan 8.150 nan 0.000 0.425 378 C N -0.211 118.859 119.300 -0.384 0.000 3.295 378 C HA 0.739 5.199 4.460 0.000 0.000 0.341 378 C C -0.956 173.940 174.990 -0.156 0.000 1.418 378 C CA -0.907 57.906 59.018 -0.340 0.000 1.240 378 C CB 0.545 28.096 27.740 -0.316 0.000 1.562 378 C HN 0.934 nan 8.230 nan 0.000 0.457 379 H N 1.158 120.270 119.070 0.071 0.000 2.463 379 H HA 0.770 5.326 4.556 0.000 0.000 0.332 379 H C 0.106 175.501 175.328 0.111 0.000 1.127 379 H CA 0.781 56.927 56.048 0.164 0.000 1.238 379 H CB 1.974 31.859 29.762 0.205 0.000 1.478 379 H HN 1.057 nan 8.280 nan 0.000 0.499 380 S N 1.349 117.179 115.700 0.217 0.000 2.588 380 S HA 0.614 5.084 4.470 0.000 0.000 0.269 380 S C 0.123 174.840 174.600 0.194 0.000 1.157 380 S CA -0.029 58.288 58.200 0.195 0.000 0.824 380 S CB 2.054 65.355 63.200 0.167 0.000 1.126 380 S HN 1.120 nan 8.310 nan 0.000 0.464 381 G N 1.035 109.946 108.800 0.186 0.000 2.698 381 G HA2 -0.045 3.915 3.960 0.000 0.000 0.233 381 G HA3 -0.045 3.915 3.960 0.000 0.000 0.233 381 G C 0.404 175.381 174.900 0.129 0.000 1.352 381 G CA 0.794 45.983 45.100 0.149 0.000 0.879 381 G HN 2.294 nan 8.290 nan 0.000 0.567 382 T N -2.339 112.272 114.554 0.094 0.000 3.058 382 T HA 0.731 5.081 4.350 0.000 0.000 0.278 382 T C 1.039 175.768 174.700 0.048 0.000 0.974 382 T CA 1.334 63.477 62.100 0.072 0.000 0.893 382 T CB 0.353 69.259 68.868 0.064 0.000 1.138 382 T HN 2.137 nan 8.240 nan 0.000 0.529 383 A N 1.155 124.002 122.820 0.045 0.000 2.310 383 A HA 0.692 5.012 4.320 0.000 0.000 0.260 383 A C 1.848 179.437 177.584 0.009 0.000 1.112 383 A CA 0.160 52.210 52.037 0.021 0.000 0.804 383 A CB 0.263 19.273 19.000 0.016 0.000 1.081 383 A HN 0.227 nan 8.150 nan 0.000 0.499 384 S N -0.359 115.334 115.700 -0.012 0.000 2.359 384 S HA -0.022 4.448 4.470 0.000 0.000 0.224 384 S C 1.128 175.697 174.600 -0.052 0.000 1.035 384 S CA 1.311 59.493 58.200 -0.030 0.000 1.018 384 S CB -0.531 62.642 63.200 -0.044 0.000 0.876 384 S HN 1.428 nan 8.310 nan 0.000 0.448 385 A N 0.995 123.779 122.820 -0.059 0.000 2.376 385 A HA 0.521 4.841 4.320 0.000 0.000 0.298 385 A C 0.761 178.329 177.584 -0.026 0.000 1.271 385 A CA -0.463 51.528 52.037 -0.076 0.000 0.926 385 A CB 0.024 18.966 19.000 -0.098 0.000 1.141 385 A HN 0.595 nan 8.150 nan 0.000 0.539 386 R N 2.125 122.623 120.500 -0.003 0.000 2.437 386 R HA 0.223 4.563 4.340 0.000 0.000 0.257 386 R C 0.497 176.853 176.300 0.093 0.000 0.927 386 R CA 0.456 56.601 56.100 0.076 0.000 1.078 386 R CB 0.798 31.176 30.300 0.130 0.000 1.161 386 R HN 0.663 nan 8.270 nan 0.000 0.529 387 A N 2.068 124.890 122.820 0.003 0.000 2.343 387 A HA 0.213 4.533 4.320 0.000 0.000 0.305 387 A C -0.260 177.376 177.584 0.087 0.000 1.308 387 A CA -0.309 51.678 52.037 -0.084 0.000 0.949 387 A CB 0.330 19.052 19.000 -0.463 0.000 1.148 387 A HN 0.010 nan 8.150 nan 0.000 0.545 388 Q N 1.818 121.692 119.800 0.124 0.000 2.241 388 Q HA 0.576 4.916 4.340 0.000 0.000 0.254 388 Q C -0.983 175.072 176.000 0.091 0.000 0.917 388 Q CA -0.116 55.718 55.803 0.051 0.000 0.919 388 Q CB 2.072 30.670 28.738 -0.233 0.000 1.237 388 Q HN 0.704 nan 8.270 nan 0.000 0.434 389 L N 2.848 124.154 121.223 0.139 0.000 2.381 389 L HA 0.454 4.794 4.340 0.000 0.000 0.274 389 L C -0.841 176.058 176.870 0.048 0.000 0.988 389 L CA -0.991 53.878 54.840 0.048 0.000 0.824 389 L CB 1.748 43.793 42.059 -0.024 0.000 1.263 389 L HN 0.326 nan 8.230 nan 0.000 0.410 390 L N 3.485 124.702 121.223 -0.010 0.000 2.296 390 L HA 0.669 5.009 4.340 0.000 0.000 0.286 390 L C -0.026 176.769 176.870 -0.125 0.000 1.023 390 L CA 0.320 55.140 54.840 -0.034 0.000 0.812 390 L CB 1.561 43.634 42.059 0.024 0.000 1.223 390 L HN 0.748 nan 8.230 nan 0.000 0.421 391 S N 2.812 118.421 115.700 -0.152 0.000 2.661 391 S HA 0.752 5.222 4.470 0.000 0.000 0.285 391 S C -1.333 173.084 174.600 -0.306 0.000 1.138 391 S CA -0.713 57.422 58.200 -0.108 0.000 0.855 391 S CB 1.420 64.742 63.200 0.203 0.000 1.136 391 S HN 0.348 nan 8.310 nan 0.000 0.484 392 Y N 0.931 121.358 120.300 0.212 0.000 2.425 392 Y HA 0.481 5.031 4.550 0.000 0.000 0.344 392 Y C 0.032 176.063 175.900 0.219 0.000 0.969 392 Y CA -0.852 57.370 58.100 0.202 0.000 1.052 392 Y CB 1.415 39.946 38.460 0.118 0.000 1.215 392 Y HN 0.913 nan 8.280 nan 0.000 0.451 393 D N -0.842 119.803 120.400 0.408 0.000 2.478 393 D HA 0.133 4.773 4.640 0.000 0.000 0.274 393 D C 1.127 177.553 176.300 0.210 0.000 1.234 393 D CA -0.206 53.959 54.000 0.275 0.000 1.069 393 D CB 0.323 41.305 40.800 0.303 0.000 1.113 393 D HN 0.370 nan 8.370 nan 0.000 0.571 394 S N -1.857 113.927 115.700 0.141 0.000 2.515 394 S HA -0.156 4.314 4.470 0.000 0.000 0.231 394 S C 0.831 175.395 174.600 -0.061 0.000 0.987 394 S CA 0.622 58.834 58.200 0.021 0.000 0.936 394 S CB -0.759 62.407 63.200 -0.056 0.000 0.766 394 S HN 0.541 nan 8.310 nan 0.000 0.528 395 H N 1.523 120.636 119.070 0.073 0.000 2.520 395 H HA 0.415 4.971 4.556 0.000 0.000 0.284 395 H C 0.327 175.698 175.328 0.070 0.000 1.037 395 H CA -0.208 55.876 56.048 0.061 0.000 1.168 395 H CB -0.520 29.278 29.762 0.059 0.000 1.497 395 H HN 0.501 nan 8.280 nan 0.000 0.547 396 N N -0.728 118.080 118.700 0.180 0.000 2.741 396 N HA -0.195 4.545 4.740 0.000 0.000 0.251 396 N C -0.323 175.327 175.510 0.235 0.000 1.112 396 N CA 0.033 53.171 53.050 0.147 0.000 0.750 396 N CB -0.615 37.877 38.487 0.009 0.000 1.119 396 N HN 0.413 nan 8.380 nan 0.000 0.561 397 A N 0.490 123.460 122.820 0.250 0.000 2.363 397 A HA 0.540 4.860 4.320 0.000 0.000 0.270 397 A C 0.507 178.141 177.584 0.083 0.000 1.121 397 A CA -0.199 51.920 52.037 0.137 0.000 0.800 397 A CB 1.085 20.111 19.000 0.044 0.000 1.052 397 A HN 0.123 nan 8.150 nan 0.000 0.493 398 V N 2.937 122.830 119.914 -0.034 0.000 2.775 398 V HA 0.405 4.525 4.120 0.000 0.000 0.299 398 V C -0.414 175.334 176.094 -0.576 0.000 1.062 398 V CA 0.186 62.346 62.300 -0.233 0.000 1.063 398 V CB 0.636 32.405 31.823 -0.091 0.000 0.994 398 V HN 0.997 nan 8.190 nan 0.000 0.483 399 H N 2.800 121.808 119.070 -0.103 0.000 2.771 399 H HA 0.600 5.156 4.556 0.000 0.000 0.361 399 H C -0.732 174.551 175.328 -0.074 0.000 1.108 399 H CA -0.317 55.708 56.048 -0.039 0.000 1.201 399 H CB 1.931 31.710 29.762 0.028 0.000 1.681 399 H HN 0.643 nan 8.280 nan 0.000 0.534 400 S N 1.785 117.489 115.700 0.007 0.000 2.521 400 S HA 0.564 5.034 4.470 0.000 0.000 0.295 400 S C -1.119 173.485 174.600 0.007 0.000 1.098 400 S CA -0.563 57.585 58.200 -0.087 0.000 0.999 400 S CB 1.263 64.141 63.200 -0.536 0.000 1.034 400 S HN 0.666 nan 8.310 nan 0.000 0.483 401 E N 1.825 122.059 120.200 0.056 0.000 2.331 401 E HA 0.725 5.075 4.350 0.000 0.000 0.275 401 E C -1.309 175.199 176.600 -0.152 0.000 0.895 401 E CA -0.538 55.827 56.400 -0.057 0.000 0.753 401 E CB 1.961 31.659 29.700 -0.004 0.000 1.216 401 E HN 0.748 nan 8.360 nan 0.000 0.434 402 A N 2.915 125.529 122.820 -0.344 0.000 2.337 402 A HA 0.782 5.102 4.320 0.000 0.000 0.329 402 A C -1.525 175.700 177.584 -0.598 0.000 1.146 402 A CA -0.357 51.510 52.037 -0.283 0.000 0.800 402 A CB 0.471 19.406 19.000 -0.107 0.000 1.220 402 A HN 0.541 nan 8.150 nan 0.000 0.472 403 Y N -0.261 120.015 120.300 -0.041 0.000 2.609 403 Y HA 0.320 4.870 4.550 0.000 0.000 0.342 403 Y C 0.680 176.473 175.900 -0.178 0.000 1.058 403 Y CA -0.819 57.238 58.100 -0.072 0.000 1.055 403 Y CB 1.718 40.148 38.460 -0.050 0.000 1.292 403 Y HN 0.711 nan 8.280 nan 0.000 0.476 404 D N 0.716 121.070 120.400 -0.076 0.000 2.123 404 D HA -0.028 4.612 4.640 0.000 0.000 0.200 404 D C -0.450 175.317 176.300 -0.888 0.000 0.976 404 D CA 1.896 55.604 54.000 -0.488 0.000 0.831 404 D CB 0.184 40.697 40.800 -0.479 0.000 0.974 404 D HN 0.192 nan 8.370 nan 0.000 0.469 405 F N -0.858 119.157 119.950 0.108 0.000 2.631 405 F HA 0.430 4.957 4.527 0.000 0.000 0.308 405 F C -0.401 175.355 175.800 -0.073 0.000 1.097 405 F CA -1.123 56.896 58.000 0.032 0.000 0.952 405 F CB 1.979 41.056 39.000 0.130 0.000 1.307 405 F HN -0.444 nan 8.300 nan 0.000 0.450 406 V N 3.186 123.092 119.914 -0.012 0.000 2.760 406 V HA 0.497 4.617 4.120 0.000 0.000 0.309 406 V C -0.585 175.601 176.094 0.154 0.000 1.077 406 V CA -0.744 61.505 62.300 -0.085 0.000 0.910 406 V CB 2.375 34.005 31.823 -0.322 0.000 1.008 406 V HN 0.580 nan 8.190 nan 0.000 0.424 407 I N 5.196 125.859 120.570 0.155 0.000 2.330 407 I HA 0.392 4.562 4.170 0.000 0.000 0.289 407 I C -0.564 175.657 176.117 0.172 0.000 1.001 407 I CA -0.380 61.050 61.300 0.218 0.000 1.193 407 I CB 1.391 39.496 38.000 0.175 0.000 1.345 407 I HN 0.375 nan 8.210 nan 0.000 0.461 408 L N 6.866 128.210 121.223 0.202 0.000 2.302 408 L HA 0.414 4.754 4.340 0.000 0.000 0.285 408 L C 0.757 177.737 176.870 0.183 0.000 1.090 408 L CA -0.136 54.794 54.840 0.150 0.000 0.866 408 L CB 0.775 42.899 42.059 0.108 0.000 1.244 408 L HN 0.699 nan 8.230 nan 0.000 0.435 409 A N 4.400 127.317 122.820 0.162 0.000 3.264 409 A HA 0.543 4.863 4.320 0.000 0.000 0.299 409 A C -0.074 177.595 177.584 0.143 0.000 1.272 409 A CA -0.365 51.773 52.037 0.169 0.000 1.030 409 A CB -0.012 19.069 19.000 0.136 0.000 1.102 409 A HN 0.435 nan 8.150 nan 0.000 0.615 410 V N -2.809 117.212 119.914 0.177 0.000 2.962 410 V HA 0.801 4.921 4.120 0.000 0.000 0.313 410 V C -3.034 173.149 176.094 0.148 0.000 1.099 410 V CA -2.470 59.907 62.300 0.129 0.000 0.971 410 V CB 2.258 34.145 31.823 0.106 0.000 1.028 410 V HN 0.243 nan 8.190 nan 0.000 0.430 411 P HA 0.270 nan 4.420 nan 0.000 0.275 411 P C 0.333 177.656 177.300 0.037 0.000 1.266 411 P CA 0.303 63.367 63.100 -0.059 0.000 0.793 411 P CB 0.503 32.127 31.700 -0.128 0.000 1.074 412 H N -1.342 117.748 119.070 0.033 0.000 2.353 412 H HA -0.102 4.454 4.556 0.000 0.000 0.300 412 H C 1.086 176.476 175.328 0.103 0.000 1.090 412 H CA 1.727 57.869 56.048 0.156 0.000 1.327 412 H CB -0.929 28.919 29.762 0.143 0.000 1.383 412 H HN 0.259 nan 8.280 nan 0.000 0.508 413 D N 0.764 121.051 120.400 -0.187 0.000 2.178 413 D HA -0.131 4.510 4.640 0.000 0.000 0.202 413 D C 1.990 178.293 176.300 0.005 0.000 0.974 413 D CA 1.150 55.117 54.000 -0.054 0.000 0.841 413 D CB -0.136 40.593 40.800 -0.118 0.000 0.953 413 D HN 0.641 nan 8.370 nan 0.000 0.478 414 Q N -0.167 119.635 119.800 0.003 0.000 2.230 414 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 414 Q C 2.051 178.086 176.000 0.058 0.000 0.963 414 Q CA 0.271 56.097 55.803 0.039 0.000 0.866 414 Q CB 0.135 28.901 28.738 0.046 0.000 0.931 414 Q HN 0.144 nan 8.270 nan 0.000 0.452 415 L N 0.180 121.457 121.223 0.089 0.000 2.131 415 L HA -0.070 4.270 4.340 0.000 0.000 0.206 415 L C 2.041 178.934 176.870 0.038 0.000 1.087 415 L CA 1.675 56.561 54.840 0.077 0.000 0.767 415 L CB -0.630 41.514 42.059 0.141 0.000 0.917 415 L HN 0.053 nan 8.230 nan 0.000 0.441 416 T N 1.498 116.091 114.554 0.064 0.000 2.624 416 T HA -0.147 4.203 4.350 0.000 0.000 0.268 416 T C -0.644 174.066 174.700 0.016 0.000 1.041 416 T CA 2.294 64.423 62.100 0.048 0.000 1.159 416 T CB -1.292 67.622 68.868 0.076 0.000 0.863 416 T HN 0.380 nan 8.240 nan 0.000 0.434 417 P HA 0.062 nan 4.420 nan 0.000 0.220 417 P C 1.409 178.700 177.300 -0.015 0.000 1.148 417 P CA 0.966 64.072 63.100 0.010 0.000 0.803 417 P CB -0.286 31.430 31.700 0.026 0.000 0.782 418 I N -0.344 120.208 120.570 -0.030 0.000 2.617 418 I HA -0.109 4.061 4.170 0.000 0.000 0.256 418 I C 2.110 178.146 176.117 -0.135 0.000 1.167 418 I CA 1.136 62.393 61.300 -0.071 0.000 1.469 418 I CB -0.178 37.782 38.000 -0.068 0.000 1.098 418 I HN -0.113 nan 8.210 nan 0.000 0.436 419 V N -3.693 116.143 119.914 -0.130 0.000 3.556 419 V HA 0.226 4.346 4.120 0.000 0.000 0.287 419 V C 1.521 177.522 176.094 -0.154 0.000 1.422 419 V CA 0.601 62.791 62.300 -0.183 0.000 1.038 419 V CB 0.194 31.900 31.823 -0.196 0.000 0.850 419 V HN 0.332 nan 8.190 nan 0.000 0.437 420 S N 0.019 115.657 115.700 -0.103 0.000 2.559 420 S HA 0.300 4.770 4.470 0.000 0.000 0.226 420 S C 1.506 176.026 174.600 -0.133 0.000 1.000 420 S CA -0.227 57.926 58.200 -0.077 0.000 0.948 420 S CB -0.113 63.101 63.200 0.023 0.000 0.870 420 S HN 0.589 nan 8.310 nan 0.000 0.497 421 R N 0.650 121.066 120.500 -0.140 0.000 2.432 421 R HA 0.381 4.721 4.340 0.000 0.000 0.260 421 R C 0.464 176.668 176.300 -0.160 0.000 0.935 421 R CA 0.131 56.161 56.100 -0.117 0.000 1.080 421 R CB 0.258 30.525 30.300 -0.054 0.000 1.155 421 R HN 0.253 nan 8.270 nan 0.000 0.531 422 S N 0.444 115.997 115.700 -0.245 0.000 2.575 422 S HA 0.235 4.705 4.470 0.000 0.000 0.237 422 S C 0.655 175.042 174.600 -0.354 0.000 0.975 422 S CA 0.301 58.353 58.200 -0.246 0.000 0.960 422 S CB 0.918 63.983 63.200 -0.224 0.000 0.822 422 S HN 0.661 nan 8.310 nan 0.000 0.472 423 G N 1.584 110.060 108.800 -0.541 0.000 2.645 423 G HA2 -0.261 3.699 3.960 0.000 0.000 0.246 423 G HA3 -0.261 3.699 3.960 0.000 0.000 0.246 423 G C -0.196 174.065 174.900 -1.066 0.000 1.322 423 G CA 0.131 44.783 45.100 -0.747 0.000 0.898 423 G HN 0.419 nan 8.290 nan 0.000 0.573 424 F N 1.793 121.738 119.950 -0.008 0.000 2.825 424 F HA 0.425 4.952 4.527 0.000 0.000 0.322 424 F C 0.871 176.692 175.800 0.035 0.000 1.127 424 F CA 0.551 58.558 58.000 0.012 0.000 1.164 424 F CB 0.663 39.670 39.000 0.011 0.000 1.101 424 F HN 0.902 nan 8.300 nan 0.000 0.529 425 E N -1.929 118.323 120.200 0.087 0.000 2.425 425 E HA 0.173 4.523 4.350 0.000 0.000 0.272 425 E C -0.968 175.603 176.600 -0.047 0.000 1.061 425 E CA -0.954 55.507 56.400 0.102 0.000 0.877 425 E CB 1.031 30.804 29.700 0.121 0.000 1.590 425 E HN 0.025 nan 8.360 nan 0.000 0.462 426 H N 0.428 119.364 119.070 -0.224 0.000 2.972 426 H HA 0.325 4.881 4.556 0.000 0.000 0.343 426 H C -1.362 173.780 175.328 -0.310 0.000 1.054 426 H CA 1.136 56.828 56.048 -0.593 0.000 1.412 426 H CB 0.808 30.267 29.762 -0.504 0.000 1.385 426 H HN 0.589 nan 8.280 nan 0.000 0.600 427 A N 3.594 125.812 122.820 -1.003 0.000 2.393 427 A HA 0.565 4.885 4.320 0.000 0.000 0.306 427 A C 0.799 177.919 177.584 -0.774 0.000 1.050 427 A CA -0.111 51.554 52.037 -0.620 0.000 0.724 427 A CB 1.216 20.023 19.000 -0.322 0.000 1.248 427 A HN 0.883 nan 8.150 nan 0.000 0.424 428 A N 1.605 124.242 122.820 -0.306 0.000 1.908 428 A HA 0.270 4.590 4.320 0.000 0.000 0.218 428 A C 1.230 178.749 177.584 -0.108 0.000 1.181 428 A CA 2.139 54.118 52.037 -0.096 0.000 0.627 428 A CB -0.507 18.515 19.000 0.037 0.000 0.818 428 A HN 2.200 nan 8.150 nan 0.000 0.445 429 S N -2.505 113.136 115.700 -0.099 0.000 2.547 429 S HA 0.646 5.116 4.470 0.000 0.000 0.270 429 S C -1.292 173.283 174.600 -0.042 0.000 1.150 429 S CA -0.896 57.275 58.200 -0.049 0.000 0.850 429 S CB 1.410 64.596 63.200 -0.024 0.000 1.118 429 S HN 0.386 nan 8.310 nan 0.000 0.461 430 Q N 0.807 120.611 119.800 0.008 0.000 2.359 430 Q HA 0.476 4.816 4.340 0.000 0.000 0.274 430 Q C -1.569 174.471 176.000 0.066 0.000 1.074 430 Q CA -0.900 54.918 55.803 0.025 0.000 0.810 430 Q CB 1.968 30.718 28.738 0.020 0.000 1.342 430 Q HN 0.662 nan 8.270 nan 0.000 0.427 431 N N 2.831 121.554 118.700 0.039 0.000 2.645 431 N HA 0.312 5.052 4.740 0.000 0.000 0.233 431 N C -0.928 174.633 175.510 0.084 0.000 1.058 431 N CA 0.012 53.084 53.050 0.036 0.000 0.942 431 N CB 0.567 39.056 38.487 0.004 0.000 1.210 431 N HN 0.411 nan 8.380 nan 0.000 0.512 432 L N 0.589 121.910 121.223 0.163 0.000 2.399 432 L HA 0.767 5.107 4.340 0.000 0.000 0.265 432 L C 1.203 178.178 176.870 0.175 0.000 1.089 432 L CA -0.404 54.542 54.840 0.177 0.000 0.802 432 L CB 1.237 43.451 42.059 0.258 0.000 1.180 432 L HN 0.567 nan 8.230 nan 0.000 0.454 433 G N 0.904 109.800 108.800 0.159 0.000 2.315 433 G HA2 -0.097 3.863 3.960 0.000 0.000 0.296 433 G HA3 -0.097 3.863 3.960 0.000 0.000 0.296 433 G C -1.456 173.566 174.900 0.203 0.000 1.289 433 G CA -0.808 44.428 45.100 0.227 0.000 0.996 433 G HN 0.470 nan 8.290 nan 0.000 0.487 434 D N 1.367 121.923 120.400 0.261 0.000 2.896 434 D HA 0.497 5.137 4.640 0.000 0.000 0.240 434 D C 1.588 177.906 176.300 0.030 0.000 1.193 434 D CA 0.630 54.687 54.000 0.094 0.000 0.983 434 D CB 0.554 41.356 40.800 0.003 0.000 1.074 434 D HN 0.754 nan 8.370 nan 0.000 0.496 435 A N 0.535 123.385 122.820 0.050 0.000 1.972 435 A HA -0.063 4.257 4.320 0.000 0.000 0.219 435 A C 2.230 179.817 177.584 0.004 0.000 1.169 435 A CA 1.597 53.651 52.037 0.028 0.000 0.635 435 A CB -0.445 18.575 19.000 0.032 0.000 0.810 435 A HN 0.438 nan 8.150 nan 0.000 0.446 436 G N -0.274 108.527 108.800 0.002 0.000 2.448 436 G HA2 -0.090 3.870 3.960 0.000 0.000 0.219 436 G HA3 -0.090 3.870 3.960 0.000 0.000 0.219 436 G C 1.333 176.220 174.900 -0.021 0.000 1.127 436 G CA 0.883 45.980 45.100 -0.006 0.000 0.766 436 G HN 0.471 nan 8.290 nan 0.000 0.552 437 L N 0.279 121.480 121.223 -0.038 0.000 2.610 437 L HA 0.218 4.558 4.340 0.000 0.000 0.232 437 L C 2.059 178.889 176.870 -0.066 0.000 1.149 437 L CA 0.430 55.232 54.840 -0.062 0.000 0.872 437 L CB -0.237 41.760 42.059 -0.104 0.000 0.992 437 L HN 0.358 nan 8.230 nan 0.000 0.447 438 G N 0.606 109.378 108.800 -0.047 0.000 2.143 438 G HA2 -0.267 3.693 3.960 0.000 0.000 0.248 438 G HA3 -0.267 3.693 3.960 0.000 0.000 0.248 438 G C 0.193 175.063 174.900 -0.049 0.000 0.991 438 G CA -0.068 45.010 45.100 -0.037 0.000 0.689 438 G HN 0.240 nan 8.290 nan 0.000 0.522 439 L N 0.026 121.197 121.223 -0.087 0.000 2.421 439 L HA 0.489 4.829 4.340 0.000 0.000 0.263 439 L C 1.043 177.945 176.870 0.054 0.000 1.122 439 L CA -0.800 53.976 54.840 -0.107 0.000 0.804 439 L CB 0.951 42.727 42.059 -0.472 0.000 1.150 439 L HN 0.310 nan 8.230 nan 0.000 0.457 440 E N 0.837 121.125 120.200 0.147 0.000 2.384 440 E HA 0.091 4.441 4.350 0.000 0.000 0.266 440 E C -0.563 176.162 176.600 0.210 0.000 1.012 440 E CA -0.398 56.092 56.400 0.150 0.000 0.901 440 E CB 0.898 30.673 29.700 0.125 0.000 0.967 440 E HN 0.634 nan 8.360 nan 0.000 0.435 441 T N 1.428 116.055 114.554 0.121 0.000 2.936 441 T HA 0.340 4.690 4.350 0.000 0.000 0.282 441 T C -0.625 174.118 174.700 0.072 0.000 1.003 441 T CA -0.733 61.436 62.100 0.114 0.000 1.005 441 T CB 1.217 70.133 68.868 0.079 0.000 1.097 441 T HN 0.613 nan 8.240 nan 0.000 0.532 442 H N -0.784 118.241 119.070 -0.075 0.000 2.667 442 H HA 0.470 5.026 4.556 0.000 0.000 0.353 442 H C -0.826 174.314 175.328 -0.314 0.000 1.072 442 H CA -0.461 55.447 56.048 -0.233 0.000 1.214 442 H CB 1.521 31.068 29.762 -0.359 0.000 1.600 442 H HN 0.721 nan 8.280 nan 0.000 0.527 443 T N 5.441 119.644 114.554 -0.584 0.000 2.761 443 T HA 0.151 4.501 4.350 0.000 0.000 0.296 443 T C -0.846 173.610 174.700 -0.406 0.000 0.934 443 T CA 0.007 61.892 62.100 -0.358 0.000 1.091 443 T CB -0.303 68.406 68.868 -0.265 0.000 0.896 443 T HN 0.325 nan 8.240 nan 0.000 0.515 444 Y N 2.487 122.816 120.300 0.047 0.000 2.387 444 Y HA 0.449 4.999 4.550 0.000 0.000 0.336 444 Y C 0.832 176.735 175.900 0.005 0.000 1.067 444 Y CA -1.109 57.037 58.100 0.076 0.000 1.114 444 Y CB 1.265 39.783 38.460 0.097 0.000 1.208 444 Y HN 0.491 nan 8.280 nan 0.000 0.458 445 N N 2.402 121.205 118.700 0.172 0.000 2.314 445 N HA 0.196 4.936 4.740 0.000 0.000 0.304 445 N C -1.194 174.363 175.510 0.078 0.000 1.073 445 N CA -0.603 52.493 53.050 0.078 0.000 0.822 445 N CB 1.731 40.254 38.487 0.060 0.000 1.280 445 N HN 0.597 nan 8.380 nan 0.000 0.489 446 Q N -0.662 119.142 119.800 0.006 0.000 2.457 446 Q HA -0.120 4.220 4.340 0.000 0.000 0.333 446 Q C -0.974 174.994 176.000 -0.053 0.000 1.448 446 Q CA 0.454 56.270 55.803 0.022 0.000 0.891 446 Q CB -1.815 27.043 28.738 0.200 0.000 1.142 446 Q HN 0.375 nan 8.270 nan 0.000 0.375 447 V N 1.279 121.010 119.914 -0.304 0.000 2.481 447 V HA 0.515 4.635 4.120 0.000 0.000 0.286 447 V C 0.105 175.962 176.094 -0.394 0.000 1.042 447 V CA -0.302 61.882 62.300 -0.194 0.000 0.928 447 V CB 0.947 32.670 31.823 -0.167 0.000 0.986 447 V HN 0.303 nan 8.190 nan 0.000 0.462 448 Y N 4.205 124.504 120.300 -0.000 0.000 2.524 448 Y HA 0.531 5.081 4.550 0.000 0.000 0.344 448 Y C -2.209 173.703 175.900 0.019 0.000 1.012 448 Y CA -2.742 55.372 58.100 0.023 0.000 1.068 448 Y CB 2.091 40.584 38.460 0.054 0.000 1.249 448 Y HN 0.437 nan 8.280 nan 0.000 0.468 449 P HA -0.006 nan 4.420 nan 0.000 0.268 449 P C -2.150 175.174 177.300 0.040 0.000 1.208 449 P CA -1.152 61.939 63.100 -0.016 0.000 0.777 449 P CB 0.515 32.192 31.700 -0.038 0.000 0.875 450 P HA -0.035 nan 4.420 nan 0.000 0.217 450 P C 0.482 177.626 177.300 -0.261 0.000 1.154 450 P CA 1.395 64.085 63.100 -0.683 0.000 0.841 450 P CB 0.240 31.146 31.700 -1.325 0.000 0.788 451 L N 0.707 121.826 121.223 -0.172 0.000 2.422 451 L HA 0.213 4.553 4.340 0.000 0.000 0.256 451 L C 0.421 177.346 176.870 0.092 0.000 1.202 451 L CA -0.762 54.067 54.840 -0.019 0.000 1.119 451 L CB -0.327 41.621 42.059 -0.185 0.000 1.383 451 L HN -0.089 nan 8.230 nan 0.000 0.411 452 L N 2.639 123.912 121.223 0.084 0.000 2.328 452 L HA 0.185 4.525 4.340 0.000 0.000 0.280 452 L C 0.834 177.669 176.870 -0.059 0.000 1.111 452 L CA 0.458 55.313 54.840 0.024 0.000 0.909 452 L CB 0.449 42.493 42.059 -0.025 0.000 1.277 452 L HN 0.489 nan 8.230 nan 0.000 0.433 453 L N 1.468 122.702 121.223 0.019 0.000 2.418 453 L HA 0.183 4.523 4.340 0.000 0.000 0.218 453 L C 0.735 177.606 176.870 0.002 0.000 1.125 453 L CA 0.419 55.263 54.840 0.005 0.000 0.835 453 L CB -0.055 42.047 42.059 0.071 0.000 0.953 453 L HN 0.655 nan 8.230 nan 0.000 0.454 454 S N -1.505 114.206 115.700 0.018 0.000 2.543 454 S HA 0.207 4.677 4.470 0.000 0.000 0.271 454 S C -0.139 174.480 174.600 0.031 0.000 1.148 454 S CA -0.722 57.490 58.200 0.020 0.000 0.914 454 S CB 1.430 64.655 63.200 0.041 0.000 1.096 454 S HN 0.030 nan 8.310 nan 0.000 0.471 455 D N 1.982 122.385 120.400 0.005 0.000 2.347 455 D HA 0.046 4.686 4.640 0.000 0.000 0.215 455 D C 1.473 177.822 176.300 0.081 0.000 0.976 455 D CA 1.278 55.291 54.000 0.022 0.000 0.884 455 D CB 0.383 41.155 40.800 -0.046 0.000 0.915 455 D HN 0.538 nan 8.370 nan 0.000 0.526 456 S N -1.862 113.877 115.700 0.065 0.000 2.679 456 S HA 0.085 4.555 4.470 0.000 0.000 0.258 456 S C 0.542 175.179 174.600 0.062 0.000 1.068 456 S CA -0.471 57.768 58.200 0.064 0.000 1.115 456 S CB 0.630 63.854 63.200 0.040 0.000 1.078 456 S HN -0.038 nan 8.310 nan 0.000 0.603 457 S N 2.721 118.459 115.700 0.062 0.000 2.601 457 S HA 0.566 5.036 4.470 0.000 0.000 0.312 457 S C -2.195 172.447 174.600 0.070 0.000 1.107 457 S CA -1.535 56.697 58.200 0.053 0.000 1.129 457 S CB 1.207 64.429 63.200 0.037 0.000 0.982 457 S HN 0.075 nan 8.310 nan 0.000 0.469 458 P HA -0.048 nan 4.420 nan 0.000 0.218 458 P C 1.375 178.683 177.300 0.013 0.000 1.148 458 P CA 1.137 64.299 63.100 0.105 0.000 0.822 458 P CB 0.108 31.873 31.700 0.108 0.000 0.784 459 A N 0.115 122.922 122.820 -0.021 0.000 1.902 459 A HA -0.081 4.239 4.320 0.000 0.000 0.217 459 A C 2.337 179.897 177.584 -0.040 0.000 1.181 459 A CA 1.989 53.986 52.037 -0.068 0.000 0.623 459 A CB -1.528 17.446 19.000 -0.044 0.000 0.818 459 A HN 0.204 nan 8.150 nan 0.000 0.443 460 A N 0.399 123.224 122.820 0.009 0.000 1.902 460 A HA -0.190 4.130 4.320 0.000 0.000 0.217 460 A C 1.894 179.512 177.584 0.055 0.000 1.181 460 A CA 1.749 53.805 52.037 0.032 0.000 0.623 460 A CB -0.607 18.418 19.000 0.042 0.000 0.818 460 A HN 0.543 nan 8.150 nan 0.000 0.443 461 N N 0.513 119.267 118.700 0.091 0.000 2.244 461 N HA -0.079 4.661 4.740 0.000 0.000 0.183 461 N C 1.798 177.420 175.510 0.187 0.000 1.016 461 N CA 1.459 54.611 53.050 0.170 0.000 0.866 461 N CB -0.537 38.106 38.487 0.260 0.000 0.980 461 N HN 0.483 nan 8.380 nan 0.000 0.430 462 A N 1.354 124.140 122.820 -0.057 0.000 1.930 462 A HA -0.047 4.273 4.320 0.000 0.000 0.217 462 A C 2.260 179.759 177.584 -0.142 0.000 1.175 462 A CA 0.802 52.598 52.037 -0.401 0.000 0.627 462 A CB -0.170 18.351 19.000 -0.797 0.000 0.815 462 A HN 0.039 nan 8.150 nan 0.000 0.443 463 R N -0.660 119.802 120.500 -0.063 0.000 2.073 463 R HA -0.127 4.213 4.340 0.000 0.000 0.234 463 R C 1.978 178.291 176.300 0.020 0.000 1.134 463 R CA 1.611 57.702 56.100 -0.017 0.000 0.952 463 R CB -0.961 29.346 30.300 0.011 0.000 0.850 463 R HN 0.589 nan 8.270 nan 0.000 0.433 464 I N 0.472 121.070 120.570 0.046 0.000 2.252 464 I HA -0.201 3.969 4.170 0.000 0.000 0.245 464 I C 2.079 178.200 176.117 0.006 0.000 1.102 464 I CA 1.167 62.486 61.300 0.032 0.000 1.385 464 I CB -0.233 37.794 38.000 0.046 0.000 1.064 464 I HN -0.163 nan 8.210 nan 0.000 0.414 465 V N 0.813 120.760 119.914 0.056 0.000 2.295 465 V HA -0.297 3.824 4.120 0.000 0.000 0.246 465 V C 2.701 178.838 176.094 0.072 0.000 1.049 465 V CA 2.425 64.777 62.300 0.086 0.000 1.024 465 V CB -1.545 30.436 31.823 0.264 0.000 0.648 465 V HN 0.692 nan 8.190 nan 0.000 0.447 466 T N -1.037 113.546 114.554 0.049 0.000 2.788 466 T HA -0.140 4.210 4.350 0.000 0.000 0.268 466 T C 1.911 176.629 174.700 0.030 0.000 1.044 466 T CA 1.500 63.617 62.100 0.028 0.000 1.139 466 T CB -0.479 68.375 68.868 -0.023 0.000 0.867 466 T HN 0.458 nan 8.240 nan 0.000 0.454 467 A N 1.866 124.701 122.820 0.026 0.000 1.865 467 A HA 0.066 4.386 4.320 0.000 0.000 0.217 467 A C 2.417 180.017 177.584 0.026 0.000 1.191 467 A CA 1.595 53.651 52.037 0.030 0.000 0.623 467 A CB -0.961 18.063 19.000 0.040 0.000 0.826 467 A HN 0.574 nan 8.150 nan 0.000 0.444 468 I N -0.243 120.348 120.570 0.035 0.000 2.208 468 I HA -0.236 3.934 4.170 0.000 0.000 0.245 468 I C 2.582 178.756 176.117 0.095 0.000 1.097 468 I CA 1.286 62.632 61.300 0.076 0.000 1.363 468 I CB -0.509 37.525 38.000 0.057 0.000 1.051 468 I HN 0.416 nan 8.210 nan 0.000 0.413 469 G N -0.492 108.361 108.800 0.089 0.000 2.509 469 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 469 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 469 G C 1.369 176.331 174.900 0.104 0.000 1.124 469 G CA 0.322 45.491 45.100 0.115 0.000 0.776 469 G HN 0.300 nan 8.290 nan 0.000 0.547 470 Q N -0.197 119.636 119.800 0.054 0.000 2.179 470 Q HA 0.328 4.668 4.340 0.000 0.000 0.213 470 Q C 0.607 176.607 176.000 0.000 0.000 0.833 470 Q CA -0.220 55.610 55.803 0.046 0.000 0.990 470 Q CB 0.618 29.382 28.738 0.043 0.000 1.132 470 Q HN 0.397 nan 8.270 nan 0.000 0.493 471 L N 0.905 122.038 121.223 -0.149 0.000 2.467 471 L HA 0.107 4.447 4.340 0.000 0.000 0.270 471 L C 0.874 177.660 176.870 -0.140 0.000 1.205 471 L CA -0.090 54.560 54.840 -0.317 0.000 0.828 471 L CB 0.272 41.826 42.059 -0.841 0.000 1.101 471 L HN 0.162 nan 8.230 nan 0.000 0.479 472 H N 3.369 122.395 119.070 -0.074 0.000 2.705 472 H HA 0.193 4.749 4.556 0.000 0.000 0.291 472 H C -0.807 174.620 175.328 0.164 0.000 1.085 472 H CA -0.966 55.124 56.048 0.069 0.000 1.357 472 H CB 1.370 31.151 29.762 0.032 0.000 1.419 472 H HN 0.411 nan 8.280 nan 0.000 0.462 473 M N 5.088 124.546 119.600 -0.236 0.000 2.105 473 M HA 0.286 4.766 4.480 0.000 0.000 0.350 473 M C -0.392 175.524 176.300 -0.641 0.000 1.308 473 M CA -0.282 54.852 55.300 -0.276 0.000 1.108 473 M CB 0.260 32.738 32.600 -0.203 0.000 1.622 473 M HN 0.634 nan 8.290 nan 0.000 0.468 474 A N 5.300 127.788 122.820 -0.554 0.000 2.477 474 A HA 0.462 4.782 4.320 0.000 0.000 0.246 474 A C -0.054 177.331 177.584 -0.331 0.000 1.078 474 A CA -0.284 51.493 52.037 -0.434 0.000 0.770 474 A CB 0.151 18.847 19.000 -0.507 0.000 1.011 474 A HN 0.843 nan 8.150 nan 0.000 0.494 475 R N 1.152 121.578 120.500 -0.124 0.000 2.490 475 R HA 0.574 4.914 4.340 0.000 0.000 0.280 475 R C 0.056 176.408 176.300 0.087 0.000 1.077 475 R CA 0.339 56.441 56.100 0.003 0.000 1.065 475 R CB 0.970 31.307 30.300 0.061 0.000 1.003 475 R HN 0.679 nan 8.270 nan 0.000 0.470 476 S N 0.337 116.159 115.700 0.204 0.000 2.543 476 S HA 0.642 5.112 4.470 0.000 0.000 0.274 476 S C -1.587 173.284 174.600 0.451 0.000 1.149 476 S CA -0.688 57.719 58.200 0.347 0.000 0.866 476 S CB 1.189 64.640 63.200 0.418 0.000 1.111 476 S HN 0.507 nan 8.310 nan 0.000 0.457 477 S N 2.531 118.483 115.700 0.420 0.000 2.546 477 S HA 0.619 5.089 4.470 0.000 0.000 0.274 477 S C -1.649 173.131 174.600 0.300 0.000 1.121 477 S CA -1.038 57.361 58.200 0.332 0.000 0.887 477 S CB 1.845 65.212 63.200 0.277 0.000 1.094 477 S HN 0.642 nan 8.310 nan 0.000 0.474 478 K N 1.468 121.984 120.400 0.194 0.000 2.426 478 K HA 0.606 4.926 4.320 0.000 0.000 0.254 478 K C -1.482 175.128 176.600 0.017 0.000 0.936 478 K CA -0.687 55.654 56.287 0.089 0.000 0.801 478 K CB 2.186 34.763 32.500 0.129 0.000 1.139 478 K HN 0.364 nan 8.250 nan 0.000 0.424 479 V N 4.457 124.313 119.914 -0.097 0.000 2.370 479 V HA 0.468 4.588 4.120 0.000 0.000 0.279 479 V C -0.734 175.285 176.094 -0.126 0.000 1.029 479 V CA -0.563 61.717 62.300 -0.033 0.000 0.870 479 V CB 0.238 32.059 31.823 -0.004 0.000 0.984 479 V HN 0.564 nan 8.190 nan 0.000 0.451 480 F N 2.437 122.375 119.950 -0.020 0.000 2.577 480 F HA 0.893 5.420 4.527 0.000 0.000 0.318 480 F C 0.351 175.940 175.800 -0.350 0.000 1.065 480 F CA -0.397 57.381 58.000 -0.370 0.000 0.929 480 F CB 2.252 40.466 39.000 -1.310 0.000 1.237 480 F HN 0.614 nan 8.300 nan 0.000 0.468 481 A N 0.514 123.280 122.820 -0.091 0.000 2.583 481 A HA 0.833 5.153 4.320 0.000 0.000 0.289 481 A C -1.333 176.325 177.584 0.124 0.000 1.151 481 A CA -0.728 51.252 52.037 -0.095 0.000 0.695 481 A CB 1.427 20.163 19.000 -0.439 0.000 1.290 481 A HN 0.554 nan 8.150 nan 0.000 0.419 482 T N 0.516 115.137 114.554 0.111 0.000 2.797 482 T HA 0.593 4.943 4.350 0.000 0.000 0.279 482 T C -1.036 173.741 174.700 0.129 0.000 0.991 482 T CA -0.323 61.864 62.100 0.145 0.000 0.979 482 T CB 1.196 70.074 68.868 0.017 0.000 0.943 482 T HN 1.129 nan 8.240 nan 0.000 0.444 483 V N 3.486 123.524 119.914 0.207 0.000 2.876 483 V HA 0.495 4.615 4.120 0.000 0.000 0.312 483 V C -0.937 175.305 176.094 0.247 0.000 1.085 483 V CA -1.102 61.316 62.300 0.197 0.000 0.945 483 V CB 2.093 34.005 31.823 0.147 0.000 1.017 483 V HN 0.707 nan 8.190 nan 0.000 0.428 484 K N 3.116 123.613 120.400 0.162 0.000 2.412 484 K HA 0.149 4.470 4.320 0.000 0.000 0.281 484 K C 1.159 177.755 176.600 -0.007 0.000 1.027 484 K CA 0.261 56.542 56.287 -0.010 0.000 0.989 484 K CB 1.044 33.501 32.500 -0.072 0.000 0.935 484 K HN 0.855 nan 8.250 nan 0.000 0.475 485 T N 1.776 116.298 114.554 -0.055 0.000 2.833 485 T HA -0.172 4.178 4.350 0.000 0.000 0.269 485 T C 1.787 176.455 174.700 -0.053 0.000 1.054 485 T CA 1.576 63.658 62.100 -0.028 0.000 1.135 485 T CB 0.009 68.854 68.868 -0.038 0.000 0.869 485 T HN 0.715 nan 8.240 nan 0.000 0.466 486 A N 1.327 124.099 122.820 -0.080 0.000 2.125 486 A HA 0.202 4.522 4.320 0.000 0.000 0.219 486 A C 2.602 180.129 177.584 -0.095 0.000 1.156 486 A CA 1.485 53.469 52.037 -0.087 0.000 0.671 486 A CB -0.908 18.039 19.000 -0.088 0.000 0.794 486 A HN 0.510 nan 8.150 nan 0.000 0.459 487 A N 0.051 122.835 122.820 -0.061 0.000 1.948 487 A HA -0.120 4.200 4.320 0.000 0.000 0.220 487 A C 2.008 179.455 177.584 -0.228 0.000 1.177 487 A CA 1.532 53.522 52.037 -0.078 0.000 0.636 487 A CB -0.575 18.462 19.000 0.062 0.000 0.815 487 A HN 0.515 nan 8.150 nan 0.000 0.449 488 L N -0.425 120.713 121.223 -0.143 0.000 2.362 488 L HA -0.133 4.207 4.340 0.000 0.000 0.219 488 L C 1.002 177.721 176.870 -0.251 0.000 1.134 488 L CA 0.869 55.609 54.840 -0.167 0.000 0.807 488 L CB -0.386 41.628 42.059 -0.076 0.000 0.927 488 L HN 0.311 nan 8.230 nan 0.000 0.447 489 D N -1.052 119.204 120.400 -0.239 0.000 2.340 489 D HA -0.004 4.636 4.640 0.000 0.000 0.220 489 D C 0.854 176.972 176.300 -0.303 0.000 1.039 489 D CA 0.283 54.147 54.000 -0.227 0.000 0.866 489 D CB 0.148 40.855 40.800 -0.154 0.000 0.913 489 D HN 0.276 nan 8.370 nan 0.000 0.523 490 Q N 1.091 120.596 119.800 -0.491 0.000 2.394 490 Q HA 0.062 4.402 4.340 0.000 0.000 0.248 490 Q C -1.359 174.276 176.000 -0.608 0.000 0.992 490 Q CA -1.105 54.305 55.803 -0.655 0.000 0.888 490 Q CB 0.931 28.899 28.738 -1.283 0.000 1.257 490 Q HN 0.061 nan 8.270 nan 0.000 0.462 491 P HA -0.142 nan 4.420 nan 0.000 0.222 491 P C 0.989 178.219 177.300 -0.117 0.000 1.147 491 P CA 1.341 64.330 63.100 -0.184 0.000 0.790 491 P CB -0.161 31.516 31.700 -0.040 0.000 0.780 492 W N -0.079 121.201 121.300 -0.033 0.000 2.800 492 W HA 0.176 4.837 4.660 0.000 0.000 0.249 492 W C -0.379 176.077 176.519 -0.105 0.000 1.294 492 W CA -0.195 57.140 57.345 -0.016 0.000 1.402 492 W CB -0.911 28.589 29.460 0.067 0.000 1.126 492 W HN -0.333 nan 8.180 nan 0.000 0.652 493 V N 4.686 124.369 119.914 -0.384 0.000 2.406 493 V HA 0.175 4.295 4.120 0.000 0.000 0.272 493 V C -1.737 173.990 176.094 -0.612 0.000 1.043 493 V CA -1.729 60.231 62.300 -0.567 0.000 0.915 493 V CB 0.757 32.277 31.823 -0.504 0.000 0.988 493 V HN -0.298 nan 8.190 nan 0.000 0.466 494 P HA 0.162 nan 4.420 nan 0.000 0.269 494 P C -0.661 176.440 177.300 -0.333 0.000 1.209 494 P CA -0.140 62.630 63.100 -0.550 0.000 0.776 494 P CB 0.480 31.800 31.700 -0.632 0.000 0.876 495 Q N 1.273 120.971 119.800 -0.169 0.000 2.266 495 Q HA 0.417 4.757 4.340 0.000 0.000 0.261 495 Q C -1.022 175.039 176.000 0.101 0.000 0.985 495 Q CA -0.159 55.602 55.803 -0.070 0.000 0.873 495 Q CB 2.680 31.364 28.738 -0.089 0.000 1.306 495 Q HN 0.664 nan 8.270 nan 0.000 0.447 496 W N 3.193 124.415 121.300 -0.130 0.000 3.211 496 W HA 0.204 4.864 4.660 0.000 0.000 0.335 496 W C -0.524 175.948 176.519 -0.078 0.000 1.113 496 W CA -0.456 56.831 57.345 -0.096 0.000 1.235 496 W CB 1.049 30.448 29.460 -0.100 0.000 1.365 496 W HN 0.646 nan 8.180 nan 0.000 0.476 497 R N 3.332 123.316 120.500 -0.859 0.000 3.322 497 R HA -0.204 4.136 4.340 0.000 0.000 0.253 497 R C 0.791 176.915 176.300 -0.294 0.000 0.987 497 R CA 1.632 57.367 56.100 -0.608 0.000 0.666 497 R CB -2.020 27.911 30.300 -0.616 0.000 1.072 497 R HN 1.316 nan 8.270 nan 0.000 0.447 498 G N -1.355 107.309 108.800 -0.227 0.000 2.176 498 G HA2 -0.284 3.676 3.960 0.000 0.000 0.253 498 G HA3 -0.284 3.676 3.960 0.000 0.000 0.253 498 G C -0.129 174.703 174.900 -0.112 0.000 0.979 498 G CA 0.559 45.570 45.100 -0.149 0.000 0.641 498 G HN 0.392 nan 8.290 nan 0.000 0.530 499 E N 0.120 120.259 120.200 -0.101 0.000 2.383 499 E HA 0.463 4.813 4.350 0.000 0.000 0.275 499 E C -2.799 173.759 176.600 -0.070 0.000 0.918 499 E CA -1.732 54.621 56.400 -0.078 0.000 0.764 499 E CB 2.638 32.299 29.700 -0.065 0.000 1.252 499 E HN 0.097 nan 8.360 nan 0.000 0.449 500 P HA 0.148 nan 4.420 nan 0.000 0.272 500 P C 0.235 177.496 177.300 -0.065 0.000 1.223 500 P CA -0.365 62.672 63.100 -0.104 0.000 0.784 500 P CB 0.639 32.272 31.700 -0.112 0.000 0.923 501 I N 2.519 123.037 120.570 -0.087 0.000 2.683 501 I HA -0.030 4.140 4.170 0.000 0.000 0.286 501 I C 1.428 177.577 176.117 0.055 0.000 1.175 501 I CA 0.888 62.179 61.300 -0.014 0.000 1.429 501 I CB -0.394 37.610 38.000 0.006 0.000 1.371 501 I HN 0.460 nan 8.210 nan 0.000 0.569 502 K N 4.086 124.503 120.400 0.029 0.000 2.477 502 K HA 0.427 4.747 4.320 0.000 0.000 0.208 502 K C -0.164 176.445 176.600 0.015 0.000 1.117 502 K CA -0.032 56.284 56.287 0.049 0.000 1.039 502 K CB 1.250 33.766 32.500 0.027 0.000 0.937 502 K HN 0.687 nan 8.250 nan 0.000 0.570 503 A N 0.967 123.745 122.820 -0.070 0.000 2.455 503 A HA 0.658 4.978 4.320 0.000 0.000 0.300 503 A C -1.232 176.203 177.584 -0.250 0.000 1.040 503 A CA -0.581 51.324 52.037 -0.220 0.000 0.697 503 A CB 1.620 20.495 19.000 -0.208 0.000 1.265 503 A HN -0.055 nan 8.150 nan 0.000 0.407 504 V N 2.564 122.251 119.914 -0.378 0.000 2.525 504 V HA 0.476 4.596 4.120 0.000 0.000 0.299 504 V C -0.712 175.239 176.094 -0.238 0.000 1.034 504 V CA -0.530 61.561 62.300 -0.347 0.000 0.863 504 V CB 1.696 33.015 31.823 -0.840 0.000 0.999 504 V HN 0.711 nan 8.190 nan 0.000 0.423 505 V N 4.581 124.468 119.914 -0.045 0.000 2.384 505 V HA 0.806 4.926 4.120 0.000 0.000 0.287 505 V C 0.042 176.193 176.094 0.094 0.000 1.020 505 V CA -0.147 62.178 62.300 0.041 0.000 0.850 505 V CB 1.739 33.638 31.823 0.126 0.000 0.987 505 V HN 1.037 nan 8.190 nan 0.000 0.436 506 S N 1.770 117.494 115.700 0.040 0.000 2.579 506 S HA 0.483 4.954 4.470 0.000 0.000 0.272 506 S C -0.342 174.240 174.600 -0.030 0.000 1.141 506 S CA -0.606 57.576 58.200 -0.030 0.000 0.843 506 S CB 2.123 65.362 63.200 0.066 0.000 1.122 506 S HN 0.735 nan 8.310 nan 0.000 0.468 507 D N 0.404 120.739 120.400 -0.107 0.000 2.395 507 D HA 0.074 4.714 4.640 0.000 0.000 0.226 507 D C 1.335 177.572 176.300 -0.105 0.000 1.146 507 D CA 0.234 54.188 54.000 -0.076 0.000 0.830 507 D CB -0.364 40.384 40.800 -0.086 0.000 0.958 507 D HN 0.479 nan 8.370 nan 0.000 0.501 508 S N -1.168 114.481 115.700 -0.084 0.000 2.515 508 S HA 0.225 4.695 4.470 0.000 0.000 0.231 508 S C 1.878 176.485 174.600 0.012 0.000 0.987 508 S CA 0.486 58.660 58.200 -0.044 0.000 0.936 508 S CB -0.326 62.928 63.200 0.090 0.000 0.766 508 S HN 0.564 nan 8.310 nan 0.000 0.528 509 G N 1.002 109.811 108.800 0.016 0.000 2.238 509 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 509 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 509 G C 0.644 175.567 174.900 0.040 0.000 0.996 509 G CA 0.173 45.288 45.100 0.026 0.000 0.632 509 G HN 0.482 nan 8.290 nan 0.000 0.503 510 L N 0.339 121.601 121.223 0.065 0.000 2.341 510 L HA 0.421 4.761 4.340 0.000 0.000 0.214 510 L C 2.731 179.619 176.870 0.030 0.000 1.115 510 L CA 1.142 56.023 54.840 0.068 0.000 0.820 510 L CB -0.393 41.742 42.059 0.125 0.000 0.944 510 L HN 1.264 nan 8.230 nan 0.000 0.452 511 A N 0.079 122.908 122.820 0.015 0.000 1.282 511 A HA -0.293 4.027 4.320 0.000 0.000 0.224 511 A C 0.741 178.297 177.584 -0.046 0.000 0.457 511 A CA 1.334 53.353 52.037 -0.030 0.000 1.095 511 A CB -1.675 17.264 19.000 -0.101 0.000 1.470 511 A HN 0.733 nan 8.150 nan 0.000 0.723 512 A N -1.224 121.557 122.820 -0.066 0.000 2.459 512 A HA 0.735 5.055 4.320 0.000 0.000 0.296 512 A C -0.356 177.191 177.584 -0.061 0.000 1.039 512 A CA 0.781 52.756 52.037 -0.103 0.000 0.698 512 A CB 1.498 20.470 19.000 -0.046 0.000 1.261 512 A HN 1.687 nan 8.150 nan 0.000 0.405 513 S N 0.496 116.027 115.700 -0.281 0.000 2.541 513 S HA 0.836 5.306 4.470 0.000 0.000 0.280 513 S C -1.589 172.793 174.600 -0.365 0.000 1.112 513 S CA -0.358 57.775 58.200 -0.112 0.000 0.925 513 S CB 1.091 64.320 63.200 0.048 0.000 1.067 513 S HN 0.546 nan 8.310 nan 0.000 0.479 514 Y N -0.132 120.229 120.300 0.102 0.000 2.504 514 Y HA 0.512 5.062 4.550 0.000 0.000 0.344 514 Y C -0.626 175.349 175.900 0.124 0.000 1.023 514 Y CA -1.103 57.061 58.100 0.107 0.000 1.020 514 Y CB 1.602 40.148 38.460 0.143 0.000 1.282 514 Y HN 0.380 nan 8.280 nan 0.000 0.454 515 V N 3.994 124.056 119.914 0.246 0.000 2.266 515 V HA 0.341 4.461 4.120 0.000 0.000 0.271 515 V C -0.595 175.591 176.094 0.153 0.000 1.032 515 V CA -0.747 61.674 62.300 0.201 0.000 0.806 515 V CB 0.593 32.524 31.823 0.181 0.000 1.052 515 V HN 0.552 nan 8.190 nan 0.000 0.449 516 V N 7.035 127.049 119.914 0.167 0.000 2.407 516 V HA 0.359 4.479 4.120 0.000 0.000 0.278 516 V C -2.095 174.055 176.094 0.093 0.000 1.037 516 V CA -2.087 60.273 62.300 0.099 0.000 0.900 516 V CB 1.706 33.603 31.823 0.123 0.000 0.983 516 V HN 0.598 nan 8.190 nan 0.000 0.459 517 P HA 0.033 nan 4.420 nan 0.000 0.266 517 P C 0.078 177.417 177.300 0.065 0.000 1.195 517 P CA 0.260 63.390 63.100 0.049 0.000 0.768 517 P CB 0.453 32.161 31.700 0.014 0.000 0.838 518 S N 3.736 119.485 115.700 0.082 0.000 2.558 518 S HA 0.096 4.566 4.470 0.000 0.000 0.288 518 S C -1.302 173.325 174.600 0.045 0.000 1.318 518 S CA -0.870 57.373 58.200 0.073 0.000 1.056 518 S CB -0.331 62.926 63.200 0.095 0.000 0.853 518 S HN 0.342 nan 8.310 nan 0.000 0.505 519 P HA 0.223 nan 4.420 nan 0.000 0.255 519 P C -0.152 177.156 177.300 0.013 0.000 1.248 519 P CA 0.244 63.357 63.100 0.023 0.000 0.807 519 P CB -0.137 31.579 31.700 0.027 0.000 1.150 520 I N 0.619 121.198 120.570 0.015 0.000 2.241 520 I HA 0.280 4.450 4.170 0.000 0.000 0.294 520 I C 0.329 176.459 176.117 0.021 0.000 1.145 520 I CA -0.254 61.053 61.300 0.011 0.000 1.261 520 I CB 0.597 38.600 38.000 0.005 0.000 1.475 520 I HN -0.185 nan 8.210 nan 0.000 0.533 527 P HA 0.302 nan 4.420 nan 0.000 0.279 527 P C 0.553 177.821 177.300 -0.054 0.000 1.239 527 P CA -0.146 62.949 63.100 -0.009 0.000 0.789 527 P CB 1.274 32.991 31.700 0.028 0.000 0.933 528 E N 1.184 121.322 120.200 -0.102 0.000 2.118 528 E HA -0.173 4.177 4.350 0.000 0.000 0.195 528 E C -0.314 176.018 176.600 -0.448 0.000 0.992 528 E CA 1.128 57.342 56.400 -0.310 0.000 0.804 528 E CB -0.018 29.436 29.700 -0.410 0.000 0.741 528 E HN 0.488 nan 8.360 nan 0.000 0.458 529 Y N -0.781 119.523 120.300 0.006 0.000 2.549 529 Y HA 0.420 4.970 4.550 0.000 0.000 0.339 529 Y C -0.118 175.801 175.900 0.032 0.000 1.053 529 Y CA -0.914 57.197 58.100 0.018 0.000 1.105 529 Y CB 2.313 40.779 38.460 0.010 0.000 1.258 529 Y HN -0.244 nan 8.280 nan 0.000 0.478 530 S N 0.035 115.879 115.700 0.241 0.000 2.568 530 S HA 0.477 4.947 4.470 0.000 0.000 0.293 530 S C -1.016 173.723 174.600 0.233 0.000 1.089 530 S CA -1.006 57.308 58.200 0.190 0.000 0.945 530 S CB 1.553 64.840 63.200 0.146 0.000 1.077 530 S HN 0.508 nan 8.310 nan 0.000 0.485 531 S N 2.060 117.909 115.700 0.249 0.000 2.439 531 S HA 0.295 4.765 4.470 0.000 0.000 0.282 531 S C -0.304 174.489 174.600 0.321 0.000 1.170 531 S CA -0.472 57.943 58.200 0.359 0.000 1.054 531 S CB -0.046 63.408 63.200 0.423 0.000 0.956 531 S HN 0.554 nan 8.310 nan 0.000 0.490 532 L N 5.285 126.673 121.223 0.274 0.000 2.302 532 L HA 0.319 4.659 4.340 0.000 0.000 0.285 532 L C -0.518 176.434 176.870 0.137 0.000 1.090 532 L CA -0.656 54.306 54.840 0.203 0.000 0.866 532 L CB 0.357 42.513 42.059 0.163 0.000 1.244 532 L HN 0.512 nan 8.230 nan 0.000 0.435 533 L N 5.317 126.592 121.223 0.087 0.000 2.404 533 L HA 0.232 4.572 4.340 0.000 0.000 0.277 533 L C 1.158 178.010 176.870 -0.030 0.000 1.184 533 L CA 0.433 55.111 54.840 -0.270 0.000 1.013 533 L CB 0.652 42.568 42.059 -0.238 0.000 1.318 533 L HN 0.646 nan 8.230 nan 0.000 0.435 534 A N 2.848 125.649 122.820 -0.032 0.000 1.969 534 A HA 0.065 4.385 4.320 0.000 0.000 0.218 534 A C 1.131 178.747 177.584 0.053 0.000 1.169 534 A CA 1.144 53.216 52.037 0.057 0.000 0.635 534 A CB -0.136 18.902 19.000 0.064 0.000 0.810 534 A HN 0.672 nan 8.150 nan 0.000 0.445 535 S N -2.196 113.504 115.700 -0.001 0.000 2.626 535 S HA 0.471 4.941 4.470 0.000 0.000 0.275 535 S C -1.495 173.145 174.600 0.066 0.000 1.175 535 S CA -0.502 57.722 58.200 0.041 0.000 0.982 535 S CB 0.766 63.991 63.200 0.041 0.000 1.093 535 S HN 0.398 nan 8.310 nan 0.000 0.472 536 Y N 4.913 125.160 120.300 -0.088 0.000 2.345 536 Y HA 0.549 5.099 4.550 0.000 0.000 0.331 536 Y C -0.048 175.667 175.900 -0.310 0.000 0.959 536 Y CA -0.575 57.432 58.100 -0.155 0.000 1.204 536 Y CB 1.041 39.433 38.460 -0.114 0.000 1.135 536 Y HN 0.737 nan 8.280 nan 0.000 0.477 537 T N 2.272 116.709 114.554 -0.196 0.000 2.912 537 T HA 0.517 4.867 4.350 0.000 0.000 0.288 537 T C -1.072 173.407 174.700 -0.368 0.000 1.030 537 T CA -0.654 61.244 62.100 -0.337 0.000 1.020 537 T CB 1.608 70.458 68.868 -0.029 0.000 1.056 537 T HN 0.529 nan 8.240 nan 0.000 0.480 538 W N 1.147 122.398 121.300 -0.081 0.000 2.761 538 W HA 0.512 5.172 4.660 0.000 0.000 0.340 538 W C 0.551 177.048 176.519 -0.036 0.000 1.072 538 W CA -0.496 56.798 57.345 -0.086 0.000 1.215 538 W CB 0.900 30.271 29.460 -0.147 0.000 1.420 538 W HN 0.907 nan 8.180 nan 0.000 0.519 539 E N 0.286 120.613 120.200 0.212 0.000 3.259 539 E HA -0.302 4.048 4.350 0.000 0.000 0.332 539 E C 0.858 177.527 176.600 0.115 0.000 1.477 539 E CA 1.882 58.370 56.400 0.146 0.000 1.742 539 E CB -1.029 28.754 29.700 0.138 0.000 1.842 539 E HN 0.412 nan 8.360 nan 0.000 0.499 540 D N 1.276 121.733 120.400 0.094 0.000 2.218 540 D HA -0.092 4.548 4.640 0.000 0.000 0.204 540 D C 1.416 177.752 176.300 0.060 0.000 0.976 540 D CA 1.351 55.392 54.000 0.068 0.000 0.853 540 D CB -0.415 40.419 40.800 0.057 0.000 0.939 540 D HN 0.237 nan 8.370 nan 0.000 0.481 541 D N -0.251 120.190 120.400 0.067 0.000 2.149 541 D HA -0.126 4.514 4.640 0.000 0.000 0.198 541 D C 1.977 178.309 176.300 0.053 0.000 0.990 541 D CA 0.857 54.885 54.000 0.047 0.000 0.839 541 D CB -0.280 40.536 40.800 0.027 0.000 0.948 541 D HN 0.078 nan 8.370 nan 0.000 0.460 542 S N -0.491 115.258 115.700 0.081 0.000 2.371 542 S HA -0.118 4.352 4.470 0.000 0.000 0.224 542 S C 1.971 176.602 174.600 0.052 0.000 1.029 542 S CA 1.681 59.949 58.200 0.114 0.000 0.978 542 S CB -0.349 62.951 63.200 0.167 0.000 0.833 542 S HN 0.182 nan 8.310 nan 0.000 0.466 543 T N 2.245 116.826 114.554 0.045 0.000 2.699 543 T HA -0.113 4.237 4.350 0.000 0.000 0.268 543 T C 1.898 176.594 174.700 -0.008 0.000 1.036 543 T CA 1.554 63.661 62.100 0.012 0.000 1.147 543 T CB -0.336 68.549 68.868 0.029 0.000 0.862 543 T HN 0.436 nan 8.240 nan 0.000 0.446 544 R N 0.384 120.892 120.500 0.012 0.000 2.152 544 R HA 0.075 4.415 4.340 0.000 0.000 0.232 544 R C 2.295 178.598 176.300 0.005 0.000 1.117 544 R CA 0.901 57.022 56.100 0.035 0.000 0.981 544 R CB -0.372 29.949 30.300 0.035 0.000 0.870 544 R HN 0.393 nan 8.270 nan 0.000 0.451 545 L N -0.513 120.639 121.223 -0.117 0.000 2.341 545 L HA 0.015 4.356 4.340 0.000 0.000 0.214 545 L C 2.519 178.913 176.870 -0.793 0.000 1.115 545 L CA 0.541 55.191 54.840 -0.318 0.000 0.820 545 L CB -0.273 41.725 42.059 -0.102 0.000 0.944 545 L HN 0.119 nan 8.230 nan 0.000 0.452 546 R N 0.474 120.548 120.500 -0.709 0.000 2.120 546 R HA -0.213 4.127 4.340 0.000 0.000 0.234 546 R C 2.402 178.373 176.300 -0.549 0.000 1.123 546 R CA 1.845 57.347 56.100 -0.997 0.000 0.975 546 R CB -0.263 29.834 30.300 -0.339 0.000 0.866 546 R HN 0.611 nan 8.270 nan 0.000 0.446 547 H N -1.687 117.220 119.070 -0.271 0.000 2.489 547 H HA -0.022 4.534 4.556 0.000 0.000 0.295 547 H C 0.800 176.096 175.328 -0.053 0.000 1.082 547 H CA 1.421 57.411 56.048 -0.098 0.000 1.295 547 H CB -0.065 29.649 29.762 -0.080 0.000 1.380 547 H HN 0.157 nan 8.280 nan 0.000 0.548 548 D N -0.226 119.826 120.400 -0.581 0.000 2.349 548 D HA 0.041 4.681 4.640 0.000 0.000 0.214 548 D C 1.025 177.308 176.300 -0.029 0.000 1.063 548 D CA 0.067 53.889 54.000 -0.297 0.000 0.847 548 D CB -0.160 40.421 40.800 -0.365 0.000 0.933 548 D HN 0.510 nan 8.370 nan 0.000 0.513 549 F N 0.261 120.105 119.950 -0.176 0.000 2.367 549 F HA 0.039 4.566 4.527 0.000 0.000 0.298 549 F C 2.295 177.820 175.800 -0.460 0.000 1.094 549 F CA 0.294 58.081 58.000 -0.355 0.000 1.409 549 F CB 0.321 39.023 39.000 -0.497 0.000 1.064 549 F HN 0.121 nan 8.300 nan 0.000 0.528 550 G N 1.232 109.903 108.800 -0.214 0.000 2.900 550 G HA2 -0.320 3.640 3.960 0.000 0.000 0.223 550 G HA3 -0.320 3.640 3.960 0.000 0.000 0.223 550 G C 0.045 174.805 174.900 -0.234 0.000 1.293 550 G CA 0.247 45.261 45.100 -0.142 0.000 0.792 550 G HN 0.191 nan 8.290 nan 0.000 0.527 551 L N -0.396 120.538 121.223 -0.480 0.000 2.388 551 L HA 0.779 5.119 4.340 0.000 0.000 0.264 551 L C -1.088 175.382 176.870 -0.666 0.000 0.998 551 L CA -1.299 53.326 54.840 -0.357 0.000 0.817 551 L CB 2.199 44.143 42.059 -0.192 0.000 1.338 551 L HN 0.224 nan 8.230 nan 0.000 0.414 552 Y N 0.909 121.151 120.300 -0.096 0.000 2.421 552 Y HA 0.381 4.931 4.550 0.000 0.000 0.339 552 Y C -1.704 174.091 175.900 -0.176 0.000 0.996 552 Y CA -1.352 56.661 58.100 -0.146 0.000 1.046 552 Y CB 1.288 39.698 38.460 -0.082 0.000 1.226 552 Y HN 0.407 nan 8.280 nan 0.000 0.445 553 P HA 0.007 nan 4.420 nan 0.000 0.245 553 P C -0.410 176.417 177.300 -0.789 0.000 1.203 553 P CA 0.536 63.327 63.100 -0.515 0.000 0.792 553 P CB 1.138 32.380 31.700 -0.763 0.000 0.997 554 Q N 0.552 120.072 119.800 -0.468 0.000 2.353 554 Q HA 0.429 4.769 4.340 0.000 0.000 0.268 554 Q C -1.323 174.460 176.000 -0.362 0.000 1.045 554 Q CA -0.685 54.869 55.803 -0.415 0.000 0.811 554 Q CB 1.415 30.101 28.738 -0.086 0.000 1.305 554 Q HN -0.196 nan 8.270 nan 0.000 0.447 555 N N 4.572 122.996 118.700 -0.460 0.000 2.448 555 N HA 0.469 5.209 4.740 0.000 0.000 0.279 555 N C -2.832 172.517 175.510 -0.268 0.000 1.025 555 N CA -1.776 51.090 53.050 -0.307 0.000 0.898 555 N CB 2.091 40.397 38.487 -0.303 0.000 1.303 555 N HN 0.348 nan 8.380 nan 0.000 0.495 556 P HA 0.184 nan 4.420 nan 0.000 0.276 556 P C -0.220 177.050 177.300 -0.050 0.000 1.244 556 P CA -0.253 62.813 63.100 -0.056 0.000 0.801 556 P CB 1.245 32.946 31.700 0.002 0.000 1.006 557 A N 1.555 124.349 122.820 -0.044 0.000 2.178 557 A HA 0.122 4.442 4.320 0.000 0.000 0.211 557 A C 1.096 178.684 177.584 0.007 0.000 1.157 557 A CA 1.034 53.058 52.037 -0.022 0.000 0.780 557 A CB -0.903 18.080 19.000 -0.027 0.000 0.828 557 A HN 0.684 nan 8.150 nan 0.000 0.476 558 T N -4.141 110.418 114.554 0.008 0.000 2.950 558 T HA 0.492 4.842 4.350 0.000 0.000 0.288 558 T C 0.380 175.092 174.700 0.021 0.000 1.035 558 T CA -0.400 61.707 62.100 0.012 0.000 1.028 558 T CB 1.512 70.381 68.868 0.002 0.000 1.109 558 T HN 0.220 nan 8.240 nan 0.000 0.514 559 E N 0.128 120.337 120.200 0.016 0.000 2.285 559 E HA -0.034 4.316 4.350 0.000 0.000 0.194 559 E C 1.645 178.226 176.600 -0.031 0.000 0.997 559 E CA 1.268 57.673 56.400 0.008 0.000 0.845 559 E CB 0.021 29.732 29.700 0.019 0.000 0.782 559 E HN 0.893 nan 8.360 nan 0.000 0.491 560 T N -2.364 112.175 114.554 -0.025 0.000 3.040 560 T HA 0.202 4.552 4.350 0.000 0.000 0.250 560 T C 0.921 175.601 174.700 -0.034 0.000 1.058 560 T CA -0.032 62.043 62.100 -0.041 0.000 0.988 560 T CB 0.626 69.478 68.868 -0.027 0.000 0.993 560 T HN 0.038 nan 8.240 nan 0.000 0.519 561 G N 0.359 109.148 108.800 -0.019 0.000 2.563 561 G HA2 0.507 4.467 3.960 0.000 0.000 0.283 561 G HA3 0.507 4.467 3.960 0.000 0.000 0.283 561 G C -0.999 173.895 174.900 -0.011 0.000 1.309 561 G CA -0.404 44.686 45.100 -0.016 0.000 1.022 561 G HN 0.331 nan 8.290 nan 0.000 0.501 562 T N -1.784 112.764 114.554 -0.010 0.000 3.032 562 T HA 0.497 4.847 4.350 0.000 0.000 0.312 562 T C 0.005 174.702 174.700 -0.006 0.000 1.078 562 T CA 0.221 62.318 62.100 -0.004 0.000 1.028 562 T CB 1.192 70.046 68.868 -0.024 0.000 1.091 562 T HN 1.013 nan 8.240 nan 0.000 0.457 563 A N 3.646 126.468 122.820 0.003 0.000 3.033 563 A HA 0.271 4.591 4.320 0.000 0.000 0.250 563 A C 1.270 178.875 177.584 0.034 0.000 1.633 563 A CA 0.031 52.065 52.037 -0.005 0.000 1.290 563 A CB -0.867 18.112 19.000 -0.035 0.000 1.048 563 A HN 0.933 nan 8.150 nan 0.000 0.648 564 D N 1.131 121.545 120.400 0.024 0.000 2.097 564 D HA -0.099 4.541 4.640 0.000 0.000 0.195 564 D C 2.034 178.378 176.300 0.074 0.000 0.989 564 D CA 2.086 56.115 54.000 0.049 0.000 0.827 564 D CB -0.118 40.692 40.800 0.016 0.000 0.966 564 D HN 0.374 nan 8.370 nan 0.000 0.456 565 G N 0.629 109.452 108.800 0.038 0.000 2.446 565 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 565 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 565 G C 1.561 176.484 174.900 0.038 0.000 1.168 565 G CA 1.094 46.212 45.100 0.031 0.000 0.771 565 G HN 0.256 nan 8.290 nan 0.000 0.551 566 M N -0.354 119.269 119.600 0.038 0.000 2.080 566 M HA -0.104 4.376 4.480 0.000 0.000 0.260 566 M C 2.381 178.722 176.300 0.069 0.000 1.068 566 M CA 1.606 56.932 55.300 0.044 0.000 1.109 566 M CB -0.829 31.784 32.600 0.023 0.000 1.342 566 M HN 0.324 nan 8.290 nan 0.000 0.405 567 Y N 1.101 121.386 120.300 -0.025 0.000 2.224 567 Y HA -0.170 4.380 4.550 0.000 0.000 0.289 567 Y C 2.309 178.190 175.900 -0.032 0.000 1.146 567 Y CA 1.991 60.074 58.100 -0.029 0.000 1.182 567 Y CB -0.301 38.141 38.460 -0.031 0.000 0.983 567 Y HN 0.290 nan 8.280 nan 0.000 0.524 568 R N -0.750 119.778 120.500 0.048 0.000 2.152 568 R HA -0.143 4.197 4.340 0.000 0.000 0.232 568 R C 2.355 178.617 176.300 -0.063 0.000 1.117 568 R CA 1.738 57.822 56.100 -0.026 0.000 0.981 568 R CB -0.639 29.673 30.300 0.019 0.000 0.870 568 R HN 0.518 nan 8.270 nan 0.000 0.451 569 T N -1.401 113.125 114.554 -0.047 0.000 2.915 569 T HA -0.077 4.273 4.350 0.000 0.000 0.269 569 T C 1.852 176.511 174.700 -0.069 0.000 1.071 569 T CA 0.838 62.914 62.100 -0.039 0.000 1.132 569 T CB 0.045 68.893 68.868 -0.033 0.000 0.878 569 T HN -0.028 nan 8.240 nan 0.000 0.479 570 M N 0.968 120.478 119.600 -0.151 0.000 2.160 570 M HA 0.127 4.607 4.480 0.000 0.000 0.264 570 M C 2.564 178.734 176.300 -0.218 0.000 1.073 570 M CA 0.804 55.988 55.300 -0.194 0.000 1.142 570 M CB -1.409 31.017 32.600 -0.291 0.000 1.358 570 M HN 0.187 nan 8.290 nan 0.000 0.422 571 V N 1.455 121.161 119.914 -0.347 0.000 2.324 571 V HA -0.290 3.830 4.120 0.000 0.000 0.250 571 V C 2.225 178.359 176.094 0.067 0.000 1.060 571 V CA 2.223 64.380 62.300 -0.238 0.000 1.042 571 V CB -1.224 30.417 31.823 -0.302 0.000 0.650 571 V HN 0.476 nan 8.190 nan 0.000 0.450 572 N N 0.076 118.814 118.700 0.064 0.000 2.223 572 N HA -0.154 4.586 4.740 0.000 0.000 0.185 572 N C 1.913 177.514 175.510 0.153 0.000 1.016 572 N CA 1.242 54.376 53.050 0.140 0.000 0.863 572 N CB -0.192 38.332 38.487 0.063 0.000 0.983 572 N HN 0.406 nan 8.380 nan 0.000 0.429 573 R N -0.584 119.974 120.500 0.096 0.000 2.148 573 R HA 0.056 4.396 4.340 0.000 0.000 0.227 573 R C 1.642 178.049 176.300 0.179 0.000 1.103 573 R CA 1.099 57.261 56.100 0.103 0.000 0.983 573 R CB -0.132 30.207 30.300 0.065 0.000 0.874 573 R HN 0.202 nan 8.270 nan 0.000 0.451 574 A N -0.107 122.864 122.820 0.252 0.000 2.238 574 A HA -0.080 4.240 4.320 0.000 0.000 0.208 574 A C 0.359 178.189 177.584 0.411 0.000 1.177 574 A CA 0.012 52.312 52.037 0.439 0.000 0.804 574 A CB -0.147 19.007 19.000 0.256 0.000 0.823 574 A HN 0.322 nan 8.150 nan 0.000 0.482 575 Y N 2.017 122.379 120.300 0.103 0.000 2.570 575 Y HA 0.417 4.967 4.550 0.000 0.000 0.336 575 Y C 0.128 175.951 175.900 -0.129 0.000 1.284 575 Y CA -0.532 57.434 58.100 -0.225 0.000 1.761 575 Y CB -0.577 37.667 38.460 -0.359 0.000 1.724 575 Y HN 0.198 nan 8.280 nan 0.000 0.455 576 R N 3.040 123.329 120.500 -0.353 0.000 2.686 576 R HA 0.297 4.637 4.340 0.000 0.000 0.283 576 R C -1.689 174.377 176.300 -0.390 0.000 0.978 576 R CA -1.059 54.859 56.100 -0.303 0.000 0.897 576 R CB 1.678 31.829 30.300 -0.248 0.000 1.192 576 R HN 0.337 nan 8.270 nan 0.000 0.457 577 Y N 1.351 121.460 120.300 -0.318 0.000 2.436 577 Y HA 0.196 4.746 4.550 0.000 0.000 0.343 577 Y C 0.118 175.872 175.900 -0.245 0.000 1.008 577 Y CA -0.121 57.837 58.100 -0.237 0.000 1.241 577 Y CB 1.176 39.515 38.460 -0.201 0.000 1.153 577 Y HN 0.189 nan 8.280 nan 0.000 0.521 578 V N 5.010 124.822 119.914 -0.170 0.000 2.384 578 V HA 0.277 4.397 4.120 0.000 0.000 0.287 578 V C -0.277 175.640 176.094 -0.296 0.000 1.020 578 V CA -1.282 60.814 62.300 -0.339 0.000 0.850 578 V CB 1.439 32.928 31.823 -0.556 0.000 0.987 578 V HN 0.458 nan 8.190 nan 0.000 0.436 579 K N 4.567 124.792 120.400 -0.292 0.000 2.276 579 K HA 0.431 4.751 4.320 0.000 0.000 0.285 579 K C -1.331 175.089 176.600 -0.300 0.000 1.062 579 K CA 0.042 56.226 56.287 -0.171 0.000 0.918 579 K CB 0.271 32.717 32.500 -0.090 0.000 1.055 579 K HN 0.489 nan 8.250 nan 0.000 0.477 580 Y N 1.879 122.214 120.300 0.058 0.000 2.457 580 Y HA 0.387 4.937 4.550 0.000 0.000 0.333 580 Y C 1.245 177.178 175.900 0.056 0.000 1.119 580 Y CA -0.481 57.658 58.100 0.067 0.000 1.143 580 Y CB 1.899 40.418 38.460 0.098 0.000 1.230 580 Y HN 0.714 nan 8.280 nan 0.000 0.469 581 A N 1.392 124.347 122.820 0.226 0.000 2.024 581 A HA -0.084 4.236 4.320 0.000 0.000 0.220 581 A C 2.080 179.744 177.584 0.133 0.000 1.164 581 A CA 1.895 54.018 52.037 0.143 0.000 0.643 581 A CB -1.119 17.953 19.000 0.120 0.000 0.806 581 A HN 1.014 nan 8.150 nan 0.000 0.451 582 G N -1.845 107.047 108.800 0.154 0.000 2.985 582 G HA2 0.452 4.412 3.960 0.000 0.000 0.209 582 G HA3 0.452 4.412 3.960 0.000 0.000 0.209 582 G C 0.264 175.225 174.900 0.102 0.000 1.165 582 G CA 0.821 45.984 45.100 0.104 0.000 0.776 582 G HN 1.016 nan 8.290 nan 0.000 0.541 583 A N -0.309 122.592 122.820 0.134 0.000 2.520 583 A HA 0.613 4.933 4.320 0.000 0.000 0.298 583 A C 0.972 178.624 177.584 0.113 0.000 1.051 583 A CA 0.384 52.491 52.037 0.117 0.000 0.690 583 A CB 0.905 19.987 19.000 0.137 0.000 1.281 583 A HN 0.444 nan 8.150 nan 0.000 0.402 584 S N 1.417 117.168 115.700 0.086 0.000 2.371 584 S HA -0.048 4.422 4.470 0.000 0.000 0.224 584 S C 0.433 175.077 174.600 0.074 0.000 1.029 584 S CA 0.933 59.175 58.200 0.070 0.000 0.978 584 S CB -0.381 62.852 63.200 0.055 0.000 0.833 584 S HN 0.664 nan 8.310 nan 0.000 0.466 585 N N 3.004 121.756 118.700 0.087 0.000 2.462 585 N HA 0.591 5.331 4.740 0.000 0.000 0.242 585 N C -0.486 175.105 175.510 0.135 0.000 1.010 585 N CA 0.036 53.142 53.050 0.093 0.000 0.939 585 N CB 1.152 39.693 38.487 0.090 0.000 1.127 585 N HN 0.509 nan 8.380 nan 0.000 0.509 586 A N 2.287 125.191 122.820 0.141 0.000 2.483 586 A HA 0.225 4.545 4.320 0.000 0.000 0.238 586 A C 0.346 178.111 177.584 0.301 0.000 1.070 586 A CA 0.068 52.225 52.037 0.200 0.000 0.770 586 A CB 0.478 19.581 19.000 0.171 0.000 1.008 586 A HN 0.538 nan 8.150 nan 0.000 0.497 587 Q N 0.326 120.241 119.800 0.191 0.000 2.528 587 Q HA 0.445 4.785 4.340 0.000 0.000 0.289 587 Q C -2.739 173.032 176.000 -0.382 0.000 1.091 587 Q CA -1.993 53.809 55.803 -0.002 0.000 0.797 587 Q CB 1.348 30.139 28.738 0.087 0.000 1.466 587 Q HN 0.431 nan 8.270 nan 0.000 0.436 588 P HA -0.085 nan 4.420 nan 0.000 0.265 588 P C -0.527 176.715 177.300 -0.096 0.000 1.187 588 P CA -0.061 62.611 63.100 -0.712 0.000 0.766 588 P CB 0.309 31.609 31.700 -0.667 0.000 0.820 589 W N 5.968 127.131 121.300 -0.228 0.000 2.409 589 W HA -0.081 4.579 4.660 0.000 0.000 0.338 589 W C 1.348 177.930 176.519 0.105 0.000 1.273 589 W CA -0.717 56.623 57.345 -0.007 0.000 1.299 589 W CB -0.231 29.174 29.460 -0.091 0.000 1.192 589 W HN 0.602 nan 8.180 nan 0.000 0.565 590 W N 5.640 127.141 121.300 0.335 0.000 2.350 590 W HA -0.281 4.379 4.660 0.000 0.000 0.289 590 W C 1.439 177.985 176.519 0.045 0.000 1.215 590 W CA 1.156 58.613 57.345 0.186 0.000 1.236 590 W CB -1.717 27.878 29.460 0.225 0.000 1.130 590 W HN 0.437 nan 8.180 nan 0.000 0.541 591 F N 1.544 120.518 119.950 -1.627 0.000 2.293 591 F HA -0.141 4.386 4.527 0.000 0.000 0.300 591 F C 2.631 177.980 175.800 -0.753 0.000 1.086 591 F CA 1.176 58.145 58.000 -1.719 0.000 1.375 591 F CB -1.177 36.181 39.000 -2.738 0.000 1.045 591 F HN -0.078 nan 8.300 nan 0.000 0.516 592 Y N 1.077 121.054 120.300 -0.539 0.000 2.081 592 Y HA -0.365 4.185 4.550 0.000 0.000 0.280 592 Y C 2.697 178.423 175.900 -0.290 0.000 1.163 592 Y CA 2.605 60.530 58.100 -0.291 0.000 1.135 592 Y CB -0.948 37.492 38.460 -0.034 0.000 0.970 592 Y HN 0.270 nan 8.280 nan 0.000 0.498 593 Q N -0.519 119.130 119.800 -0.251 0.000 2.084 593 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 593 Q C 2.233 178.010 176.000 -0.372 0.000 0.978 593 Q CA 1.823 57.348 55.803 -0.463 0.000 0.844 593 Q CB -0.350 27.988 28.738 -0.666 0.000 0.898 593 Q HN 0.566 nan 8.270 nan 0.000 0.426 594 L N 0.404 121.592 121.223 -0.058 0.000 2.017 594 L HA -0.146 4.194 4.340 0.000 0.000 0.208 594 L C 2.011 178.779 176.870 -0.171 0.000 1.073 594 L CA 1.569 56.502 54.840 0.155 0.000 0.745 594 L CB -0.476 41.749 42.059 0.276 0.000 0.894 594 L HN 0.304 nan 8.230 nan 0.000 0.432 595 L N -0.570 120.339 121.223 -0.523 0.000 2.042 595 L HA -0.188 4.152 4.340 0.000 0.000 0.210 595 L C 2.520 179.297 176.870 -0.155 0.000 1.076 595 L CA 1.240 55.839 54.840 -0.401 0.000 0.749 595 L CB -0.876 40.801 42.059 -0.637 0.000 0.893 595 L HN 0.372 nan 8.230 nan 0.000 0.432 596 A N -0.713 121.921 122.820 -0.311 0.000 2.168 596 A HA -0.172 4.148 4.320 0.000 0.000 0.215 596 A C 2.078 179.596 177.584 -0.110 0.000 1.152 596 A CA 1.178 53.072 52.037 -0.239 0.000 0.716 596 A CB -0.301 18.410 19.000 -0.482 0.000 0.794 596 A HN 0.339 nan 8.150 nan 0.000 0.465 597 E N 0.250 120.417 120.200 -0.054 0.000 2.427 597 E HA 0.250 4.600 4.350 0.000 0.000 0.196 597 E C 0.876 177.513 176.600 0.061 0.000 1.028 597 E CA 0.518 56.950 56.400 0.053 0.000 0.864 597 E CB -0.318 29.511 29.700 0.216 0.000 0.813 597 E HN 0.533 nan 8.360 nan 0.000 0.514 598 A N 1.417 124.262 122.820 0.041 0.000 2.483 598 A HA 0.155 4.475 4.320 0.000 0.000 0.238 598 A C 0.277 177.843 177.584 -0.031 0.000 1.070 598 A CA 0.003 52.043 52.037 0.005 0.000 0.770 598 A CB 0.011 18.962 19.000 -0.081 0.000 1.008 598 A HN 0.411 nan 8.150 nan 0.000 0.497 599 R N 1.326 121.814 120.500 -0.019 0.000 2.774 599 R HA 0.241 4.581 4.340 0.000 0.000 0.269 599 R C 0.533 176.781 176.300 -0.086 0.000 1.068 599 R CA 0.306 56.389 56.100 -0.030 0.000 1.180 599 R CB -0.205 30.094 30.300 -0.002 0.000 1.077 599 R HN 0.532 nan 8.270 nan 0.000 0.513 600 T N 0.928 115.445 114.554 -0.062 0.000 2.737 600 T HA -0.053 4.297 4.350 0.000 0.000 0.265 600 T C 0.979 175.631 174.700 -0.080 0.000 1.038 600 T CA 1.434 63.493 62.100 -0.068 0.000 1.144 600 T CB -0.221 68.625 68.868 -0.038 0.000 0.866 600 T HN 0.755 nan 8.240 nan 0.000 0.434 601 A N 1.485 124.263 122.820 -0.070 0.000 2.425 601 A HA 0.355 4.675 4.320 0.000 0.000 0.242 601 A C 0.562 178.098 177.584 -0.080 0.000 1.077 601 A CA -0.198 51.795 52.037 -0.074 0.000 0.781 601 A CB -0.130 18.819 19.000 -0.084 0.000 1.020 601 A HN 0.565 nan 8.150 nan 0.000 0.494 602 D N -0.752 119.615 120.400 -0.055 0.000 3.068 602 D HA -0.133 4.507 4.640 0.000 0.000 0.218 602 D C -0.066 176.283 176.300 0.082 0.000 1.145 602 D CA 1.257 55.255 54.000 -0.002 0.000 0.896 602 D CB -1.264 39.494 40.800 -0.070 0.000 1.105 602 D HN 0.750 nan 8.370 nan 0.000 0.423 603 R N -0.185 120.307 120.500 -0.014 0.000 2.543 603 R HA 0.579 4.919 4.340 0.000 0.000 0.277 603 R C 0.110 176.497 176.300 0.144 0.000 1.074 603 R CA 0.097 56.157 56.100 -0.067 0.000 1.076 603 R CB 0.628 30.795 30.300 -0.221 0.000 0.993 603 R HN 0.152 nan 8.270 nan 0.000 0.459 604 F N 2.005 121.944 119.950 -0.019 0.000 2.641 604 F HA 0.500 5.027 4.527 0.000 0.000 0.308 604 F C -1.683 174.105 175.800 -0.020 0.000 1.105 604 F CA -0.892 57.118 58.000 0.016 0.000 0.964 604 F CB 1.591 40.661 39.000 0.116 0.000 1.294 604 F HN 0.251 nan 8.300 nan 0.000 0.442 605 V N 6.143 125.690 119.914 -0.612 0.000 2.841 605 V HA 0.660 4.781 4.120 0.000 0.000 0.310 605 V C -2.204 173.297 176.094 -0.989 0.000 1.090 605 V CA -0.671 61.241 62.300 -0.646 0.000 0.930 605 V CB 2.113 33.480 31.823 -0.760 0.000 1.014 605 V HN 0.709 nan 8.190 nan 0.000 0.425 606 F N 4.434 123.958 119.950 -0.710 0.000 2.529 606 F HA 0.660 5.187 4.527 0.000 0.000 0.320 606 F C -0.629 174.880 175.800 -0.486 0.000 1.118 606 F CA -0.509 57.126 58.000 -0.608 0.000 0.915 606 F CB 1.811 40.565 39.000 -0.411 0.000 1.161 606 F HN 0.607 nan 8.300 nan 0.000 0.445 607 D N 4.709 124.523 120.400 -0.977 0.000 2.441 607 D HA 0.155 4.795 4.640 0.000 0.000 0.231 607 D C 0.192 176.211 176.300 -0.469 0.000 1.073 607 D CA -0.298 53.442 54.000 -0.434 0.000 0.850 607 D CB 0.520 41.262 40.800 -0.097 0.000 1.062 607 D HN 0.572 nan 8.370 nan 0.000 0.524 608 W N 2.003 123.339 121.300 0.060 0.000 2.421 608 W HA -0.113 4.547 4.660 0.000 0.000 0.270 608 W C 2.146 178.698 176.519 0.055 0.000 1.233 608 W CA 0.750 58.192 57.345 0.161 0.000 1.226 608 W CB -0.118 29.480 29.460 0.229 0.000 1.121 608 W HN 0.381 nan 8.180 nan 0.000 0.579 609 T N -1.202 113.476 114.554 0.207 0.000 2.821 609 T HA -0.183 4.167 4.350 0.000 0.000 0.267 609 T C 1.665 176.403 174.700 0.065 0.000 1.046 609 T CA 1.933 64.109 62.100 0.126 0.000 1.139 609 T CB -0.681 68.258 68.868 0.119 0.000 0.871 609 T HN 0.250 nan 8.240 nan 0.000 0.454 610 T N -0.813 113.753 114.554 0.020 0.000 3.086 610 T HA 0.202 4.552 4.350 0.000 0.000 0.250 610 T C 0.603 175.277 174.700 -0.042 0.000 1.074 610 T CA -0.476 61.617 62.100 -0.011 0.000 0.988 610 T CB -0.317 68.566 68.868 0.025 0.000 0.988 610 T HN 0.197 nan 8.240 nan 0.000 0.530 611 N N 1.342 120.017 118.700 -0.042 0.000 2.354 611 N HA 0.161 4.901 4.740 0.000 0.000 0.246 611 N C 0.994 176.570 175.510 0.109 0.000 1.285 611 N CA -0.195 52.891 53.050 0.060 0.000 0.925 611 N CB 0.646 39.272 38.487 0.231 0.000 1.174 611 N HN 0.059 nan 8.380 nan 0.000 0.478 612 K N -0.743 119.734 120.400 0.129 0.000 2.442 612 K HA -0.075 4.245 4.320 0.000 0.000 0.198 612 K C 1.318 177.975 176.600 0.095 0.000 1.042 612 K CA 1.248 57.593 56.287 0.096 0.000 0.958 612 K CB -0.177 32.379 32.500 0.093 0.000 0.766 612 K HN 0.751 nan 8.250 nan 0.000 0.474 613 T N -1.454 113.189 114.554 0.148 0.000 2.962 613 T HA -0.013 4.337 4.350 0.000 0.000 0.270 613 T C 1.149 175.860 174.700 0.019 0.000 1.088 613 T CA 0.593 62.749 62.100 0.094 0.000 1.127 613 T CB -0.305 68.668 68.868 0.175 0.000 0.883 613 T HN 0.206 nan 8.240 nan 0.000 0.493 614 A N 0.202 123.054 122.820 0.052 0.000 2.846 614 A HA 0.313 4.633 4.320 0.000 0.000 0.287 614 A C 1.068 178.648 177.584 -0.008 0.000 1.469 614 A CA 0.791 52.835 52.037 0.012 0.000 0.757 614 A CB -1.872 17.114 19.000 -0.023 0.000 1.033 614 A HN 2.245 nan 8.150 nan 0.000 0.516 615 G N -3.190 105.652 108.800 0.070 0.000 2.347 615 G HA2 0.493 4.453 3.960 0.000 0.000 0.341 615 G HA3 0.493 4.453 3.960 0.000 0.000 0.341 615 G C 0.872 175.815 174.900 0.071 0.000 1.287 615 G CA 0.743 45.874 45.100 0.052 0.000 0.984 615 G HN 1.775 nan 8.290 nan 0.000 0.526 616 G N -1.104 107.635 108.800 -0.103 0.000 2.441 616 G HA2 0.628 4.588 3.960 0.000 0.000 0.212 616 G HA3 0.628 4.588 3.960 0.000 0.000 0.212 616 G C 0.394 175.191 174.900 -0.173 0.000 1.164 616 G CA 1.634 46.590 45.100 -0.240 0.000 0.811 616 G HN 1.839 nan 8.290 nan 0.000 0.535 617 F N -2.535 117.324 119.950 -0.150 0.000 2.793 617 F HA 0.505 5.032 4.527 0.000 0.000 0.316 617 F C -0.751 174.981 175.800 -0.114 0.000 1.147 617 F CA -1.978 55.919 58.000 -0.172 0.000 0.930 617 F CB 0.880 39.732 39.000 -0.247 0.000 1.277 617 F HN -0.057 nan 8.300 nan 0.000 0.443 618 K N 2.182 122.693 120.400 0.185 0.000 2.368 618 K HA 0.610 4.930 4.320 0.000 0.000 0.282 618 K C -1.576 175.138 176.600 0.190 0.000 1.035 618 K CA -0.214 56.167 56.287 0.157 0.000 0.973 618 K CB 0.482 33.047 32.500 0.109 0.000 0.957 618 K HN 0.773 nan 8.250 nan 0.000 0.474 619 L N 3.871 125.207 121.223 0.189 0.000 2.409 619 L HA 0.282 4.622 4.340 0.000 0.000 0.272 619 L C -0.992 175.993 176.870 0.192 0.000 0.980 619 L CA -1.149 53.801 54.840 0.183 0.000 0.826 619 L CB 2.054 44.195 42.059 0.138 0.000 1.268 619 L HN 0.652 nan 8.230 nan 0.000 0.407 620 D N 3.747 124.224 120.400 0.128 0.000 2.312 620 D HA 0.342 4.982 4.640 0.000 0.000 0.252 620 D C 0.279 176.611 176.300 0.054 0.000 1.150 620 D CA -0.156 53.908 54.000 0.107 0.000 0.870 620 D CB 1.173 42.053 40.800 0.132 0.000 1.153 620 D HN 0.181 nan 8.370 nan 0.000 0.457 621 M N 0.592 120.198 119.600 0.010 0.000 2.114 621 M HA 0.122 4.602 4.480 0.000 0.000 0.293 621 M C 1.018 177.332 176.300 0.024 0.000 1.201 621 M CA -0.372 54.909 55.300 -0.031 0.000 1.107 621 M CB -0.225 32.324 32.600 -0.084 0.000 1.405 621 M HN 0.340 nan 8.290 nan 0.000 0.486 622 T N -1.344 113.219 114.554 0.015 0.000 2.934 622 T HA 0.339 4.689 4.350 0.000 0.000 0.306 622 T C 1.193 175.933 174.700 0.067 0.000 1.042 622 T CA 0.323 62.444 62.100 0.036 0.000 1.145 622 T CB 0.234 69.112 68.868 0.017 0.000 0.982 622 T HN 0.990 nan 8.240 nan 0.000 0.544 623 G N 2.803 111.674 108.800 0.118 0.000 2.267 623 G HA2 -0.295 3.665 3.960 0.000 0.000 0.257 623 G HA3 -0.295 3.665 3.960 0.000 0.000 0.257 623 G C 0.681 175.735 174.900 0.256 0.000 0.998 623 G CA 0.402 45.627 45.100 0.209 0.000 0.620 623 G HN 0.715 nan 8.290 nan 0.000 0.529 624 D N -0.228 120.270 120.400 0.164 0.000 2.264 624 D HA 0.045 4.685 4.640 0.000 0.000 0.208 624 D C 1.692 178.080 176.300 0.148 0.000 0.966 624 D CA 1.227 55.310 54.000 0.139 0.000 0.864 624 D CB -0.371 40.489 40.800 0.099 0.000 0.933 624 D HN 0.672 nan 8.370 nan 0.000 0.499 625 H N 0.669 119.771 119.070 0.053 0.000 2.357 625 H HA -0.185 4.371 4.556 0.000 0.000 0.296 625 H C 1.763 177.069 175.328 -0.038 0.000 1.108 625 H CA 1.936 57.977 56.048 -0.010 0.000 1.273 625 H CB -0.038 29.613 29.762 -0.185 0.000 1.367 625 H HN 0.312 nan 8.280 nan 0.000 0.498 626 H N -0.726 118.404 119.070 0.099 0.000 2.456 626 H HA -0.087 4.469 4.556 0.000 0.000 0.296 626 H C 1.974 177.312 175.328 0.016 0.000 1.079 626 H CA 1.474 57.552 56.048 0.051 0.000 1.322 626 H CB 0.217 30.028 29.762 0.082 0.000 1.388 626 H HN 0.508 nan 8.280 nan 0.000 0.538 627 Q N 0.194 120.063 119.800 0.114 0.000 2.134 627 Q HA -0.053 4.287 4.340 0.000 0.000 0.195 627 Q C 2.682 178.708 176.000 0.043 0.000 0.958 627 Q CA 1.361 57.208 55.803 0.073 0.000 0.840 627 Q CB -0.052 28.723 28.738 0.061 0.000 0.918 627 Q HN 0.421 nan 8.270 nan 0.000 0.467 628 S N 0.499 116.210 115.700 0.018 0.000 2.382 628 S HA -0.161 4.309 4.470 0.000 0.000 0.228 628 S C 1.767 176.356 174.600 -0.017 0.000 1.027 628 S CA 1.347 59.544 58.200 -0.005 0.000 0.991 628 S CB -0.481 62.706 63.200 -0.022 0.000 0.823 628 S HN 0.398 nan 8.310 nan 0.000 0.469 629 N N 0.906 119.579 118.700 -0.045 0.000 2.270 629 N HA -0.069 4.671 4.740 0.000 0.000 0.181 629 N C 1.820 177.438 175.510 0.179 0.000 1.016 629 N CA 1.086 54.187 53.050 0.084 0.000 0.870 629 N CB -0.247 38.054 38.487 -0.310 0.000 0.979 629 N HN 0.399 nan 8.380 nan 0.000 0.431 630 L N 1.520 122.813 121.223 0.116 0.000 2.012 630 L HA -0.162 4.178 4.340 0.000 0.000 0.210 630 L C 2.470 179.464 176.870 0.208 0.000 1.073 630 L CA 1.639 56.572 54.840 0.154 0.000 0.748 630 L CB -0.969 41.162 42.059 0.121 0.000 0.891 630 L HN 0.221 nan 8.230 nan 0.000 0.431 631 C N -0.950 118.461 119.300 0.186 0.000 2.429 631 C HA -0.171 4.289 4.460 0.000 0.000 0.277 631 C C 2.569 177.763 174.990 0.340 0.000 1.262 631 C CA 0.758 59.904 59.018 0.214 0.000 1.733 631 C CB -1.434 26.449 27.740 0.238 0.000 2.010 631 C HN 0.687 nan 8.230 nan 0.000 0.483 632 F N 1.944 121.983 119.950 0.149 0.000 2.202 632 F HA -0.115 4.412 4.527 0.000 0.000 0.301 632 F C 2.395 178.408 175.800 0.356 0.000 1.082 632 F CA 1.530 59.640 58.000 0.183 0.000 1.313 632 F CB -0.326 38.691 39.000 0.029 0.000 1.024 632 F HN 0.153 nan 8.300 nan 0.000 0.495 633 R N -1.694 118.964 120.500 0.263 0.000 2.317 633 R HA -0.060 4.281 4.340 0.000 0.000 0.208 633 R C 1.786 178.090 176.300 0.007 0.000 0.914 633 R CA 0.382 56.522 56.100 0.066 0.000 1.060 633 R CB -0.577 29.788 30.300 0.107 0.000 1.015 633 R HN 0.410 nan 8.270 nan 0.000 0.498 634 Y N 2.453 122.820 120.300 0.112 0.000 2.193 634 Y HA -0.308 4.242 4.550 0.000 0.000 0.285 634 Y C 2.483 178.473 175.900 0.149 0.000 1.166 634 Y CA 2.057 60.236 58.100 0.131 0.000 1.181 634 Y CB -0.218 38.323 38.460 0.136 0.000 0.976 634 Y HN 0.231 nan 8.280 nan 0.000 0.520 635 H N -1.350 117.718 119.070 -0.004 0.000 2.518 635 H HA -0.072 4.484 4.556 0.000 0.000 0.289 635 H C 1.759 176.951 175.328 -0.227 0.000 1.051 635 H CA 1.440 57.449 56.048 -0.066 0.000 1.280 635 H CB -1.654 28.177 29.762 0.115 0.000 1.380 635 H HN 0.478 nan 8.280 nan 0.000 0.566 636 T N -0.278 113.886 114.554 -0.650 0.000 3.098 636 T HA -0.183 4.167 4.350 0.000 0.000 0.266 636 T C 1.660 176.215 174.700 -0.241 0.000 1.145 636 T CA 0.909 62.757 62.100 -0.419 0.000 1.092 636 T CB -0.932 67.724 68.868 -0.354 0.000 0.908 636 T HN 0.753 nan 8.240 nan 0.000 0.526 637 H N 1.329 120.247 119.070 -0.252 0.000 2.460 637 H HA 0.211 4.767 4.556 0.000 0.000 0.297 637 H C 2.123 177.395 175.328 -0.094 0.000 1.103 637 H CA 0.968 56.892 56.048 -0.206 0.000 1.292 637 H CB -0.927 28.618 29.762 -0.362 0.000 1.376 637 H HN 0.463 nan 8.280 nan 0.000 0.531 638 A N 1.311 123.967 122.820 -0.273 0.000 2.070 638 A HA -0.045 4.275 4.320 0.000 0.000 0.220 638 A C 2.321 179.895 177.584 -0.016 0.000 1.159 638 A CA 1.295 53.294 52.037 -0.063 0.000 0.656 638 A CB -0.857 18.093 19.000 -0.083 0.000 0.800 638 A HN 0.514 nan 8.150 nan 0.000 0.453 639 L N -0.917 120.279 121.223 -0.044 0.000 2.275 639 L HA -0.046 4.294 4.340 0.000 0.000 0.215 639 L C 1.542 178.412 176.870 -0.001 0.000 1.119 639 L CA 0.487 55.310 54.840 -0.028 0.000 0.790 639 L CB -0.390 41.644 42.059 -0.043 0.000 0.919 639 L HN 0.387 nan 8.230 nan 0.000 0.443 640 A N -0.112 122.719 122.820 0.018 0.000 2.391 640 A HA 0.555 4.875 4.320 0.000 0.000 0.316 640 A C 1.199 178.804 177.584 0.034 0.000 1.381 640 A CA 0.202 52.252 52.037 0.022 0.000 0.998 640 A CB 0.597 19.610 19.000 0.022 0.000 1.147 640 A HN 0.251 nan 8.150 nan 0.000 0.545 641 A N 1.900 124.735 122.820 0.025 0.000 2.015 641 A HA 0.015 4.335 4.320 0.000 0.000 0.219 641 A C 2.011 179.609 177.584 0.024 0.000 1.163 641 A CA 1.868 53.924 52.037 0.032 0.000 0.646 641 A CB -0.190 18.824 19.000 0.023 0.000 0.806 641 A HN 0.675 nan 8.150 nan 0.000 0.448 642 S N -1.118 114.588 115.700 0.009 0.000 2.603 642 S HA 0.174 4.644 4.470 0.000 0.000 0.220 642 S C 0.226 174.811 174.600 -0.025 0.000 0.967 642 S CA -0.092 58.105 58.200 -0.006 0.000 0.920 642 S CB -0.248 62.946 63.200 -0.009 0.000 0.773 642 S HN 0.409 nan 8.310 nan 0.000 0.529 643 L N 2.493 123.704 121.223 -0.019 0.000 2.265 643 L HA 0.463 4.803 4.340 0.000 0.000 0.289 643 L C -0.670 176.164 176.870 -0.059 0.000 1.033 643 L CA -0.261 54.546 54.840 -0.054 0.000 0.814 643 L CB 1.109 43.149 42.059 -0.033 0.000 1.203 643 L HN -0.221 nan 8.230 nan 0.000 0.423 644 D N 3.217 123.534 120.400 -0.139 0.000 2.896 644 D HA 0.100 4.740 4.640 0.000 0.000 0.240 644 D C -0.557 175.640 176.300 -0.171 0.000 1.193 644 D CA 0.029 53.963 54.000 -0.110 0.000 0.983 644 D CB -0.205 40.515 40.800 -0.135 0.000 1.074 644 D HN 0.424 nan 8.370 nan 0.000 0.496 645 N N 1.248 119.917 118.700 -0.052 0.000 2.437 645 N HA 0.129 4.869 4.740 0.000 0.000 0.259 645 N C 0.359 176.041 175.510 0.287 0.000 0.983 645 N CA -0.357 52.684 53.050 -0.014 0.000 0.937 645 N CB 0.680 38.943 38.487 -0.373 0.000 1.122 645 N HN 0.021 nan 8.380 nan 0.000 0.499 646 R N 2.706 123.522 120.500 0.526 0.000 2.362 646 R HA 0.205 4.545 4.340 0.000 0.000 0.227 646 R C -0.433 175.892 176.300 0.042 0.000 0.905 646 R CA 0.020 56.325 56.100 0.340 0.000 1.067 646 R CB -0.248 30.108 30.300 0.093 0.000 1.078 646 R HN 0.408 nan 8.270 nan 0.000 0.516 647 F N 0.197 120.164 119.950 0.028 0.000 2.436 647 F HA 0.436 4.963 4.527 0.000 0.000 0.340 647 F C 0.131 175.775 175.800 -0.260 0.000 1.113 647 F CA -0.893 57.096 58.000 -0.018 0.000 1.022 647 F CB 1.052 40.028 39.000 -0.039 0.000 1.128 647 F HN -0.251 nan 8.300 nan 0.000 0.466 648 F N 3.330 123.576 119.950 0.493 0.000 2.598 648 F HA 0.690 5.217 4.527 0.000 0.000 0.327 648 F C -0.008 175.975 175.800 0.304 0.000 1.057 648 F CA -1.321 56.956 58.000 0.461 0.000 0.957 648 F CB 1.789 40.942 39.000 0.256 0.000 1.278 648 F HN 0.235 nan 8.300 nan 0.000 0.484 649 I N 0.184 120.989 120.570 0.392 0.000 2.646 649 I HA 0.953 5.123 4.170 0.000 0.000 0.299 649 I C -1.219 175.083 176.117 0.309 0.000 1.036 649 I CA -0.991 60.407 61.300 0.163 0.000 1.074 649 I CB 2.182 39.966 38.000 -0.360 0.000 1.258 649 I HN 0.615 nan 8.210 nan 0.000 0.430 650 A N 4.008 127.053 122.820 0.374 0.000 2.684 650 A HA 0.716 5.036 4.320 0.000 0.000 0.289 650 A C -0.629 177.123 177.584 0.280 0.000 1.139 650 A CA -0.251 51.977 52.037 0.318 0.000 0.793 650 A CB 0.844 19.975 19.000 0.218 0.000 1.334 650 A HN 0.894 nan 8.150 nan 0.000 0.408 651 S N 0.972 116.808 115.700 0.226 0.000 2.587 651 S HA 0.449 4.919 4.470 0.000 0.000 0.269 651 S C 0.254 174.770 174.600 -0.140 0.000 1.154 651 S CA 0.259 58.437 58.200 -0.036 0.000 0.824 651 S CB 1.063 64.136 63.200 -0.212 0.000 1.118 651 S HN 0.877 nan 8.310 nan 0.000 0.462 652 D N 1.761 122.069 120.400 -0.153 0.000 2.265 652 D HA -0.060 4.580 4.640 0.000 0.000 0.208 652 D C 1.404 177.584 176.300 -0.199 0.000 0.977 652 D CA 1.533 55.449 54.000 -0.141 0.000 0.871 652 D CB -0.553 40.173 40.800 -0.123 0.000 0.925 652 D HN 0.263 nan 8.370 nan 0.000 0.485 653 S N -0.658 114.816 115.700 -0.377 0.000 2.442 653 S HA -0.123 4.348 4.470 0.000 0.000 0.236 653 S C 0.202 174.522 174.600 -0.467 0.000 1.007 653 S CA 0.477 58.425 58.200 -0.421 0.000 0.965 653 S CB -0.328 62.571 63.200 -0.501 0.000 0.773 653 S HN 0.399 nan 8.310 nan 0.000 0.504 654 Y N 1.518 121.857 120.300 0.064 0.000 2.751 654 Y HA 0.461 5.011 4.550 0.000 0.000 0.289 654 Y C 0.776 176.743 175.900 0.111 0.000 1.110 654 Y CA -1.255 56.892 58.100 0.079 0.000 1.251 654 Y CB -0.559 37.972 38.460 0.117 0.000 1.178 654 Y HN 0.143 nan 8.280 nan 0.000 0.540 655 S N -1.922 113.777 115.700 -0.001 0.000 2.732 655 S HA 0.430 4.900 4.470 0.000 0.000 0.293 655 S C -0.275 174.034 174.600 -0.486 0.000 1.159 655 S CA -0.759 57.365 58.200 -0.127 0.000 0.847 655 S CB 1.424 64.588 63.200 -0.060 0.000 1.169 655 S HN 0.294 nan 8.310 nan 0.000 0.501 656 H N 0.509 119.360 119.070 -0.364 0.000 2.524 656 H HA 0.462 5.018 4.556 0.000 0.000 0.299 656 H C -0.590 174.582 175.328 -0.260 0.000 1.074 656 H CA 0.038 55.904 56.048 -0.303 0.000 1.115 656 H CB -0.255 29.273 29.762 -0.391 0.000 1.522 656 H HN 0.360 nan 8.280 nan 0.000 0.543 657 L N 0.312 121.450 121.223 -0.141 0.000 2.745 657 L HA 0.282 4.622 4.340 0.000 0.000 0.296 657 L C 0.848 177.776 176.870 0.097 0.000 1.362 657 L CA -0.621 54.197 54.840 -0.037 0.000 0.724 657 L CB 1.151 43.042 42.059 -0.281 0.000 1.069 657 L HN 0.171 nan 8.230 nan 0.000 0.535 658 G N -0.770 108.051 108.800 0.036 0.000 2.353 658 G HA2 0.356 4.316 3.960 0.000 0.000 0.239 658 G HA3 0.356 4.316 3.960 0.000 0.000 0.239 658 G C 1.060 175.852 174.900 -0.180 0.000 1.295 658 G CA 0.891 45.984 45.100 -0.012 0.000 0.884 658 G HN 0.676 nan 8.290 nan 0.000 0.537 659 G N 0.377 108.911 108.800 -0.443 0.000 2.157 659 G HA2 -0.209 3.751 3.960 0.000 0.000 0.239 659 G HA3 -0.209 3.751 3.960 0.000 0.000 0.239 659 G C -0.065 173.979 174.900 -1.427 0.000 0.982 659 G CA 0.283 44.559 45.100 -1.372 0.000 0.650 659 G HN 0.822 nan 8.290 nan 0.000 0.527 660 W N -0.920 120.231 121.300 -0.248 0.000 3.022 660 W HA 0.651 5.311 4.660 0.000 0.000 0.335 660 W C 1.221 177.663 176.519 -0.128 0.000 1.133 660 W CA -1.097 56.191 57.345 -0.094 0.000 1.219 660 W CB 0.721 30.242 29.460 0.101 0.000 1.409 660 W HN -0.074 nan 8.180 nan 0.000 0.507 661 L N 0.987 122.275 121.223 0.108 0.000 2.081 661 L HA -0.255 4.085 4.340 0.000 0.000 0.212 661 L C 2.320 179.042 176.870 -0.246 0.000 1.080 661 L CA 1.671 56.355 54.840 -0.260 0.000 0.754 661 L CB -0.357 41.549 42.059 -0.255 0.000 0.893 661 L HN 0.609 nan 8.230 nan 0.000 0.433 662 E N 0.510 120.830 120.200 0.201 0.000 2.118 662 E HA -0.179 4.171 4.350 0.000 0.000 0.195 662 E C 2.113 178.751 176.600 0.064 0.000 0.992 662 E CA 1.467 58.018 56.400 0.252 0.000 0.804 662 E CB -0.294 29.601 29.700 0.325 0.000 0.741 662 E HN 0.388 nan 8.360 nan 0.000 0.458 663 G N 0.027 108.831 108.800 0.007 0.000 2.402 663 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 663 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 663 G C 1.688 176.577 174.900 -0.019 0.000 1.162 663 G CA 0.888 45.956 45.100 -0.054 0.000 0.777 663 G HN 0.431 nan 8.290 nan 0.000 0.539 664 A N 0.616 123.384 122.820 -0.086 0.000 1.908 664 A HA 0.081 4.401 4.320 0.000 0.000 0.218 664 A C 2.156 179.797 177.584 0.096 0.000 1.181 664 A CA 1.526 53.514 52.037 -0.081 0.000 0.627 664 A CB -0.545 18.305 19.000 -0.251 0.000 0.818 664 A HN 0.254 nan 8.150 nan 0.000 0.445 665 F N -0.449 119.563 119.950 0.103 0.000 2.146 665 F HA -0.068 4.459 4.527 0.000 0.000 0.298 665 F C 2.500 178.428 175.800 0.213 0.000 1.096 665 F CA 0.981 59.094 58.000 0.188 0.000 1.275 665 F CB -0.971 38.216 39.000 0.311 0.000 1.008 665 F HN 0.120 nan 8.300 nan 0.000 0.480 666 M N -0.950 118.833 119.600 0.305 0.000 2.117 666 M HA -0.215 4.265 4.480 0.000 0.000 0.262 666 M C 2.510 178.986 176.300 0.292 0.000 1.065 666 M CA 1.885 57.305 55.300 0.200 0.000 1.114 666 M CB -0.640 31.833 32.600 -0.210 0.000 1.361 666 M HN 0.125 nan 8.290 nan 0.000 0.408 667 S N 0.216 116.051 115.700 0.224 0.000 2.368 667 S HA -0.099 4.371 4.470 0.000 0.000 0.224 667 S C 1.993 176.697 174.600 0.173 0.000 1.029 667 S CA 1.320 59.644 58.200 0.207 0.000 0.988 667 S CB -0.183 63.154 63.200 0.229 0.000 0.838 667 S HN 0.486 nan 8.310 nan 0.000 0.462 668 A N 1.130 124.073 122.820 0.205 0.000 1.908 668 A HA -0.041 4.279 4.320 0.000 0.000 0.218 668 A C 2.136 179.795 177.584 0.126 0.000 1.181 668 A CA 1.643 53.784 52.037 0.173 0.000 0.627 668 A CB -0.880 18.243 19.000 0.205 0.000 0.818 668 A HN 0.536 nan 8.150 nan 0.000 0.445 669 L N 0.226 121.560 121.223 0.184 0.000 2.046 669 L HA -0.169 4.171 4.340 0.000 0.000 0.208 669 L C 2.080 178.916 176.870 -0.057 0.000 1.077 669 L CA 1.876 56.782 54.840 0.111 0.000 0.747 669 L CB -0.618 41.570 42.059 0.216 0.000 0.896 669 L HN 0.345 nan 8.230 nan 0.000 0.432 670 N N -0.163 118.471 118.700 -0.110 0.000 2.069 670 N HA -0.181 4.559 4.740 0.000 0.000 0.191 670 N C 1.839 177.102 175.510 -0.412 0.000 1.031 670 N CA 1.633 54.356 53.050 -0.546 0.000 0.852 670 N CB -0.592 37.368 38.487 -0.878 0.000 1.018 670 N HN 0.452 nan 8.380 nan 0.000 0.423 671 A N 0.656 123.383 122.820 -0.154 0.000 1.883 671 A HA -0.099 4.221 4.320 0.000 0.000 0.217 671 A C 2.509 179.914 177.584 -0.297 0.000 1.186 671 A CA 1.603 53.613 52.037 -0.045 0.000 0.624 671 A CB -0.823 18.252 19.000 0.124 0.000 0.822 671 A HN 0.126 nan 8.150 nan 0.000 0.444 672 V N -0.272 119.513 119.914 -0.215 0.000 2.453 672 V HA -0.176 3.944 4.120 0.000 0.000 0.247 672 V C 3.022 178.918 176.094 -0.329 0.000 1.048 672 V CA 1.695 63.833 62.300 -0.269 0.000 1.049 672 V CB -1.229 30.510 31.823 -0.140 0.000 0.672 672 V HN 0.617 nan 8.190 nan 0.000 0.457 673 A N 0.813 123.478 122.820 -0.259 0.000 1.883 673 A HA -0.120 4.200 4.320 0.000 0.000 0.217 673 A C 2.435 179.852 177.584 -0.279 0.000 1.186 673 A CA 2.071 53.972 52.037 -0.227 0.000 0.624 673 A CB -1.288 17.614 19.000 -0.162 0.000 0.822 673 A HN 0.514 nan 8.150 nan 0.000 0.444 674 G N -0.307 108.301 108.800 -0.320 0.000 2.418 674 G HA2 -0.204 3.756 3.960 0.000 0.000 0.217 674 G HA3 -0.204 3.756 3.960 0.000 0.000 0.217 674 G C 1.604 175.982 174.900 -0.869 0.000 1.158 674 G CA 1.021 45.877 45.100 -0.407 0.000 0.771 674 G HN 0.518 nan 8.290 nan 0.000 0.545 675 L N 0.131 120.512 121.223 -1.404 0.000 2.042 675 L HA -0.057 4.283 4.340 0.000 0.000 0.210 675 L C 2.784 179.213 176.870 -0.736 0.000 1.076 675 L CA 1.209 55.321 54.840 -1.213 0.000 0.749 675 L CB -0.190 41.280 42.059 -0.981 0.000 0.893 675 L HN 0.248 nan 8.230 nan 0.000 0.432 676 I N -1.226 119.027 120.570 -0.528 0.000 2.163 676 I HA -0.306 3.864 4.170 0.000 0.000 0.243 676 I C 2.374 178.327 176.117 -0.273 0.000 1.085 676 I CA 1.361 62.442 61.300 -0.365 0.000 1.347 676 I CB -0.339 37.499 38.000 -0.270 0.000 1.044 676 I HN 0.087 nan 8.210 nan 0.000 0.408 677 V N 0.789 120.561 119.914 -0.237 0.000 2.343 677 V HA -0.289 3.831 4.120 0.000 0.000 0.247 677 V C 2.612 178.650 176.094 -0.095 0.000 1.051 677 V CA 2.063 64.279 62.300 -0.140 0.000 1.036 677 V CB -0.780 30.974 31.823 -0.115 0.000 0.654 677 V HN 0.393 nan 8.190 nan 0.000 0.451 678 R N 1.266 121.707 120.500 -0.098 0.000 2.081 678 R HA -0.084 4.256 4.340 0.000 0.000 0.235 678 R C 2.106 178.426 176.300 0.034 0.000 1.131 678 R CA 1.939 58.065 56.100 0.043 0.000 0.960 678 R CB -0.967 29.480 30.300 0.243 0.000 0.856 678 R HN 0.434 nan 8.270 nan 0.000 0.436 679 A N 0.200 122.912 122.820 -0.180 0.000 2.015 679 A HA -0.058 4.262 4.320 0.000 0.000 0.219 679 A C 1.324 178.956 177.584 0.081 0.000 1.163 679 A CA 1.436 53.462 52.037 -0.019 0.000 0.646 679 A CB -0.359 18.482 19.000 -0.266 0.000 0.806 679 A HN 0.451 nan 8.150 nan 0.000 0.448 680 N N -0.197 118.504 118.700 0.002 0.000 2.295 680 N HA 0.088 4.828 4.740 0.000 0.000 0.221 680 N C -0.569 174.961 175.510 0.033 0.000 1.129 680 N CA 0.015 53.077 53.050 0.019 0.000 0.836 680 N CB 0.128 38.602 38.487 -0.021 0.000 1.040 680 N HN 0.392 nan 8.380 nan 0.000 0.494 681 R N -0.344 120.193 120.500 0.062 0.000 3.416 681 R HA -0.220 4.120 4.340 0.000 0.000 0.263 681 R C 0.861 177.184 176.300 0.039 0.000 1.053 681 R CA 0.432 56.572 56.100 0.067 0.000 0.705 681 R CB -2.141 28.200 30.300 0.067 0.000 1.124 681 R HN 0.436 nan 8.270 nan 0.000 0.444 682 G N -0.477 108.338 108.800 0.025 0.000 2.175 682 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 682 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 682 G C -0.321 174.573 174.900 -0.009 0.000 0.982 682 G CA 0.093 45.198 45.100 0.007 0.000 0.641 682 G HN 0.492 nan 8.290 nan 0.000 0.527 683 D N 1.156 121.549 120.400 -0.012 0.000 2.365 683 D HA 0.428 5.068 4.640 0.000 0.000 0.237 683 D C 1.971 178.250 176.300 -0.034 0.000 1.190 683 D CA 0.251 54.240 54.000 -0.018 0.000 0.867 683 D CB 1.143 41.937 40.800 -0.011 0.000 1.050 683 D HN 0.615 nan 8.370 nan 0.000 0.491 684 V N 2.266 122.159 119.914 -0.036 0.000 2.759 684 V HA -0.162 3.958 4.120 0.000 0.000 0.256 684 V C 1.926 177.993 176.094 -0.044 0.000 1.080 684 V CA 1.751 64.023 62.300 -0.046 0.000 1.101 684 V CB -1.053 30.745 31.823 -0.043 0.000 0.698 684 V HN 0.532 nan 8.190 nan 0.000 0.477 685 S N 1.491 117.171 115.700 -0.034 0.000 2.469 685 S HA 0.008 4.478 4.470 0.000 0.000 0.238 685 S C 1.965 176.542 174.600 -0.038 0.000 0.998 685 S CA 1.191 59.372 58.200 -0.032 0.000 0.957 685 S CB -0.615 62.572 63.200 -0.023 0.000 0.764 685 S HN 1.102 nan 8.310 nan 0.000 0.514 686 A N 1.131 123.924 122.820 -0.045 0.000 2.067 686 A HA 0.335 4.655 4.320 0.000 0.000 0.219 686 A C 1.051 178.593 177.584 -0.069 0.000 1.158 686 A CA 0.301 52.306 52.037 -0.054 0.000 0.661 686 A CB -0.512 18.452 19.000 -0.060 0.000 0.801 686 A HN 0.589 nan 8.150 nan 0.000 0.452 687 L N 1.188 122.367 121.223 -0.073 0.000 2.417 687 L HA 0.194 4.534 4.340 0.000 0.000 0.268 687 L C 1.180 178.011 176.870 -0.065 0.000 1.158 687 L CA -0.411 54.381 54.840 -0.080 0.000 0.819 687 L CB 0.973 42.980 42.059 -0.086 0.000 1.112 687 L HN 0.412 nan 8.230 nan 0.000 0.458 688 S N 0.629 116.289 115.700 -0.066 0.000 2.569 688 S HA -0.025 4.445 4.470 0.000 0.000 0.274 688 S C 1.156 175.726 174.600 -0.051 0.000 1.353 688 S CA -0.135 58.033 58.200 -0.054 0.000 1.023 688 S CB 0.876 64.044 63.200 -0.053 0.000 0.876 688 S HN 0.691 nan 8.310 nan 0.000 0.540 689 T N 1.672 116.201 114.554 -0.040 0.000 2.665 689 T HA -0.125 4.225 4.350 0.000 0.000 0.268 689 T C 1.606 176.280 174.700 -0.043 0.000 1.035 689 T CA 1.790 63.868 62.100 -0.036 0.000 1.151 689 T CB -0.433 68.418 68.868 -0.027 0.000 0.862 689 T HN 0.691 nan 8.240 nan 0.000 0.438 690 E N 0.842 121.014 120.200 -0.046 0.000 2.216 690 E HA 0.119 4.469 4.350 0.000 0.000 0.192 690 E C 2.314 178.866 176.600 -0.080 0.000 0.988 690 E CA 0.752 57.120 56.400 -0.054 0.000 0.834 690 E CB -0.249 29.422 29.700 -0.050 0.000 0.772 690 E HN 0.538 nan 8.360 nan 0.000 0.479 691 A N 0.882 123.648 122.820 -0.089 0.000 2.081 691 A HA -0.009 4.311 4.320 0.000 0.000 0.214 691 A C 2.094 179.611 177.584 -0.112 0.000 1.158 691 A CA 0.406 52.370 52.037 -0.122 0.000 0.724 691 A CB -0.222 18.707 19.000 -0.118 0.000 0.826 691 A HN 0.042 nan 8.150 nan 0.000 0.463 692 R N 0.273 120.724 120.500 -0.081 0.000 2.096 692 R HA -0.146 4.194 4.340 0.000 0.000 0.240 692 R C -1.040 175.222 176.300 -0.063 0.000 1.139 692 R CA 2.146 58.205 56.100 -0.068 0.000 0.952 692 R CB -1.095 29.174 30.300 -0.051 0.000 0.854 692 R HN 0.352 nan 8.270 nan 0.000 0.436 693 P HA -0.126 nan 4.420 nan 0.000 0.223 693 P C 0.807 178.079 177.300 -0.047 0.000 1.144 693 P CA 1.061 64.136 63.100 -0.041 0.000 0.783 693 P CB -0.060 31.621 31.700 -0.032 0.000 0.771 694 L N -1.725 119.434 121.223 -0.108 0.000 2.127 694 L HA -0.156 4.184 4.340 0.000 0.000 0.211 694 L C 2.114 179.015 176.870 0.051 0.000 1.089 694 L CA 1.329 56.102 54.840 -0.113 0.000 0.757 694 L CB -0.713 41.207 42.059 -0.232 0.000 0.899 694 L HN -0.055 nan 8.230 nan 0.000 0.434 695 V N -0.165 119.752 119.914 0.004 0.000 2.581 695 V HA -0.097 4.023 4.120 0.000 0.000 0.240 695 V C 1.994 178.056 176.094 -0.053 0.000 1.054 695 V CA 1.177 63.459 62.300 -0.031 0.000 1.076 695 V CB 0.233 32.023 31.823 -0.054 0.000 0.748 695 V HN 0.420 nan 8.190 nan 0.000 0.474 696 I N -0.633 119.916 120.570 -0.035 0.000 3.251 696 I HA 0.200 4.370 4.170 0.000 0.000 0.277 696 I C 1.884 178.001 176.117 -0.001 0.000 1.268 696 I CA 1.325 62.610 61.300 -0.025 0.000 1.449 696 I CB -0.573 37.412 38.000 -0.025 0.000 1.083 696 I HN 0.209 nan 8.210 nan 0.000 0.464 697 G N 2.005 110.814 108.800 0.016 0.000 2.920 697 G HA2 0.291 4.251 3.960 0.000 0.000 0.208 697 G HA3 0.291 4.251 3.960 0.000 0.000 0.208 697 G C 0.566 175.515 174.900 0.082 0.000 1.159 697 G CA -0.089 45.040 45.100 0.048 0.000 0.784 697 G HN 0.272 nan 8.290 nan 0.000 0.535 698 L N -0.111 121.150 121.223 0.064 0.000 2.330 698 L HA 0.495 4.835 4.340 0.000 0.000 0.271 698 L C 0.186 177.089 176.870 0.056 0.000 1.013 698 L CA -1.210 53.684 54.840 0.091 0.000 0.816 698 L CB 1.908 44.001 42.059 0.057 0.000 1.287 698 L HN -0.075 nan 8.230 nan 0.000 0.435 699 R N 2.469 123.021 120.500 0.087 0.000 2.449 699 R HA 0.157 4.497 4.340 0.000 0.000 0.296 699 R C -2.208 174.109 176.300 0.029 0.000 1.047 699 R CA -1.417 54.720 56.100 0.062 0.000 1.018 699 R CB 0.024 30.378 30.300 0.090 0.000 0.962 699 R HN 0.308 nan 8.270 nan 0.000 0.428 700 P HA -0.047 nan 4.420 nan 0.000 0.272 700 P C 0.734 178.034 177.300 -0.000 0.000 1.223 700 P CA -0.022 63.063 63.100 -0.025 0.000 0.784 700 P CB 0.819 32.503 31.700 -0.027 0.000 0.923 701 V N 0.162 120.068 119.914 -0.012 0.000 3.541 701 V HA 0.079 4.199 4.120 0.000 0.000 0.267 701 V C 0.765 176.873 176.094 0.023 0.000 1.213 701 V CA 0.487 62.801 62.300 0.023 0.000 1.149 701 V CB -0.546 31.302 31.823 0.042 0.000 0.822 701 V HN 0.390 nan 8.190 nan 0.000 0.462 702 V N -1.679 118.240 119.914 0.008 0.000 2.656 702 V HA 0.756 4.876 4.120 0.000 0.000 0.307 702 V C -0.456 175.642 176.094 0.007 0.000 1.051 702 V CA -1.314 60.993 62.300 0.011 0.000 0.893 702 V CB 1.748 33.577 31.823 0.010 0.000 0.999 702 V HN 0.243 nan 8.190 nan 0.000 0.426 703 K N 3.916 124.322 120.400 0.010 0.000 2.297 703 K HA 0.692 5.012 4.320 0.000 0.000 0.286 703 K C -0.511 176.091 176.600 0.004 0.000 1.053 703 K CA 0.037 56.329 56.287 0.008 0.000 0.940 703 K CB 0.908 33.414 32.500 0.011 0.000 1.019 703 K HN 1.309 nan 8.250 nan 0.000 0.475 704 V N 1.344 121.259 119.914 0.001 0.000 3.130 704 V HA 0.694 4.814 4.120 0.000 0.000 0.310 704 V C -2.385 173.709 176.094 -0.000 0.000 1.158 704 V CA -2.216 60.084 62.300 0.000 0.000 1.029 704 V CB 0.787 32.608 31.823 -0.004 0.000 1.057 704 V HN 0.718 nan 8.190 nan 0.000 0.436 705 P HA 0.418 nan 4.420 nan 0.000 0.268 705 P C 0.024 177.324 177.300 -0.002 0.000 1.208 705 P CA 0.345 63.446 63.100 0.000 0.000 0.777 705 P CB 0.197 31.898 31.700 0.000 0.000 0.875 706 A N 2.421 125.240 122.820 -0.001 0.000 2.587 706 A HA 0.365 4.685 4.320 0.000 0.000 0.233 706 A C 0.832 178.415 177.584 -0.003 0.000 1.049 706 A CA 0.466 52.502 52.037 -0.001 0.000 0.754 706 A CB -1.237 17.763 19.000 -0.000 0.000 0.977 706 A HN 1.009 nan 8.150 nan 0.000 0.509 707 A N 0.000 122.817 122.820 -0.005 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 -0.005 0.000 0.831 707 A HN 0.000 nan 8.150 nan 0.000 0.486