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 3h6e_1_A DATA FIRST_RESID 6 DATA SEQUENCE TIVIDLGKTL SKVSLWDLDG RXLDRQVRPS IPLEIDGIRR LDAPDTGRWL DATA SEQUENCE LDVLSRYADH PVTTIVPVGH GAGIAALTDG RLAFPPLDYE QSIPEAVXAD DATA SEQUENCE YRSQRDPFAR TGSPALPDGL NIGSQLWWLD QLHPDVXANA TLLPWAQYWA DATA SEQUENCE WFLTGRAVSE VTSLGCHSDL WDPQDGDFSP XAKRLGWAAR FAPIVRAGDT DATA SEQUENCE VGALLPAIAE RTGLSPDVQV LAGLHDSNAA LLAARGFAEI ADNEATVLST DATA SEQUENCE GTWFIAXRLP ATPVDTATLP EARDCLVNVD VHGRPVPSAR FXGGREIETL DATA SEQUENCE IEIDTRRVDI KPDQPALLAA VPEVLRHGRX ILPTLXRGFG PYPHGRFAWI DATA SEQUENCE NRPEDWFERR AAACLYAALV ADTALDLIGS TGRILVEGRF AEADVFVRAL DATA SEQUENCE ASLRPDCAVY TANAHNDVSF GALRLIDPGL RPQGELVRIE PLDTXXXXDL DATA SEQUENCE DTYRNRWQAE VE 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.685 174.700 -0.025 0.000 1.109 6 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 6 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 7 I N 1.504 122.039 120.570 -0.058 0.000 2.571 7 I HA 0.562 4.732 4.170 0.000 0.000 0.289 7 I C -0.858 175.220 176.117 -0.065 0.000 1.115 7 I CA -1.260 59.993 61.300 -0.080 0.000 1.045 7 I CB 2.428 40.340 38.000 -0.146 0.000 1.238 7 I HN 0.576 nan 8.210 nan 0.000 0.424 8 V N 6.495 126.397 119.914 -0.021 0.000 2.398 8 V HA 0.463 4.583 4.120 0.000 0.000 0.286 8 V C 0.082 176.163 176.094 -0.020 0.000 1.026 8 V CA -0.610 61.662 62.300 -0.046 0.000 0.868 8 V CB 1.642 33.422 31.823 -0.071 0.000 0.982 8 V HN 0.488 nan 8.190 nan 0.000 0.443 9 I N 0.924 121.462 120.570 -0.054 0.000 2.328 9 I HA 0.546 4.716 4.170 0.000 0.000 0.287 9 I C -0.657 175.424 176.117 -0.061 0.000 1.012 9 I CA -0.213 61.044 61.300 -0.071 0.000 1.195 9 I CB 1.333 39.243 38.000 -0.150 0.000 1.350 9 I HN 0.420 nan 8.210 nan 0.000 0.464 10 D N 8.031 128.433 120.400 0.003 0.000 2.479 10 D HA 0.331 4.971 4.640 0.000 0.000 0.247 10 D C -0.366 175.973 176.300 0.065 0.000 1.119 10 D CA -0.394 53.627 54.000 0.035 0.000 0.922 10 D CB 0.988 41.830 40.800 0.071 0.000 1.014 10 D HN 0.582 nan 8.370 nan 0.000 0.510 11 L N 3.283 124.528 121.223 0.038 0.000 2.466 11 L HA 0.396 4.736 4.340 0.000 0.000 0.248 11 L C 1.507 178.651 176.870 0.457 0.000 1.240 11 L CA -0.669 54.260 54.840 0.148 0.000 1.180 11 L CB 0.718 42.717 42.059 -0.101 0.000 1.413 11 L HN 0.216 nan 8.230 nan 0.000 0.406 12 G N 0.211 109.202 108.800 0.319 0.000 2.525 12 G HA2 0.073 4.033 3.960 0.000 0.000 0.276 12 G HA3 0.073 4.033 3.960 0.000 0.000 0.276 12 G C 0.779 175.833 174.900 0.257 0.000 1.388 12 G CA -0.316 44.992 45.100 0.347 0.000 1.050 12 G HN 0.348 nan 8.290 nan 0.000 0.520 13 K N -1.343 119.065 120.400 0.012 0.000 2.098 13 K HA -0.010 4.310 4.320 0.000 0.000 0.203 13 K C 2.585 179.092 176.600 -0.156 0.000 1.051 13 K CA 2.107 58.209 56.287 -0.307 0.000 0.957 13 K CB -0.440 31.853 32.500 -0.345 0.000 0.738 13 K HN 0.539 nan 8.250 nan 0.000 0.447 14 T N -2.713 111.807 114.554 -0.058 0.000 3.000 14 T HA 0.317 4.667 4.350 0.000 0.000 0.248 14 T C 0.494 175.172 174.700 -0.037 0.000 1.034 14 T CA -0.260 61.809 62.100 -0.050 0.000 1.060 14 T CB 0.202 69.055 68.868 -0.025 0.000 0.983 14 T HN -0.016 nan 8.240 nan 0.000 0.482 15 L N 2.486 123.706 121.223 -0.005 0.000 2.410 15 L HA 0.590 4.930 4.340 0.000 0.000 0.270 15 L C -0.764 176.113 176.870 0.013 0.000 0.983 15 L CA -1.069 53.762 54.840 -0.014 0.000 0.822 15 L CB 2.470 44.534 42.059 0.009 0.000 1.285 15 L HN 0.232 nan 8.230 nan 0.000 0.409 16 S N 2.029 117.696 115.700 -0.055 0.000 2.433 16 S HA 0.629 5.099 4.470 0.000 0.000 0.310 16 S C -0.752 173.898 174.600 0.084 0.000 1.097 16 S CA -0.977 57.217 58.200 -0.009 0.000 1.103 16 S CB 1.368 64.503 63.200 -0.108 0.000 0.992 16 S HN 0.535 nan 8.310 nan 0.000 0.469 17 K N 2.257 122.773 120.400 0.193 0.000 2.426 17 K HA 0.613 4.933 4.320 0.000 0.000 0.254 17 K C -1.394 175.353 176.600 0.245 0.000 0.936 17 K CA -0.890 55.549 56.287 0.255 0.000 0.801 17 K CB 2.220 34.823 32.500 0.171 0.000 1.139 17 K HN 0.446 nan 8.250 nan 0.000 0.424 18 V N 1.977 122.044 119.914 0.256 0.000 2.459 18 V HA 0.427 4.547 4.120 0.000 0.000 0.295 18 V C -0.359 175.777 176.094 0.069 0.000 1.029 18 V CA -0.635 61.714 62.300 0.081 0.000 0.874 18 V CB 1.496 33.271 31.823 -0.080 0.000 0.985 18 V HN 0.967 nan 8.190 nan 0.000 0.438 19 S N 4.717 120.434 115.700 0.029 0.000 2.541 19 S HA 0.811 5.281 4.470 0.000 0.000 0.280 19 S C -1.194 173.342 174.600 -0.107 0.000 1.112 19 S CA -0.748 57.462 58.200 0.017 0.000 0.925 19 S CB 2.019 65.419 63.200 0.334 0.000 1.067 19 S HN 0.611 nan 8.310 nan 0.000 0.479 20 L N 2.704 123.697 121.223 -0.384 0.000 2.305 20 L HA 0.832 5.172 4.340 0.000 0.000 0.284 20 L C -1.856 174.823 176.870 -0.318 0.000 1.013 20 L CA -0.109 54.474 54.840 -0.427 0.000 0.819 20 L CB 0.539 42.111 42.059 -0.813 0.000 1.227 20 L HN 0.879 nan 8.230 nan 0.000 0.417 21 W N 2.421 123.615 121.300 -0.176 0.000 2.820 21 W HA 0.540 5.200 4.660 0.000 0.000 0.350 21 W C -0.575 175.910 176.519 -0.056 0.000 1.116 21 W CA -0.518 56.779 57.345 -0.080 0.000 1.146 21 W CB 1.174 30.610 29.460 -0.040 0.000 1.433 21 W HN 0.615 nan 8.180 nan 0.000 0.561 22 D N -0.619 119.913 120.400 0.220 0.000 2.385 22 D HA 0.311 4.951 4.640 0.000 0.000 0.254 22 D C 0.534 176.918 176.300 0.140 0.000 1.053 22 D CA -0.692 53.390 54.000 0.137 0.000 0.992 22 D CB 0.703 41.558 40.800 0.092 0.000 1.145 22 D HN 0.357 nan 8.370 nan 0.000 0.523 23 L N -0.600 120.676 121.223 0.088 0.000 2.642 23 L HA 0.011 4.351 4.340 0.000 0.000 0.236 23 L C 0.659 177.571 176.870 0.070 0.000 1.169 23 L CA 0.807 55.685 54.840 0.064 0.000 0.851 23 L CB -0.467 41.616 42.059 0.041 0.000 0.968 23 L HN 0.343 nan 8.230 nan 0.000 0.453 24 D N 0.266 120.722 120.400 0.092 0.000 2.369 24 D HA 0.150 4.790 4.640 0.000 0.000 0.211 24 D C 1.414 177.798 176.300 0.140 0.000 1.077 24 D CA 0.686 54.740 54.000 0.090 0.000 0.842 24 D CB 0.667 41.508 40.800 0.068 0.000 0.947 24 D HN 0.249 nan 8.370 nan 0.000 0.509 25 G N 1.718 110.646 108.800 0.213 0.000 2.256 25 G HA2 -0.301 3.659 3.960 0.000 0.000 0.272 25 G HA3 -0.301 3.659 3.960 0.000 0.000 0.272 25 G C 0.341 175.520 174.900 0.464 0.000 1.076 25 G CA 0.352 45.671 45.100 0.364 0.000 0.882 25 G HN 0.319 nan 8.290 nan 0.000 0.497 29 D N -0.053 120.203 120.400 -0.241 0.000 2.683 29 D HA 0.535 5.175 4.640 0.000 0.000 0.246 29 D C -1.449 174.781 176.300 -0.116 0.000 1.238 29 D CA -0.326 53.617 54.000 -0.096 0.000 0.759 29 D CB 2.268 43.128 40.800 0.099 0.000 1.349 29 D HN 0.052 nan 8.370 nan 0.000 0.426 30 R N 1.806 122.301 120.500 -0.008 0.000 2.584 30 R HA 0.472 4.812 4.340 0.000 0.000 0.276 30 R C -1.580 174.788 176.300 0.113 0.000 1.046 30 R CA -0.641 55.481 56.100 0.037 0.000 0.906 30 R CB 1.400 31.705 30.300 0.010 0.000 1.215 30 R HN 0.303 nan 8.270 nan 0.000 0.449 31 Q N 3.310 123.217 119.800 0.179 0.000 2.310 31 Q HA 0.354 4.694 4.340 0.000 0.000 0.270 31 Q C -0.623 175.613 176.000 0.393 0.000 1.025 31 Q CA -0.665 55.291 55.803 0.255 0.000 0.772 31 Q CB 2.351 31.225 28.738 0.227 0.000 1.253 31 Q HN 0.582 nan 8.270 nan 0.000 0.450 32 V N 0.067 120.161 119.914 0.300 0.000 3.204 32 V HA 0.894 5.014 4.120 0.000 0.000 0.316 32 V C -0.661 175.423 176.094 -0.016 0.000 1.160 32 V CA -0.930 61.473 62.300 0.172 0.000 1.044 32 V CB 2.711 34.580 31.823 0.077 0.000 1.136 32 V HN 0.845 nan 8.190 nan 0.000 0.455 33 R N 1.306 121.664 120.500 -0.236 0.000 4.887 33 R HA 0.297 4.637 4.340 0.000 0.000 0.269 33 R C -3.347 172.742 176.300 -0.352 0.000 0.993 33 R CA -0.749 55.094 56.100 -0.427 0.000 1.421 33 R CB 1.794 31.467 30.300 -1.045 0.000 1.236 33 R HN 0.709 nan 8.270 nan 0.000 0.603 34 P HA 0.054 nan 4.420 nan 0.000 0.268 34 P C -0.806 176.388 177.300 -0.176 0.000 1.208 34 P CA 0.030 63.037 63.100 -0.155 0.000 0.777 34 P CB 0.650 32.285 31.700 -0.109 0.000 0.875 35 S N 2.345 117.971 115.700 -0.123 0.000 2.404 35 S HA 0.387 4.857 4.470 0.000 0.000 0.309 35 S C 0.494 175.044 174.600 -0.082 0.000 1.076 35 S CA -0.732 57.409 58.200 -0.097 0.000 1.095 35 S CB -0.514 62.652 63.200 -0.056 0.000 0.972 35 S HN 0.403 nan 8.310 nan 0.000 0.484 36 I N 1.094 121.621 120.570 -0.072 0.000 2.428 36 I HA 0.544 4.714 4.170 0.000 0.000 0.289 36 I C -2.673 173.417 176.117 -0.044 0.000 1.019 36 I CA -2.295 58.971 61.300 -0.056 0.000 1.351 36 I CB 0.693 38.665 38.000 -0.046 0.000 1.412 36 I HN 0.245 nan 8.210 nan 0.000 0.513 37 P HA 0.273 nan 4.420 nan 0.000 0.272 37 P C -1.131 176.155 177.300 -0.024 0.000 1.240 37 P CA -0.380 62.690 63.100 -0.050 0.000 0.791 37 P CB 0.729 32.394 31.700 -0.057 0.000 0.978 38 L N 1.124 122.337 121.223 -0.018 0.000 2.325 38 L HA 0.427 4.767 4.340 0.000 0.000 0.281 38 L C -0.200 176.666 176.870 -0.006 0.000 1.004 38 L CA -0.697 54.143 54.840 -0.000 0.000 0.823 38 L CB 1.473 43.543 42.059 0.018 0.000 1.236 38 L HN 0.151 nan 8.230 nan 0.000 0.415 39 E N 3.602 123.801 120.200 -0.002 0.000 2.331 39 E HA 0.327 4.677 4.350 0.000 0.000 0.272 39 E C 0.082 176.680 176.600 -0.003 0.000 1.036 39 E CA 0.221 56.620 56.400 -0.003 0.000 0.864 39 E CB 1.133 30.834 29.700 0.001 0.000 1.035 39 E HN 0.630 nan 8.360 nan 0.000 0.408 40 I N 1.886 122.449 120.570 -0.011 0.000 5.183 40 I HA 0.111 4.281 4.170 0.000 0.000 0.343 40 I C -0.343 175.759 176.117 -0.024 0.000 1.230 40 I CA 0.469 61.757 61.300 -0.020 0.000 1.473 40 I CB 0.454 38.429 38.000 -0.041 0.000 1.569 40 I HN 0.547 nan 8.210 nan 0.000 0.544 41 D N -0.497 119.891 120.400 -0.019 0.000 2.672 41 D HA 0.301 4.941 4.640 0.000 0.000 0.321 41 D C 0.808 177.114 176.300 0.009 0.000 1.496 41 D CA 0.873 54.865 54.000 -0.013 0.000 0.901 41 D CB 1.274 42.051 40.800 -0.037 0.000 1.441 41 D HN 0.293 nan 8.370 nan 0.000 0.423 42 G N 0.961 109.769 108.800 0.013 0.000 2.176 42 G HA2 -0.230 3.730 3.960 0.000 0.000 0.232 42 G HA3 -0.230 3.730 3.960 0.000 0.000 0.232 42 G C 0.128 175.055 174.900 0.045 0.000 0.986 42 G CA -0.359 44.758 45.100 0.029 0.000 0.643 42 G HN 0.324 nan 8.290 nan 0.000 0.522 43 I N 1.662 122.251 120.570 0.031 0.000 2.297 43 I HA 0.353 4.523 4.170 0.000 0.000 0.291 43 I C 0.898 177.022 176.117 0.011 0.000 1.033 43 I CA -0.762 60.563 61.300 0.041 0.000 1.253 43 I CB 0.921 38.909 38.000 -0.021 0.000 1.396 43 I HN 0.011 nan 8.210 nan 0.000 0.476 44 R N 6.126 126.640 120.500 0.022 0.000 2.491 44 R HA 0.355 4.695 4.340 0.000 0.000 0.283 44 R C -0.525 175.758 176.300 -0.028 0.000 1.072 44 R CA -0.190 55.904 56.100 -0.010 0.000 1.048 44 R CB 0.588 30.876 30.300 -0.020 0.000 0.983 44 R HN 0.469 nan 8.270 nan 0.000 0.450 45 R N 2.450 122.924 120.500 -0.043 0.000 2.795 45 R HA 0.340 4.680 4.340 0.000 0.000 0.275 45 R C -0.963 175.293 176.300 -0.074 0.000 0.981 45 R CA -1.371 54.697 56.100 -0.052 0.000 0.917 45 R CB 0.936 31.220 30.300 -0.027 0.000 1.202 45 R HN 0.246 nan 8.270 nan 0.000 0.469 46 L N 1.972 123.121 121.223 -0.124 0.000 2.455 46 L HA 0.052 4.392 4.340 0.000 0.000 0.272 46 L C 0.718 177.596 176.870 0.013 0.000 1.174 46 L CA 0.392 55.143 54.840 -0.149 0.000 0.869 46 L CB -0.099 41.681 42.059 -0.464 0.000 1.130 46 L HN 0.442 nan 8.230 nan 0.000 0.474 47 D N 2.855 123.315 120.400 0.099 0.000 2.551 47 D HA 0.228 4.868 4.640 0.000 0.000 0.223 47 D C 0.927 177.422 176.300 0.325 0.000 1.144 47 D CA 0.236 54.334 54.000 0.164 0.000 1.025 47 D CB 0.793 41.664 40.800 0.119 0.000 1.085 47 D HN 0.635 nan 8.370 nan 0.000 0.506 48 A N 4.460 127.488 122.820 0.347 0.000 1.855 48 A HA -0.041 4.279 4.320 0.000 0.000 0.215 48 A C -0.375 177.479 177.584 0.450 0.000 1.191 48 A CA 0.824 53.152 52.037 0.484 0.000 0.613 48 A CB -1.132 17.965 19.000 0.163 0.000 0.829 48 A HN 0.392 nan 8.150 nan 0.000 0.442 49 P HA -0.173 nan 4.420 nan 0.000 0.215 49 P C 0.854 178.336 177.300 0.304 0.000 1.157 49 P CA 1.784 65.070 63.100 0.310 0.000 0.874 49 P CB -0.093 31.738 31.700 0.219 0.000 0.790 50 D N -1.764 118.789 120.400 0.255 0.000 2.149 50 D HA -0.105 4.535 4.640 0.000 0.000 0.201 50 D C 1.720 178.171 176.300 0.252 0.000 0.972 50 D CA 1.299 55.431 54.000 0.219 0.000 0.835 50 D CB -0.600 40.295 40.800 0.158 0.000 0.966 50 D HN -0.015 nan 8.370 nan 0.000 0.476 51 T N -1.083 113.646 114.554 0.292 0.000 2.821 51 T HA -0.044 4.306 4.350 0.000 0.000 0.267 51 T C 1.864 176.674 174.700 0.184 0.000 1.046 51 T CA 1.241 63.496 62.100 0.259 0.000 1.139 51 T CB -0.701 68.313 68.868 0.242 0.000 0.871 51 T HN 0.312 nan 8.240 nan 0.000 0.454 52 G N 1.627 110.573 108.800 0.244 0.000 2.442 52 G HA2 -0.242 3.718 3.960 0.000 0.000 0.219 52 G HA3 -0.242 3.718 3.960 0.000 0.000 0.219 52 G C 1.710 176.734 174.900 0.207 0.000 1.141 52 G CA 0.508 45.629 45.100 0.035 0.000 0.763 52 G HN 0.436 nan 8.290 nan 0.000 0.554 53 R N -1.066 119.590 120.500 0.261 0.000 2.064 53 R HA -0.079 4.261 4.340 0.000 0.000 0.228 53 R C 2.298 178.710 176.300 0.187 0.000 1.144 53 R CA 1.340 57.575 56.100 0.225 0.000 0.932 53 R CB -0.734 29.692 30.300 0.210 0.000 0.833 53 R HN 0.483 nan 8.270 nan 0.000 0.429 54 W N 2.777 124.103 121.300 0.042 0.000 2.290 54 W HA -0.252 4.408 4.660 0.000 0.000 0.311 54 W C 1.683 178.200 176.519 -0.003 0.000 1.238 54 W CA 1.957 59.310 57.345 0.013 0.000 1.255 54 W CB -0.278 29.180 29.460 -0.003 0.000 1.145 54 W HN 0.195 nan 8.180 nan 0.000 0.506 55 L N -0.754 120.355 121.223 -0.191 0.000 2.558 55 L HA 0.191 4.531 4.340 0.000 0.000 0.225 55 L C 1.745 178.471 176.870 -0.241 0.000 1.128 55 L CA 1.352 55.902 54.840 -0.484 0.000 0.868 55 L CB -0.636 41.215 42.059 -0.348 0.000 1.006 55 L HN 0.109 nan 8.230 nan 0.000 0.454 56 L N -0.542 120.637 121.223 -0.075 0.000 2.270 56 L HA 0.019 4.359 4.340 0.000 0.000 0.210 56 L C 1.848 178.675 176.870 -0.071 0.000 1.104 56 L CA 0.404 55.242 54.840 -0.003 0.000 0.804 56 L CB -0.380 41.743 42.059 0.108 0.000 0.937 56 L HN 0.295 nan 8.230 nan 0.000 0.450 57 D N -0.252 120.072 120.400 -0.126 0.000 2.075 57 D HA -0.197 4.443 4.640 0.000 0.000 0.196 57 D C 2.093 178.256 176.300 -0.229 0.000 0.985 57 D CA 1.381 55.294 54.000 -0.145 0.000 0.834 57 D CB -0.459 40.266 40.800 -0.125 0.000 0.987 57 D HN 0.096 nan 8.370 nan 0.000 0.452 58 V N 1.040 120.717 119.914 -0.395 0.000 2.469 58 V HA -0.194 3.926 4.120 0.000 0.000 0.251 58 V C 2.289 178.238 176.094 -0.242 0.000 1.064 58 V CA 1.277 63.338 62.300 -0.399 0.000 1.066 58 V CB -0.436 31.025 31.823 -0.604 0.000 0.667 58 V HN 0.183 nan 8.190 nan 0.000 0.461 59 L N -0.197 120.942 121.223 -0.141 0.000 2.083 59 L HA -0.126 4.214 4.340 0.000 0.000 0.209 59 L C 2.676 179.547 176.870 0.002 0.000 1.083 59 L CA 1.850 56.706 54.840 0.027 0.000 0.752 59 L CB -0.606 41.451 42.059 -0.004 0.000 0.899 59 L HN 0.365 nan 8.230 nan 0.000 0.433 60 S N -0.363 115.291 115.700 -0.078 0.000 2.399 60 S HA -0.155 4.315 4.470 0.000 0.000 0.231 60 S C 1.925 176.456 174.600 -0.116 0.000 1.022 60 S CA 1.033 59.190 58.200 -0.070 0.000 0.983 60 S CB -0.202 62.955 63.200 -0.072 0.000 0.803 60 S HN 0.406 nan 8.310 nan 0.000 0.480 61 R N -0.030 120.309 120.500 -0.268 0.000 2.152 61 R HA -0.065 4.275 4.340 0.000 0.000 0.232 61 R C 0.426 176.509 176.300 -0.362 0.000 1.117 61 R CA 1.002 56.861 56.100 -0.402 0.000 0.981 61 R CB -0.275 29.631 30.300 -0.657 0.000 0.870 61 R HN 0.490 nan 8.270 nan 0.000 0.451 62 Y N -0.586 119.722 120.300 0.014 0.000 2.811 62 Y HA 0.329 4.879 4.550 0.000 0.000 0.330 62 Y C 1.370 177.380 175.900 0.183 0.000 1.081 62 Y CA -0.464 57.691 58.100 0.092 0.000 1.408 62 Y CB 0.106 38.494 38.460 -0.120 0.000 1.235 62 Y HN 0.014 nan 8.280 nan 0.000 0.529 63 A N -0.679 122.257 122.820 0.192 0.000 2.067 63 A HA -0.072 4.248 4.320 0.000 0.000 0.217 63 A C 1.437 179.076 177.584 0.092 0.000 1.156 63 A CA 1.170 53.276 52.037 0.115 0.000 0.683 63 A CB -0.111 18.914 19.000 0.041 0.000 0.808 63 A HN 0.291 nan 8.150 nan 0.000 0.455 64 D N -0.621 119.823 120.400 0.073 0.000 2.355 64 D HA 0.088 4.728 4.640 0.000 0.000 0.218 64 D C -0.101 176.100 176.300 -0.165 0.000 1.004 64 D CA 0.496 54.442 54.000 -0.089 0.000 0.880 64 D CB -0.116 40.565 40.800 -0.198 0.000 0.911 64 D HN 0.595 nan 8.370 nan 0.000 0.528 65 H N -0.827 118.274 119.070 0.052 0.000 2.483 65 H HA 0.338 4.894 4.556 0.000 0.000 0.338 65 H C -1.905 173.442 175.328 0.032 0.000 1.152 65 H CA -1.973 54.105 56.048 0.049 0.000 1.264 65 H CB 0.595 30.402 29.762 0.075 0.000 1.510 65 H HN -0.216 nan 8.280 nan 0.000 0.530 66 P HA 0.022 nan 4.420 nan 0.000 0.231 66 P C -0.768 176.573 177.300 0.068 0.000 1.756 66 P CA -0.054 63.090 63.100 0.073 0.000 0.990 66 P CB -0.369 31.363 31.700 0.054 0.000 1.973 67 V N 1.653 121.609 119.914 0.070 0.000 2.470 67 V HA 0.102 4.222 4.120 0.000 0.000 0.276 67 V C 1.560 177.664 176.094 0.017 0.000 1.040 67 V CA 0.646 62.969 62.300 0.038 0.000 1.008 67 V CB 0.630 32.473 31.823 0.034 0.000 0.990 67 V HN 0.406 nan 8.190 nan 0.000 0.477 68 T N -0.302 114.255 114.554 0.004 0.000 3.004 68 T HA 0.227 4.577 4.350 0.000 0.000 0.266 68 T C 0.467 175.156 174.700 -0.018 0.000 0.986 68 T CA -0.005 62.092 62.100 -0.005 0.000 0.902 68 T CB 0.447 69.313 68.868 -0.004 0.000 1.118 68 T HN 0.576 nan 8.240 nan 0.000 0.522 69 T N 1.700 116.238 114.554 -0.025 0.000 3.097 69 T HA 0.590 4.940 4.350 0.000 0.000 0.332 69 T C -1.392 173.279 174.700 -0.048 0.000 1.269 69 T CA -0.614 61.462 62.100 -0.039 0.000 1.076 69 T CB 1.810 70.647 68.868 -0.051 0.000 1.209 69 T HN 0.245 nan 8.240 nan 0.000 0.474 70 I N 2.294 122.834 120.570 -0.049 0.000 2.509 70 I HA 0.709 4.879 4.170 0.000 0.000 0.293 70 I C -0.613 175.467 176.117 -0.062 0.000 1.020 70 I CA -1.285 59.982 61.300 -0.055 0.000 1.088 70 I CB 2.107 40.084 38.000 -0.038 0.000 1.267 70 I HN 0.339 nan 8.210 nan 0.000 0.430 71 V N 8.038 127.904 119.914 -0.080 0.000 2.483 71 V HA 0.621 4.741 4.120 0.000 0.000 0.297 71 V C -2.663 173.387 176.094 -0.073 0.000 1.027 71 V CA -2.030 60.220 62.300 -0.085 0.000 0.855 71 V CB 2.274 34.022 31.823 -0.126 0.000 0.995 71 V HN 0.478 nan 8.190 nan 0.000 0.424 72 P HA 0.517 nan 4.420 nan 0.000 0.282 72 P C -1.301 175.982 177.300 -0.028 0.000 1.249 72 P CA -0.310 62.775 63.100 -0.025 0.000 0.806 72 P CB 1.594 33.312 31.700 0.030 0.000 0.984 73 V N 2.123 122.020 119.914 -0.027 0.000 2.686 73 V HA 0.788 4.908 4.120 0.000 0.000 0.306 73 V C 0.275 176.396 176.094 0.045 0.000 1.065 73 V CA -0.437 61.862 62.300 -0.001 0.000 0.894 73 V CB 2.092 33.905 31.823 -0.016 0.000 1.004 73 V HN 0.778 nan 8.190 nan 0.000 0.424 74 G N 1.507 110.375 108.800 0.114 0.000 2.591 74 G HA2 0.625 4.585 3.960 0.000 0.000 0.306 74 G HA3 0.625 4.585 3.960 0.000 0.000 0.306 74 G C -0.850 174.273 174.900 0.372 0.000 1.334 74 G CA -0.741 44.514 45.100 0.258 0.000 0.981 74 G HN 1.095 nan 8.290 nan 0.000 0.491 75 H N -0.218 119.170 119.070 0.530 0.000 2.836 75 H HA 0.552 5.108 4.556 0.000 0.000 0.368 75 H C 0.908 176.586 175.328 0.584 0.000 1.164 75 H CA 0.135 56.448 56.048 0.443 0.000 1.425 75 H CB 0.682 30.664 29.762 0.367 0.000 1.414 75 H HN 0.606 nan 8.280 nan 0.000 0.614 76 G N -0.735 108.470 108.800 0.675 0.000 2.543 76 G HA2 0.396 4.356 3.960 0.000 0.000 0.290 76 G HA3 0.396 4.356 3.960 0.000 0.000 0.290 76 G C 0.239 175.251 174.900 0.187 0.000 1.310 76 G CA -0.720 44.473 45.100 0.154 0.000 1.025 76 G HN 1.624 nan 8.290 nan 0.000 0.502 77 A N -2.292 120.517 122.820 -0.019 0.000 2.826 77 A HA 0.106 4.426 4.320 0.000 0.000 0.274 77 A C 0.909 178.619 177.584 0.210 0.000 1.443 77 A CA 1.609 53.679 52.037 0.056 0.000 0.833 77 A CB -1.577 17.345 19.000 -0.131 0.000 1.023 77 A HN 2.214 nan 8.150 nan 0.000 0.600 78 G N -1.238 107.623 108.800 0.102 0.000 2.609 78 G HA2 0.694 4.655 3.960 0.000 0.000 0.308 78 G HA3 0.694 4.655 3.960 0.000 0.000 0.308 78 G C -0.957 173.997 174.900 0.090 0.000 1.369 78 G CA -0.065 45.048 45.100 0.023 0.000 0.958 78 G HN 1.186 nan 8.290 nan 0.000 0.499 79 I N 1.563 122.166 120.570 0.054 0.000 2.647 79 I HA 0.834 5.004 4.170 0.000 0.000 0.295 79 I C -0.250 175.842 176.117 -0.043 0.000 1.078 79 I CA -0.904 60.416 61.300 0.034 0.000 1.048 79 I CB 2.131 40.138 38.000 0.012 0.000 1.239 79 I HN 0.717 nan 8.210 nan 0.000 0.421 80 A N 5.677 128.426 122.820 -0.118 0.000 2.374 80 A HA 0.986 5.306 4.320 0.000 0.000 0.317 80 A C -1.220 176.137 177.584 -0.378 0.000 1.094 80 A CA -0.313 51.562 52.037 -0.271 0.000 0.765 80 A CB 1.449 20.240 19.000 -0.347 0.000 1.268 80 A HN 1.084 nan 8.150 nan 0.000 0.438 81 A N 1.740 124.240 122.820 -0.532 0.000 2.343 81 A HA 0.722 5.042 4.320 0.000 0.000 0.316 81 A C -0.958 176.279 177.584 -0.579 0.000 1.104 81 A CA -0.413 51.286 52.037 -0.562 0.000 0.768 81 A CB 0.640 19.270 19.000 -0.617 0.000 1.213 81 A HN 0.816 nan 8.150 nan 0.000 0.456 82 L N 2.394 123.334 121.223 -0.470 0.000 2.319 82 L HA 0.472 4.812 4.340 0.000 0.000 0.281 82 L C -0.367 176.335 176.870 -0.280 0.000 1.005 82 L CA -0.430 54.162 54.840 -0.413 0.000 0.828 82 L CB 1.878 43.636 42.059 -0.501 0.000 1.227 82 L HN 0.665 nan 8.230 nan 0.000 0.415 83 T N 1.000 115.419 114.554 -0.226 0.000 2.749 83 T HA 0.194 4.544 4.350 0.000 0.000 0.287 83 T C -0.096 174.556 174.700 -0.081 0.000 0.970 83 T CA -0.412 61.602 62.100 -0.144 0.000 0.980 83 T CB 0.962 69.751 68.868 -0.132 0.000 0.924 83 T HN 0.573 nan 8.240 nan 0.000 0.456 84 D N 2.423 122.790 120.400 -0.055 0.000 2.708 84 D HA -0.180 4.460 4.640 0.000 0.000 0.236 84 D C 1.276 177.583 176.300 0.012 0.000 1.146 84 D CA 1.816 55.804 54.000 -0.019 0.000 0.662 84 D CB -1.268 39.524 40.800 -0.013 0.000 1.059 84 D HN 1.252 nan 8.370 nan 0.000 0.428 85 G N -0.057 108.755 108.800 0.020 0.000 2.148 85 G HA2 -0.356 3.604 3.960 0.000 0.000 0.254 85 G HA3 -0.356 3.604 3.960 0.000 0.000 0.254 85 G C 0.290 175.337 174.900 0.245 0.000 0.981 85 G CA 1.016 46.192 45.100 0.126 0.000 0.670 85 G HN 0.849 nan 8.290 nan 0.000 0.528 86 R N -1.616 118.954 120.500 0.117 0.000 2.836 86 R HA 0.785 5.125 4.340 0.000 0.000 0.269 86 R C -0.179 176.112 176.300 -0.015 0.000 1.010 86 R CA -1.281 54.931 56.100 0.185 0.000 0.930 86 R CB 0.909 31.288 30.300 0.132 0.000 1.218 86 R HN 0.549 nan 8.270 nan 0.000 0.473 87 L N 2.548 123.801 121.223 0.050 0.000 2.615 87 L HA 0.168 4.508 4.340 0.000 0.000 0.271 87 L C 1.055 177.806 176.870 -0.199 0.000 1.183 87 L CA 0.894 55.662 54.840 -0.120 0.000 0.933 87 L CB 0.688 42.772 42.059 0.042 0.000 1.199 87 L HN 0.959 nan 8.230 nan 0.000 0.487 88 A N 6.226 128.794 122.820 -0.420 0.000 1.972 88 A HA 0.112 4.432 4.320 0.000 0.000 0.219 88 A C 0.520 177.903 177.584 -0.335 0.000 1.169 88 A CA 1.692 53.455 52.037 -0.458 0.000 0.635 88 A CB -0.652 17.917 19.000 -0.719 0.000 0.810 88 A HN 0.914 nan 8.150 nan 0.000 0.446 89 F N -6.234 113.619 119.950 -0.161 0.000 2.890 89 F HA 0.539 5.066 4.527 0.000 0.000 0.326 89 F C -3.536 172.179 175.800 -0.142 0.000 1.143 89 F CA -2.352 55.559 58.000 -0.149 0.000 0.906 89 F CB 0.289 39.161 39.000 -0.213 0.000 1.303 89 F HN -0.306 nan 8.300 nan 0.000 0.447 90 P HA 0.261 nan 4.420 nan 0.000 0.267 90 P C -2.594 174.824 177.300 0.197 0.000 1.205 90 P CA -0.622 62.552 63.100 0.124 0.000 0.765 90 P CB 0.319 32.070 31.700 0.085 0.000 0.828 91 P HA 0.037 nan 4.420 nan 0.000 0.269 91 P C -0.484 176.808 177.300 -0.014 0.000 1.215 91 P CA -0.059 63.062 63.100 0.036 0.000 0.780 91 P CB 0.308 31.940 31.700 -0.114 0.000 0.898 92 L N 2.053 123.279 121.223 0.005 0.000 2.456 92 L HA 0.105 4.445 4.340 0.000 0.000 0.272 92 L C 1.029 177.879 176.870 -0.033 0.000 1.189 92 L CA 0.569 55.405 54.840 -0.007 0.000 0.846 92 L CB -0.557 41.533 42.059 0.052 0.000 1.111 92 L HN 0.370 nan 8.230 nan 0.000 0.475 93 D N 1.431 121.799 120.400 -0.055 0.000 2.383 93 D HA -0.086 4.554 4.640 0.000 0.000 0.252 93 D C 0.720 176.994 176.300 -0.043 0.000 1.166 93 D CA -0.200 53.721 54.000 -0.131 0.000 0.879 93 D CB 0.794 41.506 40.800 -0.148 0.000 1.164 93 D HN 0.508 nan 8.370 nan 0.000 0.462 94 Y N 2.584 122.888 120.300 0.006 0.000 2.574 94 Y HA 0.031 4.581 4.550 0.000 0.000 0.294 94 Y C 1.359 177.283 175.900 0.041 0.000 1.142 94 Y CA 0.712 58.839 58.100 0.045 0.000 1.314 94 Y CB -0.418 38.088 38.460 0.076 0.000 0.991 94 Y HN 0.398 nan 8.280 nan 0.000 0.555 95 E N 0.418 120.619 120.200 0.002 0.000 2.481 95 E HA -0.088 4.262 4.350 0.000 0.000 0.195 95 E C 0.395 177.025 176.600 0.051 0.000 1.047 95 E CA 0.116 56.551 56.400 0.059 0.000 0.867 95 E CB 0.030 29.690 29.700 -0.066 0.000 0.858 95 E HN 0.442 nan 8.360 nan 0.000 0.513 96 Q N 1.869 121.699 119.800 0.051 0.000 2.300 96 Q HA -0.000 4.340 4.340 0.000 0.000 0.280 96 Q C -0.243 175.800 176.000 0.072 0.000 1.033 96 Q CA 0.092 55.940 55.803 0.075 0.000 0.903 96 Q CB 0.952 29.764 28.738 0.123 0.000 1.195 96 Q HN -0.109 nan 8.270 nan 0.000 0.386 97 S N 4.048 119.766 115.700 0.030 0.000 2.573 97 S HA 0.301 4.771 4.470 0.000 0.000 0.277 97 S C -0.120 174.367 174.600 -0.188 0.000 1.346 97 S CA -0.444 57.731 58.200 -0.041 0.000 1.034 97 S CB 0.109 63.286 63.200 -0.039 0.000 0.879 97 S HN 0.606 nan 8.310 nan 0.000 0.528 98 I N 4.451 124.846 120.570 -0.292 0.000 2.465 98 I HA 0.342 4.512 4.170 0.000 0.000 0.291 98 I C -2.165 173.649 176.117 -0.505 0.000 1.014 98 I CA -2.514 58.396 61.300 -0.650 0.000 1.093 98 I CB 1.751 39.468 38.000 -0.473 0.000 1.267 98 I HN 0.493 nan 8.210 nan 0.000 0.431 99 P HA -0.003 nan 4.420 nan 0.000 0.264 99 P C 0.672 177.856 177.300 -0.192 0.000 1.183 99 P CA 0.202 63.112 63.100 -0.316 0.000 0.763 99 P CB 0.792 32.328 31.700 -0.274 0.000 0.807 100 E N 2.822 122.960 120.200 -0.103 0.000 2.048 100 E HA -0.306 4.044 4.350 0.000 0.000 0.202 100 E C 1.859 178.444 176.600 -0.025 0.000 1.021 100 E CA 1.926 58.293 56.400 -0.054 0.000 0.825 100 E CB -0.363 29.319 29.700 -0.030 0.000 0.756 100 E HN 0.546 nan 8.360 nan 0.000 0.454 101 A N 0.651 123.469 122.820 -0.003 0.000 1.933 101 A HA -0.069 4.251 4.320 0.000 0.000 0.218 101 A C 1.464 179.099 177.584 0.085 0.000 1.175 101 A CA 0.923 52.983 52.037 0.038 0.000 0.628 101 A CB -0.431 18.598 19.000 0.049 0.000 0.814 101 A HN 0.160 nan 8.150 nan 0.000 0.444 105 D N -0.360 120.050 120.400 0.017 0.000 2.116 105 D HA -0.166 4.474 4.640 0.000 0.000 0.193 105 D C 1.527 177.653 176.300 -0.291 0.000 0.998 105 D CA 2.110 56.140 54.000 0.049 0.000 0.836 105 D CB -0.337 40.681 40.800 0.363 0.000 0.951 105 D HN 0.580 nan 8.370 nan 0.000 0.449 106 Y N 1.494 121.330 120.300 -0.773 0.000 2.163 106 Y HA -0.134 4.417 4.550 0.000 0.000 0.288 106 Y C 2.093 177.629 175.900 -0.608 0.000 1.136 106 Y CA 1.378 58.679 58.100 -1.331 0.000 1.147 106 Y CB -0.011 37.714 38.460 -1.225 0.000 0.987 106 Y HN -0.222 nan 8.280 nan 0.000 0.509 107 R N 0.333 120.583 120.500 -0.418 0.000 2.139 107 R HA -0.141 4.199 4.340 0.000 0.000 0.243 107 R C 2.213 178.312 176.300 -0.334 0.000 1.145 107 R CA 1.488 57.380 56.100 -0.347 0.000 0.976 107 R CB -1.289 28.923 30.300 -0.146 0.000 0.866 107 R HN 0.562 nan 8.270 nan 0.000 0.449 108 S N -0.057 115.471 115.700 -0.287 0.000 2.593 108 S HA 0.006 4.476 4.470 0.000 0.000 0.217 108 S C 1.445 175.918 174.600 -0.212 0.000 0.966 108 S CA 0.015 58.098 58.200 -0.194 0.000 0.914 108 S CB 0.386 63.517 63.200 -0.115 0.000 0.776 108 S HN 0.216 nan 8.310 nan 0.000 0.523 109 Q N 1.187 120.783 119.800 -0.340 0.000 2.164 109 Q HA 0.264 4.604 4.340 0.000 0.000 0.226 109 Q C -0.136 175.674 176.000 -0.317 0.000 0.813 109 Q CA -0.301 55.334 55.803 -0.281 0.000 0.978 109 Q CB 0.376 28.964 28.738 -0.250 0.000 1.149 109 Q HN 0.491 nan 8.270 nan 0.000 0.489 110 R N 1.256 121.512 120.500 -0.407 0.000 2.738 110 R HA 0.143 4.483 4.340 0.000 0.000 0.268 110 R C -0.300 175.908 176.300 -0.153 0.000 1.062 110 R CA -0.152 55.754 56.100 -0.324 0.000 1.158 110 R CB 0.410 30.496 30.300 -0.356 0.000 1.046 110 R HN 0.138 nan 8.270 nan 0.000 0.493 111 D N 1.541 121.890 120.400 -0.085 0.000 2.360 111 D HA 0.142 4.782 4.640 0.000 0.000 0.242 111 D C -2.064 174.223 176.300 -0.022 0.000 1.184 111 D CA -1.196 52.777 54.000 -0.045 0.000 0.930 111 D CB 0.306 41.091 40.800 -0.025 0.000 1.161 111 D HN 0.226 nan 8.370 nan 0.000 0.447 112 P HA 0.064 nan 4.420 nan 0.000 0.271 112 P C 0.486 177.824 177.300 0.063 0.000 1.218 112 P CA -0.343 62.774 63.100 0.029 0.000 0.780 112 P CB 0.373 32.083 31.700 0.016 0.000 0.901 113 F N 2.458 122.395 119.950 -0.022 0.000 2.307 113 F HA -0.171 4.356 4.527 0.000 0.000 0.301 113 F C 1.878 177.675 175.800 -0.005 0.000 1.076 113 F CA 1.598 59.593 58.000 -0.008 0.000 1.383 113 F CB -0.214 38.781 39.000 -0.009 0.000 1.055 113 F HN 0.338 nan 8.300 nan 0.000 0.526 114 A N 0.092 122.916 122.820 0.007 0.000 2.066 114 A HA -0.048 4.272 4.320 0.000 0.000 0.218 114 A C 2.230 179.729 177.584 -0.141 0.000 1.157 114 A CA 0.811 52.811 52.037 -0.063 0.000 0.670 114 A CB -0.361 18.653 19.000 0.023 0.000 0.804 114 A HN 0.276 nan 8.150 nan 0.000 0.453 115 R N -0.647 119.775 120.500 -0.130 0.000 2.156 115 R HA -0.004 4.336 4.340 0.000 0.000 0.207 115 R C 2.154 178.349 176.300 -0.176 0.000 1.040 115 R CA 1.808 57.827 56.100 -0.134 0.000 1.013 115 R CB -0.671 29.572 30.300 -0.095 0.000 0.931 115 R HN 0.711 nan 8.270 nan 0.000 0.465 116 T N -4.350 110.083 114.554 -0.202 0.000 3.034 116 T HA 0.150 4.500 4.350 0.000 0.000 0.248 116 T C 1.486 176.041 174.700 -0.243 0.000 1.040 116 T CA 0.805 62.809 62.100 -0.158 0.000 1.107 116 T CB 0.320 69.156 68.868 -0.053 0.000 0.932 116 T HN 0.280 nan 8.240 nan 0.000 0.474 117 G N 1.150 109.588 108.800 -0.604 0.000 2.175 117 G HA2 -0.268 3.692 3.960 0.000 0.000 0.265 117 G HA3 -0.268 3.692 3.960 0.000 0.000 0.265 117 G C 0.213 174.970 174.900 -0.238 0.000 0.979 117 G CA 0.527 45.161 45.100 -0.776 0.000 0.663 117 G HN 0.969 nan 8.290 nan 0.000 0.533 118 S N 1.471 117.136 115.700 -0.058 0.000 2.420 118 S HA 0.660 5.130 4.470 0.000 0.000 0.313 118 S C -2.076 172.716 174.600 0.320 0.000 1.079 118 S CA -1.238 57.073 58.200 0.185 0.000 1.104 118 S CB 1.519 64.821 63.200 0.170 0.000 0.969 118 S HN 0.196 nan 8.310 nan 0.000 0.471 119 P HA 0.331 nan 4.420 nan 0.000 0.279 119 P C -1.137 176.226 177.300 0.105 0.000 1.252 119 P CA -0.624 62.611 63.100 0.224 0.000 0.811 119 P CB 0.571 32.326 31.700 0.093 0.000 1.035 120 A N 2.909 125.760 122.820 0.053 0.000 2.522 120 A HA 0.339 4.659 4.320 0.000 0.000 0.256 120 A C -0.195 177.395 177.584 0.009 0.000 1.086 120 A CA 0.334 52.392 52.037 0.035 0.000 0.763 120 A CB -1.065 17.934 19.000 -0.001 0.000 1.024 120 A HN 0.486 nan 8.150 nan 0.000 0.502 121 L N 3.836 125.075 121.223 0.028 0.000 2.341 121 L HA 0.482 4.822 4.340 0.000 0.000 0.267 121 L C -2.255 174.637 176.870 0.037 0.000 1.009 121 L CA -2.284 52.553 54.840 -0.004 0.000 0.819 121 L CB 2.295 44.300 42.059 -0.091 0.000 1.323 121 L HN 0.428 nan 8.230 nan 0.000 0.425 122 P HA 0.172 nan 4.420 nan 0.000 0.272 122 P C -0.565 176.777 177.300 0.069 0.000 1.230 122 P CA -0.114 63.021 63.100 0.058 0.000 0.788 122 P CB 0.431 32.180 31.700 0.082 0.000 0.949 123 D N 0.554 120.985 120.400 0.052 0.000 3.608 123 D HA -0.209 4.431 4.640 0.000 0.000 0.152 123 D C 1.124 177.478 176.300 0.089 0.000 0.971 123 D CA 1.921 55.957 54.000 0.060 0.000 1.072 123 D CB -1.552 39.309 40.800 0.102 0.000 0.507 123 D HN 0.596 nan 8.370 nan 0.000 0.520 124 G N -0.208 108.685 108.800 0.154 0.000 3.337 124 G HA2 0.387 4.347 3.960 0.000 0.000 0.246 124 G HA3 0.387 4.347 3.960 0.000 0.000 0.246 124 G C 1.711 176.711 174.900 0.166 0.000 1.131 124 G CA 0.006 45.213 45.100 0.178 0.000 0.773 124 G HN 0.313 nan 8.290 nan 0.000 0.544 125 L N 0.117 121.404 121.223 0.106 0.000 2.127 125 L HA -0.010 4.330 4.340 0.000 0.000 0.211 125 L C 0.615 177.577 176.870 0.153 0.000 1.089 125 L CA 0.580 55.429 54.840 0.014 0.000 0.757 125 L CB -0.205 41.808 42.059 -0.077 0.000 0.899 125 L HN 0.113 nan 8.230 nan 0.000 0.434 126 N N 0.295 119.091 118.700 0.160 0.000 2.419 126 N HA 0.171 4.911 4.740 0.000 0.000 0.264 126 N C 1.019 176.622 175.510 0.155 0.000 1.031 126 N CA -0.026 53.149 53.050 0.210 0.000 0.951 126 N CB 1.815 40.454 38.487 0.253 0.000 1.101 126 N HN 0.082 nan 8.380 nan 0.000 0.488 127 I N 1.245 121.901 120.570 0.144 0.000 2.286 127 I HA -0.212 3.958 4.170 0.000 0.000 0.248 127 I C 2.296 178.454 176.117 0.068 0.000 1.115 127 I CA 1.111 62.474 61.300 0.106 0.000 1.392 127 I CB -0.188 37.883 38.000 0.117 0.000 1.065 127 I HN 0.630 nan 8.210 nan 0.000 0.418 128 G N 0.103 109.010 108.800 0.179 0.000 2.469 128 G HA2 -0.285 3.675 3.960 0.000 0.000 0.219 128 G HA3 -0.285 3.675 3.960 0.000 0.000 0.219 128 G C 1.739 176.498 174.900 -0.236 0.000 1.150 128 G CA 1.166 46.414 45.100 0.247 0.000 0.763 128 G HN 0.394 nan 8.290 nan 0.000 0.561 129 S N 0.441 115.911 115.700 -0.383 0.000 2.370 129 S HA -0.168 4.302 4.470 0.000 0.000 0.226 129 S C 2.376 176.932 174.600 -0.074 0.000 1.033 129 S CA 1.587 59.492 58.200 -0.491 0.000 1.011 129 S CB -0.299 62.820 63.200 -0.136 0.000 0.852 129 S HN 0.597 nan 8.310 nan 0.000 0.457 130 Q N 0.254 120.063 119.800 0.016 0.000 2.020 130 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 130 Q C 2.125 178.150 176.000 0.040 0.000 0.982 130 Q CA 1.009 56.879 55.803 0.111 0.000 0.838 130 Q CB -0.392 28.394 28.738 0.080 0.000 0.899 130 Q HN 0.309 nan 8.270 nan 0.000 0.423 131 L N 0.452 121.574 121.223 -0.170 0.000 2.013 131 L HA -0.231 4.109 4.340 0.000 0.000 0.212 131 L C 1.997 178.807 176.870 -0.100 0.000 1.073 131 L CA 1.781 56.358 54.840 -0.439 0.000 0.753 131 L CB -1.425 39.845 42.059 -1.316 0.000 0.890 131 L HN 0.498 nan 8.230 nan 0.000 0.432 132 W N -0.973 120.317 121.300 -0.016 0.000 2.317 132 W HA -0.331 4.330 4.660 0.000 0.000 0.318 132 W C 2.502 179.180 176.519 0.265 0.000 1.227 132 W CA 2.027 59.565 57.345 0.320 0.000 1.269 132 W CB -0.724 28.799 29.460 0.105 0.000 1.155 132 W HN 0.355 nan 8.180 nan 0.000 0.484 133 W N 1.066 122.469 121.300 0.172 0.000 2.354 133 W HA -0.198 4.462 4.660 0.000 0.000 0.315 133 W C 2.590 179.077 176.519 -0.053 0.000 1.206 133 W CA 2.086 59.465 57.345 0.055 0.000 1.290 133 W CB -1.169 28.325 29.460 0.056 0.000 1.152 133 W HN -0.173 nan 8.180 nan 0.000 0.489 134 L N 0.449 121.660 121.223 -0.021 0.000 2.137 134 L HA -0.284 4.056 4.340 0.000 0.000 0.213 134 L C 2.111 178.911 176.870 -0.116 0.000 1.085 134 L CA 1.819 56.555 54.840 -0.173 0.000 0.760 134 L CB -0.907 41.112 42.059 -0.066 0.000 0.893 134 L HN -0.103 nan 8.230 nan 0.000 0.434 135 D N -0.669 119.699 120.400 -0.054 0.000 2.263 135 D HA -0.168 4.472 4.640 0.000 0.000 0.208 135 D C 2.286 178.526 176.300 -0.101 0.000 0.971 135 D CA 0.927 54.900 54.000 -0.044 0.000 0.867 135 D CB 0.077 40.877 40.800 0.000 0.000 0.929 135 D HN 0.466 nan 8.370 nan 0.000 0.492 136 Q N -0.538 119.185 119.800 -0.129 0.000 2.134 136 Q HA 0.083 4.423 4.340 0.000 0.000 0.195 136 Q C 2.410 178.285 176.000 -0.208 0.000 0.958 136 Q CA 0.403 56.133 55.803 -0.121 0.000 0.840 136 Q CB 0.197 28.927 28.738 -0.012 0.000 0.918 136 Q HN 0.298 nan 8.270 nan 0.000 0.467 137 L N -0.716 120.269 121.223 -0.396 0.000 2.156 137 L HA -0.084 4.256 4.340 0.000 0.000 0.208 137 L C 0.382 176.772 176.870 -0.801 0.000 1.095 137 L CA 1.040 55.470 54.840 -0.683 0.000 0.770 137 L CB -0.078 41.342 42.059 -1.065 0.000 0.914 137 L HN 0.238 nan 8.230 nan 0.000 0.439 138 H N -2.424 116.540 119.070 -0.177 0.000 2.712 138 H HA 0.164 4.720 4.556 0.000 0.000 0.226 138 H C -1.928 173.365 175.328 -0.058 0.000 1.422 138 H CA -1.193 54.793 56.048 -0.103 0.000 1.270 138 H CB 0.419 30.133 29.762 -0.080 0.000 1.891 138 H HN -0.083 nan 8.280 nan 0.000 0.518 139 P HA -0.211 nan 4.420 nan 0.000 0.215 139 P C 0.977 178.290 177.300 0.021 0.000 1.163 139 P CA 1.435 64.535 63.100 0.000 0.000 0.894 139 P CB 0.451 32.139 31.700 -0.021 0.000 0.791 140 D N -0.871 119.545 120.400 0.026 0.000 2.103 140 D HA -0.048 4.592 4.640 0.000 0.000 0.199 140 D C 1.171 177.481 176.300 0.018 0.000 0.978 140 D CA 0.577 54.588 54.000 0.019 0.000 0.829 140 D CB -1.038 39.771 40.800 0.015 0.000 0.981 140 D HN -0.027 nan 8.370 nan 0.000 0.464 144 N N 0.658 119.339 118.700 -0.032 0.000 2.280 144 N HA 0.428 5.168 4.740 0.000 0.000 0.192 144 N C 0.526 175.989 175.510 -0.078 0.000 1.109 144 N CA 0.425 53.448 53.050 -0.045 0.000 0.855 144 N CB 0.642 39.105 38.487 -0.039 0.000 0.974 144 N HN 0.537 nan 8.380 nan 0.000 0.482 145 A N 0.686 123.443 122.820 -0.105 0.000 2.316 145 A HA 0.388 4.708 4.320 0.000 0.000 0.284 145 A C 0.190 177.662 177.584 -0.187 0.000 1.115 145 A CA -0.114 51.820 52.037 -0.171 0.000 0.812 145 A CB 0.515 19.387 19.000 -0.213 0.000 1.064 145 A HN 0.015 nan 8.150 nan 0.000 0.489 146 T N 2.888 117.307 114.554 -0.225 0.000 2.771 146 T HA 0.485 4.835 4.350 0.000 0.000 0.291 146 T C -0.037 174.450 174.700 -0.354 0.000 0.954 146 T CA 0.070 62.026 62.100 -0.240 0.000 1.045 146 T CB 0.170 68.915 68.868 -0.205 0.000 0.917 146 T HN 0.428 nan 8.240 nan 0.000 0.484 147 L N 3.884 124.830 121.223 -0.462 0.000 2.344 147 L HA 0.764 5.104 4.340 0.000 0.000 0.272 147 L C -0.467 176.087 176.870 -0.526 0.000 1.035 147 L CA -0.899 53.516 54.840 -0.709 0.000 0.807 147 L CB 1.437 42.678 42.059 -1.363 0.000 1.237 147 L HN 0.459 nan 8.230 nan 0.000 0.442 148 L N 3.436 124.459 121.223 -0.335 0.000 2.751 148 L HA 0.388 4.728 4.340 0.000 0.000 0.261 148 L C -2.643 174.252 176.870 0.042 0.000 0.927 148 L CA -1.198 53.609 54.840 -0.054 0.000 0.968 148 L CB 2.623 44.598 42.059 -0.139 0.000 1.432 148 L HN 0.299 nan 8.230 nan 0.000 0.439 149 P HA -0.073 nan 4.420 nan 0.000 0.269 149 P C 0.080 177.489 177.300 0.182 0.000 1.217 149 P CA 0.060 63.258 63.100 0.165 0.000 0.783 149 P CB 0.457 32.231 31.700 0.125 0.000 0.898 150 W N 2.571 123.868 121.300 -0.006 0.000 2.335 150 W HA -0.286 4.374 4.660 0.000 0.000 0.311 150 W C 1.714 178.331 176.519 0.164 0.000 1.213 150 W CA 1.851 59.201 57.345 0.008 0.000 1.274 150 W CB -0.588 28.820 29.460 -0.087 0.000 1.148 150 W HN 0.387 nan 8.180 nan 0.000 0.498 151 A N 0.688 123.571 122.820 0.105 0.000 1.883 151 A HA -0.296 4.024 4.320 0.000 0.000 0.217 151 A C 1.723 179.340 177.584 0.056 0.000 1.186 151 A CA 2.201 54.269 52.037 0.052 0.000 0.624 151 A CB -1.061 17.994 19.000 0.091 0.000 0.822 151 A HN 0.433 nan 8.150 nan 0.000 0.444 152 Q N -1.872 117.960 119.800 0.053 0.000 2.297 152 Q HA -0.080 4.260 4.340 0.000 0.000 0.204 152 Q C 1.686 177.703 176.000 0.028 0.000 0.962 152 Q CA 1.283 57.115 55.803 0.048 0.000 0.879 152 Q CB -0.669 28.101 28.738 0.052 0.000 0.947 152 Q HN 0.864 nan 8.270 nan 0.000 0.462 153 Y N -1.097 119.094 120.300 -0.181 0.000 2.224 153 Y HA -0.245 4.305 4.550 0.000 0.000 0.289 153 Y C 1.118 176.873 175.900 -0.243 0.000 1.146 153 Y CA 1.475 59.380 58.100 -0.325 0.000 1.182 153 Y CB -0.290 37.803 38.460 -0.612 0.000 0.983 153 Y HN 0.149 nan 8.280 nan 0.000 0.524 154 W N -0.270 120.894 121.300 -0.227 0.000 2.518 154 W HA 0.073 4.733 4.660 0.000 0.000 0.273 154 W C 2.525 178.987 176.519 -0.095 0.000 1.247 154 W CA 0.983 58.172 57.345 -0.259 0.000 1.288 154 W CB -0.401 28.889 29.460 -0.283 0.000 1.107 154 W HN 0.106 nan 8.180 nan 0.000 0.586 155 A N -0.968 121.925 122.820 0.122 0.000 2.168 155 A HA -0.139 4.181 4.320 0.000 0.000 0.215 155 A C 1.433 179.069 177.584 0.086 0.000 1.152 155 A CA 1.032 53.122 52.037 0.088 0.000 0.716 155 A CB -0.979 18.058 19.000 0.061 0.000 0.794 155 A HN 0.583 nan 8.150 nan 0.000 0.465 156 W N -1.660 119.552 121.300 -0.147 0.000 2.762 156 W HA 0.126 4.786 4.660 0.000 0.000 0.265 156 W C 1.363 177.765 176.519 -0.195 0.000 1.263 156 W CA 0.479 57.723 57.345 -0.168 0.000 1.411 156 W CB -0.084 29.261 29.460 -0.191 0.000 1.065 156 W HN 0.242 nan 8.180 nan 0.000 0.609 157 F N 1.243 121.014 119.950 -0.297 0.000 2.216 157 F HA -0.089 4.438 4.527 0.000 0.000 0.300 157 F C 1.515 177.098 175.800 -0.360 0.000 1.085 157 F CA 1.889 59.625 58.000 -0.440 0.000 1.326 157 F CB -0.057 38.807 39.000 -0.227 0.000 1.027 157 F HN -0.157 nan 8.300 nan 0.000 0.497 158 L N -1.759 119.416 121.223 -0.079 0.000 2.640 158 L HA 0.130 4.470 4.340 0.000 0.000 0.230 158 L C 1.523 178.279 176.870 -0.191 0.000 1.123 158 L CA 0.622 55.403 54.840 -0.097 0.000 0.900 158 L CB 0.016 42.098 42.059 0.037 0.000 1.146 158 L HN 0.056 nan 8.230 nan 0.000 0.484 159 T N -1.762 112.627 114.554 -0.274 0.000 3.029 159 T HA 0.231 4.581 4.350 0.000 0.000 0.256 159 T C 1.312 175.834 174.700 -0.298 0.000 0.914 159 T CA 0.742 62.712 62.100 -0.217 0.000 0.880 159 T CB 0.535 69.339 68.868 -0.106 0.000 1.246 159 T HN 0.376 nan 8.240 nan 0.000 0.523 160 G N 2.067 110.527 108.800 -0.568 0.000 2.284 160 G HA2 -0.280 3.680 3.960 0.000 0.000 0.261 160 G HA3 -0.280 3.680 3.960 0.000 0.000 0.261 160 G C 0.244 175.019 174.900 -0.208 0.000 0.997 160 G CA 0.629 45.368 45.100 -0.601 0.000 0.621 160 G HN 0.685 nan 8.290 nan 0.000 0.534 161 R N 1.002 121.479 120.500 -0.038 0.000 2.229 161 R HA 0.671 5.011 4.340 0.000 0.000 0.328 161 R C 0.492 176.993 176.300 0.334 0.000 1.009 161 R CA 0.236 56.424 56.100 0.147 0.000 0.864 161 R CB 0.625 30.960 30.300 0.058 0.000 1.085 161 R HN 0.565 nan 8.270 nan 0.000 0.453 162 A N 3.890 126.918 122.820 0.348 0.000 2.331 162 A HA 0.555 4.875 4.320 0.000 0.000 0.283 162 A C -0.772 176.872 177.584 0.099 0.000 1.142 162 A CA -0.401 51.740 52.037 0.173 0.000 0.812 162 A CB 1.074 20.063 19.000 -0.018 0.000 1.074 162 A HN 0.532 nan 8.150 nan 0.000 0.497 163 V N 1.341 121.303 119.914 0.080 0.000 3.147 163 V HA 0.560 4.680 4.120 0.000 0.000 0.306 163 V C -0.032 176.109 176.094 0.078 0.000 1.209 163 V CA -0.539 61.805 62.300 0.074 0.000 1.023 163 V CB 2.723 34.581 31.823 0.059 0.000 1.059 163 V HN 0.981 nan 8.190 nan 0.000 0.435 164 S N 1.557 117.310 115.700 0.088 0.000 2.607 164 S HA 0.709 5.179 4.470 0.000 0.000 0.303 164 S C -1.055 173.536 174.600 -0.015 0.000 1.086 164 S CA -0.579 57.669 58.200 0.079 0.000 0.995 164 S CB 1.968 65.268 63.200 0.166 0.000 1.084 164 S HN 0.711 nan 8.310 nan 0.000 0.507 165 E N 0.790 120.947 120.200 -0.072 0.000 2.317 165 E HA 0.327 4.677 4.350 0.000 0.000 0.270 165 E C 0.173 176.610 176.600 -0.273 0.000 0.885 165 E CA -0.562 55.755 56.400 -0.139 0.000 0.760 165 E CB 2.093 31.740 29.700 -0.088 0.000 1.227 165 E HN 0.352 nan 8.360 nan 0.000 0.434 166 V N 3.627 123.335 119.914 -0.343 0.000 2.515 166 V HA -0.201 3.919 4.120 0.000 0.000 0.250 166 V C 2.178 177.961 176.094 -0.518 0.000 1.058 166 V CA 3.030 64.981 62.300 -0.583 0.000 1.064 166 V CB -0.349 31.186 31.823 -0.479 0.000 0.675 166 V HN 0.884 nan 8.190 nan 0.000 0.461 167 T N -3.402 110.978 114.554 -0.289 0.000 2.867 167 T HA -0.140 4.210 4.350 0.000 0.000 0.268 167 T C 1.962 176.523 174.700 -0.232 0.000 1.057 167 T CA 1.774 63.755 62.100 -0.199 0.000 1.136 167 T CB -0.427 68.402 68.868 -0.065 0.000 0.874 167 T HN 0.426 nan 8.240 nan 0.000 0.466 168 S N 1.405 116.973 115.700 -0.219 0.000 2.387 168 S HA 0.199 4.669 4.470 0.000 0.000 0.226 168 S C 1.900 176.315 174.600 -0.309 0.000 1.026 168 S CA 0.808 58.858 58.200 -0.250 0.000 0.972 168 S CB -0.448 62.696 63.200 -0.094 0.000 0.814 168 S HN 0.458 nan 8.310 nan 0.000 0.477 169 L N 0.688 121.680 121.223 -0.385 0.000 2.201 169 L HA 0.015 4.355 4.340 0.000 0.000 0.212 169 L C 2.398 179.046 176.870 -0.371 0.000 1.105 169 L CA 1.019 55.597 54.840 -0.436 0.000 0.775 169 L CB -0.639 40.932 42.059 -0.814 0.000 0.913 169 L HN 0.375 nan 8.230 nan 0.000 0.440 170 G N -1.586 106.957 108.800 -0.429 0.000 2.985 170 G HA2 -0.125 3.835 3.960 0.000 0.000 0.209 170 G HA3 -0.125 3.835 3.960 0.000 0.000 0.209 170 G C 0.547 175.341 174.900 -0.177 0.000 1.165 170 G CA -0.199 44.771 45.100 -0.217 0.000 0.776 170 G HN 0.375 nan 8.290 nan 0.000 0.541 171 C N 3.102 122.206 119.300 -0.328 0.000 2.484 171 C HA 0.358 4.818 4.460 0.000 0.000 0.494 171 C C 1.116 175.657 174.990 -0.749 0.000 1.052 171 C CA -1.080 57.613 59.018 -0.541 0.000 1.307 171 C CB -2.572 24.681 27.740 -0.812 0.000 1.464 171 C HN 0.827 nan 8.230 nan 0.000 0.564 172 H N 1.869 120.921 119.070 -0.029 0.000 2.394 172 H HA -0.193 4.363 4.556 0.000 0.000 0.322 172 H C 0.797 176.150 175.328 0.043 0.000 1.012 172 H CA 0.831 56.891 56.048 0.021 0.000 1.084 172 H CB -1.888 27.883 29.762 0.015 0.000 1.597 172 H HN 0.667 nan 8.280 nan 0.000 0.375 173 S N -1.607 114.153 115.700 0.100 0.000 2.512 173 S HA 0.088 4.558 4.470 0.000 0.000 0.216 173 S C 0.936 175.686 174.600 0.250 0.000 1.006 173 S CA 0.176 58.460 58.200 0.141 0.000 0.915 173 S CB 0.547 63.791 63.200 0.074 0.000 0.824 173 S HN 0.571 nan 8.310 nan 0.000 0.497 174 D N 0.505 121.054 120.400 0.248 0.000 2.946 174 D HA -0.133 4.507 4.640 0.000 0.000 0.202 174 D C 0.614 177.103 176.300 0.314 0.000 1.068 174 D CA 1.333 55.500 54.000 0.277 0.000 1.011 174 D CB -1.603 39.423 40.800 0.377 0.000 1.105 174 D HN 0.499 nan 8.370 nan 0.000 0.425 175 L N -1.365 120.060 121.223 0.337 0.000 2.607 175 L HA 0.192 4.532 4.340 0.000 0.000 0.228 175 L C 0.826 177.970 176.870 0.457 0.000 1.123 175 L CA 0.146 55.237 54.840 0.420 0.000 0.890 175 L CB 0.188 42.484 42.059 0.396 0.000 1.103 175 L HN 0.098 nan 8.230 nan 0.000 0.468 176 W N 1.050 122.367 121.300 0.029 0.000 2.819 176 W HA 0.257 4.917 4.660 0.000 0.000 0.337 176 W C -1.257 175.224 176.519 -0.062 0.000 1.077 176 W CA -0.585 56.713 57.345 -0.078 0.000 1.226 176 W CB 2.412 31.780 29.460 -0.152 0.000 1.419 176 W HN -0.214 nan 8.180 nan 0.000 0.502 177 D N 6.073 125.989 120.400 -0.806 0.000 2.473 177 D HA 0.251 4.891 4.640 0.000 0.000 0.226 177 D C -1.763 174.142 176.300 -0.659 0.000 1.089 177 D CA -2.265 51.389 54.000 -0.578 0.000 0.883 177 D CB 1.896 42.406 40.800 -0.484 0.000 1.029 177 D HN -0.065 nan 8.370 nan 0.000 0.517 178 P HA -0.162 nan 4.420 nan 0.000 0.213 178 P C 1.500 178.749 177.300 -0.086 0.000 1.170 178 P CA 1.100 64.174 63.100 -0.043 0.000 0.898 178 P CB 0.411 32.121 31.700 0.017 0.000 0.787 179 Q N -0.498 119.236 119.800 -0.110 0.000 2.061 179 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 179 Q C 1.959 177.892 176.000 -0.111 0.000 0.984 179 Q CA 1.681 57.432 55.803 -0.087 0.000 0.846 179 Q CB -1.332 27.355 28.738 -0.084 0.000 0.902 179 Q HN 0.280 nan 8.270 nan 0.000 0.421 180 D N -0.900 119.389 120.400 -0.185 0.000 2.269 180 D HA -0.028 4.612 4.640 0.000 0.000 0.208 180 D C 0.547 176.710 176.300 -0.229 0.000 0.963 180 D CA 1.083 54.964 54.000 -0.198 0.000 0.864 180 D CB -0.120 40.540 40.800 -0.233 0.000 0.936 180 D HN 0.433 nan 8.370 nan 0.000 0.505 181 G N 1.052 109.664 108.800 -0.313 0.000 2.272 181 G HA2 -0.228 3.732 3.960 0.000 0.000 0.280 181 G HA3 -0.228 3.732 3.960 0.000 0.000 0.280 181 G C -0.168 174.463 174.900 -0.448 0.000 1.067 181 G CA 0.569 45.552 45.100 -0.195 0.000 0.902 181 G HN 0.489 nan 8.290 nan 0.000 0.500 182 D N -1.667 118.024 120.400 -1.182 0.000 2.615 182 D HA 0.594 5.234 4.640 0.000 0.000 0.267 182 D C 0.266 175.619 176.300 -1.577 0.000 1.236 182 D CA -0.852 52.491 54.000 -1.096 0.000 0.839 182 D CB 0.731 41.290 40.800 -0.401 0.000 1.380 182 D HN -0.079 nan 8.370 nan 0.000 0.433 183 F N 0.933 120.511 119.950 -0.621 0.000 2.589 183 F HA 0.116 4.643 4.527 0.000 0.000 0.352 183 F C 1.692 177.346 175.800 -0.245 0.000 1.168 183 F CA 0.150 58.018 58.000 -0.220 0.000 1.353 183 F CB 0.520 39.544 39.000 0.041 0.000 1.116 183 F HN 0.116 nan 8.300 nan 0.000 0.608 184 S N 2.317 118.082 115.700 0.108 0.000 2.593 184 S HA 0.355 4.825 4.470 0.000 0.000 0.269 184 S C -2.465 172.162 174.600 0.045 0.000 1.334 184 S CA -1.398 56.816 58.200 0.023 0.000 1.015 184 S CB 0.716 63.959 63.200 0.072 0.000 0.912 184 S HN 0.235 nan 8.310 nan 0.000 0.541 188 K N 0.444 120.864 120.400 0.032 0.000 2.007 188 K HA 0.038 4.358 4.320 0.000 0.000 0.206 188 K C 2.162 178.741 176.600 -0.035 0.000 1.047 188 K CA 1.309 57.592 56.287 -0.007 0.000 0.937 188 K CB -0.119 32.389 32.500 0.013 0.000 0.718 188 K HN 0.381 nan 8.250 nan 0.000 0.438 189 R N 1.014 121.484 120.500 -0.050 0.000 2.113 189 R HA -0.133 4.207 4.340 0.000 0.000 0.244 189 R C 2.069 178.303 176.300 -0.111 0.000 1.142 189 R CA 1.486 57.545 56.100 -0.068 0.000 0.953 189 R CB -0.308 29.950 30.300 -0.069 0.000 0.860 189 R HN 0.164 nan 8.270 nan 0.000 0.438 190 L N -0.846 120.245 121.223 -0.220 0.000 2.552 190 L HA 0.080 4.420 4.340 0.000 0.000 0.227 190 L C 1.328 178.070 176.870 -0.213 0.000 1.146 190 L CA 0.637 55.262 54.840 -0.358 0.000 0.858 190 L CB 0.096 41.595 42.059 -0.934 0.000 0.969 190 L HN 0.611 nan 8.230 nan 0.000 0.451 191 G N -1.640 107.115 108.800 -0.076 0.000 2.159 191 G HA2 -0.263 3.697 3.960 0.000 0.000 0.256 191 G HA3 -0.263 3.697 3.960 0.000 0.000 0.256 191 G C 0.488 175.510 174.900 0.203 0.000 0.977 191 G CA 0.205 45.332 45.100 0.045 0.000 0.652 191 G HN 0.269 nan 8.290 nan 0.000 0.531 192 W N 0.300 121.626 121.300 0.043 0.000 2.381 192 W HA 0.290 4.950 4.660 0.000 0.000 0.301 192 W C 2.720 179.277 176.519 0.064 0.000 1.205 192 W CA 1.414 58.811 57.345 0.087 0.000 1.285 192 W CB -1.352 28.224 29.460 0.193 0.000 1.133 192 W HN 0.588 nan 8.180 nan 0.000 0.521 193 A N 0.486 123.352 122.820 0.076 0.000 1.978 193 A HA -0.029 4.291 4.320 0.000 0.000 0.220 193 A C 2.189 179.623 177.584 -0.251 0.000 1.170 193 A CA 2.519 54.240 52.037 -0.526 0.000 0.636 193 A CB -0.999 17.575 19.000 -0.710 0.000 0.810 193 A HN 0.132 nan 8.150 nan 0.000 0.448 194 A N -0.518 122.276 122.820 -0.044 0.000 2.119 194 A HA -0.034 4.286 4.320 0.000 0.000 0.217 194 A C 2.109 179.715 177.584 0.036 0.000 1.153 194 A CA 1.056 53.097 52.037 0.006 0.000 0.692 194 A CB -0.318 18.693 19.000 0.019 0.000 0.799 194 A HN 0.566 nan 8.150 nan 0.000 0.458 195 R N -1.892 118.637 120.500 0.049 0.000 2.240 195 R HA 0.154 4.494 4.340 0.000 0.000 0.203 195 R C -0.517 175.729 176.300 -0.090 0.000 1.011 195 R CA -0.113 55.965 56.100 -0.038 0.000 1.007 195 R CB -0.073 30.166 30.300 -0.101 0.000 0.911 195 R HN 0.452 nan 8.270 nan 0.000 0.468 196 F N 1.507 121.434 119.950 -0.039 0.000 2.471 196 F HA 0.166 4.693 4.527 0.000 0.000 0.353 196 F C 1.041 176.872 175.800 0.052 0.000 1.113 196 F CA -0.634 57.384 58.000 0.030 0.000 1.262 196 F CB 0.513 39.607 39.000 0.157 0.000 1.146 196 F HN 0.033 nan 8.300 nan 0.000 0.578 197 A N 5.310 128.244 122.820 0.190 0.000 2.520 197 A HA 0.276 4.596 4.320 0.000 0.000 0.235 197 A C -2.327 175.375 177.584 0.196 0.000 1.065 197 A CA -1.268 50.850 52.037 0.135 0.000 0.764 197 A CB -0.631 18.412 19.000 0.072 0.000 1.002 197 A HN 0.465 nan 8.150 nan 0.000 0.502 198 P HA 0.041 nan 4.420 nan 0.000 0.262 198 P C -0.387 176.986 177.300 0.121 0.000 1.182 198 P CA 0.526 63.709 63.100 0.140 0.000 0.761 198 P CB 0.163 31.921 31.700 0.096 0.000 0.795 199 I N 3.112 123.755 120.570 0.122 0.000 2.556 199 I HA 0.090 4.260 4.170 0.000 0.000 0.284 199 I C 0.603 176.733 176.117 0.022 0.000 1.114 199 I CA 0.395 61.723 61.300 0.047 0.000 1.418 199 I CB 0.436 38.438 38.000 0.004 0.000 1.394 199 I HN 0.073 nan 8.210 nan 0.000 0.552 200 V N 6.908 126.817 119.914 -0.008 0.000 3.102 200 V HA 0.442 4.562 4.120 0.000 0.000 0.312 200 V C -0.138 175.927 176.094 -0.048 0.000 1.135 200 V CA -0.888 61.403 62.300 -0.015 0.000 1.022 200 V CB 2.566 34.388 31.823 -0.002 0.000 1.056 200 V HN 0.651 nan 8.190 nan 0.000 0.436 201 R N 1.681 122.150 120.500 -0.051 0.000 2.390 201 R HA 0.471 4.811 4.340 0.000 0.000 0.291 201 R C 1.230 177.475 176.300 -0.092 0.000 1.070 201 R CA 0.252 56.302 56.100 -0.084 0.000 1.014 201 R CB 0.899 31.149 30.300 -0.083 0.000 1.007 201 R HN 0.885 nan 8.270 nan 0.000 0.466 202 A N 2.898 125.648 122.820 -0.117 0.000 1.997 202 A HA -0.192 4.128 4.320 0.000 0.000 0.221 202 A C 1.936 179.458 177.584 -0.103 0.000 1.172 202 A CA 2.147 54.120 52.037 -0.108 0.000 0.645 202 A CB -0.735 18.189 19.000 -0.126 0.000 0.813 202 A HN 0.916 nan 8.150 nan 0.000 0.454 203 G N -1.169 107.561 108.800 -0.116 0.000 2.880 203 G HA2 0.161 4.121 3.960 0.000 0.000 0.209 203 G HA3 0.161 4.121 3.960 0.000 0.000 0.209 203 G C 0.032 174.887 174.900 -0.075 0.000 1.157 203 G CA 0.184 45.222 45.100 -0.103 0.000 0.779 203 G HN 0.399 nan 8.290 nan 0.000 0.539 204 D N 0.920 121.282 120.400 -0.064 0.000 2.378 204 D HA 0.187 4.827 4.640 0.000 0.000 0.238 204 D C 0.239 176.516 176.300 -0.038 0.000 1.180 204 D CA 0.651 54.625 54.000 -0.043 0.000 0.895 204 D CB 0.827 41.607 40.800 -0.033 0.000 1.192 204 D HN -0.122 nan 8.370 nan 0.000 0.438 205 T N 1.098 115.634 114.554 -0.029 0.000 2.749 205 T HA 0.185 4.535 4.350 0.000 0.000 0.295 205 T C 1.668 176.358 174.700 -0.017 0.000 0.936 205 T CA -0.693 61.391 62.100 -0.026 0.000 1.060 205 T CB 1.115 69.968 68.868 -0.025 0.000 0.904 205 T HN 0.053 nan 8.240 nan 0.000 0.500 206 V N 2.684 122.590 119.914 -0.014 0.000 2.453 206 V HA 0.252 4.372 4.120 0.000 0.000 0.247 206 V C 1.490 177.579 176.094 -0.008 0.000 1.048 206 V CA 1.675 63.974 62.300 -0.002 0.000 1.049 206 V CB -1.036 30.792 31.823 0.008 0.000 0.672 206 V HN 1.152 nan 8.190 nan 0.000 0.457 207 G N -1.838 106.951 108.800 -0.020 0.000 2.341 207 G HA2 0.509 4.469 3.960 0.000 0.000 0.293 207 G HA3 0.509 4.469 3.960 0.000 0.000 0.293 207 G C -0.984 173.894 174.900 -0.036 0.000 1.298 207 G CA -0.309 44.775 45.100 -0.028 0.000 0.868 207 G HN 0.511 nan 8.290 nan 0.000 0.540 208 A N -0.745 122.050 122.820 -0.040 0.000 2.332 208 A HA 0.680 5.000 4.320 0.000 0.000 0.258 208 A C 0.359 177.909 177.584 -0.058 0.000 1.087 208 A CA -0.252 51.760 52.037 -0.043 0.000 0.802 208 A CB 0.789 19.765 19.000 -0.040 0.000 1.042 208 A HN 1.723 nan 8.150 nan 0.000 0.489 209 L N 1.281 122.472 121.223 -0.053 0.000 2.525 209 L HA 0.106 4.446 4.340 0.000 0.000 0.278 209 L C 0.028 176.846 176.870 -0.087 0.000 1.218 209 L CA -0.003 54.797 54.840 -0.066 0.000 0.878 209 L CB -0.134 41.897 42.059 -0.047 0.000 1.127 209 L HN 0.592 nan 8.230 nan 0.000 0.492 210 L N 8.679 129.827 121.223 -0.126 0.000 2.578 210 L HA 0.044 4.384 4.340 0.000 0.000 0.279 210 L C -1.317 175.484 176.870 -0.114 0.000 1.227 210 L CA -0.659 54.093 54.840 -0.148 0.000 0.900 210 L CB -0.045 41.879 42.059 -0.225 0.000 1.144 210 L HN 0.575 nan 8.230 nan 0.000 0.496 211 P HA -0.202 nan 4.420 nan 0.000 0.214 211 P C 1.276 178.529 177.300 -0.079 0.000 1.163 211 P CA 2.125 65.179 63.100 -0.076 0.000 0.889 211 P CB 0.130 31.789 31.700 -0.069 0.000 0.790 212 A N -1.323 121.439 122.820 -0.097 0.000 2.076 212 A HA -0.177 4.143 4.320 0.000 0.000 0.220 212 A C 2.235 179.760 177.584 -0.098 0.000 1.160 212 A CA 1.404 53.384 52.037 -0.096 0.000 0.653 212 A CB -1.480 17.451 19.000 -0.116 0.000 0.801 212 A HN 0.157 nan 8.150 nan 0.000 0.455 213 I N -1.276 119.225 120.570 -0.114 0.000 2.556 213 I HA -0.086 4.084 4.170 0.000 0.000 0.251 213 I C 2.858 178.941 176.117 -0.056 0.000 1.105 213 I CA 0.786 62.028 61.300 -0.097 0.000 1.436 213 I CB -0.343 37.579 38.000 -0.130 0.000 1.139 213 I HN 0.329 nan 8.210 nan 0.000 0.438 214 A N 0.520 123.306 122.820 -0.056 0.000 2.032 214 A HA -0.283 4.037 4.320 0.000 0.000 0.221 214 A C 2.032 179.599 177.584 -0.028 0.000 1.165 214 A CA 1.999 54.015 52.037 -0.036 0.000 0.645 214 A CB -0.478 18.500 19.000 -0.037 0.000 0.807 214 A HN 0.402 nan 8.150 nan 0.000 0.453 215 E N 0.502 120.680 120.200 -0.036 0.000 1.999 215 E HA -0.171 4.179 4.350 0.000 0.000 0.194 215 E C 2.058 178.645 176.600 -0.022 0.000 0.995 215 E CA 1.744 58.127 56.400 -0.029 0.000 0.825 215 E CB -0.299 29.380 29.700 -0.035 0.000 0.777 215 E HN 0.680 nan 8.360 nan 0.000 0.459 216 R N -0.165 120.321 120.500 -0.024 0.000 2.357 216 R HA 0.008 4.348 4.340 0.000 0.000 0.202 216 R C 1.767 178.059 176.300 -0.013 0.000 1.047 216 R CA 1.522 57.613 56.100 -0.016 0.000 1.034 216 R CB -0.708 29.584 30.300 -0.013 0.000 0.875 216 R HN 0.289 nan 8.270 nan 0.000 0.473 217 T N -4.331 110.216 114.554 -0.011 0.000 2.990 217 T HA 0.256 4.606 4.350 0.000 0.000 0.250 217 T C 1.508 176.209 174.700 0.002 0.000 1.041 217 T CA 0.183 62.281 62.100 -0.004 0.000 1.010 217 T CB 0.443 69.314 68.868 0.006 0.000 1.003 217 T HN 0.376 nan 8.240 nan 0.000 0.499 218 G N 1.580 110.379 108.800 -0.002 0.000 2.153 218 G HA2 -0.214 3.746 3.960 0.000 0.000 0.252 218 G HA3 -0.214 3.746 3.960 0.000 0.000 0.252 218 G C -0.069 174.839 174.900 0.013 0.000 0.994 218 G CA 0.446 45.547 45.100 0.001 0.000 0.698 218 G HN 0.655 nan 8.290 nan 0.000 0.521 219 L N 0.644 121.876 121.223 0.014 0.000 2.399 219 L HA 0.563 4.903 4.340 0.000 0.000 0.266 219 L C 1.365 178.238 176.870 0.005 0.000 1.114 219 L CA -0.318 54.534 54.840 0.020 0.000 0.804 219 L CB 1.476 43.549 42.059 0.023 0.000 1.146 219 L HN 0.229 nan 8.230 nan 0.000 0.451 220 S N 1.822 117.525 115.700 0.006 0.000 2.560 220 S HA 0.130 4.600 4.470 0.000 0.000 0.284 220 S C -1.632 172.961 174.600 -0.012 0.000 1.327 220 S CA -1.002 57.196 58.200 -0.003 0.000 1.055 220 S CB 0.821 64.020 63.200 -0.000 0.000 0.868 220 S HN 0.376 nan 8.310 nan 0.000 0.506 221 P HA 0.000 nan 4.420 nan 0.000 0.228 221 P C 0.378 177.663 177.300 -0.026 0.000 1.151 221 P CA 0.726 63.810 63.100 -0.027 0.000 0.770 221 P CB 0.084 31.767 31.700 -0.029 0.000 0.786 222 D N -1.110 119.278 120.400 -0.019 0.000 2.347 222 D HA -0.000 4.640 4.640 0.000 0.000 0.213 222 D C 0.419 176.708 176.300 -0.018 0.000 0.985 222 D CA 0.309 54.298 54.000 -0.018 0.000 0.879 222 D CB 0.039 40.831 40.800 -0.013 0.000 0.919 222 D HN 0.006 nan 8.370 nan 0.000 0.526 223 V N 2.510 122.414 119.914 -0.017 0.000 2.644 223 V HA -0.117 4.003 4.120 0.000 0.000 0.305 223 V C 0.610 176.689 176.094 -0.025 0.000 1.053 223 V CA 0.467 62.757 62.300 -0.018 0.000 1.186 223 V CB 0.682 32.496 31.823 -0.015 0.000 0.895 223 V HN 0.056 nan 8.190 nan 0.000 0.490 224 Q N 3.551 123.335 119.800 -0.026 0.000 2.293 224 Q HA 0.499 4.839 4.340 0.000 0.000 0.261 224 Q C -0.672 175.309 176.000 -0.032 0.000 0.960 224 Q CA -0.520 55.265 55.803 -0.029 0.000 0.882 224 Q CB 2.003 30.723 28.738 -0.029 0.000 1.275 224 Q HN 0.558 nan 8.270 nan 0.000 0.445 225 V N 3.498 123.394 119.914 -0.030 0.000 2.481 225 V HA 0.312 4.432 4.120 0.000 0.000 0.286 225 V C 0.056 176.133 176.094 -0.028 0.000 1.042 225 V CA -0.738 61.545 62.300 -0.027 0.000 0.928 225 V CB 1.254 33.066 31.823 -0.018 0.000 0.986 225 V HN 0.549 nan 8.190 nan 0.000 0.462 226 L N 2.995 124.197 121.223 -0.035 0.000 2.387 226 L HA 0.586 4.926 4.340 0.000 0.000 0.266 226 L C 1.480 178.333 176.870 -0.028 0.000 1.059 226 L CA 0.557 55.373 54.840 -0.041 0.000 0.801 226 L CB 0.991 43.012 42.059 -0.064 0.000 1.223 226 L HN 0.704 nan 8.230 nan 0.000 0.456 227 A N 1.514 124.316 122.820 -0.031 0.000 1.892 227 A HA 0.279 4.599 4.320 0.000 0.000 0.218 227 A C 1.125 178.697 177.584 -0.019 0.000 1.188 227 A CA 1.602 53.627 52.037 -0.020 0.000 0.631 227 A CB -1.155 17.826 19.000 -0.032 0.000 0.822 227 A HN 1.294 nan 8.150 nan 0.000 0.447 228 G N -2.414 106.361 108.800 -0.042 0.000 2.660 228 G HA2 0.302 4.262 3.960 0.000 0.000 0.247 228 G HA3 0.302 4.262 3.960 0.000 0.000 0.247 228 G C -0.613 174.263 174.900 -0.041 0.000 1.328 228 G CA 0.019 45.094 45.100 -0.042 0.000 0.884 228 G HN 1.861 nan 8.290 nan 0.000 0.531 229 L N -3.883 117.326 121.223 -0.023 0.000 2.828 229 L HA 0.757 5.097 4.340 0.000 0.000 0.264 229 L C 0.130 177.038 176.870 0.064 0.000 1.106 229 L CA -1.123 53.715 54.840 -0.003 0.000 0.955 229 L CB 1.088 43.123 42.059 -0.039 0.000 1.558 229 L HN 1.116 nan 8.230 nan 0.000 0.386 230 H N 0.272 119.327 119.070 -0.025 0.000 2.652 230 H HA 0.115 4.671 4.556 0.000 0.000 0.349 230 H C -0.106 175.242 175.328 0.034 0.000 1.099 230 H CA 0.104 56.159 56.048 0.012 0.000 1.417 230 H CB 1.299 31.050 29.762 -0.018 0.000 1.457 230 H HN 0.826 nan 8.280 nan 0.000 0.568 231 D N 2.695 122.854 120.400 -0.402 0.000 2.303 231 D HA -0.228 4.412 4.640 0.000 0.000 0.190 231 D C 1.955 178.043 176.300 -0.353 0.000 1.011 231 D CA 2.194 55.994 54.000 -0.333 0.000 0.860 231 D CB -0.276 40.376 40.800 -0.248 0.000 0.961 231 D HN 0.519 nan 8.370 nan 0.000 0.453 232 S N -0.107 115.226 115.700 -0.611 0.000 2.400 232 S HA -0.105 4.365 4.470 0.000 0.000 0.232 232 S C 1.561 176.125 174.600 -0.058 0.000 1.025 232 S CA 0.644 58.726 58.200 -0.195 0.000 0.993 232 S CB -0.211 62.969 63.200 -0.033 0.000 0.808 232 S HN 0.310 nan 8.310 nan 0.000 0.478 233 N N 1.322 119.999 118.700 -0.038 0.000 2.459 233 N HA 0.032 4.772 4.740 0.000 0.000 0.181 233 N C 1.844 177.330 175.510 -0.039 0.000 1.046 233 N CA 0.790 53.839 53.050 -0.000 0.000 0.904 233 N CB -0.190 38.310 38.487 0.021 0.000 0.964 233 N HN 0.384 nan 8.380 nan 0.000 0.444 234 A N 1.704 124.483 122.820 -0.068 0.000 1.883 234 A HA -0.104 4.216 4.320 0.000 0.000 0.217 234 A C 2.424 179.971 177.584 -0.060 0.000 1.186 234 A CA 1.929 53.914 52.037 -0.087 0.000 0.624 234 A CB -0.757 18.192 19.000 -0.084 0.000 0.822 234 A HN 0.315 nan 8.150 nan 0.000 0.444 235 A N -0.627 122.182 122.820 -0.019 0.000 1.972 235 A HA 0.017 4.337 4.320 0.000 0.000 0.219 235 A C 2.158 179.765 177.584 0.038 0.000 1.169 235 A CA 1.408 53.460 52.037 0.025 0.000 0.635 235 A CB -0.506 18.521 19.000 0.046 0.000 0.810 235 A HN 0.491 nan 8.150 nan 0.000 0.446 236 L N -0.913 120.325 121.223 0.025 0.000 2.044 236 L HA -0.137 4.203 4.340 0.000 0.000 0.205 236 L C 2.578 179.458 176.870 0.016 0.000 1.075 236 L CA 0.925 55.789 54.840 0.040 0.000 0.747 236 L CB -0.609 41.475 42.059 0.043 0.000 0.903 236 L HN 0.372 nan 8.230 nan 0.000 0.435 237 L N -0.123 121.081 121.223 -0.031 0.000 1.997 237 L HA -0.309 4.031 4.340 0.000 0.000 0.216 237 L C 2.908 179.721 176.870 -0.095 0.000 1.074 237 L CA 1.574 56.365 54.840 -0.082 0.000 0.763 237 L CB -0.678 41.285 42.059 -0.159 0.000 0.890 237 L HN 0.303 nan 8.230 nan 0.000 0.434 238 A N -0.189 122.581 122.820 -0.084 0.000 1.859 238 A HA -0.292 4.028 4.320 0.000 0.000 0.217 238 A C 2.500 180.044 177.584 -0.067 0.000 1.198 238 A CA 2.275 54.303 52.037 -0.016 0.000 0.629 238 A CB -1.073 17.989 19.000 0.104 0.000 0.830 238 A HN 0.477 nan 8.150 nan 0.000 0.446 239 A N -0.428 122.429 122.820 0.062 0.000 1.927 239 A HA -0.241 4.079 4.320 0.000 0.000 0.220 239 A C 2.175 179.861 177.584 0.170 0.000 1.185 239 A CA 1.784 53.958 52.037 0.229 0.000 0.639 239 A CB -0.557 18.578 19.000 0.225 0.000 0.820 239 A HN 0.575 nan 8.150 nan 0.000 0.451 240 R N -0.813 119.726 120.500 0.064 0.000 2.316 240 R HA -0.039 4.301 4.340 0.000 0.000 0.202 240 R C 2.095 178.397 176.300 0.003 0.000 1.029 240 R CA 0.579 56.708 56.100 0.048 0.000 1.018 240 R CB -0.366 29.954 30.300 0.033 0.000 0.888 240 R HN 0.552 nan 8.270 nan 0.000 0.471 241 G N 0.929 109.682 108.800 -0.079 0.000 2.421 241 G HA2 -0.132 3.828 3.960 0.000 0.000 0.217 241 G HA3 -0.132 3.828 3.960 0.000 0.000 0.217 241 G C 0.326 175.149 174.900 -0.127 0.000 1.143 241 G CA -0.095 44.934 45.100 -0.118 0.000 0.784 241 G HN 0.038 nan 8.290 nan 0.000 0.541 242 F N 0.703 120.659 119.950 0.009 0.000 2.602 242 F HA 0.364 4.891 4.527 0.000 0.000 0.367 242 F C 1.704 177.471 175.800 -0.055 0.000 1.126 242 F CA -0.185 57.789 58.000 -0.044 0.000 1.321 242 F CB 1.010 39.953 39.000 -0.094 0.000 1.094 242 F HN 0.099 nan 8.300 nan 0.000 0.594 243 A N 2.135 125.039 122.820 0.140 0.000 2.019 243 A HA -0.150 4.170 4.320 0.000 0.000 0.219 243 A C 1.897 179.495 177.584 0.022 0.000 1.164 243 A CA 1.477 53.547 52.037 0.056 0.000 0.644 243 A CB -0.544 18.479 19.000 0.038 0.000 0.805 243 A HN 0.791 nan 8.150 nan 0.000 0.449 244 E N -0.505 119.676 120.200 -0.031 0.000 2.299 244 E HA -0.005 4.345 4.350 0.000 0.000 0.193 244 E C 1.584 178.174 176.600 -0.016 0.000 0.998 244 E CA 0.540 56.890 56.400 -0.083 0.000 0.851 244 E CB 0.026 29.517 29.700 -0.349 0.000 0.795 244 E HN 0.586 nan 8.360 nan 0.000 0.492 245 I N 0.006 120.592 120.570 0.026 0.000 2.731 245 I HA 0.158 4.328 4.170 0.000 0.000 0.235 245 I C 1.894 178.049 176.117 0.063 0.000 1.064 245 I CA 0.944 62.286 61.300 0.070 0.000 1.439 245 I CB -1.576 36.502 38.000 0.130 0.000 1.255 245 I HN 0.106 nan 8.210 nan 0.000 0.446 246 A N 1.234 124.093 122.820 0.064 0.000 5.213 246 A HA -0.397 3.923 4.320 0.000 0.000 0.347 246 A C 1.497 179.100 177.584 0.031 0.000 1.682 246 A CA 2.506 54.566 52.037 0.039 0.000 0.701 246 A CB -1.877 17.141 19.000 0.030 0.000 1.474 246 A HN 0.478 nan 8.150 nan 0.000 0.405 247 D N 0.339 120.751 120.400 0.020 0.000 2.398 247 D HA 0.192 4.832 4.640 0.000 0.000 0.210 247 D C 0.184 176.491 176.300 0.013 0.000 1.094 247 D CA 0.098 54.101 54.000 0.005 0.000 0.839 247 D CB -0.218 40.577 40.800 -0.009 0.000 0.963 247 D HN 0.468 nan 8.370 nan 0.000 0.506 248 N N 1.170 119.887 118.700 0.028 0.000 2.399 248 N HA -0.039 4.701 4.740 0.000 0.000 0.250 248 N C 0.367 175.902 175.510 0.041 0.000 1.272 248 N CA 0.066 53.138 53.050 0.035 0.000 0.928 248 N CB 0.487 39.003 38.487 0.048 0.000 1.158 248 N HN 0.051 nan 8.380 nan 0.000 0.463 249 E N 0.470 120.695 120.200 0.041 0.000 2.406 249 E HA 0.246 4.596 4.350 0.000 0.000 0.258 249 E C -1.007 175.631 176.600 0.063 0.000 1.043 249 E CA 0.156 56.583 56.400 0.046 0.000 0.929 249 E CB 0.181 29.904 29.700 0.040 0.000 0.969 249 E HN 0.562 nan 8.360 nan 0.000 0.462 250 A N 3.510 126.371 122.820 0.069 0.000 2.606 250 A HA 0.625 4.945 4.320 0.000 0.000 0.293 250 A C -0.865 176.772 177.584 0.089 0.000 1.082 250 A CA -0.625 51.465 52.037 0.088 0.000 0.685 250 A CB 1.986 21.046 19.000 0.100 0.000 1.284 250 A HN 0.428 nan 8.150 nan 0.000 0.408 251 T N 0.927 115.541 114.554 0.100 0.000 2.881 251 T HA 0.540 4.890 4.350 0.000 0.000 0.290 251 T C -0.903 173.865 174.700 0.114 0.000 1.000 251 T CA -0.316 61.845 62.100 0.101 0.000 0.978 251 T CB 1.389 70.316 68.868 0.097 0.000 0.997 251 T HN 0.641 nan 8.240 nan 0.000 0.443 252 V N 4.307 124.290 119.914 0.114 0.000 2.407 252 V HA 0.462 4.582 4.120 0.000 0.000 0.278 252 V C -0.281 175.885 176.094 0.120 0.000 1.037 252 V CA -0.734 61.638 62.300 0.119 0.000 0.900 252 V CB 1.257 33.150 31.823 0.117 0.000 0.983 252 V HN 0.686 nan 8.190 nan 0.000 0.459 253 L N 6.385 127.682 121.223 0.122 0.000 2.301 253 L HA 0.552 4.892 4.340 0.000 0.000 0.278 253 L C 0.489 177.408 176.870 0.081 0.000 1.022 253 L CA 0.259 55.176 54.840 0.128 0.000 0.854 253 L CB 1.361 43.521 42.059 0.169 0.000 1.226 253 L HN 0.756 nan 8.230 nan 0.000 0.429 254 S N 2.296 118.031 115.700 0.059 0.000 2.586 254 S HA 0.825 5.295 4.470 0.000 0.000 0.274 254 S C 0.184 174.706 174.600 -0.130 0.000 1.281 254 S CA -0.013 58.192 58.200 0.009 0.000 1.035 254 S CB 1.241 64.472 63.200 0.051 0.000 0.962 254 S HN 0.767 nan 8.310 nan 0.000 0.512 255 T N -1.125 113.295 114.554 -0.223 0.000 2.907 255 T HA 0.942 5.292 4.350 0.000 0.000 0.290 255 T C 0.401 175.034 174.700 -0.112 0.000 1.066 255 T CA -0.158 61.592 62.100 -0.584 0.000 1.012 255 T CB 1.241 69.520 68.868 -0.981 0.000 1.184 255 T HN 1.839 nan 8.240 nan 0.000 0.522 256 G N 0.129 108.966 108.800 0.061 0.000 2.288 256 G HA2 0.163 4.123 3.960 0.000 0.000 0.227 256 G HA3 0.163 4.123 3.960 0.000 0.000 0.227 256 G C 0.583 175.675 174.900 0.319 0.000 1.339 256 G CA 0.244 45.525 45.100 0.302 0.000 1.057 256 G HN 0.828 nan 8.290 nan 0.000 0.470 257 T N -0.243 114.432 114.554 0.202 0.000 2.665 257 T HA -0.057 4.293 4.350 0.000 0.000 0.268 257 T C 0.543 175.183 174.700 -0.101 0.000 1.035 257 T CA 2.037 64.162 62.100 0.041 0.000 1.151 257 T CB -0.192 68.698 68.868 0.036 0.000 0.862 257 T HN 0.322 nan 8.240 nan 0.000 0.438 258 W N 0.295 121.620 121.300 0.042 0.000 2.433 258 W HA 0.528 5.188 4.660 0.000 0.000 0.315 258 W C -1.039 175.536 176.519 0.092 0.000 1.087 258 W CA -1.228 56.123 57.345 0.010 0.000 1.205 258 W CB 0.554 30.023 29.460 0.015 0.000 1.288 258 W HN -0.073 nan 8.180 nan 0.000 0.504 259 F N 4.825 124.626 119.950 -0.248 0.000 2.404 259 F HA 0.453 4.980 4.527 0.000 0.000 0.358 259 F C 0.217 176.021 175.800 0.007 0.000 1.120 259 F CA -1.413 56.425 58.000 -0.270 0.000 1.144 259 F CB 0.271 38.812 39.000 -0.764 0.000 1.133 259 F HN -0.020 nan 8.300 nan 0.000 0.495 260 I N 3.522 124.221 120.570 0.215 0.000 2.447 260 I HA 0.573 4.743 4.170 0.000 0.000 0.287 260 I C -0.025 176.208 176.117 0.193 0.000 1.023 260 I CA -0.725 60.708 61.300 0.220 0.000 1.083 260 I CB 1.539 39.638 38.000 0.164 0.000 1.245 260 I HN 0.629 nan 8.210 nan 0.000 0.434 264 L N 4.745 126.010 121.223 0.069 0.000 2.360 264 L HA 0.453 4.793 4.340 0.000 0.000 0.265 264 L C -2.188 174.711 176.870 0.048 0.000 1.066 264 L CA -2.021 52.855 54.840 0.059 0.000 0.929 264 L CB 1.304 43.400 42.059 0.061 0.000 1.306 264 L HN 0.374 nan 8.230 nan 0.000 0.434 265 P HA 0.043 nan 4.420 nan 0.000 0.268 265 P C 0.338 177.651 177.300 0.023 0.000 1.205 265 P CA 0.013 63.133 63.100 0.034 0.000 0.771 265 P CB 1.331 33.051 31.700 0.032 0.000 0.858 266 A N 2.099 124.931 122.820 0.021 0.000 2.147 266 A HA 0.160 4.480 4.320 0.000 0.000 0.211 266 A C 0.843 178.432 177.584 0.007 0.000 1.160 266 A CA 0.992 53.035 52.037 0.011 0.000 0.781 266 A CB -0.578 18.431 19.000 0.015 0.000 0.842 266 A HN 0.586 nan 8.150 nan 0.000 0.475 267 T N -2.624 111.937 114.554 0.012 0.000 2.942 267 T HA 0.627 4.977 4.350 0.000 0.000 0.289 267 T C -3.273 171.433 174.700 0.010 0.000 1.044 267 T CA -2.278 59.828 62.100 0.009 0.000 1.023 267 T CB 1.341 70.216 68.868 0.012 0.000 1.123 267 T HN -0.085 nan 8.240 nan 0.000 0.512 268 P HA 0.375 nan 4.420 nan 0.000 0.271 268 P C -0.459 176.847 177.300 0.010 0.000 1.216 268 P CA -0.517 62.587 63.100 0.007 0.000 0.771 268 P CB 0.527 32.229 31.700 0.003 0.000 0.864 269 V N -0.725 119.197 119.914 0.013 0.000 2.919 269 V HA 0.563 4.683 4.120 0.000 0.000 0.316 269 V C -0.232 175.869 176.094 0.011 0.000 1.077 269 V CA -0.856 61.454 62.300 0.016 0.000 0.977 269 V CB 2.271 34.109 31.823 0.025 0.000 1.039 269 V HN 0.266 nan 8.190 nan 0.000 0.441 270 D N 2.193 122.601 120.400 0.013 0.000 2.524 270 D HA 0.242 4.882 4.640 0.000 0.000 0.222 270 D C 1.461 177.769 176.300 0.014 0.000 1.142 270 D CA 0.482 54.487 54.000 0.009 0.000 0.973 270 D CB 0.854 41.660 40.800 0.010 0.000 1.025 270 D HN 0.915 nan 8.370 nan 0.000 0.519 271 T N -0.452 114.104 114.554 0.003 0.000 2.951 271 T HA -0.067 4.283 4.350 0.000 0.000 0.268 271 T C 1.923 176.619 174.700 -0.007 0.000 1.073 271 T CA 0.696 62.798 62.100 0.003 0.000 1.134 271 T CB -0.050 68.805 68.868 -0.022 0.000 0.884 271 T HN 0.222 nan 8.240 nan 0.000 0.479 272 A N 0.997 123.802 122.820 -0.025 0.000 2.131 272 A HA -0.027 4.293 4.320 0.000 0.000 0.220 272 A C 2.399 180.012 177.584 0.047 0.000 1.158 272 A CA 1.760 53.785 52.037 -0.021 0.000 0.665 272 A CB -1.158 17.826 19.000 -0.027 0.000 0.795 272 A HN 0.506 nan 8.150 nan 0.000 0.460 273 T N -0.706 113.882 114.554 0.056 0.000 3.060 273 T HA 0.327 4.677 4.350 0.000 0.000 0.249 273 T C 0.462 175.225 174.700 0.105 0.000 1.079 273 T CA -0.297 61.844 62.100 0.069 0.000 1.013 273 T CB -0.578 68.316 68.868 0.042 0.000 0.975 273 T HN 0.328 nan 8.240 nan 0.000 0.518 274 L N 2.863 124.183 121.223 0.162 0.000 2.456 274 L HA 0.270 4.610 4.340 0.000 0.000 0.272 274 L C -2.078 174.916 176.870 0.206 0.000 1.189 274 L CA -1.754 53.207 54.840 0.202 0.000 0.846 274 L CB 0.279 42.502 42.059 0.273 0.000 1.111 274 L HN 0.018 nan 8.230 nan 0.000 0.475 275 P HA 0.085 nan 4.420 nan 0.000 0.274 275 P C 0.228 177.387 177.300 -0.236 0.000 1.470 275 P CA -0.258 62.801 63.100 -0.069 0.000 1.001 275 P CB 0.766 32.430 31.700 -0.059 0.000 1.332 276 E N 3.605 123.474 120.200 -0.551 0.000 2.118 276 E HA -0.243 4.107 4.350 0.000 0.000 0.195 276 E C 1.517 177.859 176.600 -0.430 0.000 0.992 276 E CA 1.332 57.183 56.400 -0.914 0.000 0.804 276 E CB -0.099 28.810 29.700 -1.318 0.000 0.741 276 E HN 0.408 nan 8.360 nan 0.000 0.458 277 A N 0.607 123.254 122.820 -0.287 0.000 2.119 277 A HA -0.039 4.282 4.320 0.000 0.000 0.217 277 A C 1.826 179.310 177.584 -0.167 0.000 1.153 277 A CA 0.649 52.568 52.037 -0.196 0.000 0.692 277 A CB -0.136 18.781 19.000 -0.139 0.000 0.799 277 A HN 0.109 nan 8.150 nan 0.000 0.458 278 R N -0.481 119.927 120.500 -0.153 0.000 2.515 278 R HA 0.119 4.459 4.340 0.000 0.000 0.294 278 R C -0.548 175.717 176.300 -0.058 0.000 1.021 278 R CA 0.112 56.138 56.100 -0.124 0.000 1.081 278 R CB 0.140 30.354 30.300 -0.142 0.000 1.263 278 R HN 0.285 nan 8.270 nan 0.000 0.557 279 D N -0.195 120.174 120.400 -0.052 0.000 2.775 279 D HA -0.155 4.485 4.640 0.000 0.000 0.235 279 D C -1.045 175.305 176.300 0.082 0.000 1.120 279 D CA 0.467 54.494 54.000 0.044 0.000 0.708 279 D CB -1.327 39.576 40.800 0.172 0.000 1.084 279 D HN 0.236 nan 8.370 nan 0.000 0.434 280 C N 0.024 119.349 119.300 0.042 0.000 2.401 280 C HA 0.985 5.445 4.460 0.000 0.000 0.356 280 C C 0.719 175.852 174.990 0.237 0.000 1.192 280 C CA -0.705 58.392 59.018 0.132 0.000 2.028 280 C CB 1.199 29.020 27.740 0.136 0.000 2.344 280 C HN 0.476 nan 8.230 nan 0.000 0.525 281 L N -0.741 120.647 121.223 0.275 0.000 2.765 281 L HA 0.924 5.264 4.340 0.000 0.000 0.263 281 L C -1.618 175.362 176.870 0.183 0.000 1.068 281 L CA -0.761 54.270 54.840 0.318 0.000 0.903 281 L CB 1.604 43.811 42.059 0.245 0.000 1.512 281 L HN 0.312 nan 8.230 nan 0.000 0.404 282 V N 2.024 121.998 119.914 0.100 0.000 2.376 282 V HA 0.507 4.627 4.120 0.000 0.000 0.287 282 V C -0.472 175.659 176.094 0.061 0.000 1.015 282 V CA -0.417 61.914 62.300 0.051 0.000 0.834 282 V CB 0.966 32.772 31.823 -0.028 0.000 1.001 282 V HN 0.752 nan 8.190 nan 0.000 0.428 283 N N 2.472 121.212 118.700 0.066 0.000 2.476 283 N HA 0.715 5.455 4.740 0.000 0.000 0.287 283 N C -0.812 174.726 175.510 0.046 0.000 1.262 283 N CA -0.372 52.704 53.050 0.044 0.000 0.980 283 N CB 2.175 40.693 38.487 0.052 0.000 1.163 283 N HN 0.376 nan 8.380 nan 0.000 0.592 284 V N 0.556 120.479 119.914 0.015 0.000 2.760 284 V HA 0.168 4.288 4.120 0.000 0.000 0.309 284 V C -0.686 175.411 176.094 0.006 0.000 1.077 284 V CA -0.904 61.408 62.300 0.021 0.000 0.910 284 V CB 2.024 33.835 31.823 -0.020 0.000 1.008 284 V HN 0.765 nan 8.190 nan 0.000 0.424 285 D N 2.673 123.096 120.400 0.038 0.000 2.423 285 D HA 0.207 4.847 4.640 0.000 0.000 0.255 285 D C 1.282 177.582 176.300 0.000 0.000 1.174 285 D CA -0.028 53.998 54.000 0.044 0.000 1.008 285 D CB 1.101 41.963 40.800 0.103 0.000 1.101 285 D HN 0.415 nan 8.370 nan 0.000 0.516 286 V N -1.991 117.897 119.914 -0.044 0.000 2.982 286 V HA -0.183 3.937 4.120 0.000 0.000 0.265 286 V C 1.156 177.102 176.094 -0.247 0.000 1.122 286 V CA 1.491 63.689 62.300 -0.171 0.000 1.143 286 V CB -1.489 30.188 31.823 -0.244 0.000 0.726 286 V HN 0.558 nan 8.190 nan 0.000 0.507 287 H N 0.841 119.895 119.070 -0.026 0.000 2.551 287 H HA 0.501 5.057 4.556 0.000 0.000 0.271 287 H C 1.902 177.231 175.328 0.001 0.000 0.984 287 H CA 0.596 56.636 56.048 -0.013 0.000 1.164 287 H CB 0.567 30.325 29.762 -0.006 0.000 1.437 287 H HN 0.602 nan 8.280 nan 0.000 0.550 288 G N 0.832 109.683 108.800 0.084 0.000 2.176 288 G HA2 -0.331 3.629 3.960 0.000 0.000 0.253 288 G HA3 -0.331 3.629 3.960 0.000 0.000 0.253 288 G C 0.365 175.339 174.900 0.123 0.000 0.979 288 G CA -0.207 44.949 45.100 0.095 0.000 0.641 288 G HN 0.341 nan 8.290 nan 0.000 0.530 289 R N 1.180 121.747 120.500 0.111 0.000 2.389 289 R HA 0.413 4.753 4.340 0.000 0.000 0.295 289 R C -2.285 174.062 176.300 0.077 0.000 1.075 289 R CA -1.548 54.602 56.100 0.083 0.000 1.005 289 R CB 0.510 30.848 30.300 0.063 0.000 0.987 289 R HN 0.099 nan 8.270 nan 0.000 0.452 290 P HA -0.059 nan 4.420 nan 0.000 0.265 290 P C -0.849 176.485 177.300 0.057 0.000 1.193 290 P CA 0.175 63.311 63.100 0.061 0.000 0.765 290 P CB 0.587 32.311 31.700 0.039 0.000 0.823 291 V N 6.397 126.348 119.914 0.061 0.000 2.250 291 V HA 0.230 4.350 4.120 0.000 0.000 0.268 291 V C -2.155 173.982 176.094 0.072 0.000 1.043 291 V CA -2.000 60.339 62.300 0.066 0.000 0.814 291 V CB 1.017 32.881 31.823 0.068 0.000 1.072 291 V HN 0.479 nan 8.190 nan 0.000 0.451 292 P HA 0.177 nan 4.420 nan 0.000 0.264 292 P C -0.309 177.051 177.300 0.100 0.000 1.193 292 P CA 0.652 63.801 63.100 0.082 0.000 0.763 292 P CB 0.538 32.282 31.700 0.074 0.000 0.810 293 S N 1.366 117.138 115.700 0.119 0.000 2.549 293 S HA 0.845 5.315 4.470 0.000 0.000 0.280 293 S C -0.998 173.692 174.600 0.151 0.000 1.109 293 S CA -0.608 57.672 58.200 0.133 0.000 0.905 293 S CB 2.192 65.471 63.200 0.131 0.000 1.081 293 S HN 0.490 nan 8.310 nan 0.000 0.477 294 A N 2.136 125.057 122.820 0.168 0.000 2.437 294 A HA 0.850 5.170 4.320 0.000 0.000 0.293 294 A C -0.891 176.852 177.584 0.265 0.000 1.038 294 A CA -1.022 51.130 52.037 0.191 0.000 0.708 294 A CB 1.133 20.233 19.000 0.167 0.000 1.251 294 A HN 0.744 nan 8.150 nan 0.000 0.409 295 R N 0.488 121.175 120.500 0.312 0.000 2.919 295 R HA 0.960 5.300 4.340 0.000 0.000 0.260 295 R C -0.573 176.101 176.300 0.624 0.000 1.067 295 R CA -0.753 55.620 56.100 0.455 0.000 1.003 295 R CB 0.510 31.064 30.300 0.423 0.000 1.192 295 R HN 1.143 nan 8.270 nan 0.000 0.488 299 G N 0.925 109.350 108.800 -0.625 0.000 2.450 299 G HA2 -0.127 3.833 3.960 0.000 0.000 0.220 299 G HA3 -0.127 3.833 3.960 0.000 0.000 0.220 299 G C 1.680 176.509 174.900 -0.119 0.000 1.130 299 G CA 1.875 46.890 45.100 -0.142 0.000 0.760 299 G HN 0.573 nan 8.290 nan 0.000 0.557 300 R N 1.015 121.361 120.500 -0.257 0.000 2.090 300 R HA 0.039 4.379 4.340 0.000 0.000 0.228 300 R C 2.313 178.497 176.300 -0.192 0.000 1.110 300 R CA 1.719 57.682 56.100 -0.229 0.000 0.973 300 R CB -0.492 29.597 30.300 -0.352 0.000 0.869 300 R HN 0.495 nan 8.270 nan 0.000 0.440 301 E N 0.097 120.168 120.200 -0.214 0.000 2.046 301 E HA -0.119 4.231 4.350 0.000 0.000 0.190 301 E C 2.108 178.638 176.600 -0.116 0.000 0.982 301 E CA 1.400 57.703 56.400 -0.161 0.000 0.800 301 E CB -0.208 29.454 29.700 -0.063 0.000 0.756 301 E HN 0.336 nan 8.360 nan 0.000 0.449 302 I N 1.642 122.162 120.570 -0.084 0.000 2.151 302 I HA -0.297 3.873 4.170 0.000 0.000 0.243 302 I C 2.726 178.873 176.117 0.050 0.000 1.080 302 I CA 1.348 62.659 61.300 0.017 0.000 1.339 302 I CB -0.309 37.736 38.000 0.076 0.000 1.039 302 I HN 0.168 nan 8.210 nan 0.000 0.409 303 E N 0.518 120.734 120.200 0.027 0.000 2.153 303 E HA -0.195 4.155 4.350 0.000 0.000 0.194 303 E C 2.027 178.629 176.600 0.003 0.000 0.988 303 E CA 1.709 58.123 56.400 0.023 0.000 0.811 303 E CB 0.092 29.795 29.700 0.005 0.000 0.746 303 E HN 0.466 nan 8.360 nan 0.000 0.466 304 T N 1.662 116.192 114.554 -0.039 0.000 2.720 304 T HA -0.152 4.198 4.350 0.000 0.000 0.268 304 T C 1.737 176.449 174.700 0.019 0.000 1.037 304 T CA 0.772 62.840 62.100 -0.053 0.000 1.144 304 T CB -0.047 68.730 68.868 -0.152 0.000 0.864 304 T HN 0.088 nan 8.240 nan 0.000 0.444 305 L N 1.045 122.297 121.223 0.049 0.000 2.027 305 L HA 0.070 4.410 4.340 0.000 0.000 0.206 305 L C 2.276 179.343 176.870 0.328 0.000 1.074 305 L CA 1.593 56.546 54.840 0.188 0.000 0.745 305 L CB -1.239 40.934 42.059 0.190 0.000 0.898 305 L HN 0.440 nan 8.230 nan 0.000 0.433 306 I N -4.062 116.652 120.570 0.239 0.000 3.728 306 I HA 0.089 4.259 4.170 0.000 0.000 0.307 306 I C 1.139 177.253 176.117 -0.004 0.000 1.276 306 I CA 0.241 61.658 61.300 0.194 0.000 1.285 306 I CB -0.184 37.856 38.000 0.067 0.000 1.038 306 I HN 0.301 nan 8.210 nan 0.000 0.445 307 E N 0.925 121.160 120.200 0.058 0.000 4.724 307 E HA -0.289 4.061 4.350 0.000 0.000 0.169 307 E C 0.547 177.118 176.600 -0.049 0.000 1.223 307 E CA 2.035 58.446 56.400 0.018 0.000 2.386 307 E CB -1.428 28.310 29.700 0.063 0.000 1.790 307 E HN 0.766 nan 8.360 nan 0.000 0.449 308 I N -1.811 118.686 120.570 -0.122 0.000 2.828 308 I HA 0.379 4.549 4.170 0.000 0.000 0.302 308 I C 0.183 176.221 176.117 -0.131 0.000 1.101 308 I CA -0.874 60.353 61.300 -0.120 0.000 1.031 308 I CB 1.841 39.757 38.000 -0.140 0.000 1.231 308 I HN -0.252 nan 8.210 nan 0.000 0.427 309 D N 1.762 122.102 120.400 -0.100 0.000 2.239 309 D HA -0.152 4.488 4.640 0.000 0.000 0.202 309 D C 1.731 177.957 176.300 -0.123 0.000 0.993 309 D CA 1.707 55.650 54.000 -0.096 0.000 0.874 309 D CB -0.080 40.674 40.800 -0.076 0.000 0.922 309 D HN 0.720 nan 8.370 nan 0.000 0.464 310 T N -0.321 114.143 114.554 -0.150 0.000 3.007 310 T HA -0.030 4.320 4.350 0.000 0.000 0.270 310 T C 1.272 175.836 174.700 -0.227 0.000 1.107 310 T CA 0.709 62.706 62.100 -0.171 0.000 1.118 310 T CB 0.112 68.872 68.868 -0.179 0.000 0.889 310 T HN 0.167 nan 8.240 nan 0.000 0.506 311 R N 0.586 120.926 120.500 -0.267 0.000 2.629 311 R HA 0.273 4.613 4.340 0.000 0.000 0.386 311 R C 0.042 176.235 176.300 -0.177 0.000 1.071 311 R CA -0.347 55.565 56.100 -0.314 0.000 1.104 311 R CB 0.685 30.646 30.300 -0.565 0.000 1.370 311 R HN 0.138 nan 8.270 nan 0.000 0.574 312 R N 1.318 121.740 120.500 -0.131 0.000 2.538 312 R HA -0.039 4.301 4.340 0.000 0.000 0.282 312 R C 1.592 177.854 176.300 -0.062 0.000 1.009 312 R CA 0.074 56.123 56.100 -0.085 0.000 1.063 312 R CB 0.768 30.997 30.300 -0.119 0.000 0.945 312 R HN 0.065 nan 8.270 nan 0.000 0.414 313 V N -0.025 119.894 119.914 0.008 0.000 3.444 313 V HA -0.084 4.036 4.120 0.000 0.000 0.271 313 V C 0.999 177.112 176.094 0.032 0.000 1.188 313 V CA 1.570 63.907 62.300 0.063 0.000 1.168 313 V CB -0.393 31.540 31.823 0.184 0.000 0.810 313 V HN 0.825 nan 8.190 nan 0.000 0.500 314 D N -0.089 120.265 120.400 -0.077 0.000 2.369 314 D HA 0.107 4.747 4.640 0.000 0.000 0.211 314 D C 0.720 176.985 176.300 -0.059 0.000 1.077 314 D CA -0.436 53.508 54.000 -0.093 0.000 0.842 314 D CB -0.270 40.375 40.800 -0.258 0.000 0.947 314 D HN 0.523 nan 8.370 nan 0.000 0.509 315 I N 1.827 122.366 120.570 -0.052 0.000 2.752 315 I HA -0.100 4.070 4.170 0.000 0.000 0.286 315 I C 1.578 177.698 176.117 0.005 0.000 1.180 315 I CA -0.027 61.254 61.300 -0.033 0.000 1.404 315 I CB 0.577 38.553 38.000 -0.040 0.000 1.389 315 I HN -0.194 nan 8.210 nan 0.000 0.549 316 K N 7.246 127.648 120.400 0.004 0.000 1.987 316 K HA -0.163 4.157 4.320 0.000 0.000 0.216 316 K C -0.649 175.975 176.600 0.039 0.000 1.051 316 K CA 1.565 57.865 56.287 0.021 0.000 0.942 316 K CB -1.240 31.267 32.500 0.012 0.000 0.722 316 K HN 0.495 nan 8.250 nan 0.000 0.444 317 P HA -0.146 nan 4.420 nan 0.000 0.222 317 P C -0.019 177.332 177.300 0.084 0.000 1.142 317 P CA 1.338 64.468 63.100 0.049 0.000 0.788 317 P CB 0.020 31.744 31.700 0.040 0.000 0.767 318 D N -1.949 118.514 120.400 0.106 0.000 2.323 318 D HA -0.071 4.569 4.640 0.000 0.000 0.209 318 D C 1.992 178.410 176.300 0.196 0.000 0.973 318 D CA 0.498 54.617 54.000 0.197 0.000 0.874 318 D CB -0.337 40.562 40.800 0.165 0.000 0.930 318 D HN 0.069 nan 8.370 nan 0.000 0.521 319 Q N 0.350 120.223 119.800 0.123 0.000 2.045 319 Q HA -0.122 4.218 4.340 0.000 0.000 0.206 319 Q C -0.582 175.482 176.000 0.106 0.000 0.991 319 Q CA 1.541 57.411 55.803 0.112 0.000 0.851 319 Q CB -1.838 26.948 28.738 0.080 0.000 0.911 319 Q HN 0.348 nan 8.270 nan 0.000 0.418 320 P HA -0.107 nan 4.420 nan 0.000 0.215 320 P C 0.980 178.302 177.300 0.037 0.000 1.153 320 P CA 2.082 65.209 63.100 0.046 0.000 0.853 320 P CB -0.192 31.523 31.700 0.024 0.000 0.788 321 A N -0.902 121.940 122.820 0.037 0.000 1.897 321 A HA -0.129 4.191 4.320 0.000 0.000 0.215 321 A C 2.029 179.682 177.584 0.115 0.000 1.181 321 A CA 1.210 53.205 52.037 -0.070 0.000 0.620 321 A CB -1.556 17.221 19.000 -0.371 0.000 0.821 321 A HN 0.032 nan 8.150 nan 0.000 0.443 322 L N -0.386 121.021 121.223 0.306 0.000 2.012 322 L HA -0.163 4.177 4.340 0.000 0.000 0.210 322 L C 2.460 179.435 176.870 0.175 0.000 1.073 322 L CA 1.378 56.401 54.840 0.305 0.000 0.748 322 L CB -1.154 41.052 42.059 0.246 0.000 0.891 322 L HN 0.327 nan 8.230 nan 0.000 0.431 323 L N -0.449 120.846 121.223 0.120 0.000 1.994 323 L HA -0.139 4.201 4.340 0.000 0.000 0.208 323 L C 2.488 179.388 176.870 0.050 0.000 1.071 323 L CA 2.156 57.041 54.840 0.075 0.000 0.745 323 L CB -1.210 40.883 42.059 0.056 0.000 0.892 323 L HN 0.317 nan 8.230 nan 0.000 0.431 324 A N -0.814 122.027 122.820 0.035 0.000 2.125 324 A HA -0.040 4.280 4.320 0.000 0.000 0.219 324 A C 2.204 179.801 177.584 0.022 0.000 1.156 324 A CA 1.374 53.417 52.037 0.011 0.000 0.671 324 A CB -0.539 18.450 19.000 -0.018 0.000 0.794 324 A HN 0.500 nan 8.150 nan 0.000 0.459 325 A N -0.821 122.032 122.820 0.054 0.000 2.218 325 A HA 0.306 4.626 4.320 0.000 0.000 0.209 325 A C 1.917 179.550 177.584 0.082 0.000 1.168 325 A CA 0.894 52.980 52.037 0.081 0.000 0.804 325 A CB -0.358 18.733 19.000 0.152 0.000 0.834 325 A HN 0.271 nan 8.150 nan 0.000 0.482 326 V N 0.772 120.721 119.914 0.058 0.000 2.307 326 V HA -0.140 3.980 4.120 0.000 0.000 0.245 326 V C -0.127 175.966 176.094 -0.001 0.000 1.045 326 V CA 2.327 64.640 62.300 0.021 0.000 1.024 326 V CB -1.533 30.285 31.823 -0.008 0.000 0.651 326 V HN 0.330 nan 8.190 nan 0.000 0.449 327 P HA -0.191 nan 4.420 nan 0.000 0.217 327 P C 1.635 178.944 177.300 0.016 0.000 1.162 327 P CA 1.529 64.627 63.100 -0.003 0.000 0.901 327 P CB 0.029 31.730 31.700 0.002 0.000 0.793 328 E N -0.917 119.316 120.200 0.056 0.000 2.152 328 E HA -0.078 4.272 4.350 0.000 0.000 0.192 328 E C 2.064 178.778 176.600 0.190 0.000 0.983 328 E CA 0.515 56.987 56.400 0.121 0.000 0.818 328 E CB -1.211 28.586 29.700 0.163 0.000 0.758 328 E HN -0.035 nan 8.360 nan 0.000 0.467 329 V N 0.943 120.946 119.914 0.148 0.000 2.255 329 V HA -0.263 3.857 4.120 0.000 0.000 0.247 329 V C 2.340 178.560 176.094 0.210 0.000 1.051 329 V CA 1.435 63.846 62.300 0.186 0.000 1.018 329 V CB -0.514 31.395 31.823 0.143 0.000 0.641 329 V HN 0.246 nan 8.190 nan 0.000 0.445 330 L N 0.229 121.489 121.223 0.061 0.000 1.956 330 L HA -0.191 4.149 4.340 0.000 0.000 0.216 330 L C 2.547 179.525 176.870 0.179 0.000 1.073 330 L CA 2.062 56.922 54.840 0.034 0.000 0.762 330 L CB -1.054 40.954 42.059 -0.085 0.000 0.889 330 L HN 0.267 nan 8.230 nan 0.000 0.433 331 R N -1.741 118.791 120.500 0.054 0.000 2.276 331 R HA -0.061 4.279 4.340 0.000 0.000 0.203 331 R C 1.376 177.618 176.300 -0.096 0.000 1.017 331 R CA 0.580 56.660 56.100 -0.034 0.000 1.010 331 R CB -0.241 29.981 30.300 -0.130 0.000 0.900 331 R HN 0.583 nan 8.270 nan 0.000 0.469 332 H N -1.043 118.094 119.070 0.111 0.000 2.551 332 H HA 0.157 4.713 4.556 0.000 0.000 0.271 332 H C 1.008 176.405 175.328 0.115 0.000 0.984 332 H CA 0.344 56.447 56.048 0.093 0.000 1.164 332 H CB 0.916 30.721 29.762 0.072 0.000 1.437 332 H HN 0.357 nan 8.280 nan 0.000 0.550 333 G N 1.570 110.526 108.800 0.260 0.000 2.225 333 G HA2 -0.345 3.615 3.960 0.000 0.000 0.267 333 G HA3 -0.345 3.615 3.960 0.000 0.000 0.267 333 G C 0.351 175.380 174.900 0.215 0.000 1.024 333 G CA 0.160 45.380 45.100 0.201 0.000 0.784 333 G HN 0.347 nan 8.290 nan 0.000 0.507 337 L N 5.983 127.108 121.223 -0.163 0.000 2.309 337 L HA 0.588 4.928 4.340 0.000 0.000 0.282 337 L C -2.404 174.507 176.870 0.069 0.000 1.036 337 L CA -1.844 52.974 54.840 -0.038 0.000 0.806 337 L CB 1.148 43.076 42.059 -0.218 0.000 1.220 337 L HN 0.153 nan 8.230 nan 0.000 0.429 338 P HA 0.106 nan 4.420 nan 0.000 0.272 338 P C -0.499 176.879 177.300 0.130 0.000 1.223 338 P CA -0.063 63.193 63.100 0.260 0.000 0.784 338 P CB 0.926 32.620 31.700 -0.011 0.000 0.923 339 T N 1.382 116.045 114.554 0.182 0.000 2.916 339 T HA 0.647 4.997 4.350 0.000 0.000 0.292 339 T C -0.590 174.167 174.700 0.095 0.000 1.064 339 T CA -0.550 61.675 62.100 0.209 0.000 1.011 339 T CB 0.310 69.302 68.868 0.207 0.000 1.152 339 T HN 0.010 nan 8.240 nan 0.000 0.510 343 G N 1.488 110.242 108.800 -0.077 0.000 2.175 343 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 343 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 343 G C -0.459 174.081 174.900 -0.599 0.000 0.982 343 G CA 0.153 45.030 45.100 -0.371 0.000 0.641 343 G HN 0.345 nan 8.290 nan 0.000 0.527 344 F N 0.052 119.993 119.950 -0.015 0.000 2.576 344 F HA 0.667 5.194 4.527 0.000 0.000 0.313 344 F C 0.905 176.756 175.800 0.085 0.000 1.078 344 F CA 0.192 58.227 58.000 0.058 0.000 0.921 344 F CB 2.040 41.050 39.000 0.018 0.000 1.232 344 F HN 1.030 nan 8.300 nan 0.000 0.459 345 G N 2.460 111.462 108.800 0.337 0.000 2.660 345 G HA2 -0.162 3.798 3.960 0.000 0.000 0.215 345 G HA3 -0.162 3.798 3.960 0.000 0.000 0.215 345 G C -2.604 172.344 174.900 0.080 0.000 1.345 345 G CA -0.773 44.502 45.100 0.292 0.000 0.877 345 G HN 0.450 nan 8.290 nan 0.000 0.549 346 P HA 0.115 nan 4.420 nan 0.000 0.225 346 P C 0.293 177.291 177.300 -0.503 0.000 1.156 346 P CA 1.326 64.227 63.100 -0.332 0.000 0.787 346 P CB -0.003 31.376 31.700 -0.535 0.000 0.802 347 Y N -2.140 118.141 120.300 -0.031 0.000 2.553 347 Y HA 0.325 4.875 4.550 0.000 0.000 0.369 347 Y C -1.601 174.270 175.900 -0.048 0.000 0.964 347 Y CA -2.384 55.695 58.100 -0.035 0.000 1.156 347 Y CB 0.116 38.564 38.460 -0.020 0.000 1.218 347 Y HN 0.039 nan 8.280 nan 0.000 0.630 348 P HA -0.189 nan 4.420 nan 0.000 0.217 348 P C 0.316 177.458 177.300 -0.263 0.000 1.151 348 P CA 1.988 64.947 63.100 -0.236 0.000 0.849 348 P CB 0.131 31.518 31.700 -0.521 0.000 0.787 349 H N -2.386 116.726 119.070 0.070 0.000 2.528 349 H HA 0.361 4.917 4.556 0.000 0.000 0.282 349 H C 0.977 176.344 175.328 0.065 0.000 1.097 349 H CA -0.563 55.517 56.048 0.054 0.000 1.121 349 H CB -0.082 29.694 29.762 0.022 0.000 1.590 349 H HN 0.016 nan 8.280 nan 0.000 0.553 350 G N 1.597 110.500 108.800 0.172 0.000 2.254 350 G HA2 -0.079 3.881 3.960 0.000 0.000 0.253 350 G HA3 -0.079 3.881 3.960 0.000 0.000 0.253 350 G C 0.064 175.023 174.900 0.097 0.000 1.246 350 G CA -0.486 44.681 45.100 0.111 0.000 0.946 350 G HN 0.406 nan 8.290 nan 0.000 0.474 351 R N 3.627 124.159 120.500 0.053 0.000 2.345 351 R HA 0.071 4.411 4.340 0.000 0.000 0.331 351 R C -0.006 176.318 176.300 0.039 0.000 1.067 351 R CA -0.684 55.448 56.100 0.054 0.000 0.962 351 R CB -0.107 30.199 30.300 0.011 0.000 0.987 351 R HN 0.397 nan 8.270 nan 0.000 0.451 352 F N 4.173 124.093 119.950 -0.050 0.000 2.626 352 F HA 0.210 4.737 4.527 0.000 0.000 0.354 352 F C -0.438 175.302 175.800 -0.100 0.000 1.168 352 F CA 0.877 58.816 58.000 -0.102 0.000 1.368 352 F CB 0.544 39.480 39.000 -0.106 0.000 1.092 352 F HN 0.710 nan 8.300 nan 0.000 0.612 353 A N 4.607 126.637 122.820 -1.317 0.000 2.586 353 A HA 0.389 4.709 4.320 0.000 0.000 0.296 353 A C -1.795 175.262 177.584 -0.879 0.000 1.040 353 A CA -0.908 50.500 52.037 -1.050 0.000 0.701 353 A CB -0.387 18.357 19.000 -0.428 0.000 1.277 353 A HN 0.887 nan 8.150 nan 0.000 0.413 354 W N 0.432 121.383 121.300 -0.581 0.000 2.213 354 W HA 0.750 5.410 4.660 0.000 0.000 0.356 354 W C 0.166 176.581 176.519 -0.175 0.000 1.273 354 W CA -0.184 56.994 57.345 -0.278 0.000 1.391 354 W CB 1.140 30.496 29.460 -0.173 0.000 1.187 354 W HN 0.530 nan 8.180 nan 0.000 0.649 355 I N 3.367 124.123 120.570 0.309 0.000 2.571 355 I HA 0.068 4.238 4.170 0.000 0.000 0.286 355 I C -1.068 175.154 176.117 0.175 0.000 1.134 355 I CA -0.897 60.496 61.300 0.155 0.000 1.052 355 I CB 1.486 39.532 38.000 0.076 0.000 1.237 355 I HN 0.489 nan 8.210 nan 0.000 0.435 356 N N 3.657 122.405 118.700 0.080 0.000 2.671 356 N HA -0.218 4.522 4.740 0.000 0.000 0.261 356 N C 0.056 175.554 175.510 -0.021 0.000 1.053 356 N CA 0.537 53.602 53.050 0.026 0.000 0.732 356 N CB -0.771 37.752 38.487 0.060 0.000 0.887 356 N HN 0.671 nan 8.380 nan 0.000 0.546 357 R N 0.827 121.239 120.500 -0.146 0.000 2.484 357 R HA 0.176 4.516 4.340 0.000 0.000 0.293 357 R C -2.150 173.862 176.300 -0.480 0.000 1.023 357 R CA -0.587 55.181 56.100 -0.554 0.000 1.037 357 R CB 0.439 30.266 30.300 -0.788 0.000 0.951 357 R HN 0.047 nan 8.270 nan 0.000 0.418 358 P HA 0.062 nan 4.420 nan 0.000 0.271 358 P C -0.758 176.307 177.300 -0.392 0.000 1.218 358 P CA -0.066 62.841 63.100 -0.322 0.000 0.780 358 P CB 0.860 32.437 31.700 -0.205 0.000 0.901 359 E N -0.025 120.006 120.200 -0.282 0.000 2.481 359 E HA 0.023 4.373 4.350 0.000 0.000 0.198 359 E C 0.034 176.462 176.600 -0.287 0.000 1.027 359 E CA 0.033 56.256 56.400 -0.295 0.000 0.900 359 E CB 0.234 29.807 29.700 -0.212 0.000 0.993 359 E HN 0.586 nan 8.360 nan 0.000 0.482 360 D N -1.477 118.793 120.400 -0.217 0.000 2.299 360 D HA 0.030 4.670 4.640 0.000 0.000 0.243 360 D C 0.201 176.426 176.300 -0.124 0.000 0.982 360 D CA -0.765 53.160 54.000 -0.126 0.000 0.924 360 D CB 0.699 41.523 40.800 0.041 0.000 1.238 360 D HN -0.056 nan 8.370 nan 0.000 0.484 361 W N -0.109 121.210 121.300 0.032 0.000 2.379 361 W HA -0.025 4.635 4.660 0.000 0.000 0.307 361 W C 2.121 178.620 176.519 -0.033 0.000 1.200 361 W CA 0.113 57.434 57.345 -0.040 0.000 1.297 361 W CB -0.435 28.944 29.460 -0.135 0.000 1.140 361 W HN 0.348 nan 8.180 nan 0.000 0.507 362 F N 0.614 120.720 119.950 0.260 0.000 2.126 362 F HA -0.229 4.298 4.527 0.000 0.000 0.299 362 F C 2.222 178.112 175.800 0.149 0.000 1.096 362 F CA 1.774 59.882 58.000 0.180 0.000 1.255 362 F CB -0.705 38.370 39.000 0.125 0.000 0.997 362 F HN -0.065 nan 8.300 nan 0.000 0.479 363 E N -0.651 119.719 120.200 0.283 0.000 2.216 363 E HA -0.134 4.216 4.350 0.000 0.000 0.192 363 E C 2.260 178.968 176.600 0.181 0.000 0.988 363 E CA 0.364 56.878 56.400 0.190 0.000 0.834 363 E CB -0.098 29.671 29.700 0.114 0.000 0.772 363 E HN 0.351 nan 8.360 nan 0.000 0.479 364 R N 0.650 121.235 120.500 0.141 0.000 2.093 364 R HA 0.037 4.377 4.340 0.000 0.000 0.224 364 R C 2.263 178.760 176.300 0.330 0.000 1.101 364 R CA 0.647 56.859 56.100 0.187 0.000 0.979 364 R CB 0.192 30.473 30.300 -0.032 0.000 0.877 364 R HN 0.001 nan 8.270 nan 0.000 0.441 365 R N -0.392 120.284 120.500 0.294 0.000 2.115 365 R HA -0.009 4.331 4.340 0.000 0.000 0.226 365 R C 2.126 178.571 176.300 0.242 0.000 1.100 365 R CA 1.150 57.406 56.100 0.260 0.000 0.980 365 R CB -0.111 30.284 30.300 0.158 0.000 0.875 365 R HN 0.165 nan 8.270 nan 0.000 0.445 366 A N 1.238 124.203 122.820 0.241 0.000 1.897 366 A HA -0.005 4.315 4.320 0.000 0.000 0.215 366 A C 2.330 180.042 177.584 0.213 0.000 1.181 366 A CA 1.397 53.563 52.037 0.215 0.000 0.620 366 A CB -0.410 18.707 19.000 0.196 0.000 0.821 366 A HN 0.341 nan 8.150 nan 0.000 0.443 367 A N -0.142 122.834 122.820 0.260 0.000 2.015 367 A HA 0.226 4.546 4.320 0.000 0.000 0.219 367 A C 2.407 180.154 177.584 0.270 0.000 1.163 367 A CA 1.759 53.973 52.037 0.295 0.000 0.646 367 A CB -0.806 18.463 19.000 0.448 0.000 0.806 367 A HN 0.964 nan 8.150 nan 0.000 0.448 368 A N -0.890 122.096 122.820 0.277 0.000 1.933 368 A HA -0.173 4.147 4.320 0.000 0.000 0.218 368 A C 2.212 179.942 177.584 0.243 0.000 1.175 368 A CA 1.648 53.822 52.037 0.228 0.000 0.628 368 A CB -1.228 17.910 19.000 0.229 0.000 0.814 368 A HN 0.600 nan 8.150 nan 0.000 0.444 369 C N -0.616 118.835 119.300 0.250 0.000 2.432 369 C HA 0.030 4.490 4.460 0.000 0.000 0.280 369 C C 2.539 177.699 174.990 0.283 0.000 1.353 369 C CA 0.701 59.896 59.018 0.296 0.000 1.766 369 C CB -1.428 26.494 27.740 0.305 0.000 1.924 369 C HN 0.597 nan 8.230 nan 0.000 0.509 370 L N -0.649 120.685 121.223 0.185 0.000 2.095 370 L HA -0.100 4.240 4.340 0.000 0.000 0.204 370 L C 2.522 179.396 176.870 0.007 0.000 1.080 370 L CA 1.580 56.469 54.840 0.082 0.000 0.759 370 L CB -0.911 41.176 42.059 0.047 0.000 0.914 370 L HN 0.359 nan 8.230 nan 0.000 0.439 371 Y N 1.201 121.455 120.300 -0.077 0.000 2.274 371 Y HA -0.241 4.309 4.550 0.000 0.000 0.290 371 Y C 2.386 178.202 175.900 -0.140 0.000 1.145 371 Y CA 1.361 59.344 58.100 -0.196 0.000 1.203 371 Y CB -0.127 38.278 38.460 -0.092 0.000 0.984 371 Y HN 0.087 nan 8.280 nan 0.000 0.533 372 A N 0.262 123.063 122.820 -0.032 0.000 2.016 372 A HA 0.101 4.421 4.320 0.000 0.000 0.217 372 A C 2.342 180.075 177.584 0.247 0.000 1.162 372 A CA 1.136 53.170 52.037 -0.005 0.000 0.662 372 A CB -1.191 17.800 19.000 -0.015 0.000 0.812 372 A HN 0.588 nan 8.150 nan 0.000 0.450 373 A N -0.030 122.941 122.820 0.252 0.000 1.898 373 A HA 0.040 4.360 4.320 0.000 0.000 0.216 373 A C 2.088 179.608 177.584 -0.106 0.000 1.181 373 A CA 1.352 53.457 52.037 0.114 0.000 0.620 373 A CB -0.515 18.457 19.000 -0.047 0.000 0.819 373 A HN 0.445 nan 8.150 nan 0.000 0.442 374 L N -0.589 120.422 121.223 -0.354 0.000 2.109 374 L HA -0.111 4.229 4.340 0.000 0.000 0.207 374 L C 2.397 179.065 176.870 -0.336 0.000 1.086 374 L CA 0.826 55.324 54.840 -0.570 0.000 0.760 374 L CB -0.427 40.688 42.059 -1.574 0.000 0.910 374 L HN 0.222 nan 8.230 nan 0.000 0.437 375 V N -0.158 119.489 119.914 -0.445 0.000 2.453 375 V HA -0.160 3.960 4.120 0.000 0.000 0.247 375 V C 2.695 178.521 176.094 -0.447 0.000 1.048 375 V CA 1.509 63.550 62.300 -0.432 0.000 1.049 375 V CB -0.763 30.460 31.823 -0.999 0.000 0.672 375 V HN 0.435 nan 8.190 nan 0.000 0.457 376 A N 0.381 123.073 122.820 -0.213 0.000 1.930 376 A HA -0.284 4.036 4.320 0.000 0.000 0.217 376 A C 2.015 179.662 177.584 0.105 0.000 1.175 376 A CA 2.059 54.205 52.037 0.183 0.000 0.627 376 A CB -0.638 18.680 19.000 0.530 0.000 0.815 376 A HN 0.616 nan 8.150 nan 0.000 0.443 377 D N -1.064 119.355 120.400 0.032 0.000 2.097 377 D HA -0.130 4.510 4.640 0.000 0.000 0.195 377 D C 1.873 178.209 176.300 0.060 0.000 0.989 377 D CA 2.021 56.042 54.000 0.035 0.000 0.827 377 D CB -0.104 40.698 40.800 0.003 0.000 0.966 377 D HN 0.328 nan 8.370 nan 0.000 0.456 378 T N -0.550 114.049 114.554 0.076 0.000 2.746 378 T HA -0.084 4.266 4.350 0.000 0.000 0.267 378 T C 1.907 176.619 174.700 0.019 0.000 1.039 378 T CA 1.339 63.485 62.100 0.075 0.000 1.142 378 T CB -0.450 68.504 68.868 0.144 0.000 0.866 378 T HN 0.297 nan 8.240 nan 0.000 0.444 379 A N 1.038 123.872 122.820 0.023 0.000 1.898 379 A HA 0.072 4.392 4.320 0.000 0.000 0.216 379 A C 2.254 179.900 177.584 0.102 0.000 1.181 379 A CA 1.061 53.141 52.037 0.071 0.000 0.620 379 A CB -0.790 18.311 19.000 0.167 0.000 0.819 379 A HN 0.454 nan 8.150 nan 0.000 0.442 380 L N -0.378 120.912 121.223 0.111 0.000 2.083 380 L HA -0.194 4.146 4.340 0.000 0.000 0.209 380 L C 1.877 178.791 176.870 0.073 0.000 1.083 380 L CA 1.388 56.289 54.840 0.102 0.000 0.752 380 L CB -0.441 41.675 42.059 0.096 0.000 0.899 380 L HN 0.293 nan 8.230 nan 0.000 0.433 381 D N -0.510 119.925 120.400 0.059 0.000 2.183 381 D HA -0.107 4.533 4.640 0.000 0.000 0.203 381 D C 2.159 178.483 176.300 0.039 0.000 0.969 381 D CA 0.753 54.781 54.000 0.045 0.000 0.842 381 D CB -0.010 40.815 40.800 0.042 0.000 0.957 381 D HN 0.085 nan 8.370 nan 0.000 0.484 382 L N 0.879 122.123 121.223 0.035 0.000 2.189 382 L HA -0.118 4.222 4.340 0.000 0.000 0.214 382 L C 2.082 178.982 176.870 0.049 0.000 1.097 382 L CA 1.300 56.158 54.840 0.030 0.000 0.764 382 L CB -0.554 41.517 42.059 0.019 0.000 0.900 382 L HN 0.225 nan 8.230 nan 0.000 0.436 383 I N -5.402 115.205 120.570 0.062 0.000 4.082 383 I HA 0.468 4.638 4.170 0.000 0.000 0.337 383 I C 1.253 177.406 176.117 0.060 0.000 1.352 383 I CA 0.458 61.800 61.300 0.069 0.000 1.097 383 I CB -0.105 37.947 38.000 0.087 0.000 1.048 383 I HN 0.182 nan 8.210 nan 0.000 0.393 384 G N 1.743 110.574 108.800 0.052 0.000 2.160 384 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 384 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 384 G C 0.151 175.080 174.900 0.048 0.000 1.022 384 G CA 0.318 45.444 45.100 0.045 0.000 0.741 384 G HN 0.449 nan 8.290 nan 0.000 0.508 385 S N 0.765 116.498 115.700 0.056 0.000 2.525 385 S HA 0.557 5.027 4.470 0.000 0.000 0.285 385 S C 0.749 175.377 174.600 0.047 0.000 1.283 385 S CA 0.857 59.093 58.200 0.059 0.000 1.072 385 S CB 0.914 64.157 63.200 0.072 0.000 0.867 385 S HN 1.437 nan 8.310 nan 0.000 0.492 386 T N -0.362 114.218 114.554 0.045 0.000 2.762 386 T HA 0.768 5.118 4.350 0.000 0.000 0.301 386 T C 0.767 175.490 174.700 0.038 0.000 1.299 386 T CA -0.203 61.918 62.100 0.035 0.000 1.005 386 T CB 1.270 70.156 68.868 0.030 0.000 1.377 386 T HN 1.000 nan 8.240 nan 0.000 0.504 387 G N 1.502 110.319 108.800 0.029 0.000 5.155 387 G HA2 -0.235 3.725 3.960 0.000 0.000 0.239 387 G HA3 -0.235 3.725 3.960 0.000 0.000 0.239 387 G C -0.128 174.799 174.900 0.046 0.000 1.409 387 G CA 0.312 45.434 45.100 0.037 0.000 0.927 387 G HN 1.000 nan 8.290 nan 0.000 0.710 388 R N 0.002 120.549 120.500 0.078 0.000 2.532 388 R HA 0.714 5.054 4.340 0.000 0.000 0.297 388 R C -0.853 175.522 176.300 0.125 0.000 0.984 388 R CA -0.596 55.585 56.100 0.134 0.000 0.884 388 R CB 1.907 32.341 30.300 0.223 0.000 1.182 388 R HN 0.340 nan 8.270 nan 0.000 0.442 389 I N 4.020 124.652 120.570 0.104 0.000 2.447 389 I HA 0.272 4.442 4.170 0.000 0.000 0.287 389 I C -1.080 175.126 176.117 0.149 0.000 1.023 389 I CA -1.153 60.208 61.300 0.102 0.000 1.083 389 I CB 2.021 40.048 38.000 0.045 0.000 1.245 389 I HN 0.324 nan 8.210 nan 0.000 0.434 390 L N 8.689 130.007 121.223 0.157 0.000 2.276 390 L HA 0.494 4.834 4.340 0.000 0.000 0.286 390 L C -0.578 176.362 176.870 0.117 0.000 1.024 390 L CA -0.339 54.589 54.840 0.147 0.000 0.826 390 L CB 1.387 43.520 42.059 0.122 0.000 1.211 390 L HN 0.289 nan 8.230 nan 0.000 0.422 391 V N 5.527 125.506 119.914 0.109 0.000 2.498 391 V HA 0.472 4.592 4.120 0.000 0.000 0.279 391 V C 0.299 176.455 176.094 0.104 0.000 1.048 391 V CA -0.421 61.952 62.300 0.122 0.000 0.967 391 V CB 0.901 32.820 31.823 0.160 0.000 0.988 391 V HN 0.847 nan 8.190 nan 0.000 0.473 392 E N 2.059 122.313 120.200 0.090 0.000 2.431 392 E HA 0.755 5.105 4.350 0.000 0.000 0.268 392 E C 0.138 176.770 176.600 0.053 0.000 0.953 392 E CA -0.368 56.080 56.400 0.080 0.000 0.810 392 E CB 2.198 31.952 29.700 0.091 0.000 1.369 392 E HN 1.022 nan 8.360 nan 0.000 0.440 393 G N 0.715 109.550 108.800 0.057 0.000 2.760 393 G HA2 -0.303 3.657 3.960 0.000 0.000 0.246 393 G HA3 -0.303 3.657 3.960 0.000 0.000 0.246 393 G C 0.427 175.345 174.900 0.029 0.000 1.359 393 G CA 0.241 45.367 45.100 0.044 0.000 0.861 393 G HN 0.711 nan 8.290 nan 0.000 0.541 394 R N -1.040 119.452 120.500 -0.015 0.000 2.148 394 R HA 0.137 4.477 4.340 0.000 0.000 0.227 394 R C 1.916 178.091 176.300 -0.209 0.000 1.103 394 R CA 2.151 58.169 56.100 -0.137 0.000 0.983 394 R CB -0.262 29.888 30.300 -0.250 0.000 0.874 394 R HN 0.402 nan 8.270 nan 0.000 0.451 395 F N 1.232 121.127 119.950 -0.091 0.000 2.816 395 F HA 0.266 4.793 4.527 0.000 0.000 0.302 395 F C 2.258 178.094 175.800 0.059 0.000 1.178 395 F CA 0.377 58.326 58.000 -0.085 0.000 1.421 395 F CB 0.250 39.051 39.000 -0.332 0.000 1.114 395 F HN 0.182 nan 8.300 nan 0.000 0.573 396 A N -0.241 122.679 122.820 0.166 0.000 1.968 396 A HA -0.117 4.203 4.320 0.000 0.000 0.217 396 A C 1.876 179.540 177.584 0.134 0.000 1.169 396 A CA 1.140 53.278 52.037 0.168 0.000 0.638 396 A CB -0.330 18.736 19.000 0.109 0.000 0.812 396 A HN 0.236 nan 8.150 nan 0.000 0.446 397 E N -0.125 120.123 120.200 0.079 0.000 2.494 397 E HA 0.270 4.620 4.350 0.000 0.000 0.193 397 E C 0.484 177.134 176.600 0.085 0.000 1.074 397 E CA 0.485 56.920 56.400 0.057 0.000 0.867 397 E CB -0.025 29.679 29.700 0.007 0.000 0.924 397 E HN 0.481 nan 8.360 nan 0.000 0.502 398 A N 0.996 123.912 122.820 0.160 0.000 2.923 398 A HA 0.084 4.404 4.320 0.000 0.000 0.306 398 A C 0.715 178.449 177.584 0.249 0.000 1.542 398 A CA -0.368 51.805 52.037 0.227 0.000 1.225 398 A CB -0.005 19.212 19.000 0.361 0.000 1.147 398 A HN 0.014 nan 8.150 nan 0.000 0.542 399 D N 1.024 121.521 120.400 0.161 0.000 2.149 399 D HA -0.176 4.464 4.640 0.000 0.000 0.194 399 D C 1.913 178.287 176.300 0.125 0.000 1.001 399 D CA 1.779 55.852 54.000 0.122 0.000 0.849 399 D CB 0.223 41.077 40.800 0.089 0.000 0.939 399 D HN 0.379 nan 8.370 nan 0.000 0.449 400 V N 0.852 120.862 119.914 0.160 0.000 2.427 400 V HA -0.217 3.903 4.120 0.000 0.000 0.248 400 V C 2.119 178.315 176.094 0.171 0.000 1.051 400 V CA 1.239 63.624 62.300 0.142 0.000 1.048 400 V CB -0.601 31.319 31.823 0.162 0.000 0.666 400 V HN 0.105 nan 8.190 nan 0.000 0.456 401 F N 1.071 121.091 119.950 0.117 0.000 2.060 401 F HA -0.144 4.383 4.527 0.000 0.000 0.295 401 F C 2.258 178.112 175.800 0.091 0.000 1.120 401 F CA 1.953 60.031 58.000 0.131 0.000 1.205 401 F CB -0.620 38.514 39.000 0.224 0.000 0.986 401 F HN -0.053 nan 8.300 nan 0.000 0.470 402 V N 1.406 121.262 119.914 -0.097 0.000 2.287 402 V HA -0.302 3.818 4.120 0.000 0.000 0.248 402 V C 2.552 178.529 176.094 -0.195 0.000 1.053 402 V CA 2.403 64.565 62.300 -0.230 0.000 1.027 402 V CB -0.784 31.039 31.823 0.000 0.000 0.646 402 V HN 0.309 nan 8.190 nan 0.000 0.447 403 R N 0.085 120.530 120.500 -0.091 0.000 2.115 403 R HA -0.047 4.293 4.340 0.000 0.000 0.230 403 R C 2.404 178.641 176.300 -0.106 0.000 1.111 403 R CA 1.281 57.333 56.100 -0.080 0.000 0.976 403 R CB -0.542 29.738 30.300 -0.034 0.000 0.870 403 R HN 0.538 nan 8.270 nan 0.000 0.445 404 A N 1.203 123.952 122.820 -0.119 0.000 1.933 404 A HA -0.141 4.179 4.320 0.000 0.000 0.218 404 A C 2.047 179.530 177.584 -0.168 0.000 1.175 404 A CA 0.938 52.898 52.037 -0.127 0.000 0.628 404 A CB -0.320 18.618 19.000 -0.103 0.000 0.814 404 A HN 0.180 nan 8.150 nan 0.000 0.444 405 L N -0.280 120.785 121.223 -0.264 0.000 2.027 405 L HA -0.036 4.304 4.340 0.000 0.000 0.206 405 L C 2.770 179.539 176.870 -0.168 0.000 1.074 405 L CA 2.006 56.689 54.840 -0.262 0.000 0.745 405 L CB -0.846 40.965 42.059 -0.413 0.000 0.898 405 L HN 0.353 nan 8.230 nan 0.000 0.433 406 A N -1.553 121.171 122.820 -0.160 0.000 1.908 406 A HA -0.231 4.089 4.320 0.000 0.000 0.218 406 A C 2.398 179.926 177.584 -0.095 0.000 1.181 406 A CA 2.203 54.165 52.037 -0.126 0.000 0.627 406 A CB -0.944 17.984 19.000 -0.119 0.000 0.818 406 A HN 0.527 nan 8.150 nan 0.000 0.445 407 S N -0.178 115.469 115.700 -0.087 0.000 2.368 407 S HA -0.071 4.399 4.470 0.000 0.000 0.224 407 S C 1.809 176.378 174.600 -0.051 0.000 1.029 407 S CA 1.425 59.587 58.200 -0.063 0.000 0.988 407 S CB -0.453 62.710 63.200 -0.061 0.000 0.838 407 S HN 0.506 nan 8.310 nan 0.000 0.462 408 L N 0.685 121.872 121.223 -0.060 0.000 2.083 408 L HA -0.037 4.303 4.340 0.000 0.000 0.209 408 L C 1.040 177.892 176.870 -0.031 0.000 1.083 408 L CA 1.044 55.861 54.840 -0.039 0.000 0.752 408 L CB -0.228 41.800 42.059 -0.051 0.000 0.899 408 L HN 0.102 nan 8.230 nan 0.000 0.433 409 R N 0.302 120.774 120.500 -0.048 0.000 3.050 409 R HA 0.181 4.521 4.340 0.000 0.000 0.275 409 R C -1.795 174.476 176.300 -0.049 0.000 1.373 409 R CA -1.359 54.717 56.100 -0.041 0.000 1.612 409 R CB 0.384 30.657 30.300 -0.045 0.000 1.218 409 R HN 0.108 nan 8.270 nan 0.000 0.621 410 P HA -0.149 nan 4.420 nan 0.000 0.216 410 P C 0.168 177.444 177.300 -0.040 0.000 1.153 410 P CA 1.273 64.350 63.100 -0.038 0.000 0.848 410 P CB 0.374 32.060 31.700 -0.023 0.000 0.787 411 D N -1.178 119.204 120.400 -0.030 0.000 2.350 411 D HA 0.005 4.645 4.640 0.000 0.000 0.213 411 D C 0.821 177.100 176.300 -0.035 0.000 1.031 411 D CA 0.095 54.079 54.000 -0.027 0.000 0.861 411 D CB -0.417 40.375 40.800 -0.013 0.000 0.926 411 D HN 0.156 nan 8.370 nan 0.000 0.520 412 C N 1.418 120.691 119.300 -0.046 0.000 2.539 412 C HA 0.610 5.070 4.460 0.000 0.000 0.392 412 C C 0.476 175.396 174.990 -0.118 0.000 1.269 412 C CA -0.531 58.452 59.018 -0.058 0.000 2.250 412 C CB -0.044 27.668 27.740 -0.048 0.000 2.584 412 C HN 0.304 nan 8.230 nan 0.000 0.589 413 A N 5.704 128.429 122.820 -0.159 0.000 2.444 413 A HA 0.556 4.876 4.320 0.000 0.000 0.332 413 A C -0.280 176.972 177.584 -0.553 0.000 1.430 413 A CA -0.281 51.533 52.037 -0.371 0.000 0.975 413 A CB 0.022 18.806 19.000 -0.359 0.000 1.147 413 A HN 0.875 nan 8.150 nan 0.000 0.524 414 V N 3.259 122.905 119.914 -0.445 0.000 2.530 414 V HA 0.266 4.386 4.120 0.000 0.000 0.282 414 V C -0.415 175.404 176.094 -0.459 0.000 1.048 414 V CA 0.245 62.343 62.300 -0.337 0.000 0.997 414 V CB 0.084 31.788 31.823 -0.199 0.000 0.987 414 V HN 0.721 nan 8.190 nan 0.000 0.477 415 Y N 1.782 122.053 120.300 -0.049 0.000 2.562 415 Y HA 0.728 5.278 4.550 0.000 0.000 0.343 415 Y C 0.504 176.361 175.900 -0.071 0.000 1.025 415 Y CA -0.861 57.193 58.100 -0.077 0.000 1.082 415 Y CB 2.390 40.779 38.460 -0.119 0.000 1.264 415 Y HN 0.708 nan 8.280 nan 0.000 0.478 416 T N -1.262 113.355 114.554 0.105 0.000 2.900 416 T HA 0.856 5.206 4.350 0.000 0.000 0.303 416 T C -0.626 174.042 174.700 -0.053 0.000 1.142 416 T CA -1.041 61.077 62.100 0.030 0.000 1.007 416 T CB 1.503 70.398 68.868 0.046 0.000 1.156 416 T HN 0.855 nan 8.240 nan 0.000 0.490 417 A N 1.641 124.417 122.820 -0.072 0.000 2.386 417 A HA 0.477 4.797 4.320 0.000 0.000 0.248 417 A C 1.184 178.751 177.584 -0.027 0.000 1.082 417 A CA -0.522 51.446 52.037 -0.114 0.000 0.789 417 A CB -0.022 18.978 19.000 -0.000 0.000 1.025 417 A HN 0.898 nan 8.150 nan 0.000 0.490 418 N N -0.077 118.613 118.700 -0.016 0.000 2.220 418 N HA 0.158 4.898 4.740 0.000 0.000 0.182 418 N C 0.402 175.939 175.510 0.045 0.000 1.023 418 N CA 1.450 54.510 53.050 0.017 0.000 0.856 418 N CB -0.097 38.401 38.487 0.018 0.000 0.997 418 N HN 0.852 nan 8.380 nan 0.000 0.429 419 A N -1.208 121.650 122.820 0.065 0.000 2.386 419 A HA 0.455 4.775 4.320 0.000 0.000 0.308 419 A C -0.918 176.728 177.584 0.102 0.000 1.128 419 A CA -0.585 51.499 52.037 0.078 0.000 0.789 419 A CB 0.454 19.489 19.000 0.060 0.000 1.325 419 A HN 0.487 nan 8.150 nan 0.000 0.437 420 H N 1.388 120.480 119.070 0.036 0.000 2.871 420 H HA 0.313 4.869 4.556 0.000 0.000 0.355 420 H C -0.587 174.768 175.328 0.045 0.000 1.092 420 H CA 0.832 56.906 56.048 0.044 0.000 1.420 420 H CB 0.396 30.177 29.762 0.030 0.000 1.400 420 H HN 0.504 nan 8.280 nan 0.000 0.604 421 N N 3.396 121.646 118.700 -0.750 0.000 2.352 421 N HA 0.096 4.836 4.740 0.000 0.000 0.291 421 N C -1.345 173.777 175.510 -0.646 0.000 1.040 421 N CA -0.650 52.079 53.050 -0.535 0.000 0.864 421 N CB 1.642 39.996 38.487 -0.222 0.000 1.440 421 N HN 0.771 nan 8.380 nan 0.000 0.483 422 D N 0.641 120.917 120.400 -0.207 0.000 2.488 422 D HA -0.063 4.577 4.640 0.000 0.000 0.238 422 D C 1.357 177.757 176.300 0.166 0.000 1.138 422 D CA 0.110 54.189 54.000 0.132 0.000 0.873 422 D CB 1.124 42.135 40.800 0.352 0.000 1.183 422 D HN 0.149 nan 8.370 nan 0.000 0.458 423 V N 3.014 123.025 119.914 0.162 0.000 2.660 423 V HA -0.206 3.914 4.120 0.000 0.000 0.257 423 V C 1.598 177.761 176.094 0.116 0.000 1.088 423 V CA 2.206 64.581 62.300 0.125 0.000 1.106 423 V CB -0.215 31.680 31.823 0.120 0.000 0.686 423 V HN 0.640 nan 8.190 nan 0.000 0.481 424 S N -0.861 114.945 115.700 0.176 0.000 2.575 424 S HA 0.081 4.551 4.470 0.000 0.000 0.215 424 S C 1.280 175.820 174.600 -0.100 0.000 0.966 424 S CA 0.355 58.608 58.200 0.088 0.000 0.911 424 S CB -0.156 63.154 63.200 0.184 0.000 0.780 424 S HN 0.746 nan 8.310 nan 0.000 0.514 425 F N 3.350 123.178 119.950 -0.204 0.000 2.095 425 F HA -0.082 4.445 4.527 0.000 0.000 0.298 425 F C 2.218 177.747 175.800 -0.452 0.000 1.104 425 F CA 1.464 59.142 58.000 -0.538 0.000 1.232 425 F CB -1.101 37.735 39.000 -0.273 0.000 0.987 425 F HN 0.241 nan 8.300 nan 0.000 0.475 426 G N 0.232 108.737 108.800 -0.491 0.000 2.606 426 G HA2 -0.416 3.544 3.960 0.000 0.000 0.221 426 G HA3 -0.416 3.544 3.960 0.000 0.000 0.221 426 G C 1.857 176.394 174.900 -0.605 0.000 1.152 426 G CA 1.548 46.323 45.100 -0.541 0.000 0.765 426 G HN 0.735 nan 8.290 nan 0.000 0.595 427 A N 0.109 122.636 122.820 -0.490 0.000 1.978 427 A HA 0.018 4.338 4.320 0.000 0.000 0.220 427 A C 2.374 179.674 177.584 -0.474 0.000 1.170 427 A CA 1.746 53.542 52.037 -0.401 0.000 0.636 427 A CB -0.376 18.436 19.000 -0.312 0.000 0.810 427 A HN 0.332 nan 8.150 nan 0.000 0.448 428 L N -0.135 120.674 121.223 -0.689 0.000 2.081 428 L HA -0.190 4.151 4.340 0.000 0.000 0.212 428 L C 2.498 179.089 176.870 -0.465 0.000 1.080 428 L CA 1.782 56.259 54.840 -0.604 0.000 0.754 428 L CB -0.629 40.977 42.059 -0.755 0.000 0.893 428 L HN 0.363 nan 8.230 nan 0.000 0.433 429 R N -1.133 119.034 120.500 -0.555 0.000 2.328 429 R HA -0.091 4.249 4.340 0.000 0.000 0.207 429 R C 1.757 177.914 176.300 -0.238 0.000 1.056 429 R CA 0.358 56.244 56.100 -0.358 0.000 1.016 429 R CB -0.280 29.802 30.300 -0.362 0.000 0.872 429 R HN 0.239 nan 8.270 nan 0.000 0.471 430 L N 0.300 121.374 121.223 -0.249 0.000 2.270 430 L HA 0.019 4.359 4.340 0.000 0.000 0.210 430 L C 1.809 178.591 176.870 -0.147 0.000 1.104 430 L CA 1.352 56.082 54.840 -0.184 0.000 0.804 430 L CB -0.029 41.918 42.059 -0.187 0.000 0.937 430 L HN 0.068 nan 8.230 nan 0.000 0.450 431 I N -1.390 119.084 120.570 -0.159 0.000 2.368 431 I HA -0.025 4.145 4.170 0.000 0.000 0.238 431 I C 0.293 176.352 176.117 -0.096 0.000 1.076 431 I CA 0.509 61.739 61.300 -0.117 0.000 1.397 431 I CB 0.064 37.992 38.000 -0.119 0.000 1.141 431 I HN 0.048 nan 8.210 nan 0.000 0.430 432 D N 1.305 121.639 120.400 -0.110 0.000 2.477 432 D HA 0.199 4.839 4.640 0.000 0.000 0.239 432 D C -1.949 174.299 176.300 -0.087 0.000 1.102 432 D CA -2.402 51.552 54.000 -0.077 0.000 0.901 432 D CB 1.332 42.100 40.800 -0.054 0.000 1.026 432 D HN -0.106 nan 8.370 nan 0.000 0.515 433 P HA -0.021 nan 4.420 nan 0.000 0.219 433 P C 1.370 178.646 177.300 -0.040 0.000 1.146 433 P CA 0.793 63.855 63.100 -0.063 0.000 0.808 433 P CB 0.294 31.972 31.700 -0.035 0.000 0.779 434 G N -1.010 107.775 108.800 -0.025 0.000 2.559 434 G HA2 -0.105 3.855 3.960 0.000 0.000 0.216 434 G HA3 -0.105 3.855 3.960 0.000 0.000 0.216 434 G C 0.467 175.369 174.900 0.004 0.000 1.126 434 G CA -0.009 45.086 45.100 -0.008 0.000 0.778 434 G HN 0.197 nan 8.290 nan 0.000 0.543 435 L N 1.094 122.319 121.223 0.003 0.000 2.380 435 L HA 0.416 4.756 4.340 0.000 0.000 0.273 435 L C 0.472 177.411 176.870 0.115 0.000 1.138 435 L CA -0.291 54.584 54.840 0.057 0.000 0.832 435 L CB 0.737 42.827 42.059 0.053 0.000 1.124 435 L HN 0.111 nan 8.230 nan 0.000 0.454 436 R N 4.304 124.878 120.500 0.123 0.000 2.832 436 R HA 0.580 4.920 4.340 0.000 0.000 0.271 436 R C -2.346 173.868 176.300 -0.143 0.000 0.996 436 R CA -1.816 54.304 56.100 0.034 0.000 0.977 436 R CB 0.953 31.230 30.300 -0.039 0.000 1.168 436 R HN 0.432 nan 8.270 nan 0.000 0.482 437 P HA 0.005 nan 4.420 nan 0.000 0.282 437 P C -0.688 176.323 177.300 -0.482 0.000 1.286 437 P CA -0.414 62.147 63.100 -0.899 0.000 0.777 437 P CB 0.476 31.623 31.700 -0.921 0.000 1.184 438 Q N -0.124 119.453 119.800 -0.373 0.000 2.299 438 Q HA 0.462 4.802 4.340 0.000 0.000 0.246 438 Q C 0.860 176.877 176.000 0.029 0.000 0.935 438 Q CA 0.472 56.194 55.803 -0.136 0.000 0.887 438 Q CB 0.601 29.274 28.738 -0.109 0.000 1.223 438 Q HN 0.795 nan 8.270 nan 0.000 0.439 439 G N 2.168 110.996 108.800 0.046 0.000 2.698 439 G HA2 -0.249 3.711 3.960 0.000 0.000 0.233 439 G HA3 -0.249 3.711 3.960 0.000 0.000 0.233 439 G C -0.751 174.233 174.900 0.139 0.000 1.352 439 G CA -0.180 44.970 45.100 0.082 0.000 0.879 439 G HN 0.571 nan 8.290 nan 0.000 0.567 440 E N -1.478 118.770 120.200 0.080 0.000 2.433 440 E HA 0.600 4.950 4.350 0.000 0.000 0.273 440 E C -0.345 176.165 176.600 -0.150 0.000 0.950 440 E CA -1.042 55.379 56.400 0.035 0.000 0.796 440 E CB 1.745 31.456 29.700 0.018 0.000 1.330 440 E HN 0.490 nan 8.360 nan 0.000 0.455 441 L N 1.615 122.654 121.223 -0.307 0.000 2.331 441 L HA 0.346 4.686 4.340 0.000 0.000 0.278 441 L C -0.626 176.189 176.870 -0.092 0.000 1.106 441 L CA -0.713 53.896 54.840 -0.385 0.000 0.824 441 L CB 0.774 42.366 42.059 -0.779 0.000 1.142 441 L HN 0.189 nan 8.230 nan 0.000 0.443 442 V N 3.947 123.880 119.914 0.031 0.000 2.417 442 V HA 0.360 4.480 4.120 0.000 0.000 0.291 442 V C 0.341 176.551 176.094 0.193 0.000 1.024 442 V CA -0.759 61.600 62.300 0.099 0.000 0.861 442 V CB 1.529 33.377 31.823 0.043 0.000 0.985 442 V HN 0.712 nan 8.190 nan 0.000 0.436 443 R N 4.026 124.629 120.500 0.171 0.000 2.594 443 R HA 0.320 4.660 4.340 0.000 0.000 0.272 443 R C -0.653 175.613 176.300 -0.057 0.000 1.074 443 R CA -0.511 55.573 56.100 -0.028 0.000 1.105 443 R CB 0.494 30.737 30.300 -0.095 0.000 1.008 443 R HN 0.532 nan 8.270 nan 0.000 0.472 444 I N 4.016 124.512 120.570 -0.124 0.000 2.365 444 I HA 0.134 4.304 4.170 0.000 0.000 0.291 444 I C 0.406 176.472 176.117 -0.085 0.000 1.004 444 I CA -0.221 61.029 61.300 -0.082 0.000 1.311 444 I CB 1.317 39.264 38.000 -0.089 0.000 1.401 444 I HN 0.613 nan 8.210 nan 0.000 0.491 445 E N 7.287 127.455 120.200 -0.054 0.000 2.338 445 E HA 0.278 4.628 4.350 0.000 0.000 0.272 445 E C -2.211 174.357 176.600 -0.053 0.000 1.029 445 E CA -1.599 54.772 56.400 -0.048 0.000 0.872 445 E CB 0.433 30.116 29.700 -0.029 0.000 1.015 445 E HN 0.271 nan 8.360 nan 0.000 0.417 446 P HA -0.022 nan 4.420 nan 0.000 0.270 446 P C -0.054 177.220 177.300 -0.044 0.000 1.227 446 P CA -0.001 63.066 63.100 -0.055 0.000 0.788 446 P CB 0.438 32.109 31.700 -0.049 0.000 0.926 447 L N 1.431 122.626 121.223 -0.047 0.000 2.499 447 L HA 0.035 4.375 4.340 0.000 0.000 0.273 447 L C 1.152 178.003 176.870 -0.032 0.000 1.195 447 L CA -0.018 54.798 54.840 -0.039 0.000 0.882 447 L CB -0.308 41.720 42.059 -0.053 0.000 1.133 447 L HN 0.410 nan 8.230 nan 0.000 0.483 448 D N 2.464 122.850 120.400 -0.023 0.000 2.506 448 D HA 0.009 4.649 4.640 0.000 0.000 0.234 448 D C -0.071 176.217 176.300 -0.021 0.000 1.143 448 D CA 0.215 54.204 54.000 -0.019 0.000 0.871 448 D CB 0.858 41.651 40.800 -0.012 0.000 1.190 448 D HN 0.479 nan 8.370 nan 0.000 0.459 455 L N 0.466 121.700 121.223 0.018 0.000 2.463 455 L HA 0.212 4.552 4.340 0.000 0.000 0.219 455 L C 1.456 178.395 176.870 0.114 0.000 1.088 455 L CA 1.025 55.890 54.840 0.042 0.000 0.849 455 L CB -0.505 41.543 42.059 -0.019 0.000 1.012 455 L HN 0.389 nan 8.230 nan 0.000 0.468 456 D N -0.787 119.662 120.400 0.082 0.000 2.078 456 D HA -0.159 4.481 4.640 0.000 0.000 0.193 456 D C 1.847 178.214 176.300 0.111 0.000 0.990 456 D CA 2.034 56.085 54.000 0.085 0.000 0.827 456 D CB -0.088 40.745 40.800 0.055 0.000 0.975 456 D HN 0.229 nan 8.370 nan 0.000 0.451 457 T N 0.420 115.036 114.554 0.104 0.000 2.653 457 T HA -0.251 4.099 4.350 0.000 0.000 0.268 457 T C 1.843 176.629 174.700 0.143 0.000 1.035 457 T CA 1.396 63.558 62.100 0.103 0.000 1.154 457 T CB -0.696 68.227 68.868 0.091 0.000 0.862 457 T HN 0.199 nan 8.240 nan 0.000 0.441 458 Y N 1.899 122.230 120.300 0.052 0.000 2.070 458 Y HA -0.187 4.363 4.550 0.000 0.000 0.280 458 Y C 2.838 178.806 175.900 0.114 0.000 1.148 458 Y CA 1.875 60.017 58.100 0.071 0.000 1.125 458 Y CB -0.265 38.219 38.460 0.040 0.000 0.975 458 Y HN -0.029 nan 8.280 nan 0.000 0.492 459 R N 0.262 120.920 120.500 0.263 0.000 2.096 459 R HA -0.188 4.152 4.340 0.000 0.000 0.235 459 R C 1.968 178.394 176.300 0.210 0.000 1.127 459 R CA 1.679 57.915 56.100 0.227 0.000 0.968 459 R CB -0.318 30.089 30.300 0.179 0.000 0.861 459 R HN 0.399 nan 8.270 nan 0.000 0.440 460 N N 0.691 119.472 118.700 0.135 0.000 2.069 460 N HA -0.182 4.558 4.740 0.000 0.000 0.191 460 N C 1.781 177.326 175.510 0.059 0.000 1.031 460 N CA 1.438 54.541 53.050 0.090 0.000 0.852 460 N CB -0.260 38.266 38.487 0.066 0.000 1.018 460 N HN 0.171 nan 8.380 nan 0.000 0.423 461 R N 0.011 120.535 120.500 0.039 0.000 2.080 461 R HA -0.136 4.204 4.340 0.000 0.000 0.236 461 R C 1.978 178.274 176.300 -0.007 0.000 1.137 461 R CA 1.443 57.539 56.100 -0.006 0.000 0.943 461 R CB -0.843 29.434 30.300 -0.038 0.000 0.846 461 R HN 0.372 nan 8.270 nan 0.000 0.431 462 W N 1.629 122.808 121.300 -0.203 0.000 2.301 462 W HA -0.296 4.364 4.660 0.000 0.000 0.325 462 W C 2.016 178.461 176.519 -0.123 0.000 1.250 462 W CA 1.948 59.176 57.345 -0.195 0.000 1.261 462 W CB -0.517 28.815 29.460 -0.214 0.000 1.157 462 W HN 0.169 nan 8.180 nan 0.000 0.473 463 Q N -0.330 119.485 119.800 0.026 0.000 2.045 463 Q HA -0.254 4.086 4.340 0.000 0.000 0.206 463 Q C 2.441 178.322 176.000 -0.199 0.000 0.991 463 Q CA 2.150 57.861 55.803 -0.153 0.000 0.851 463 Q CB -0.896 27.882 28.738 0.067 0.000 0.911 463 Q HN 0.407 nan 8.270 nan 0.000 0.418 464 A N 1.342 124.100 122.820 -0.104 0.000 1.873 464 A HA -0.266 4.054 4.320 0.000 0.000 0.218 464 A C 1.977 179.472 177.584 -0.148 0.000 1.193 464 A CA 1.674 53.653 52.037 -0.097 0.000 0.629 464 A CB -0.595 18.373 19.000 -0.055 0.000 0.826 464 A HN 0.281 nan 8.150 nan 0.000 0.447 465 E N -0.273 119.817 120.200 -0.182 0.000 2.070 465 E HA -0.160 4.190 4.350 0.000 0.000 0.197 465 E C 2.231 178.666 176.600 -0.276 0.000 1.004 465 E CA 1.454 57.730 56.400 -0.207 0.000 0.805 465 E CB -0.716 28.860 29.700 -0.207 0.000 0.744 465 E HN 0.391 nan 8.360 nan 0.000 0.451 466 V N 1.330 120.979 119.914 -0.442 0.000 2.282 466 V HA -0.239 3.881 4.120 0.000 0.000 0.249 466 V C 1.646 177.585 176.094 -0.258 0.000 1.057 466 V CA 1.725 63.741 62.300 -0.473 0.000 1.032 466 V CB -0.467 30.895 31.823 -0.769 0.000 0.645 466 V HN 0.255 nan 8.190 nan 0.000 0.447 467 E N 0.000 120.080 120.200 -0.200 0.000 2.725 467 E HA 0.000 4.350 4.350 0.000 0.000 0.291 467 E CA 0.000 56.333 56.400 -0.111 0.000 0.976 467 E CB 0.000 29.650 29.700 -0.084 0.000 0.812 467 E HN 0.000 nan 8.360 nan 0.000 0.440