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 1d2m_1_A DATA FIRST_RESID 2 DATA SEQUENCE TFRYRGPSPK GDQPKAIAGL VEALRDGERF VTLLGATGTG KTVTMAKVIE DATA SEQUENCE ALGRPALVLA PNKILAAQLA AEFRELFPEN AVEYFISYYD YYQPEAYVPG DATA SEQUENCE KDLYIEKDAS INPEIERLRH STTRSLLTRR DVIVVASVSA IYGLGDPREY DATA SEQUENCE RARNLVVXXX XXXXREVLLE RLLELGYQRN DIDLSPGRFR AKGEVLEIFP DATA SEQUENCE AYETEPIRVE LXXXXXXXXX XXXXXXXXXX XXXXGFVLFP ATHYLSPEGL DATA SEQUENCE EEILKEIEKE LWERVRYFEE RGEVLYAQRL KERTLYDLEM LRVMGTCPGV DATA SEQUENCE ENYARYFTGK APGEPPYTLL DYFPEDFLVF LDESHVTVPQ LQGMYRGDYA DATA SEQUENCE RKKTLVDYGF RLPSALDNRP LRFEEFLERV SQVVFVSATP GPFELAHSGR DATA SEQUENCE VVEQIIRPTG LLDPLVRVKP TENQILDLME GIRERAARGE RTLVTVLTVR DATA SEQUENCE MAEELTSFLV EHGIRARYLH HELDAFKRQA LIRDLRLGHY DCLVGINLLR DATA SEQUENCE EGLDIPEVSL VAILDADKEG FLRSERSLIQ TIGRAARNAR GEVWLYADRV DATA SEQUENCE SEAMQRAIEE TNRRRALQEA YNLEHGITPE TV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.526 174.700 -0.290 0.000 1.109 2 T CA 0.000 61.992 62.100 -0.180 0.000 1.349 2 T CB 0.000 68.838 68.868 -0.050 0.000 0.612 3 F N 1.464 121.448 119.950 0.056 0.000 2.403 3 F HA 0.802 5.329 4.527 -0.001 0.000 0.326 3 F C 0.805 176.754 175.800 0.248 0.000 1.081 3 F CA -1.039 57.029 58.000 0.113 0.000 1.041 3 F CB 1.117 40.123 39.000 0.009 0.000 1.234 3 F HN 0.260 nan 8.300 nan 0.000 0.503 4 R N 1.797 122.632 120.500 0.557 0.000 2.443 4 R HA 0.240 4.580 4.340 -0.001 0.000 0.287 4 R C -1.694 174.846 176.300 0.400 0.000 1.425 4 R CA -0.746 55.588 56.100 0.389 0.000 1.300 4 R CB -0.351 30.086 30.300 0.228 0.000 1.129 4 R HN 0.548 nan 8.270 nan 0.000 0.577 5 Y N 3.091 123.527 120.300 0.227 0.000 2.526 5 Y HA 0.147 4.697 4.550 -0.001 0.000 0.330 5 Y C 0.228 176.066 175.900 -0.103 0.000 1.156 5 Y CA 0.512 58.537 58.100 -0.126 0.000 1.419 5 Y CB 0.774 39.191 38.460 -0.072 0.000 1.250 5 Y HN 0.436 nan 8.280 nan 0.000 0.540 6 R N 4.148 124.169 120.500 -0.799 0.000 2.566 6 R HA 0.256 4.596 4.340 -0.001 0.000 0.388 6 R C 0.508 176.394 176.300 -0.691 0.000 0.989 6 R CA 0.294 56.071 56.100 -0.539 0.000 1.164 6 R CB 0.363 30.505 30.300 -0.264 0.000 1.459 6 R HN 0.851 nan 8.270 nan 0.000 0.553 7 G N 2.101 110.091 108.800 -1.351 0.000 2.510 7 G HA2 0.365 4.324 3.960 -0.001 0.000 0.280 7 G HA3 0.365 4.324 3.960 -0.001 0.000 0.280 7 G C -2.160 172.540 174.900 -0.333 0.000 1.386 7 G CA -0.761 43.882 45.100 -0.762 0.000 1.047 7 G HN -0.072 nan 8.290 nan 0.000 0.527 8 P HA 0.165 nan 4.420 nan 0.000 0.271 8 P C 0.220 177.624 177.300 0.174 0.000 1.218 8 P CA -0.186 62.938 63.100 0.040 0.000 0.780 8 P CB 1.041 32.752 31.700 0.018 0.000 0.901 9 S N 2.841 118.615 115.700 0.123 0.000 2.572 9 S HA 0.226 4.696 4.470 -0.001 0.000 0.279 9 S C -1.935 172.705 174.600 0.067 0.000 1.341 9 S CA -1.028 57.243 58.200 0.119 0.000 1.043 9 S CB -0.748 62.496 63.200 0.072 0.000 0.887 9 S HN 0.393 nan 8.310 nan 0.000 0.516 10 P HA 0.239 nan 4.420 nan 0.000 0.268 10 P C -0.622 176.676 177.300 -0.004 0.000 1.204 10 P CA -0.138 62.959 63.100 -0.006 0.000 0.768 10 P CB 0.483 32.159 31.700 -0.040 0.000 0.842 11 K N 1.125 121.514 120.400 -0.018 0.000 2.372 11 K HA 0.586 4.906 4.320 -0.001 0.000 0.251 11 K C 0.735 177.289 176.600 -0.076 0.000 1.055 11 K CA -0.367 55.904 56.287 -0.027 0.000 0.879 11 K CB 1.335 33.825 32.500 -0.016 0.000 1.384 11 K HN 0.652 nan 8.250 nan 0.000 0.465 12 G N 1.329 110.052 108.800 -0.127 0.000 2.583 12 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.292 12 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.292 12 G C 0.165 174.901 174.900 -0.273 0.000 1.203 12 G CA 0.757 45.660 45.100 -0.329 0.000 0.987 12 G HN 0.662 nan 8.290 nan 0.000 0.554 13 D N 1.094 121.354 120.400 -0.233 0.000 2.340 13 D HA 0.142 4.782 4.640 -0.001 0.000 0.220 13 D C 2.542 178.801 176.300 -0.069 0.000 1.039 13 D CA 0.667 54.586 54.000 -0.135 0.000 0.866 13 D CB 0.091 40.820 40.800 -0.118 0.000 0.913 13 D HN 0.600 nan 8.370 nan 0.000 0.523 14 Q N 0.282 120.042 119.800 -0.067 0.000 2.061 14 Q HA -0.131 4.208 4.340 -0.001 0.000 0.204 14 Q C -0.647 175.337 176.000 -0.025 0.000 0.984 14 Q CA 1.331 57.110 55.803 -0.039 0.000 0.846 14 Q CB -0.886 27.827 28.738 -0.041 0.000 0.902 14 Q HN 0.287 nan 8.270 nan 0.000 0.421 15 P HA -0.208 nan 4.420 nan 0.000 0.215 15 P C 0.976 178.278 177.300 0.004 0.000 1.157 15 P CA 1.318 64.415 63.100 -0.006 0.000 0.868 15 P CB -0.029 31.675 31.700 0.008 0.000 0.788 16 K N -0.470 119.934 120.400 0.007 0.000 2.057 16 K HA -0.118 4.202 4.320 -0.001 0.000 0.207 16 K C 1.974 178.582 176.600 0.013 0.000 1.049 16 K CA 1.418 57.714 56.287 0.014 0.000 0.931 16 K CB -0.578 31.932 32.500 0.017 0.000 0.714 16 K HN -0.049 nan 8.250 nan 0.000 0.440 17 A N 1.508 124.332 122.820 0.007 0.000 1.858 17 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 17 A C 1.174 178.773 177.584 0.025 0.000 1.190 17 A CA 0.901 52.949 52.037 0.018 0.000 0.617 17 A CB -0.515 18.494 19.000 0.015 0.000 0.827 17 A HN 0.286 nan 8.150 nan 0.000 0.443 18 I N -0.420 120.160 120.570 0.016 0.000 2.836 18 I HA 0.326 4.496 4.170 -0.001 0.000 0.285 18 I C 0.794 176.921 176.117 0.017 0.000 1.174 18 I CA 0.568 61.878 61.300 0.016 0.000 1.405 18 I CB 0.218 38.213 38.000 -0.009 0.000 1.385 18 I HN 0.668 nan 8.210 nan 0.000 0.594 19 A N 4.170 127.002 122.820 0.020 0.000 2.434 19 A HA 0.214 4.534 4.320 -0.001 0.000 0.686 19 A C 0.945 178.542 177.584 0.021 0.000 0.139 19 A CA 0.291 52.339 52.037 0.019 0.000 0.029 19 A CB -1.636 17.374 19.000 0.017 0.000 3.971 19 A HN 1.943 nan 8.150 nan 0.000 0.548 20 G N 0.017 108.829 108.800 0.019 0.000 2.729 20 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.216 20 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.216 20 G C 1.078 175.991 174.900 0.022 0.000 1.252 20 G CA 0.894 46.006 45.100 0.020 0.000 0.751 20 G HN 2.071 nan 8.290 nan 0.000 0.527 21 L N 1.303 122.542 121.223 0.027 0.000 2.068 21 L HA 0.329 4.668 4.340 -0.001 0.000 0.204 21 L C 3.127 180.006 176.870 0.016 0.000 1.076 21 L CA 2.328 57.186 54.840 0.030 0.000 0.753 21 L CB -0.611 41.480 42.059 0.053 0.000 0.910 21 L HN 0.323 nan 8.230 nan 0.000 0.439 22 V N -0.441 119.486 119.914 0.022 0.000 2.358 22 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 22 V C 2.516 178.614 176.094 0.006 0.000 1.047 22 V CA 1.816 64.126 62.300 0.016 0.000 1.035 22 V CB -0.485 31.352 31.823 0.023 0.000 0.658 22 V HN 0.555 nan 8.190 nan 0.000 0.452 23 E N 0.343 120.548 120.200 0.009 0.000 2.077 23 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 23 E C 2.232 178.831 176.600 -0.002 0.000 0.989 23 E CA 1.421 57.824 56.400 0.005 0.000 0.800 23 E CB -0.205 29.500 29.700 0.010 0.000 0.746 23 E HN 0.556 nan 8.360 nan 0.000 0.452 24 A N 0.940 123.759 122.820 -0.001 0.000 1.902 24 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 24 A C 2.092 179.659 177.584 -0.028 0.000 1.181 24 A CA 1.054 53.086 52.037 -0.007 0.000 0.623 24 A CB -0.476 18.525 19.000 0.003 0.000 0.818 24 A HN 0.293 nan 8.150 nan 0.000 0.443 25 L N -0.365 120.835 121.223 -0.039 0.000 2.056 25 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 25 L C 2.529 179.366 176.870 -0.054 0.000 1.078 25 L CA 1.688 56.488 54.840 -0.067 0.000 0.749 25 L CB -1.258 40.755 42.059 -0.076 0.000 0.901 25 L HN 0.380 nan 8.230 nan 0.000 0.433 26 R N -0.480 120.001 120.500 -0.031 0.000 2.148 26 R HA -0.107 4.232 4.340 -0.001 0.000 0.227 26 R C 1.177 177.462 176.300 -0.026 0.000 1.103 26 R CA 0.849 56.935 56.100 -0.024 0.000 0.983 26 R CB -0.099 30.196 30.300 -0.009 0.000 0.874 26 R HN 0.356 nan 8.270 nan 0.000 0.451 27 D N -0.642 119.743 120.400 -0.025 0.000 2.349 27 D HA 0.043 4.682 4.640 -0.001 0.000 0.224 27 D C 0.965 177.244 176.300 -0.035 0.000 1.029 27 D CA 0.848 54.834 54.000 -0.023 0.000 0.879 27 D CB 0.600 41.391 40.800 -0.015 0.000 0.906 27 D HN 0.431 nan 8.370 nan 0.000 0.528 28 G N 1.068 109.838 108.800 -0.051 0.000 2.141 28 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.242 28 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.242 28 G C 0.088 174.936 174.900 -0.087 0.000 0.982 28 G CA -0.334 44.723 45.100 -0.071 0.000 0.662 28 G HN 0.169 nan 8.290 nan 0.000 0.527 29 E N -0.168 119.987 120.200 -0.075 0.000 2.376 29 E HA 0.194 4.543 4.350 -0.001 0.000 0.266 29 E C 1.405 177.915 176.600 -0.150 0.000 1.009 29 E CA -0.212 56.144 56.400 -0.073 0.000 0.902 29 E CB 0.995 30.679 29.700 -0.027 0.000 0.972 29 E HN 0.552 nan 8.360 nan 0.000 0.439 30 R N 2.966 123.335 120.500 -0.220 0.000 2.093 30 R HA 0.021 4.361 4.340 -0.001 0.000 0.224 30 R C 0.043 176.005 176.300 -0.564 0.000 1.101 30 R CA 0.837 56.654 56.100 -0.473 0.000 0.979 30 R CB 0.311 30.214 30.300 -0.662 0.000 0.877 30 R HN 0.320 nan 8.270 nan 0.000 0.441 31 F N 0.638 120.587 119.950 -0.002 0.000 2.493 31 F HA 0.461 4.988 4.527 -0.001 0.000 0.329 31 F C -0.749 175.103 175.800 0.087 0.000 1.126 31 F CA -1.121 56.922 58.000 0.072 0.000 0.937 31 F CB 2.269 41.446 39.000 0.295 0.000 1.146 31 F HN -0.314 nan 8.300 nan 0.000 0.442 32 V N 1.878 121.930 119.914 0.230 0.000 2.841 32 V HA 0.544 4.664 4.120 -0.001 0.000 0.310 32 V C -0.557 175.686 176.094 0.248 0.000 1.090 32 V CA -0.664 61.739 62.300 0.172 0.000 0.930 32 V CB 2.540 34.383 31.823 0.033 0.000 1.014 32 V HN 0.743 nan 8.190 nan 0.000 0.425 33 T N 4.595 119.297 114.554 0.247 0.000 2.807 33 T HA 0.557 4.906 4.350 -0.001 0.000 0.279 33 T C -0.893 173.908 174.700 0.168 0.000 0.993 33 T CA -0.285 61.977 62.100 0.271 0.000 0.970 33 T CB 1.400 70.418 68.868 0.251 0.000 0.950 33 T HN 0.469 nan 8.240 nan 0.000 0.441 34 L N 4.862 126.189 121.223 0.173 0.000 2.264 34 L HA 0.560 4.899 4.340 -0.001 0.000 0.287 34 L C -0.788 176.155 176.870 0.121 0.000 1.039 34 L CA -0.516 54.404 54.840 0.134 0.000 0.829 34 L CB 0.335 42.486 42.059 0.154 0.000 1.211 34 L HN 0.636 nan 8.230 nan 0.000 0.427 35 L N 5.720 126.994 121.223 0.084 0.000 2.282 35 L HA 0.689 5.029 4.340 -0.001 0.000 0.287 35 L C 0.120 177.014 176.870 0.040 0.000 1.075 35 L CA -0.185 54.690 54.840 0.059 0.000 0.839 35 L CB 0.293 42.374 42.059 0.038 0.000 1.219 35 L HN 0.827 nan 8.230 nan 0.000 0.434 36 G N 3.816 112.642 108.800 0.043 0.000 2.557 36 G HA2 0.627 4.586 3.960 -0.001 0.000 0.310 36 G HA3 0.627 4.586 3.960 -0.001 0.000 0.310 36 G C -0.347 174.559 174.900 0.010 0.000 1.328 36 G CA -0.251 44.864 45.100 0.024 0.000 0.945 36 G HN 0.834 nan 8.290 nan 0.000 0.494 37 A N 2.326 125.141 122.820 -0.008 0.000 2.429 37 A HA 0.596 4.916 4.320 -0.001 0.000 0.242 37 A C 1.293 178.869 177.584 -0.012 0.000 1.088 37 A CA 0.381 52.409 52.037 -0.016 0.000 0.784 37 A CB -0.125 18.861 19.000 -0.024 0.000 1.038 37 A HN 1.511 nan 8.150 nan 0.000 0.501 38 T N -1.013 113.533 114.554 -0.013 0.000 2.946 38 T HA 0.421 4.770 4.350 -0.001 0.000 0.311 38 T C 1.247 175.936 174.700 -0.019 0.000 1.063 38 T CA 0.451 62.544 62.100 -0.011 0.000 1.139 38 T CB 0.611 69.472 68.868 -0.011 0.000 0.994 38 T HN 2.441 nan 8.240 nan 0.000 0.547 39 G N 2.051 110.839 108.800 -0.020 0.000 2.155 39 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.257 39 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.257 39 G C 0.704 175.583 174.900 -0.034 0.000 0.983 39 G CA 0.790 45.873 45.100 -0.028 0.000 0.676 39 G HN 1.588 nan 8.290 nan 0.000 0.528 40 T N -2.112 112.422 114.554 -0.033 0.000 3.107 40 T HA 0.456 4.806 4.350 -0.001 0.000 0.249 40 T C 1.889 176.565 174.700 -0.039 0.000 1.096 40 T CA 1.082 63.155 62.100 -0.044 0.000 1.012 40 T CB 0.481 69.324 68.868 -0.042 0.000 0.977 40 T HN 2.181 nan 8.240 nan 0.000 0.527 41 G N 2.122 110.903 108.800 -0.033 0.000 2.341 41 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.278 41 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.278 41 G C 0.482 175.366 174.900 -0.026 0.000 1.111 41 G CA 0.156 45.236 45.100 -0.034 0.000 0.982 41 G HN 0.512 nan 8.290 nan 0.000 0.502 42 K N -0.771 119.620 120.400 -0.015 0.000 2.209 42 K HA -0.067 4.253 4.320 -0.001 0.000 0.204 42 K C 2.591 179.187 176.600 -0.007 0.000 1.048 42 K CA 1.669 57.962 56.287 0.010 0.000 0.940 42 K CB -0.077 32.446 32.500 0.038 0.000 0.729 42 K HN 0.450 nan 8.250 nan 0.000 0.451 43 T N 0.888 115.401 114.554 -0.069 0.000 2.777 43 T HA -0.094 4.256 4.350 -0.001 0.000 0.266 43 T C 1.996 176.644 174.700 -0.087 0.000 1.040 43 T CA 0.986 62.986 62.100 -0.166 0.000 1.141 43 T CB -0.123 68.542 68.868 -0.339 0.000 0.868 43 T HN -0.053 nan 8.240 nan 0.000 0.444 44 V N 1.629 121.513 119.914 -0.049 0.000 2.407 44 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 44 V C 2.774 178.855 176.094 -0.022 0.000 1.055 44 V CA 1.961 64.263 62.300 0.003 0.000 1.049 44 V CB -1.049 30.782 31.823 0.014 0.000 0.662 44 V HN 0.540 nan 8.190 nan 0.000 0.455 45 T N -0.213 114.335 114.554 -0.010 0.000 2.708 45 T HA -0.216 4.133 4.350 -0.001 0.000 0.266 45 T C 1.900 176.624 174.700 0.040 0.000 1.037 45 T CA 1.871 63.975 62.100 0.006 0.000 1.146 45 T CB -0.282 68.606 68.868 0.032 0.000 0.865 45 T HN 0.314 nan 8.240 nan 0.000 0.435 46 M N 0.877 120.509 119.600 0.052 0.000 2.108 46 M HA -0.104 4.376 4.480 -0.001 0.000 0.261 46 M C 2.837 179.114 176.300 -0.037 0.000 1.066 46 M CA 1.669 56.946 55.300 -0.040 0.000 1.107 46 M CB -0.549 31.937 32.600 -0.190 0.000 1.356 46 M HN 0.323 nan 8.290 nan 0.000 0.406 47 A N 0.398 123.324 122.820 0.175 0.000 1.908 47 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 47 A C 2.154 179.827 177.584 0.148 0.000 1.181 47 A CA 1.562 53.812 52.037 0.354 0.000 0.627 47 A CB -0.440 18.851 19.000 0.484 0.000 0.818 47 A HN 0.298 nan 8.150 nan 0.000 0.445 48 K N -0.339 120.008 120.400 -0.087 0.000 2.148 48 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 48 K C 1.974 178.555 176.600 -0.031 0.000 1.050 48 K CA 1.112 57.295 56.287 -0.173 0.000 0.942 48 K CB -0.784 31.563 32.500 -0.254 0.000 0.724 48 K HN 0.363 nan 8.250 nan 0.000 0.446 49 V N 1.810 121.738 119.914 0.024 0.000 2.358 49 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 49 V C 2.334 178.471 176.094 0.071 0.000 1.047 49 V CA 1.347 63.698 62.300 0.085 0.000 1.035 49 V CB -0.342 31.607 31.823 0.209 0.000 0.658 49 V HN 0.176 nan 8.190 nan 0.000 0.452 50 I N -0.060 120.509 120.570 -0.001 0.000 2.179 50 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 50 I C 2.618 178.611 176.117 -0.206 0.000 1.088 50 I CA 1.994 63.183 61.300 -0.185 0.000 1.357 50 I CB -0.395 37.275 38.000 -0.551 0.000 1.051 50 I HN 0.432 nan 8.210 nan 0.000 0.409 51 E N 1.376 121.525 120.200 -0.084 0.000 2.058 51 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 51 E C 2.272 178.967 176.600 0.158 0.000 0.997 51 E CA 1.580 58.063 56.400 0.138 0.000 0.801 51 E CB -0.055 29.803 29.700 0.264 0.000 0.746 51 E HN 0.483 nan 8.360 nan 0.000 0.450 52 A N 1.015 123.889 122.820 0.090 0.000 1.908 52 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 52 A C 2.211 179.847 177.584 0.088 0.000 1.181 52 A CA 1.320 53.406 52.037 0.081 0.000 0.627 52 A CB -0.558 18.472 19.000 0.049 0.000 0.818 52 A HN 0.331 nan 8.150 nan 0.000 0.445 53 L N -1.439 119.835 121.223 0.086 0.000 2.341 53 L HA 0.140 4.480 4.340 -0.001 0.000 0.214 53 L C 1.794 178.740 176.870 0.127 0.000 1.115 53 L CA 0.505 55.395 54.840 0.083 0.000 0.820 53 L CB -0.596 41.500 42.059 0.061 0.000 0.944 53 L HN 0.569 nan 8.230 nan 0.000 0.452 54 G N 1.390 110.318 108.800 0.213 0.000 2.258 54 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.274 54 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.274 54 G C 0.165 175.229 174.900 0.274 0.000 1.021 54 G CA 0.318 45.602 45.100 0.307 0.000 0.798 54 G HN 0.389 nan 8.290 nan 0.000 0.507 55 R N 0.436 121.111 120.500 0.293 0.000 2.664 55 R HA 0.557 4.897 4.340 -0.001 0.000 0.286 55 R C -2.180 174.323 176.300 0.339 0.000 0.967 55 R CA -2.032 54.209 56.100 0.234 0.000 0.933 55 R CB 1.757 32.142 30.300 0.143 0.000 1.146 55 R HN 0.103 nan 8.270 nan 0.000 0.468 56 P HA 0.049 nan 4.420 nan 0.000 0.268 56 P C -1.209 176.334 177.300 0.405 0.000 1.208 56 P CA -0.022 63.312 63.100 0.389 0.000 0.777 56 P CB 0.943 32.842 31.700 0.331 0.000 0.875 57 A N 2.061 125.102 122.820 0.367 0.000 2.498 57 A HA 0.665 4.984 4.320 -0.001 0.000 0.298 57 A C -1.555 176.187 177.584 0.264 0.000 1.075 57 A CA -0.678 51.518 52.037 0.264 0.000 0.714 57 A CB 1.397 20.463 19.000 0.109 0.000 1.299 57 A HN 0.499 nan 8.150 nan 0.000 0.407 58 L N 1.789 123.106 121.223 0.155 0.000 2.356 58 L HA 0.732 5.071 4.340 -0.001 0.000 0.277 58 L C -1.342 175.646 176.870 0.197 0.000 0.996 58 L CA -0.352 54.560 54.840 0.119 0.000 0.822 58 L CB 1.850 43.836 42.059 -0.122 0.000 1.256 58 L HN 0.409 nan 8.230 nan 0.000 0.413 59 V N 6.645 126.668 119.914 0.182 0.000 2.350 59 V HA 0.437 4.557 4.120 -0.001 0.000 0.285 59 V C -0.053 176.175 176.094 0.223 0.000 1.014 59 V CA -0.509 61.921 62.300 0.217 0.000 0.831 59 V CB 1.343 33.257 31.823 0.152 0.000 1.000 59 V HN 0.609 nan 8.190 nan 0.000 0.433 60 L N 4.475 125.833 121.223 0.224 0.000 2.289 60 L HA 0.847 5.187 4.340 -0.001 0.000 0.285 60 L C 0.427 177.392 176.870 0.158 0.000 1.049 60 L CA -0.253 54.700 54.840 0.188 0.000 0.804 60 L CB 1.617 43.776 42.059 0.167 0.000 1.195 60 L HN 0.715 nan 8.230 nan 0.000 0.428 61 A N 4.782 127.683 122.820 0.134 0.000 2.354 61 A HA 0.725 5.044 4.320 -0.001 0.000 0.321 61 A C -1.975 175.643 177.584 0.057 0.000 1.125 61 A CA -1.455 50.639 52.037 0.094 0.000 0.799 61 A CB 1.173 20.224 19.000 0.085 0.000 1.293 61 A HN 0.573 nan 8.150 nan 0.000 0.452 62 P HA -0.046 nan 4.420 nan 0.000 0.226 62 P C -0.266 177.024 177.300 -0.017 0.000 1.153 62 P CA 1.182 64.274 63.100 -0.014 0.000 0.777 62 P CB -0.129 31.543 31.700 -0.047 0.000 0.794 63 N N -1.601 117.095 118.700 -0.008 0.000 2.825 63 N HA 0.144 4.883 4.740 -0.001 0.000 0.253 63 N C 0.607 176.115 175.510 -0.003 0.000 1.426 63 N CA -1.014 52.020 53.050 -0.026 0.000 0.851 63 N CB 0.525 38.975 38.487 -0.061 0.000 1.470 63 N HN -0.300 nan 8.380 nan 0.000 0.517 64 K N -0.273 120.116 120.400 -0.019 0.000 2.209 64 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 64 K C 0.617 177.240 176.600 0.038 0.000 1.048 64 K CA 1.263 57.584 56.287 0.058 0.000 0.940 64 K CB -0.397 32.100 32.500 -0.006 0.000 0.729 64 K HN 0.449 nan 8.250 nan 0.000 0.451 65 I N 1.523 122.048 120.570 -0.076 0.000 2.163 65 I HA -0.192 3.978 4.170 -0.001 0.000 0.240 65 I C 2.259 178.333 176.117 -0.072 0.000 1.081 65 I CA 0.754 61.983 61.300 -0.120 0.000 1.353 65 I CB -0.511 37.358 38.000 -0.218 0.000 1.054 65 I HN 0.128 nan 8.210 nan 0.000 0.407 66 L N 0.722 121.911 121.223 -0.057 0.000 2.093 66 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 66 L C 2.480 179.325 176.870 -0.041 0.000 1.085 66 L CA 1.956 56.771 54.840 -0.040 0.000 0.755 66 L CB -1.063 40.986 42.059 -0.017 0.000 0.904 66 L HN 0.226 nan 8.230 nan 0.000 0.435 67 A N -0.405 122.401 122.820 -0.024 0.000 1.883 67 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 67 A C 2.467 179.869 177.584 -0.302 0.000 1.186 67 A CA 2.117 54.127 52.037 -0.045 0.000 0.624 67 A CB -1.246 17.824 19.000 0.117 0.000 0.822 67 A HN 0.547 nan 8.150 nan 0.000 0.444 68 A N -1.040 121.558 122.820 -0.372 0.000 1.902 68 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 68 A C 2.210 179.660 177.584 -0.223 0.000 1.181 68 A CA 1.910 53.662 52.037 -0.474 0.000 0.623 68 A CB -0.610 18.299 19.000 -0.152 0.000 0.818 68 A HN 0.682 nan 8.150 nan 0.000 0.443 69 Q N -0.420 119.305 119.800 -0.126 0.000 2.050 69 Q HA -0.133 4.207 4.340 -0.001 0.000 0.202 69 Q C 2.005 177.944 176.000 -0.100 0.000 0.980 69 Q CA 1.614 57.365 55.803 -0.086 0.000 0.840 69 Q CB -0.247 28.451 28.738 -0.068 0.000 0.898 69 Q HN 0.682 nan 8.270 nan 0.000 0.424 70 L N 0.039 121.206 121.223 -0.094 0.000 2.046 70 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 70 L C 2.590 179.466 176.870 0.010 0.000 1.077 70 L CA 0.978 55.762 54.840 -0.094 0.000 0.747 70 L CB -0.660 41.417 42.059 0.030 0.000 0.896 70 L HN 0.321 nan 8.230 nan 0.000 0.432 71 A N 0.139 122.978 122.820 0.031 0.000 1.883 71 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 71 A C 2.536 180.179 177.584 0.099 0.000 1.186 71 A CA 1.961 54.063 52.037 0.107 0.000 0.624 71 A CB -0.801 18.161 19.000 -0.064 0.000 0.822 71 A HN 0.419 nan 8.150 nan 0.000 0.444 72 A N -0.438 122.385 122.820 0.005 0.000 1.902 72 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 72 A C 1.958 179.546 177.584 0.006 0.000 1.181 72 A CA 1.701 53.746 52.037 0.014 0.000 0.623 72 A CB -0.539 18.453 19.000 -0.013 0.000 0.818 72 A HN 0.654 nan 8.150 nan 0.000 0.443 73 E N -1.034 119.126 120.200 -0.066 0.000 2.031 73 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 73 E C 1.766 178.324 176.600 -0.071 0.000 0.994 73 E CA 1.281 57.598 56.400 -0.139 0.000 0.800 73 E CB -0.326 29.191 29.700 -0.305 0.000 0.752 73 E HN 0.749 nan 8.360 nan 0.000 0.447 74 F N 0.943 120.937 119.950 0.074 0.000 2.202 74 F HA -0.158 4.368 4.527 -0.001 0.000 0.301 74 F C 2.612 178.539 175.800 0.212 0.000 1.082 74 F CA 0.788 58.897 58.000 0.183 0.000 1.313 74 F CB -0.010 39.100 39.000 0.185 0.000 1.024 74 F HN -0.094 nan 8.300 nan 0.000 0.495 75 R N 0.133 120.815 120.500 0.304 0.000 2.096 75 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 75 R C 1.989 178.374 176.300 0.143 0.000 1.127 75 R CA 1.188 57.421 56.100 0.222 0.000 0.968 75 R CB -0.252 30.140 30.300 0.153 0.000 0.861 75 R HN 0.248 nan 8.270 nan 0.000 0.440 76 E N 0.551 120.793 120.200 0.070 0.000 2.208 76 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 76 E C 2.014 178.558 176.600 -0.094 0.000 0.988 76 E CA 0.771 57.164 56.400 -0.012 0.000 0.828 76 E CB 0.094 29.769 29.700 -0.041 0.000 0.763 76 E HN 0.372 nan 8.360 nan 0.000 0.478 77 L N -0.948 120.208 121.223 -0.111 0.000 2.270 77 L HA 0.029 4.368 4.340 -0.001 0.000 0.210 77 L C 0.636 177.143 176.870 -0.606 0.000 1.104 77 L CA 0.573 55.163 54.840 -0.417 0.000 0.804 77 L CB 0.051 41.900 42.059 -0.349 0.000 0.937 77 L HN -0.030 nan 8.230 nan 0.000 0.450 78 F N -0.145 119.868 119.950 0.106 0.000 2.542 78 F HA 0.290 4.817 4.527 -0.001 0.000 0.323 78 F C -1.455 174.410 175.800 0.109 0.000 1.411 78 F CA -1.608 56.478 58.000 0.143 0.000 1.124 78 F CB 0.320 39.464 39.000 0.240 0.000 1.331 78 F HN -0.158 nan 8.300 nan 0.000 0.560 79 P HA -0.201 nan 4.420 nan 0.000 0.220 79 P C 0.524 177.899 177.300 0.125 0.000 1.144 79 P CA 1.641 64.809 63.100 0.114 0.000 0.800 79 P CB 0.363 32.090 31.700 0.046 0.000 0.772 80 E N -1.087 119.203 120.200 0.150 0.000 2.481 80 E HA 0.094 4.443 4.350 -0.001 0.000 0.198 80 E C 0.232 176.904 176.600 0.120 0.000 1.027 80 E CA -0.192 56.279 56.400 0.118 0.000 0.900 80 E CB 0.030 29.790 29.700 0.100 0.000 0.993 80 E HN 0.447 nan 8.360 nan 0.000 0.482 81 N N 0.207 119.017 118.700 0.184 0.000 2.518 81 N HA 0.458 5.197 4.740 -0.001 0.000 0.284 81 N C -0.920 174.658 175.510 0.114 0.000 1.230 81 N CA -0.647 52.478 53.050 0.125 0.000 0.941 81 N CB 1.067 39.670 38.487 0.194 0.000 1.219 81 N HN -0.059 nan 8.380 nan 0.000 0.560 82 A N 0.625 123.479 122.820 0.057 0.000 2.343 82 A HA 0.396 4.716 4.320 -0.001 0.000 0.305 82 A C -0.717 176.919 177.584 0.087 0.000 1.308 82 A CA -0.402 51.668 52.037 0.054 0.000 0.949 82 A CB -0.429 18.566 19.000 -0.007 0.000 1.148 82 A HN 0.393 nan 8.150 nan 0.000 0.545 83 V N 4.679 124.666 119.914 0.122 0.000 2.347 83 V HA 0.317 4.437 4.120 -0.001 0.000 0.280 83 V C -0.265 175.917 176.094 0.146 0.000 1.021 83 V CA -0.473 61.910 62.300 0.140 0.000 0.847 83 V CB 1.077 33.026 31.823 0.210 0.000 0.990 83 V HN 0.884 nan 8.190 nan 0.000 0.444 84 E N 3.402 123.689 120.200 0.145 0.000 2.221 84 E HA 0.397 4.747 4.350 -0.001 0.000 0.268 84 E C -1.397 175.380 176.600 0.294 0.000 0.933 84 E CA -0.786 55.724 56.400 0.183 0.000 0.809 84 E CB 2.780 32.552 29.700 0.120 0.000 1.190 84 E HN 0.537 nan 8.360 nan 0.000 0.406 85 Y N 2.024 122.411 120.300 0.144 0.000 2.555 85 Y HA 0.275 4.824 4.550 -0.001 0.000 0.326 85 Y C -1.226 174.776 175.900 0.170 0.000 0.984 85 Y CA -1.934 56.259 58.100 0.155 0.000 1.298 85 Y CB 0.023 38.557 38.460 0.124 0.000 1.094 85 Y HN 0.431 nan 8.280 nan 0.000 0.500 86 F N 7.787 127.764 119.950 0.045 0.000 2.678 86 F HA 0.260 4.786 4.527 -0.001 0.000 0.358 86 F C 0.393 176.002 175.800 -0.318 0.000 1.256 86 F CA -0.521 57.396 58.000 -0.138 0.000 1.278 86 F CB -0.549 38.419 39.000 -0.053 0.000 1.681 86 F HN 0.543 nan 8.300 nan 0.000 0.661 87 I N 1.906 121.968 120.570 -0.847 0.000 2.892 87 I HA 0.044 4.213 4.170 -0.001 0.000 0.287 87 I C 0.314 176.035 176.117 -0.659 0.000 1.205 87 I CA 0.354 61.130 61.300 -0.873 0.000 1.409 87 I CB 0.673 38.135 38.000 -0.896 0.000 1.367 87 I HN 0.373 nan 8.210 nan 0.000 0.597 88 S N 4.361 119.755 115.700 -0.510 0.000 2.513 88 S HA 0.250 4.719 4.470 -0.001 0.000 0.299 88 S C 0.442 174.764 174.600 -0.463 0.000 1.087 88 S CA -0.715 57.080 58.200 -0.676 0.000 1.012 88 S CB 1.092 63.623 63.200 -1.116 0.000 1.044 88 S HN 0.602 nan 8.310 nan 0.000 0.485 89 Y N 4.070 124.128 120.300 -0.403 0.000 2.403 89 Y HA -0.071 4.478 4.550 -0.001 0.000 0.291 89 Y C 0.890 176.811 175.900 0.036 0.000 1.143 89 Y CA 1.145 59.194 58.100 -0.085 0.000 1.257 89 Y CB -0.625 37.809 38.460 -0.042 0.000 0.984 89 Y HN 0.782 nan 8.280 nan 0.000 0.550 90 Y N -0.616 119.314 120.300 -0.616 0.000 2.471 90 Y HA 0.289 4.839 4.550 -0.001 0.000 0.321 90 Y C 0.777 176.519 175.900 -0.264 0.000 1.195 90 Y CA -0.977 56.795 58.100 -0.548 0.000 1.272 90 Y CB -0.740 37.313 38.460 -0.679 0.000 1.097 90 Y HN 0.195 nan 8.280 nan 0.000 0.507 91 D N -0.909 119.381 120.400 -0.184 0.000 2.394 91 D HA -0.008 4.631 4.640 -0.001 0.000 0.226 91 D C 0.697 176.696 176.300 -0.502 0.000 0.990 91 D CA 1.106 54.925 54.000 -0.301 0.000 0.902 91 D CB 0.156 40.802 40.800 -0.257 0.000 1.038 91 D HN 0.456 nan 8.370 nan 0.000 0.499 92 Y N -1.549 118.734 120.300 -0.029 0.000 2.441 92 Y HA 0.205 4.755 4.550 -0.000 0.000 0.266 92 Y C 0.128 175.818 175.900 -0.350 0.000 1.093 92 Y CA -0.356 57.640 58.100 -0.174 0.000 1.246 92 Y CB 0.459 38.770 38.460 -0.249 0.000 1.262 92 Y HN -0.182 nan 8.280 nan 0.000 0.518 93 Y N 0.398 120.794 120.300 0.160 0.000 2.602 93 Y HA 0.525 5.074 4.550 -0.001 0.000 0.330 93 Y C 0.170 176.134 175.900 0.108 0.000 1.114 93 Y CA -1.738 56.446 58.100 0.139 0.000 1.182 93 Y CB 0.810 39.382 38.460 0.187 0.000 1.305 93 Y HN -0.274 nan 8.280 nan 0.000 0.502 94 Q N 4.118 124.075 119.800 0.262 0.000 2.267 94 Q HA 0.355 4.694 4.340 -0.001 0.000 0.255 94 Q C -2.732 173.386 176.000 0.197 0.000 0.923 94 Q CA -2.186 53.699 55.803 0.137 0.000 0.925 94 Q CB 1.095 29.864 28.738 0.052 0.000 1.195 94 Q HN 0.242 nan 8.270 nan 0.000 0.417 95 P HA 0.120 nan 4.420 nan 0.000 0.280 95 P C -0.969 176.341 177.300 0.017 0.000 1.272 95 P CA -0.518 62.699 63.100 0.196 0.000 0.819 95 P CB 0.805 32.512 31.700 0.011 0.000 1.122 96 E N 0.149 120.350 120.200 0.003 0.000 2.373 96 E HA 0.434 4.783 4.350 -0.001 0.000 0.267 96 E C -1.014 175.489 176.600 -0.161 0.000 1.032 96 E CA -0.426 55.901 56.400 -0.121 0.000 0.889 96 E CB 0.232 29.918 29.700 -0.023 0.000 0.984 96 E HN 0.563 nan 8.360 nan 0.000 0.425 97 A N 3.662 126.299 122.820 -0.306 0.000 2.601 97 A HA 0.489 4.809 4.320 -0.001 0.000 0.291 97 A C -2.165 175.257 177.584 -0.269 0.000 1.075 97 A CA -0.639 51.261 52.037 -0.228 0.000 0.671 97 A CB 1.186 20.070 19.000 -0.192 0.000 1.277 97 A HN 0.623 nan 8.150 nan 0.000 0.417 98 Y N 0.154 120.265 120.300 -0.314 0.000 2.396 98 Y HA 0.559 5.109 4.550 -0.001 0.000 0.332 98 Y C -1.332 174.420 175.900 -0.246 0.000 1.034 98 Y CA -0.840 57.061 58.100 -0.333 0.000 1.057 98 Y CB 2.049 40.257 38.460 -0.420 0.000 1.220 98 Y HN 1.101 nan 8.280 nan 0.000 0.440 99 V N 9.957 129.334 119.914 -0.895 0.000 2.313 99 V HA 0.436 4.556 4.120 -0.001 0.000 0.278 99 V C -2.213 173.292 176.094 -0.981 0.000 1.017 99 V CA -2.376 59.506 62.300 -0.697 0.000 0.823 99 V CB 1.642 33.230 31.823 -0.391 0.000 1.010 99 V HN 0.790 nan 8.190 nan 0.000 0.443 100 P HA -0.086 nan 4.420 nan 0.000 0.216 100 P C 1.683 178.809 177.300 -0.290 0.000 1.153 100 P CA 1.964 64.719 63.100 -0.574 0.000 0.858 100 P CB 0.071 31.631 31.700 -0.234 0.000 0.789 101 G N 1.141 109.809 108.800 -0.219 0.000 2.624 101 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.221 101 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.221 101 G C 1.048 175.881 174.900 -0.113 0.000 1.169 101 G CA 1.504 46.529 45.100 -0.125 0.000 0.771 101 G HN 0.422 nan 8.290 nan 0.000 0.598 102 K N -0.319 119.981 120.400 -0.167 0.000 2.564 102 K HA 0.231 4.550 4.320 -0.001 0.000 0.205 102 K C 0.396 176.933 176.600 -0.105 0.000 1.053 102 K CA 0.444 56.665 56.287 -0.110 0.000 1.072 102 K CB 0.620 33.064 32.500 -0.094 0.000 0.822 102 K HN 0.066 nan 8.250 nan 0.000 0.497 103 D N 1.310 121.615 120.400 -0.158 0.000 3.059 103 D HA -0.209 4.430 4.640 -0.001 0.000 0.222 103 D C -0.395 175.953 176.300 0.080 0.000 1.185 103 D CA 0.582 54.582 54.000 0.000 0.000 0.904 103 D CB -0.574 40.308 40.800 0.137 0.000 1.122 103 D HN 0.536 nan 8.370 nan 0.000 0.410 104 L N 1.001 122.148 121.223 -0.127 0.000 2.319 104 L HA 0.278 4.617 4.340 -0.001 0.000 0.280 104 L C -0.329 176.545 176.870 0.007 0.000 1.099 104 L CA -0.612 54.212 54.840 -0.028 0.000 0.828 104 L CB 0.506 42.510 42.059 -0.091 0.000 1.150 104 L HN 0.098 nan 8.230 nan 0.000 0.442 105 Y N 6.159 126.490 120.300 0.051 0.000 2.342 105 Y HA 0.534 5.083 4.550 -0.001 0.000 0.334 105 Y C -0.560 175.289 175.900 -0.086 0.000 1.067 105 Y CA -0.713 57.361 58.100 -0.044 0.000 1.128 105 Y CB 1.174 39.581 38.460 -0.089 0.000 1.200 105 Y HN 0.490 nan 8.280 nan 0.000 0.464 106 I N 6.250 126.275 120.570 -0.907 0.000 2.382 106 I HA 0.259 4.428 4.170 -0.001 0.000 0.286 106 I C -0.418 175.152 176.117 -0.912 0.000 1.002 106 I CA -0.718 60.169 61.300 -0.689 0.000 1.135 106 I CB 1.547 39.323 38.000 -0.374 0.000 1.288 106 I HN 0.634 nan 8.210 nan 0.000 0.448 107 E N 5.426 125.290 120.200 -0.560 0.000 2.366 107 E HA 0.159 4.509 4.350 -0.001 0.000 0.266 107 E C -0.324 176.187 176.600 -0.149 0.000 1.051 107 E CA -0.646 55.585 56.400 -0.281 0.000 0.884 107 E CB 1.223 30.909 29.700 -0.023 0.000 1.006 107 E HN 0.482 nan 8.360 nan 0.000 0.417 108 K N 2.206 122.561 120.400 -0.076 0.000 2.258 108 K HA 0.103 4.422 4.320 -0.001 0.000 0.264 108 K C -0.450 176.139 176.600 -0.018 0.000 1.007 108 K CA -0.505 55.772 56.287 -0.016 0.000 0.941 108 K CB 0.575 33.063 32.500 -0.021 0.000 0.966 108 K HN 0.175 nan 8.250 nan 0.000 0.480 109 D N 1.027 121.446 120.400 0.031 0.000 2.414 109 D HA 0.127 4.767 4.640 -0.001 0.000 0.242 109 D C -0.179 176.067 176.300 -0.090 0.000 1.129 109 D CA 0.278 54.291 54.000 0.023 0.000 0.885 109 D CB 1.242 42.150 40.800 0.179 0.000 1.198 109 D HN 0.698 nan 8.370 nan 0.000 0.437 110 A N 0.707 123.481 122.820 -0.077 0.000 2.313 110 A HA 0.505 4.825 4.320 -0.001 0.000 0.323 110 A C 0.477 177.986 177.584 -0.124 0.000 1.133 110 A CA -0.567 51.404 52.037 -0.109 0.000 0.847 110 A CB 0.907 19.871 19.000 -0.059 0.000 1.308 110 A HN 0.490 nan 8.150 nan 0.000 0.475 111 S N -0.741 114.882 115.700 -0.128 0.000 3.559 111 S HA -0.181 4.289 4.470 -0.001 0.000 0.369 111 S C 0.375 174.877 174.600 -0.163 0.000 0.987 111 S CA 0.975 59.105 58.200 -0.117 0.000 1.187 111 S CB -2.316 60.845 63.200 -0.064 0.000 0.914 111 S HN 1.371 nan 8.310 nan 0.000 0.480 112 I N -1.336 119.057 120.570 -0.295 0.000 3.060 112 I HA 0.251 4.421 4.170 -0.001 0.000 0.285 112 I C 0.859 176.826 176.117 -0.249 0.000 1.190 112 I CA -0.582 60.426 61.300 -0.488 0.000 1.363 112 I CB 0.431 37.907 38.000 -0.874 0.000 1.396 112 I HN 0.184 nan 8.210 nan 0.000 0.607 113 N N 5.205 123.826 118.700 -0.132 0.000 2.359 113 N HA 0.008 4.747 4.740 -0.001 0.000 0.261 113 N C -1.384 174.077 175.510 -0.082 0.000 1.267 113 N CA -1.107 51.926 53.050 -0.029 0.000 0.864 113 N CB 0.768 39.297 38.487 0.069 0.000 1.063 113 N HN 0.515 nan 8.380 nan 0.000 0.474 114 P HA -0.149 nan 4.420 nan 0.000 0.221 114 P C 0.758 178.011 177.300 -0.078 0.000 1.145 114 P CA 0.898 63.936 63.100 -0.104 0.000 0.795 114 P CB 0.482 32.110 31.700 -0.121 0.000 0.775 115 E N -0.089 120.079 120.200 -0.053 0.000 2.110 115 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 115 E C 2.113 178.680 176.600 -0.055 0.000 0.988 115 E CA 0.672 57.050 56.400 -0.037 0.000 0.804 115 E CB -0.519 29.162 29.700 -0.031 0.000 0.745 115 E HN 0.204 nan 8.360 nan 0.000 0.458 116 I N 1.516 122.042 120.570 -0.073 0.000 2.052 116 I HA -0.271 3.898 4.170 -0.001 0.000 0.235 116 I C 2.162 178.208 176.117 -0.118 0.000 1.046 116 I CA 1.441 62.678 61.300 -0.104 0.000 1.308 116 I CB -1.310 36.645 38.000 -0.076 0.000 1.031 116 I HN 0.122 nan 8.210 nan 0.000 0.395 117 E N 0.181 120.333 120.200 -0.079 0.000 2.153 117 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 117 E C 2.225 178.876 176.600 0.085 0.000 0.988 117 E CA 0.574 56.966 56.400 -0.015 0.000 0.811 117 E CB -0.384 29.336 29.700 0.034 0.000 0.746 117 E HN 0.377 nan 8.360 nan 0.000 0.466 118 R N 0.616 121.141 120.500 0.041 0.000 2.073 118 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 118 R C 2.528 178.898 176.300 0.117 0.000 1.134 118 R CA 0.955 57.105 56.100 0.084 0.000 0.952 118 R CB -0.394 29.921 30.300 0.025 0.000 0.850 118 R HN 0.181 nan 8.270 nan 0.000 0.433 119 L N 0.050 121.295 121.223 0.036 0.000 2.083 119 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 119 L C 2.719 179.608 176.870 0.032 0.000 1.083 119 L CA 1.422 56.280 54.840 0.030 0.000 0.752 119 L CB -0.316 41.708 42.059 -0.058 0.000 0.899 119 L HN 0.188 nan 8.230 nan 0.000 0.433 120 R N -1.385 119.074 120.500 -0.068 0.000 2.075 120 R HA -0.116 4.223 4.340 -0.001 0.000 0.232 120 R C 2.326 178.706 176.300 0.134 0.000 1.126 120 R CA 0.946 56.997 56.100 -0.081 0.000 0.963 120 R CB -0.359 29.714 30.300 -0.378 0.000 0.858 120 R HN 0.416 nan 8.270 nan 0.000 0.435 121 H N -0.525 118.688 119.070 0.238 0.000 2.395 121 H HA 0.001 4.557 4.556 -0.000 0.000 0.299 121 H C 2.227 177.712 175.328 0.261 0.000 1.070 121 H CA 1.377 57.608 56.048 0.304 0.000 1.356 121 H CB -0.053 29.864 29.762 0.259 0.000 1.401 121 H HN 0.138 nan 8.280 nan 0.000 0.524 122 S N -0.031 115.858 115.700 0.316 0.000 2.399 122 S HA -0.134 4.336 4.470 -0.001 0.000 0.231 122 S C 2.080 176.715 174.600 0.058 0.000 1.022 122 S CA 1.700 60.007 58.200 0.178 0.000 0.983 122 S CB -0.165 63.136 63.200 0.168 0.000 0.803 122 S HN 0.408 nan 8.310 nan 0.000 0.480 123 T N 1.483 116.090 114.554 0.088 0.000 2.701 123 T HA -0.094 4.256 4.350 -0.001 0.000 0.263 123 T C 2.177 176.785 174.700 -0.155 0.000 1.040 123 T CA 2.018 64.117 62.100 -0.002 0.000 1.147 123 T CB -1.014 67.929 68.868 0.126 0.000 0.865 123 T HN 0.817 nan 8.240 nan 0.000 0.426 124 T N 0.979 115.445 114.554 -0.146 0.000 2.867 124 T HA -0.044 4.306 4.350 -0.001 0.000 0.268 124 T C 1.972 176.643 174.700 -0.049 0.000 1.057 124 T CA 0.787 62.757 62.100 -0.216 0.000 1.136 124 T CB -0.211 68.402 68.868 -0.425 0.000 0.874 124 T HN 0.252 nan 8.240 nan 0.000 0.466 125 R N 1.197 121.652 120.500 -0.075 0.000 2.070 125 R HA -0.079 4.261 4.340 -0.001 0.000 0.233 125 R C 2.595 178.636 176.300 -0.433 0.000 1.137 125 R CA 1.827 57.657 56.100 -0.450 0.000 0.945 125 R CB -0.713 29.161 30.300 -0.709 0.000 0.845 125 R HN 0.411 nan 8.270 nan 0.000 0.430 126 S N 1.326 116.854 115.700 -0.288 0.000 2.359 126 S HA -0.128 4.342 4.470 -0.001 0.000 0.224 126 S C 1.953 176.423 174.600 -0.217 0.000 1.035 126 S CA 1.369 59.436 58.200 -0.222 0.000 1.018 126 S CB -0.276 62.834 63.200 -0.149 0.000 0.876 126 S HN 0.321 nan 8.310 nan 0.000 0.448 127 L N 0.739 121.809 121.223 -0.255 0.000 2.187 127 L HA -0.059 4.281 4.340 -0.001 0.000 0.213 127 L C 1.586 178.345 176.870 -0.185 0.000 1.100 127 L CA 0.953 55.612 54.840 -0.302 0.000 0.765 127 L CB -0.379 41.391 42.059 -0.483 0.000 0.904 127 L HN 0.309 nan 8.230 nan 0.000 0.437 128 L N -1.153 119.987 121.223 -0.139 0.000 2.640 128 L HA 0.063 4.402 4.340 -0.001 0.000 0.230 128 L C 1.637 178.482 176.870 -0.040 0.000 1.123 128 L CA 0.523 55.334 54.840 -0.048 0.000 0.900 128 L CB -0.117 41.984 42.059 0.069 0.000 1.146 128 L HN 0.336 nan 8.230 nan 0.000 0.484 129 T N -4.342 110.149 114.554 -0.105 0.000 3.009 129 T HA 0.300 4.650 4.350 -0.001 0.000 0.267 129 T C 0.701 175.363 174.700 -0.063 0.000 0.942 129 T CA -0.381 61.685 62.100 -0.057 0.000 0.883 129 T CB 0.588 69.402 68.868 -0.090 0.000 1.192 129 T HN 0.090 nan 8.240 nan 0.000 0.524 130 R N -0.370 120.074 120.500 -0.093 0.000 2.799 130 R HA 0.646 4.985 4.340 -0.001 0.000 0.270 130 R C 0.152 176.387 176.300 -0.109 0.000 1.010 130 R CA -0.985 55.056 56.100 -0.098 0.000 0.916 130 R CB 1.634 31.867 30.300 -0.112 0.000 1.228 130 R HN -0.156 nan 8.270 nan 0.000 0.469 131 R N 0.520 120.942 120.500 -0.130 0.000 2.279 131 R HA 0.007 4.347 4.340 -0.001 0.000 0.195 131 R C -0.246 175.908 176.300 -0.244 0.000 0.905 131 R CA 0.350 56.375 56.100 -0.124 0.000 1.044 131 R CB 0.385 30.625 30.300 -0.099 0.000 1.056 131 R HN 0.654 nan 8.270 nan 0.000 0.535 132 D N 1.677 121.833 120.400 -0.407 0.000 2.801 132 D HA 0.047 4.687 4.640 -0.001 0.000 0.232 132 D C -0.347 175.745 176.300 -0.346 0.000 1.128 132 D CA 0.081 53.569 54.000 -0.853 0.000 1.003 132 D CB 0.156 40.517 40.800 -0.731 0.000 1.110 132 D HN -0.207 nan 8.370 nan 0.000 0.477 133 V N 0.984 120.870 119.914 -0.046 0.000 2.540 133 V HA 0.420 4.540 4.120 -0.001 0.000 0.302 133 V C 0.203 176.418 176.094 0.201 0.000 1.035 133 V CA -0.895 61.453 62.300 0.080 0.000 0.873 133 V CB 2.127 33.926 31.823 -0.039 0.000 0.992 133 V HN 0.232 nan 8.190 nan 0.000 0.428 134 I N 4.495 125.121 120.570 0.095 0.000 2.410 134 I HA 0.486 4.656 4.170 -0.001 0.000 0.286 134 I C -0.792 175.345 176.117 0.033 0.000 1.009 134 I CA -0.747 60.528 61.300 -0.043 0.000 1.111 134 I CB 2.086 39.863 38.000 -0.371 0.000 1.262 134 I HN 0.295 nan 8.210 nan 0.000 0.443 135 V N 7.232 127.229 119.914 0.139 0.000 2.398 135 V HA 0.436 4.555 4.120 -0.001 0.000 0.286 135 V C 0.017 176.239 176.094 0.214 0.000 1.026 135 V CA -0.675 61.748 62.300 0.205 0.000 0.868 135 V CB 1.967 33.974 31.823 0.307 0.000 0.982 135 V HN 0.376 nan 8.190 nan 0.000 0.443 136 V N 3.705 123.774 119.914 0.258 0.000 2.581 136 V HA 0.977 5.096 4.120 -0.001 0.000 0.303 136 V C 0.232 176.565 176.094 0.397 0.000 1.041 136 V CA -0.169 62.300 62.300 0.282 0.000 0.907 136 V CB 1.553 33.527 31.823 0.252 0.000 0.994 136 V HN 1.130 nan 8.190 nan 0.000 0.442 137 A N 2.675 125.702 122.820 0.344 0.000 2.608 137 A HA 0.755 5.075 4.320 -0.001 0.000 0.292 137 A C -0.573 177.172 177.584 0.268 0.000 1.066 137 A CA -0.406 51.854 52.037 0.372 0.000 0.676 137 A CB 1.697 20.915 19.000 0.363 0.000 1.277 137 A HN 0.712 nan 8.150 nan 0.000 0.413 138 S N -0.576 115.263 115.700 0.232 0.000 2.617 138 S HA 0.373 4.842 4.470 -0.001 0.000 0.269 138 S C 1.365 176.046 174.600 0.134 0.000 1.292 138 S CA 0.022 58.310 58.200 0.147 0.000 1.010 138 S CB 0.952 64.210 63.200 0.097 0.000 0.944 138 S HN 1.136 nan 8.310 nan 0.000 0.536 139 V N 3.558 123.527 119.914 0.092 0.000 2.332 139 V HA -0.162 3.958 4.120 -0.001 0.000 0.248 139 V C 2.633 178.801 176.094 0.124 0.000 1.055 139 V CA 2.335 64.680 62.300 0.074 0.000 1.038 139 V CB -1.213 30.615 31.823 0.008 0.000 0.651 139 V HN 1.019 nan 8.190 nan 0.000 0.450 140 S N 1.112 116.895 115.700 0.138 0.000 2.440 140 S HA -0.175 4.295 4.470 -0.001 0.000 0.238 140 S C 2.010 176.831 174.600 0.369 0.000 1.010 140 S CA 1.260 59.614 58.200 0.257 0.000 0.972 140 S CB -0.577 62.778 63.200 0.259 0.000 0.774 140 S HN 0.613 nan 8.310 nan 0.000 0.501 141 A N 1.425 124.368 122.820 0.205 0.000 2.070 141 A HA 0.193 4.512 4.320 -0.001 0.000 0.220 141 A C 0.998 178.816 177.584 0.390 0.000 1.159 141 A CA 0.529 52.694 52.037 0.213 0.000 0.656 141 A CB -0.568 18.579 19.000 0.245 0.000 0.800 141 A HN 0.518 nan 8.150 nan 0.000 0.453 142 I N 0.309 121.086 120.570 0.345 0.000 2.372 142 I HA 0.258 4.428 4.170 -0.001 0.000 0.298 142 I C -0.363 176.003 176.117 0.415 0.000 1.137 142 I CA 0.227 61.728 61.300 0.336 0.000 1.314 142 I CB -1.733 36.431 38.000 0.274 0.000 1.444 142 I HN 0.308 nan 8.210 nan 0.000 0.541 143 Y N 3.216 123.674 120.300 0.263 0.000 2.644 143 Y HA 0.639 5.189 4.550 -0.001 0.000 0.338 143 Y C 0.855 176.890 175.900 0.224 0.000 1.119 143 Y CA -0.916 57.327 58.100 0.239 0.000 1.060 143 Y CB 1.816 40.459 38.460 0.304 0.000 1.294 143 Y HN 0.547 nan 8.280 nan 0.000 0.472 144 G N 2.339 111.154 108.800 0.025 0.000 2.391 144 G HA2 0.345 4.304 3.960 -0.001 0.000 0.234 144 G HA3 0.345 4.304 3.960 -0.001 0.000 0.234 144 G C -1.417 173.674 174.900 0.319 0.000 1.284 144 G CA 0.218 45.403 45.100 0.142 0.000 0.873 144 G HN 0.549 nan 8.290 nan 0.000 0.549 145 L N 1.401 122.766 121.223 0.236 0.000 2.409 145 L HA 0.790 5.130 4.340 -0.001 0.000 0.255 145 L C 0.764 177.661 176.870 0.046 0.000 1.027 145 L CA -0.226 54.657 54.840 0.072 0.000 0.834 145 L CB 1.656 43.703 42.059 -0.020 0.000 1.426 145 L HN 0.793 nan 8.230 nan 0.000 0.411 146 G N 0.229 108.875 108.800 -0.255 0.000 2.699 146 G HA2 0.089 4.049 3.960 -0.001 0.000 0.246 146 G HA3 0.089 4.049 3.960 -0.001 0.000 0.246 146 G C -0.553 174.391 174.900 0.073 0.000 1.219 146 G CA -0.290 44.779 45.100 -0.050 0.000 0.866 146 G HN 0.723 nan 8.290 nan 0.000 0.572 147 D N 0.741 121.146 120.400 0.009 0.000 2.401 147 D HA 0.062 4.701 4.640 -0.001 0.000 0.254 147 D C -0.806 175.264 176.300 -0.383 0.000 1.192 147 D CA -1.578 52.168 54.000 -0.423 0.000 0.885 147 D CB 1.678 42.337 40.800 -0.235 0.000 1.147 147 D HN 0.043 nan 8.370 nan 0.000 0.478 148 P HA -0.111 nan 4.420 nan 0.000 0.221 148 P C 1.080 178.194 177.300 -0.310 0.000 1.150 148 P CA 0.689 63.308 63.100 -0.802 0.000 0.800 148 P CB 0.579 31.547 31.700 -1.219 0.000 0.787 149 R N 0.219 120.549 120.500 -0.284 0.000 2.073 149 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 149 R C 2.522 178.803 176.300 -0.031 0.000 1.134 149 R CA 1.345 57.368 56.100 -0.128 0.000 0.952 149 R CB -0.958 29.274 30.300 -0.114 0.000 0.850 149 R HN 0.162 nan 8.270 nan 0.000 0.433 150 E N -0.400 119.798 120.200 -0.003 0.000 2.051 150 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 150 E C 1.878 178.552 176.600 0.124 0.000 0.991 150 E CA 1.161 57.600 56.400 0.065 0.000 0.799 150 E CB -0.553 29.209 29.700 0.105 0.000 0.748 150 E HN 0.364 nan 8.360 nan 0.000 0.449 151 Y N 1.916 122.257 120.300 0.068 0.000 2.151 151 Y HA -0.285 4.265 4.550 -0.001 0.000 0.284 151 Y C 2.581 178.598 175.900 0.195 0.000 1.166 151 Y CA 2.425 60.633 58.100 0.181 0.000 1.163 151 Y CB -0.058 38.570 38.460 0.280 0.000 0.974 151 Y HN -0.044 nan 8.280 nan 0.000 0.511 152 R N 0.129 120.736 120.500 0.177 0.000 2.057 152 R HA -0.066 4.273 4.340 -0.001 0.000 0.229 152 R C 2.232 178.523 176.300 -0.016 0.000 1.136 152 R CA 1.272 57.440 56.100 0.113 0.000 0.952 152 R CB -0.685 29.670 30.300 0.092 0.000 0.848 152 R HN 0.329 nan 8.270 nan 0.000 0.430 153 A N 1.103 123.912 122.820 -0.019 0.000 2.216 153 A HA -0.017 4.302 4.320 -0.001 0.000 0.214 153 A C 0.549 178.086 177.584 -0.078 0.000 1.160 153 A CA 0.500 52.509 52.037 -0.047 0.000 0.725 153 A CB -0.152 18.832 19.000 -0.025 0.000 0.784 153 A HN 0.294 nan 8.150 nan 0.000 0.472 154 R N 1.703 122.147 120.500 -0.094 0.000 2.575 154 R HA 0.243 4.583 4.340 -0.001 0.000 0.281 154 R C -0.775 175.399 176.300 -0.210 0.000 1.272 154 R CA -0.322 55.714 56.100 -0.106 0.000 1.417 154 R CB 0.338 30.618 30.300 -0.033 0.000 1.121 154 R HN 0.633 nan 8.270 nan 0.000 0.583 155 N N 2.146 120.686 118.700 -0.267 0.000 2.577 155 N HA 0.405 5.145 4.740 -0.001 0.000 0.285 155 N C -1.114 174.249 175.510 -0.245 0.000 1.309 155 N CA -0.843 51.972 53.050 -0.391 0.000 0.798 155 N CB 2.103 40.190 38.487 -0.667 0.000 1.463 155 N HN 0.195 nan 8.380 nan 0.000 0.518 156 L N 1.087 122.179 121.223 -0.219 0.000 2.406 156 L HA 0.401 4.741 4.340 -0.001 0.000 0.270 156 L C -0.738 176.059 176.870 -0.121 0.000 0.982 156 L CA -0.915 53.840 54.840 -0.141 0.000 0.843 156 L CB 1.347 43.339 42.059 -0.113 0.000 1.225 156 L HN 0.561 nan 8.230 nan 0.000 0.412 157 V N 4.538 124.366 119.914 -0.144 0.000 2.567 157 V HA 0.693 4.812 4.120 -0.001 0.000 0.289 157 V C -0.545 175.406 176.094 -0.239 0.000 1.049 157 V CA 0.008 62.208 62.300 -0.167 0.000 0.969 157 V CB 1.751 33.492 31.823 -0.137 0.000 0.995 157 V HN 0.551 nan 8.190 nan 0.000 0.471 167 E N 0.436 120.629 120.200 -0.012 0.000 2.452 167 E HA -0.149 4.201 4.350 -0.001 0.000 0.155 167 E C -0.661 175.934 176.600 -0.008 0.000 1.746 167 E CA 1.483 57.881 56.400 -0.004 0.000 0.636 167 E CB -0.847 28.854 29.700 0.002 0.000 1.069 167 E HN 0.490 nan 8.360 nan 0.000 0.335 168 V N 2.118 122.023 119.914 -0.014 0.000 4.842 168 V HA -0.065 4.054 4.120 -0.001 0.000 0.545 168 V C 0.074 176.150 176.094 -0.031 0.000 2.089 168 V CA 0.336 62.626 62.300 -0.018 0.000 2.520 168 V CB -0.070 31.740 31.823 -0.022 0.000 1.014 168 V HN 0.368 nan 8.190 nan 0.000 0.396 169 L N 2.132 123.334 121.223 -0.035 0.000 2.480 169 L HA 0.481 4.821 4.340 -0.001 0.000 0.243 169 L C 0.441 177.281 176.870 -0.051 0.000 1.315 169 L CA 0.648 55.456 54.840 -0.054 0.000 1.231 169 L CB 0.442 42.471 42.059 -0.050 0.000 1.444 169 L HN 0.396 nan 8.230 nan 0.000 0.409 170 L N -0.004 121.186 121.223 -0.055 0.000 4.931 170 L HA 0.016 4.356 4.340 -0.001 0.000 0.503 170 L C 0.965 177.818 176.870 -0.029 0.000 0.912 170 L CA 0.262 55.079 54.840 -0.040 0.000 1.950 170 L CB 0.373 42.463 42.059 0.051 0.000 1.595 170 L HN 0.399 nan 8.230 nan 0.000 0.561 171 E N -0.601 119.570 120.200 -0.049 0.000 2.474 171 E HA 0.121 4.471 4.350 -0.001 0.000 0.215 171 E C 1.526 178.091 176.600 -0.057 0.000 0.867 171 E CA -0.209 56.173 56.400 -0.029 0.000 1.135 171 E CB 0.503 30.194 29.700 -0.016 0.000 1.147 171 E HN 0.385 nan 8.360 nan 0.000 0.534 172 R N 0.485 120.932 120.500 -0.088 0.000 2.052 172 R HA 0.081 4.420 4.340 -0.001 0.000 0.226 172 R C 2.447 178.655 176.300 -0.155 0.000 1.145 172 R CA 0.947 56.986 56.100 -0.102 0.000 0.952 172 R CB -0.445 29.789 30.300 -0.110 0.000 0.847 172 R HN 0.094 nan 8.270 nan 0.000 0.431 173 L N 0.880 121.946 121.223 -0.262 0.000 2.151 173 L HA -0.298 4.041 4.340 -0.001 0.000 0.219 173 L C 2.076 178.750 176.870 -0.327 0.000 1.083 173 L CA 1.495 56.059 54.840 -0.460 0.000 0.782 173 L CB -0.330 41.265 42.059 -0.772 0.000 0.891 173 L HN 0.169 nan 8.230 nan 0.000 0.439 174 L N -1.103 119.991 121.223 -0.215 0.000 2.168 174 L HA -0.105 4.234 4.340 -0.001 0.000 0.203 174 L C 2.200 179.082 176.870 0.020 0.000 1.078 174 L CA 1.167 55.976 54.840 -0.052 0.000 0.780 174 L CB -0.627 41.442 42.059 0.017 0.000 0.939 174 L HN 0.323 nan 8.230 nan 0.000 0.451 175 E N 0.192 120.393 120.200 0.000 0.000 2.461 175 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 175 E C 1.149 177.779 176.600 0.049 0.000 1.129 175 E CA 0.492 56.908 56.400 0.027 0.000 0.902 175 E CB -0.224 29.481 29.700 0.008 0.000 0.963 175 E HN 0.514 nan 8.360 nan 0.000 0.503 176 L N -0.663 120.609 121.223 0.081 0.000 2.858 176 L HA 0.349 4.689 4.340 -0.001 0.000 0.251 176 L C 1.281 178.257 176.870 0.176 0.000 1.149 176 L CA 0.247 55.175 54.840 0.146 0.000 0.955 176 L CB 0.727 42.895 42.059 0.181 0.000 1.289 176 L HN 0.456 nan 8.230 nan 0.000 0.542 177 G N -0.809 108.069 108.800 0.130 0.000 2.194 177 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.236 177 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.236 177 G C -0.013 174.867 174.900 -0.033 0.000 0.987 177 G CA -0.442 44.684 45.100 0.043 0.000 0.635 177 G HN 0.163 nan 8.290 nan 0.000 0.520 178 Y N 2.029 122.294 120.300 -0.059 0.000 2.497 178 Y HA 0.473 5.022 4.550 -0.001 0.000 0.334 178 Y C 1.248 177.243 175.900 0.159 0.000 1.199 178 Y CA 0.316 58.398 58.100 -0.031 0.000 1.425 178 Y CB 0.525 38.861 38.460 -0.206 0.000 1.291 178 Y HN 0.343 nan 8.280 nan 0.000 0.562 179 Q N 2.690 122.730 119.800 0.400 0.000 2.301 179 Q HA 0.499 4.839 4.340 -0.001 0.000 0.267 179 Q C -0.495 175.733 176.000 0.380 0.000 1.035 179 Q CA -1.364 54.683 55.803 0.408 0.000 0.856 179 Q CB 1.888 30.715 28.738 0.147 0.000 1.337 179 Q HN 0.421 nan 8.270 nan 0.000 0.450 180 R N 2.073 122.592 120.500 0.032 0.000 2.441 180 R HA 0.295 4.635 4.340 -0.001 0.000 0.284 180 R C -0.436 175.717 176.300 -0.245 0.000 1.070 180 R CA 0.059 55.846 56.100 -0.521 0.000 1.047 180 R CB 0.346 30.385 30.300 -0.434 0.000 1.016 180 R HN 0.718 nan 8.270 nan 0.000 0.477 181 N N 2.341 120.881 118.700 -0.267 0.000 3.866 181 N HA -0.036 4.704 4.740 -0.001 0.000 0.151 181 N C -0.701 174.743 175.510 -0.109 0.000 1.455 181 N CA -0.072 52.900 53.050 -0.129 0.000 1.007 181 N CB 0.347 38.797 38.487 -0.061 0.000 1.739 181 N HN 0.439 nan 8.380 nan 0.000 0.709 182 D N 1.384 121.709 120.400 -0.125 0.000 2.263 182 D HA -0.094 4.546 4.640 -0.001 0.000 0.208 182 D C 2.074 178.348 176.300 -0.044 0.000 0.971 182 D CA 0.582 54.532 54.000 -0.084 0.000 0.867 182 D CB 0.821 41.571 40.800 -0.084 0.000 0.929 182 D HN 0.506 nan 8.370 nan 0.000 0.492 183 I N 1.328 121.874 120.570 -0.040 0.000 2.062 183 I HA -0.144 4.025 4.170 -0.001 0.000 0.216 183 I C 0.803 176.914 176.117 -0.009 0.000 1.036 183 I CA 1.246 62.533 61.300 -0.022 0.000 1.339 183 I CB -1.167 36.821 38.000 -0.021 0.000 1.093 183 I HN -0.116 nan 8.210 nan 0.000 0.389 184 D N 1.238 121.636 120.400 -0.003 0.000 2.163 184 D HA 0.440 5.080 4.640 -0.001 0.000 0.248 184 D C -0.502 175.816 176.300 0.030 0.000 1.035 184 D CA -0.460 53.548 54.000 0.013 0.000 0.872 184 D CB 2.613 43.419 40.800 0.010 0.000 1.183 184 D HN -0.076 nan 8.370 nan 0.000 0.445 185 L N 1.144 122.407 121.223 0.068 0.000 2.325 185 L HA 0.419 4.759 4.340 -0.001 0.000 0.279 185 L C -0.491 176.469 176.870 0.149 0.000 1.054 185 L CA 0.072 54.993 54.840 0.134 0.000 0.804 185 L CB 1.444 43.618 42.059 0.192 0.000 1.200 185 L HN 0.245 nan 8.230 nan 0.000 0.436 186 S N 3.856 119.616 115.700 0.099 0.000 2.569 186 S HA 0.588 5.058 4.470 -0.001 0.000 0.280 186 S C -2.860 171.459 174.600 -0.469 0.000 1.111 186 S CA -0.966 57.161 58.200 -0.121 0.000 0.887 186 S CB 2.140 65.274 63.200 -0.109 0.000 1.095 186 S HN 0.549 nan 8.310 nan 0.000 0.476 187 P HA 0.223 nan 4.420 nan 0.000 0.264 187 P C 0.512 177.485 177.300 -0.544 0.000 1.229 187 P CA 0.746 63.121 63.100 -1.209 0.000 0.780 187 P CB -0.117 31.021 31.700 -0.936 0.000 0.808 188 G N 2.821 111.417 108.800 -0.339 0.000 2.151 188 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.156 188 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.156 188 G C -0.148 174.705 174.900 -0.077 0.000 1.017 188 G CA -0.660 44.202 45.100 -0.397 0.000 0.686 188 G HN 0.558 nan 8.290 nan 0.000 0.503 189 R N -0.377 120.247 120.500 0.207 0.000 2.744 189 R HA 0.702 5.041 4.340 -0.001 0.000 0.279 189 R C -0.268 176.333 176.300 0.502 0.000 0.977 189 R CA -0.831 55.477 56.100 0.348 0.000 0.906 189 R CB 1.305 31.697 30.300 0.153 0.000 1.197 189 R HN 0.455 nan 8.270 nan 0.000 0.463 190 F N -0.795 119.245 119.950 0.149 0.000 2.522 190 F HA 0.705 5.231 4.527 -0.001 0.000 0.324 190 F C 0.093 175.930 175.800 0.062 0.000 1.077 190 F CA -1.356 56.701 58.000 0.095 0.000 0.944 190 F CB 1.892 40.923 39.000 0.053 0.000 1.175 190 F HN 0.252 nan 8.300 nan 0.000 0.468 191 R N 2.632 123.189 120.500 0.095 0.000 2.388 191 R HA 0.740 5.079 4.340 -0.001 0.000 0.314 191 R C -1.722 174.585 176.300 0.012 0.000 0.959 191 R CA -0.655 55.433 56.100 -0.019 0.000 0.851 191 R CB 1.442 31.746 30.300 0.007 0.000 1.168 191 R HN 0.984 nan 8.270 nan 0.000 0.472 192 A N 5.151 127.951 122.820 -0.034 0.000 2.664 192 A HA 0.307 4.626 4.320 -0.001 0.000 0.338 192 A C -0.363 177.212 177.584 -0.014 0.000 1.280 192 A CA -0.746 51.297 52.037 0.010 0.000 0.809 192 A CB 0.571 19.602 19.000 0.052 0.000 1.114 192 A HN 0.902 nan 8.150 nan 0.000 0.479 193 K N 1.233 121.629 120.400 -0.008 0.000 2.437 193 K HA 0.407 4.726 4.320 -0.001 0.000 0.205 193 K C 0.370 176.969 176.600 -0.003 0.000 1.026 193 K CA 0.446 56.726 56.287 -0.012 0.000 1.153 193 K CB 0.647 33.139 32.500 -0.014 0.000 0.863 193 K HN 1.145 nan 8.250 nan 0.000 0.502 194 G N 1.469 110.271 108.800 0.004 0.000 3.220 194 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.636 194 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.636 194 G C -0.110 174.796 174.900 0.010 0.000 1.226 194 G CA -0.830 44.273 45.100 0.006 0.000 1.177 194 G HN 0.120 nan 8.290 nan 0.000 0.527 195 E N -2.087 118.121 120.200 0.013 0.000 3.540 195 E HA -0.264 4.086 4.350 -0.001 0.000 0.294 195 E C 0.692 177.302 176.600 0.017 0.000 0.793 195 E CA 1.985 58.393 56.400 0.014 0.000 0.971 195 E CB -1.072 28.633 29.700 0.008 0.000 1.493 195 E HN 1.144 nan 8.360 nan 0.000 0.464 196 V N 1.947 121.872 119.914 0.019 0.000 2.444 196 V HA 0.301 4.421 4.120 -0.001 0.000 0.294 196 V C 0.015 176.129 176.094 0.033 0.000 1.022 196 V CA -0.746 61.567 62.300 0.022 0.000 0.850 196 V CB 1.653 33.484 31.823 0.013 0.000 0.992 196 V HN -0.024 nan 8.190 nan 0.000 0.426 197 L N 4.027 125.276 121.223 0.043 0.000 2.379 197 L HA 0.595 4.934 4.340 -0.001 0.000 0.269 197 L C 0.483 177.382 176.870 0.048 0.000 1.084 197 L CA -0.185 54.693 54.840 0.063 0.000 0.802 197 L CB 0.704 42.806 42.059 0.071 0.000 1.175 197 L HN 0.687 nan 8.230 nan 0.000 0.448 198 E N 2.125 122.362 120.200 0.062 0.000 3.284 198 E HA 0.274 4.623 4.350 -0.001 0.000 0.277 198 E C -1.147 175.489 176.600 0.061 0.000 1.218 198 E CA -0.366 56.050 56.400 0.027 0.000 0.925 198 E CB 0.894 30.599 29.700 0.009 0.000 1.409 198 E HN 0.291 nan 8.360 nan 0.000 0.388 199 I N 1.542 122.129 120.570 0.028 0.000 2.588 199 I HA 0.112 4.282 4.170 -0.001 0.000 0.283 199 I C -0.100 176.052 176.117 0.058 0.000 1.119 199 I CA 0.382 61.700 61.300 0.029 0.000 1.419 199 I CB 0.051 37.975 38.000 -0.125 0.000 1.394 199 I HN 0.366 nan 8.210 nan 0.000 0.562 200 F N 7.813 127.778 119.950 0.025 0.000 2.363 200 F HA 0.409 4.936 4.527 0.000 0.000 0.366 200 F C -2.037 173.780 175.800 0.028 0.000 1.083 200 F CA -2.641 55.359 58.000 0.000 0.000 1.176 200 F CB 0.994 40.010 39.000 0.026 0.000 1.432 200 F HN 0.333 nan 8.300 nan 0.000 0.482 201 P HA -0.083 nan 4.420 nan 0.000 0.264 201 P C 0.289 177.373 177.300 -0.361 0.000 1.183 201 P CA 0.389 63.407 63.100 -0.137 0.000 0.763 201 P CB 1.240 32.618 31.700 -0.536 0.000 0.807 202 A N 3.665 126.168 122.820 -0.528 0.000 2.084 202 A HA -0.210 4.110 4.320 -0.001 0.000 0.221 202 A C 1.400 178.817 177.584 -0.278 0.000 1.161 202 A CA 1.646 53.349 52.037 -0.557 0.000 0.653 202 A CB -1.482 16.925 19.000 -0.989 0.000 0.802 202 A HN 0.721 nan 8.150 nan 0.000 0.457 203 Y N -2.256 118.073 120.300 0.048 0.000 2.467 203 Y HA 0.516 5.066 4.550 -0.001 0.000 0.250 203 Y C 0.433 176.401 175.900 0.115 0.000 1.155 203 Y CA -1.076 57.094 58.100 0.116 0.000 1.249 203 Y CB -0.111 38.436 38.460 0.144 0.000 1.146 203 Y HN 0.033 nan 8.280 nan 0.000 0.524 204 E N 0.861 121.142 120.200 0.136 0.000 2.239 204 E HA 0.305 4.654 4.350 -0.001 0.000 0.261 204 E C 0.449 177.245 176.600 0.327 0.000 1.016 204 E CA 0.511 57.064 56.400 0.254 0.000 0.882 204 E CB 1.725 31.562 29.700 0.229 0.000 1.190 204 E HN 0.278 nan 8.360 nan 0.000 0.415 205 T N -2.907 111.830 114.554 0.305 0.000 3.004 205 T HA 0.288 4.637 4.350 -0.001 0.000 0.266 205 T C 0.078 174.910 174.700 0.221 0.000 0.986 205 T CA -0.263 62.020 62.100 0.304 0.000 0.902 205 T CB 0.390 69.358 68.868 0.166 0.000 1.118 205 T HN 0.247 nan 8.240 nan 0.000 0.522 206 E N 2.949 123.192 120.200 0.072 0.000 2.265 206 E HA 0.370 4.720 4.350 -0.001 0.000 0.262 206 E C -2.852 173.509 176.600 -0.398 0.000 0.889 206 E CA -2.333 53.950 56.400 -0.194 0.000 0.789 206 E CB 2.555 32.206 29.700 -0.081 0.000 1.221 206 E HN 0.208 nan 8.360 nan 0.000 0.414 207 P HA 0.125 nan 4.420 nan 0.000 0.271 207 P C -0.355 176.745 177.300 -0.333 0.000 1.244 207 P CA -0.048 62.626 63.100 -0.711 0.000 0.793 207 P CB 1.152 32.333 31.700 -0.865 0.000 0.984 208 I N 1.262 121.680 120.570 -0.253 0.000 2.382 208 I HA 0.306 4.475 4.170 -0.001 0.000 0.285 208 I C 0.871 176.933 176.117 -0.092 0.000 1.007 208 I CA -0.727 60.456 61.300 -0.194 0.000 1.142 208 I CB 1.120 38.901 38.000 -0.364 0.000 1.289 208 I HN 0.118 nan 8.210 nan 0.000 0.453 209 R N 5.200 125.669 120.500 -0.052 0.000 2.248 209 R HA 0.469 4.808 4.340 -0.001 0.000 0.328 209 R C -0.857 175.464 176.300 0.035 0.000 1.067 209 R CA -0.399 55.694 56.100 -0.012 0.000 0.924 209 R CB 1.171 31.460 30.300 -0.019 0.000 1.013 209 R HN 0.343 nan 8.270 nan 0.000 0.454 210 V N 3.520 123.464 119.914 0.050 0.000 2.459 210 V HA 0.219 4.339 4.120 -0.001 0.000 0.295 210 V C 0.269 176.388 176.094 0.042 0.000 1.029 210 V CA -0.387 61.955 62.300 0.071 0.000 0.874 210 V CB 1.681 33.565 31.823 0.100 0.000 0.985 210 V HN 0.860 nan 8.190 nan 0.000 0.438 211 E N 2.607 122.827 120.200 0.033 0.000 3.045 211 E HA 0.336 4.685 4.350 -0.001 0.000 0.219 211 E C -0.245 176.363 176.600 0.013 0.000 1.168 211 E CA -0.603 55.809 56.400 0.020 0.000 1.067 211 E CB -0.074 29.635 29.700 0.015 0.000 2.714 211 E HN 0.371 nan 8.360 nan 0.000 0.562 237 F N -2.229 117.735 119.950 0.023 0.000 3.265 237 F HA 0.737 5.263 4.527 -0.002 0.000 0.328 237 F C -1.822 174.005 175.800 0.046 0.000 1.117 237 F CA -1.460 56.570 58.000 0.050 0.000 0.850 237 F CB 0.885 39.928 39.000 0.072 0.000 1.470 237 F HN 0.640 nan 8.300 nan 0.000 0.473 238 V N 2.939 123.154 119.914 0.502 0.000 2.524 238 V HA 0.430 4.550 4.120 -0.001 0.000 0.297 238 V C -1.147 175.217 176.094 0.450 0.000 1.035 238 V CA -0.590 61.899 62.300 0.315 0.000 0.867 238 V CB 1.560 33.499 31.823 0.192 0.000 1.004 238 V HN 0.824 nan 8.190 nan 0.000 0.426 239 L N 5.482 126.898 121.223 0.322 0.000 2.276 239 L HA 0.624 4.964 4.340 -0.001 0.000 0.286 239 L C -1.068 175.867 176.870 0.109 0.000 1.061 239 L CA 0.275 55.291 54.840 0.292 0.000 0.807 239 L CB 0.976 43.106 42.059 0.119 0.000 1.177 239 L HN 0.475 nan 8.230 nan 0.000 0.429 240 F N 5.940 126.067 119.950 0.296 0.000 2.432 240 F HA 0.552 5.078 4.527 -0.001 0.000 0.329 240 F C -1.542 174.352 175.800 0.157 0.000 1.076 240 F CA -2.009 56.067 58.000 0.127 0.000 1.018 240 F CB 0.697 39.757 39.000 0.100 0.000 1.201 240 F HN 0.446 nan 8.300 nan 0.000 0.489 241 P HA -0.086 nan 4.420 nan 0.000 0.269 241 P C -0.383 176.952 177.300 0.059 0.000 1.205 241 P CA 0.311 63.525 63.100 0.190 0.000 0.780 241 P CB 0.557 32.336 31.700 0.133 0.000 0.858 242 A N 1.349 124.013 122.820 -0.261 0.000 2.238 242 A HA 0.192 4.511 4.320 -0.001 0.000 0.210 242 A C 0.918 178.256 177.584 -0.410 0.000 1.179 242 A CA 1.002 52.587 52.037 -0.754 0.000 0.827 242 A CB -0.529 17.657 19.000 -1.357 0.000 0.856 242 A HN 0.703 nan 8.150 nan 0.000 0.488 243 T N -5.213 109.317 114.554 -0.040 0.000 2.896 243 T HA 0.499 4.848 4.350 -0.001 0.000 0.297 243 T C 0.037 174.862 174.700 0.209 0.000 1.108 243 T CA -0.544 61.645 62.100 0.149 0.000 1.004 243 T CB 0.968 69.945 68.868 0.181 0.000 1.159 243 T HN 0.190 nan 8.240 nan 0.000 0.499 244 H N 0.227 119.481 119.070 0.306 0.000 2.553 244 H HA 0.174 4.730 4.556 -0.001 0.000 0.265 244 H C -0.204 175.034 175.328 -0.150 0.000 0.964 244 H CA 0.471 56.520 56.048 0.003 0.000 1.156 244 H CB 0.250 29.790 29.762 -0.370 0.000 1.411 244 H HN 0.670 nan 8.280 nan 0.000 0.558 245 Y N 0.940 121.406 120.300 0.276 0.000 2.716 245 Y HA 0.156 4.706 4.550 -0.001 0.000 0.260 245 Y C 0.372 176.442 175.900 0.285 0.000 1.141 245 Y CA -1.105 57.122 58.100 0.211 0.000 1.168 245 Y CB -0.492 37.963 38.460 -0.009 0.000 1.189 245 Y HN -0.101 nan 8.280 nan 0.000 0.549 246 L N -1.549 119.914 121.223 0.401 0.000 2.558 246 L HA 0.029 4.369 4.340 -0.001 0.000 0.301 246 L C 0.833 177.945 176.870 0.404 0.000 1.267 246 L CA -0.080 54.964 54.840 0.339 0.000 0.854 246 L CB -0.248 41.963 42.059 0.252 0.000 1.103 246 L HN 0.035 nan 8.230 nan 0.000 0.522 247 S N 2.616 118.501 115.700 0.307 0.000 2.542 247 S HA 0.159 4.629 4.470 -0.001 0.000 0.287 247 S C -1.531 173.140 174.600 0.119 0.000 1.315 247 S CA -0.024 58.304 58.200 0.214 0.000 1.037 247 S CB -0.077 63.193 63.200 0.117 0.000 0.822 247 S HN 0.877 nan 8.310 nan 0.000 0.513 248 P HA 0.392 nan 4.420 nan 0.000 0.349 248 P C 0.061 177.332 177.300 -0.048 0.000 1.211 248 P CA -0.546 62.521 63.100 -0.055 0.000 0.787 248 P CB 0.599 32.179 31.700 -0.199 0.000 1.483 249 E N 0.117 120.292 120.200 -0.041 0.000 1.987 249 E HA -0.009 4.341 4.350 -0.001 0.000 0.200 249 E C 1.694 178.271 176.600 -0.038 0.000 0.990 249 E CA 1.461 57.846 56.400 -0.025 0.000 0.859 249 E CB -1.499 28.195 29.700 -0.009 0.000 0.805 249 E HN 0.519 nan 8.360 nan 0.000 0.499 250 G N 1.382 110.155 108.800 -0.044 0.000 3.562 250 G HA2 0.086 4.046 3.960 -0.001 0.000 0.279 250 G HA3 0.086 4.046 3.960 -0.001 0.000 0.279 250 G C 0.866 175.725 174.900 -0.069 0.000 1.314 250 G CA -0.375 44.700 45.100 -0.041 0.000 1.189 250 G HN 0.181 nan 8.290 nan 0.000 0.562 251 L N 0.075 121.237 121.223 -0.101 0.000 2.293 251 L HA -0.333 4.006 4.340 -0.001 0.000 0.230 251 L C 2.351 179.161 176.870 -0.101 0.000 1.118 251 L CA 2.740 57.500 54.840 -0.133 0.000 0.846 251 L CB -0.326 41.679 42.059 -0.089 0.000 0.923 251 L HN 0.366 nan 8.230 nan 0.000 0.452 252 E N -0.380 119.782 120.200 -0.062 0.000 2.031 252 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 252 E C 2.100 178.673 176.600 -0.044 0.000 0.994 252 E CA 1.214 57.586 56.400 -0.046 0.000 0.800 252 E CB -0.357 29.327 29.700 -0.027 0.000 0.752 252 E HN 0.428 nan 8.360 nan 0.000 0.447 253 E N 0.521 120.699 120.200 -0.035 0.000 2.204 253 E HA -0.134 4.216 4.350 -0.001 0.000 0.195 253 E C 1.900 178.486 176.600 -0.024 0.000 0.990 253 E CA 0.701 57.090 56.400 -0.019 0.000 0.821 253 E CB -0.032 29.663 29.700 -0.008 0.000 0.750 253 E HN 0.324 nan 8.360 nan 0.000 0.477 254 I N 0.260 120.793 120.570 -0.062 0.000 2.333 254 I HA -0.224 3.946 4.170 -0.001 0.000 0.246 254 I C 2.344 178.378 176.117 -0.137 0.000 1.106 254 I CA 0.480 61.735 61.300 -0.075 0.000 1.411 254 I CB -0.209 37.688 38.000 -0.170 0.000 1.082 254 I HN 0.086 nan 8.210 nan 0.000 0.420 255 L N 0.587 121.725 121.223 -0.142 0.000 2.191 255 L HA -0.208 4.132 4.340 -0.001 0.000 0.212 255 L C 2.464 179.263 176.870 -0.119 0.000 1.103 255 L CA 1.349 56.093 54.840 -0.160 0.000 0.769 255 L CB -0.623 41.365 42.059 -0.118 0.000 0.908 255 L HN 0.237 nan 8.230 nan 0.000 0.438 256 K N -0.271 120.091 120.400 -0.063 0.000 2.057 256 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 256 K C 2.079 178.676 176.600 -0.005 0.000 1.050 256 K CA 0.925 57.203 56.287 -0.014 0.000 0.935 256 K CB 0.002 32.507 32.500 0.009 0.000 0.715 256 K HN 0.182 nan 8.250 nan 0.000 0.439 257 E N 0.973 121.168 120.200 -0.009 0.000 2.106 257 E HA -0.121 4.229 4.350 -0.001 0.000 0.192 257 E C 2.025 178.588 176.600 -0.061 0.000 0.984 257 E CA 0.911 57.346 56.400 0.059 0.000 0.806 257 E CB -0.118 29.710 29.700 0.214 0.000 0.750 257 E HN 0.341 nan 8.360 nan 0.000 0.458 258 I N 0.782 121.130 120.570 -0.370 0.000 2.252 258 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 258 I C 2.566 178.569 176.117 -0.190 0.000 1.102 258 I CA 1.145 62.135 61.300 -0.516 0.000 1.385 258 I CB -0.220 37.417 38.000 -0.606 0.000 1.064 258 I HN 0.109 nan 8.210 nan 0.000 0.414 259 E N 1.438 121.564 120.200 -0.123 0.000 2.150 259 E HA -0.280 4.070 4.350 -0.001 0.000 0.193 259 E C 2.183 178.808 176.600 0.043 0.000 0.985 259 E CA 1.123 57.486 56.400 -0.061 0.000 0.814 259 E CB 0.074 29.805 29.700 0.052 0.000 0.752 259 E HN 0.305 nan 8.360 nan 0.000 0.466 260 K N 0.823 121.278 120.400 0.093 0.000 2.057 260 K HA -0.226 4.093 4.320 -0.001 0.000 0.207 260 K C 2.133 178.811 176.600 0.131 0.000 1.049 260 K CA 1.688 58.069 56.287 0.156 0.000 0.931 260 K CB -0.057 32.521 32.500 0.130 0.000 0.714 260 K HN 0.110 nan 8.250 nan 0.000 0.440 261 E N 0.392 120.649 120.200 0.095 0.000 2.106 261 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 261 E C 2.058 178.673 176.600 0.025 0.000 0.984 261 E CA 0.827 57.286 56.400 0.097 0.000 0.806 261 E CB -0.062 29.744 29.700 0.176 0.000 0.750 261 E HN 0.274 nan 8.360 nan 0.000 0.458 262 L N 0.263 121.441 121.223 -0.075 0.000 1.990 262 L HA -0.174 4.165 4.340 -0.001 0.000 0.213 262 L C 1.869 178.582 176.870 -0.261 0.000 1.072 262 L CA 2.053 56.746 54.840 -0.245 0.000 0.755 262 L CB -0.870 40.893 42.059 -0.494 0.000 0.889 262 L HN 0.289 nan 8.230 nan 0.000 0.432 263 W N 0.075 121.412 121.300 0.061 0.000 2.425 263 W HA -0.101 4.559 4.660 -0.001 0.000 0.277 263 W C 2.438 178.992 176.519 0.059 0.000 1.231 263 W CA 0.916 58.296 57.345 0.059 0.000 1.248 263 W CB -0.172 29.315 29.460 0.044 0.000 1.117 263 W HN 0.249 nan 8.180 nan 0.000 0.568 264 E N 0.208 120.538 120.200 0.216 0.000 2.072 264 E HA -0.217 4.132 4.350 -0.001 0.000 0.191 264 E C 2.085 178.745 176.600 0.101 0.000 0.985 264 E CA 1.011 57.498 56.400 0.145 0.000 0.801 264 E CB -0.256 29.503 29.700 0.097 0.000 0.750 264 E HN 0.024 nan 8.360 nan 0.000 0.452 265 R N 0.981 121.506 120.500 0.043 0.000 2.115 265 R HA -0.070 4.270 4.340 -0.001 0.000 0.226 265 R C 2.067 178.403 176.300 0.060 0.000 1.100 265 R CA 0.746 56.822 56.100 -0.039 0.000 0.980 265 R CB -0.538 29.712 30.300 -0.083 0.000 0.875 265 R HN 0.008 nan 8.270 nan 0.000 0.445 266 V N 0.812 120.819 119.914 0.154 0.000 2.343 266 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 266 V C 2.519 178.772 176.094 0.266 0.000 1.051 266 V CA 2.230 64.690 62.300 0.267 0.000 1.036 266 V CB -0.559 31.426 31.823 0.270 0.000 0.654 266 V HN 0.394 nan 8.190 nan 0.000 0.451 267 R N -0.953 119.684 120.500 0.228 0.000 2.081 267 R HA -0.240 4.100 4.340 -0.001 0.000 0.235 267 R C 2.386 178.762 176.300 0.127 0.000 1.131 267 R CA 2.201 58.403 56.100 0.171 0.000 0.960 267 R CB -0.565 29.826 30.300 0.152 0.000 0.856 267 R HN 0.633 nan 8.270 nan 0.000 0.436 268 Y N 0.343 120.623 120.300 -0.034 0.000 2.114 268 Y HA -0.286 4.263 4.550 -0.001 0.000 0.282 268 Y C 1.661 177.517 175.900 -0.073 0.000 1.165 268 Y CA 2.208 60.233 58.100 -0.124 0.000 1.148 268 Y CB -0.547 37.734 38.460 -0.298 0.000 0.972 268 Y HN 0.053 nan 8.280 nan 0.000 0.504 269 F N 0.157 120.126 119.950 0.031 0.000 2.113 269 F HA -0.158 4.368 4.527 -0.001 0.000 0.297 269 F C 2.474 178.214 175.800 -0.099 0.000 1.103 269 F CA 1.206 59.165 58.000 -0.068 0.000 1.248 269 F CB -0.375 38.684 39.000 0.099 0.000 0.999 269 F HN 0.064 nan 8.300 nan 0.000 0.475 270 E N 0.829 121.130 120.200 0.169 0.000 2.070 270 E HA -0.234 4.115 4.350 -0.001 0.000 0.197 270 E C 1.837 178.445 176.600 0.013 0.000 1.004 270 E CA 1.701 58.151 56.400 0.082 0.000 0.805 270 E CB -0.198 29.562 29.700 0.101 0.000 0.744 270 E HN 0.409 nan 8.360 nan 0.000 0.451 271 E N -0.508 119.681 120.200 -0.019 0.000 2.265 271 E HA -0.140 4.210 4.350 -0.001 0.000 0.196 271 E C 1.883 178.432 176.600 -0.085 0.000 0.996 271 E CA 0.670 57.040 56.400 -0.050 0.000 0.832 271 E CB -0.040 29.625 29.700 -0.058 0.000 0.756 271 E HN 0.156 nan 8.360 nan 0.000 0.491 272 R N -0.545 119.879 120.500 -0.126 0.000 2.310 272 R HA 0.079 4.418 4.340 -0.001 0.000 0.202 272 R C 1.162 177.418 176.300 -0.072 0.000 0.933 272 R CA 0.487 56.514 56.100 -0.122 0.000 1.054 272 R CB 0.531 30.720 30.300 -0.184 0.000 0.985 272 R HN 0.231 nan 8.270 nan 0.000 0.489 273 G N 1.530 110.296 108.800 -0.057 0.000 2.162 273 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.260 273 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.260 273 G C -0.122 174.712 174.900 -0.110 0.000 0.976 273 G CA 0.061 45.123 45.100 -0.064 0.000 0.655 273 G HN 0.440 nan 8.290 nan 0.000 0.533 274 E N 0.606 120.735 120.200 -0.118 0.000 2.110 274 E HA 0.388 4.737 4.350 -0.001 0.000 0.300 274 E C 1.713 178.138 176.600 -0.292 0.000 1.278 274 E CA -0.300 55.917 56.400 -0.304 0.000 1.365 274 E CB 0.617 30.150 29.700 -0.278 0.000 1.283 274 E HN 0.252 nan 8.360 nan 0.000 0.490 275 V N 1.247 121.035 119.914 -0.209 0.000 2.469 275 V HA -0.279 3.840 4.120 -0.001 0.000 0.251 275 V C 2.022 177.999 176.094 -0.196 0.000 1.064 275 V CA 1.429 63.645 62.300 -0.141 0.000 1.066 275 V CB -0.326 31.439 31.823 -0.096 0.000 0.667 275 V HN 0.502 nan 8.190 nan 0.000 0.461 276 L N -0.684 120.353 121.223 -0.310 0.000 2.046 276 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 276 L C 2.359 179.076 176.870 -0.255 0.000 1.077 276 L CA 2.119 56.794 54.840 -0.275 0.000 0.747 276 L CB -0.669 41.210 42.059 -0.300 0.000 0.896 276 L HN 0.341 nan 8.230 nan 0.000 0.432 277 Y N -0.269 119.747 120.300 -0.473 0.000 2.242 277 Y HA 0.016 4.566 4.550 -0.001 0.000 0.291 277 Y C 2.602 178.079 175.900 -0.705 0.000 1.137 277 Y CA 0.427 58.022 58.100 -0.841 0.000 1.181 277 Y CB -1.647 35.884 38.460 -1.549 0.000 0.989 277 Y HN 0.284 nan 8.280 nan 0.000 0.527 278 A N 0.015 122.692 122.820 -0.238 0.000 1.898 278 A HA -0.255 4.065 4.320 -0.001 0.000 0.216 278 A C 2.313 179.888 177.584 -0.015 0.000 1.181 278 A CA 1.785 53.853 52.037 0.051 0.000 0.620 278 A CB -0.833 18.253 19.000 0.143 0.000 0.819 278 A HN 0.512 nan 8.150 nan 0.000 0.442 279 Q N -0.571 119.188 119.800 -0.068 0.000 2.050 279 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 279 Q C 2.381 178.315 176.000 -0.110 0.000 0.980 279 Q CA 1.578 57.344 55.803 -0.063 0.000 0.840 279 Q CB -0.217 28.478 28.738 -0.071 0.000 0.898 279 Q HN 0.634 nan 8.270 nan 0.000 0.424 280 R N 0.057 120.442 120.500 -0.191 0.000 2.080 280 R HA -0.191 4.149 4.340 -0.001 0.000 0.236 280 R C 2.427 178.588 176.300 -0.231 0.000 1.137 280 R CA 1.624 57.555 56.100 -0.281 0.000 0.943 280 R CB -0.460 29.539 30.300 -0.501 0.000 0.846 280 R HN 0.386 nan 8.270 nan 0.000 0.431 281 L N 1.679 122.788 121.223 -0.190 0.000 2.046 281 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 281 L C 2.416 179.230 176.870 -0.094 0.000 1.077 281 L CA 1.929 56.714 54.840 -0.092 0.000 0.747 281 L CB -0.483 41.602 42.059 0.044 0.000 0.896 281 L HN 0.122 nan 8.230 nan 0.000 0.432 282 K N -0.464 119.870 120.400 -0.110 0.000 2.002 282 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 282 K C 1.999 178.550 176.600 -0.081 0.000 1.048 282 K CA 1.977 58.168 56.287 -0.159 0.000 0.930 282 K CB -0.235 32.208 32.500 -0.094 0.000 0.714 282 K HN 0.445 nan 8.250 nan 0.000 0.438 283 E N 0.037 120.208 120.200 -0.047 0.000 2.058 283 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 283 E C 2.269 178.880 176.600 0.018 0.000 0.997 283 E CA 1.398 57.791 56.400 -0.011 0.000 0.801 283 E CB 0.048 29.724 29.700 -0.040 0.000 0.746 283 E HN 0.287 nan 8.360 nan 0.000 0.450 284 R N -0.119 120.371 120.500 -0.016 0.000 2.075 284 R HA -0.055 4.285 4.340 -0.001 0.000 0.232 284 R C 2.456 178.829 176.300 0.122 0.000 1.126 284 R CA 1.659 57.782 56.100 0.040 0.000 0.963 284 R CB -0.286 30.011 30.300 -0.005 0.000 0.858 284 R HN 0.108 nan 8.270 nan 0.000 0.435 285 T N 1.505 116.096 114.554 0.061 0.000 2.777 285 T HA -0.028 4.322 4.350 -0.001 0.000 0.266 285 T C 1.848 176.563 174.700 0.026 0.000 1.040 285 T CA 0.879 63.022 62.100 0.071 0.000 1.141 285 T CB -0.078 68.784 68.868 -0.009 0.000 0.868 285 T HN 0.109 nan 8.240 nan 0.000 0.444 286 L N -0.286 120.940 121.223 0.006 0.000 2.141 286 L HA -0.055 4.284 4.340 -0.001 0.000 0.209 286 L C 2.373 179.280 176.870 0.061 0.000 1.094 286 L CA 1.282 56.133 54.840 0.017 0.000 0.763 286 L CB -0.528 41.555 42.059 0.039 0.000 0.908 286 L HN 0.278 nan 8.230 nan 0.000 0.437 287 Y N 1.235 121.531 120.300 -0.007 0.000 2.163 287 Y HA -0.268 4.281 4.550 -0.001 0.000 0.288 287 Y C 2.292 178.195 175.900 0.006 0.000 1.136 287 Y CA 1.742 59.845 58.100 0.005 0.000 1.147 287 Y CB -0.107 38.361 38.460 0.012 0.000 0.987 287 Y HN 0.198 nan 8.280 nan 0.000 0.509 288 D N 0.256 120.707 120.400 0.086 0.000 2.097 288 D HA -0.189 4.450 4.640 -0.001 0.000 0.195 288 D C 2.338 178.556 176.300 -0.137 0.000 0.989 288 D CA 1.661 55.658 54.000 -0.005 0.000 0.827 288 D CB -0.544 40.344 40.800 0.147 0.000 0.966 288 D HN 0.398 nan 8.370 nan 0.000 0.456 289 L N 0.558 121.697 121.223 -0.139 0.000 2.079 289 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 289 L C 2.407 179.201 176.870 -0.128 0.000 1.081 289 L CA 1.070 55.814 54.840 -0.159 0.000 0.752 289 L CB -0.302 41.681 42.059 -0.127 0.000 0.896 289 L HN -0.027 nan 8.230 nan 0.000 0.433 290 E N -0.135 119.984 120.200 -0.136 0.000 2.107 290 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 290 E C 2.217 178.712 176.600 -0.176 0.000 0.982 290 E CA 1.140 57.458 56.400 -0.137 0.000 0.809 290 E CB -0.038 29.578 29.700 -0.141 0.000 0.756 290 E HN 0.180 nan 8.360 nan 0.000 0.459 291 M N -0.142 119.301 119.600 -0.263 0.000 2.117 291 M HA -0.090 4.389 4.480 -0.001 0.000 0.262 291 M C 2.111 178.344 176.300 -0.112 0.000 1.065 291 M CA 1.200 56.359 55.300 -0.235 0.000 1.114 291 M CB -0.538 31.885 32.600 -0.295 0.000 1.361 291 M HN 0.217 nan 8.290 nan 0.000 0.408 292 L N -1.301 119.866 121.223 -0.093 0.000 2.141 292 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 292 L C 2.460 179.313 176.870 -0.029 0.000 1.094 292 L CA 0.871 55.691 54.840 -0.033 0.000 0.763 292 L CB -0.553 41.485 42.059 -0.036 0.000 0.908 292 L HN 0.267 nan 8.230 nan 0.000 0.437 293 R N -0.454 120.013 120.500 -0.055 0.000 2.307 293 R HA -0.015 4.325 4.340 -0.001 0.000 0.199 293 R C 1.185 177.467 176.300 -0.030 0.000 1.000 293 R CA 0.490 56.565 56.100 -0.041 0.000 1.023 293 R CB 0.347 30.618 30.300 -0.047 0.000 0.908 293 R HN 0.197 nan 8.270 nan 0.000 0.473 294 V N -0.297 119.595 119.914 -0.037 0.000 3.477 294 V HA 0.192 4.312 4.120 -0.001 0.000 0.297 294 V C 0.965 177.055 176.094 -0.008 0.000 1.433 294 V CA 0.324 62.609 62.300 -0.025 0.000 1.052 294 V CB 0.681 32.478 31.823 -0.042 0.000 0.895 294 V HN 0.254 nan 8.190 nan 0.000 0.438 295 M N -0.862 118.737 119.600 -0.001 0.000 2.227 295 M HA 0.314 4.793 4.480 -0.001 0.000 0.422 295 M C 1.341 177.668 176.300 0.046 0.000 0.947 295 M CA 0.710 56.023 55.300 0.022 0.000 1.034 295 M CB 1.606 34.213 32.600 0.012 0.000 2.060 295 M HN 0.293 nan 8.290 nan 0.000 0.689 296 G N 1.858 110.687 108.800 0.048 0.000 2.186 296 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.266 296 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.266 296 G C 0.212 175.195 174.900 0.138 0.000 0.982 296 G CA 1.268 46.421 45.100 0.089 0.000 0.670 296 G HN 0.494 nan 8.290 nan 0.000 0.533 297 T N -1.556 113.052 114.554 0.090 0.000 2.769 297 T HA 0.619 4.968 4.350 -0.001 0.000 0.306 297 T C -0.790 173.929 174.700 0.031 0.000 1.400 297 T CA 0.621 62.770 62.100 0.081 0.000 1.007 297 T CB 1.373 70.282 68.868 0.069 0.000 1.392 297 T HN 1.800 nan 8.240 nan 0.000 0.500 298 C N 1.786 121.097 119.300 0.019 0.000 3.284 298 C HA 0.836 5.295 4.460 -0.001 0.000 0.338 298 C C -2.919 172.082 174.990 0.018 0.000 1.237 298 C CA -1.597 57.434 59.018 0.020 0.000 1.276 298 C CB 1.019 28.777 27.740 0.029 0.000 1.601 298 C HN 0.781 nan 8.230 nan 0.000 0.494 299 P HA 0.353 nan 4.420 nan 0.000 0.265 299 P C 0.930 178.234 177.300 0.006 0.000 1.193 299 P CA 2.068 65.168 63.100 -0.000 0.000 0.765 299 P CB 0.441 32.158 31.700 0.029 0.000 0.823 300 G N 2.045 110.801 108.800 -0.073 0.000 2.147 300 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.244 300 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.244 300 G C 0.688 175.536 174.900 -0.086 0.000 1.005 300 G CA 0.021 45.074 45.100 -0.080 0.000 0.713 300 G HN 0.521 nan 8.290 nan 0.000 0.515 301 V N 0.019 119.857 119.914 -0.127 0.000 2.568 301 V HA -0.144 3.976 4.120 -0.001 0.000 0.253 301 V C 2.563 178.481 176.094 -0.293 0.000 1.072 301 V CA 3.149 65.375 62.300 -0.124 0.000 1.084 301 V CB -0.162 31.512 31.823 -0.249 0.000 0.676 301 V HN 0.642 nan 8.190 nan 0.000 0.469 302 E N 0.874 120.789 120.200 -0.475 0.000 2.171 302 E HA -0.253 4.096 4.350 -0.001 0.000 0.197 302 E C 1.758 178.298 176.600 -0.100 0.000 0.997 302 E CA 1.923 58.093 56.400 -0.383 0.000 0.810 302 E CB -0.737 28.850 29.700 -0.188 0.000 0.738 302 E HN 0.788 nan 8.360 nan 0.000 0.467 303 N N -0.456 118.140 118.700 -0.174 0.000 2.348 303 N HA -0.164 4.576 4.740 -0.001 0.000 0.185 303 N C 0.469 175.820 175.510 -0.265 0.000 1.019 303 N CA 0.938 53.840 53.050 -0.247 0.000 0.880 303 N CB -0.142 38.092 38.487 -0.422 0.000 0.965 303 N HN 0.314 nan 8.380 nan 0.000 0.437 304 Y N -0.348 120.006 120.300 0.089 0.000 2.571 304 Y HA 0.437 4.987 4.550 -0.001 0.000 0.275 304 Y C 1.773 177.863 175.900 0.317 0.000 1.179 304 Y CA -0.515 57.747 58.100 0.270 0.000 1.242 304 Y CB -0.110 38.509 38.460 0.264 0.000 1.126 304 Y HN 0.013 nan 8.280 nan 0.000 0.524 305 A N 1.655 124.635 122.820 0.267 0.000 1.896 305 A HA -0.355 3.965 4.320 -0.001 0.000 0.220 305 A C 2.405 180.209 177.584 0.367 0.000 1.206 305 A CA 2.583 54.809 52.037 0.315 0.000 0.647 305 A CB -0.730 18.443 19.000 0.289 0.000 0.828 305 A HN 0.623 nan 8.150 nan 0.000 0.455 306 R N -1.853 118.788 120.500 0.235 0.000 2.127 306 R HA -0.203 4.136 4.340 -0.001 0.000 0.238 306 R C 1.843 178.209 176.300 0.110 0.000 1.134 306 R CA 2.150 58.309 56.100 0.098 0.000 0.975 306 R CB -0.656 29.598 30.300 -0.076 0.000 0.865 306 R HN 0.571 nan 8.270 nan 0.000 0.447 307 Y N -0.469 120.032 120.300 0.336 0.000 2.373 307 Y HA -0.058 4.492 4.550 -0.001 0.000 0.293 307 Y C 1.636 177.714 175.900 0.297 0.000 1.129 307 Y CA 0.928 59.206 58.100 0.297 0.000 1.226 307 Y CB -0.016 38.636 38.460 0.320 0.000 1.000 307 Y HN 0.005 nan 8.280 nan 0.000 0.549 308 F N -0.971 119.172 119.950 0.322 0.000 2.416 308 F HA -0.064 4.462 4.527 -0.001 0.000 0.296 308 F C 2.341 178.282 175.800 0.236 0.000 1.099 308 F CA 1.312 59.474 58.000 0.270 0.000 1.427 308 F CB -0.726 38.461 39.000 0.312 0.000 1.079 308 F HN -0.008 nan 8.300 nan 0.000 0.536 309 T N -3.973 110.834 114.554 0.422 0.000 3.069 309 T HA 0.360 4.709 4.350 -0.001 0.000 0.252 309 T C 1.802 176.651 174.700 0.249 0.000 1.053 309 T CA 0.443 62.765 62.100 0.371 0.000 0.964 309 T CB -0.020 69.115 68.868 0.445 0.000 1.005 309 T HN 0.354 nan 8.240 nan 0.000 0.532 310 G N 2.128 111.034 108.800 0.177 0.000 2.180 310 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.263 310 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.263 310 G C 0.176 175.100 174.900 0.039 0.000 0.989 310 G CA 0.280 45.438 45.100 0.097 0.000 0.692 310 G HN 0.583 nan 8.290 nan 0.000 0.526 311 K N 0.508 120.919 120.400 0.018 0.000 2.355 311 K HA 0.539 4.858 4.320 -0.001 0.000 0.270 311 K C 0.899 177.460 176.600 -0.065 0.000 1.003 311 K CA 0.479 56.736 56.287 -0.051 0.000 0.957 311 K CB 0.881 33.323 32.500 -0.097 0.000 0.939 311 K HN 0.565 nan 8.250 nan 0.000 0.482 312 A N 4.162 126.943 122.820 -0.064 0.000 2.304 312 A HA 0.355 4.675 4.320 -0.001 0.000 0.271 312 A C -2.051 175.493 177.584 -0.066 0.000 1.091 312 A CA -1.341 50.659 52.037 -0.061 0.000 0.812 312 A CB -0.304 18.670 19.000 -0.043 0.000 1.056 312 A HN 0.453 nan 8.150 nan 0.000 0.489 313 P HA 0.175 nan 4.420 nan 0.000 0.265 313 P C 0.897 178.178 177.300 -0.031 0.000 1.193 313 P CA 1.518 64.589 63.100 -0.047 0.000 0.765 313 P CB 0.831 32.509 31.700 -0.037 0.000 0.823 314 G N 1.981 110.771 108.800 -0.017 0.000 2.284 314 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.247 314 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.247 314 G C 0.177 175.053 174.900 -0.040 0.000 1.012 314 G CA -0.142 44.949 45.100 -0.014 0.000 0.618 314 G HN 0.601 nan 8.290 nan 0.000 0.521 315 E N 1.870 122.038 120.200 -0.054 0.000 2.398 315 E HA 0.306 4.655 4.350 -0.001 0.000 0.263 315 E C -2.266 174.283 176.600 -0.085 0.000 1.046 315 E CA -1.367 54.987 56.400 -0.076 0.000 0.908 315 E CB 0.521 30.168 29.700 -0.089 0.000 0.963 315 E HN 0.180 nan 8.360 nan 0.000 0.431 316 P HA 0.047 nan 4.420 nan 0.000 0.267 316 P C -2.312 174.908 177.300 -0.134 0.000 1.205 316 P CA -0.719 62.326 63.100 -0.092 0.000 0.765 316 P CB 0.125 31.776 31.700 -0.082 0.000 0.828 317 P HA 0.139 nan 4.420 nan 0.000 0.278 317 P C -0.714 176.537 177.300 -0.082 0.000 1.266 317 P CA -0.370 62.668 63.100 -0.103 0.000 0.807 317 P CB 0.684 32.375 31.700 -0.015 0.000 1.094 318 Y N -0.144 120.195 120.300 0.064 0.000 2.397 318 Y HA 0.317 4.867 4.550 -0.001 0.000 0.335 318 Y C 1.703 177.664 175.900 0.101 0.000 1.213 318 Y CA 0.669 58.812 58.100 0.072 0.000 1.391 318 Y CB 0.696 39.199 38.460 0.072 0.000 1.293 318 Y HN 0.437 nan 8.280 nan 0.000 0.557 319 T N -1.040 113.690 114.554 0.294 0.000 2.778 319 T HA 0.214 4.564 4.350 -0.001 0.000 0.293 319 T C 0.251 175.055 174.700 0.174 0.000 1.144 319 T CA -0.958 61.267 62.100 0.208 0.000 1.010 319 T CB 0.765 69.741 68.868 0.180 0.000 1.325 319 T HN 0.491 nan 8.240 nan 0.000 0.515 320 L N 0.679 121.892 121.223 -0.016 0.000 2.129 320 L HA 0.063 4.402 4.340 -0.001 0.000 0.212 320 L C 2.259 179.153 176.870 0.040 0.000 1.087 320 L CA 1.606 56.294 54.840 -0.254 0.000 0.757 320 L CB -1.182 40.538 42.059 -0.565 0.000 0.896 320 L HN 0.742 nan 8.230 nan 0.000 0.434 321 L N -0.781 120.484 121.223 0.069 0.000 2.079 321 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 321 L C 2.025 178.891 176.870 -0.006 0.000 1.081 321 L CA 1.533 56.359 54.840 -0.025 0.000 0.752 321 L CB -0.904 41.167 42.059 0.020 0.000 0.896 321 L HN 0.370 nan 8.230 nan 0.000 0.433 322 D N -0.875 119.593 120.400 0.112 0.000 2.312 322 D HA -0.151 4.488 4.640 -0.001 0.000 0.211 322 D C 1.693 177.957 176.300 -0.059 0.000 0.964 322 D CA 1.107 55.140 54.000 0.054 0.000 0.877 322 D CB 0.114 40.978 40.800 0.107 0.000 0.924 322 D HN 0.410 nan 8.370 nan 0.000 0.515 323 Y N -0.483 119.725 120.300 -0.153 0.000 2.546 323 Y HA 0.100 4.649 4.550 -0.001 0.000 0.287 323 Y C 0.725 176.441 175.900 -0.306 0.000 1.158 323 Y CA -0.041 57.914 58.100 -0.241 0.000 1.307 323 Y CB -0.137 38.101 38.460 -0.371 0.000 1.036 323 Y HN -0.187 nan 8.280 nan 0.000 0.532 324 F N 0.814 120.601 119.950 -0.272 0.000 2.370 324 F HA 0.376 4.903 4.527 -0.000 0.000 0.324 324 F C -1.727 173.955 175.800 -0.195 0.000 1.116 324 F CA -2.677 55.096 58.000 -0.379 0.000 1.123 324 F CB 0.227 38.594 39.000 -1.055 0.000 1.238 324 F HN -0.206 nan 8.300 nan 0.000 0.536 325 P HA 0.056 nan 4.420 nan 0.000 0.272 325 P C 0.299 177.749 177.300 0.251 0.000 1.230 325 P CA -0.180 63.004 63.100 0.141 0.000 0.788 325 P CB 0.449 32.227 31.700 0.131 0.000 0.949 326 E N 1.355 121.658 120.200 0.172 0.000 2.273 326 E HA -0.243 4.106 4.350 -0.001 0.000 0.198 326 E C 0.341 177.042 176.600 0.168 0.000 1.002 326 E CA 1.337 57.843 56.400 0.176 0.000 0.828 326 E CB -0.518 29.230 29.700 0.079 0.000 0.747 326 E HN 0.454 nan 8.360 nan 0.000 0.491 327 D N 1.207 121.702 120.400 0.157 0.000 2.427 327 D HA -0.008 4.632 4.640 -0.001 0.000 0.224 327 D C 0.267 176.612 176.300 0.075 0.000 1.157 327 D CA -0.748 53.287 54.000 0.059 0.000 0.828 327 D CB -0.906 39.916 40.800 0.037 0.000 0.974 327 D HN 0.331 nan 8.370 nan 0.000 0.498 328 F N 0.243 120.193 119.950 -0.000 0.000 2.496 328 F HA 0.381 4.908 4.527 -0.001 0.000 0.344 328 F C -0.167 175.567 175.800 -0.111 0.000 1.155 328 F CA -1.336 56.662 58.000 -0.004 0.000 1.302 328 F CB 0.539 39.544 39.000 0.009 0.000 1.159 328 F HN -0.158 nan 8.300 nan 0.000 0.595 329 L N 4.371 125.512 121.223 -0.136 0.000 2.322 329 L HA 0.656 4.995 4.340 -0.001 0.000 0.279 329 L C -1.043 175.686 176.870 -0.236 0.000 1.036 329 L CA -0.766 53.907 54.840 -0.279 0.000 0.807 329 L CB 1.653 43.652 42.059 -0.099 0.000 1.226 329 L HN 0.644 nan 8.230 nan 0.000 0.433 330 V N 5.105 124.781 119.914 -0.397 0.000 2.555 330 V HA 0.487 4.606 4.120 -0.001 0.000 0.302 330 V C -0.805 175.122 176.094 -0.279 0.000 1.038 330 V CA -0.359 61.818 62.300 -0.205 0.000 0.887 330 V CB 1.493 33.183 31.823 -0.221 0.000 0.991 330 V HN 0.540 nan 8.190 nan 0.000 0.434 331 F N 4.615 124.546 119.950 -0.032 0.000 2.467 331 F HA 0.592 5.118 4.527 -0.001 0.000 0.336 331 F C -0.040 175.800 175.800 0.066 0.000 1.123 331 F CA -0.636 57.367 58.000 0.006 0.000 0.964 331 F CB 1.691 40.718 39.000 0.045 0.000 1.136 331 F HN 0.173 nan 8.300 nan 0.000 0.447 332 L N 3.545 124.894 121.223 0.211 0.000 2.335 332 L HA 0.309 4.648 4.340 -0.001 0.000 0.268 332 L C -0.445 176.580 176.870 0.259 0.000 1.037 332 L CA -0.640 54.339 54.840 0.232 0.000 0.895 332 L CB 0.712 42.928 42.059 0.263 0.000 1.266 332 L HN 0.512 nan 8.230 nan 0.000 0.439 333 D N 3.053 123.591 120.400 0.231 0.000 2.399 333 D HA -0.002 4.637 4.640 -0.001 0.000 0.241 333 D C 0.463 176.856 176.300 0.155 0.000 1.133 333 D CA 0.405 54.525 54.000 0.199 0.000 0.890 333 D CB 0.758 41.657 40.800 0.165 0.000 1.201 333 D HN 0.347 nan 8.370 nan 0.000 0.432 334 E N 1.444 121.742 120.200 0.163 0.000 2.269 334 E HA -0.231 4.119 4.350 -0.001 0.000 0.223 334 E C 1.057 177.695 176.600 0.064 0.000 1.244 334 E CA 0.871 57.347 56.400 0.127 0.000 0.713 334 E CB -1.956 27.750 29.700 0.009 0.000 1.178 334 E HN 0.533 nan 8.360 nan 0.000 0.370 335 S N -0.020 115.810 115.700 0.217 0.000 2.402 335 S HA -0.287 4.183 4.470 -0.001 0.000 0.233 335 S C 1.686 176.356 174.600 0.117 0.000 1.030 335 S CA 1.666 60.000 58.200 0.223 0.000 1.003 335 S CB -0.650 62.783 63.200 0.387 0.000 0.813 335 S HN 0.676 nan 8.310 nan 0.000 0.477 336 H N 0.548 119.656 119.070 0.063 0.000 2.521 336 H HA 0.165 4.721 4.556 -0.001 0.000 0.286 336 H C 1.733 177.084 175.328 0.040 0.000 1.034 336 H CA 1.184 57.254 56.048 0.036 0.000 1.278 336 H CB -0.584 29.204 29.762 0.044 0.000 1.386 336 H HN 0.461 nan 8.280 nan 0.000 0.567 337 V N 0.640 120.288 119.914 -0.443 0.000 2.690 337 V HA -0.096 4.024 4.120 -0.001 0.000 0.240 337 V C 2.427 178.423 176.094 -0.163 0.000 1.078 337 V CA 1.374 63.492 62.300 -0.304 0.000 1.102 337 V CB -0.138 31.471 31.823 -0.357 0.000 0.800 337 V HN 0.362 nan 8.190 nan 0.000 0.479 338 T N 0.597 115.083 114.554 -0.113 0.000 2.788 338 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 338 T C 1.939 176.587 174.700 -0.087 0.000 1.044 338 T CA 1.590 63.655 62.100 -0.059 0.000 1.139 338 T CB -0.083 68.796 68.868 0.019 0.000 0.867 338 T HN 0.208 nan 8.240 nan 0.000 0.454 339 V N 2.032 121.895 119.914 -0.085 0.000 2.261 339 V HA -0.094 4.025 4.120 -0.001 0.000 0.246 339 V C -0.495 175.376 176.094 -0.370 0.000 1.047 339 V CA 1.689 63.860 62.300 -0.215 0.000 1.015 339 V CB -1.432 30.264 31.823 -0.211 0.000 0.642 339 V HN 0.338 nan 8.190 nan 0.000 0.446 340 P HA -0.168 nan 4.420 nan 0.000 0.218 340 P C 1.788 178.955 177.300 -0.223 0.000 1.148 340 P CA 1.376 64.326 63.100 -0.251 0.000 0.822 340 P CB -0.036 31.567 31.700 -0.162 0.000 0.784 341 Q N -0.813 118.880 119.800 -0.178 0.000 2.050 341 Q HA -0.122 4.218 4.340 -0.001 0.000 0.202 341 Q C 2.172 178.091 176.000 -0.135 0.000 0.980 341 Q CA 1.216 56.940 55.803 -0.132 0.000 0.840 341 Q CB -0.727 27.952 28.738 -0.098 0.000 0.898 341 Q HN 0.281 nan 8.270 nan 0.000 0.424 342 L N 0.483 121.595 121.223 -0.185 0.000 2.131 342 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 342 L C 2.385 179.170 176.870 -0.142 0.000 1.092 342 L CA 1.216 55.954 54.840 -0.170 0.000 0.759 342 L CB -0.243 41.690 42.059 -0.211 0.000 0.903 342 L HN 0.286 nan 8.230 nan 0.000 0.435 343 Q N -0.813 118.773 119.800 -0.357 0.000 2.172 343 Q HA -0.088 4.251 4.340 -0.001 0.000 0.200 343 Q C 2.057 177.992 176.000 -0.108 0.000 0.964 343 Q CA 1.262 56.863 55.803 -0.337 0.000 0.855 343 Q CB -0.161 28.253 28.738 -0.540 0.000 0.918 343 Q HN 0.567 nan 8.270 nan 0.000 0.444 344 G N -0.624 108.117 108.800 -0.098 0.000 3.088 344 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.217 344 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.217 344 G C 1.257 176.160 174.900 0.004 0.000 1.159 344 G CA -0.181 44.896 45.100 -0.038 0.000 0.760 344 G HN 0.053 nan 8.290 nan 0.000 0.550 345 M N 0.153 119.766 119.600 0.022 0.000 2.073 345 M HA -0.116 4.363 4.480 -0.001 0.000 0.258 345 M C 2.253 178.607 176.300 0.090 0.000 1.070 345 M CA 1.279 56.612 55.300 0.055 0.000 1.103 345 M CB -1.024 31.623 32.600 0.079 0.000 1.321 345 M HN 0.401 nan 8.290 nan 0.000 0.405 346 Y N 1.146 121.464 120.300 0.030 0.000 2.097 346 Y HA -0.264 4.285 4.550 -0.001 0.000 0.282 346 Y C 2.477 178.414 175.900 0.062 0.000 1.152 346 Y CA 2.030 60.153 58.100 0.039 0.000 1.136 346 Y CB -0.443 38.029 38.460 0.019 0.000 0.975 346 Y HN 0.150 nan 8.280 nan 0.000 0.498 347 R N -0.325 120.125 120.500 -0.082 0.000 2.073 347 R HA -0.128 4.212 4.340 -0.001 0.000 0.234 347 R C 2.642 178.890 176.300 -0.086 0.000 1.134 347 R CA 1.272 57.292 56.100 -0.133 0.000 0.952 347 R CB -1.070 29.233 30.300 0.004 0.000 0.850 347 R HN 0.547 nan 8.270 nan 0.000 0.433 348 G N 0.872 109.640 108.800 -0.052 0.000 2.446 348 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.217 348 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.217 348 G C 1.014 175.879 174.900 -0.057 0.000 1.168 348 G CA 1.324 46.396 45.100 -0.046 0.000 0.771 348 G HN 0.397 nan 8.290 nan 0.000 0.551 349 D N -1.317 119.047 120.400 -0.060 0.000 2.117 349 D HA -0.179 4.460 4.640 -0.001 0.000 0.198 349 D C 2.046 178.300 176.300 -0.077 0.000 0.982 349 D CA 0.768 54.740 54.000 -0.047 0.000 0.828 349 D CB -0.268 40.554 40.800 0.036 0.000 0.967 349 D HN 0.327 nan 8.370 nan 0.000 0.464 350 Y N 0.874 120.996 120.300 -0.297 0.000 2.114 350 Y HA -0.243 4.306 4.550 -0.001 0.000 0.282 350 Y C 2.160 177.971 175.900 -0.149 0.000 1.165 350 Y CA 2.047 59.969 58.100 -0.298 0.000 1.148 350 Y CB -0.696 37.447 38.460 -0.529 0.000 0.972 350 Y HN 0.077 nan 8.280 nan 0.000 0.504 351 A N 0.609 123.405 122.820 -0.040 0.000 1.883 351 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 351 A C 2.319 179.838 177.584 -0.108 0.000 1.186 351 A CA 2.107 54.110 52.037 -0.056 0.000 0.624 351 A CB -0.680 18.321 19.000 0.002 0.000 0.822 351 A HN 0.564 nan 8.150 nan 0.000 0.444 352 R N -1.068 119.373 120.500 -0.097 0.000 2.092 352 R HA -0.099 4.241 4.340 -0.001 0.000 0.231 352 R C 2.283 178.530 176.300 -0.088 0.000 1.119 352 R CA 1.549 57.597 56.100 -0.085 0.000 0.970 352 R CB -0.193 30.053 30.300 -0.089 0.000 0.864 352 R HN 0.419 nan 8.270 nan 0.000 0.440 353 K N 1.111 121.434 120.400 -0.129 0.000 2.076 353 K HA -0.064 4.255 4.320 -0.001 0.000 0.204 353 K C 1.935 178.438 176.600 -0.162 0.000 1.051 353 K CA 1.211 57.428 56.287 -0.117 0.000 0.949 353 K CB 0.007 32.441 32.500 -0.111 0.000 0.726 353 K HN -0.223 nan 8.250 nan 0.000 0.443 354 K N 0.304 120.495 120.400 -0.347 0.000 2.152 354 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 354 K C 1.681 178.228 176.600 -0.088 0.000 1.048 354 K CA 1.637 57.703 56.287 -0.368 0.000 0.933 354 K CB -0.440 31.658 32.500 -0.671 0.000 0.721 354 K HN 0.248 nan 8.250 nan 0.000 0.447 355 T N 1.514 116.066 114.554 -0.003 0.000 2.777 355 T HA -0.041 4.309 4.350 -0.001 0.000 0.266 355 T C 1.918 176.790 174.700 0.286 0.000 1.040 355 T CA 0.929 63.143 62.100 0.191 0.000 1.141 355 T CB -0.033 68.927 68.868 0.153 0.000 0.868 355 T HN 0.154 nan 8.240 nan 0.000 0.444 356 L N 0.717 122.040 121.223 0.168 0.000 2.131 356 L HA -0.066 4.273 4.340 -0.001 0.000 0.210 356 L C 2.521 179.525 176.870 0.223 0.000 1.092 356 L CA 0.709 55.679 54.840 0.216 0.000 0.759 356 L CB -0.475 41.660 42.059 0.126 0.000 0.903 356 L HN 0.160 nan 8.230 nan 0.000 0.435 357 V N -0.658 119.326 119.914 0.117 0.000 2.346 357 V HA -0.224 3.895 4.120 -0.001 0.000 0.244 357 V C 1.995 178.164 176.094 0.125 0.000 1.037 357 V CA 1.633 63.985 62.300 0.087 0.000 1.029 357 V CB -0.437 31.382 31.823 -0.006 0.000 0.663 357 V HN 0.402 nan 8.190 nan 0.000 0.454 358 D N -0.579 119.870 120.400 0.083 0.000 2.182 358 D HA -0.161 4.478 4.640 -0.001 0.000 0.201 358 D C 1.436 177.524 176.300 -0.353 0.000 0.986 358 D CA 1.521 55.507 54.000 -0.024 0.000 0.847 358 D CB -0.150 40.599 40.800 -0.084 0.000 0.942 358 D HN 0.583 nan 8.370 nan 0.000 0.467 359 Y N -0.523 119.592 120.300 -0.307 0.000 2.571 359 Y HA 0.354 4.903 4.550 -0.001 0.000 0.275 359 Y C 1.675 176.954 175.900 -1.035 0.000 1.179 359 Y CA -0.026 57.483 58.100 -0.985 0.000 1.242 359 Y CB 0.607 38.608 38.460 -0.765 0.000 1.126 359 Y HN -0.019 nan 8.280 nan 0.000 0.524 360 G N -0.560 107.982 108.800 -0.430 0.000 2.143 360 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.248 360 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.248 360 G C 0.669 175.352 174.900 -0.362 0.000 0.991 360 G CA 0.566 45.446 45.100 -0.367 0.000 0.689 360 G HN 0.461 nan 8.290 nan 0.000 0.522 361 F N 0.008 119.876 119.950 -0.137 0.000 2.473 361 F HA 0.364 4.891 4.527 -0.001 0.000 0.294 361 F C 1.775 177.547 175.800 -0.048 0.000 1.103 361 F CA 0.682 58.604 58.000 -0.130 0.000 1.442 361 F CB 0.227 39.158 39.000 -0.114 0.000 1.097 361 F HN 0.013 nan 8.300 nan 0.000 0.547 362 R N -0.084 120.506 120.500 0.150 0.000 2.774 362 R HA 0.472 4.811 4.340 -0.001 0.000 0.272 362 R C -0.949 175.389 176.300 0.063 0.000 1.000 362 R CA -0.873 55.273 56.100 0.077 0.000 0.906 362 R CB 1.515 31.846 30.300 0.052 0.000 1.227 362 R HN -0.003 nan 8.270 nan 0.000 0.468 363 L N 2.419 123.665 121.223 0.038 0.000 2.436 363 L HA 0.234 4.573 4.340 -0.001 0.000 0.265 363 L C -1.142 175.744 176.870 0.027 0.000 1.168 363 L CA -1.554 53.315 54.840 0.050 0.000 0.815 363 L CB 0.505 42.624 42.059 0.100 0.000 1.109 363 L HN 0.271 nan 8.230 nan 0.000 0.462 364 P HA -0.180 nan 4.420 nan 0.000 0.218 364 P C 1.442 178.755 177.300 0.021 0.000 1.146 364 P CA 1.263 64.352 63.100 -0.018 0.000 0.813 364 P CB 0.133 31.796 31.700 -0.062 0.000 0.778 365 S N -0.828 114.910 115.700 0.064 0.000 2.469 365 S HA -0.084 4.386 4.470 -0.001 0.000 0.238 365 S C 1.976 176.612 174.600 0.059 0.000 0.998 365 S CA 0.954 59.202 58.200 0.080 0.000 0.957 365 S CB -1.215 62.110 63.200 0.208 0.000 0.764 365 S HN 0.124 nan 8.310 nan 0.000 0.514 366 A N 1.672 124.508 122.820 0.027 0.000 2.121 366 A HA 0.246 4.566 4.320 -0.001 0.000 0.218 366 A C 2.102 179.693 177.584 0.013 0.000 1.154 366 A CA 0.780 52.811 52.037 -0.010 0.000 0.679 366 A CB -0.711 18.260 19.000 -0.048 0.000 0.795 366 A HN 0.569 nan 8.150 nan 0.000 0.458 367 L N -0.518 120.717 121.223 0.020 0.000 2.275 367 L HA -0.125 4.215 4.340 -0.001 0.000 0.215 367 L C 1.165 178.074 176.870 0.066 0.000 1.119 367 L CA 0.848 55.713 54.840 0.042 0.000 0.790 367 L CB -0.353 41.750 42.059 0.074 0.000 0.919 367 L HN 0.293 nan 8.230 nan 0.000 0.443 368 D N -0.406 120.020 120.400 0.044 0.000 2.349 368 D HA -0.061 4.578 4.640 -0.001 0.000 0.224 368 D C 0.502 176.807 176.300 0.008 0.000 1.029 368 D CA 0.499 54.516 54.000 0.029 0.000 0.879 368 D CB -0.161 40.643 40.800 0.007 0.000 0.906 368 D HN 0.178 nan 8.370 nan 0.000 0.528 369 N N 1.370 120.074 118.700 0.006 0.000 2.678 369 N HA 0.124 4.863 4.740 -0.001 0.000 0.231 369 N C -0.525 174.855 175.510 -0.216 0.000 1.038 369 N CA -0.396 52.644 53.050 -0.017 0.000 0.932 369 N CB 0.305 38.851 38.487 0.099 0.000 1.176 369 N HN 0.046 nan 8.380 nan 0.000 0.511 370 R N 1.346 121.589 120.500 -0.430 0.000 2.870 370 R HA 0.689 5.028 4.340 -0.001 0.000 0.262 370 R C -3.071 172.814 176.300 -0.692 0.000 1.112 370 R CA -1.717 54.008 56.100 -0.624 0.000 0.976 370 R CB 0.425 30.667 30.300 -0.096 0.000 1.261 370 R HN 0.119 nan 8.270 nan 0.000 0.453 371 P HA 0.276 nan 4.420 nan 0.000 0.279 371 P C -0.710 176.644 177.300 0.089 0.000 1.276 371 P CA -0.727 62.363 63.100 -0.017 0.000 0.801 371 P CB 0.559 32.358 31.700 0.166 0.000 1.127 372 L N 0.580 121.882 121.223 0.132 0.000 2.399 372 L HA 0.397 4.736 4.340 -0.001 0.000 0.266 372 L C 1.151 178.103 176.870 0.136 0.000 1.114 372 L CA -0.600 54.315 54.840 0.125 0.000 0.804 372 L CB 0.377 42.545 42.059 0.181 0.000 1.146 372 L HN 0.272 nan 8.230 nan 0.000 0.451 373 R N 0.236 120.755 120.500 0.032 0.000 2.615 373 R HA 0.060 4.400 4.340 -0.001 0.000 0.270 373 R C 0.743 177.130 176.300 0.145 0.000 1.081 373 R CA -0.470 55.636 56.100 0.011 0.000 1.154 373 R CB 0.474 30.664 30.300 -0.182 0.000 1.063 373 R HN 0.448 nan 8.270 nan 0.000 0.519 374 F N 1.898 121.847 119.950 -0.001 0.000 2.091 374 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 374 F C 1.916 177.768 175.800 0.087 0.000 1.103 374 F CA 1.880 59.890 58.000 0.016 0.000 1.228 374 F CB 0.057 39.018 39.000 -0.066 0.000 0.984 374 F HN 0.521 nan 8.300 nan 0.000 0.477 375 E N 0.430 120.643 120.200 0.022 0.000 2.153 375 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 375 E C 2.109 178.669 176.600 -0.066 0.000 0.988 375 E CA 1.432 57.791 56.400 -0.069 0.000 0.811 375 E CB -0.400 29.299 29.700 -0.001 0.000 0.746 375 E HN 0.636 nan 8.360 nan 0.000 0.466 376 E N -0.213 119.975 120.200 -0.020 0.000 2.107 376 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 376 E C 1.894 178.499 176.600 0.008 0.000 0.982 376 E CA 0.508 56.898 56.400 -0.017 0.000 0.809 376 E CB -0.251 29.442 29.700 -0.012 0.000 0.756 376 E HN 0.170 nan 8.360 nan 0.000 0.459 377 F N 1.749 121.638 119.950 -0.101 0.000 2.102 377 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 377 F C 1.921 177.633 175.800 -0.146 0.000 1.105 377 F CA 1.294 59.241 58.000 -0.089 0.000 1.239 377 F CB -0.144 38.814 39.000 -0.070 0.000 0.991 377 F HN -0.106 nan 8.300 nan 0.000 0.474 378 L N 0.031 121.121 121.223 -0.222 0.000 2.191 378 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 378 L C 2.203 178.935 176.870 -0.231 0.000 1.103 378 L CA 1.483 56.160 54.840 -0.272 0.000 0.769 378 L CB -0.724 41.201 42.059 -0.224 0.000 0.908 378 L HN 0.221 nan 8.230 nan 0.000 0.438 379 E N -0.346 119.751 120.200 -0.171 0.000 2.347 379 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 379 E C 1.709 178.225 176.600 -0.139 0.000 1.008 379 E CA 0.334 56.657 56.400 -0.127 0.000 0.852 379 E CB 0.241 29.892 29.700 -0.082 0.000 0.783 379 E HN 0.338 nan 8.360 nan 0.000 0.505 380 R N 0.321 120.705 120.500 -0.193 0.000 2.362 380 R HA 0.109 4.449 4.340 -0.001 0.000 0.227 380 R C 0.685 176.889 176.300 -0.159 0.000 0.905 380 R CA 0.181 56.198 56.100 -0.138 0.000 1.067 380 R CB 0.354 30.594 30.300 -0.100 0.000 1.078 380 R HN 0.049 nan 8.270 nan 0.000 0.516 381 V N -1.976 117.724 119.914 -0.358 0.000 3.019 381 V HA 0.540 4.660 4.120 -0.001 0.000 0.317 381 V C 1.091 176.910 176.094 -0.458 0.000 1.094 381 V CA -0.489 61.505 62.300 -0.509 0.000 1.000 381 V CB 2.207 33.620 31.823 -0.683 0.000 1.060 381 V HN 0.071 nan 8.190 nan 0.000 0.443 382 S N 1.450 116.813 115.700 -0.562 0.000 2.655 382 S HA 0.328 4.797 4.470 -0.001 0.000 0.231 382 S C 0.509 174.832 174.600 -0.460 0.000 1.044 382 S CA -0.178 57.765 58.200 -0.430 0.000 0.910 382 S CB -0.186 62.795 63.200 -0.364 0.000 0.833 382 S HN 0.842 nan 8.310 nan 0.000 0.581 383 Q N 0.515 120.017 119.800 -0.496 0.000 2.365 383 Q HA 0.752 5.091 4.340 -0.001 0.000 0.269 383 Q C -1.898 173.809 176.000 -0.488 0.000 1.061 383 Q CA -0.748 54.777 55.803 -0.463 0.000 0.816 383 Q CB 2.762 31.279 28.738 -0.367 0.000 1.325 383 Q HN 0.267 nan 8.270 nan 0.000 0.446 384 V N 2.112 121.756 119.914 -0.451 0.000 2.638 384 V HA 0.396 4.515 4.120 -0.001 0.000 0.306 384 V C -0.705 175.056 176.094 -0.555 0.000 1.052 384 V CA -0.788 61.226 62.300 -0.476 0.000 0.885 384 V CB 2.087 33.690 31.823 -0.366 0.000 0.999 384 V HN 0.523 nan 8.190 nan 0.000 0.424 385 V N 5.280 124.814 119.914 -0.633 0.000 2.328 385 V HA 0.468 4.588 4.120 -0.001 0.000 0.278 385 V C -0.429 175.483 176.094 -0.303 0.000 1.021 385 V CA -0.408 61.600 62.300 -0.486 0.000 0.838 385 V CB 0.955 32.362 31.823 -0.693 0.000 0.999 385 V HN 0.655 nan 8.190 nan 0.000 0.447 386 F N 3.808 123.816 119.950 0.097 0.000 2.396 386 F HA 0.542 5.069 4.527 -0.001 0.000 0.343 386 F C 0.285 176.177 175.800 0.153 0.000 1.104 386 F CA -0.543 57.545 58.000 0.148 0.000 1.161 386 F CB 1.362 40.461 39.000 0.165 0.000 1.146 386 F HN 0.173 nan 8.300 nan 0.000 0.522 387 V N 2.642 122.765 119.914 0.350 0.000 2.444 387 V HA 0.669 4.788 4.120 -0.001 0.000 0.294 387 V C -0.466 175.777 176.094 0.248 0.000 1.022 387 V CA -0.419 62.044 62.300 0.271 0.000 0.850 387 V CB 1.530 33.512 31.823 0.265 0.000 0.992 387 V HN 0.813 nan 8.190 nan 0.000 0.426 388 S N 2.902 118.721 115.700 0.198 0.000 2.586 388 S HA 0.634 5.103 4.470 -0.001 0.000 0.277 388 S C 0.476 175.118 174.600 0.070 0.000 1.131 388 S CA 0.332 58.639 58.200 0.178 0.000 0.848 388 S CB 1.827 65.181 63.200 0.256 0.000 1.091 388 S HN 1.086 nan 8.310 nan 0.000 0.453 389 A N 1.578 124.403 122.820 0.008 0.000 2.123 389 A HA 0.324 4.643 4.320 -0.001 0.000 0.214 389 A C 1.009 178.532 177.584 -0.102 0.000 1.152 389 A CA 1.311 53.325 52.037 -0.038 0.000 0.728 389 A CB -0.362 18.614 19.000 -0.040 0.000 0.814 389 A HN 1.472 nan 8.150 nan 0.000 0.464 390 T N -1.566 112.867 114.554 -0.202 0.000 3.583 390 T HA 0.389 4.739 4.350 -0.001 0.000 0.266 390 T C -3.192 171.387 174.700 -0.201 0.000 1.296 390 T CA -1.697 60.255 62.100 -0.245 0.000 1.668 390 T CB 0.905 69.546 68.868 -0.378 0.000 0.832 390 T HN 0.072 nan 8.240 nan 0.000 0.649 391 P HA 0.199 nan 4.420 nan 0.000 0.263 391 P C 0.873 178.172 177.300 -0.001 0.000 1.175 391 P CA 0.417 63.524 63.100 0.011 0.000 0.761 391 P CB 0.537 32.246 31.700 0.016 0.000 0.794 392 G N 3.853 112.676 108.800 0.039 0.000 2.621 392 G HA2 0.242 4.202 3.960 -0.001 0.000 0.271 392 G HA3 0.242 4.202 3.960 -0.001 0.000 0.271 392 G C -1.302 173.589 174.900 -0.015 0.000 1.236 392 G CA -1.212 43.909 45.100 0.036 0.000 0.958 392 G HN 0.297 nan 8.290 nan 0.000 0.512 393 P HA -0.206 nan 4.420 nan 0.000 0.216 393 P C 1.629 178.910 177.300 -0.030 0.000 1.153 393 P CA 1.095 64.185 63.100 -0.017 0.000 0.858 393 P CB 0.041 31.744 31.700 0.006 0.000 0.789 394 F N 2.643 122.520 119.950 -0.121 0.000 2.075 394 F HA -0.200 4.326 4.527 -0.001 0.000 0.297 394 F C 2.406 178.071 175.800 -0.226 0.000 1.113 394 F CA 1.981 59.923 58.000 -0.096 0.000 1.218 394 F CB -0.523 38.377 39.000 -0.167 0.000 0.984 394 F HN -0.123 nan 8.300 nan 0.000 0.472 395 E N 0.644 120.661 120.200 -0.305 0.000 2.110 395 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 395 E C 2.286 178.733 176.600 -0.256 0.000 0.988 395 E CA 1.687 57.738 56.400 -0.583 0.000 0.804 395 E CB -1.157 28.140 29.700 -0.671 0.000 0.745 395 E HN 0.498 nan 8.360 nan 0.000 0.458 396 L N 0.514 121.630 121.223 -0.177 0.000 2.156 396 L HA -0.002 4.338 4.340 -0.001 0.000 0.208 396 L C 2.630 179.401 176.870 -0.165 0.000 1.095 396 L CA 0.965 55.732 54.840 -0.122 0.000 0.770 396 L CB -0.374 41.632 42.059 -0.089 0.000 0.914 396 L HN 0.160 nan 8.230 nan 0.000 0.439 397 A N -1.500 121.162 122.820 -0.264 0.000 2.021 397 A HA -0.094 4.225 4.320 -0.001 0.000 0.216 397 A C 1.937 179.216 177.584 -0.508 0.000 1.163 397 A CA 0.760 52.566 52.037 -0.385 0.000 0.676 397 A CB -0.355 18.349 19.000 -0.492 0.000 0.818 397 A HN 0.405 nan 8.150 nan 0.000 0.453 398 H N -0.616 118.204 119.070 -0.416 0.000 2.604 398 H HA 0.193 4.749 4.556 -0.001 0.000 0.273 398 H C 0.200 175.500 175.328 -0.046 0.000 0.971 398 H CA 0.380 56.209 56.048 -0.365 0.000 1.249 398 H CB 0.216 29.427 29.762 -0.918 0.000 1.449 398 H HN 0.322 nan 8.280 nan 0.000 0.512 399 S N 0.671 116.442 115.700 0.117 0.000 2.537 399 S HA 0.072 4.541 4.470 -0.001 0.000 0.286 399 S C 1.534 176.234 174.600 0.166 0.000 1.299 399 S CA 0.127 58.480 58.200 0.255 0.000 1.067 399 S CB 1.142 64.479 63.200 0.229 0.000 0.864 399 S HN 0.518 nan 8.310 nan 0.000 0.494 400 G N 1.773 110.684 108.800 0.185 0.000 2.813 400 G HA2 0.143 4.103 3.960 -0.001 0.000 0.209 400 G HA3 0.143 4.103 3.960 -0.001 0.000 0.209 400 G C 0.429 175.374 174.900 0.075 0.000 1.150 400 G CA 0.064 45.228 45.100 0.106 0.000 0.785 400 G HN 0.537 nan 8.290 nan 0.000 0.535 401 R N -0.919 119.636 120.500 0.092 0.000 2.561 401 R HA 0.496 4.836 4.340 -0.001 0.000 0.266 401 R C -2.035 174.315 176.300 0.084 0.000 1.091 401 R CA -0.394 55.747 56.100 0.069 0.000 0.927 401 R CB 1.675 32.006 30.300 0.053 0.000 1.240 401 R HN -0.122 nan 8.270 nan 0.000 0.449 402 V N 4.765 124.717 119.914 0.063 0.000 2.444 402 V HA 0.549 4.668 4.120 -0.001 0.000 0.294 402 V C -0.806 175.319 176.094 0.052 0.000 1.022 402 V CA -0.739 61.601 62.300 0.067 0.000 0.850 402 V CB 1.922 33.776 31.823 0.050 0.000 0.992 402 V HN 0.552 nan 8.190 nan 0.000 0.426 403 V N 5.652 125.601 119.914 0.059 0.000 2.409 403 V HA 0.493 4.613 4.120 -0.001 0.000 0.291 403 V C -0.018 176.102 176.094 0.044 0.000 1.020 403 V CA -0.619 61.709 62.300 0.046 0.000 0.848 403 V CB 1.728 33.580 31.823 0.048 0.000 0.990 403 V HN 1.034 nan 8.190 nan 0.000 0.430 404 E N 4.467 124.684 120.200 0.029 0.000 2.235 404 E HA 0.737 5.087 4.350 -0.001 0.000 0.265 404 E C -0.974 175.631 176.600 0.007 0.000 0.940 404 E CA -1.078 55.334 56.400 0.021 0.000 0.819 404 E CB 1.907 31.614 29.700 0.012 0.000 1.206 404 E HN 0.702 nan 8.360 nan 0.000 0.409 405 Q N 2.068 121.867 119.800 -0.001 0.000 2.275 405 Q HA 0.335 4.674 4.340 -0.001 0.000 0.266 405 Q C -0.708 175.270 176.000 -0.036 0.000 1.002 405 Q CA -0.726 55.062 55.803 -0.025 0.000 0.761 405 Q CB 1.219 29.944 28.738 -0.021 0.000 1.255 405 Q HN 0.591 nan 8.270 nan 0.000 0.446 406 I N 1.285 121.821 120.570 -0.056 0.000 3.718 406 I HA 0.153 4.322 4.170 -0.001 0.000 0.297 406 I C 0.475 176.536 176.117 -0.093 0.000 1.220 406 I CA -0.180 61.086 61.300 -0.057 0.000 1.381 406 I CB 0.142 38.118 38.000 -0.040 0.000 1.238 406 I HN 0.627 nan 8.210 nan 0.000 0.448 407 I N 2.725 123.200 120.570 -0.159 0.000 2.517 407 I HA 0.059 4.229 4.170 -0.001 0.000 0.285 407 I C 0.944 176.922 176.117 -0.232 0.000 1.106 407 I CA 0.368 61.508 61.300 -0.267 0.000 1.402 407 I CB -0.091 37.557 38.000 -0.587 0.000 1.399 407 I HN -0.016 nan 8.210 nan 0.000 0.535 408 R N 7.556 127.958 120.500 -0.164 0.000 2.459 408 R HA 0.242 4.582 4.340 -0.001 0.000 0.281 408 R C -1.466 174.766 176.300 -0.114 0.000 1.050 408 R CA -1.330 54.702 56.100 -0.112 0.000 1.055 408 R CB 0.292 30.554 30.300 -0.064 0.000 1.045 408 R HN 0.341 nan 8.270 nan 0.000 0.495 409 P HA -0.178 nan 4.420 nan 0.000 0.216 409 P C 1.109 178.393 177.300 -0.027 0.000 1.150 409 P CA 1.476 64.542 63.100 -0.058 0.000 0.837 409 P CB 0.199 31.875 31.700 -0.041 0.000 0.786 410 T N -5.426 109.114 114.554 -0.024 0.000 3.023 410 T HA 0.145 4.495 4.350 -0.001 0.000 0.266 410 T C 1.696 176.401 174.700 0.009 0.000 1.093 410 T CA 0.900 62.996 62.100 -0.007 0.000 1.129 410 T CB -1.014 67.847 68.868 -0.013 0.000 0.899 410 T HN 0.238 nan 8.240 nan 0.000 0.491 411 G N 1.121 109.925 108.800 0.006 0.000 2.176 411 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.253 411 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.253 411 G C 0.017 174.932 174.900 0.026 0.000 0.979 411 G CA 0.096 45.219 45.100 0.039 0.000 0.641 411 G HN 0.633 nan 8.290 nan 0.000 0.530 412 L N 0.428 121.654 121.223 0.005 0.000 2.485 412 L HA 0.339 4.679 4.340 -0.001 0.000 0.275 412 L C 0.796 177.667 176.870 0.001 0.000 1.207 412 L CA -0.619 54.222 54.840 0.002 0.000 0.855 412 L CB 0.370 42.424 42.059 -0.009 0.000 1.114 412 L HN 0.044 nan 8.230 nan 0.000 0.485 413 L N 2.366 123.593 121.223 0.006 0.000 2.343 413 L HA 0.279 4.619 4.340 -0.001 0.000 0.275 413 L C -0.009 176.860 176.870 -0.001 0.000 1.056 413 L CA -0.160 54.684 54.840 0.006 0.000 0.804 413 L CB 0.986 43.053 42.059 0.015 0.000 1.203 413 L HN 0.446 nan 8.230 nan 0.000 0.440 414 D N 3.763 124.161 120.400 -0.003 0.000 2.423 414 D HA 0.154 4.793 4.640 -0.001 0.000 0.238 414 D C -2.088 174.211 176.300 -0.002 0.000 1.142 414 D CA -0.397 53.599 54.000 -0.007 0.000 0.884 414 D CB 0.407 41.202 40.800 -0.008 0.000 1.199 414 D HN 0.316 nan 8.370 nan 0.000 0.438 415 P HA 0.055 nan 4.420 nan 0.000 0.272 415 P C -0.463 176.846 177.300 0.015 0.000 1.240 415 P CA -0.315 62.787 63.100 0.002 0.000 0.791 415 P CB 0.703 32.398 31.700 -0.008 0.000 0.978 416 L N 0.674 121.915 121.223 0.030 0.000 2.349 416 L HA 0.280 4.619 4.340 -0.001 0.000 0.275 416 L C 0.216 177.123 176.870 0.061 0.000 1.115 416 L CA -0.678 54.188 54.840 0.043 0.000 0.820 416 L CB 0.872 42.967 42.059 0.059 0.000 1.135 416 L HN 0.111 nan 8.230 nan 0.000 0.445 417 V N 3.937 123.879 119.914 0.046 0.000 2.448 417 V HA 0.494 4.614 4.120 -0.001 0.000 0.295 417 V C -0.100 176.016 176.094 0.038 0.000 1.025 417 V CA -0.690 61.642 62.300 0.053 0.000 0.859 417 V CB 1.658 33.493 31.823 0.021 0.000 0.988 417 V HN 0.721 nan 8.190 nan 0.000 0.431 418 R N 2.859 123.392 120.500 0.054 0.000 2.711 418 R HA 0.816 5.156 4.340 -0.001 0.000 0.284 418 R C -1.419 174.818 176.300 -0.105 0.000 0.968 418 R CA -0.805 55.264 56.100 -0.051 0.000 0.924 418 R CB 2.571 32.784 30.300 -0.146 0.000 1.162 418 R HN 0.486 nan 8.270 nan 0.000 0.465 419 V N 2.745 122.579 119.914 -0.133 0.000 2.417 419 V HA 0.386 4.505 4.120 -0.001 0.000 0.291 419 V C -0.353 175.625 176.094 -0.193 0.000 1.024 419 V CA -0.659 61.558 62.300 -0.138 0.000 0.861 419 V CB 1.500 33.275 31.823 -0.079 0.000 0.985 419 V HN 0.648 nan 8.190 nan 0.000 0.436 420 K N 5.183 125.431 120.400 -0.253 0.000 2.318 420 K HA 0.582 4.901 4.320 -0.001 0.000 0.249 420 K C -2.835 173.746 176.600 -0.032 0.000 0.942 420 K CA -1.973 54.181 56.287 -0.221 0.000 0.808 420 K CB 2.373 34.619 32.500 -0.424 0.000 1.189 420 K HN 0.316 nan 8.250 nan 0.000 0.428 421 P HA -0.059 nan 4.420 nan 0.000 0.270 421 P C 0.640 178.027 177.300 0.145 0.000 1.223 421 P CA -0.013 63.121 63.100 0.057 0.000 0.785 421 P CB 0.487 32.199 31.700 0.020 0.000 0.923 422 T N -2.337 112.272 114.554 0.091 0.000 3.023 422 T HA -0.059 4.291 4.350 -0.001 0.000 0.266 422 T C 0.624 175.329 174.700 0.007 0.000 1.093 422 T CA 0.249 62.386 62.100 0.063 0.000 1.129 422 T CB -0.589 68.294 68.868 0.025 0.000 0.899 422 T HN 0.441 nan 8.240 nan 0.000 0.491 423 E N 1.677 121.884 120.200 0.011 0.000 2.415 423 E HA 0.060 4.410 4.350 -0.001 0.000 0.260 423 E C -0.317 176.276 176.600 -0.011 0.000 1.016 423 E CA -0.060 56.334 56.400 -0.010 0.000 0.924 423 E CB -0.196 29.500 29.700 -0.007 0.000 0.961 423 E HN 0.359 nan 8.360 nan 0.000 0.459 424 N N 2.863 121.540 118.700 -0.038 0.000 2.747 424 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 424 N C 0.214 175.693 175.510 -0.052 0.000 1.107 424 N CA 1.179 54.205 53.050 -0.041 0.000 0.707 424 N CB -0.706 37.773 38.487 -0.014 0.000 1.054 424 N HN 0.638 nan 8.380 nan 0.000 0.555 425 Q N -0.243 119.485 119.800 -0.120 0.000 2.030 425 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 425 Q C 1.749 177.556 176.000 -0.321 0.000 0.986 425 Q CA 1.475 57.086 55.803 -0.319 0.000 0.843 425 Q CB -0.022 28.379 28.738 -0.562 0.000 0.904 425 Q HN 0.490 nan 8.270 nan 0.000 0.420 426 I N 0.572 120.992 120.570 -0.249 0.000 2.208 426 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 426 I C 2.335 178.432 176.117 -0.034 0.000 1.097 426 I CA 1.011 62.211 61.300 -0.168 0.000 1.363 426 I CB -1.169 36.686 38.000 -0.241 0.000 1.051 426 I HN 0.272 nan 8.210 nan 0.000 0.413 427 L N 1.316 122.526 121.223 -0.022 0.000 2.056 427 L HA -0.216 4.123 4.340 -0.001 0.000 0.207 427 L C 2.142 179.055 176.870 0.073 0.000 1.078 427 L CA 2.068 56.929 54.840 0.036 0.000 0.749 427 L CB -0.939 41.133 42.059 0.022 0.000 0.901 427 L HN 0.249 nan 8.230 nan 0.000 0.433 428 D N -1.072 119.374 120.400 0.077 0.000 2.097 428 D HA -0.244 4.396 4.640 -0.001 0.000 0.195 428 D C 2.317 178.796 176.300 0.298 0.000 0.989 428 D CA 1.431 55.521 54.000 0.150 0.000 0.827 428 D CB -0.146 40.754 40.800 0.166 0.000 0.966 428 D HN 0.397 nan 8.370 nan 0.000 0.456 429 L N -0.131 121.264 121.223 0.287 0.000 1.994 429 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 429 L C 2.456 179.469 176.870 0.238 0.000 1.071 429 L CA 1.305 56.362 54.840 0.361 0.000 0.745 429 L CB -0.365 41.786 42.059 0.154 0.000 0.892 429 L HN 0.298 nan 8.230 nan 0.000 0.431 430 M N -0.278 119.415 119.600 0.154 0.000 2.108 430 M HA -0.286 4.193 4.480 -0.001 0.000 0.261 430 M C 1.976 178.349 176.300 0.122 0.000 1.066 430 M CA 1.950 57.322 55.300 0.120 0.000 1.107 430 M CB -0.074 32.583 32.600 0.094 0.000 1.356 430 M HN 0.235 nan 8.290 nan 0.000 0.406 431 E N -0.834 119.451 120.200 0.141 0.000 2.150 431 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 431 E C 1.963 178.667 176.600 0.173 0.000 0.985 431 E CA 1.033 57.513 56.400 0.133 0.000 0.814 431 E CB -0.343 29.429 29.700 0.120 0.000 0.752 431 E HN 0.725 nan 8.360 nan 0.000 0.466 432 G N 1.491 110.455 108.800 0.273 0.000 2.402 432 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.216 432 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.216 432 G C 1.618 176.578 174.900 0.099 0.000 1.162 432 G CA 0.399 45.690 45.100 0.318 0.000 0.777 432 G HN 0.097 nan 8.290 nan 0.000 0.539 433 I N 0.095 120.711 120.570 0.077 0.000 2.202 433 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 433 I C 3.038 179.177 176.117 0.037 0.000 1.091 433 I CA 0.864 62.180 61.300 0.026 0.000 1.368 433 I CB -0.183 37.844 38.000 0.045 0.000 1.058 433 I HN 0.070 nan 8.210 nan 0.000 0.410 434 R N 0.465 121.000 120.500 0.059 0.000 2.096 434 R HA -0.215 4.125 4.340 -0.001 0.000 0.235 434 R C 2.219 178.546 176.300 0.045 0.000 1.127 434 R CA 1.548 57.679 56.100 0.051 0.000 0.968 434 R CB -0.414 29.920 30.300 0.057 0.000 0.861 434 R HN 0.451 nan 8.270 nan 0.000 0.440 435 E N 1.180 121.416 120.200 0.059 0.000 2.058 435 E HA -0.224 4.126 4.350 -0.001 0.000 0.194 435 E C 2.009 178.630 176.600 0.034 0.000 0.997 435 E CA 1.287 57.720 56.400 0.055 0.000 0.801 435 E CB 0.117 29.867 29.700 0.084 0.000 0.746 435 E HN 0.264 nan 8.360 nan 0.000 0.450 436 R N -0.104 120.409 120.500 0.021 0.000 2.075 436 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 436 R C 2.452 178.748 176.300 -0.006 0.000 1.126 436 R CA 1.043 57.140 56.100 -0.005 0.000 0.963 436 R CB -0.282 29.993 30.300 -0.040 0.000 0.858 436 R HN 0.174 nan 8.270 nan 0.000 0.435 437 A N 1.254 124.075 122.820 0.001 0.000 1.972 437 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 437 A C 2.331 179.919 177.584 0.006 0.000 1.169 437 A CA 1.609 53.648 52.037 0.003 0.000 0.635 437 A CB -0.567 18.443 19.000 0.017 0.000 0.810 437 A HN 0.401 nan 8.150 nan 0.000 0.446 438 A N 0.700 123.528 122.820 0.013 0.000 1.940 438 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 438 A C 1.996 179.585 177.584 0.007 0.000 1.176 438 A CA 1.532 53.578 52.037 0.013 0.000 0.631 438 A CB -0.374 18.638 19.000 0.020 0.000 0.814 438 A HN 0.707 nan 8.150 nan 0.000 0.446 439 R N -1.796 118.707 120.500 0.004 0.000 2.609 439 R HA 0.438 4.778 4.340 -0.001 0.000 0.326 439 R C 0.806 177.100 176.300 -0.010 0.000 1.090 439 R CA 0.410 56.509 56.100 -0.001 0.000 1.072 439 R CB -0.597 29.704 30.300 0.003 0.000 1.330 439 R HN 0.693 nan 8.270 nan 0.000 0.572 440 G N 0.795 109.586 108.800 -0.014 0.000 2.147 440 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.244 440 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.244 440 G C -0.473 174.404 174.900 -0.037 0.000 1.005 440 G CA 0.114 45.198 45.100 -0.026 0.000 0.713 440 G HN 0.528 nan 8.290 nan 0.000 0.515 441 E N 0.031 120.210 120.200 -0.036 0.000 2.202 441 E HA 0.639 4.989 4.350 -0.001 0.000 0.272 441 E C 0.373 176.939 176.600 -0.057 0.000 0.951 441 E CA -1.073 55.298 56.400 -0.049 0.000 0.813 441 E CB 1.130 30.802 29.700 -0.046 0.000 1.151 441 E HN 0.216 nan 8.360 nan 0.000 0.398 442 R N 1.005 121.460 120.500 -0.073 0.000 2.674 442 R HA 0.580 4.919 4.340 -0.001 0.000 0.266 442 R C -0.470 175.781 176.300 -0.081 0.000 1.016 442 R CA -0.684 55.369 56.100 -0.078 0.000 1.062 442 R CB 1.169 31.405 30.300 -0.106 0.000 1.142 442 R HN 0.422 nan 8.270 nan 0.000 0.517 443 T N 1.395 115.912 114.554 -0.062 0.000 2.886 443 T HA 0.444 4.793 4.350 -0.001 0.000 0.292 443 T C -0.772 173.913 174.700 -0.025 0.000 1.012 443 T CA -0.601 61.456 62.100 -0.072 0.000 0.982 443 T CB 1.543 70.365 68.868 -0.076 0.000 1.018 443 T HN 0.062 nan 8.240 nan 0.000 0.451 444 L N 3.267 124.470 121.223 -0.033 0.000 2.329 444 L HA 0.761 5.101 4.340 -0.001 0.000 0.279 444 L C -0.716 176.164 176.870 0.016 0.000 1.014 444 L CA -0.575 54.270 54.840 0.008 0.000 0.814 444 L CB 1.838 43.896 42.059 -0.001 0.000 1.257 444 L HN 0.462 nan 8.230 nan 0.000 0.424 445 V N 1.557 121.501 119.914 0.050 0.000 2.638 445 V HA 0.578 4.697 4.120 -0.001 0.000 0.306 445 V C -0.292 175.842 176.094 0.067 0.000 1.052 445 V CA -0.670 61.666 62.300 0.060 0.000 0.885 445 V CB 2.049 33.910 31.823 0.064 0.000 0.999 445 V HN 0.765 nan 8.190 nan 0.000 0.424 446 T N 4.323 118.916 114.554 0.066 0.000 2.792 446 T HA 0.747 5.097 4.350 -0.001 0.000 0.280 446 T C -0.606 174.126 174.700 0.054 0.000 0.990 446 T CA -0.325 61.812 62.100 0.062 0.000 0.960 446 T CB 1.193 70.093 68.868 0.053 0.000 0.939 446 T HN 0.875 nan 8.240 nan 0.000 0.439 447 V N 3.589 123.529 119.914 0.042 0.000 3.166 447 V HA 0.673 4.793 4.120 -0.001 0.000 0.317 447 V C 0.300 176.408 176.094 0.023 0.000 1.136 447 V CA -0.925 61.388 62.300 0.022 0.000 1.035 447 V CB 1.429 33.248 31.823 -0.006 0.000 1.110 447 V HN 0.693 nan 8.190 nan 0.000 0.450 448 L N 1.130 122.359 121.223 0.010 0.000 2.463 448 L HA 0.319 4.659 4.340 -0.001 0.000 0.219 448 L C 1.284 178.152 176.870 -0.003 0.000 1.088 448 L CA 1.737 56.582 54.840 0.008 0.000 0.849 448 L CB -0.205 41.857 42.059 0.006 0.000 1.012 448 L HN 1.161 nan 8.230 nan 0.000 0.468 449 T N -6.164 108.385 114.554 -0.008 0.000 2.930 449 T HA 0.429 4.779 4.350 -0.001 0.000 0.290 449 T C 1.104 175.805 174.700 0.003 0.000 1.052 449 T CA -0.485 61.608 62.100 -0.012 0.000 1.017 449 T CB 1.737 70.596 68.868 -0.015 0.000 1.137 449 T HN -0.265 nan 8.240 nan 0.000 0.511 450 V N 1.098 121.026 119.914 0.024 0.000 2.427 450 V HA -0.057 4.062 4.120 -0.001 0.000 0.248 450 V C 2.968 179.086 176.094 0.040 0.000 1.051 450 V CA 2.051 64.412 62.300 0.102 0.000 1.048 450 V CB -0.927 31.001 31.823 0.175 0.000 0.666 450 V HN 0.957 nan 8.190 nan 0.000 0.456 451 R N -0.175 120.334 120.500 0.016 0.000 2.081 451 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 451 R C 2.312 178.577 176.300 -0.059 0.000 1.131 451 R CA 1.894 57.988 56.100 -0.011 0.000 0.960 451 R CB -0.255 30.041 30.300 -0.007 0.000 0.856 451 R HN 0.409 nan 8.270 nan 0.000 0.436 452 M N 0.055 119.618 119.600 -0.061 0.000 2.086 452 M HA -0.124 4.356 4.480 -0.001 0.000 0.261 452 M C 2.511 178.733 176.300 -0.131 0.000 1.067 452 M CA 1.881 57.132 55.300 -0.083 0.000 1.116 452 M CB -0.296 32.267 32.600 -0.061 0.000 1.348 452 M HN 0.340 nan 8.290 nan 0.000 0.407 453 A N 0.233 122.950 122.820 -0.172 0.000 1.902 453 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 453 A C 1.930 179.150 177.584 -0.606 0.000 1.181 453 A CA 1.865 53.694 52.037 -0.347 0.000 0.623 453 A CB -0.719 18.079 19.000 -0.335 0.000 0.818 453 A HN 0.527 nan 8.150 nan 0.000 0.443 454 E N -0.348 119.528 120.200 -0.540 0.000 2.031 454 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 454 E C 2.097 178.592 176.600 -0.175 0.000 0.994 454 E CA 1.476 57.645 56.400 -0.386 0.000 0.800 454 E CB -0.180 29.447 29.700 -0.121 0.000 0.752 454 E HN 0.733 nan 8.360 nan 0.000 0.447 455 E N 0.432 120.566 120.200 -0.110 0.000 2.106 455 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 455 E C 2.181 178.782 176.600 0.002 0.000 0.984 455 E CA 0.551 56.928 56.400 -0.038 0.000 0.806 455 E CB -0.062 29.608 29.700 -0.049 0.000 0.750 455 E HN 0.105 nan 8.360 nan 0.000 0.458 456 L N 1.287 122.482 121.223 -0.046 0.000 2.056 456 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 456 L C 2.201 179.116 176.870 0.075 0.000 1.078 456 L CA 1.936 56.784 54.840 0.012 0.000 0.749 456 L CB -0.782 41.254 42.059 -0.037 0.000 0.901 456 L HN 0.002 nan 8.230 nan 0.000 0.433 457 T N -0.537 114.010 114.554 -0.011 0.000 2.652 457 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 457 T C 2.032 176.767 174.700 0.059 0.000 1.039 457 T CA 1.900 64.010 62.100 0.017 0.000 1.153 457 T CB -0.561 68.288 68.868 -0.033 0.000 0.863 457 T HN 0.681 nan 8.240 nan 0.000 0.428 458 S N 1.424 117.157 115.700 0.055 0.000 2.382 458 S HA -0.114 4.356 4.470 -0.001 0.000 0.228 458 S C 1.853 176.528 174.600 0.125 0.000 1.027 458 S CA 0.876 59.119 58.200 0.072 0.000 0.991 458 S CB -0.992 62.246 63.200 0.063 0.000 0.823 458 S HN 0.426 nan 8.310 nan 0.000 0.469 459 F N 2.623 122.597 119.950 0.039 0.000 2.134 459 F HA 0.050 4.577 4.527 -0.001 0.000 0.299 459 F C 1.984 177.889 175.800 0.176 0.000 1.097 459 F CA 1.220 59.284 58.000 0.107 0.000 1.264 459 F CB -0.393 38.625 39.000 0.030 0.000 1.001 459 F HN 0.135 nan 8.300 nan 0.000 0.479 460 L N -0.905 120.410 121.223 0.152 0.000 2.046 460 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 460 L C 2.374 179.259 176.870 0.024 0.000 1.077 460 L CA 0.999 55.881 54.840 0.070 0.000 0.747 460 L CB -1.012 41.110 42.059 0.105 0.000 0.896 460 L HN -0.008 nan 8.230 nan 0.000 0.432 461 V N 0.048 119.976 119.914 0.023 0.000 2.407 461 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 461 V C 2.176 178.236 176.094 -0.056 0.000 1.055 461 V CA 1.764 64.062 62.300 -0.003 0.000 1.049 461 V CB -0.514 31.310 31.823 0.002 0.000 0.662 461 V HN 0.480 nan 8.190 nan 0.000 0.455 462 E N -1.152 118.989 120.200 -0.099 0.000 2.478 462 E HA -0.092 4.257 4.350 -0.001 0.000 0.198 462 E C 0.928 177.257 176.600 -0.451 0.000 1.046 462 E CA 0.439 56.699 56.400 -0.233 0.000 0.870 462 E CB -0.048 29.508 29.700 -0.239 0.000 0.818 462 E HN 0.705 nan 8.360 nan 0.000 0.527 463 H N -0.609 118.307 119.070 -0.256 0.000 2.467 463 H HA 0.201 4.757 4.556 -0.001 0.000 0.275 463 H C 0.784 176.042 175.328 -0.117 0.000 1.131 463 H CA 0.343 56.251 56.048 -0.232 0.000 0.989 463 H CB 0.934 30.474 29.762 -0.369 0.000 1.696 463 H HN 0.270 nan 8.280 nan 0.000 0.574 464 G N 1.575 110.353 108.800 -0.036 0.000 2.143 464 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.248 464 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.248 464 G C 0.098 175.010 174.900 0.020 0.000 0.991 464 G CA 0.048 45.144 45.100 -0.007 0.000 0.689 464 G HN 0.383 nan 8.290 nan 0.000 0.522 465 I N -0.135 120.452 120.570 0.029 0.000 2.441 465 I HA 0.391 4.561 4.170 -0.001 0.000 0.295 465 I C 0.831 176.983 176.117 0.060 0.000 0.994 465 I CA -1.033 60.297 61.300 0.050 0.000 1.144 465 I CB 1.556 39.593 38.000 0.062 0.000 1.314 465 I HN -0.047 nan 8.210 nan 0.000 0.445 466 R N 5.116 125.667 120.500 0.086 0.000 2.893 466 R HA 0.492 4.831 4.340 -0.001 0.000 0.243 466 R C -0.439 175.965 176.300 0.173 0.000 1.481 466 R CA -0.218 55.953 56.100 0.119 0.000 1.250 466 R CB 0.238 30.632 30.300 0.156 0.000 1.213 466 R HN 0.643 nan 8.270 nan 0.000 0.609 467 A N 2.553 125.435 122.820 0.103 0.000 2.350 467 A HA 0.693 5.013 4.320 -0.001 0.000 0.324 467 A C -0.398 177.172 177.584 -0.023 0.000 1.118 467 A CA -0.898 51.203 52.037 0.106 0.000 0.783 467 A CB 1.161 20.220 19.000 0.098 0.000 1.236 467 A HN 0.366 nan 8.150 nan 0.000 0.457 468 R N 0.146 120.585 120.500 -0.101 0.000 2.854 468 R HA 0.424 4.763 4.340 -0.001 0.000 0.271 468 R C -1.720 174.618 176.300 0.063 0.000 0.996 468 R CA -0.665 55.324 56.100 -0.186 0.000 0.961 468 R CB 1.379 31.296 30.300 -0.638 0.000 1.182 468 R HN 0.726 nan 8.270 nan 0.000 0.479 469 Y N 1.617 121.885 120.300 -0.054 0.000 2.331 469 Y HA 0.347 4.897 4.550 -0.001 0.000 0.338 469 Y C -0.774 175.152 175.900 0.043 0.000 0.976 469 Y CA -1.736 56.377 58.100 0.021 0.000 1.137 469 Y CB 0.871 39.355 38.460 0.040 0.000 1.172 469 Y HN 0.449 nan 8.280 nan 0.000 0.478 470 L N 8.061 129.401 121.223 0.196 0.000 2.375 470 L HA 0.252 4.592 4.340 -0.001 0.000 0.276 470 L C -0.488 176.275 176.870 -0.178 0.000 1.162 470 L CA -0.041 54.804 54.840 0.009 0.000 0.991 470 L CB -0.931 41.185 42.059 0.095 0.000 1.315 470 L HN 0.765 nan 8.230 nan 0.000 0.431 471 H N 2.184 120.874 119.070 -0.633 0.000 2.815 471 H HA 0.056 4.611 4.556 -0.001 0.000 0.350 471 H C 1.432 176.595 175.328 -0.275 0.000 1.080 471 H CA 0.652 56.273 56.048 -0.712 0.000 1.433 471 H CB 0.744 30.051 29.762 -0.758 0.000 1.432 471 H HN 0.655 nan 8.280 nan 0.000 0.592 472 H N 2.780 121.451 119.070 -0.665 0.000 2.491 472 H HA -0.075 4.481 4.556 -0.001 0.000 0.290 472 H C 0.702 175.894 175.328 -0.226 0.000 1.050 472 H CA 1.406 57.241 56.048 -0.356 0.000 1.309 472 H CB 0.105 29.689 29.762 -0.296 0.000 1.392 472 H HN 0.741 nan 8.280 nan 0.000 0.554 473 E N 0.938 120.797 120.200 -0.567 0.000 2.481 473 E HA 0.138 4.488 4.350 -0.001 0.000 0.195 473 E C 0.355 176.919 176.600 -0.059 0.000 1.047 473 E CA -0.288 56.004 56.400 -0.181 0.000 0.867 473 E CB 0.273 29.941 29.700 -0.054 0.000 0.858 473 E HN 0.414 nan 8.360 nan 0.000 0.513 474 L N 2.693 123.886 121.223 -0.051 0.000 2.453 474 L HA 0.011 4.351 4.340 -0.001 0.000 0.272 474 L C 0.502 177.350 176.870 -0.037 0.000 1.182 474 L CA -0.358 54.459 54.840 -0.040 0.000 0.858 474 L CB 0.013 42.047 42.059 -0.041 0.000 1.120 474 L HN 0.098 nan 8.230 nan 0.000 0.474 475 D N 1.761 122.146 120.400 -0.024 0.000 2.478 475 D HA 0.506 5.146 4.640 -0.001 0.000 0.269 475 D C 0.024 176.313 176.300 -0.018 0.000 1.232 475 D CA -0.649 53.337 54.000 -0.023 0.000 1.059 475 D CB 0.683 41.478 40.800 -0.008 0.000 1.104 475 D HN 0.579 nan 8.370 nan 0.000 0.566 476 A N -1.435 121.360 122.820 -0.042 0.000 2.386 476 A HA 0.419 4.738 4.320 -0.001 0.000 0.246 476 A C 0.125 177.723 177.584 0.023 0.000 1.089 476 A CA -0.327 51.633 52.037 -0.128 0.000 0.790 476 A CB -0.647 18.178 19.000 -0.292 0.000 1.042 476 A HN 0.738 nan 8.150 nan 0.000 0.497 477 F N -1.403 118.552 119.950 0.008 0.000 2.597 477 F HA -0.335 4.192 4.527 -0.000 0.000 0.617 477 F C 1.774 177.581 175.800 0.013 0.000 0.497 477 F CA 2.314 60.327 58.000 0.021 0.000 0.788 477 F CB -1.073 37.947 39.000 0.033 0.000 1.646 477 F HN 0.682 nan 8.300 nan 0.000 0.258 478 K N 0.397 120.901 120.400 0.172 0.000 2.137 478 K HA 0.007 4.326 4.320 -0.001 0.000 0.202 478 K C 2.112 178.743 176.600 0.052 0.000 1.052 478 K CA 1.174 57.514 56.287 0.090 0.000 0.961 478 K CB -0.006 32.525 32.500 0.052 0.000 0.741 478 K HN 0.355 nan 8.250 nan 0.000 0.452 479 R N 0.088 120.605 120.500 0.029 0.000 2.090 479 R HA -0.064 4.275 4.340 -0.001 0.000 0.228 479 R C 1.911 178.227 176.300 0.026 0.000 1.110 479 R CA 1.288 57.394 56.100 0.010 0.000 0.973 479 R CB 0.125 30.413 30.300 -0.021 0.000 0.869 479 R HN 0.101 nan 8.270 nan 0.000 0.440 480 Q N -0.375 119.436 119.800 0.019 0.000 2.311 480 Q HA 0.109 4.448 4.340 -0.001 0.000 0.203 480 Q C 1.629 177.680 176.000 0.086 0.000 0.954 480 Q CA 1.336 57.157 55.803 0.029 0.000 0.885 480 Q CB 0.186 28.912 28.738 -0.019 0.000 0.963 480 Q HN 0.416 nan 8.270 nan 0.000 0.471 481 A N -0.046 122.838 122.820 0.106 0.000 1.897 481 A HA -0.097 4.223 4.320 -0.001 0.000 0.215 481 A C 1.930 179.587 177.584 0.122 0.000 1.181 481 A CA 0.785 52.889 52.037 0.112 0.000 0.620 481 A CB -0.609 18.449 19.000 0.095 0.000 0.821 481 A HN 0.402 nan 8.150 nan 0.000 0.443 482 L N -0.257 121.033 121.223 0.112 0.000 2.017 482 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 482 L C 2.443 179.464 176.870 0.252 0.000 1.073 482 L CA 1.693 56.629 54.840 0.160 0.000 0.745 482 L CB -0.351 41.767 42.059 0.097 0.000 0.894 482 L HN 0.420 nan 8.230 nan 0.000 0.432 483 I N -0.655 120.011 120.570 0.161 0.000 2.286 483 I HA -0.327 3.842 4.170 -0.001 0.000 0.248 483 I C 2.753 178.920 176.117 0.084 0.000 1.115 483 I CA 0.963 62.335 61.300 0.120 0.000 1.392 483 I CB -0.459 37.579 38.000 0.063 0.000 1.065 483 I HN 0.326 nan 8.210 nan 0.000 0.418 484 R N 1.120 121.680 120.500 0.100 0.000 2.091 484 R HA -0.209 4.131 4.340 -0.001 0.000 0.238 484 R C 1.692 178.059 176.300 0.111 0.000 1.136 484 R CA 1.986 58.139 56.100 0.088 0.000 0.959 484 R CB -0.230 30.134 30.300 0.106 0.000 0.856 484 R HN 0.306 nan 8.270 nan 0.000 0.437 485 D N 0.810 121.341 120.400 0.218 0.000 2.178 485 D HA -0.165 4.474 4.640 -0.001 0.000 0.201 485 D C 1.817 178.143 176.300 0.043 0.000 0.980 485 D CA 0.579 54.804 54.000 0.375 0.000 0.842 485 D CB -0.084 41.046 40.800 0.550 0.000 0.948 485 D HN 0.251 nan 8.370 nan 0.000 0.472 486 L N 0.685 121.782 121.223 -0.209 0.000 2.072 486 L HA -0.075 4.264 4.340 -0.001 0.000 0.205 486 L C 2.428 179.119 176.870 -0.298 0.000 1.079 486 L CA 1.013 55.479 54.840 -0.624 0.000 0.752 486 L CB -0.181 41.554 42.059 -0.540 0.000 0.906 486 L HN -0.043 nan 8.230 nan 0.000 0.436 487 R N 0.094 120.503 120.500 -0.153 0.000 2.105 487 R HA -0.161 4.179 4.340 -0.001 0.000 0.239 487 R C 2.043 178.264 176.300 -0.132 0.000 1.135 487 R CA 1.290 57.324 56.100 -0.111 0.000 0.967 487 R CB -0.153 30.113 30.300 -0.055 0.000 0.861 487 R HN 0.419 nan 8.270 nan 0.000 0.442 488 L N -0.356 120.775 121.223 -0.154 0.000 2.599 488 L HA 0.194 4.533 4.340 -0.001 0.000 0.230 488 L C 1.134 177.786 176.870 -0.364 0.000 1.141 488 L CA 0.516 55.211 54.840 -0.241 0.000 0.877 488 L CB 0.206 42.108 42.059 -0.260 0.000 1.009 488 L HN 0.587 nan 8.230 nan 0.000 0.447 489 G N -0.488 108.131 108.800 -0.301 0.000 2.143 489 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.248 489 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.248 489 G C 0.713 175.495 174.900 -0.197 0.000 0.991 489 G CA 0.289 45.239 45.100 -0.249 0.000 0.689 489 G HN 0.409 nan 8.290 nan 0.000 0.522 490 H N -1.111 117.947 119.070 -0.021 0.000 2.457 490 H HA 0.086 4.642 4.556 -0.001 0.000 0.294 490 H C 1.338 176.781 175.328 0.192 0.000 1.064 490 H CA 1.795 57.904 56.048 0.100 0.000 1.330 490 H CB 0.013 29.884 29.762 0.181 0.000 1.395 490 H HN 0.841 nan 8.280 nan 0.000 0.541 491 Y N -2.585 117.781 120.300 0.109 0.000 2.669 491 Y HA 0.432 4.981 4.550 -0.001 0.000 0.335 491 Y C 0.127 176.049 175.900 0.036 0.000 1.116 491 Y CA -1.455 56.686 58.100 0.068 0.000 1.081 491 Y CB 0.900 39.403 38.460 0.072 0.000 1.297 491 Y HN -0.331 nan 8.280 nan 0.000 0.484 492 D N -0.284 120.197 120.400 0.136 0.000 2.454 492 D HA 0.122 4.762 4.640 -0.001 0.000 0.214 492 D C -0.614 175.713 176.300 0.044 0.000 1.088 492 D CA 0.747 54.759 54.000 0.020 0.000 0.855 492 D CB 0.982 41.804 40.800 0.038 0.000 1.025 492 D HN 0.463 nan 8.370 nan 0.000 0.502 493 C N 1.361 120.781 119.300 0.200 0.000 2.686 493 C HA 0.663 5.123 4.460 -0.001 0.000 0.318 493 C C -1.612 173.571 174.990 0.323 0.000 1.160 493 C CA -0.844 58.282 59.018 0.180 0.000 1.396 493 C CB 0.429 28.245 27.740 0.126 0.000 1.924 493 C HN 0.110 nan 8.230 nan 0.000 0.471 494 L N 6.658 128.029 121.223 0.247 0.000 2.325 494 L HA 0.806 5.146 4.340 -0.001 0.000 0.281 494 L C -0.760 176.215 176.870 0.175 0.000 1.004 494 L CA -0.072 54.938 54.840 0.283 0.000 0.823 494 L CB 1.751 43.982 42.059 0.287 0.000 1.236 494 L HN 0.584 nan 8.230 nan 0.000 0.415 495 V N 4.847 124.868 119.914 0.178 0.000 2.459 495 V HA 0.984 5.103 4.120 -0.001 0.000 0.295 495 V C 0.470 176.697 176.094 0.220 0.000 1.029 495 V CA 0.074 62.464 62.300 0.149 0.000 0.874 495 V CB 1.033 32.912 31.823 0.093 0.000 0.985 495 V HN 0.973 nan 8.190 nan 0.000 0.438 496 G N 2.699 111.604 108.800 0.175 0.000 2.600 496 G HA2 0.587 4.546 3.960 -0.001 0.000 0.293 496 G HA3 0.587 4.546 3.960 -0.001 0.000 0.293 496 G C -0.088 174.899 174.900 0.144 0.000 1.408 496 G CA -0.503 44.726 45.100 0.215 0.000 0.782 496 G HN 0.464 nan 8.290 nan 0.000 0.482 497 I N -0.500 120.154 120.570 0.139 0.000 2.726 497 I HA 0.141 4.310 4.170 -0.001 0.000 0.243 497 I C 0.607 176.767 176.117 0.072 0.000 1.082 497 I CA 0.064 61.416 61.300 0.086 0.000 1.447 497 I CB 0.206 38.242 38.000 0.060 0.000 1.250 497 I HN 0.305 nan 8.210 nan 0.000 0.453 498 N N 1.912 120.656 118.700 0.073 0.000 2.462 498 N HA 0.218 4.958 4.740 -0.001 0.000 0.242 498 N C -0.021 175.530 175.510 0.068 0.000 1.010 498 N CA 0.120 53.214 53.050 0.074 0.000 0.939 498 N CB 1.132 39.663 38.487 0.072 0.000 1.127 498 N HN 0.208 nan 8.380 nan 0.000 0.509 499 L N 3.364 124.624 121.223 0.062 0.000 2.628 499 L HA 0.226 4.565 4.340 -0.001 0.000 0.229 499 L C 0.751 177.648 176.870 0.046 0.000 1.137 499 L CA 0.072 54.944 54.840 0.053 0.000 0.909 499 L CB 0.181 42.268 42.059 0.046 0.000 1.137 499 L HN 0.422 nan 8.230 nan 0.000 0.470 500 L N 1.194 122.451 121.223 0.058 0.000 2.821 500 L HA 0.144 4.484 4.340 -0.001 0.000 0.239 500 L C 0.427 177.326 176.870 0.048 0.000 1.391 500 L CA -0.034 54.844 54.840 0.063 0.000 1.231 500 L CB -0.755 41.366 42.059 0.104 0.000 1.598 500 L HN 0.209 nan 8.230 nan 0.000 0.428 501 R N 0.062 120.581 120.500 0.030 0.000 2.691 501 R HA 0.432 4.772 4.340 -0.001 0.000 0.259 501 R C -0.159 176.140 176.300 -0.001 0.000 1.048 501 R CA -1.000 55.106 56.100 0.009 0.000 1.086 501 R CB 0.897 31.201 30.300 0.007 0.000 1.166 501 R HN -0.023 nan 8.270 nan 0.000 0.526 502 E N -0.434 119.752 120.200 -0.024 0.000 2.343 502 E HA 0.349 4.698 4.350 -0.001 0.000 0.269 502 E C 0.633 177.215 176.600 -0.029 0.000 1.047 502 E CA 1.137 57.517 56.400 -0.033 0.000 0.874 502 E CB 0.603 30.265 29.700 -0.064 0.000 1.033 502 E HN 0.711 nan 8.360 nan 0.000 0.409 503 G N 2.788 111.573 108.800 -0.024 0.000 2.162 503 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.260 503 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.260 503 G C 0.575 175.468 174.900 -0.012 0.000 0.976 503 G CA 0.453 45.542 45.100 -0.019 0.000 0.655 503 G HN 0.483 nan 8.290 nan 0.000 0.533 504 L N 0.603 121.821 121.223 -0.008 0.000 2.653 504 L HA 0.234 4.574 4.340 -0.001 0.000 0.232 504 L C 0.018 176.878 176.870 -0.016 0.000 1.169 504 L CA -0.107 54.729 54.840 -0.007 0.000 0.951 504 L CB 0.184 42.246 42.059 0.005 0.000 1.181 504 L HN 0.086 nan 8.230 nan 0.000 0.460 505 D N 1.723 122.112 120.400 -0.020 0.000 2.500 505 D HA 0.351 4.991 4.640 -0.001 0.000 0.219 505 D C -0.034 176.247 176.300 -0.031 0.000 1.137 505 D CA 0.223 54.208 54.000 -0.024 0.000 0.946 505 D CB 1.078 41.865 40.800 -0.022 0.000 1.022 505 D HN 0.144 nan 8.370 nan 0.000 0.518 506 I N 2.042 122.589 120.570 -0.038 0.000 2.406 506 I HA 0.175 4.345 4.170 -0.001 0.000 0.290 506 I C -1.565 174.522 176.117 -0.049 0.000 0.999 506 I CA -2.354 58.918 61.300 -0.048 0.000 1.124 506 I CB 2.455 40.418 38.000 -0.062 0.000 1.289 506 I HN -0.125 nan 8.210 nan 0.000 0.441 507 P HA -0.196 nan 4.420 nan 0.000 0.216 507 P C 0.977 178.248 177.300 -0.048 0.000 1.150 507 P CA 1.206 64.281 63.100 -0.043 0.000 0.837 507 P CB 0.123 31.800 31.700 -0.038 0.000 0.786 508 E N -0.766 119.399 120.200 -0.058 0.000 2.418 508 E HA -0.020 4.329 4.350 -0.001 0.000 0.197 508 E C 0.421 176.979 176.600 -0.069 0.000 1.026 508 E CA 0.383 56.745 56.400 -0.064 0.000 0.862 508 E CB -0.734 28.921 29.700 -0.076 0.000 0.799 508 E HN 0.099 nan 8.360 nan 0.000 0.518 509 V N 3.272 123.144 119.914 -0.070 0.000 2.439 509 V HA -0.009 4.111 4.120 -0.001 0.000 0.271 509 V C 1.291 177.339 176.094 -0.076 0.000 1.040 509 V CA 0.742 62.997 62.300 -0.075 0.000 1.002 509 V CB 0.951 32.733 31.823 -0.068 0.000 1.000 509 V HN 0.332 nan 8.190 nan 0.000 0.477 510 S N 4.577 120.222 115.700 -0.092 0.000 2.578 510 S HA 0.356 4.825 4.470 -0.001 0.000 0.228 510 S C -0.248 174.261 174.600 -0.152 0.000 1.022 510 S CA -0.212 57.931 58.200 -0.096 0.000 0.967 510 S CB 0.343 63.497 63.200 -0.077 0.000 0.914 510 S HN 0.465 nan 8.310 nan 0.000 0.515 511 L N 1.431 122.536 121.223 -0.195 0.000 2.464 511 L HA 0.752 5.092 4.340 -0.001 0.000 0.266 511 L C -1.764 174.961 176.870 -0.243 0.000 0.965 511 L CA -0.632 54.016 54.840 -0.321 0.000 0.833 511 L CB 2.267 44.022 42.059 -0.506 0.000 1.296 511 L HN 0.015 nan 8.230 nan 0.000 0.405 512 V N 4.394 124.169 119.914 -0.232 0.000 2.443 512 V HA 0.860 4.979 4.120 -0.001 0.000 0.293 512 V C -0.033 175.999 176.094 -0.104 0.000 1.021 512 V CA -0.302 61.925 62.300 -0.122 0.000 0.848 512 V CB 1.448 33.231 31.823 -0.068 0.000 0.998 512 V HN 0.967 nan 8.190 nan 0.000 0.424 513 A N 6.517 129.322 122.820 -0.025 0.000 2.304 513 A HA 0.882 5.202 4.320 -0.001 0.000 0.323 513 A C -0.599 177.078 177.584 0.154 0.000 1.195 513 A CA -0.445 51.665 52.037 0.121 0.000 0.826 513 A CB 0.547 19.682 19.000 0.226 0.000 1.184 513 A HN 0.789 nan 8.150 nan 0.000 0.496 514 I N 4.361 125.048 120.570 0.195 0.000 2.405 514 I HA 0.188 4.358 4.170 -0.001 0.000 0.280 514 I C -0.613 175.638 176.117 0.224 0.000 1.027 514 I CA -0.594 60.798 61.300 0.152 0.000 1.161 514 I CB 1.022 39.073 38.000 0.084 0.000 1.300 514 I HN 0.414 nan 8.210 nan 0.000 0.463 515 L N 4.971 126.303 121.223 0.183 0.000 2.453 515 L HA 0.196 4.535 4.340 -0.001 0.000 0.261 515 L C 0.802 177.729 176.870 0.096 0.000 1.179 515 L CA 0.458 55.387 54.840 0.149 0.000 0.813 515 L CB 0.272 42.353 42.059 0.037 0.000 1.110 515 L HN 0.654 nan 8.230 nan 0.000 0.466 516 D N 1.625 122.073 120.400 0.081 0.000 2.686 516 D HA -0.211 4.429 4.640 -0.001 0.000 0.235 516 D C 1.298 177.628 176.300 0.049 0.000 1.160 516 D CA 0.974 55.003 54.000 0.050 0.000 0.645 516 D CB -0.289 40.525 40.800 0.024 0.000 1.039 516 D HN 0.727 nan 8.370 nan 0.000 0.423 517 A N 0.685 123.545 122.820 0.068 0.000 2.070 517 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 517 A C 1.777 179.372 177.584 0.019 0.000 1.159 517 A CA 1.789 53.852 52.037 0.044 0.000 0.656 517 A CB 0.055 19.084 19.000 0.049 0.000 0.800 517 A HN 0.391 nan 8.150 nan 0.000 0.453 518 D N -1.162 119.250 120.400 0.020 0.000 2.349 518 D HA 0.108 4.748 4.640 -0.001 0.000 0.214 518 D C 0.143 176.445 176.300 0.004 0.000 1.063 518 D CA 0.090 54.095 54.000 0.008 0.000 0.847 518 D CB -0.116 40.689 40.800 0.008 0.000 0.933 518 D HN 0.057 nan 8.370 nan 0.000 0.513 519 K N 1.697 122.102 120.400 0.008 0.000 2.237 519 K HA 0.185 4.504 4.320 -0.001 0.000 0.270 519 K C 0.609 177.211 176.600 0.003 0.000 1.015 519 K CA -0.440 55.850 56.287 0.006 0.000 0.949 519 K CB 0.946 33.450 32.500 0.008 0.000 0.976 519 K HN 0.297 nan 8.250 nan 0.000 0.472 520 E N 0.624 120.826 120.200 0.004 0.000 2.392 520 E HA 0.510 4.860 4.350 -0.001 0.000 0.256 520 E C 0.126 176.736 176.600 0.016 0.000 1.145 520 E CA -0.742 55.661 56.400 0.007 0.000 0.929 520 E CB 0.573 30.278 29.700 0.008 0.000 0.998 520 E HN 0.540 nan 8.360 nan 0.000 0.442 521 G N 0.337 109.154 108.800 0.028 0.000 2.335 521 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.592 521 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.592 521 G C -0.500 174.447 174.900 0.079 0.000 1.442 521 G CA -0.411 44.725 45.100 0.060 0.000 0.976 521 G HN 0.524 nan 8.290 nan 0.000 0.652 522 F N 0.744 120.690 119.950 -0.007 0.000 2.120 522 F HA -0.024 4.502 4.527 -0.001 0.000 0.300 522 F C 2.397 178.199 175.800 0.002 0.000 1.095 522 F CA 2.277 60.275 58.000 -0.003 0.000 1.249 522 F CB -0.043 38.953 39.000 -0.007 0.000 0.995 522 F HN 0.314 nan 8.300 nan 0.000 0.480 523 L N -0.064 121.155 121.223 -0.007 0.000 2.622 523 L HA -0.025 4.315 4.340 -0.001 0.000 0.233 523 L C 1.205 178.008 176.870 -0.112 0.000 1.156 523 L CA 0.379 55.167 54.840 -0.087 0.000 0.866 523 L CB -0.386 41.703 42.059 0.050 0.000 0.980 523 L HN 0.049 nan 8.230 nan 0.000 0.448 524 R N -0.698 119.737 120.500 -0.107 0.000 2.596 524 R HA 0.184 4.524 4.340 -0.001 0.000 0.369 524 R C 0.717 176.955 176.300 -0.103 0.000 1.042 524 R CA -0.008 56.045 56.100 -0.078 0.000 1.120 524 R CB 0.348 30.630 30.300 -0.030 0.000 1.353 524 R HN 0.237 nan 8.270 nan 0.000 0.564 525 S N -0.297 115.296 115.700 -0.178 0.000 2.608 525 S HA 0.076 4.546 4.470 -0.001 0.000 0.261 525 S C 1.298 175.812 174.600 -0.145 0.000 1.314 525 S CA -0.458 57.646 58.200 -0.160 0.000 0.992 525 S CB 1.869 64.930 63.200 -0.232 0.000 0.935 525 S HN 0.281 nan 8.310 nan 0.000 0.564 526 E N 1.020 121.156 120.200 -0.107 0.000 2.038 526 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 526 E C 2.233 178.763 176.600 -0.117 0.000 1.000 526 E CA 1.310 57.655 56.400 -0.092 0.000 0.803 526 E CB -0.132 29.527 29.700 -0.070 0.000 0.750 526 E HN 0.684 nan 8.360 nan 0.000 0.448 527 R N -0.014 120.402 120.500 -0.141 0.000 2.073 527 R HA -0.078 4.262 4.340 -0.001 0.000 0.234 527 R C 2.674 178.859 176.300 -0.192 0.000 1.134 527 R CA 1.502 57.502 56.100 -0.167 0.000 0.952 527 R CB -0.319 29.884 30.300 -0.163 0.000 0.850 527 R HN 0.086 nan 8.270 nan 0.000 0.433 528 S N 1.230 116.771 115.700 -0.265 0.000 2.382 528 S HA -0.062 4.407 4.470 -0.001 0.000 0.228 528 S C 1.999 176.509 174.600 -0.149 0.000 1.027 528 S CA 0.939 58.981 58.200 -0.264 0.000 0.991 528 S CB -0.148 62.782 63.200 -0.450 0.000 0.823 528 S HN 0.212 nan 8.310 nan 0.000 0.469 529 L N 0.834 121.980 121.223 -0.129 0.000 2.017 529 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 529 L C 2.202 179.032 176.870 -0.067 0.000 1.073 529 L CA 1.195 55.987 54.840 -0.079 0.000 0.745 529 L CB -0.586 41.434 42.059 -0.066 0.000 0.894 529 L HN 0.309 nan 8.230 nan 0.000 0.432 530 I N -0.725 119.797 120.570 -0.080 0.000 2.179 530 I HA -0.297 3.873 4.170 -0.001 0.000 0.242 530 I C 2.764 178.843 176.117 -0.064 0.000 1.088 530 I CA 1.108 62.366 61.300 -0.070 0.000 1.357 530 I CB -0.344 37.606 38.000 -0.084 0.000 1.051 530 I HN 0.363 nan 8.210 nan 0.000 0.409 531 Q N 0.217 119.971 119.800 -0.076 0.000 2.084 531 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 531 Q C 2.317 178.302 176.000 -0.025 0.000 0.978 531 Q CA 2.070 57.845 55.803 -0.045 0.000 0.844 531 Q CB -0.687 28.037 28.738 -0.024 0.000 0.898 531 Q HN 0.505 nan 8.270 nan 0.000 0.426 532 T N 1.531 116.067 114.554 -0.030 0.000 2.821 532 T HA -0.033 4.316 4.350 -0.001 0.000 0.267 532 T C 2.042 176.731 174.700 -0.019 0.000 1.046 532 T CA 0.686 62.775 62.100 -0.017 0.000 1.139 532 T CB -0.162 68.696 68.868 -0.017 0.000 0.871 532 T HN 0.176 nan 8.240 nan 0.000 0.454 533 I N 1.410 121.965 120.570 -0.025 0.000 2.264 533 I HA -0.128 4.042 4.170 -0.001 0.000 0.248 533 I C 2.794 178.896 176.117 -0.025 0.000 1.111 533 I CA 1.189 62.474 61.300 -0.024 0.000 1.382 533 I CB -0.552 37.433 38.000 -0.024 0.000 1.060 533 I HN 0.317 nan 8.210 nan 0.000 0.418 534 G N 0.576 109.361 108.800 -0.025 0.000 2.498 534 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.219 534 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.219 534 G C 1.568 176.455 174.900 -0.022 0.000 1.119 534 G CA 0.193 45.279 45.100 -0.023 0.000 0.766 534 G HN 0.197 nan 8.290 nan 0.000 0.552 535 R N 0.617 121.104 120.500 -0.021 0.000 2.328 535 R HA 0.131 4.470 4.340 -0.001 0.000 0.207 535 R C 1.949 178.229 176.300 -0.034 0.000 1.056 535 R CA 0.699 56.785 56.100 -0.023 0.000 1.016 535 R CB -0.555 29.734 30.300 -0.018 0.000 0.872 535 R HN 0.348 nan 8.270 nan 0.000 0.471 536 A N -0.023 122.774 122.820 -0.038 0.000 2.465 536 A HA 0.427 4.747 4.320 -0.001 0.000 0.255 536 A C 1.379 178.942 177.584 -0.036 0.000 1.274 536 A CA 0.308 52.317 52.037 -0.047 0.000 0.920 536 A CB 0.295 19.259 19.000 -0.059 0.000 1.033 536 A HN 0.146 nan 8.150 nan 0.000 0.516 537 A N -0.294 122.509 122.820 -0.029 0.000 2.337 537 A HA 0.255 4.574 4.320 -0.001 0.000 0.227 537 A C 1.424 178.994 177.584 -0.024 0.000 1.259 537 A CA -0.082 51.941 52.037 -0.024 0.000 0.870 537 A CB -0.248 18.739 19.000 -0.022 0.000 0.927 537 A HN 0.367 nan 8.150 nan 0.000 0.497 538 R N -0.474 120.010 120.500 -0.028 0.000 2.509 538 R HA 0.169 4.508 4.340 -0.001 0.000 0.300 538 R C -0.461 175.823 176.300 -0.027 0.000 0.985 538 R CA -0.070 56.014 56.100 -0.027 0.000 1.092 538 R CB 0.031 30.313 30.300 -0.030 0.000 1.237 538 R HN 0.522 nan 8.270 nan 0.000 0.546 539 N N -0.902 117.782 118.700 -0.027 0.000 2.258 539 N HA 0.227 4.967 4.740 -0.001 0.000 0.299 539 N C 0.309 175.809 175.510 -0.017 0.000 1.047 539 N CA -0.184 52.850 53.050 -0.026 0.000 0.814 539 N CB 1.693 40.158 38.487 -0.036 0.000 1.413 539 N HN -0.024 nan 8.380 nan 0.000 0.478 540 A N 2.804 125.617 122.820 -0.012 0.000 2.178 540 A HA -0.005 4.315 4.320 -0.001 0.000 0.218 540 A C 1.550 179.134 177.584 0.000 0.000 1.157 540 A CA 1.169 53.204 52.037 -0.003 0.000 0.689 540 A CB -0.175 18.825 19.000 -0.000 0.000 0.787 540 A HN 0.737 nan 8.150 nan 0.000 0.465 541 R N -0.982 119.515 120.500 -0.005 0.000 2.596 541 R HA 0.215 4.555 4.340 -0.001 0.000 0.369 541 R C 0.800 177.096 176.300 -0.006 0.000 1.042 541 R CA 0.317 56.418 56.100 0.002 0.000 1.120 541 R CB 0.537 30.838 30.300 0.003 0.000 1.353 541 R HN 0.376 nan 8.270 nan 0.000 0.564 542 G N 0.742 109.532 108.800 -0.017 0.000 2.224 542 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.239 542 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.239 542 G C -0.458 174.430 174.900 -0.021 0.000 1.240 542 G CA 0.243 45.324 45.100 -0.032 0.000 0.896 542 G HN 0.274 nan 8.290 nan 0.000 0.496 543 E N 0.126 120.291 120.200 -0.058 0.000 2.367 543 E HA 0.497 4.846 4.350 -0.001 0.000 0.273 543 E C -1.225 175.311 176.600 -0.107 0.000 0.903 543 E CA -0.833 55.552 56.400 -0.025 0.000 0.764 543 E CB 2.859 32.591 29.700 0.053 0.000 1.252 543 E HN 0.274 nan 8.360 nan 0.000 0.446 544 V N 1.947 121.866 119.914 0.008 0.000 2.531 544 V HA 0.359 4.479 4.120 -0.001 0.000 0.301 544 V C -1.297 174.920 176.094 0.204 0.000 1.034 544 V CA -0.841 61.459 62.300 0.000 0.000 0.865 544 V CB 1.160 32.990 31.823 0.012 0.000 0.995 544 V HN 0.583 nan 8.190 nan 0.000 0.424 545 W N 5.394 126.633 121.300 -0.102 0.000 2.361 545 W HA 0.650 5.309 4.660 -0.001 0.000 0.314 545 W C -0.551 175.806 176.519 -0.269 0.000 1.041 545 W CA -1.498 55.704 57.345 -0.238 0.000 1.241 545 W CB 1.161 30.423 29.460 -0.329 0.000 1.279 545 W HN 0.326 nan 8.180 nan 0.000 0.436 546 L N 4.861 126.049 121.223 -0.059 0.000 2.262 546 L HA 0.325 4.665 4.340 -0.001 0.000 0.288 546 L C -0.668 176.122 176.870 -0.133 0.000 1.035 546 L CA -0.962 53.852 54.840 -0.045 0.000 0.820 546 L CB 0.243 42.291 42.059 -0.018 0.000 1.204 546 L HN 0.248 nan 8.230 nan 0.000 0.424 547 Y N 2.984 123.323 120.300 0.065 0.000 2.383 547 Y HA 0.592 5.142 4.550 -0.001 0.000 0.344 547 Y C 0.530 176.437 175.900 0.012 0.000 0.986 547 Y CA -0.219 57.902 58.100 0.034 0.000 1.175 547 Y CB 1.303 39.788 38.460 0.043 0.000 1.152 547 Y HN 0.686 nan 8.280 nan 0.000 0.511 548 A N 2.232 125.124 122.820 0.120 0.000 2.590 548 A HA 0.374 4.694 4.320 -0.001 0.000 0.294 548 A C -0.659 176.947 177.584 0.036 0.000 1.046 548 A CA -0.846 51.231 52.037 0.066 0.000 0.684 548 A CB 1.008 20.031 19.000 0.038 0.000 1.279 548 A HN 0.604 nan 8.150 nan 0.000 0.415 549 D N 0.305 120.719 120.400 0.024 0.000 2.349 549 D HA 0.168 4.807 4.640 -0.001 0.000 0.214 549 D C 0.282 176.582 176.300 0.000 0.000 1.063 549 D CA 0.741 54.747 54.000 0.010 0.000 0.847 549 D CB 0.467 41.272 40.800 0.008 0.000 0.933 549 D HN 0.464 nan 8.370 nan 0.000 0.513 550 R N -0.281 120.220 120.500 0.001 0.000 2.774 550 R HA 0.540 4.880 4.340 -0.001 0.000 0.272 550 R C -1.148 175.148 176.300 -0.006 0.000 1.000 550 R CA -0.815 55.282 56.100 -0.004 0.000 0.906 550 R CB 2.664 32.962 30.300 -0.003 0.000 1.227 550 R HN -0.254 nan 8.270 nan 0.000 0.468 551 V N 2.229 122.137 119.914 -0.010 0.000 2.328 551 V HA 0.184 4.304 4.120 -0.001 0.000 0.278 551 V C 0.393 176.480 176.094 -0.012 0.000 1.021 551 V CA -0.533 61.760 62.300 -0.012 0.000 0.838 551 V CB 1.089 32.902 31.823 -0.016 0.000 0.999 551 V HN 0.927 nan 8.190 nan 0.000 0.447 552 S N 2.828 118.521 115.700 -0.011 0.000 2.624 552 S HA 0.249 4.718 4.470 -0.001 0.000 0.263 552 S C 1.044 175.634 174.600 -0.016 0.000 1.287 552 S CA -0.113 58.080 58.200 -0.012 0.000 0.990 552 S CB 1.451 64.644 63.200 -0.012 0.000 0.950 552 S HN 0.713 nan 8.310 nan 0.000 0.561 553 E N 1.267 121.457 120.200 -0.016 0.000 2.110 553 E HA -0.067 4.283 4.350 -0.001 0.000 0.193 553 E C 2.031 178.617 176.600 -0.024 0.000 0.988 553 E CA 1.688 58.077 56.400 -0.019 0.000 0.804 553 E CB -0.907 28.782 29.700 -0.018 0.000 0.745 553 E HN 0.777 nan 8.360 nan 0.000 0.458 554 A N 0.369 123.173 122.820 -0.027 0.000 1.883 554 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 554 A C 2.321 179.884 177.584 -0.035 0.000 1.186 554 A CA 2.018 54.033 52.037 -0.036 0.000 0.624 554 A CB -0.611 18.363 19.000 -0.043 0.000 0.822 554 A HN 0.371 nan 8.150 nan 0.000 0.444 555 M N -1.516 118.067 119.600 -0.028 0.000 2.086 555 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 555 M C 2.485 178.771 176.300 -0.024 0.000 1.067 555 M CA 2.092 57.378 55.300 -0.024 0.000 1.116 555 M CB -0.356 32.233 32.600 -0.018 0.000 1.348 555 M HN 0.554 nan 8.290 nan 0.000 0.407 556 Q N 0.658 120.444 119.800 -0.022 0.000 2.045 556 Q HA -0.214 4.126 4.340 -0.001 0.000 0.206 556 Q C 1.942 177.929 176.000 -0.022 0.000 0.991 556 Q CA 2.006 57.797 55.803 -0.021 0.000 0.851 556 Q CB -0.142 28.585 28.738 -0.019 0.000 0.911 556 Q HN 0.142 nan 8.270 nan 0.000 0.418 557 R N -0.210 120.275 120.500 -0.026 0.000 2.081 557 R HA 0.058 4.397 4.340 -0.001 0.000 0.235 557 R C 2.123 178.404 176.300 -0.031 0.000 1.131 557 R CA 1.515 57.598 56.100 -0.028 0.000 0.960 557 R CB -1.102 29.179 30.300 -0.032 0.000 0.856 557 R HN 0.425 nan 8.270 nan 0.000 0.436 558 A N 0.130 122.930 122.820 -0.034 0.000 1.930 558 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 558 A C 2.213 179.780 177.584 -0.027 0.000 1.175 558 A CA 1.317 53.332 52.037 -0.037 0.000 0.627 558 A CB -0.524 18.451 19.000 -0.041 0.000 0.815 558 A HN 0.261 nan 8.150 nan 0.000 0.443 559 I N -0.560 119.997 120.570 -0.022 0.000 2.252 559 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 559 I C 2.508 178.615 176.117 -0.015 0.000 1.102 559 I CA 1.533 62.823 61.300 -0.017 0.000 1.385 559 I CB -0.410 37.580 38.000 -0.016 0.000 1.064 559 I HN 0.420 nan 8.210 nan 0.000 0.414 560 E N 0.399 120.589 120.200 -0.017 0.000 2.077 560 E HA -0.287 4.062 4.350 -0.001 0.000 0.193 560 E C 2.024 178.615 176.600 -0.015 0.000 0.989 560 E CA 1.365 57.756 56.400 -0.015 0.000 0.800 560 E CB -0.037 29.654 29.700 -0.016 0.000 0.746 560 E HN 0.320 nan 8.360 nan 0.000 0.452 561 E N 0.365 120.553 120.200 -0.020 0.000 2.106 561 E HA -0.129 4.221 4.350 -0.001 0.000 0.192 561 E C 1.898 178.487 176.600 -0.018 0.000 0.984 561 E CA 1.666 58.053 56.400 -0.021 0.000 0.806 561 E CB -0.208 29.474 29.700 -0.030 0.000 0.750 561 E HN 0.073 nan 8.360 nan 0.000 0.458 562 T N 0.930 115.473 114.554 -0.018 0.000 2.777 562 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 562 T C 1.636 176.331 174.700 -0.008 0.000 1.040 562 T CA 1.244 63.335 62.100 -0.014 0.000 1.141 562 T CB -0.445 68.416 68.868 -0.013 0.000 0.868 562 T HN 0.292 nan 8.240 nan 0.000 0.444 563 N N 1.306 120.002 118.700 -0.006 0.000 2.120 563 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 563 N C 2.120 177.630 175.510 -0.000 0.000 1.024 563 N CA 1.103 54.152 53.050 -0.002 0.000 0.852 563 N CB -0.158 38.327 38.487 -0.003 0.000 1.003 563 N HN 0.347 nan 8.380 nan 0.000 0.424 564 R N 0.761 121.259 120.500 -0.003 0.000 2.083 564 R HA -0.071 4.269 4.340 -0.001 0.000 0.237 564 R C 2.413 178.714 176.300 0.001 0.000 1.137 564 R CA 1.340 57.439 56.100 -0.001 0.000 0.951 564 R CB -0.047 30.250 30.300 -0.005 0.000 0.851 564 R HN 0.272 nan 8.270 nan 0.000 0.434 565 R N -0.236 120.262 120.500 -0.004 0.000 2.073 565 R HA -0.128 4.211 4.340 -0.001 0.000 0.234 565 R C 2.573 178.874 176.300 0.002 0.000 1.134 565 R CA 1.633 57.730 56.100 -0.005 0.000 0.952 565 R CB -0.457 29.835 30.300 -0.013 0.000 0.850 565 R HN 0.245 nan 8.270 nan 0.000 0.433 566 R N 0.826 121.328 120.500 0.004 0.000 2.083 566 R HA -0.159 4.180 4.340 -0.001 0.000 0.237 566 R C 2.221 178.534 176.300 0.021 0.000 1.137 566 R CA 1.715 57.821 56.100 0.011 0.000 0.951 566 R CB -0.285 30.021 30.300 0.010 0.000 0.851 566 R HN 0.254 nan 8.270 nan 0.000 0.434 567 A N 0.957 123.788 122.820 0.019 0.000 1.902 567 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 567 A C 2.218 179.825 177.584 0.038 0.000 1.181 567 A CA 1.258 53.310 52.037 0.025 0.000 0.623 567 A CB -0.536 18.475 19.000 0.018 0.000 0.818 567 A HN 0.352 nan 8.150 nan 0.000 0.443 568 L N -0.000 121.244 121.223 0.035 0.000 2.046 568 L HA -0.263 4.076 4.340 -0.001 0.000 0.208 568 L C 3.022 179.940 176.870 0.079 0.000 1.077 568 L CA 1.685 56.555 54.840 0.050 0.000 0.747 568 L CB -0.650 41.426 42.059 0.029 0.000 0.896 568 L HN 0.663 nan 8.230 nan 0.000 0.432 569 Q N -0.143 119.691 119.800 0.056 0.000 2.172 569 Q HA -0.186 4.153 4.340 -0.001 0.000 0.200 569 Q C 1.643 177.718 176.000 0.124 0.000 0.964 569 Q CA 1.185 57.034 55.803 0.078 0.000 0.855 569 Q CB -0.313 28.440 28.738 0.026 0.000 0.918 569 Q HN 0.565 nan 8.270 nan 0.000 0.444 570 E N 1.431 121.683 120.200 0.085 0.000 2.106 570 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 570 E C 2.094 178.748 176.600 0.090 0.000 0.984 570 E CA 0.947 57.393 56.400 0.077 0.000 0.806 570 E CB -0.084 29.645 29.700 0.048 0.000 0.750 570 E HN 0.498 nan 8.360 nan 0.000 0.458 571 A N 0.782 123.660 122.820 0.096 0.000 1.898 571 A HA -0.211 4.109 4.320 -0.001 0.000 0.216 571 A C 2.018 179.678 177.584 0.126 0.000 1.181 571 A CA 1.275 53.364 52.037 0.087 0.000 0.620 571 A CB -0.759 18.289 19.000 0.080 0.000 0.819 571 A HN 0.395 nan 8.150 nan 0.000 0.442 572 Y N 1.302 121.646 120.300 0.073 0.000 2.181 572 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 572 Y C 2.190 178.204 175.900 0.191 0.000 1.146 572 Y CA 2.111 60.301 58.100 0.151 0.000 1.164 572 Y CB -0.177 38.350 38.460 0.112 0.000 0.982 572 Y HN 0.327 nan 8.280 nan 0.000 0.515 573 N N 0.357 119.210 118.700 0.256 0.000 2.166 573 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 573 N C 1.794 177.332 175.510 0.046 0.000 1.019 573 N CA 1.340 54.483 53.050 0.154 0.000 0.856 573 N CB -0.684 37.886 38.487 0.138 0.000 0.993 573 N HN 0.402 nan 8.380 nan 0.000 0.426 574 L N 1.752 122.991 121.223 0.026 0.000 2.017 574 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 574 L C 2.190 179.013 176.870 -0.079 0.000 1.073 574 L CA 1.767 56.597 54.840 -0.015 0.000 0.745 574 L CB -0.711 41.343 42.059 -0.008 0.000 0.894 574 L HN 0.227 nan 8.230 nan 0.000 0.432 575 E N -1.651 118.463 120.200 -0.143 0.000 2.110 575 E HA -0.246 4.104 4.350 -0.001 0.000 0.193 575 E C 1.326 177.641 176.600 -0.475 0.000 0.988 575 E CA 1.298 57.511 56.400 -0.310 0.000 0.804 575 E CB -0.096 29.368 29.700 -0.393 0.000 0.745 575 E HN 0.672 nan 8.360 nan 0.000 0.458 576 H N -1.338 117.577 119.070 -0.259 0.000 2.549 576 H HA 0.188 4.744 4.556 -0.001 0.000 0.279 576 H C 0.766 176.025 175.328 -0.114 0.000 1.018 576 H CA 0.553 56.464 56.048 -0.229 0.000 1.175 576 H CB 1.022 30.555 29.762 -0.381 0.000 1.485 576 H HN 0.338 nan 8.280 nan 0.000 0.543 577 G N 1.981 110.773 108.800 -0.014 0.000 2.295 577 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.287 577 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.287 577 G C -0.007 174.910 174.900 0.029 0.000 1.055 577 G CA 0.159 45.260 45.100 0.002 0.000 0.922 577 G HN 0.357 nan 8.290 nan 0.000 0.503 578 I N 0.266 120.864 120.570 0.047 0.000 2.441 578 I HA 0.477 4.646 4.170 -0.001 0.000 0.295 578 I C 0.168 176.315 176.117 0.050 0.000 0.994 578 I CA -0.651 60.683 61.300 0.058 0.000 1.144 578 I CB 2.211 40.267 38.000 0.094 0.000 1.314 578 I HN 0.049 nan 8.210 nan 0.000 0.445 579 T N 5.813 120.390 114.554 0.038 0.000 2.812 579 T HA 0.404 4.754 4.350 -0.001 0.000 0.282 579 T C -2.350 172.368 174.700 0.029 0.000 0.990 579 T CA -1.176 60.943 62.100 0.031 0.000 0.960 579 T CB 1.557 70.437 68.868 0.021 0.000 0.948 579 T HN 0.296 nan 8.240 nan 0.000 0.438 580 P HA 0.239 nan 4.420 nan 0.000 0.268 580 P C -0.458 176.850 177.300 0.014 0.000 1.208 580 P CA -0.192 62.921 63.100 0.022 0.000 0.777 580 P CB 0.450 32.162 31.700 0.021 0.000 0.875 581 E N -0.555 119.650 120.200 0.009 0.000 2.352 581 E HA 0.283 4.632 4.350 -0.001 0.000 0.280 581 E C -0.377 176.222 176.600 -0.002 0.000 0.930 581 E CA -0.775 55.627 56.400 0.003 0.000 0.765 581 E CB 0.794 30.497 29.700 0.004 0.000 1.219 581 E HN 0.116 nan 8.360 nan 0.000 0.434 582 T N 0.914 115.464 114.554 -0.007 0.000 2.701 582 T HA 0.029 4.379 4.350 -0.001 0.000 0.263 582 T C 0.575 175.266 174.700 -0.015 0.000 1.040 582 T CA 1.375 63.467 62.100 -0.013 0.000 1.147 582 T CB -0.337 68.522 68.868 -0.017 0.000 0.865 582 T HN 0.540 nan 8.240 nan 0.000 0.426 583 V N 0.000 119.905 119.914 -0.014 0.000 2.409 583 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 583 V CA 0.000 62.290 62.300 -0.016 0.000 1.235 583 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 583 V HN 0.000 nan 8.190 nan 0.000 0.556