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 2aka_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNQANGSGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNSAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYLKEKINW DATA SEQUENCE TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEAREQR ISEI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.503 175.510 -0.012 0.000 1.280 2 N CA 0.000 53.058 53.050 0.013 0.000 0.885 2 N CB 0.000 38.551 38.487 0.107 0.000 1.341 3 P HA -0.143 nan 4.420 nan 0.000 0.220 3 P C 1.275 178.532 177.300 -0.070 0.000 1.144 3 P CA 0.898 63.981 63.100 -0.028 0.000 0.800 3 P CB 0.399 32.080 31.700 -0.031 0.000 0.772 4 I N -1.289 119.067 120.570 -0.356 0.000 2.614 4 I HA -0.186 3.983 4.170 -0.001 0.000 0.258 4 I C 1.830 177.815 176.117 -0.219 0.000 1.189 4 I CA 1.375 62.356 61.300 -0.532 0.000 1.462 4 I CB -0.564 36.974 38.000 -0.769 0.000 1.092 4 I HN 0.082 nan 8.210 nan 0.000 0.442 5 H N -1.826 117.295 119.070 0.085 0.000 2.885 5 H HA 0.096 4.652 4.556 -0.001 0.000 0.260 5 H C 0.358 175.649 175.328 -0.062 0.000 0.985 5 H CA -0.287 55.799 56.048 0.064 0.000 1.210 5 H CB 0.361 30.123 29.762 -0.000 0.000 1.466 5 H HN 0.024 nan 8.280 nan 0.000 0.493 6 D N 0.849 121.281 120.400 0.053 0.000 2.374 6 D HA 0.016 4.656 4.640 -0.001 0.000 0.240 6 D C 0.864 177.057 176.300 -0.179 0.000 1.229 6 D CA -0.138 53.840 54.000 -0.038 0.000 0.895 6 D CB 0.629 41.440 40.800 0.018 0.000 1.046 6 D HN -0.012 nan 8.370 nan 0.000 0.498 7 R N 1.215 121.499 120.500 -0.360 0.000 2.293 7 R HA -0.061 4.278 4.340 -0.001 0.000 0.219 7 R C 1.942 178.154 176.300 -0.147 0.000 1.091 7 R CA 1.427 57.248 56.100 -0.465 0.000 1.004 7 R CB -0.389 29.714 30.300 -0.329 0.000 0.865 7 R HN 0.556 nan 8.270 nan 0.000 0.469 8 T N -3.228 111.282 114.554 -0.072 0.000 3.065 8 T HA 0.092 4.442 4.350 -0.001 0.000 0.252 8 T C 0.892 175.604 174.700 0.020 0.000 1.099 8 T CA 0.140 62.226 62.100 -0.023 0.000 1.063 8 T CB -0.115 68.742 68.868 -0.018 0.000 0.948 8 T HN 0.143 nan 8.240 nan 0.000 0.506 9 S N 1.168 116.910 115.700 0.070 0.000 2.589 9 S HA 0.171 4.640 4.470 -0.001 0.000 0.265 9 S C 0.542 175.218 174.600 0.128 0.000 1.342 9 S CA -0.421 57.850 58.200 0.119 0.000 1.005 9 S CB 0.675 63.981 63.200 0.177 0.000 0.909 9 S HN 0.104 nan 8.310 nan 0.000 0.555 10 D N -0.248 120.244 120.400 0.153 0.000 2.224 10 D HA -0.022 4.618 4.640 -0.001 0.000 0.205 10 D C 1.372 177.802 176.300 0.216 0.000 0.965 10 D CA 0.949 55.058 54.000 0.181 0.000 0.852 10 D CB -0.404 40.570 40.800 0.289 0.000 0.947 10 D HN 0.736 nan 8.370 nan 0.000 0.494 11 Y N 0.670 121.040 120.300 0.116 0.000 2.145 11 Y HA -0.239 4.311 4.550 0.000 0.000 0.286 11 Y C 2.348 178.259 175.900 0.018 0.000 1.145 11 Y CA 1.814 59.964 58.100 0.084 0.000 1.148 11 Y CB -0.187 38.293 38.460 0.035 0.000 0.981 11 Y HN 0.137 nan 8.280 nan 0.000 0.507 12 H N 0.107 119.210 119.070 0.055 0.000 2.363 12 H HA -0.115 4.440 4.556 -0.001 0.000 0.301 12 H C 2.274 177.509 175.328 -0.156 0.000 1.074 12 H CA 1.704 57.710 56.048 -0.071 0.000 1.354 12 H CB 0.029 29.802 29.762 0.019 0.000 1.397 12 H HN 0.353 nan 8.280 nan 0.000 0.516 13 K N 0.381 120.735 120.400 -0.077 0.000 2.032 13 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 13 K C 1.103 177.434 176.600 -0.448 0.000 1.048 13 K CA 1.632 57.726 56.287 -0.322 0.000 0.927 13 K CB 0.009 32.196 32.500 -0.522 0.000 0.712 13 K HN 0.200 nan 8.250 nan 0.000 0.441 14 Y N -0.454 119.797 120.300 -0.081 0.000 2.449 14 Y HA 0.223 4.773 4.550 -0.001 0.000 0.254 14 Y C 1.178 176.973 175.900 -0.174 0.000 1.140 14 Y CA 0.075 58.104 58.100 -0.118 0.000 1.272 14 Y CB 0.683 39.085 38.460 -0.096 0.000 1.114 14 Y HN -0.017 nan 8.280 nan 0.000 0.525 15 L N -1.055 120.069 121.223 -0.165 0.000 3.039 15 L HA 0.246 4.585 4.340 -0.001 0.000 0.269 15 L C -0.032 176.634 176.870 -0.340 0.000 1.169 15 L CA 0.074 54.760 54.840 -0.257 0.000 0.986 15 L CB 0.518 42.350 42.059 -0.378 0.000 1.377 15 L HN -0.258 nan 8.230 nan 0.000 0.575 16 K N 0.600 120.790 120.400 -0.352 0.000 2.340 16 K HA 0.514 4.833 4.320 -0.001 0.000 0.244 16 K C -0.579 175.934 176.600 -0.144 0.000 0.973 16 K CA -0.794 55.315 56.287 -0.297 0.000 0.828 16 K CB 3.058 35.254 32.500 -0.506 0.000 1.226 16 K HN -0.350 nan 8.250 nan 0.000 0.437 17 V N 3.416 123.278 119.914 -0.086 0.000 2.715 17 V HA -0.019 4.101 4.120 -0.001 0.000 0.299 17 V C 1.640 177.727 176.094 -0.012 0.000 1.054 17 V CA 0.014 62.288 62.300 -0.044 0.000 1.077 17 V CB 0.523 32.334 31.823 -0.021 0.000 0.972 17 V HN 0.601 nan 8.190 nan 0.000 0.484 18 K N 3.472 123.863 120.400 -0.015 0.000 2.218 18 K HA -0.279 4.041 4.320 -0.001 0.000 0.205 18 K C 2.052 178.663 176.600 0.017 0.000 1.046 18 K CA 1.816 58.101 56.287 -0.003 0.000 0.933 18 K CB -0.335 32.156 32.500 -0.015 0.000 0.728 18 K HN 0.935 nan 8.250 nan 0.000 0.454 19 Q N -0.072 119.741 119.800 0.021 0.000 2.167 19 Q HA -0.320 4.020 4.340 -0.001 0.000 0.218 19 Q C 1.611 177.621 176.000 0.016 0.000 1.033 19 Q CA 2.023 57.843 55.803 0.028 0.000 0.918 19 Q CB -1.051 27.704 28.738 0.028 0.000 1.019 19 Q HN 0.300 nan 8.270 nan 0.000 0.417 20 G N 1.330 110.148 108.800 0.030 0.000 2.815 20 G HA2 -0.527 3.433 3.960 -0.001 0.000 0.326 20 G HA3 -0.527 3.433 3.960 -0.001 0.000 0.326 20 G C 0.546 175.423 174.900 -0.039 0.000 1.191 20 G CA 1.244 46.347 45.100 0.005 0.000 0.965 20 G HN 0.661 nan 8.290 nan 0.000 0.564 21 D N -1.795 118.568 120.400 -0.061 0.000 3.118 21 D HA 0.148 4.787 4.640 -0.001 0.000 0.222 21 D C 2.527 178.773 176.300 -0.089 0.000 1.470 21 D CA 1.912 55.842 54.000 -0.116 0.000 1.347 21 D CB -0.609 40.131 40.800 -0.099 0.000 1.221 21 D HN 0.826 nan 8.370 nan 0.000 0.326 22 S N -0.355 115.336 115.700 -0.014 0.000 2.446 22 S HA 0.011 4.480 4.470 -0.001 0.000 0.225 22 S C 1.505 176.157 174.600 0.087 0.000 1.016 22 S CA 0.913 59.148 58.200 0.057 0.000 0.943 22 S CB -0.173 63.050 63.200 0.039 0.000 0.786 22 S HN 0.333 nan 8.310 nan 0.000 0.508 23 D N 2.449 122.880 120.400 0.050 0.000 2.062 23 D HA -0.106 4.533 4.640 -0.001 0.000 0.249 23 D C 0.343 176.696 176.300 0.088 0.000 1.114 23 D CA 1.183 55.215 54.000 0.053 0.000 0.990 23 D CB -0.491 40.326 40.800 0.028 0.000 1.442 23 D HN 0.383 nan 8.370 nan 0.000 0.533 24 L N 0.653 121.927 121.223 0.086 0.000 2.462 24 L HA 0.185 4.524 4.340 -0.001 0.000 0.283 24 L C -0.172 176.834 176.870 0.226 0.000 1.166 24 L CA -0.010 54.897 54.840 0.113 0.000 0.964 24 L CB -0.064 42.041 42.059 0.078 0.000 1.294 24 L HN 0.355 nan 8.230 nan 0.000 0.449 25 F N 2.037 121.983 119.950 -0.008 0.000 2.302 25 F HA 0.014 4.541 4.527 -0.000 0.000 0.413 25 F C 0.675 176.466 175.800 -0.015 0.000 0.835 25 F CA -0.146 57.844 58.000 -0.017 0.000 0.891 25 F CB 0.450 39.439 39.000 -0.018 0.000 1.125 25 F HN 0.295 nan 8.300 nan 0.000 0.586 26 K N 0.939 121.353 120.400 0.023 0.000 3.084 26 K HA 0.421 4.740 4.320 -0.001 0.000 0.210 26 K C -0.460 176.130 176.600 -0.016 0.000 1.137 26 K CA -0.132 56.114 56.287 -0.069 0.000 1.010 26 K CB 0.207 32.681 32.500 -0.045 0.000 0.806 26 K HN 0.118 nan 8.250 nan 0.000 0.460 27 L N 1.964 123.188 121.223 0.003 0.000 2.855 27 L HA 0.152 4.491 4.340 -0.001 0.000 0.245 27 L C 0.103 176.976 176.870 0.004 0.000 1.276 27 L CA 0.923 55.771 54.840 0.014 0.000 1.118 27 L CB -1.308 40.769 42.059 0.029 0.000 1.444 27 L HN 0.706 nan 8.230 nan 0.000 0.440 28 T N -2.283 112.264 114.554 -0.012 0.000 14.075 28 T HA -0.218 4.132 4.350 -0.001 0.000 0.419 28 T C 0.147 174.838 174.700 -0.015 0.000 1.441 28 T CA 1.671 63.765 62.100 -0.011 0.000 2.336 28 T CB -1.138 67.732 68.868 0.004 0.000 2.763 28 T HN 1.304 nan 8.240 nan 0.000 0.307 29 V N -0.657 119.260 119.914 0.005 0.000 3.494 29 V HA 0.165 4.285 4.120 -0.001 0.000 0.500 29 V C 0.137 176.238 176.094 0.012 0.000 0.682 29 V CA 1.179 63.488 62.300 0.016 0.000 2.050 29 V CB -1.381 30.443 31.823 0.002 0.000 2.483 29 V HN 2.446 nan 8.190 nan 0.000 0.507 30 S N 1.843 117.557 115.700 0.023 0.000 4.359 30 S HA 0.851 5.321 4.470 -0.001 0.000 0.202 30 S C 0.323 174.922 174.600 -0.001 0.000 1.078 30 S CA 0.556 58.762 58.200 0.010 0.000 1.776 30 S CB 1.306 64.516 63.200 0.016 0.000 0.891 30 S HN 2.467 nan 8.310 nan 0.000 0.780 31 D N -0.725 119.665 120.400 -0.017 0.000 2.672 31 D HA 0.282 4.922 4.640 -0.001 0.000 0.287 31 D C -0.689 175.562 176.300 -0.082 0.000 1.559 31 D CA -0.338 53.642 54.000 -0.034 0.000 0.796 31 D CB -0.479 40.305 40.800 -0.027 0.000 1.181 31 D HN 0.335 nan 8.370 nan 0.000 0.458 32 K N 0.545 120.873 120.400 -0.120 0.000 2.156 32 K HA 0.629 4.949 4.320 -0.001 0.000 0.271 32 K C -0.279 176.040 176.600 -0.468 0.000 0.995 32 K CA -0.588 55.523 56.287 -0.293 0.000 0.890 32 K CB 1.668 33.979 32.500 -0.316 0.000 1.073 32 K HN -0.082 nan 8.250 nan 0.000 0.454 33 R N 1.812 121.963 120.500 -0.581 0.000 2.664 33 R HA 0.424 4.764 4.340 -0.001 0.000 0.286 33 R C -1.026 174.774 176.300 -0.835 0.000 0.967 33 R CA -0.638 55.137 56.100 -0.541 0.000 0.933 33 R CB 0.962 31.076 30.300 -0.310 0.000 1.146 33 R HN 0.451 nan 8.270 nan 0.000 0.468 34 Y N 0.940 121.061 120.300 -0.299 0.000 2.630 34 Y HA 0.595 5.145 4.550 -0.001 0.000 0.337 34 Y C 0.066 175.629 175.900 -0.561 0.000 1.051 34 Y CA -1.140 56.717 58.100 -0.406 0.000 1.121 34 Y CB 1.446 39.643 38.460 -0.438 0.000 1.299 34 Y HN 0.147 nan 8.280 nan 0.000 0.498 35 I N 0.161 120.459 120.570 -0.454 0.000 2.828 35 I HA 0.204 4.374 4.170 -0.001 0.000 0.302 35 I C -1.419 174.382 176.117 -0.528 0.000 1.101 35 I CA -1.412 59.550 61.300 -0.563 0.000 1.031 35 I CB 2.000 39.599 38.000 -0.669 0.000 1.231 35 I HN 0.675 nan 8.210 nan 0.000 0.427 36 W N 5.532 126.722 121.300 -0.183 0.000 2.390 36 W HA 0.509 5.169 4.660 -0.001 0.000 0.312 36 W C -0.392 176.157 176.519 0.050 0.000 1.123 36 W CA -0.418 56.867 57.345 -0.100 0.000 1.202 36 W CB 1.030 30.355 29.460 -0.224 0.000 1.251 36 W HN 0.402 nan 8.180 nan 0.000 0.511 37 Y N -0.110 120.362 120.300 0.285 0.000 2.615 37 Y HA 0.535 5.085 4.550 -0.000 0.000 0.341 37 Y C -1.120 174.893 175.900 0.188 0.000 1.089 37 Y CA -2.090 56.132 58.100 0.203 0.000 1.049 37 Y CB 1.028 39.498 38.460 0.017 0.000 1.296 37 Y HN 0.397 nan 8.280 nan 0.000 0.470 38 N N 3.951 122.664 118.700 0.022 0.000 2.462 38 N HA 0.271 5.011 4.740 -0.001 0.000 0.242 38 N C -2.114 173.438 175.510 0.070 0.000 1.010 38 N CA -1.681 51.249 53.050 -0.200 0.000 0.939 38 N CB 1.253 39.611 38.487 -0.215 0.000 1.127 38 N HN 0.516 nan 8.380 nan 0.000 0.509 39 P HA -0.151 nan 4.420 nan 0.000 0.218 39 P C -0.214 177.155 177.300 0.114 0.000 1.148 39 P CA 1.477 64.706 63.100 0.214 0.000 0.822 39 P CB 0.241 32.007 31.700 0.110 0.000 0.784 40 D N -0.348 120.060 120.400 0.013 0.000 2.462 40 D HA 0.143 4.782 4.640 -0.001 0.000 0.245 40 D C -1.586 174.695 176.300 -0.032 0.000 1.122 40 D CA -2.777 51.221 54.000 -0.004 0.000 0.864 40 D CB 1.216 42.002 40.800 -0.024 0.000 1.098 40 D HN -0.100 nan 8.370 nan 0.000 0.541 41 P HA -0.185 nan 4.420 nan 0.000 0.222 41 P C 0.821 178.098 177.300 -0.039 0.000 1.142 41 P CA 0.899 63.990 63.100 -0.016 0.000 0.788 41 P CB 0.516 32.221 31.700 0.008 0.000 0.767 42 K N -0.408 119.968 120.400 -0.040 0.000 2.167 42 K HA -0.007 4.313 4.320 -0.001 0.000 0.203 42 K C 0.759 177.319 176.600 -0.067 0.000 1.052 42 K CA 0.662 56.923 56.287 -0.044 0.000 0.956 42 K CB 0.113 32.592 32.500 -0.035 0.000 0.735 42 K HN 0.156 nan 8.250 nan 0.000 0.451 43 E N 1.416 121.560 120.200 -0.092 0.000 2.079 43 E HA 0.024 4.373 4.350 -0.001 0.000 0.252 43 E C 0.315 176.794 176.600 -0.201 0.000 0.992 43 E CA -0.071 56.252 56.400 -0.129 0.000 0.829 43 E CB 1.032 30.656 29.700 -0.128 0.000 1.158 43 E HN 0.290 nan 8.360 nan 0.000 0.435 44 R N 0.543 120.936 120.500 -0.178 0.000 2.280 44 R HA -0.003 4.337 4.340 -0.001 0.000 0.207 44 R C 0.177 176.281 176.300 -0.326 0.000 1.043 44 R CA 0.851 56.818 56.100 -0.221 0.000 1.006 44 R CB 0.255 30.490 30.300 -0.108 0.000 0.885 44 R HN -0.029 nan 8.270 nan 0.000 0.467 45 D N 0.261 120.497 120.400 -0.273 0.000 2.402 45 D HA 0.142 4.782 4.640 -0.001 0.000 0.216 45 D C -0.633 175.496 176.300 -0.284 0.000 1.128 45 D CA 0.138 54.020 54.000 -0.196 0.000 0.833 45 D CB 0.958 41.687 40.800 -0.118 0.000 0.971 45 D HN 0.071 nan 8.370 nan 0.000 0.503 46 S N 0.456 115.885 115.700 -0.451 0.000 2.474 46 S HA 0.474 4.944 4.470 -0.001 0.000 0.321 46 S C -0.669 173.640 174.600 -0.485 0.000 1.080 46 S CA -0.539 57.457 58.200 -0.339 0.000 1.106 46 S CB 0.938 64.000 63.200 -0.230 0.000 0.984 46 S HN 0.046 nan 8.310 nan 0.000 0.464 47 Y N 0.934 121.099 120.300 -0.225 0.000 2.598 47 Y HA 0.656 5.206 4.550 -0.000 0.000 0.340 47 Y C 0.577 176.363 175.900 -0.191 0.000 1.038 47 Y CA -0.968 57.003 58.100 -0.215 0.000 1.100 47 Y CB 1.315 39.685 38.460 -0.149 0.000 1.281 47 Y HN 0.421 nan 8.280 nan 0.000 0.488 48 E N -0.083 120.029 120.200 -0.145 0.000 2.433 48 E HA 0.338 4.687 4.350 -0.001 0.000 0.273 48 E C -1.578 175.014 176.600 -0.013 0.000 0.950 48 E CA -0.761 55.565 56.400 -0.124 0.000 0.796 48 E CB 2.562 32.080 29.700 -0.303 0.000 1.330 48 E HN 0.614 nan 8.360 nan 0.000 0.455 49 C N 0.989 120.330 119.300 0.067 0.000 2.298 49 C HA 0.821 5.280 4.460 -0.001 0.000 0.323 49 C C 0.307 175.346 174.990 0.081 0.000 1.284 49 C CA -0.033 58.905 59.018 -0.134 0.000 1.577 49 C CB -0.692 26.776 27.740 -0.454 0.000 2.249 49 C HN 0.645 nan 8.230 nan 0.000 0.497 50 G N 3.833 112.702 108.800 0.115 0.000 2.432 50 G HA2 0.512 4.471 3.960 -0.001 0.000 0.331 50 G HA3 0.512 4.471 3.960 -0.001 0.000 0.331 50 G C -1.270 173.693 174.900 0.105 0.000 1.170 50 G CA -0.217 44.978 45.100 0.158 0.000 0.943 50 G HN 0.863 nan 8.290 nan 0.000 0.483 51 E N 1.163 121.476 120.200 0.188 0.000 2.229 51 E HA 0.244 4.594 4.350 -0.001 0.000 0.283 51 E C 0.131 176.721 176.600 -0.018 0.000 1.030 51 E CA -0.451 55.999 56.400 0.084 0.000 0.836 51 E CB 0.852 30.615 29.700 0.105 0.000 1.068 51 E HN 0.298 nan 8.360 nan 0.000 0.401 52 I N 5.025 125.480 120.570 -0.192 0.000 2.648 52 I HA -0.073 4.097 4.170 -0.001 0.000 0.284 52 I C 1.259 177.326 176.117 -0.083 0.000 1.153 52 I CA 0.047 61.258 61.300 -0.148 0.000 1.426 52 I CB 0.864 38.670 38.000 -0.324 0.000 1.381 52 I HN 0.542 nan 8.210 nan 0.000 0.571 53 V N 1.702 121.613 119.914 -0.006 0.000 2.948 53 V HA 0.192 4.311 4.120 -0.001 0.000 0.234 53 V C 0.662 176.759 176.094 0.006 0.000 1.205 53 V CA 0.308 62.601 62.300 -0.013 0.000 1.234 53 V CB 0.543 32.360 31.823 -0.011 0.000 1.020 53 V HN 0.674 nan 8.190 nan 0.000 0.491 54 S N -0.071 115.651 115.700 0.037 0.000 2.766 54 S HA 0.697 5.167 4.470 -0.001 0.000 0.307 54 S C -0.703 173.968 174.600 0.118 0.000 1.121 54 S CA -0.270 57.960 58.200 0.049 0.000 0.980 54 S CB 1.898 65.114 63.200 0.026 0.000 1.159 54 S HN 0.748 nan 8.310 nan 0.000 0.546 55 E N 0.099 120.357 120.200 0.097 0.000 2.397 55 E HA 0.400 4.750 4.350 -0.001 0.000 0.293 55 E C -0.856 175.750 176.600 0.011 0.000 0.930 55 E CA -0.479 55.992 56.400 0.118 0.000 0.793 55 E CB 1.523 31.321 29.700 0.164 0.000 1.259 55 E HN 0.868 nan 8.360 nan 0.000 0.406 56 T N 0.108 114.629 114.554 -0.056 0.000 2.598 56 T HA 0.376 4.726 4.350 -0.001 0.000 0.254 56 T C 1.090 175.723 174.700 -0.112 0.000 0.889 56 T CA 0.354 62.413 62.100 -0.068 0.000 1.091 56 T CB 0.890 69.728 68.868 -0.050 0.000 1.437 56 T HN 0.254 nan 8.240 nan 0.000 0.542 57 S N 1.008 116.655 115.700 -0.087 0.000 2.361 57 S HA -0.107 4.362 4.470 -0.001 0.000 0.214 57 S C 1.215 175.739 174.600 -0.126 0.000 1.034 57 S CA 2.075 60.222 58.200 -0.088 0.000 1.025 57 S CB -1.138 62.027 63.200 -0.058 0.000 0.996 57 S HN 0.915 nan 8.310 nan 0.000 0.422 58 D N 0.441 120.772 120.400 -0.114 0.000 2.559 58 D HA 0.262 4.902 4.640 -0.001 0.000 0.234 58 D C -0.047 176.165 176.300 -0.147 0.000 1.226 58 D CA 0.063 53.988 54.000 -0.125 0.000 0.830 58 D CB -0.013 40.744 40.800 -0.072 0.000 1.028 58 D HN 0.328 nan 8.370 nan 0.000 0.492 59 S N -1.524 114.057 115.700 -0.198 0.000 2.588 59 S HA 0.695 5.164 4.470 -0.001 0.000 0.269 59 S C -1.288 173.186 174.600 -0.210 0.000 1.157 59 S CA -0.925 57.181 58.200 -0.158 0.000 0.824 59 S CB 1.097 64.272 63.200 -0.041 0.000 1.126 59 S HN 0.013 nan 8.310 nan 0.000 0.464 60 F N 0.224 120.196 119.950 0.038 0.000 2.594 60 F HA 0.745 5.272 4.527 -0.001 0.000 0.335 60 F C 0.364 176.209 175.800 0.075 0.000 1.058 60 F CA -0.696 57.335 58.000 0.053 0.000 0.981 60 F CB 2.818 41.862 39.000 0.074 0.000 1.289 60 F HN 0.621 nan 8.300 nan 0.000 0.490 61 T N 2.383 117.125 114.554 0.314 0.000 2.928 61 T HA 0.540 4.889 4.350 -0.001 0.000 0.296 61 T C -1.440 173.335 174.700 0.125 0.000 1.000 61 T CA -0.495 61.671 62.100 0.110 0.000 0.989 61 T CB 0.966 69.848 68.868 0.023 0.000 1.005 61 T HN 0.430 nan 8.240 nan 0.000 0.442 62 F N 0.515 120.428 119.950 -0.062 0.000 2.643 62 F HA 0.757 5.284 4.527 -0.000 0.000 0.314 62 F C -0.907 174.810 175.800 -0.137 0.000 1.096 62 F CA -1.499 56.434 58.000 -0.111 0.000 0.953 62 F CB 1.485 40.398 39.000 -0.146 0.000 1.345 62 F HN 0.346 nan 8.300 nan 0.000 0.468 63 K N 1.237 121.648 120.400 0.019 0.000 2.240 63 K HA 0.412 4.732 4.320 -0.001 0.000 0.271 63 K C -0.268 176.343 176.600 0.018 0.000 1.018 63 K CA -0.287 55.955 56.287 -0.075 0.000 0.874 63 K CB 1.251 33.739 32.500 -0.021 0.000 1.098 63 K HN 0.927 nan 8.250 nan 0.000 0.458 64 T N -0.696 113.771 114.554 -0.145 0.000 2.716 64 T HA -0.120 4.230 4.350 -0.001 0.000 0.335 64 T C 1.335 176.099 174.700 0.106 0.000 1.081 64 T CA -0.266 61.756 62.100 -0.130 0.000 1.073 64 T CB 0.793 69.596 68.868 -0.109 0.000 0.993 64 T HN 0.465 nan 8.240 nan 0.000 0.547 65 V N 1.316 121.402 119.914 0.286 0.000 2.794 65 V HA -0.183 3.937 4.120 -0.001 0.000 0.260 65 V C 1.515 177.682 176.094 0.122 0.000 1.103 65 V CA 2.626 65.054 62.300 0.213 0.000 1.125 65 V CB -1.236 30.725 31.823 0.229 0.000 0.702 65 V HN 0.950 nan 8.190 nan 0.000 0.494 66 D N -0.391 120.069 120.400 0.101 0.000 2.394 66 D HA 0.291 4.931 4.640 -0.001 0.000 0.237 66 D C 1.671 177.992 176.300 0.034 0.000 1.028 66 D CA 1.202 55.238 54.000 0.060 0.000 0.937 66 D CB -0.175 40.655 40.800 0.051 0.000 1.072 66 D HN 0.452 nan 8.370 nan 0.000 0.457 67 G N -1.359 107.449 108.800 0.012 0.000 4.378 67 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.214 67 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.214 67 G C -0.013 174.860 174.900 -0.045 0.000 0.740 67 G CA -0.445 44.649 45.100 -0.010 0.000 0.826 67 G HN -0.047 nan 8.290 nan 0.000 0.549 68 Q N 1.044 120.811 119.800 -0.054 0.000 2.540 68 Q HA 0.386 4.726 4.340 -0.001 0.000 0.256 68 Q C -0.967 174.931 176.000 -0.171 0.000 1.084 68 Q CA 0.602 56.350 55.803 -0.092 0.000 0.956 68 Q CB 0.697 29.389 28.738 -0.077 0.000 1.303 68 Q HN 0.258 nan 8.270 nan 0.000 0.509 69 D N 0.124 120.402 120.400 -0.203 0.000 2.619 69 D HA 0.528 5.168 4.640 -0.001 0.000 0.241 69 D C -0.299 175.771 176.300 -0.382 0.000 1.087 69 D CA -0.445 53.368 54.000 -0.311 0.000 0.851 69 D CB 1.448 42.118 40.800 -0.216 0.000 1.474 69 D HN 0.264 nan 8.370 nan 0.000 0.478 70 R N 0.460 120.570 120.500 -0.650 0.000 2.831 70 R HA 0.616 4.956 4.340 -0.001 0.000 0.266 70 R C -0.833 175.144 176.300 -0.538 0.000 1.051 70 R CA -1.028 54.737 56.100 -0.558 0.000 0.943 70 R CB 1.991 31.943 30.300 -0.579 0.000 1.228 70 R HN 0.436 nan 8.270 nan 0.000 0.467 71 Q N -0.015 119.648 119.800 -0.227 0.000 2.421 71 Q HA 0.737 5.076 4.340 -0.001 0.000 0.280 71 Q C -1.572 174.494 176.000 0.110 0.000 1.085 71 Q CA -1.002 54.779 55.803 -0.036 0.000 0.807 71 Q CB 2.767 31.488 28.738 -0.028 0.000 1.405 71 Q HN 0.306 nan 8.270 nan 0.000 0.419 72 V N 1.442 121.486 119.914 0.216 0.000 2.733 72 V HA 0.349 4.468 4.120 -0.001 0.000 0.306 72 V C -1.245 174.936 176.094 0.146 0.000 1.084 72 V CA -0.832 61.597 62.300 0.214 0.000 0.905 72 V CB 2.158 34.173 31.823 0.320 0.000 1.010 72 V HN 0.743 nan 8.190 nan 0.000 0.424 73 K N 4.806 125.255 120.400 0.082 0.000 2.472 73 K HA 0.071 4.391 4.320 -0.001 0.000 0.280 73 K C 1.053 177.665 176.600 0.020 0.000 1.028 73 K CA 0.186 56.487 56.287 0.023 0.000 1.045 73 K CB 0.573 33.086 32.500 0.021 0.000 0.902 73 K HN 0.653 nan 8.250 nan 0.000 0.478 74 K N 1.634 121.980 120.400 -0.090 0.000 2.286 74 K HA -0.174 4.146 4.320 -0.001 0.000 0.203 74 K C 0.783 177.374 176.600 -0.015 0.000 1.045 74 K CA 1.272 57.477 56.287 -0.136 0.000 0.935 74 K CB 0.151 32.447 32.500 -0.340 0.000 0.737 74 K HN 0.487 nan 8.250 nan 0.000 0.460 75 D N 0.654 121.048 120.400 -0.009 0.000 2.312 75 D HA -0.090 4.550 4.640 -0.001 0.000 0.211 75 D C 0.712 177.035 176.300 0.038 0.000 0.964 75 D CA 0.987 54.994 54.000 0.012 0.000 0.877 75 D CB 0.180 40.983 40.800 0.006 0.000 0.924 75 D HN 0.214 nan 8.370 nan 0.000 0.515 76 D N -0.093 120.342 120.400 0.059 0.000 2.474 76 D HA 0.149 4.789 4.640 -0.001 0.000 0.213 76 D C 0.533 176.894 176.300 0.102 0.000 1.120 76 D CA -0.056 53.990 54.000 0.077 0.000 0.836 76 D CB 0.618 41.466 40.800 0.080 0.000 1.019 76 D HN -0.026 nan 8.370 nan 0.000 0.507 77 A N 1.058 123.953 122.820 0.125 0.000 2.462 77 A HA 0.205 4.524 4.320 -0.001 0.000 0.243 77 A C 0.348 177.960 177.584 0.047 0.000 1.076 77 A CA 0.029 52.144 52.037 0.131 0.000 0.773 77 A CB 0.188 19.358 19.000 0.284 0.000 1.010 77 A HN -0.031 nan 8.150 nan 0.000 0.493 78 N N 2.801 121.512 118.700 0.019 0.000 2.817 78 N HA 0.144 4.884 4.740 -0.001 0.000 0.234 78 N C -0.606 174.852 175.510 -0.087 0.000 1.066 78 N CA -0.028 53.031 53.050 0.015 0.000 0.926 78 N CB 1.122 39.675 38.487 0.110 0.000 1.176 78 N HN 0.717 nan 8.380 nan 0.000 0.506 79 Q N 0.706 120.316 119.800 -0.317 0.000 2.394 79 Q HA 0.148 4.488 4.340 -0.001 0.000 0.248 79 Q C 0.360 176.177 176.000 -0.305 0.000 0.992 79 Q CA 0.053 55.516 55.803 -0.567 0.000 0.888 79 Q CB 1.736 29.750 28.738 -1.207 0.000 1.257 79 Q HN 0.337 nan 8.270 nan 0.000 0.462 80 R N 2.112 122.427 120.500 -0.310 0.000 2.349 80 R HA 0.143 4.483 4.340 -0.001 0.000 0.299 80 R C -0.424 175.997 176.300 0.200 0.000 1.027 80 R CA -0.459 55.577 56.100 -0.107 0.000 0.958 80 R CB 0.652 30.629 30.300 -0.539 0.000 1.047 80 R HN 0.589 nan 8.270 nan 0.000 0.468 81 N N 4.167 123.054 118.700 0.312 0.000 2.508 81 N HA 0.130 4.870 4.740 -0.001 0.000 0.264 81 N C -2.310 173.358 175.510 0.263 0.000 1.216 81 N CA -0.965 52.213 53.050 0.213 0.000 0.943 81 N CB 0.789 39.293 38.487 0.028 0.000 1.113 81 N HN 0.470 nan 8.380 nan 0.000 0.447 82 P HA 0.011 nan 4.420 nan 0.000 0.268 82 P C 1.180 178.684 177.300 0.340 0.000 1.208 82 P CA -0.241 63.049 63.100 0.317 0.000 0.777 82 P CB 0.601 32.517 31.700 0.361 0.000 0.875 83 I N 2.407 123.105 120.570 0.214 0.000 2.530 83 I HA -0.235 3.935 4.170 -0.001 0.000 0.257 83 I C 1.843 178.050 176.117 0.150 0.000 1.179 83 I CA 1.788 63.197 61.300 0.181 0.000 1.440 83 I CB -0.343 37.729 38.000 0.120 0.000 1.087 83 I HN 0.180 nan 8.210 nan 0.000 0.440 84 K N 0.503 120.952 120.400 0.082 0.000 2.211 84 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 84 K C 1.550 178.080 176.600 -0.118 0.000 1.047 84 K CA 1.726 57.971 56.287 -0.069 0.000 0.935 84 K CB -0.617 31.746 32.500 -0.228 0.000 0.728 84 K HN 0.419 nan 8.250 nan 0.000 0.452 85 F N 0.666 120.663 119.950 0.079 0.000 2.811 85 F HA 0.115 4.641 4.527 -0.001 0.000 0.301 85 F C 0.147 175.998 175.800 0.085 0.000 1.151 85 F CA -0.190 57.856 58.000 0.077 0.000 1.412 85 F CB -0.003 39.041 39.000 0.073 0.000 1.113 85 F HN -0.169 nan 8.300 nan 0.000 0.579 86 D N 0.320 120.865 120.400 0.241 0.000 2.339 86 D HA 0.371 5.011 4.640 -0.001 0.000 0.256 86 D C 1.206 177.551 176.300 0.074 0.000 1.214 86 D CA 0.910 55.007 54.000 0.162 0.000 0.877 86 D CB 0.882 41.786 40.800 0.174 0.000 1.111 86 D HN 0.333 nan 8.370 nan 0.000 0.478 87 G N 1.331 110.147 108.800 0.026 0.000 2.159 87 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.227 87 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.227 87 G C 0.470 175.384 174.900 0.025 0.000 0.986 87 G CA 0.072 45.171 45.100 -0.001 0.000 0.651 87 G HN 0.699 nan 8.290 nan 0.000 0.523 88 V N -1.555 118.398 119.914 0.065 0.000 2.999 88 V HA 0.464 4.584 4.120 -0.001 0.000 0.307 88 V C 1.327 177.466 176.094 0.074 0.000 1.084 88 V CA 0.988 63.336 62.300 0.080 0.000 1.155 88 V CB 1.053 32.952 31.823 0.127 0.000 0.975 88 V HN 0.338 nan 8.190 nan 0.000 0.490 89 E N 0.661 120.918 120.200 0.095 0.000 2.435 89 E HA 0.037 4.386 4.350 -0.001 0.000 0.195 89 E C -0.110 176.612 176.600 0.203 0.000 1.029 89 E CA 0.679 57.154 56.400 0.124 0.000 0.865 89 E CB 0.233 30.025 29.700 0.153 0.000 0.833 89 E HN 0.884 nan 8.360 nan 0.000 0.510 90 D N -0.545 119.966 120.400 0.186 0.000 2.863 90 D HA 0.091 4.731 4.640 -0.001 0.000 0.245 90 D C 0.869 177.257 176.300 0.146 0.000 1.211 90 D CA -0.387 53.740 54.000 0.213 0.000 0.888 90 D CB 1.208 42.123 40.800 0.191 0.000 1.483 90 D HN -0.244 nan 8.370 nan 0.000 0.533 91 M N 1.589 121.269 119.600 0.134 0.000 2.267 91 M HA -0.098 4.382 4.480 -0.001 0.000 0.263 91 M C 1.608 177.960 176.300 0.087 0.000 1.063 91 M CA 0.846 56.202 55.300 0.094 0.000 1.090 91 M CB -0.967 31.680 32.600 0.079 0.000 1.392 91 M HN 0.265 nan 8.290 nan 0.000 0.422 92 S N 0.413 116.171 115.700 0.096 0.000 2.507 92 S HA -0.099 4.371 4.470 -0.001 0.000 0.235 92 S C 1.560 176.200 174.600 0.066 0.000 0.988 92 S CA 0.752 58.991 58.200 0.066 0.000 0.944 92 S CB -0.261 62.970 63.200 0.052 0.000 0.762 92 S HN 0.557 nan 8.310 nan 0.000 0.526 93 E N 0.433 120.696 120.200 0.104 0.000 2.442 93 E HA 0.126 4.475 4.350 -0.001 0.000 0.195 93 E C -0.102 176.641 176.600 0.238 0.000 1.030 93 E CA -0.020 56.475 56.400 0.158 0.000 0.869 93 E CB 0.080 29.878 29.700 0.163 0.000 0.857 93 E HN 0.448 nan 8.360 nan 0.000 0.505 94 L N 0.753 122.053 121.223 0.129 0.000 2.426 94 L HA 0.022 4.362 4.340 -0.001 0.000 0.271 94 L C 1.517 178.258 176.870 -0.216 0.000 1.169 94 L CA -0.095 54.732 54.840 -0.023 0.000 0.836 94 L CB 1.087 43.131 42.059 -0.024 0.000 1.112 94 L HN 0.030 nan 8.230 nan 0.000 0.465 95 S N 1.756 117.044 115.700 -0.688 0.000 2.412 95 S HA 0.062 4.532 4.470 -0.001 0.000 0.223 95 S C 0.562 174.911 174.600 -0.418 0.000 1.048 95 S CA 0.031 57.882 58.200 -0.581 0.000 0.954 95 S CB 0.040 62.709 63.200 -0.885 0.000 0.840 95 S HN 0.436 nan 8.310 nan 0.000 0.503 96 Y N 1.973 122.098 120.300 -0.292 0.000 2.539 96 Y HA 0.380 4.930 4.550 -0.000 0.000 0.352 96 Y C -0.113 175.727 175.900 -0.100 0.000 1.004 96 Y CA -0.464 57.551 58.100 -0.142 0.000 1.278 96 Y CB 0.503 38.903 38.460 -0.101 0.000 1.136 96 Y HN 0.157 nan 8.280 nan 0.000 0.528 97 L N 6.114 127.379 121.223 0.071 0.000 2.494 97 L HA 0.255 4.595 4.340 -0.001 0.000 0.251 97 L C -0.872 176.014 176.870 0.027 0.000 1.119 97 L CA -0.400 54.456 54.840 0.026 0.000 1.026 97 L CB -0.291 41.769 42.059 0.002 0.000 1.370 97 L HN 0.765 nan 8.230 nan 0.000 0.426 98 N N -1.209 117.505 118.700 0.022 0.000 2.453 98 N HA 0.273 5.013 4.740 -0.001 0.000 0.290 98 N C 0.402 175.869 175.510 -0.071 0.000 1.250 98 N CA -0.922 52.123 53.050 -0.007 0.000 0.815 98 N CB 0.840 39.334 38.487 0.011 0.000 1.381 98 N HN 0.069 nan 8.380 nan 0.000 0.510 99 E N -0.588 119.555 120.200 -0.096 0.000 2.038 99 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 99 E C -0.886 175.523 176.600 -0.318 0.000 1.000 99 E CA 1.460 57.775 56.400 -0.143 0.000 0.803 99 E CB -0.942 28.717 29.700 -0.068 0.000 0.750 99 E HN 0.617 nan 8.360 nan 0.000 0.448 100 P HA -0.116 nan 4.420 nan 0.000 0.221 100 P C 0.999 177.755 177.300 -0.907 0.000 1.150 100 P CA 1.436 63.894 63.100 -1.069 0.000 0.800 100 P CB 0.127 30.796 31.700 -1.718 0.000 0.787 101 A N -0.024 122.491 122.820 -0.508 0.000 1.929 101 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 101 A C 2.437 179.960 177.584 -0.102 0.000 1.176 101 A CA 1.255 53.188 52.037 -0.173 0.000 0.628 101 A CB -1.495 17.557 19.000 0.087 0.000 0.816 101 A HN 0.039 nan 8.150 nan 0.000 0.444 102 V N -1.173 118.671 119.914 -0.115 0.000 2.307 102 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 102 V C 2.262 178.285 176.094 -0.118 0.000 1.045 102 V CA 2.087 64.341 62.300 -0.078 0.000 1.024 102 V CB -0.882 30.909 31.823 -0.054 0.000 0.651 102 V HN 0.652 nan 8.190 nan 0.000 0.449 103 F N 0.852 120.640 119.950 -0.271 0.000 2.134 103 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 103 F C 2.426 178.067 175.800 -0.265 0.000 1.097 103 F CA 2.311 60.146 58.000 -0.275 0.000 1.264 103 F CB -0.501 38.299 39.000 -0.333 0.000 1.001 103 F HN 0.341 nan 8.300 nan 0.000 0.479 104 H N 0.251 119.047 119.070 -0.457 0.000 2.319 104 H HA -0.199 4.357 4.556 -0.000 0.000 0.299 104 H C 2.278 177.434 175.328 -0.286 0.000 1.092 104 H CA 2.325 58.125 56.048 -0.413 0.000 1.302 104 H CB -0.837 28.754 29.762 -0.286 0.000 1.373 104 H HN 0.407 nan 8.280 nan 0.000 0.497 105 N N -0.400 118.112 118.700 -0.312 0.000 2.166 105 N HA -0.154 4.586 4.740 -0.001 0.000 0.186 105 N C 1.914 177.241 175.510 -0.304 0.000 1.019 105 N CA 1.058 53.952 53.050 -0.261 0.000 0.856 105 N CB -0.092 38.346 38.487 -0.081 0.000 0.993 105 N HN 0.317 nan 8.380 nan 0.000 0.426 106 L N 1.989 122.996 121.223 -0.361 0.000 2.083 106 L HA -0.089 4.251 4.340 -0.001 0.000 0.209 106 L C 2.581 179.204 176.870 -0.412 0.000 1.083 106 L CA 1.362 55.989 54.840 -0.356 0.000 0.752 106 L CB -0.562 41.251 42.059 -0.412 0.000 0.899 106 L HN 0.126 nan 8.230 nan 0.000 0.433 107 R N -1.406 118.715 120.500 -0.631 0.000 2.073 107 R HA -0.092 4.248 4.340 -0.001 0.000 0.229 107 R C 2.114 178.244 176.300 -0.284 0.000 1.120 107 R CA 1.428 57.228 56.100 -0.501 0.000 0.967 107 R CB -0.206 29.703 30.300 -0.652 0.000 0.862 107 R HN 0.265 nan 8.270 nan 0.000 0.436 108 V N 1.295 120.985 119.914 -0.373 0.000 2.332 108 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 108 V C 2.441 178.448 176.094 -0.144 0.000 1.055 108 V CA 1.993 64.144 62.300 -0.249 0.000 1.038 108 V CB -0.450 31.196 31.823 -0.294 0.000 0.651 108 V HN 0.394 nan 8.190 nan 0.000 0.450 109 R N -1.570 118.842 120.500 -0.146 0.000 2.062 109 R HA -0.139 4.200 4.340 -0.001 0.000 0.229 109 R C 2.348 178.606 176.300 -0.069 0.000 1.128 109 R CA 1.746 57.788 56.100 -0.098 0.000 0.960 109 R CB -0.537 29.706 30.300 -0.095 0.000 0.855 109 R HN 0.544 nan 8.270 nan 0.000 0.432 110 Y N 2.290 122.469 120.300 -0.201 0.000 2.207 110 Y HA -0.221 4.329 4.550 -0.001 0.000 0.287 110 Y C 1.651 177.473 175.900 -0.131 0.000 1.156 110 Y CA 1.544 59.535 58.100 -0.182 0.000 1.182 110 Y CB -0.185 38.149 38.460 -0.209 0.000 0.979 110 Y HN 0.036 nan 8.280 nan 0.000 0.521 111 N N 0.069 118.750 118.700 -0.031 0.000 2.453 111 N HA -0.111 4.629 4.740 -0.001 0.000 0.183 111 N C 0.786 176.236 175.510 -0.100 0.000 1.041 111 N CA 1.100 54.112 53.050 -0.063 0.000 0.900 111 N CB -0.167 38.312 38.487 -0.014 0.000 0.961 111 N HN 0.576 nan 8.380 nan 0.000 0.443 112 Q N 0.067 119.801 119.800 -0.110 0.000 2.188 112 Q HA 0.086 4.426 4.340 -0.001 0.000 0.212 112 Q C -0.748 175.178 176.000 -0.122 0.000 0.846 112 Q CA -0.197 55.546 55.803 -0.099 0.000 0.989 112 Q CB 0.615 29.305 28.738 -0.080 0.000 1.114 112 Q HN 0.093 nan 8.270 nan 0.000 0.488 113 D N 0.240 120.519 120.400 -0.203 0.000 2.945 113 D HA -0.180 4.460 4.640 -0.001 0.000 0.225 113 D C -0.763 175.423 176.300 -0.191 0.000 1.158 113 D CA 0.880 54.734 54.000 -0.242 0.000 0.805 113 D CB -1.163 39.571 40.800 -0.109 0.000 1.098 113 D HN 0.358 nan 8.370 nan 0.000 0.426 114 L N 1.386 122.509 121.223 -0.166 0.000 2.270 114 L HA 0.325 4.665 4.340 -0.001 0.000 0.286 114 L C 2.104 178.876 176.870 -0.164 0.000 1.059 114 L CA -0.475 54.281 54.840 -0.140 0.000 0.839 114 L CB 0.536 42.533 42.059 -0.103 0.000 1.221 114 L HN 0.071 nan 8.230 nan 0.000 0.431 115 I N -0.934 119.470 120.570 -0.277 0.000 3.419 115 I HA 0.084 4.254 4.170 -0.001 0.000 0.286 115 I C -0.053 175.769 176.117 -0.491 0.000 1.268 115 I CA 0.179 61.266 61.300 -0.354 0.000 1.414 115 I CB -0.033 37.667 38.000 -0.500 0.000 1.074 115 I HN 0.275 nan 8.210 nan 0.000 0.457 116 Y N 1.615 121.806 120.300 -0.181 0.000 2.331 116 Y HA 0.601 5.151 4.550 0.000 0.000 0.338 116 Y C -0.128 175.636 175.900 -0.227 0.000 0.992 116 Y CA -0.762 57.199 58.100 -0.232 0.000 1.121 116 Y CB 1.901 40.172 38.460 -0.316 0.000 1.184 116 Y HN -0.078 nan 8.280 nan 0.000 0.469 117 T N 2.402 116.916 114.554 -0.066 0.000 2.993 117 T HA 0.326 4.676 4.350 -0.001 0.000 0.312 117 T C -1.281 173.374 174.700 -0.074 0.000 1.115 117 T CA -0.983 61.068 62.100 -0.081 0.000 1.027 117 T CB 0.743 69.587 68.868 -0.039 0.000 1.116 117 T HN 0.230 nan 8.240 nan 0.000 0.464 118 Y N 1.164 121.533 120.300 0.115 0.000 2.316 118 Y HA 0.568 5.118 4.550 -0.000 0.000 0.324 118 Y C 1.070 177.055 175.900 0.142 0.000 1.267 118 Y CA -0.561 57.627 58.100 0.147 0.000 1.311 118 Y CB 1.286 39.828 38.460 0.136 0.000 1.267 118 Y HN 0.589 nan 8.280 nan 0.000 0.516 119 S N 1.513 117.451 115.700 0.398 0.000 2.496 119 S HA 0.531 5.001 4.470 -0.001 0.000 0.221 119 S C 0.170 174.969 174.600 0.332 0.000 1.260 119 S CA 0.079 58.457 58.200 0.297 0.000 1.181 119 S CB -0.606 62.748 63.200 0.256 0.000 1.136 119 S HN 1.273 nan 8.310 nan 0.000 0.467 120 G N 3.932 112.864 108.800 0.220 0.000 2.591 120 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.298 120 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.298 120 G C 0.498 175.476 174.900 0.131 0.000 1.195 120 G CA 0.445 45.629 45.100 0.141 0.000 0.989 120 G HN 0.800 nan 8.290 nan 0.000 0.551 121 L N 0.954 122.221 121.223 0.072 0.000 2.201 121 L HA 0.311 4.650 4.340 -0.001 0.000 0.212 121 L C 1.723 178.755 176.870 0.269 0.000 1.105 121 L CA 1.096 55.983 54.840 0.077 0.000 0.775 121 L CB -0.617 41.391 42.059 -0.085 0.000 0.913 121 L HN 0.345 nan 8.230 nan 0.000 0.440 122 F N -0.478 119.710 119.950 0.397 0.000 2.471 122 F HA 0.206 4.733 4.527 -0.000 0.000 0.353 122 F C 0.394 176.432 175.800 0.397 0.000 1.113 122 F CA -0.683 57.532 58.000 0.359 0.000 1.262 122 F CB 0.480 39.579 39.000 0.165 0.000 1.146 122 F HN -0.214 nan 8.300 nan 0.000 0.578 123 L N 4.640 126.202 121.223 0.565 0.000 2.272 123 L HA 0.536 4.876 4.340 -0.001 0.000 0.289 123 L C -0.884 176.115 176.870 0.215 0.000 1.032 123 L CA -0.464 54.565 54.840 0.315 0.000 0.810 123 L CB 1.038 43.220 42.059 0.204 0.000 1.205 123 L HN 0.315 nan 8.230 nan 0.000 0.422 124 V N 4.939 124.923 119.914 0.117 0.000 2.439 124 V HA 0.818 4.937 4.120 -0.001 0.000 0.282 124 V C 0.255 176.369 176.094 0.033 0.000 1.039 124 V CA -0.224 62.099 62.300 0.039 0.000 0.913 124 V CB 1.203 33.013 31.823 -0.021 0.000 0.983 124 V HN 0.965 nan 8.190 nan 0.000 0.460 125 A N 4.859 127.677 122.820 -0.005 0.000 2.375 125 A HA 0.758 5.078 4.320 -0.001 0.000 0.291 125 A C -0.910 176.567 177.584 -0.179 0.000 1.160 125 A CA -0.456 51.525 52.037 -0.094 0.000 0.747 125 A CB 1.308 20.348 19.000 0.066 0.000 1.170 125 A HN 0.611 nan 8.150 nan 0.000 0.458 126 V N 3.205 122.975 119.914 -0.240 0.000 2.407 126 V HA 0.222 4.341 4.120 -0.001 0.000 0.278 126 V C 0.492 176.466 176.094 -0.200 0.000 1.037 126 V CA -0.997 61.167 62.300 -0.226 0.000 0.900 126 V CB 1.338 33.002 31.823 -0.266 0.000 0.983 126 V HN 0.890 nan 8.190 nan 0.000 0.459 127 N N 7.579 126.113 118.700 -0.277 0.000 2.440 127 N HA 0.082 4.821 4.740 -0.001 0.000 0.265 127 N C -1.349 174.001 175.510 -0.267 0.000 1.239 127 N CA -1.395 51.455 53.050 -0.333 0.000 0.909 127 N CB 1.500 39.649 38.487 -0.563 0.000 1.066 127 N HN 0.379 nan 8.380 nan 0.000 0.474 128 P HA 0.044 nan 4.420 nan 0.000 0.245 128 P C -0.129 177.204 177.300 0.056 0.000 1.206 128 P CA 0.251 63.313 63.100 -0.064 0.000 0.781 128 P CB 0.008 31.605 31.700 -0.172 0.000 0.994 129 F N -0.151 119.820 119.950 0.035 0.000 3.093 129 F HA -0.281 4.246 4.527 -0.000 0.000 0.287 129 F C 0.630 176.428 175.800 -0.003 0.000 0.882 129 F CA 0.373 58.386 58.000 0.021 0.000 1.063 129 F CB -1.553 37.472 39.000 0.043 0.000 1.097 129 F HN 0.188 nan 8.300 nan 0.000 0.604 130 K N -0.963 119.522 120.400 0.141 0.000 2.615 130 K HA 0.678 4.998 4.320 -0.001 0.000 0.291 130 K C -1.070 175.544 176.600 0.023 0.000 1.017 130 K CA -1.357 54.968 56.287 0.062 0.000 0.882 130 K CB 1.371 33.886 32.500 0.026 0.000 1.522 130 K HN 0.047 nan 8.250 nan 0.000 0.412 131 R N 1.110 121.614 120.500 0.007 0.000 2.308 131 R HA 0.463 4.803 4.340 -0.001 0.000 0.305 131 R C -0.443 175.814 176.300 -0.072 0.000 1.053 131 R CA -0.459 55.641 56.100 -0.001 0.000 0.957 131 R CB 0.578 30.885 30.300 0.012 0.000 1.022 131 R HN 0.437 nan 8.270 nan 0.000 0.461 132 I N 4.336 124.845 120.570 -0.102 0.000 2.433 132 I HA 0.258 4.427 4.170 -0.001 0.000 0.292 132 I C -1.760 174.159 176.117 -0.330 0.000 1.001 132 I CA -2.403 58.709 61.300 -0.313 0.000 1.119 132 I CB 2.427 40.230 38.000 -0.328 0.000 1.289 132 I HN 0.421 nan 8.210 nan 0.000 0.438 133 P HA 0.137 nan 4.420 nan 0.000 0.226 133 P C 0.278 177.437 177.300 -0.235 0.000 1.783 133 P CA 0.288 63.226 63.100 -0.269 0.000 0.980 133 P CB -0.489 31.090 31.700 -0.202 0.000 1.967 134 I N -3.781 116.564 120.570 -0.375 0.000 3.856 134 I HA 0.297 4.467 4.170 -0.001 0.000 0.330 134 I C -0.304 175.559 176.117 -0.423 0.000 1.546 134 I CA -0.644 60.449 61.300 -0.346 0.000 1.132 134 I CB -0.143 37.603 38.000 -0.424 0.000 1.157 134 I HN -0.149 nan 8.210 nan 0.000 0.440 135 Y N 1.385 121.779 120.300 0.156 0.000 2.719 135 Y HA 0.255 4.805 4.550 -0.001 0.000 0.251 135 Y C 1.379 177.488 175.900 0.347 0.000 1.159 135 Y CA -0.724 57.547 58.100 0.286 0.000 1.166 135 Y CB 0.321 38.899 38.460 0.196 0.000 1.219 135 Y HN 0.202 nan 8.280 nan 0.000 0.551 136 T N -2.992 111.772 114.554 0.350 0.000 2.788 136 T HA 0.015 4.365 4.350 -0.001 0.000 0.287 136 T C 1.252 176.101 174.700 0.248 0.000 1.007 136 T CA -0.374 61.878 62.100 0.253 0.000 1.005 136 T CB 1.210 70.185 68.868 0.178 0.000 1.012 136 T HN 0.188 nan 8.240 nan 0.000 0.530 137 Q N -0.024 119.870 119.800 0.157 0.000 2.135 137 Q HA -0.151 4.189 4.340 -0.001 0.000 0.204 137 Q C 2.130 178.198 176.000 0.114 0.000 0.981 137 Q CA 1.882 57.747 55.803 0.103 0.000 0.856 137 Q CB -0.452 28.322 28.738 0.060 0.000 0.902 137 Q HN 0.836 nan 8.270 nan 0.000 0.425 138 E N -1.003 119.274 120.200 0.129 0.000 2.110 138 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 138 E C 1.645 178.349 176.600 0.172 0.000 0.988 138 E CA 1.177 57.649 56.400 0.121 0.000 0.804 138 E CB 0.051 29.819 29.700 0.113 0.000 0.745 138 E HN 0.433 nan 8.360 nan 0.000 0.458 139 M N 0.099 119.857 119.600 0.264 0.000 2.156 139 M HA -0.113 4.367 4.480 -0.001 0.000 0.264 139 M C 2.414 179.015 176.300 0.503 0.000 1.067 139 M CA 0.712 56.256 55.300 0.407 0.000 1.131 139 M CB -0.742 32.134 32.600 0.460 0.000 1.368 139 M HN 0.022 nan 8.290 nan 0.000 0.416 140 V N 1.075 121.202 119.914 0.354 0.000 2.287 140 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 140 V C 1.903 178.108 176.094 0.184 0.000 1.053 140 V CA 1.988 64.383 62.300 0.159 0.000 1.027 140 V CB -0.844 30.905 31.823 -0.124 0.000 0.646 140 V HN 0.356 nan 8.190 nan 0.000 0.447 141 D N -0.147 120.317 120.400 0.107 0.000 2.178 141 D HA -0.124 4.516 4.640 -0.001 0.000 0.201 141 D C 2.019 178.342 176.300 0.038 0.000 0.980 141 D CA 1.257 55.289 54.000 0.053 0.000 0.842 141 D CB -0.204 40.613 40.800 0.027 0.000 0.948 141 D HN 0.425 nan 8.370 nan 0.000 0.472 142 I N -0.308 120.279 120.570 0.029 0.000 2.315 142 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 142 I C 1.769 177.729 176.117 -0.262 0.000 1.117 142 I CA 0.800 61.992 61.300 -0.181 0.000 1.404 142 I CB -0.150 37.654 38.000 -0.325 0.000 1.071 142 I HN -0.109 nan 8.210 nan 0.000 0.419 143 F N 0.853 120.845 119.950 0.069 0.000 2.615 143 F HA 0.055 4.581 4.527 -0.001 0.000 0.297 143 F C 1.347 177.223 175.800 0.127 0.000 1.124 143 F CA 0.299 58.352 58.000 0.088 0.000 1.451 143 F CB -0.257 38.791 39.000 0.079 0.000 1.103 143 F HN -0.193 nan 8.300 nan 0.000 0.569 144 K N 0.638 121.192 120.400 0.257 0.000 2.437 144 K HA 0.106 4.426 4.320 -0.001 0.000 0.277 144 K C 1.245 177.922 176.600 0.129 0.000 1.073 144 K CA 0.920 57.327 56.287 0.199 0.000 1.105 144 K CB -0.211 32.339 32.500 0.084 0.000 0.881 144 K HN 0.420 nan 8.250 nan 0.000 0.475 145 G N 3.400 112.295 108.800 0.158 0.000 2.196 145 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.268 145 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.268 145 G C -0.136 174.808 174.900 0.073 0.000 0.975 145 G CA 0.117 45.278 45.100 0.101 0.000 0.648 145 G HN 0.532 nan 8.290 nan 0.000 0.538 146 R N 0.463 121.013 120.500 0.084 0.000 2.410 146 R HA 0.493 4.832 4.340 -0.001 0.000 0.288 146 R C 0.962 177.312 176.300 0.083 0.000 1.051 146 R CA -0.603 55.528 56.100 0.051 0.000 1.021 146 R CB 0.530 30.828 30.300 -0.004 0.000 1.032 146 R HN 0.436 nan 8.270 nan 0.000 0.481 147 R N 1.113 121.647 120.500 0.058 0.000 2.679 147 R HA 0.125 4.465 4.340 -0.001 0.000 0.269 147 R C 1.569 177.921 176.300 0.086 0.000 1.076 147 R CA -0.372 55.765 56.100 0.062 0.000 1.160 147 R CB 0.699 31.020 30.300 0.035 0.000 1.054 147 R HN 0.602 nan 8.270 nan 0.000 0.507 148 R N 1.700 122.246 120.500 0.078 0.000 2.117 148 R HA -0.206 4.134 4.340 -0.001 0.000 0.243 148 R C 1.184 177.531 176.300 0.078 0.000 1.143 148 R CA 2.358 58.510 56.100 0.087 0.000 0.968 148 R CB -0.196 30.071 30.300 -0.054 0.000 0.863 148 R HN 0.692 nan 8.270 nan 0.000 0.444 149 N N 0.063 118.783 118.700 0.033 0.000 2.461 149 N HA -0.089 4.651 4.740 -0.001 0.000 0.188 149 N C 0.328 175.870 175.510 0.054 0.000 1.134 149 N CA 0.764 53.837 53.050 0.039 0.000 0.878 149 N CB 0.227 38.721 38.487 0.012 0.000 0.972 149 N HN 0.482 nan 8.380 nan 0.000 0.456 150 E N -0.416 119.817 120.200 0.055 0.000 2.472 150 E HA 0.105 4.455 4.350 -0.001 0.000 0.196 150 E C -0.001 176.607 176.600 0.013 0.000 1.033 150 E CA 0.015 56.431 56.400 0.026 0.000 0.886 150 E CB 0.721 30.422 29.700 0.003 0.000 0.944 150 E HN 0.365 nan 8.360 nan 0.000 0.492 151 V N -3.101 116.862 119.914 0.082 0.000 3.206 151 V HA 0.756 4.875 4.120 -0.001 0.000 0.305 151 V C -0.274 175.976 176.094 0.261 0.000 1.257 151 V CA -1.378 60.987 62.300 0.108 0.000 1.057 151 V CB 1.247 33.029 31.823 -0.069 0.000 1.075 151 V HN -0.046 nan 8.190 nan 0.000 0.443 152 A N 1.037 124.047 122.820 0.316 0.000 2.386 152 A HA 0.717 5.036 4.320 -0.001 0.000 0.246 152 A C -2.403 175.383 177.584 0.336 0.000 1.089 152 A CA -1.095 51.088 52.037 0.244 0.000 0.790 152 A CB -0.804 18.213 19.000 0.028 0.000 1.042 152 A HN 0.822 nan 8.150 nan 0.000 0.497 153 P HA 0.349 nan 4.420 nan 0.000 0.268 153 P C -0.630 176.587 177.300 -0.138 0.000 1.205 153 P CA 0.927 63.927 63.100 -0.167 0.000 0.771 153 P CB 0.338 31.797 31.700 -0.403 0.000 0.858 154 H N 1.093 119.839 119.070 -0.540 0.000 3.081 154 H HA 0.156 4.712 4.556 -0.000 0.000 0.322 154 H C 0.355 175.046 175.328 -1.061 0.000 1.266 154 H CA -0.629 54.772 56.048 -1.079 0.000 1.279 154 H CB 0.606 29.721 29.762 -1.079 0.000 1.954 154 H HN 0.204 nan 8.280 nan 0.000 0.530 155 I N 2.778 122.637 120.570 -1.184 0.000 2.454 155 I HA -0.152 4.018 4.170 -0.001 0.000 0.254 155 I C 0.925 176.931 176.117 -0.185 0.000 1.156 155 I CA 1.429 62.440 61.300 -0.482 0.000 1.433 155 I CB -0.391 37.434 38.000 -0.293 0.000 1.082 155 I HN 0.584 nan 8.210 nan 0.000 0.432 156 F N 0.864 120.604 119.950 -0.350 0.000 2.293 156 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 156 F C 2.554 177.879 175.800 -0.791 0.000 1.086 156 F CA 0.648 58.084 58.000 -0.940 0.000 1.375 156 F CB -1.767 36.434 39.000 -1.330 0.000 1.045 156 F HN 0.163 nan 8.300 nan 0.000 0.516 157 A N 0.258 122.882 122.820 -0.325 0.000 1.898 157 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 157 A C 2.310 179.919 177.584 0.041 0.000 1.181 157 A CA 1.124 53.191 52.037 0.051 0.000 0.620 157 A CB -0.756 18.417 19.000 0.288 0.000 0.819 157 A HN 0.197 nan 8.150 nan 0.000 0.442 158 I N 0.323 120.902 120.570 0.014 0.000 2.252 158 I HA -0.164 4.006 4.170 -0.001 0.000 0.245 158 I C 2.495 178.566 176.117 -0.077 0.000 1.102 158 I CA 1.680 63.005 61.300 0.042 0.000 1.385 158 I CB -1.178 36.870 38.000 0.080 0.000 1.064 158 I HN 0.250 nan 8.210 nan 0.000 0.414 159 S N 0.253 115.887 115.700 -0.110 0.000 2.368 159 S HA -0.220 4.250 4.470 -0.001 0.000 0.224 159 S C 1.690 176.296 174.600 0.009 0.000 1.029 159 S CA 1.594 59.751 58.200 -0.073 0.000 0.988 159 S CB -0.321 62.834 63.200 -0.075 0.000 0.838 159 S HN 0.465 nan 8.310 nan 0.000 0.462 160 D N 0.809 121.192 120.400 -0.029 0.000 2.117 160 D HA -0.070 4.570 4.640 -0.001 0.000 0.198 160 D C 1.809 178.192 176.300 0.138 0.000 0.982 160 D CA 0.811 54.931 54.000 0.201 0.000 0.828 160 D CB -0.020 40.916 40.800 0.225 0.000 0.967 160 D HN 0.111 nan 8.370 nan 0.000 0.464 161 V N 0.657 120.605 119.914 0.056 0.000 2.343 161 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 161 V C 2.447 178.523 176.094 -0.031 0.000 1.051 161 V CA 1.791 64.113 62.300 0.037 0.000 1.036 161 V CB -0.788 31.077 31.823 0.070 0.000 0.654 161 V HN 0.331 nan 8.190 nan 0.000 0.451 162 A N -0.995 121.701 122.820 -0.207 0.000 1.902 162 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 162 A C 2.172 179.708 177.584 -0.080 0.000 1.181 162 A CA 2.050 53.898 52.037 -0.314 0.000 0.623 162 A CB -0.753 17.909 19.000 -0.563 0.000 0.818 162 A HN 0.620 nan 8.150 nan 0.000 0.443 163 Y N 0.764 120.973 120.300 -0.152 0.000 2.181 163 Y HA -0.176 4.374 4.550 0.000 0.000 0.288 163 Y C 2.426 178.203 175.900 -0.206 0.000 1.146 163 Y CA 1.853 59.830 58.100 -0.205 0.000 1.164 163 Y CB -0.142 38.250 38.460 -0.112 0.000 0.982 163 Y HN 0.193 nan 8.280 nan 0.000 0.515 164 R N -0.337 120.060 120.500 -0.172 0.000 2.075 164 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 164 R C 2.393 178.546 176.300 -0.245 0.000 1.126 164 R CA 1.295 57.244 56.100 -0.252 0.000 0.963 164 R CB -1.259 28.990 30.300 -0.085 0.000 0.858 164 R HN 0.293 nan 8.270 nan 0.000 0.435 165 S N 1.485 117.097 115.700 -0.147 0.000 2.382 165 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 165 S C 1.872 176.345 174.600 -0.212 0.000 1.027 165 S CA 1.231 59.362 58.200 -0.115 0.000 0.991 165 S CB -0.178 63.028 63.200 0.009 0.000 0.823 165 S HN 0.304 nan 8.310 nan 0.000 0.469 166 M N 1.097 120.522 119.600 -0.293 0.000 2.086 166 M HA -0.115 4.365 4.480 -0.001 0.000 0.261 166 M C 1.746 177.685 176.300 -0.602 0.000 1.067 166 M CA 1.571 56.613 55.300 -0.430 0.000 1.116 166 M CB -0.299 32.006 32.600 -0.492 0.000 1.348 166 M HN 0.277 nan 8.290 nan 0.000 0.407 167 L N -0.170 120.673 121.223 -0.633 0.000 2.005 167 L HA -0.233 4.106 4.340 -0.001 0.000 0.207 167 L C 2.094 178.728 176.870 -0.392 0.000 1.072 167 L CA 1.246 55.733 54.840 -0.588 0.000 0.744 167 L CB -1.129 40.558 42.059 -0.620 0.000 0.895 167 L HN 0.273 nan 8.230 nan 0.000 0.433 168 D N 0.046 120.264 120.400 -0.303 0.000 2.117 168 D HA -0.160 4.480 4.640 -0.001 0.000 0.197 168 D C 1.501 177.701 176.300 -0.167 0.000 0.987 168 D CA 1.263 55.145 54.000 -0.197 0.000 0.829 168 D CB -0.201 40.511 40.800 -0.146 0.000 0.961 168 D HN 0.339 nan 8.370 nan 0.000 0.460 169 D N -0.247 120.043 120.400 -0.183 0.000 2.360 169 D HA 0.076 4.716 4.640 -0.001 0.000 0.210 169 D C 0.106 176.318 176.300 -0.147 0.000 1.047 169 D CA -0.090 53.830 54.000 -0.133 0.000 0.854 169 D CB 0.305 41.046 40.800 -0.098 0.000 0.936 169 D HN 0.110 nan 8.370 nan 0.000 0.514 170 R N 0.835 121.172 120.500 -0.271 0.000 3.251 170 R HA -0.220 4.119 4.340 -0.001 0.000 0.249 170 R C 0.058 176.299 176.300 -0.098 0.000 0.949 170 R CA 0.463 56.383 56.100 -0.300 0.000 0.645 170 R CB -1.906 28.387 30.300 -0.012 0.000 1.065 170 R HN 0.315 nan 8.270 nan 0.000 0.452 171 Q N 0.514 120.201 119.800 -0.189 0.000 2.359 171 Q HA 0.316 4.656 4.340 -0.001 0.000 0.274 171 Q C -0.881 175.041 176.000 -0.129 0.000 1.074 171 Q CA -0.976 54.786 55.803 -0.070 0.000 0.810 171 Q CB 1.482 30.184 28.738 -0.059 0.000 1.342 171 Q HN 0.148 nan 8.270 nan 0.000 0.427 172 N N 2.322 120.925 118.700 -0.161 0.000 2.482 172 N HA 0.157 4.896 4.740 -0.001 0.000 0.260 172 N C -0.788 174.593 175.510 -0.215 0.000 1.236 172 N CA 0.145 52.948 53.050 -0.411 0.000 0.938 172 N CB 0.781 38.642 38.487 -1.044 0.000 1.128 172 N HN 0.513 nan 8.380 nan 0.000 0.448 173 Q N -0.054 119.671 119.800 -0.124 0.000 2.399 173 Q HA 0.554 4.894 4.340 -0.001 0.000 0.276 173 Q C -0.635 175.526 176.000 0.267 0.000 1.098 173 Q CA -0.772 55.095 55.803 0.106 0.000 0.827 173 Q CB 2.014 30.850 28.738 0.164 0.000 1.386 173 Q HN 0.712 nan 8.270 nan 0.000 0.443 174 S N 0.180 116.065 115.700 0.308 0.000 2.570 174 S HA 0.788 5.258 4.470 -0.001 0.000 0.286 174 S C -0.825 173.932 174.600 0.262 0.000 1.099 174 S CA -0.875 57.554 58.200 0.382 0.000 0.913 174 S CB 1.610 65.048 63.200 0.396 0.000 1.085 174 S HN 0.547 nan 8.310 nan 0.000 0.480 175 L N 2.205 123.564 121.223 0.227 0.000 2.406 175 L HA 0.554 4.894 4.340 -0.001 0.000 0.270 175 L C -2.039 174.910 176.870 0.132 0.000 0.982 175 L CA -0.973 53.957 54.840 0.149 0.000 0.843 175 L CB 1.077 43.223 42.059 0.145 0.000 1.225 175 L HN 0.688 nan 8.230 nan 0.000 0.412 176 L N 6.387 127.640 121.223 0.050 0.000 2.257 176 L HA 0.490 4.830 4.340 -0.001 0.000 0.290 176 L C -0.250 176.746 176.870 0.209 0.000 1.044 176 L CA 0.245 55.168 54.840 0.138 0.000 0.810 176 L CB 1.308 43.466 42.059 0.165 0.000 1.193 176 L HN 0.501 nan 8.230 nan 0.000 0.425 177 I N 2.801 123.477 120.570 0.177 0.000 2.433 177 I HA 0.588 4.758 4.170 -0.001 0.000 0.292 177 I C 0.037 176.232 176.117 0.130 0.000 1.001 177 I CA -0.087 61.311 61.300 0.163 0.000 1.119 177 I CB 1.678 39.756 38.000 0.130 0.000 1.289 177 I HN 0.742 nan 8.210 nan 0.000 0.438 178 T N 2.577 117.199 114.554 0.114 0.000 2.950 178 T HA 0.946 5.296 4.350 -0.001 0.000 0.288 178 T C -0.174 174.552 174.700 0.043 0.000 1.035 178 T CA -0.560 61.584 62.100 0.074 0.000 1.028 178 T CB 1.833 70.735 68.868 0.057 0.000 1.109 178 T HN 1.164 nan 8.240 nan 0.000 0.514 179 G N 0.861 109.681 108.800 0.033 0.000 2.350 179 G HA2 0.282 4.242 3.960 -0.001 0.000 0.274 179 G HA3 0.282 4.242 3.960 -0.001 0.000 0.274 179 G C -1.089 173.831 174.900 0.034 0.000 1.621 179 G CA -1.023 44.089 45.100 0.021 0.000 0.935 179 G HN 0.849 nan 8.290 nan 0.000 0.694 180 E N 0.628 120.849 120.200 0.034 0.000 2.369 180 E HA 0.503 4.853 4.350 -0.001 0.000 0.255 180 E C 0.898 177.538 176.600 0.066 0.000 1.172 180 E CA -0.268 56.163 56.400 0.052 0.000 0.932 180 E CB 0.893 30.624 29.700 0.052 0.000 1.040 180 E HN 0.486 nan 8.360 nan 0.000 0.454 181 S N -0.055 115.695 115.700 0.085 0.000 2.546 181 S HA 0.237 4.706 4.470 -0.001 0.000 0.290 181 S C 0.996 175.660 174.600 0.107 0.000 1.290 181 S CA 0.953 59.212 58.200 0.097 0.000 1.069 181 S CB -0.260 63.007 63.200 0.111 0.000 0.846 181 S HN 0.771 nan 8.310 nan 0.000 0.495 182 G N 3.178 112.053 108.800 0.126 0.000 2.213 182 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.226 182 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.226 182 G C 0.861 175.855 174.900 0.157 0.000 0.992 182 G CA 0.257 45.478 45.100 0.203 0.000 0.632 182 G HN 1.381 nan 8.290 nan 0.000 0.511 183 A N 0.207 123.065 122.820 0.063 0.000 2.169 183 A HA 0.546 4.866 4.320 -0.001 0.000 0.212 183 A C 2.564 180.122 177.584 -0.044 0.000 1.153 183 A CA 2.091 54.116 52.037 -0.020 0.000 0.756 183 A CB -0.468 18.523 19.000 -0.014 0.000 0.813 183 A HN 2.476 nan 8.150 nan 0.000 0.471 184 G N -0.385 108.420 108.800 0.007 0.000 2.131 184 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.223 184 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.223 184 G C 0.881 175.787 174.900 0.009 0.000 0.990 184 G CA 0.839 45.938 45.100 -0.002 0.000 0.671 184 G HN 0.597 nan 8.290 nan 0.000 0.521 185 K N -0.156 120.260 120.400 0.026 0.000 2.057 185 K HA -0.047 4.273 4.320 -0.001 0.000 0.206 185 K C 2.496 179.120 176.600 0.041 0.000 1.050 185 K CA 1.932 58.242 56.287 0.038 0.000 0.935 185 K CB -0.308 32.219 32.500 0.045 0.000 0.715 185 K HN 0.307 nan 8.250 nan 0.000 0.439 186 T N 1.544 116.124 114.554 0.043 0.000 2.708 186 T HA -0.106 4.244 4.350 -0.001 0.000 0.266 186 T C 1.578 176.290 174.700 0.021 0.000 1.037 186 T CA 1.203 63.329 62.100 0.043 0.000 1.146 186 T CB -0.149 68.751 68.868 0.054 0.000 0.865 186 T HN 0.273 nan 8.240 nan 0.000 0.435 187 E N 1.294 121.497 120.200 0.005 0.000 2.077 187 E HA -0.068 4.282 4.350 -0.001 0.000 0.193 187 E C 2.297 178.864 176.600 -0.056 0.000 0.989 187 E CA 0.711 57.088 56.400 -0.038 0.000 0.800 187 E CB -0.384 29.282 29.700 -0.056 0.000 0.746 187 E HN 0.434 nan 8.360 nan 0.000 0.452 188 N N 0.138 118.829 118.700 -0.016 0.000 2.188 188 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 188 N C 1.774 177.304 175.510 0.033 0.000 1.018 188 N CA 1.272 54.330 53.050 0.012 0.000 0.858 188 N CB -0.162 38.366 38.487 0.067 0.000 0.989 188 N HN 0.132 nan 8.380 nan 0.000 0.426 189 T N 1.345 115.923 114.554 0.039 0.000 2.746 189 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 189 T C 1.903 176.629 174.700 0.043 0.000 1.039 189 T CA 1.116 63.246 62.100 0.051 0.000 1.142 189 T CB -0.021 68.878 68.868 0.051 0.000 0.866 189 T HN 0.342 nan 8.240 nan 0.000 0.444 190 K N 0.882 121.294 120.400 0.021 0.000 2.097 190 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 190 K C 2.083 178.704 176.600 0.036 0.000 1.049 190 K CA 1.085 57.381 56.287 0.015 0.000 0.933 190 K CB 0.057 32.550 32.500 -0.012 0.000 0.717 190 K HN 0.046 nan 8.250 nan 0.000 0.442 191 K N 0.593 121.009 120.400 0.027 0.000 2.097 191 K HA -0.063 4.257 4.320 -0.001 0.000 0.205 191 K C 2.146 178.905 176.600 0.264 0.000 1.050 191 K CA 0.862 57.230 56.287 0.134 0.000 0.938 191 K CB -0.379 32.133 32.500 0.021 0.000 0.718 191 K HN 0.059 nan 8.250 nan 0.000 0.442 192 V N 1.957 121.976 119.914 0.176 0.000 2.295 192 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 192 V C 2.376 178.570 176.094 0.168 0.000 1.049 192 V CA 1.568 63.978 62.300 0.184 0.000 1.024 192 V CB -0.401 31.495 31.823 0.121 0.000 0.648 192 V HN 0.182 nan 8.190 nan 0.000 0.447 193 I N -0.468 120.167 120.570 0.107 0.000 2.226 193 I HA -0.314 3.856 4.170 -0.001 0.000 0.245 193 I C 2.702 178.848 176.117 0.048 0.000 1.100 193 I CA 1.643 62.981 61.300 0.064 0.000 1.374 193 I CB -0.428 37.589 38.000 0.028 0.000 1.057 193 I HN 0.388 nan 8.210 nan 0.000 0.413 194 Q N -0.419 119.423 119.800 0.070 0.000 2.084 194 Q HA -0.253 4.087 4.340 -0.001 0.000 0.202 194 Q C 2.183 178.175 176.000 -0.014 0.000 0.978 194 Q CA 1.835 57.662 55.803 0.040 0.000 0.844 194 Q CB -0.290 28.497 28.738 0.082 0.000 0.898 194 Q HN 0.528 nan 8.270 nan 0.000 0.426 195 Y N 1.341 121.587 120.300 -0.089 0.000 2.114 195 Y HA -0.226 4.324 4.550 -0.001 0.000 0.284 195 Y C 1.910 177.686 175.900 -0.206 0.000 1.143 195 Y CA 1.418 59.351 58.100 -0.278 0.000 1.135 195 Y CB -0.214 38.057 38.460 -0.315 0.000 0.980 195 Y HN -0.003 nan 8.280 nan 0.000 0.499 196 L N -0.355 120.854 121.223 -0.024 0.000 2.042 196 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 196 L C 2.744 179.515 176.870 -0.164 0.000 1.076 196 L CA 1.254 56.034 54.840 -0.099 0.000 0.749 196 L CB -1.023 41.109 42.059 0.121 0.000 0.893 196 L HN 0.342 nan 8.230 nan 0.000 0.432 197 A N -1.135 121.616 122.820 -0.116 0.000 1.972 197 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 197 A C 2.541 180.037 177.584 -0.146 0.000 1.169 197 A CA 1.995 53.968 52.037 -0.107 0.000 0.635 197 A CB -0.507 18.447 19.000 -0.077 0.000 0.810 197 A HN 0.383 nan 8.150 nan 0.000 0.446 198 S N -0.478 115.080 115.700 -0.236 0.000 2.377 198 S HA -0.097 4.373 4.470 -0.001 0.000 0.223 198 S C 1.912 176.325 174.600 -0.312 0.000 1.030 198 S CA 1.679 59.719 58.200 -0.267 0.000 0.970 198 S CB -0.514 62.483 63.200 -0.338 0.000 0.830 198 S HN 0.921 nan 8.310 nan 0.000 0.473 199 V N -0.890 118.730 119.914 -0.490 0.000 3.235 199 V HA 0.555 4.675 4.120 -0.001 0.000 0.259 199 V C 1.537 177.460 176.094 -0.285 0.000 1.133 199 V CA 1.012 63.059 62.300 -0.422 0.000 1.128 199 V CB -0.330 31.142 31.823 -0.585 0.000 0.757 199 V HN 0.466 nan 8.190 nan 0.000 0.469 200 A N 0.509 123.172 122.820 -0.261 0.000 2.564 200 A HA 0.706 5.026 4.320 -0.001 0.000 0.279 200 A C 1.143 178.853 177.584 0.211 0.000 1.232 200 A CA 0.342 52.385 52.037 0.009 0.000 0.950 200 A CB -0.610 18.427 19.000 0.062 0.000 1.138 200 A HN 0.696 nan 8.150 nan 0.000 0.526 201 G N -0.562 108.288 108.800 0.084 0.000 2.467 201 G HA2 0.436 4.395 3.960 -0.001 0.000 0.257 201 G HA3 0.436 4.395 3.960 -0.001 0.000 0.257 201 G C 0.086 175.034 174.900 0.079 0.000 1.227 201 G CA -0.454 44.681 45.100 0.059 0.000 0.835 201 G HN 0.212 nan 8.290 nan 0.000 0.556 202 R N 0.700 121.188 120.500 -0.020 0.000 2.795 202 R HA 0.172 4.512 4.340 -0.001 0.000 0.320 202 R C 0.966 177.189 176.300 -0.128 0.000 1.223 202 R CA -0.519 55.470 56.100 -0.186 0.000 1.305 202 R CB -0.651 29.427 30.300 -0.370 0.000 1.318 202 R HN 0.562 nan 8.270 nan 0.000 0.636 203 N N -0.249 118.404 118.700 -0.079 0.000 2.494 203 N HA -0.059 4.681 4.740 -0.001 0.000 0.182 203 N C -0.242 175.232 175.510 -0.060 0.000 1.076 203 N CA 0.335 53.347 53.050 -0.062 0.000 0.908 203 N CB 0.331 38.790 38.487 -0.047 0.000 0.967 203 N HN 0.318 nan 8.380 nan 0.000 0.449 204 Q N 0.336 120.095 119.800 -0.068 0.000 2.313 204 Q HA 0.315 4.655 4.340 -0.001 0.000 0.266 204 Q C 0.832 176.796 176.000 -0.060 0.000 0.989 204 Q CA 0.245 56.014 55.803 -0.056 0.000 0.890 204 Q CB 1.491 30.196 28.738 -0.054 0.000 1.200 204 Q HN 0.313 nan 8.270 nan 0.000 0.396 205 A N 4.038 126.831 122.820 -0.046 0.000 1.303 205 A HA -0.313 4.007 4.320 -0.001 0.000 0.208 205 A C 1.198 178.759 177.584 -0.039 0.000 0.554 205 A CA 1.002 53.014 52.037 -0.042 0.000 1.109 205 A CB -1.717 17.253 19.000 -0.049 0.000 1.465 205 A HN 0.678 nan 8.150 nan 0.000 0.722 206 N N 0.923 119.596 118.700 -0.045 0.000 2.422 206 N HA 0.414 5.154 4.740 -0.001 0.000 0.181 206 N C 1.096 176.583 175.510 -0.038 0.000 1.080 206 N CA 2.180 55.206 53.050 -0.041 0.000 0.893 206 N CB 0.455 38.916 38.487 -0.045 0.000 0.973 206 N HN 2.348 nan 8.380 nan 0.000 0.456 207 G N -0.725 108.052 108.800 -0.039 0.000 2.796 207 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.226 207 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.226 207 G C 0.253 175.130 174.900 -0.038 0.000 1.381 207 G CA 0.065 45.144 45.100 -0.035 0.000 0.867 207 G HN 0.684 nan 8.290 nan 0.000 0.552 208 S N 0.273 115.952 115.700 -0.036 0.000 2.577 208 S HA 0.495 4.964 4.470 -0.001 0.000 0.219 208 S C 1.987 176.564 174.600 -0.038 0.000 0.962 208 S CA 0.873 59.050 58.200 -0.038 0.000 0.921 208 S CB 0.012 63.189 63.200 -0.038 0.000 0.789 208 S HN 2.750 nan 8.310 nan 0.000 0.497 209 G N 1.970 110.749 108.800 -0.035 0.000 2.581 209 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.291 209 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.291 209 G C 0.521 175.399 174.900 -0.036 0.000 1.277 209 G CA 0.888 45.967 45.100 -0.035 0.000 0.959 209 G HN 1.422 nan 8.290 nan 0.000 0.554 210 V N -2.607 117.283 119.914 -0.039 0.000 3.253 210 V HA 0.604 4.724 4.120 -0.001 0.000 0.320 210 V C 2.070 178.135 176.094 -0.048 0.000 1.442 210 V CA 1.185 63.460 62.300 -0.041 0.000 1.097 210 V CB 0.459 32.257 31.823 -0.040 0.000 1.008 210 V HN 1.187 nan 8.190 nan 0.000 0.463 211 L N 1.690 122.882 121.223 -0.052 0.000 1.989 211 L HA -0.093 4.246 4.340 -0.001 0.000 0.211 211 L C 2.466 179.301 176.870 -0.058 0.000 1.071 211 L CA 2.876 57.680 54.840 -0.060 0.000 0.749 211 L CB -0.549 41.469 42.059 -0.069 0.000 0.890 211 L HN 0.619 nan 8.230 nan 0.000 0.431 212 E N -0.997 119.172 120.200 -0.053 0.000 2.070 212 E HA -0.348 4.002 4.350 -0.001 0.000 0.197 212 E C 2.217 178.794 176.600 -0.039 0.000 1.004 212 E CA 1.750 58.124 56.400 -0.044 0.000 0.805 212 E CB -0.337 29.341 29.700 -0.037 0.000 0.744 212 E HN 0.728 nan 8.360 nan 0.000 0.451 213 Q N 0.004 119.781 119.800 -0.039 0.000 2.096 213 Q HA -0.265 4.075 4.340 -0.001 0.000 0.204 213 Q C 2.243 178.214 176.000 -0.049 0.000 0.982 213 Q CA 1.970 57.750 55.803 -0.039 0.000 0.850 213 Q CB -0.014 28.701 28.738 -0.038 0.000 0.901 213 Q HN 0.443 nan 8.270 nan 0.000 0.422 214 Q N 0.060 119.825 119.800 -0.058 0.000 2.084 214 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 214 Q C 2.182 178.141 176.000 -0.068 0.000 0.978 214 Q CA 1.556 57.316 55.803 -0.072 0.000 0.844 214 Q CB -0.105 28.588 28.738 -0.075 0.000 0.898 214 Q HN 0.480 nan 8.270 nan 0.000 0.426 215 I N 0.623 121.158 120.570 -0.058 0.000 2.226 215 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 215 I C 2.132 178.230 176.117 -0.031 0.000 1.100 215 I CA 1.143 62.413 61.300 -0.048 0.000 1.374 215 I CB -0.250 37.722 38.000 -0.046 0.000 1.057 215 I HN 0.208 nan 8.210 nan 0.000 0.413 216 L N -0.163 121.044 121.223 -0.027 0.000 2.093 216 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 216 L C 2.538 179.400 176.870 -0.014 0.000 1.085 216 L CA 0.966 55.798 54.840 -0.012 0.000 0.755 216 L CB -0.588 41.464 42.059 -0.012 0.000 0.904 216 L HN 0.303 nan 8.230 nan 0.000 0.435 217 Q N -0.132 119.645 119.800 -0.038 0.000 2.369 217 Q HA -0.036 4.304 4.340 -0.001 0.000 0.206 217 Q C 2.315 178.277 176.000 -0.063 0.000 0.963 217 Q CA 1.139 56.910 55.803 -0.053 0.000 0.894 217 Q CB -0.134 28.553 28.738 -0.084 0.000 0.965 217 Q HN 0.497 nan 8.270 nan 0.000 0.475 218 A N 1.353 124.139 122.820 -0.057 0.000 2.015 218 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 218 A C 1.802 179.395 177.584 0.016 0.000 1.163 218 A CA 1.086 53.090 52.037 -0.055 0.000 0.646 218 A CB -0.264 18.707 19.000 -0.047 0.000 0.806 218 A HN 0.283 nan 8.150 nan 0.000 0.448 219 N N 0.364 119.091 118.700 0.046 0.000 2.043 219 N HA -0.111 4.629 4.740 -0.001 0.000 0.193 219 N C -0.807 174.787 175.510 0.140 0.000 1.037 219 N CA 1.841 54.956 53.050 0.108 0.000 0.851 219 N CB -1.542 37.000 38.487 0.092 0.000 1.027 219 N HN 0.353 nan 8.380 nan 0.000 0.422 220 P HA -0.060 nan 4.420 nan 0.000 0.218 220 P C 1.643 179.048 177.300 0.175 0.000 1.148 220 P CA 1.012 64.186 63.100 0.124 0.000 0.822 220 P CB -0.004 31.738 31.700 0.070 0.000 0.784 221 I N -0.833 119.819 120.570 0.136 0.000 2.193 221 I HA -0.182 3.988 4.170 -0.001 0.000 0.240 221 I C 2.599 178.901 176.117 0.309 0.000 1.084 221 I CA 1.162 62.591 61.300 0.215 0.000 1.365 221 I CB -0.753 37.268 38.000 0.035 0.000 1.064 221 I HN -0.179 nan 8.210 nan 0.000 0.410 222 L N 0.327 121.659 121.223 0.180 0.000 2.083 222 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 222 L C 2.463 179.584 176.870 0.417 0.000 1.083 222 L CA 1.439 56.396 54.840 0.196 0.000 0.752 222 L CB -0.666 41.515 42.059 0.203 0.000 0.899 222 L HN 0.316 nan 8.230 nan 0.000 0.433 223 E N 0.286 120.740 120.200 0.424 0.000 2.106 223 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 223 E C 2.329 179.207 176.600 0.462 0.000 0.984 223 E CA 1.006 57.689 56.400 0.471 0.000 0.806 223 E CB -0.066 29.862 29.700 0.380 0.000 0.750 223 E HN 0.481 nan 8.360 nan 0.000 0.458 224 A N 0.573 123.625 122.820 0.386 0.000 1.933 224 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 224 A C 1.666 179.326 177.584 0.127 0.000 1.175 224 A CA 1.211 53.406 52.037 0.264 0.000 0.628 224 A CB -0.467 18.602 19.000 0.114 0.000 0.814 224 A HN 0.175 nan 8.150 nan 0.000 0.444 225 F N -1.200 118.897 119.950 0.246 0.000 2.714 225 F HA 0.270 4.797 4.527 -0.000 0.000 0.294 225 F C 2.168 177.957 175.800 -0.017 0.000 1.120 225 F CA 0.612 58.726 58.000 0.191 0.000 1.398 225 F CB 0.177 39.257 39.000 0.133 0.000 1.120 225 F HN 0.271 nan 8.300 nan 0.000 0.589 226 G N -1.286 107.674 108.800 0.267 0.000 3.228 226 G HA2 0.108 4.068 3.960 -0.001 0.000 0.245 226 G HA3 0.108 4.068 3.960 -0.001 0.000 0.245 226 G C 0.035 175.298 174.900 0.605 0.000 1.051 226 G CA -0.077 45.071 45.100 0.081 0.000 0.809 226 G HN 0.032 nan 8.290 nan 0.000 0.531 227 N N 0.339 119.355 118.700 0.526 0.000 2.384 227 N HA 0.807 5.546 4.740 -0.001 0.000 0.301 227 N C -0.484 174.941 175.510 -0.142 0.000 1.133 227 N CA -0.092 53.150 53.050 0.319 0.000 0.853 227 N CB 2.142 40.839 38.487 0.350 0.000 1.241 227 N HN 0.228 nan 8.380 nan 0.000 0.502 228 A N 0.063 122.752 122.820 -0.218 0.000 2.609 228 A HA 0.494 4.814 4.320 -0.001 0.000 0.291 228 A C -1.138 176.396 177.584 -0.083 0.000 1.096 228 A CA -0.781 51.032 52.037 -0.372 0.000 0.684 228 A CB 1.181 19.965 19.000 -0.360 0.000 1.282 228 A HN 0.535 nan 8.150 nan 0.000 0.412 229 K N 1.118 121.509 120.400 -0.015 0.000 2.297 229 K HA 0.468 4.788 4.320 -0.001 0.000 0.286 229 K C 0.166 176.739 176.600 -0.045 0.000 1.053 229 K CA 0.532 56.835 56.287 0.026 0.000 0.940 229 K CB 0.422 32.921 32.500 -0.002 0.000 1.019 229 K HN 0.915 nan 8.250 nan 0.000 0.475 230 T N -0.328 114.220 114.554 -0.010 0.000 2.870 230 T HA 0.163 4.513 4.350 -0.001 0.000 0.277 230 T C 1.334 175.990 174.700 -0.073 0.000 1.000 230 T CA -0.233 61.829 62.100 -0.062 0.000 0.982 230 T CB 1.118 70.021 68.868 0.057 0.000 1.249 230 T HN 0.602 nan 8.240 nan 0.000 0.589 231 T N -1.648 112.798 114.554 -0.180 0.000 3.035 231 T HA 0.081 4.431 4.350 -0.001 0.000 0.268 231 T C 1.642 176.373 174.700 0.051 0.000 1.109 231 T CA 0.391 62.436 62.100 -0.093 0.000 1.119 231 T CB -0.229 68.548 68.868 -0.151 0.000 0.900 231 T HN 0.602 nan 8.240 nan 0.000 0.503 232 R N 0.464 121.077 120.500 0.189 0.000 2.308 232 R HA 0.318 4.658 4.340 -0.001 0.000 0.202 232 R C 0.279 176.657 176.300 0.130 0.000 0.898 232 R CA -0.045 56.172 56.100 0.195 0.000 1.046 232 R CB 0.364 30.832 30.300 0.280 0.000 1.026 232 R HN 0.291 nan 8.270 nan 0.000 0.512 233 N N -0.218 118.556 118.700 0.123 0.000 2.324 233 N HA 0.102 4.842 4.740 -0.001 0.000 0.285 233 N C -0.814 174.750 175.510 0.090 0.000 1.076 233 N CA -0.272 52.838 53.050 0.099 0.000 0.864 233 N CB 1.508 40.059 38.487 0.108 0.000 1.632 233 N HN -0.054 nan 8.380 nan 0.000 0.478 234 N N 0.994 119.741 118.700 0.079 0.000 2.453 234 N HA -0.111 4.628 4.740 -0.001 0.000 0.183 234 N C -0.349 175.259 175.510 0.164 0.000 1.041 234 N CA 0.579 53.678 53.050 0.083 0.000 0.900 234 N CB 0.086 38.600 38.487 0.045 0.000 0.961 234 N HN 0.379 nan 8.380 nan 0.000 0.443 235 N N 0.191 118.998 118.700 0.177 0.000 2.726 235 N HA 0.045 4.785 4.740 -0.001 0.000 0.253 235 N C -1.811 173.830 175.510 0.217 0.000 1.530 235 N CA -0.155 53.062 53.050 0.280 0.000 0.772 235 N CB 0.723 39.346 38.487 0.226 0.000 1.220 235 N HN -0.183 nan 8.380 nan 0.000 0.508 236 S N 0.496 116.304 115.700 0.179 0.000 2.475 236 S HA 0.432 4.902 4.470 -0.001 0.000 0.281 236 S C -0.139 174.564 174.600 0.171 0.000 1.198 236 S CA -0.293 57.996 58.200 0.149 0.000 1.063 236 S CB 0.329 63.610 63.200 0.135 0.000 0.972 236 S HN 0.341 nan 8.310 nan 0.000 0.486 237 S N 4.503 120.287 115.700 0.140 0.000 2.505 237 S HA 0.277 4.747 4.470 -0.001 0.000 0.276 237 S C 0.574 175.266 174.600 0.154 0.000 1.274 237 S CA -0.632 57.647 58.200 0.131 0.000 1.053 237 S CB 0.307 63.453 63.200 -0.089 0.000 0.919 237 S HN 0.603 nan 8.310 nan 0.000 0.490 238 R N 2.684 123.390 120.500 0.343 0.000 2.694 238 R HA 0.291 4.631 4.340 -0.001 0.000 0.334 238 R C -0.465 176.066 176.300 0.385 0.000 1.143 238 R CA -0.091 56.209 56.100 0.333 0.000 1.073 238 R CB -0.986 29.565 30.300 0.418 0.000 1.366 238 R HN 0.676 nan 8.270 nan 0.000 0.577 239 F N -3.656 116.361 119.950 0.112 0.000 2.741 239 F HA 0.775 5.301 4.527 -0.001 0.000 0.313 239 F C -0.497 175.390 175.800 0.145 0.000 1.153 239 F CA -1.603 56.447 58.000 0.083 0.000 0.931 239 F CB 0.871 39.854 39.000 -0.028 0.000 1.335 239 F HN -0.102 nan 8.300 nan 0.000 0.460 240 G N 0.900 109.798 108.800 0.163 0.000 2.432 240 G HA2 0.668 4.628 3.960 -0.001 0.000 0.331 240 G HA3 0.668 4.628 3.960 -0.001 0.000 0.331 240 G C -2.011 173.092 174.900 0.338 0.000 1.170 240 G CA -1.152 43.998 45.100 0.084 0.000 0.943 240 G HN 0.988 nan 8.290 nan 0.000 0.483 241 K N -0.119 120.429 120.400 0.248 0.000 2.502 241 K HA 0.653 4.973 4.320 -0.001 0.000 0.257 241 K C -2.074 174.773 176.600 0.411 0.000 0.938 241 K CA -1.004 55.526 56.287 0.404 0.000 0.819 241 K CB 2.509 35.242 32.500 0.388 0.000 1.333 241 K HN 0.377 nan 8.250 nan 0.000 0.434 242 F N 3.557 123.650 119.950 0.240 0.000 2.496 242 F HA 0.485 5.011 4.527 -0.001 0.000 0.341 242 F C -1.099 174.745 175.800 0.074 0.000 1.134 242 F CA -1.040 57.051 58.000 0.152 0.000 0.968 242 F CB 1.000 40.127 39.000 0.212 0.000 1.205 242 F HN 0.441 nan 8.300 nan 0.000 0.436 243 I N 5.944 126.392 120.570 -0.202 0.000 2.297 243 I HA 0.194 4.363 4.170 -0.001 0.000 0.291 243 I C -0.390 175.471 176.117 -0.426 0.000 1.033 243 I CA -0.318 60.849 61.300 -0.221 0.000 1.253 243 I CB 1.019 38.962 38.000 -0.096 0.000 1.396 243 I HN 0.528 nan 8.210 nan 0.000 0.476 244 E N 6.491 126.434 120.200 -0.429 0.000 2.194 244 E HA 0.326 4.676 4.350 -0.001 0.000 0.284 244 E C -0.573 175.933 176.600 -0.157 0.000 1.035 244 E CA -0.641 55.521 56.400 -0.396 0.000 0.836 244 E CB 1.567 30.966 29.700 -0.501 0.000 1.070 244 E HN 0.371 nan 8.360 nan 0.000 0.401 245 I N 3.754 124.306 120.570 -0.031 0.000 2.325 245 I HA 0.092 4.261 4.170 -0.001 0.000 0.291 245 I C 0.358 176.438 176.117 -0.062 0.000 1.019 245 I CA -0.129 61.122 61.300 -0.081 0.000 1.302 245 I CB 0.802 38.793 38.000 -0.015 0.000 1.401 245 I HN 0.440 nan 8.210 nan 0.000 0.485 246 Q N 5.424 125.086 119.800 -0.230 0.000 2.266 246 Q HA 0.664 5.004 4.340 -0.001 0.000 0.261 246 Q C -1.451 174.330 176.000 -0.365 0.000 0.985 246 Q CA -0.489 55.275 55.803 -0.065 0.000 0.873 246 Q CB 2.368 31.112 28.738 0.011 0.000 1.306 246 Q HN 0.354 nan 8.270 nan 0.000 0.447 247 F N 0.718 120.786 119.950 0.197 0.000 2.588 247 F HA 0.316 4.843 4.527 -0.000 0.000 0.314 247 F C 0.224 176.136 175.800 0.186 0.000 1.069 247 F CA -1.207 56.913 58.000 0.200 0.000 0.931 247 F CB 1.198 40.341 39.000 0.238 0.000 1.260 247 F HN 0.569 nan 8.300 nan 0.000 0.465 248 N N -0.814 118.098 118.700 0.353 0.000 2.364 248 N HA 0.158 4.898 4.740 -0.001 0.000 0.264 248 N C 0.782 176.455 175.510 0.272 0.000 1.263 248 N CA -0.069 53.129 53.050 0.248 0.000 0.959 248 N CB 0.152 38.771 38.487 0.220 0.000 1.204 248 N HN 0.545 nan 8.380 nan 0.000 0.550 249 S N -2.141 113.670 115.700 0.184 0.000 2.440 249 S HA -0.122 4.348 4.470 -0.001 0.000 0.238 249 S C 1.521 176.230 174.600 0.183 0.000 1.010 249 S CA 0.656 58.983 58.200 0.211 0.000 0.972 249 S CB -0.843 62.424 63.200 0.112 0.000 0.774 249 S HN 0.795 nan 8.310 nan 0.000 0.501 250 A N 0.689 123.600 122.820 0.151 0.000 2.251 250 A HA 0.581 4.901 4.320 -0.001 0.000 0.209 250 A C 1.678 179.072 177.584 -0.317 0.000 1.187 250 A CA 0.408 52.465 52.037 0.033 0.000 0.823 250 A CB -1.032 18.138 19.000 0.284 0.000 0.846 250 A HN 1.465 nan 8.150 nan 0.000 0.486 251 G N -1.816 106.898 108.800 -0.143 0.000 2.141 251 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.242 251 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.242 251 G C -0.081 174.772 174.900 -0.079 0.000 0.982 251 G CA 0.193 45.166 45.100 -0.212 0.000 0.662 251 G HN 0.377 nan 8.290 nan 0.000 0.527 252 F N 0.141 120.320 119.950 0.382 0.000 2.425 252 F HA 0.650 5.176 4.527 -0.002 0.000 0.331 252 F C 1.276 177.242 175.800 0.277 0.000 1.085 252 F CA -1.331 56.860 58.000 0.318 0.000 1.028 252 F CB 1.016 40.111 39.000 0.158 0.000 1.177 252 F HN -0.068 nan 8.300 nan 0.000 0.487 253 I N 1.789 122.522 120.570 0.272 0.000 2.683 253 I HA -0.039 4.131 4.170 -0.001 0.000 0.286 253 I C 0.868 176.958 176.117 -0.044 0.000 1.175 253 I CA 0.539 61.747 61.300 -0.154 0.000 1.429 253 I CB 0.774 38.640 38.000 -0.224 0.000 1.371 253 I HN 0.788 nan 8.210 nan 0.000 0.569 254 S N 3.151 118.787 115.700 -0.106 0.000 2.559 254 S HA 0.521 4.990 4.470 -0.001 0.000 0.226 254 S C 0.452 175.013 174.600 -0.066 0.000 1.030 254 S CA 0.111 58.292 58.200 -0.031 0.000 0.956 254 S CB 1.049 64.268 63.200 0.031 0.000 0.900 254 S HN 0.957 nan 8.310 nan 0.000 0.510 255 G N 0.266 108.992 108.800 -0.123 0.000 2.333 255 G HA2 0.591 4.551 3.960 -0.001 0.000 0.288 255 G HA3 0.591 4.551 3.960 -0.001 0.000 0.288 255 G C -1.619 173.200 174.900 -0.135 0.000 1.286 255 G CA -0.132 44.904 45.100 -0.106 0.000 0.865 255 G HN 1.082 nan 8.290 nan 0.000 0.506 256 A N -1.434 121.320 122.820 -0.111 0.000 2.602 256 A HA 1.016 5.335 4.320 -0.001 0.000 0.290 256 A C -0.506 177.012 177.584 -0.110 0.000 1.114 256 A CA 0.357 52.323 52.037 -0.118 0.000 0.683 256 A CB 1.403 20.334 19.000 -0.114 0.000 1.281 256 A HN 2.172 nan 8.150 nan 0.000 0.416 257 S N -0.854 114.770 115.700 -0.128 0.000 2.550 257 S HA 0.745 5.215 4.470 -0.001 0.000 0.270 257 S C -1.670 172.856 174.600 -0.122 0.000 1.145 257 S CA -0.434 57.693 58.200 -0.122 0.000 0.852 257 S CB 0.849 63.974 63.200 -0.124 0.000 1.119 257 S HN 0.706 nan 8.310 nan 0.000 0.465 258 I N 3.521 124.033 120.570 -0.096 0.000 2.569 258 I HA 0.484 4.654 4.170 -0.001 0.000 0.296 258 I C -0.855 175.235 176.117 -0.046 0.000 1.028 258 I CA -0.677 60.592 61.300 -0.053 0.000 1.082 258 I CB 2.039 40.016 38.000 -0.039 0.000 1.264 258 I HN 0.560 nan 8.210 nan 0.000 0.429 259 Q N 4.507 124.321 119.800 0.022 0.000 2.323 259 Q HA 0.538 4.878 4.340 -0.001 0.000 0.271 259 Q C -1.095 174.862 176.000 -0.071 0.000 1.048 259 Q CA -0.813 54.944 55.803 -0.078 0.000 0.792 259 Q CB 2.214 30.905 28.738 -0.077 0.000 1.280 259 Q HN 0.685 nan 8.270 nan 0.000 0.441 260 S N 1.783 117.396 115.700 -0.147 0.000 2.690 260 S HA 0.830 5.300 4.470 -0.001 0.000 0.291 260 S C -0.896 173.564 174.600 -0.232 0.000 1.138 260 S CA -0.377 57.881 58.200 0.096 0.000 1.013 260 S CB 0.802 64.226 63.200 0.374 0.000 1.053 260 S HN 0.561 nan 8.310 nan 0.000 0.539 261 Y N -0.574 119.862 120.300 0.226 0.000 2.571 261 Y HA 0.465 5.015 4.550 -0.001 0.000 0.341 261 Y C -0.099 175.845 175.900 0.074 0.000 1.076 261 Y CA -1.531 56.618 58.100 0.082 0.000 1.029 261 Y CB 1.317 39.780 38.460 0.005 0.000 1.308 261 Y HN 0.717 nan 8.280 nan 0.000 0.461 262 L N 1.481 122.787 121.223 0.137 0.000 3.739 262 L HA -0.250 4.090 4.340 -0.001 0.000 0.442 262 L C -0.495 176.460 176.870 0.142 0.000 1.241 262 L CA 0.069 54.942 54.840 0.055 0.000 0.819 262 L CB -1.275 40.751 42.059 -0.054 0.000 1.679 262 L HN 0.443 nan 8.230 nan 0.000 0.889 263 L N 1.116 122.391 121.223 0.086 0.000 2.456 263 L HA 0.135 4.474 4.340 -0.001 0.000 0.272 263 L C 1.153 178.095 176.870 0.119 0.000 1.189 263 L CA 0.553 55.409 54.840 0.027 0.000 0.846 263 L CB 0.784 42.674 42.059 -0.281 0.000 1.111 263 L HN 0.242 nan 8.230 nan 0.000 0.475 264 E N 3.900 124.220 120.200 0.200 0.000 1.856 264 E HA 0.040 4.390 4.350 -0.001 0.000 0.263 264 E C 0.357 177.106 176.600 0.247 0.000 1.137 264 E CA -0.035 56.501 56.400 0.226 0.000 1.007 264 E CB 0.264 30.105 29.700 0.235 0.000 1.117 264 E HN 0.669 nan 8.360 nan 0.000 0.438 265 K N 0.865 121.373 120.400 0.181 0.000 2.283 265 K HA -0.101 4.219 4.320 -0.001 0.000 0.202 265 K C 2.010 178.678 176.600 0.113 0.000 1.048 265 K CA 1.106 57.491 56.287 0.163 0.000 0.948 265 K CB 0.137 32.721 32.500 0.140 0.000 0.742 265 K HN 0.394 nan 8.250 nan 0.000 0.458 266 S N 1.310 117.077 115.700 0.112 0.000 2.419 266 S HA -0.204 4.266 4.470 -0.001 0.000 0.233 266 S C 1.993 176.618 174.600 0.042 0.000 1.016 266 S CA 0.929 59.177 58.200 0.080 0.000 0.974 266 S CB -0.257 63.007 63.200 0.106 0.000 0.786 266 S HN 0.296 nan 8.310 nan 0.000 0.492 267 R N 1.008 121.522 120.500 0.023 0.000 2.193 267 R HA -0.016 4.324 4.340 -0.001 0.000 0.229 267 R C 1.756 177.925 176.300 -0.219 0.000 1.110 267 R CA 1.171 57.200 56.100 -0.118 0.000 0.988 267 R CB -0.519 29.606 30.300 -0.291 0.000 0.871 267 R HN 0.406 nan 8.270 nan 0.000 0.458 268 V N 0.676 120.485 119.914 -0.175 0.000 2.490 268 V HA -0.198 3.922 4.120 -0.001 0.000 0.250 268 V C 2.087 177.786 176.094 -0.658 0.000 1.061 268 V CA 1.792 63.867 62.300 -0.375 0.000 1.064 268 V CB 0.126 31.739 31.823 -0.351 0.000 0.670 268 V HN 0.488 nan 8.190 nan 0.000 0.461 269 V N -4.903 114.721 119.914 -0.483 0.000 3.643 269 V HA 0.453 4.573 4.120 -0.001 0.000 0.280 269 V C 0.086 176.124 176.094 -0.092 0.000 1.351 269 V CA -0.062 61.874 62.300 -0.606 0.000 1.073 269 V CB 0.206 31.843 31.823 -0.310 0.000 0.863 269 V HN 0.287 nan 8.190 nan 0.000 0.436 270 F N 1.033 120.873 119.950 -0.185 0.000 2.635 270 F HA 0.772 5.299 4.527 -0.001 0.000 0.314 270 F C -1.603 174.139 175.800 -0.096 0.000 1.119 270 F CA -0.561 57.392 58.000 -0.079 0.000 1.000 270 F CB 2.007 40.989 39.000 -0.030 0.000 1.278 270 F HN 0.042 nan 8.300 nan 0.000 0.446 271 Q N 2.998 122.146 119.800 -1.086 0.000 2.331 271 Q HA 0.532 4.871 4.340 -0.001 0.000 0.272 271 Q C -0.761 174.664 176.000 -0.959 0.000 1.062 271 Q CA -0.943 54.421 55.803 -0.732 0.000 0.806 271 Q CB 2.300 30.791 28.738 -0.410 0.000 1.312 271 Q HN 0.617 nan 8.270 nan 0.000 0.431 272 S N 0.950 116.369 115.700 -0.468 0.000 2.584 272 S HA 0.030 4.500 4.470 -0.001 0.000 0.270 272 S C 0.023 174.490 174.600 -0.223 0.000 1.346 272 S CA -0.556 57.507 58.200 -0.228 0.000 1.018 272 S CB 0.398 63.533 63.200 -0.108 0.000 0.899 272 S HN 0.608 nan 8.310 nan 0.000 0.542 273 E N 0.747 120.870 120.200 -0.128 0.000 2.481 273 E HA -0.040 4.310 4.350 -0.001 0.000 0.263 273 E C 0.933 177.461 176.600 -0.121 0.000 0.992 273 E CA 1.043 57.378 56.400 -0.108 0.000 0.938 273 E CB 0.177 29.844 29.700 -0.055 0.000 0.933 273 E HN 0.922 nan 8.360 nan 0.000 0.453 274 T N -0.051 114.438 114.554 -0.108 0.000 8.089 274 T HA -0.306 4.044 4.350 -0.001 0.000 0.315 274 T C 0.048 174.673 174.700 -0.125 0.000 2.025 274 T CA 1.797 63.836 62.100 -0.102 0.000 3.021 274 T CB -1.637 67.181 68.868 -0.084 0.000 2.356 274 T HN 0.624 nan 8.240 nan 0.000 1.220 275 E N 0.641 120.746 120.200 -0.157 0.000 2.292 275 E HA 0.696 5.045 4.350 -0.001 0.000 0.258 275 E C 0.452 176.957 176.600 -0.159 0.000 1.115 275 E CA -1.122 55.178 56.400 -0.166 0.000 0.929 275 E CB 0.898 30.475 29.700 -0.205 0.000 1.161 275 E HN 0.393 nan 8.360 nan 0.000 0.453 276 R N 0.602 121.011 120.500 -0.153 0.000 2.892 276 R HA 0.309 4.649 4.340 -0.001 0.000 0.265 276 R C 0.034 176.285 176.300 -0.082 0.000 1.025 276 R CA -0.937 55.097 56.100 -0.109 0.000 0.982 276 R CB 1.127 31.283 30.300 -0.240 0.000 1.185 276 R HN 0.432 nan 8.270 nan 0.000 0.484 277 N N 0.299 119.064 118.700 0.108 0.000 2.285 277 N HA 0.029 4.769 4.740 -0.001 0.000 0.262 277 N C -0.626 174.927 175.510 0.072 0.000 1.299 277 N CA 0.168 53.192 53.050 -0.042 0.000 0.930 277 N CB 0.211 38.646 38.487 -0.087 0.000 1.157 277 N HN 0.231 nan 8.380 nan 0.000 0.532 278 Y N 1.094 121.545 120.300 0.252 0.000 2.683 278 Y HA -0.041 4.508 4.550 -0.000 0.000 0.340 278 Y C 1.976 178.055 175.900 0.298 0.000 1.245 278 Y CA 0.266 58.476 58.100 0.184 0.000 1.485 278 Y CB 0.216 38.797 38.460 0.201 0.000 1.328 278 Y HN 0.504 nan 8.280 nan 0.000 0.603 279 H N 1.763 121.082 119.070 0.415 0.000 2.422 279 H HA -0.182 4.373 4.556 -0.001 0.000 0.298 279 H C 2.186 177.638 175.328 0.207 0.000 1.098 279 H CA 1.886 58.134 56.048 0.332 0.000 1.315 279 H CB -0.204 29.682 29.762 0.206 0.000 1.382 279 H HN 0.719 nan 8.280 nan 0.000 0.523 280 I N 0.713 121.323 120.570 0.067 0.000 2.264 280 I HA -0.257 3.913 4.170 -0.001 0.000 0.248 280 I C 1.792 177.722 176.117 -0.311 0.000 1.111 280 I CA 1.002 62.131 61.300 -0.285 0.000 1.382 280 I CB -0.520 36.912 38.000 -0.946 0.000 1.060 280 I HN -0.086 nan 8.210 nan 0.000 0.418 281 F N -0.259 119.610 119.950 -0.135 0.000 2.126 281 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 281 F C 2.211 177.742 175.800 -0.447 0.000 1.096 281 F CA 1.943 59.730 58.000 -0.354 0.000 1.255 281 F CB -1.274 37.407 39.000 -0.531 0.000 0.997 281 F HN 0.109 nan 8.300 nan 0.000 0.479 282 Y N -0.185 120.173 120.300 0.097 0.000 2.263 282 Y HA -0.173 4.376 4.550 -0.001 0.000 0.292 282 Y C 2.449 178.289 175.900 -0.101 0.000 1.130 282 Y CA 1.033 59.142 58.100 0.014 0.000 1.179 282 Y CB -1.080 37.415 38.460 0.059 0.000 0.998 282 Y HN 0.101 nan 8.280 nan 0.000 0.532 283 Q N -0.291 119.517 119.800 0.013 0.000 2.084 283 Q HA -0.199 4.140 4.340 -0.001 0.000 0.202 283 Q C 2.248 177.802 176.000 -0.742 0.000 0.978 283 Q CA 1.717 57.424 55.803 -0.160 0.000 0.844 283 Q CB -0.427 28.346 28.738 0.057 0.000 0.898 283 Q HN 0.449 nan 8.270 nan 0.000 0.426 284 L N 0.580 121.297 121.223 -0.843 0.000 2.027 284 L HA -0.140 4.200 4.340 -0.001 0.000 0.206 284 L C 1.954 178.414 176.870 -0.683 0.000 1.074 284 L CA 1.580 55.710 54.840 -1.183 0.000 0.745 284 L CB -0.376 41.274 42.059 -0.681 0.000 0.898 284 L HN 0.170 nan 8.230 nan 0.000 0.433 285 L N -0.561 120.439 121.223 -0.372 0.000 2.131 285 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 285 L C 2.555 179.335 176.870 -0.150 0.000 1.092 285 L CA 1.034 55.758 54.840 -0.192 0.000 0.759 285 L CB -0.896 41.117 42.059 -0.077 0.000 0.903 285 L HN 0.409 nan 8.230 nan 0.000 0.435 286 A N -0.262 122.458 122.820 -0.167 0.000 1.935 286 A HA 0.093 4.413 4.320 -0.001 0.000 0.214 286 A C 2.194 179.720 177.584 -0.096 0.000 1.178 286 A CA 1.207 53.193 52.037 -0.085 0.000 0.640 286 A CB -0.532 18.452 19.000 -0.028 0.000 0.825 286 A HN 0.389 nan 8.150 nan 0.000 0.447 287 G N -1.011 107.665 108.800 -0.206 0.000 3.126 287 G HA2 0.445 4.404 3.960 -0.001 0.000 0.224 287 G HA3 0.445 4.404 3.960 -0.001 0.000 0.224 287 G C 0.631 175.550 174.900 0.033 0.000 1.142 287 G CA 0.621 45.713 45.100 -0.014 0.000 0.759 287 G HN 0.698 nan 8.290 nan 0.000 0.550 288 A N 1.055 123.769 122.820 -0.177 0.000 2.466 288 A HA 0.527 4.846 4.320 -0.001 0.000 0.238 288 A C 1.125 178.720 177.584 0.019 0.000 1.074 288 A CA 0.493 52.501 52.037 -0.050 0.000 0.774 288 A CB -0.016 18.902 19.000 -0.137 0.000 1.015 288 A HN 0.526 nan 8.150 nan 0.000 0.498 289 T N -0.966 113.621 114.554 0.054 0.000 2.788 289 T HA 0.481 4.830 4.350 -0.001 0.000 0.287 289 T C 1.435 176.149 174.700 0.023 0.000 1.007 289 T CA -0.031 62.094 62.100 0.043 0.000 1.005 289 T CB 0.892 69.791 68.868 0.052 0.000 1.012 289 T HN 1.304 nan 8.240 nan 0.000 0.530 290 A N 0.360 123.190 122.820 0.018 0.000 1.917 290 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 290 A C 2.278 179.866 177.584 0.006 0.000 1.182 290 A CA 2.174 54.216 52.037 0.009 0.000 0.633 290 A CB -1.241 17.764 19.000 0.008 0.000 0.819 290 A HN 0.967 nan 8.150 nan 0.000 0.448 291 E N 0.175 120.384 120.200 0.015 0.000 2.106 291 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 291 E C 1.861 178.472 176.600 0.019 0.000 0.984 291 E CA 1.742 58.150 56.400 0.014 0.000 0.806 291 E CB -0.312 29.402 29.700 0.023 0.000 0.750 291 E HN 0.725 nan 8.360 nan 0.000 0.458 292 E N 0.128 120.350 120.200 0.037 0.000 2.072 292 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 292 E C 2.039 178.655 176.600 0.026 0.000 0.985 292 E CA 1.175 57.607 56.400 0.054 0.000 0.801 292 E CB -0.047 29.700 29.700 0.079 0.000 0.750 292 E HN 0.196 nan 8.360 nan 0.000 0.452 293 K N 0.940 121.345 120.400 0.008 0.000 2.097 293 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 293 K C 2.166 178.751 176.600 -0.027 0.000 1.049 293 K CA 1.019 57.308 56.287 0.003 0.000 0.933 293 K CB -0.070 32.432 32.500 0.003 0.000 0.717 293 K HN -0.032 nan 8.250 nan 0.000 0.442 294 K N 0.942 121.312 120.400 -0.050 0.000 2.025 294 K HA -0.103 4.216 4.320 -0.001 0.000 0.207 294 K C 2.140 178.610 176.600 -0.216 0.000 1.049 294 K CA 1.256 57.472 56.287 -0.118 0.000 0.933 294 K CB -0.087 32.369 32.500 -0.074 0.000 0.714 294 K HN 0.118 nan 8.250 nan 0.000 0.438 295 A N 0.888 123.645 122.820 -0.104 0.000 2.015 295 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 295 A C 1.799 179.371 177.584 -0.020 0.000 1.163 295 A CA 0.978 52.971 52.037 -0.072 0.000 0.646 295 A CB -0.247 18.761 19.000 0.013 0.000 0.806 295 A HN 0.330 nan 8.150 nan 0.000 0.448 296 L N -1.252 119.990 121.223 0.032 0.000 2.628 296 L HA 0.143 4.483 4.340 -0.001 0.000 0.229 296 L C -0.091 176.988 176.870 0.348 0.000 1.137 296 L CA -0.200 54.749 54.840 0.183 0.000 0.909 296 L CB -0.505 41.639 42.059 0.142 0.000 1.137 296 L HN 0.502 nan 8.230 nan 0.000 0.470 297 H N 0.048 119.205 119.070 0.145 0.000 2.692 297 H HA -0.132 4.423 4.556 -0.001 0.000 0.316 297 H C 0.123 175.642 175.328 0.319 0.000 1.176 297 H CA 0.288 56.439 56.048 0.172 0.000 1.142 297 H CB -1.655 28.134 29.762 0.046 0.000 1.475 297 H HN 0.327 nan 8.280 nan 0.000 0.423 298 L N -0.404 120.970 121.223 0.252 0.000 2.439 298 L HA 0.716 5.056 4.340 -0.001 0.000 0.259 298 L C 0.955 177.966 176.870 0.235 0.000 1.129 298 L CA 0.005 55.007 54.840 0.271 0.000 0.803 298 L CB 1.510 43.633 42.059 0.107 0.000 1.161 298 L HN 0.409 nan 8.230 nan 0.000 0.462 299 A N 0.088 123.089 122.820 0.302 0.000 2.534 299 A HA 0.736 5.056 4.320 -0.001 0.000 0.300 299 A C -0.393 177.304 177.584 0.188 0.000 1.223 299 A CA -0.037 52.084 52.037 0.141 0.000 0.666 299 A CB 0.422 19.407 19.000 -0.025 0.000 1.316 299 A HN 0.701 nan 8.150 nan 0.000 0.468 300 G N -0.507 108.340 108.800 0.078 0.000 2.606 300 G HA2 0.466 4.426 3.960 -0.001 0.000 0.252 300 G HA3 0.466 4.426 3.960 -0.001 0.000 0.252 300 G C -1.270 173.728 174.900 0.164 0.000 1.206 300 G CA -0.567 44.590 45.100 0.094 0.000 0.861 300 G HN 0.413 nan 8.290 nan 0.000 0.561 301 P HA -0.146 nan 4.420 nan 0.000 0.219 301 P C 1.494 178.890 177.300 0.160 0.000 1.146 301 P CA 1.300 64.532 63.100 0.220 0.000 0.808 301 P CB 0.152 31.984 31.700 0.220 0.000 0.779 302 E N 0.332 120.576 120.200 0.074 0.000 2.265 302 E HA -0.103 4.247 4.350 -0.001 0.000 0.196 302 E C 1.316 177.873 176.600 -0.071 0.000 0.996 302 E CA 1.087 57.494 56.400 0.011 0.000 0.832 302 E CB -1.073 28.624 29.700 -0.006 0.000 0.756 302 E HN 0.178 nan 8.360 nan 0.000 0.491 303 S N -0.219 115.373 115.700 -0.179 0.000 2.593 303 S HA 0.161 4.630 4.470 -0.001 0.000 0.217 303 S C -0.188 173.997 174.600 -0.691 0.000 0.966 303 S CA -0.047 57.887 58.200 -0.443 0.000 0.914 303 S CB -0.169 62.665 63.200 -0.609 0.000 0.776 303 S HN 0.163 nan 8.310 nan 0.000 0.523 304 F N 1.482 121.389 119.950 -0.071 0.000 2.467 304 F HA 0.408 4.935 4.527 -0.000 0.000 0.336 304 F C 1.104 176.837 175.800 -0.111 0.000 1.123 304 F CA -1.142 56.789 58.000 -0.114 0.000 0.964 304 F CB 0.809 39.722 39.000 -0.144 0.000 1.136 304 F HN -0.104 nan 8.300 nan 0.000 0.447 305 N N 1.596 120.298 118.700 0.003 0.000 2.137 305 N HA -0.237 4.502 4.740 -0.001 0.000 0.190 305 N C 1.153 176.707 175.510 0.074 0.000 1.017 305 N CA 1.237 54.270 53.050 -0.028 0.000 0.859 305 N CB -0.120 38.286 38.487 -0.135 0.000 1.002 305 N HN 0.649 nan 8.380 nan 0.000 0.428 306 Y N 0.122 120.398 120.300 -0.040 0.000 2.616 306 Y HA 0.052 4.602 4.550 -0.000 0.000 0.296 306 Y C 1.306 177.076 175.900 -0.216 0.000 1.154 306 Y CA 0.018 58.019 58.100 -0.165 0.000 1.325 306 Y CB 0.281 38.558 38.460 -0.304 0.000 1.007 306 Y HN 0.096 nan 8.280 nan 0.000 0.542 307 L N -0.516 120.728 121.223 0.035 0.000 3.086 307 L HA 0.112 4.452 4.340 -0.001 0.000 0.274 307 L C 0.561 177.483 176.870 0.086 0.000 1.184 307 L CA -0.030 54.823 54.840 0.021 0.000 1.002 307 L CB 0.162 42.196 42.059 -0.042 0.000 1.383 307 L HN 0.155 nan 8.230 nan 0.000 0.582 308 N N -0.744 117.989 118.700 0.054 0.000 2.235 308 N HA -0.046 4.694 4.740 -0.001 0.000 0.231 308 N C 1.133 176.646 175.510 0.005 0.000 1.177 308 N CA -0.229 52.842 53.050 0.035 0.000 0.874 308 N CB 0.131 38.631 38.487 0.021 0.000 1.097 308 N HN 0.441 nan 8.380 nan 0.000 0.518 309 Q N -0.607 119.183 119.800 -0.017 0.000 2.373 309 Q HA 0.094 4.434 4.340 -0.001 0.000 0.210 309 Q C 1.219 177.169 176.000 -0.083 0.000 0.913 309 Q CA 1.035 56.813 55.803 -0.042 0.000 0.911 309 Q CB -0.169 28.537 28.738 -0.054 0.000 1.040 309 Q HN 0.303 nan 8.270 nan 0.000 0.521 310 S N -0.022 115.610 115.700 -0.114 0.000 2.489 310 S HA 0.223 4.692 4.470 -0.001 0.000 0.228 310 S C 1.627 176.179 174.600 -0.080 0.000 0.995 310 S CA 0.630 58.751 58.200 -0.132 0.000 0.934 310 S CB -0.006 63.095 63.200 -0.165 0.000 0.771 310 S HN 0.742 nan 8.310 nan 0.000 0.522 311 G N -0.015 108.756 108.800 -0.049 0.000 2.176 311 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.253 311 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.253 311 G C 0.146 175.023 174.900 -0.038 0.000 0.979 311 G CA -0.006 45.073 45.100 -0.035 0.000 0.641 311 G HN 1.125 nan 8.290 nan 0.000 0.530 312 C N 1.183 120.452 119.300 -0.051 0.000 2.322 312 C HA 0.729 5.188 4.460 -0.001 0.000 0.324 312 C C 1.584 176.527 174.990 -0.079 0.000 1.249 312 C CA 0.160 59.136 59.018 -0.070 0.000 1.453 312 C CB 0.792 28.473 27.740 -0.099 0.000 2.145 312 C HN 1.239 nan 8.230 nan 0.000 0.466 313 V N 1.687 121.561 119.914 -0.067 0.000 3.556 313 V HA 0.394 4.514 4.120 -0.001 0.000 0.287 313 V C -0.027 175.949 176.094 -0.197 0.000 1.422 313 V CA 0.568 62.829 62.300 -0.065 0.000 1.038 313 V CB -0.243 31.657 31.823 0.128 0.000 0.850 313 V HN 0.861 nan 8.190 nan 0.000 0.437 314 D N -0.276 120.028 120.400 -0.160 0.000 2.559 314 D HA 0.631 5.270 4.640 -0.001 0.000 0.250 314 D C -0.859 175.360 176.300 -0.136 0.000 1.135 314 D CA -0.771 53.140 54.000 -0.148 0.000 0.955 314 D CB 1.855 42.614 40.800 -0.068 0.000 1.442 314 D HN 0.138 nan 8.370 nan 0.000 0.471 315 I N 0.112 120.615 120.570 -0.112 0.000 2.418 315 I HA 0.249 4.419 4.170 -0.001 0.000 0.287 315 I C 0.094 176.175 176.117 -0.061 0.000 1.008 315 I CA -1.197 60.052 61.300 -0.085 0.000 1.104 315 I CB 1.769 39.718 38.000 -0.085 0.000 1.264 315 I HN 0.330 nan 8.210 nan 0.000 0.438 316 K N 5.000 125.371 120.400 -0.049 0.000 2.466 316 K HA 0.103 4.423 4.320 -0.001 0.000 0.278 316 K C 1.089 177.665 176.600 -0.039 0.000 1.048 316 K CA 1.346 57.609 56.287 -0.040 0.000 1.088 316 K CB 0.121 32.600 32.500 -0.034 0.000 0.884 316 K HN 0.951 nan 8.250 nan 0.000 0.478 317 G N 2.115 110.893 108.800 -0.036 0.000 2.176 317 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.253 317 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.253 317 G C -0.261 174.617 174.900 -0.038 0.000 0.979 317 G CA 0.103 45.182 45.100 -0.036 0.000 0.641 317 G HN 0.529 nan 8.290 nan 0.000 0.530 318 V N 1.071 120.958 119.914 -0.044 0.000 2.417 318 V HA 0.712 4.831 4.120 -0.001 0.000 0.291 318 V C 0.441 176.512 176.094 -0.038 0.000 1.024 318 V CA 0.048 62.317 62.300 -0.051 0.000 0.861 318 V CB 1.785 33.558 31.823 -0.083 0.000 0.985 318 V HN 0.532 nan 8.190 nan 0.000 0.436 319 S N 3.072 118.757 115.700 -0.024 0.000 2.404 319 S HA 0.191 4.661 4.470 -0.001 0.000 0.309 319 S C 0.857 175.460 174.600 0.005 0.000 1.076 319 S CA -0.671 57.525 58.200 -0.007 0.000 1.095 319 S CB 0.375 63.577 63.200 0.003 0.000 0.972 319 S HN 0.752 nan 8.310 nan 0.000 0.484 320 D N 3.181 123.588 120.400 0.011 0.000 2.218 320 D HA -0.092 4.548 4.640 -0.001 0.000 0.204 320 D C 1.789 178.125 176.300 0.061 0.000 0.976 320 D CA 0.951 54.973 54.000 0.037 0.000 0.853 320 D CB 0.059 40.898 40.800 0.065 0.000 0.939 320 D HN 0.594 nan 8.370 nan 0.000 0.481 321 S N 0.491 116.220 115.700 0.049 0.000 2.371 321 S HA -0.135 4.335 4.470 -0.001 0.000 0.224 321 S C 1.730 176.395 174.600 0.108 0.000 1.029 321 S CA 0.903 59.149 58.200 0.077 0.000 0.978 321 S CB 0.052 63.280 63.200 0.048 0.000 0.833 321 S HN 0.223 nan 8.310 nan 0.000 0.466 322 E N 0.375 120.613 120.200 0.064 0.000 2.150 322 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 322 E C 2.101 178.738 176.600 0.061 0.000 0.985 322 E CA 0.923 57.355 56.400 0.052 0.000 0.814 322 E CB -0.078 29.638 29.700 0.026 0.000 0.752 322 E HN 0.482 nan 8.360 nan 0.000 0.466 323 E N 0.483 120.725 120.200 0.070 0.000 2.106 323 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 323 E C 1.782 178.468 176.600 0.143 0.000 0.984 323 E CA 0.597 57.042 56.400 0.074 0.000 0.806 323 E CB -0.281 29.445 29.700 0.045 0.000 0.750 323 E HN 0.214 nan 8.360 nan 0.000 0.458 324 F N 2.335 122.276 119.950 -0.014 0.000 2.171 324 F HA -0.154 4.372 4.527 -0.000 0.000 0.300 324 F C 2.322 178.117 175.800 -0.009 0.000 1.090 324 F CA 1.449 59.432 58.000 -0.028 0.000 1.293 324 F CB -0.117 38.838 39.000 -0.075 0.000 1.013 324 F HN -0.084 nan 8.300 nan 0.000 0.486 325 K N 0.457 120.876 120.400 0.030 0.000 2.063 325 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 325 K C 2.159 178.708 176.600 -0.084 0.000 1.048 325 K CA 2.078 58.322 56.287 -0.071 0.000 0.928 325 K CB -0.382 32.116 32.500 -0.003 0.000 0.713 325 K HN 0.378 nan 8.250 nan 0.000 0.442 326 I N 0.756 121.308 120.570 -0.030 0.000 2.252 326 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 326 I C 2.143 178.238 176.117 -0.036 0.000 1.102 326 I CA 1.398 62.684 61.300 -0.023 0.000 1.385 326 I CB -0.387 37.618 38.000 0.008 0.000 1.064 326 I HN 0.250 nan 8.210 nan 0.000 0.414 327 T N 0.510 115.050 114.554 -0.024 0.000 2.684 327 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 327 T C 2.025 176.682 174.700 -0.071 0.000 1.036 327 T CA 1.392 63.492 62.100 0.000 0.000 1.148 327 T CB -0.247 68.677 68.868 0.093 0.000 0.863 327 T HN 0.308 nan 8.240 nan 0.000 0.436 328 R N 0.554 120.932 120.500 -0.203 0.000 2.075 328 R HA -0.077 4.262 4.340 -0.001 0.000 0.232 328 R C 2.686 178.923 176.300 -0.104 0.000 1.126 328 R CA 1.270 57.277 56.100 -0.155 0.000 0.963 328 R CB -0.288 29.848 30.300 -0.274 0.000 0.858 328 R HN 0.276 nan 8.270 nan 0.000 0.435 329 Q N 1.098 120.837 119.800 -0.102 0.000 2.096 329 Q HA -0.135 4.205 4.340 -0.001 0.000 0.204 329 Q C 1.904 177.845 176.000 -0.099 0.000 0.982 329 Q CA 2.198 57.953 55.803 -0.079 0.000 0.850 329 Q CB -0.327 28.375 28.738 -0.061 0.000 0.901 329 Q HN 0.324 nan 8.270 nan 0.000 0.422 330 A N 0.117 122.873 122.820 -0.107 0.000 1.902 330 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 330 A C 2.173 179.599 177.584 -0.264 0.000 1.181 330 A CA 1.815 53.766 52.037 -0.143 0.000 0.623 330 A CB -0.610 18.326 19.000 -0.106 0.000 0.818 330 A HN 0.536 nan 8.150 nan 0.000 0.443 331 M N -0.523 118.894 119.600 -0.304 0.000 2.159 331 M HA -0.170 4.310 4.480 -0.001 0.000 0.263 331 M C 1.516 177.595 176.300 -0.368 0.000 1.063 331 M CA 1.632 56.596 55.300 -0.559 0.000 1.110 331 M CB -0.608 31.817 32.600 -0.292 0.000 1.374 331 M HN 0.332 nan 8.290 nan 0.000 0.411 332 D N 0.771 121.067 120.400 -0.172 0.000 2.097 332 D HA -0.115 4.525 4.640 -0.001 0.000 0.195 332 D C 1.898 178.132 176.300 -0.109 0.000 0.989 332 D CA 1.382 55.326 54.000 -0.093 0.000 0.827 332 D CB -0.327 40.438 40.800 -0.058 0.000 0.966 332 D HN 0.380 nan 8.370 nan 0.000 0.456 333 I N 0.894 121.385 120.570 -0.133 0.000 2.286 333 I HA -0.188 3.982 4.170 -0.001 0.000 0.248 333 I C 2.170 178.208 176.117 -0.132 0.000 1.115 333 I CA 0.756 61.988 61.300 -0.113 0.000 1.392 333 I CB -0.122 37.816 38.000 -0.103 0.000 1.065 333 I HN -0.047 nan 8.210 nan 0.000 0.418 334 V N -1.262 118.521 119.914 -0.218 0.000 3.630 334 V HA 0.396 4.516 4.120 -0.001 0.000 0.273 334 V C 1.314 177.345 176.094 -0.104 0.000 1.248 334 V CA 0.515 62.692 62.300 -0.204 0.000 1.170 334 V CB -0.709 30.929 31.823 -0.308 0.000 0.899 334 V HN 0.590 nan 8.190 nan 0.000 0.457 335 G N -0.620 108.140 108.800 -0.066 0.000 2.141 335 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.231 335 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.231 335 G C -0.362 174.668 174.900 0.216 0.000 0.984 335 G CA -0.040 45.093 45.100 0.055 0.000 0.660 335 G HN 0.418 nan 8.290 nan 0.000 0.525 336 F N 2.785 122.690 119.950 -0.075 0.000 2.495 336 F HA 0.530 5.056 4.527 -0.001 0.000 0.365 336 F C 1.494 177.276 175.800 -0.030 0.000 1.090 336 F CA -0.934 57.032 58.000 -0.056 0.000 1.235 336 F CB 0.738 39.703 39.000 -0.057 0.000 1.119 336 F HN 0.324 nan 8.300 nan 0.000 0.562 337 S N 2.924 118.714 115.700 0.151 0.000 2.600 337 S HA 0.058 4.527 4.470 -0.001 0.000 0.265 337 S C 1.051 175.699 174.600 0.081 0.000 1.325 337 S CA -0.718 57.533 58.200 0.086 0.000 1.002 337 S CB 0.945 64.177 63.200 0.053 0.000 0.921 337 S HN 0.557 nan 8.310 nan 0.000 0.554 338 Q N 0.971 120.807 119.800 0.061 0.000 2.135 338 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 338 Q C 2.005 178.032 176.000 0.045 0.000 0.981 338 Q CA 1.831 57.671 55.803 0.061 0.000 0.856 338 Q CB -0.484 28.289 28.738 0.058 0.000 0.902 338 Q HN 0.855 nan 8.270 nan 0.000 0.425 339 E N 0.363 120.583 120.200 0.033 0.000 2.107 339 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 339 E C 1.861 178.452 176.600 -0.014 0.000 0.982 339 E CA 0.580 56.990 56.400 0.017 0.000 0.809 339 E CB 0.051 29.760 29.700 0.016 0.000 0.756 339 E HN 0.478 nan 8.360 nan 0.000 0.459 340 E N 0.918 121.115 120.200 -0.005 0.000 2.106 340 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 340 E C 2.149 178.684 176.600 -0.107 0.000 0.984 340 E CA 0.816 57.195 56.400 -0.035 0.000 0.806 340 E CB 0.042 29.761 29.700 0.033 0.000 0.750 340 E HN 0.252 nan 8.360 nan 0.000 0.458 341 Q N -0.089 119.660 119.800 -0.086 0.000 2.084 341 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 341 Q C 2.130 177.756 176.000 -0.624 0.000 0.978 341 Q CA 1.301 56.906 55.803 -0.330 0.000 0.844 341 Q CB -0.121 28.530 28.738 -0.146 0.000 0.898 341 Q HN 0.200 nan 8.270 nan 0.000 0.426 342 M N 0.146 119.636 119.600 -0.184 0.000 2.229 342 M HA -0.095 4.385 4.480 -0.001 0.000 0.264 342 M C 1.874 178.152 176.300 -0.037 0.000 1.063 342 M CA 1.521 56.825 55.300 0.007 0.000 1.114 342 M CB -0.051 32.611 32.600 0.103 0.000 1.387 342 M HN -0.063 nan 8.290 nan 0.000 0.420 343 S N 0.246 115.885 115.700 -0.102 0.000 2.383 343 S HA -0.030 4.439 4.470 -0.001 0.000 0.227 343 S C 1.862 176.392 174.600 -0.117 0.000 1.026 343 S CA 1.452 59.597 58.200 -0.092 0.000 0.981 343 S CB -0.498 62.615 63.200 -0.146 0.000 0.818 343 S HN 0.563 nan 8.310 nan 0.000 0.472 344 I N 0.757 121.187 120.570 -0.233 0.000 2.179 344 I HA -0.197 3.973 4.170 -0.001 0.000 0.242 344 I C 1.781 177.944 176.117 0.076 0.000 1.088 344 I CA 1.267 62.473 61.300 -0.157 0.000 1.357 344 I CB -0.405 37.464 38.000 -0.218 0.000 1.051 344 I HN 0.228 nan 8.210 nan 0.000 0.409 345 F N 1.158 121.209 119.950 0.167 0.000 2.234 345 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 345 F C 2.384 178.232 175.800 0.080 0.000 1.087 345 F CA 0.948 59.038 58.000 0.151 0.000 1.340 345 F CB -1.084 38.029 39.000 0.187 0.000 1.031 345 F HN -0.050 nan 8.300 nan 0.000 0.500 346 K N 0.350 120.879 120.400 0.215 0.000 2.097 346 K HA -0.111 4.209 4.320 -0.001 0.000 0.206 346 K C 2.078 178.702 176.600 0.041 0.000 1.049 346 K CA 1.330 57.678 56.287 0.101 0.000 0.933 346 K CB -0.350 32.193 32.500 0.071 0.000 0.717 346 K HN 0.234 nan 8.250 nan 0.000 0.442 347 I N 0.883 121.540 120.570 0.145 0.000 2.315 347 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 347 I C 1.995 178.277 176.117 0.274 0.000 1.117 347 I CA 0.715 62.190 61.300 0.293 0.000 1.404 347 I CB -0.132 38.045 38.000 0.296 0.000 1.071 347 I HN 0.117 nan 8.210 nan 0.000 0.419 348 I N 1.001 121.713 120.570 0.237 0.000 2.252 348 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 348 I C 2.832 179.036 176.117 0.146 0.000 1.102 348 I CA 1.611 63.042 61.300 0.218 0.000 1.385 348 I CB -1.475 36.573 38.000 0.081 0.000 1.064 348 I HN 0.171 nan 8.210 nan 0.000 0.414 349 A N 0.935 123.772 122.820 0.029 0.000 1.902 349 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 349 A C 2.508 179.978 177.584 -0.190 0.000 1.181 349 A CA 1.840 53.795 52.037 -0.137 0.000 0.623 349 A CB -1.337 17.648 19.000 -0.025 0.000 0.818 349 A HN 0.421 nan 8.150 nan 0.000 0.443 350 G N -0.072 108.590 108.800 -0.230 0.000 2.442 350 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.219 350 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.219 350 G C 1.523 176.472 174.900 0.082 0.000 1.141 350 G CA 1.108 45.883 45.100 -0.543 0.000 0.763 350 G HN 0.479 nan 8.290 nan 0.000 0.554 351 I N 0.304 121.068 120.570 0.324 0.000 2.226 351 I HA -0.140 4.029 4.170 -0.001 0.000 0.245 351 I C 2.703 178.994 176.117 0.290 0.000 1.100 351 I CA 0.702 62.278 61.300 0.460 0.000 1.374 351 I CB -0.146 38.190 38.000 0.560 0.000 1.057 351 I HN 0.144 nan 8.210 nan 0.000 0.413 352 L N -0.354 120.896 121.223 0.045 0.000 2.083 352 L HA -0.244 4.096 4.340 -0.001 0.000 0.209 352 L C 2.700 179.500 176.870 -0.117 0.000 1.083 352 L CA 1.183 55.884 54.840 -0.232 0.000 0.752 352 L CB -0.943 40.598 42.059 -0.863 0.000 0.899 352 L HN 0.375 nan 8.230 nan 0.000 0.433 353 H N -0.130 118.972 119.070 0.055 0.000 2.357 353 H HA -0.080 4.476 4.556 -0.001 0.000 0.301 353 H C 2.426 177.785 175.328 0.051 0.000 1.082 353 H CA 1.162 57.268 56.048 0.097 0.000 1.342 353 H CB -0.241 29.548 29.762 0.046 0.000 1.389 353 H HN 0.295 nan 8.280 nan 0.000 0.511 354 L N -0.004 121.360 121.223 0.236 0.000 2.043 354 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 354 L C 2.728 179.594 176.870 -0.008 0.000 1.075 354 L CA 1.278 56.239 54.840 0.202 0.000 0.752 354 L CB -0.748 41.523 42.059 0.354 0.000 0.891 354 L HN 0.314 nan 8.230 nan 0.000 0.432 355 G N -0.751 107.898 108.800 -0.252 0.000 2.470 355 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 355 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 355 G C 1.242 175.827 174.900 -0.525 0.000 1.121 355 G CA 0.537 45.036 45.100 -1.001 0.000 0.766 355 G HN 0.331 nan 8.290 nan 0.000 0.553 356 N N -0.016 118.550 118.700 -0.224 0.000 2.336 356 N HA 0.157 4.896 4.740 -0.001 0.000 0.189 356 N C 0.567 175.984 175.510 -0.155 0.000 1.113 356 N CA -0.182 52.786 53.050 -0.136 0.000 0.858 356 N CB 0.217 38.694 38.487 -0.016 0.000 0.970 356 N HN 0.275 nan 8.380 nan 0.000 0.471 357 I N 1.233 121.683 120.570 -0.200 0.000 2.598 357 I HA -0.038 4.132 4.170 -0.001 0.000 0.284 357 I C 0.771 176.614 176.117 -0.456 0.000 1.140 357 I CA 0.182 61.275 61.300 -0.345 0.000 1.420 357 I CB 0.453 38.184 38.000 -0.447 0.000 1.387 357 I HN -0.144 nan 8.210 nan 0.000 0.553 358 K N 8.057 128.222 120.400 -0.392 0.000 2.367 358 K HA 0.397 4.716 4.320 -0.001 0.000 0.263 358 K C -1.130 175.310 176.600 -0.267 0.000 1.000 358 K CA -0.506 55.625 56.287 -0.261 0.000 0.891 358 K CB 0.668 33.093 32.500 -0.126 0.000 1.117 358 K HN 0.279 nan 8.250 nan 0.000 0.443 359 F N 2.600 122.558 119.950 0.013 0.000 2.412 359 F HA 0.233 4.760 4.527 -0.001 0.000 0.348 359 F C 0.520 176.328 175.800 0.012 0.000 1.102 359 F CA -0.243 57.766 58.000 0.016 0.000 1.196 359 F CB 1.167 40.181 39.000 0.024 0.000 1.144 359 F HN 0.466 nan 8.300 nan 0.000 0.541 360 E N 1.290 121.607 120.200 0.194 0.000 2.288 360 E HA 0.251 4.600 4.350 -0.001 0.000 0.268 360 E C -1.014 175.639 176.600 0.090 0.000 0.885 360 E CA -1.249 55.215 56.400 0.107 0.000 0.767 360 E CB 1.897 31.633 29.700 0.061 0.000 1.220 360 E HN 0.365 nan 8.360 nan 0.000 0.427 361 K N 1.353 121.789 120.400 0.060 0.000 2.379 361 K HA 0.177 4.497 4.320 -0.001 0.000 0.284 361 K C 0.485 177.103 176.600 0.031 0.000 1.044 361 K CA 0.013 56.324 56.287 0.040 0.000 0.974 361 K CB 0.524 33.041 32.500 0.029 0.000 0.962 361 K HN 0.686 nan 8.250 nan 0.000 0.474 362 G N 2.737 111.551 108.800 0.024 0.000 3.078 362 G HA2 0.019 3.978 3.960 -0.001 0.000 0.163 362 G HA3 0.019 3.978 3.960 -0.001 0.000 0.163 362 G C 0.848 175.750 174.900 0.004 0.000 1.894 362 G CA 0.671 45.779 45.100 0.013 0.000 0.951 362 G HN 0.703 nan 8.290 nan 0.000 0.446 363 A N -0.845 121.972 122.820 -0.006 0.000 1.878 363 A HA 0.467 4.787 4.320 -0.001 0.000 0.213 363 A C 1.887 179.467 177.584 -0.008 0.000 1.192 363 A CA 1.879 53.911 52.037 -0.008 0.000 0.619 363 A CB -0.801 18.190 19.000 -0.016 0.000 0.837 363 A HN 0.864 nan 8.150 nan 0.000 0.446 364 G N -0.559 108.234 108.800 -0.012 0.000 3.392 364 G HA2 0.357 4.317 3.960 -0.001 0.000 0.188 364 G HA3 0.357 4.317 3.960 -0.001 0.000 0.188 364 G C 0.736 175.634 174.900 -0.003 0.000 1.485 364 G CA 0.650 45.745 45.100 -0.009 0.000 0.943 364 G HN 0.399 nan 8.290 nan 0.000 0.627 365 E N -0.244 119.955 120.200 -0.002 0.000 2.250 365 E HA 0.242 4.592 4.350 -0.001 0.000 0.192 365 E C 1.473 178.077 176.600 0.006 0.000 0.986 365 E CA 0.347 56.750 56.400 0.005 0.000 0.849 365 E CB -0.571 29.134 29.700 0.008 0.000 0.797 365 E HN 0.493 nan 8.360 nan 0.000 0.482 366 G N 1.029 109.828 108.800 -0.002 0.000 2.265 366 G HA2 0.255 4.215 3.960 -0.001 0.000 0.240 366 G HA3 0.255 4.215 3.960 -0.001 0.000 0.240 366 G C 0.076 174.984 174.900 0.013 0.000 1.270 366 G CA 0.001 45.101 45.100 0.001 0.000 0.901 366 G HN 0.474 nan 8.290 nan 0.000 0.507 367 A N 1.518 124.349 122.820 0.019 0.000 2.425 367 A HA 0.625 4.945 4.320 -0.001 0.000 0.249 367 A C 0.518 178.154 177.584 0.086 0.000 1.084 367 A CA 0.255 52.322 52.037 0.050 0.000 0.781 367 A CB 0.572 19.566 19.000 -0.009 0.000 1.019 367 A HN 1.999 nan 8.150 nan 0.000 0.490 368 V N -0.297 119.691 119.914 0.123 0.000 3.130 368 V HA 0.787 4.907 4.120 -0.001 0.000 0.310 368 V C -1.061 175.117 176.094 0.140 0.000 1.158 368 V CA -1.050 61.316 62.300 0.112 0.000 1.029 368 V CB 1.766 33.623 31.823 0.056 0.000 1.057 368 V HN 0.739 nan 8.190 nan 0.000 0.436 369 L N 2.191 123.474 121.223 0.099 0.000 2.318 369 L HA 0.582 4.922 4.340 -0.001 0.000 0.277 369 L C 0.877 177.756 176.870 0.014 0.000 1.008 369 L CA 0.165 55.034 54.840 0.049 0.000 0.846 369 L CB 1.132 43.217 42.059 0.043 0.000 1.220 369 L HN 0.839 nan 8.230 nan 0.000 0.423 370 K N 1.159 121.559 120.400 -0.000 0.000 2.005 370 K HA 0.019 4.339 4.320 -0.001 0.000 0.206 370 K C 0.074 176.661 176.600 -0.021 0.000 1.044 370 K CA 0.730 57.013 56.287 -0.008 0.000 0.942 370 K CB 0.107 32.602 32.500 -0.008 0.000 0.727 370 K HN 0.470 nan 8.250 nan 0.000 0.439 371 D N 1.222 121.600 120.400 -0.036 0.000 2.313 371 D HA 0.042 4.682 4.640 -0.001 0.000 0.239 371 D C 0.144 176.410 176.300 -0.057 0.000 1.142 371 D CA 0.017 53.989 54.000 -0.046 0.000 0.847 371 D CB 0.929 41.698 40.800 -0.052 0.000 1.082 371 D HN -0.111 nan 8.370 nan 0.000 0.480 372 K N 2.508 122.878 120.400 -0.051 0.000 2.417 372 K HA 0.039 4.359 4.320 -0.001 0.000 0.196 372 K C 1.367 177.922 176.600 -0.076 0.000 1.023 372 K CA 0.056 56.309 56.287 -0.056 0.000 1.122 372 K CB 0.176 32.651 32.500 -0.042 0.000 0.850 372 K HN 0.443 nan 8.250 nan 0.000 0.521 373 T N 1.693 116.199 114.554 -0.080 0.000 2.607 373 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 373 T C 2.013 176.633 174.700 -0.133 0.000 1.049 373 T CA 1.973 64.013 62.100 -0.101 0.000 1.162 373 T CB -0.131 68.689 68.868 -0.080 0.000 0.863 373 T HN 0.362 nan 8.240 nan 0.000 0.424 374 A N 0.933 123.694 122.820 -0.099 0.000 1.930 374 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 374 A C 2.286 179.827 177.584 -0.071 0.000 1.175 374 A CA 1.361 53.355 52.037 -0.070 0.000 0.627 374 A CB -0.787 18.196 19.000 -0.028 0.000 0.815 374 A HN 0.435 nan 8.150 nan 0.000 0.443 375 L N 0.309 121.492 121.223 -0.067 0.000 2.017 375 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 375 L C 1.802 178.640 176.870 -0.053 0.000 1.073 375 L CA 2.387 57.212 54.840 -0.027 0.000 0.745 375 L CB -0.603 41.442 42.059 -0.024 0.000 0.894 375 L HN 0.309 nan 8.230 nan 0.000 0.432 376 N N 0.207 118.842 118.700 -0.107 0.000 2.188 376 N HA -0.093 4.647 4.740 -0.001 0.000 0.184 376 N C 1.827 177.189 175.510 -0.246 0.000 1.018 376 N CA 1.464 54.429 53.050 -0.141 0.000 0.858 376 N CB -0.494 37.909 38.487 -0.139 0.000 0.989 376 N HN 0.563 nan 8.380 nan 0.000 0.426 377 A N 0.881 123.469 122.820 -0.387 0.000 1.898 377 A HA 0.089 4.408 4.320 -0.001 0.000 0.216 377 A C 2.346 179.676 177.584 -0.424 0.000 1.181 377 A CA 1.766 53.389 52.037 -0.692 0.000 0.620 377 A CB -0.806 17.514 19.000 -1.133 0.000 0.819 377 A HN 0.293 nan 8.150 nan 0.000 0.442 378 A N -0.394 122.313 122.820 -0.189 0.000 1.877 378 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 378 A C 2.440 180.058 177.584 0.057 0.000 1.186 378 A CA 2.092 54.129 52.037 0.000 0.000 0.620 378 A CB -0.952 18.204 19.000 0.260 0.000 0.822 378 A HN 0.452 nan 8.150 nan 0.000 0.443 379 S N -0.353 115.388 115.700 0.069 0.000 2.370 379 S HA -0.147 4.323 4.470 -0.001 0.000 0.226 379 S C 2.036 176.647 174.600 0.018 0.000 1.033 379 S CA 1.831 60.071 58.200 0.067 0.000 1.011 379 S CB -0.600 62.597 63.200 -0.005 0.000 0.852 379 S HN 0.709 nan 8.310 nan 0.000 0.457 380 T N 2.325 116.847 114.554 -0.053 0.000 2.674 380 T HA -0.102 4.247 4.350 -0.001 0.000 0.265 380 T C 2.170 176.868 174.700 -0.004 0.000 1.039 380 T CA 1.676 63.754 62.100 -0.038 0.000 1.150 380 T CB -0.596 68.226 68.868 -0.077 0.000 0.864 380 T HN 0.458 nan 8.240 nan 0.000 0.427 381 V N -0.958 118.927 119.914 -0.048 0.000 2.548 381 V HA 0.030 4.150 4.120 -0.001 0.000 0.249 381 V C 2.005 178.085 176.094 -0.023 0.000 1.055 381 V CA 1.404 63.676 62.300 -0.045 0.000 1.065 381 V CB -1.304 30.471 31.823 -0.080 0.000 0.681 381 V HN 0.471 nan 8.190 nan 0.000 0.462 382 F N 1.987 121.989 119.950 0.086 0.000 2.558 382 F HA 0.397 4.923 4.527 -0.001 0.000 0.298 382 F C 2.056 177.844 175.800 -0.020 0.000 1.119 382 F CA 0.594 58.641 58.000 0.078 0.000 1.451 382 F CB -0.190 38.880 39.000 0.118 0.000 1.091 382 F HN 0.433 nan 8.300 nan 0.000 0.563 383 G N 1.434 110.309 108.800 0.125 0.000 2.198 383 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.257 383 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.257 383 G C -0.179 174.696 174.900 -0.043 0.000 1.042 383 G CA 0.201 45.322 45.100 0.034 0.000 0.791 383 G HN 0.444 nan 8.290 nan 0.000 0.502 384 V N -3.179 116.686 119.914 -0.081 0.000 3.046 384 V HA 0.783 4.903 4.120 -0.001 0.000 0.316 384 V C 0.309 176.321 176.094 -0.136 0.000 1.104 384 V CA -1.321 60.860 62.300 -0.198 0.000 1.006 384 V CB 1.911 33.451 31.823 -0.472 0.000 1.058 384 V HN 0.380 nan 8.190 nan 0.000 0.440 385 N N 2.877 121.490 118.700 -0.144 0.000 2.420 385 N HA 0.348 5.087 4.740 -0.001 0.000 0.262 385 N C -1.358 174.102 175.510 -0.084 0.000 1.144 385 N CA -1.302 51.691 53.050 -0.094 0.000 0.952 385 N CB 1.421 39.858 38.487 -0.083 0.000 1.081 385 N HN 0.625 nan 8.380 nan 0.000 0.480 386 P HA -0.126 nan 4.420 nan 0.000 0.218 386 P C 0.759 178.046 177.300 -0.021 0.000 1.149 386 P CA 1.131 64.211 63.100 -0.034 0.000 0.817 386 P CB 0.278 31.959 31.700 -0.031 0.000 0.785 387 S N -0.056 115.630 115.700 -0.023 0.000 2.356 387 S HA -0.080 4.390 4.470 -0.001 0.000 0.223 387 S C 2.142 176.736 174.600 -0.010 0.000 1.032 387 S CA 1.237 59.431 58.200 -0.010 0.000 1.005 387 S CB -1.153 62.040 63.200 -0.012 0.000 0.867 387 S HN -0.016 nan 8.310 nan 0.000 0.449 388 V N 1.841 121.735 119.914 -0.033 0.000 2.343 388 V HA -0.131 3.989 4.120 -0.001 0.000 0.247 388 V C 2.245 178.319 176.094 -0.034 0.000 1.051 388 V CA 1.487 63.762 62.300 -0.041 0.000 1.036 388 V CB -0.644 31.134 31.823 -0.075 0.000 0.654 388 V HN 0.357 nan 8.190 nan 0.000 0.451 389 L N 0.285 121.481 121.223 -0.045 0.000 2.056 389 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 389 L C 2.397 179.305 176.870 0.063 0.000 1.078 389 L CA 2.175 57.012 54.840 -0.006 0.000 0.749 389 L CB -0.717 41.334 42.059 -0.014 0.000 0.901 389 L HN 0.425 nan 8.230 nan 0.000 0.433 390 E N -0.536 119.699 120.200 0.058 0.000 2.077 390 E HA -0.265 4.085 4.350 -0.001 0.000 0.193 390 E C 2.091 178.745 176.600 0.090 0.000 0.989 390 E CA 1.443 57.899 56.400 0.094 0.000 0.800 390 E CB 0.011 29.752 29.700 0.069 0.000 0.746 390 E HN 0.514 nan 8.360 nan 0.000 0.452 391 K N -0.196 120.237 120.400 0.055 0.000 2.103 391 K HA -0.034 4.286 4.320 -0.001 0.000 0.204 391 K C 2.057 178.679 176.600 0.037 0.000 1.052 391 K CA 0.867 57.182 56.287 0.047 0.000 0.945 391 K CB -0.003 32.515 32.500 0.030 0.000 0.722 391 K HN 0.090 nan 8.250 nan 0.000 0.443 392 A N 1.056 123.897 122.820 0.035 0.000 2.015 392 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 392 A C 2.004 179.614 177.584 0.042 0.000 1.163 392 A CA 1.081 53.137 52.037 0.031 0.000 0.646 392 A CB -0.381 18.641 19.000 0.036 0.000 0.806 392 A HN 0.135 nan 8.150 nan 0.000 0.448 393 L N -1.850 119.418 121.223 0.075 0.000 2.127 393 L HA 0.023 4.362 4.340 -0.001 0.000 0.203 393 L C 2.568 179.416 176.870 -0.037 0.000 1.080 393 L CA 1.112 55.995 54.840 0.072 0.000 0.768 393 L CB -0.205 41.988 42.059 0.223 0.000 0.924 393 L HN 0.365 nan 8.230 nan 0.000 0.444 394 M N -1.662 117.940 119.600 0.002 0.000 2.421 394 M HA 0.078 4.558 4.480 -0.001 0.000 0.258 394 M C 0.046 176.353 176.300 0.013 0.000 1.122 394 M CA 0.623 55.903 55.300 -0.034 0.000 1.078 394 M CB 0.711 33.330 32.600 0.032 0.000 1.380 394 M HN 0.013 nan 8.290 nan 0.000 0.499 395 E N 1.207 121.419 120.200 0.021 0.000 4.170 395 E HA 0.201 4.551 4.350 -0.001 0.000 0.215 395 E C -2.449 174.117 176.600 -0.056 0.000 1.119 395 E CA -1.510 54.885 56.400 -0.010 0.000 1.396 395 E CB 0.764 30.505 29.700 0.069 0.000 1.182 395 E HN 0.114 nan 8.360 nan 0.000 0.438 396 P HA 0.018 nan 4.420 nan 0.000 0.268 396 P C -0.389 176.868 177.300 -0.071 0.000 1.204 396 P CA 0.037 63.108 63.100 -0.049 0.000 0.768 396 P CB 0.875 32.550 31.700 -0.042 0.000 0.842 397 R N 2.565 123.032 120.500 -0.054 0.000 2.457 397 R HA 0.588 4.928 4.340 -0.001 0.000 0.284 397 R C 0.416 176.691 176.300 -0.042 0.000 1.024 397 R CA -0.630 55.435 56.100 -0.058 0.000 1.025 397 R CB 0.437 30.712 30.300 -0.042 0.000 1.063 397 R HN 0.486 nan 8.270 nan 0.000 0.493 398 I N -1.592 118.952 120.570 -0.043 0.000 3.174 398 I HA 0.448 4.618 4.170 -0.001 0.000 0.313 398 I C -1.119 174.985 176.117 -0.022 0.000 1.155 398 I CA -1.157 60.127 61.300 -0.028 0.000 0.977 398 I CB 1.145 39.128 38.000 -0.028 0.000 1.248 398 I HN 0.358 nan 8.210 nan 0.000 0.453 399 L N 2.631 123.847 121.223 -0.012 0.000 2.264 399 L HA 0.755 5.094 4.340 -0.001 0.000 0.289 399 L C -0.018 176.847 176.870 -0.007 0.000 1.044 399 L CA -0.607 54.228 54.840 -0.008 0.000 0.807 399 L CB 1.493 43.551 42.059 -0.002 0.000 1.192 399 L HN 0.894 nan 8.230 nan 0.000 0.425 400 A N 3.592 126.407 122.820 -0.008 0.000 2.540 400 A HA 0.672 4.992 4.320 -0.001 0.000 0.340 400 A C 0.698 178.281 177.584 -0.002 0.000 1.424 400 A CA 0.265 52.299 52.037 -0.005 0.000 0.940 400 A CB 0.110 19.105 19.000 -0.008 0.000 1.149 400 A HN 0.983 nan 8.150 nan 0.000 0.505 401 G N 2.103 110.904 108.800 0.001 0.000 2.536 401 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.277 401 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.277 401 G C 0.890 175.791 174.900 0.002 0.000 1.155 401 G CA 0.380 45.482 45.100 0.003 0.000 0.960 401 G HN 0.692 nan 8.290 nan 0.000 0.544 402 R N 1.272 121.773 120.500 0.002 0.000 2.334 402 R HA 0.164 4.504 4.340 -0.001 0.000 0.212 402 R C -0.440 175.859 176.300 -0.000 0.000 0.897 402 R CA 0.171 56.272 56.100 0.001 0.000 1.056 402 R CB 0.284 30.585 30.300 0.002 0.000 1.046 402 R HN 0.500 nan 8.270 nan 0.000 0.513 403 D N 1.409 121.808 120.400 -0.002 0.000 2.264 403 D HA 0.074 4.713 4.640 -0.001 0.000 0.250 403 D C -0.330 175.965 176.300 -0.008 0.000 1.113 403 D CA -0.283 53.715 54.000 -0.003 0.000 0.871 403 D CB 1.663 42.461 40.800 -0.003 0.000 1.167 403 D HN -0.161 nan 8.370 nan 0.000 0.447 404 L N 2.938 124.155 121.223 -0.009 0.000 2.361 404 L HA 0.186 4.526 4.340 -0.001 0.000 0.278 404 L C -0.394 176.462 176.870 -0.024 0.000 1.113 404 L CA -0.057 54.774 54.840 -0.015 0.000 0.849 404 L CB 1.035 43.086 42.059 -0.013 0.000 1.155 404 L HN 0.143 nan 8.230 nan 0.000 0.452 405 V N 5.213 125.105 119.914 -0.037 0.000 2.656 405 V HA 0.870 4.990 4.120 -0.001 0.000 0.307 405 V C -0.276 175.759 176.094 -0.099 0.000 1.051 405 V CA -0.469 61.797 62.300 -0.056 0.000 0.893 405 V CB 1.891 33.686 31.823 -0.046 0.000 0.999 405 V HN 0.896 nan 8.190 nan 0.000 0.426 406 A N 5.267 127.990 122.820 -0.161 0.000 2.309 406 A HA 0.525 4.845 4.320 -0.001 0.000 0.290 406 A C -0.046 177.287 177.584 -0.418 0.000 1.206 406 A CA -0.339 51.536 52.037 -0.270 0.000 0.850 406 A CB 0.473 19.285 19.000 -0.313 0.000 1.118 406 A HN 0.967 nan 8.150 nan 0.000 0.523 407 Q N 2.787 122.419 119.800 -0.280 0.000 2.337 407 Q HA 0.126 4.466 4.340 -0.001 0.000 0.255 407 Q C -0.819 175.032 176.000 -0.248 0.000 0.997 407 Q CA -0.449 55.218 55.803 -0.227 0.000 0.925 407 Q CB 0.235 28.906 28.738 -0.112 0.000 1.212 407 Q HN 0.795 nan 8.270 nan 0.000 0.436 408 H N 5.645 124.702 119.070 -0.021 0.000 3.089 408 H HA 0.129 4.685 4.556 -0.000 0.000 0.262 408 H C 0.056 175.361 175.328 -0.038 0.000 1.160 408 H CA 0.084 56.117 56.048 -0.026 0.000 1.482 408 H CB -0.032 29.721 29.762 -0.016 0.000 1.511 408 H HN 0.567 nan 8.280 nan 0.000 0.483 409 L N 3.267 124.508 121.223 0.029 0.000 2.464 409 L HA 0.005 4.345 4.340 -0.001 0.000 0.264 409 L C 1.133 177.984 176.870 -0.032 0.000 1.199 409 L CA -0.549 54.273 54.840 -0.031 0.000 0.818 409 L CB 0.305 42.302 42.059 -0.103 0.000 1.102 409 L HN 0.626 nan 8.230 nan 0.000 0.473 410 N N 0.338 119.012 118.700 -0.044 0.000 2.448 410 N HA 0.162 4.902 4.740 -0.001 0.000 0.274 410 N C 0.616 176.081 175.510 -0.074 0.000 1.239 410 N CA -0.853 52.177 53.050 -0.034 0.000 0.982 410 N CB 0.342 38.821 38.487 -0.014 0.000 1.199 410 N HN 0.242 nan 8.380 nan 0.000 0.576 411 V N -0.337 119.559 119.914 -0.030 0.000 2.332 411 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 411 V C 2.425 178.499 176.094 -0.033 0.000 1.055 411 V CA 2.213 64.507 62.300 -0.010 0.000 1.038 411 V CB -0.948 30.914 31.823 0.065 0.000 0.651 411 V HN 0.793 nan 8.190 nan 0.000 0.450 412 E N 0.009 120.198 120.200 -0.019 0.000 2.047 412 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 412 E C 2.313 178.884 176.600 -0.049 0.000 0.987 412 E CA 1.271 57.665 56.400 -0.011 0.000 0.799 412 E CB -0.034 29.663 29.700 -0.004 0.000 0.752 412 E HN 0.560 nan 8.360 nan 0.000 0.449 413 K N 0.001 120.354 120.400 -0.077 0.000 2.148 413 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 413 K C 2.300 178.793 176.600 -0.177 0.000 1.050 413 K CA 1.140 57.368 56.287 -0.099 0.000 0.942 413 K CB 0.024 32.473 32.500 -0.084 0.000 0.724 413 K HN -0.010 nan 8.250 nan 0.000 0.446 414 S N 0.665 116.172 115.700 -0.322 0.000 2.383 414 S HA -0.076 4.394 4.470 -0.001 0.000 0.227 414 S C 2.045 176.306 174.600 -0.564 0.000 1.026 414 S CA 1.095 58.893 58.200 -0.671 0.000 0.981 414 S CB -0.039 62.354 63.200 -1.344 0.000 0.818 414 S HN 0.209 nan 8.310 nan 0.000 0.472 415 S N 1.135 116.690 115.700 -0.242 0.000 2.383 415 S HA -0.073 4.397 4.470 -0.001 0.000 0.227 415 S C 2.136 176.807 174.600 0.117 0.000 1.026 415 S CA 1.120 59.422 58.200 0.169 0.000 0.981 415 S CB -0.382 62.944 63.200 0.209 0.000 0.818 415 S HN 0.542 nan 8.310 nan 0.000 0.472 416 S N 0.866 116.579 115.700 0.022 0.000 2.368 416 S HA -0.074 4.396 4.470 -0.001 0.000 0.224 416 S C 2.095 176.704 174.600 0.015 0.000 1.029 416 S CA 1.527 59.739 58.200 0.020 0.000 0.988 416 S CB -0.465 62.724 63.200 -0.018 0.000 0.838 416 S HN 0.463 nan 8.310 nan 0.000 0.462 417 S N 1.204 116.891 115.700 -0.022 0.000 2.368 417 S HA -0.074 4.396 4.470 -0.001 0.000 0.224 417 S C 2.194 176.827 174.600 0.056 0.000 1.029 417 S CA 1.049 59.240 58.200 -0.015 0.000 0.988 417 S CB -0.564 62.601 63.200 -0.059 0.000 0.838 417 S HN 0.533 nan 8.310 nan 0.000 0.462 418 R N 1.170 121.745 120.500 0.124 0.000 2.091 418 R HA -0.111 4.228 4.340 -0.001 0.000 0.238 418 R C 1.375 177.803 176.300 0.213 0.000 1.136 418 R CA 2.181 58.421 56.100 0.233 0.000 0.959 418 R CB -1.217 29.337 30.300 0.423 0.000 0.856 418 R HN 0.376 nan 8.270 nan 0.000 0.437 419 D N 0.420 120.940 120.400 0.200 0.000 2.117 419 D HA -0.093 4.547 4.640 -0.001 0.000 0.197 419 D C 1.765 178.125 176.300 0.101 0.000 0.987 419 D CA 1.672 55.779 54.000 0.178 0.000 0.829 419 D CB -0.293 40.593 40.800 0.144 0.000 0.961 419 D HN 0.370 nan 8.370 nan 0.000 0.460 420 A N 0.617 123.475 122.820 0.063 0.000 1.933 420 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 420 A C 2.135 179.739 177.584 0.033 0.000 1.175 420 A CA 1.051 53.105 52.037 0.027 0.000 0.628 420 A CB -0.669 18.321 19.000 -0.017 0.000 0.814 420 A HN 0.271 nan 8.150 nan 0.000 0.444 421 L N -0.108 121.140 121.223 0.041 0.000 2.017 421 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 421 L C 2.319 179.199 176.870 0.017 0.000 1.073 421 L CA 1.970 56.810 54.840 -0.001 0.000 0.745 421 L CB -0.658 41.390 42.059 -0.018 0.000 0.894 421 L HN 0.125 nan 8.230 nan 0.000 0.432 422 V N 0.081 120.055 119.914 0.099 0.000 2.287 422 V HA -0.323 3.796 4.120 -0.001 0.000 0.248 422 V C 2.643 178.823 176.094 0.143 0.000 1.053 422 V CA 2.283 64.679 62.300 0.160 0.000 1.027 422 V CB -0.678 31.273 31.823 0.213 0.000 0.646 422 V HN 0.494 nan 8.190 nan 0.000 0.447 423 K N -0.011 120.446 120.400 0.095 0.000 2.147 423 K HA -0.103 4.217 4.320 -0.001 0.000 0.205 423 K C 2.259 178.928 176.600 0.115 0.000 1.049 423 K CA 1.366 57.718 56.287 0.108 0.000 0.936 423 K CB -0.357 32.185 32.500 0.071 0.000 0.722 423 K HN 0.493 nan 8.250 nan 0.000 0.446 424 A N 1.462 124.320 122.820 0.063 0.000 1.873 424 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 424 A C 2.133 179.712 177.584 -0.010 0.000 1.186 424 A CA 1.090 53.134 52.037 0.013 0.000 0.616 424 A CB -0.586 18.409 19.000 -0.008 0.000 0.823 424 A HN 0.135 nan 8.150 nan 0.000 0.442 425 L N -2.288 118.953 121.223 0.029 0.000 2.042 425 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 425 L C 2.571 179.500 176.870 0.098 0.000 1.076 425 L CA 1.907 56.767 54.840 0.034 0.000 0.749 425 L CB -0.543 41.557 42.059 0.068 0.000 0.893 425 L HN 0.582 nan 8.230 nan 0.000 0.432 426 Y N 0.209 120.555 120.300 0.077 0.000 2.163 426 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 426 Y C 2.365 178.306 175.900 0.069 0.000 1.136 426 Y CA 1.637 59.806 58.100 0.114 0.000 1.147 426 Y CB -0.424 38.127 38.460 0.152 0.000 0.987 426 Y HN 0.107 nan 8.280 nan 0.000 0.509 427 G N -0.284 108.608 108.800 0.154 0.000 2.418 427 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 427 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 427 G C 1.682 176.580 174.900 -0.003 0.000 1.158 427 G CA 0.789 45.927 45.100 0.062 0.000 0.771 427 G HN 0.318 nan 8.290 nan 0.000 0.545 428 R N -0.569 119.893 120.500 -0.064 0.000 2.092 428 R HA 0.033 4.373 4.340 -0.001 0.000 0.231 428 R C 2.446 178.690 176.300 -0.093 0.000 1.119 428 R CA 0.991 57.020 56.100 -0.119 0.000 0.970 428 R CB -0.487 29.653 30.300 -0.267 0.000 0.864 428 R HN 0.371 nan 8.270 nan 0.000 0.440 429 L N 0.284 121.434 121.223 -0.122 0.000 2.046 429 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 429 L C 1.931 178.698 176.870 -0.171 0.000 1.077 429 L CA 1.620 56.368 54.840 -0.152 0.000 0.747 429 L CB -0.568 41.368 42.059 -0.206 0.000 0.896 429 L HN 0.038 nan 8.230 nan 0.000 0.432 430 F N -0.452 119.276 119.950 -0.370 0.000 2.095 430 F HA -0.250 4.277 4.527 -0.001 0.000 0.298 430 F C 2.142 177.785 175.800 -0.262 0.000 1.104 430 F CA 1.857 59.620 58.000 -0.394 0.000 1.232 430 F CB -0.120 38.654 39.000 -0.378 0.000 0.987 430 F HN 0.047 nan 8.300 nan 0.000 0.475 431 L N -1.530 119.668 121.223 -0.042 0.000 2.083 431 L HA -0.237 4.102 4.340 -0.001 0.000 0.209 431 L C 2.247 179.028 176.870 -0.148 0.000 1.083 431 L CA 1.580 56.362 54.840 -0.096 0.000 0.752 431 L CB -0.930 41.102 42.059 -0.044 0.000 0.899 431 L HN 0.416 nan 8.230 nan 0.000 0.433 432 W N 0.899 122.030 121.300 -0.282 0.000 2.381 432 W HA -0.168 4.492 4.660 -0.000 0.000 0.301 432 W C 2.261 178.560 176.519 -0.367 0.000 1.205 432 W CA 1.264 58.433 57.345 -0.294 0.000 1.285 432 W CB -0.145 29.144 29.460 -0.284 0.000 1.133 432 W HN -0.062 nan 8.180 nan 0.000 0.521 433 L N -0.250 120.792 121.223 -0.301 0.000 2.012 433 L HA -0.290 4.050 4.340 -0.001 0.000 0.210 433 L C 2.298 178.874 176.870 -0.489 0.000 1.073 433 L CA 1.510 56.054 54.840 -0.493 0.000 0.748 433 L CB -1.408 40.313 42.059 -0.563 0.000 0.891 433 L HN -0.120 nan 8.230 nan 0.000 0.431 434 V N 0.054 119.671 119.914 -0.495 0.000 2.295 434 V HA -0.328 3.792 4.120 -0.001 0.000 0.246 434 V C 2.577 178.470 176.094 -0.334 0.000 1.049 434 V CA 2.088 64.158 62.300 -0.383 0.000 1.024 434 V CB -0.565 31.051 31.823 -0.345 0.000 0.648 434 V HN 0.461 nan 8.190 nan 0.000 0.447 435 K N 0.185 120.359 120.400 -0.378 0.000 2.063 435 K HA -0.286 4.034 4.320 -0.001 0.000 0.208 435 K C 2.236 178.571 176.600 -0.442 0.000 1.048 435 K CA 1.951 58.020 56.287 -0.363 0.000 0.928 435 K CB -0.124 32.160 32.500 -0.361 0.000 0.713 435 K HN 0.230 nan 8.250 nan 0.000 0.442 436 K N 1.000 120.988 120.400 -0.687 0.000 2.057 436 K HA -0.023 4.296 4.320 -0.001 0.000 0.206 436 K C 1.845 178.275 176.600 -0.284 0.000 1.050 436 K CA 1.290 57.168 56.287 -0.682 0.000 0.935 436 K CB -0.146 31.562 32.500 -1.321 0.000 0.715 436 K HN 0.208 nan 8.250 nan 0.000 0.439 437 I N 0.978 121.439 120.570 -0.182 0.000 2.286 437 I HA -0.277 3.893 4.170 -0.001 0.000 0.248 437 I C 1.407 177.449 176.117 -0.125 0.000 1.115 437 I CA 0.985 62.238 61.300 -0.080 0.000 1.392 437 I CB -0.287 37.651 38.000 -0.103 0.000 1.065 437 I HN 0.205 nan 8.210 nan 0.000 0.418 438 N N 0.739 119.340 118.700 -0.166 0.000 2.453 438 N HA -0.176 4.564 4.740 -0.001 0.000 0.183 438 N C 1.478 176.911 175.510 -0.129 0.000 1.041 438 N CA 0.719 53.685 53.050 -0.141 0.000 0.900 438 N CB -0.681 37.717 38.487 -0.149 0.000 0.961 438 N HN 0.457 nan 8.380 nan 0.000 0.443 439 N N 0.796 119.407 118.700 -0.148 0.000 2.223 439 N HA -0.124 4.616 4.740 -0.001 0.000 0.185 439 N C 1.524 176.979 175.510 -0.090 0.000 1.016 439 N CA 1.453 54.427 53.050 -0.125 0.000 0.863 439 N CB 0.372 38.769 38.487 -0.150 0.000 0.983 439 N HN 0.157 nan 8.380 nan 0.000 0.429 440 V N -1.873 117.992 119.914 -0.082 0.000 2.949 440 V HA 0.095 4.215 4.120 -0.001 0.000 0.245 440 V C 2.166 178.218 176.094 -0.071 0.000 1.086 440 V CA 0.439 62.699 62.300 -0.067 0.000 1.097 440 V CB -0.442 31.348 31.823 -0.056 0.000 0.762 440 V HN 0.089 nan 8.190 nan 0.000 0.470 441 L N 0.154 121.329 121.223 -0.081 0.000 2.156 441 L HA 0.071 4.410 4.340 -0.001 0.000 0.208 441 L C 1.548 178.371 176.870 -0.079 0.000 1.095 441 L CA 1.253 56.044 54.840 -0.082 0.000 0.770 441 L CB -0.207 41.798 42.059 -0.090 0.000 0.914 441 L HN 0.499 nan 8.230 nan 0.000 0.439 442 C N 0.817 120.070 119.300 -0.078 0.000 2.317 442 C HA 0.319 4.779 4.460 -0.001 0.000 0.306 442 C C 1.084 176.039 174.990 -0.058 0.000 1.087 442 C CA -0.416 58.560 59.018 -0.069 0.000 1.529 442 C CB -0.132 27.564 27.740 -0.074 0.000 1.880 442 C HN 0.430 nan 8.230 nan 0.000 0.417 443 Q N 1.901 121.672 119.800 -0.049 0.000 2.189 443 Q HA 0.257 4.597 4.340 -0.001 0.000 0.223 443 Q C -0.263 175.720 176.000 -0.029 0.000 0.828 443 Q CA 0.296 56.075 55.803 -0.040 0.000 0.967 443 Q CB 1.083 29.797 28.738 -0.040 0.000 1.139 443 Q HN 0.754 nan 8.270 nan 0.000 0.497 444 E N 0.803 120.989 120.200 -0.024 0.000 2.293 444 E HA 0.377 4.726 4.350 -0.001 0.000 0.270 444 E C -1.105 175.492 176.600 -0.005 0.000 0.879 444 E CA -1.076 55.318 56.400 -0.011 0.000 0.756 444 E CB 1.825 31.524 29.700 -0.002 0.000 1.208 444 E HN -0.158 nan 8.360 nan 0.000 0.428 445 R N 2.539 123.039 120.500 0.001 0.000 2.442 445 R HA 0.069 4.408 4.340 -0.001 0.000 0.291 445 R C -0.492 175.819 176.300 0.017 0.000 1.069 445 R CA -0.081 56.022 56.100 0.005 0.000 1.022 445 R CB 0.151 30.451 30.300 0.001 0.000 0.976 445 R HN 0.491 nan 8.270 nan 0.000 0.443 446 K N 2.965 123.384 120.400 0.032 0.000 2.126 446 K HA 0.483 4.803 4.320 -0.001 0.000 0.257 446 K C 0.040 176.647 176.600 0.012 0.000 1.007 446 K CA -0.088 56.236 56.287 0.062 0.000 0.928 446 K CB 1.332 33.908 32.500 0.127 0.000 1.013 446 K HN 0.458 nan 8.250 nan 0.000 0.473 447 A N 1.317 124.125 122.820 -0.020 0.000 1.963 447 A HA 0.227 4.547 4.320 -0.001 0.000 0.207 447 A C -0.202 177.051 177.584 -0.552 0.000 1.243 447 A CA 0.372 52.220 52.037 -0.315 0.000 0.728 447 A CB -0.185 18.623 19.000 -0.321 0.000 0.895 447 A HN 0.699 nan 8.150 nan 0.000 0.467 448 Y N -2.175 118.239 120.300 0.191 0.000 2.715 448 Y HA 0.594 5.143 4.550 -0.001 0.000 0.331 448 Y C -0.569 175.555 175.900 0.373 0.000 1.197 448 Y CA -1.377 56.816 58.100 0.156 0.000 1.079 448 Y CB 1.388 39.868 38.460 0.033 0.000 1.298 448 Y HN 0.353 nan 8.280 nan 0.000 0.477 449 F N -1.239 118.977 119.950 0.442 0.000 2.686 449 F HA 0.835 5.363 4.527 0.000 0.000 0.311 449 F C -2.115 173.887 175.800 0.337 0.000 1.128 449 F CA -1.432 56.816 58.000 0.412 0.000 0.946 449 F CB 1.416 40.547 39.000 0.219 0.000 1.336 449 F HN 0.237 nan 8.300 nan 0.000 0.457 450 I N 1.932 122.901 120.570 0.666 0.000 2.439 450 I HA 0.565 4.735 4.170 -0.001 0.000 0.283 450 I C -0.156 176.182 176.117 0.370 0.000 1.023 450 I CA -0.802 60.759 61.300 0.436 0.000 1.100 450 I CB 1.769 39.986 38.000 0.363 0.000 1.238 450 I HN 0.963 nan 8.210 nan 0.000 0.445 451 G N 5.581 114.570 108.800 0.315 0.000 2.379 451 G HA2 0.598 4.558 3.960 -0.001 0.000 0.327 451 G HA3 0.598 4.558 3.960 -0.001 0.000 0.327 451 G C -0.873 173.918 174.900 -0.182 0.000 1.145 451 G CA -0.370 44.535 45.100 -0.326 0.000 0.905 451 G HN 0.294 nan 8.290 nan 0.000 0.466 452 V N 2.988 122.763 119.914 -0.232 0.000 2.370 452 V HA 0.409 4.529 4.120 -0.001 0.000 0.279 452 V C -0.239 175.936 176.094 0.135 0.000 1.029 452 V CA -0.703 61.613 62.300 0.026 0.000 0.870 452 V CB 1.204 33.044 31.823 0.030 0.000 0.984 452 V HN 0.654 nan 8.190 nan 0.000 0.451 453 L N 6.332 127.735 121.223 0.300 0.000 2.307 453 L HA 0.742 5.081 4.340 -0.001 0.000 0.284 453 L C -0.557 176.418 176.870 0.176 0.000 1.023 453 L CA 0.144 55.191 54.840 0.346 0.000 0.810 453 L CB 1.629 43.872 42.059 0.306 0.000 1.231 453 L HN 0.841 nan 8.230 nan 0.000 0.423 454 D N 4.663 125.139 120.400 0.126 0.000 2.964 454 D HA 0.519 5.158 4.640 -0.001 0.000 0.234 454 D C -0.987 175.311 176.300 -0.002 0.000 1.223 454 D CA -0.363 53.673 54.000 0.060 0.000 0.889 454 D CB 2.086 42.910 40.800 0.040 0.000 1.609 454 D HN 0.384 nan 8.370 nan 0.000 0.523 455 I N -1.187 119.379 120.570 -0.006 0.000 3.264 455 I HA 0.404 4.574 4.170 -0.001 0.000 0.315 455 I C 0.172 176.275 176.117 -0.023 0.000 1.154 455 I CA -1.177 60.099 61.300 -0.040 0.000 0.962 455 I CB 1.115 39.106 38.000 -0.015 0.000 1.265 455 I HN 0.212 nan 8.210 nan 0.000 0.463 456 S N 1.302 116.992 115.700 -0.017 0.000 2.563 456 S HA 0.408 4.878 4.470 -0.001 0.000 0.294 456 S C 0.459 175.074 174.600 0.026 0.000 1.279 456 S CA -0.060 58.145 58.200 0.009 0.000 1.069 456 S CB -0.155 63.064 63.200 0.033 0.000 0.828 456 S HN 1.007 nan 8.310 nan 0.000 0.497 457 G N 1.268 110.086 108.800 0.030 0.000 2.572 457 G HA2 0.404 4.364 3.960 -0.001 0.000 0.261 457 G HA3 0.404 4.364 3.960 -0.001 0.000 0.261 457 G C -0.376 174.549 174.900 0.042 0.000 1.197 457 G CA -0.735 44.401 45.100 0.061 0.000 0.870 457 G HN 0.597 nan 8.290 nan 0.000 0.548 458 F N 0.096 120.024 119.950 -0.037 0.000 2.623 458 F HA 0.156 4.683 4.527 -0.001 0.000 0.383 458 F C 0.761 176.450 175.800 -0.185 0.000 1.077 458 F CA 0.575 58.510 58.000 -0.110 0.000 1.268 458 F CB 0.603 39.527 39.000 -0.127 0.000 1.053 458 F HN 0.452 nan 8.300 nan 0.000 0.571 459 E N 6.786 126.625 120.200 -0.602 0.000 2.224 459 E HA 0.518 4.868 4.350 -0.001 0.000 0.265 459 E C -1.445 174.761 176.600 -0.657 0.000 0.878 459 E CA -0.641 55.417 56.400 -0.569 0.000 0.759 459 E CB 1.012 30.374 29.700 -0.564 0.000 1.164 459 E HN 0.619 nan 8.360 nan 0.000 0.414 460 I N 5.244 125.465 120.570 -0.583 0.000 2.468 460 I HA 0.367 4.537 4.170 -0.001 0.000 0.285 460 I C -1.074 174.807 176.117 -0.394 0.000 1.039 460 I CA -0.636 60.415 61.300 -0.414 0.000 1.074 460 I CB 0.704 38.610 38.000 -0.158 0.000 1.228 460 I HN 0.439 nan 8.210 nan 0.000 0.436 461 F N 3.840 123.745 119.950 -0.076 0.000 2.572 461 F HA 0.434 4.961 4.527 -0.000 0.000 0.342 461 F C 1.369 177.137 175.800 -0.054 0.000 1.064 461 F CA -1.068 56.903 58.000 -0.048 0.000 1.008 461 F CB 0.840 39.822 39.000 -0.030 0.000 1.303 461 F HN 0.322 nan 8.300 nan 0.000 0.492 462 K N 0.292 120.807 120.400 0.193 0.000 2.063 462 K HA 0.002 4.322 4.320 -0.001 0.000 0.208 462 K C -0.439 176.200 176.600 0.065 0.000 1.048 462 K CA 1.537 57.873 56.287 0.082 0.000 0.928 462 K CB -0.229 32.306 32.500 0.058 0.000 0.713 462 K HN 0.283 nan 8.250 nan 0.000 0.442 463 V N 2.495 122.470 119.914 0.101 0.000 2.444 463 V HA 0.325 4.445 4.120 -0.001 0.000 0.294 463 V C -1.128 175.055 176.094 0.148 0.000 1.022 463 V CA -1.093 61.259 62.300 0.086 0.000 0.850 463 V CB 1.502 33.372 31.823 0.078 0.000 0.992 463 V HN 0.232 nan 8.190 nan 0.000 0.426 464 N N 2.539 121.301 118.700 0.103 0.000 2.399 464 N HA 0.551 5.291 4.740 -0.001 0.000 0.295 464 N C -0.249 175.460 175.510 0.331 0.000 1.048 464 N CA -0.155 52.994 53.050 0.164 0.000 0.886 464 N CB 2.318 40.736 38.487 -0.116 0.000 1.185 464 N HN 0.630 nan 8.380 nan 0.000 0.487 465 S N 0.424 116.360 115.700 0.394 0.000 2.786 465 S HA 0.359 4.829 4.470 -0.001 0.000 0.302 465 S C 0.961 175.785 174.600 0.374 0.000 1.080 465 S CA -0.552 57.957 58.200 0.515 0.000 0.925 465 S CB 0.319 63.737 63.200 0.363 0.000 1.325 465 S HN 0.425 nan 8.310 nan 0.000 0.576 466 F N 2.065 121.861 119.950 -0.256 0.000 2.120 466 F HA -0.084 4.442 4.527 -0.000 0.000 0.300 466 F C 1.956 177.489 175.800 -0.444 0.000 1.095 466 F CA 2.519 59.955 58.000 -0.939 0.000 1.249 466 F CB -0.661 37.607 39.000 -1.221 0.000 0.995 466 F HN 0.647 nan 8.300 nan 0.000 0.480 467 E N -0.026 120.029 120.200 -0.241 0.000 2.085 467 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 467 E C 2.086 178.565 176.600 -0.202 0.000 0.994 467 E CA 1.671 57.929 56.400 -0.238 0.000 0.801 467 E CB -0.352 29.343 29.700 -0.007 0.000 0.743 467 E HN 0.440 nan 8.360 nan 0.000 0.453 468 Q N -0.166 119.611 119.800 -0.038 0.000 2.119 468 Q HA -0.058 4.282 4.340 -0.001 0.000 0.201 468 Q C 2.056 178.038 176.000 -0.029 0.000 0.972 468 Q CA 0.677 56.483 55.803 0.005 0.000 0.847 468 Q CB -0.288 28.537 28.738 0.144 0.000 0.903 468 Q HN 0.237 nan 8.270 nan 0.000 0.433 469 L N -0.300 120.856 121.223 -0.112 0.000 2.046 469 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 469 L C 1.871 178.538 176.870 -0.337 0.000 1.077 469 L CA 1.724 56.341 54.840 -0.371 0.000 0.747 469 L CB -0.752 40.945 42.059 -0.604 0.000 0.896 469 L HN 0.286 nan 8.230 nan 0.000 0.432 470 C N -0.376 118.551 119.300 -0.622 0.000 2.413 470 C HA -0.173 4.287 4.460 -0.001 0.000 0.277 470 C C 2.723 177.545 174.990 -0.279 0.000 1.228 470 C CA 1.067 59.617 59.018 -0.780 0.000 1.731 470 C CB -0.952 25.891 27.740 -1.496 0.000 2.042 470 C HN 0.592 nan 8.230 nan 0.000 0.468 471 I N 1.455 121.906 120.570 -0.197 0.000 2.163 471 I HA -0.221 3.949 4.170 -0.001 0.000 0.243 471 I C 2.082 178.141 176.117 -0.098 0.000 1.085 471 I CA 1.558 62.818 61.300 -0.068 0.000 1.347 471 I CB -0.538 37.399 38.000 -0.106 0.000 1.044 471 I HN 0.431 nan 8.210 nan 0.000 0.408 472 N N -0.105 118.463 118.700 -0.220 0.000 2.331 472 N HA -0.202 4.537 4.740 -0.001 0.000 0.180 472 N C 1.703 177.265 175.510 0.086 0.000 1.019 472 N CA 0.957 53.800 53.050 -0.344 0.000 0.881 472 N CB -0.408 37.570 38.487 -0.847 0.000 0.972 472 N HN 0.398 nan 8.380 nan 0.000 0.435 473 Y N 2.012 122.337 120.300 0.042 0.000 2.200 473 Y HA -0.085 4.465 4.550 -0.000 0.000 0.290 473 Y C 2.119 178.124 175.900 0.176 0.000 1.137 473 Y CA 1.320 59.512 58.100 0.154 0.000 1.163 473 Y CB -0.777 37.712 38.460 0.050 0.000 0.988 473 Y HN -0.064 nan 8.280 nan 0.000 0.518 474 T N 1.357 115.876 114.554 -0.059 0.000 2.684 474 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 474 T C 1.779 176.482 174.700 0.004 0.000 1.036 474 T CA 1.706 63.739 62.100 -0.112 0.000 1.148 474 T CB -0.339 68.546 68.868 0.029 0.000 0.863 474 T HN 0.451 nan 8.240 nan 0.000 0.436 475 N N 0.529 119.311 118.700 0.138 0.000 2.166 475 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 475 N C 2.030 177.765 175.510 0.376 0.000 1.019 475 N CA 1.104 54.328 53.050 0.291 0.000 0.856 475 N CB -0.202 38.564 38.487 0.466 0.000 0.993 475 N HN 0.433 nan 8.380 nan 0.000 0.426 476 E N 1.470 121.938 120.200 0.446 0.000 2.077 476 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 476 E C 1.718 178.457 176.600 0.232 0.000 0.989 476 E CA 1.200 57.882 56.400 0.470 0.000 0.800 476 E CB 0.150 30.193 29.700 0.573 0.000 0.746 476 E HN 0.091 nan 8.360 nan 0.000 0.452 477 K N -0.006 120.455 120.400 0.101 0.000 2.057 477 K HA -0.072 4.248 4.320 -0.001 0.000 0.206 477 K C 2.233 178.893 176.600 0.101 0.000 1.050 477 K CA 0.891 57.204 56.287 0.044 0.000 0.935 477 K CB -0.328 32.087 32.500 -0.142 0.000 0.715 477 K HN 0.284 nan 8.250 nan 0.000 0.439 478 L N 0.815 122.090 121.223 0.087 0.000 2.141 478 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 478 L C 2.638 179.669 176.870 0.269 0.000 1.094 478 L CA 0.921 55.864 54.840 0.171 0.000 0.763 478 L CB -0.297 41.842 42.059 0.132 0.000 0.908 478 L HN 0.138 nan 8.230 nan 0.000 0.437 479 Q N 0.312 120.168 119.800 0.092 0.000 2.172 479 Q HA -0.236 4.103 4.340 -0.001 0.000 0.200 479 Q C 2.107 178.191 176.000 0.139 0.000 0.964 479 Q CA 1.541 57.318 55.803 -0.045 0.000 0.855 479 Q CB -0.126 28.227 28.738 -0.642 0.000 0.918 479 Q HN 0.441 nan 8.270 nan 0.000 0.444 480 Q N -1.103 118.801 119.800 0.173 0.000 2.124 480 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 480 Q C 1.854 178.024 176.000 0.283 0.000 0.977 480 Q CA 1.480 57.410 55.803 0.211 0.000 0.850 480 Q CB -0.320 28.531 28.738 0.189 0.000 0.901 480 Q HN 0.531 nan 8.270 nan 0.000 0.429 481 F N 0.262 120.314 119.950 0.170 0.000 2.126 481 F HA -0.248 4.279 4.527 -0.001 0.000 0.299 481 F C 1.838 177.803 175.800 0.274 0.000 1.096 481 F CA 1.646 59.776 58.000 0.216 0.000 1.255 481 F CB -0.345 38.774 39.000 0.198 0.000 0.997 481 F HN 0.238 nan 8.300 nan 0.000 0.479 482 F N 1.587 121.609 119.950 0.119 0.000 2.102 482 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 482 F C 2.123 177.805 175.800 -0.197 0.000 1.105 482 F CA 2.088 59.895 58.000 -0.323 0.000 1.239 482 F CB -0.867 37.817 39.000 -0.526 0.000 0.991 482 F HN -0.089 nan 8.300 nan 0.000 0.474 483 N N -0.311 118.444 118.700 0.093 0.000 2.104 483 N HA -0.252 4.488 4.740 -0.001 0.000 0.190 483 N C 2.059 177.636 175.510 0.111 0.000 1.024 483 N CA 1.647 54.781 53.050 0.140 0.000 0.853 483 N CB -0.945 37.701 38.487 0.264 0.000 1.008 483 N HN 0.523 nan 8.380 nan 0.000 0.424 484 H N -0.781 118.291 119.070 0.003 0.000 2.357 484 H HA -0.104 4.452 4.556 -0.001 0.000 0.301 484 H C 1.797 177.115 175.328 -0.017 0.000 1.082 484 H CA 1.550 57.608 56.048 0.018 0.000 1.342 484 H CB 0.048 29.819 29.762 0.015 0.000 1.389 484 H HN 0.312 nan 8.280 nan 0.000 0.511 485 H N 0.451 119.322 119.070 -0.331 0.000 2.357 485 H HA -0.095 4.461 4.556 -0.001 0.000 0.301 485 H C 2.655 177.740 175.328 -0.405 0.000 1.082 485 H CA 1.806 57.612 56.048 -0.403 0.000 1.342 485 H CB -0.266 29.246 29.762 -0.416 0.000 1.389 485 H HN 0.333 nan 8.280 nan 0.000 0.511 486 M N -0.957 118.319 119.600 -0.540 0.000 2.108 486 M HA -0.172 4.308 4.480 -0.001 0.000 0.261 486 M C 1.862 178.093 176.300 -0.116 0.000 1.066 486 M CA 1.851 56.896 55.300 -0.424 0.000 1.107 486 M CB -0.289 32.054 32.600 -0.427 0.000 1.356 486 M HN 0.351 nan 8.290 nan 0.000 0.406 487 F N 1.282 121.090 119.950 -0.236 0.000 2.065 487 F HA -0.261 4.266 4.527 0.000 0.000 0.298 487 F C 2.007 177.587 175.800 -0.367 0.000 1.112 487 F CA 2.126 59.786 58.000 -0.567 0.000 1.212 487 F CB -0.499 38.021 39.000 -0.800 0.000 0.975 487 F HN 0.079 nan 8.300 nan 0.000 0.476 488 K N 0.222 120.230 120.400 -0.653 0.000 2.063 488 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 488 K C 2.176 178.484 176.600 -0.487 0.000 1.048 488 K CA 1.903 57.805 56.287 -0.642 0.000 0.928 488 K CB -0.453 31.772 32.500 -0.458 0.000 0.713 488 K HN 0.367 nan 8.250 nan 0.000 0.442 489 L N 0.875 121.823 121.223 -0.458 0.000 2.056 489 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 489 L C 2.412 179.205 176.870 -0.127 0.000 1.078 489 L CA 1.036 55.694 54.840 -0.302 0.000 0.749 489 L CB -0.344 41.514 42.059 -0.336 0.000 0.901 489 L HN 0.204 nan 8.230 nan 0.000 0.433 490 E N -0.075 120.090 120.200 -0.058 0.000 2.072 490 E HA -0.258 4.092 4.350 -0.001 0.000 0.191 490 E C 2.054 178.869 176.600 0.360 0.000 0.985 490 E CA 0.984 57.520 56.400 0.227 0.000 0.801 490 E CB -0.102 29.782 29.700 0.306 0.000 0.750 490 E HN 0.499 nan 8.360 nan 0.000 0.452 491 Q N 0.551 120.354 119.800 0.006 0.000 2.061 491 Q HA -0.241 4.099 4.340 -0.001 0.000 0.204 491 Q C 2.061 178.028 176.000 -0.055 0.000 0.984 491 Q CA 1.937 57.634 55.803 -0.177 0.000 0.846 491 Q CB 0.006 28.342 28.738 -0.671 0.000 0.902 491 Q HN 0.038 nan 8.270 nan 0.000 0.421 492 E N 0.290 120.436 120.200 -0.091 0.000 2.077 492 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 492 E C 1.706 178.330 176.600 0.040 0.000 0.989 492 E CA 1.472 57.843 56.400 -0.048 0.000 0.800 492 E CB 0.027 29.678 29.700 -0.081 0.000 0.746 492 E HN 0.340 nan 8.360 nan 0.000 0.452 493 E N -0.471 119.794 120.200 0.107 0.000 2.077 493 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 493 E C 2.143 178.845 176.600 0.170 0.000 0.989 493 E CA 1.115 57.596 56.400 0.135 0.000 0.800 493 E CB -0.507 29.278 29.700 0.141 0.000 0.746 493 E HN 0.484 nan 8.360 nan 0.000 0.452 494 Y N 0.987 121.390 120.300 0.172 0.000 2.242 494 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 494 Y C 2.483 178.357 175.900 -0.042 0.000 1.137 494 Y CA 0.785 58.941 58.100 0.094 0.000 1.181 494 Y CB -0.202 38.402 38.460 0.240 0.000 0.989 494 Y HN -0.038 nan 8.280 nan 0.000 0.527 495 L N -0.068 121.222 121.223 0.112 0.000 2.056 495 L HA -0.228 4.111 4.340 -0.001 0.000 0.207 495 L C 2.465 179.329 176.870 -0.010 0.000 1.078 495 L CA 1.515 56.359 54.840 0.007 0.000 0.749 495 L CB -0.428 41.609 42.059 -0.036 0.000 0.901 495 L HN 0.130 nan 8.230 nan 0.000 0.433 496 K N -0.003 120.399 120.400 0.003 0.000 2.147 496 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 496 K C 1.687 178.278 176.600 -0.014 0.000 1.049 496 K CA 1.250 57.535 56.287 -0.003 0.000 0.936 496 K CB 0.162 32.669 32.500 0.012 0.000 0.722 496 K HN 0.175 nan 8.250 nan 0.000 0.446 497 E N 0.485 120.660 120.200 -0.042 0.000 2.479 497 E HA -0.014 4.335 4.350 -0.001 0.000 0.193 497 E C -0.307 176.216 176.600 -0.128 0.000 1.049 497 E CA 0.145 56.487 56.400 -0.096 0.000 0.870 497 E CB 0.566 30.142 29.700 -0.207 0.000 0.944 497 E HN 0.113 nan 8.360 nan 0.000 0.492 498 K N 0.667 121.014 120.400 -0.090 0.000 3.096 498 K HA -0.158 4.161 4.320 -0.001 0.000 0.266 498 K C -0.351 176.184 176.600 -0.109 0.000 1.043 498 K CA 0.253 56.497 56.287 -0.072 0.000 0.758 498 K CB -1.378 31.095 32.500 -0.046 0.000 1.260 498 K HN 0.139 nan 8.250 nan 0.000 0.481 499 I N 0.784 121.252 120.570 -0.170 0.000 2.496 499 I HA -0.004 4.166 4.170 -0.001 0.000 0.285 499 I C 1.205 177.300 176.117 -0.036 0.000 1.080 499 I CA 0.103 61.266 61.300 -0.229 0.000 1.404 499 I CB 1.044 38.775 38.000 -0.450 0.000 1.403 499 I HN 0.266 nan 8.210 nan 0.000 0.539 500 N N 7.857 126.533 118.700 -0.040 0.000 2.971 500 N HA 0.019 4.759 4.740 -0.001 0.000 0.294 500 N C -1.168 174.457 175.510 0.193 0.000 1.210 500 N CA -0.148 52.926 53.050 0.041 0.000 1.157 500 N CB 0.381 38.882 38.487 0.024 0.000 1.450 500 N HN 0.557 nan 8.380 nan 0.000 0.527 501 W N 2.785 124.076 121.300 -0.015 0.000 3.573 501 W HA 0.161 4.820 4.660 -0.001 0.000 0.306 501 W C -1.596 174.922 176.519 -0.001 0.000 1.227 501 W CA -0.575 56.813 57.345 0.071 0.000 1.212 501 W CB 1.538 31.118 29.460 0.199 0.000 1.331 501 W HN 0.165 nan 8.180 nan 0.000 0.524 502 T N 2.135 116.276 114.554 -0.688 0.000 2.916 502 T HA 0.870 5.220 4.350 -0.001 0.000 0.292 502 T C -0.980 173.280 174.700 -0.733 0.000 1.055 502 T CA -0.483 61.201 62.100 -0.693 0.000 1.009 502 T CB 2.480 71.076 68.868 -0.454 0.000 1.118 502 T HN 0.575 nan 8.240 nan 0.000 0.497 503 F N -0.356 119.368 119.950 -0.376 0.000 2.713 503 F HA 0.773 5.300 4.527 -0.001 0.000 0.311 503 F C -1.061 174.715 175.800 -0.039 0.000 1.141 503 F CA -1.779 56.102 58.000 -0.199 0.000 0.939 503 F CB 0.815 39.824 39.000 0.014 0.000 1.325 503 F HN 0.821 nan 8.300 nan 0.000 0.453 504 I N -1.415 119.244 120.570 0.149 0.000 3.076 504 I HA 0.570 4.739 4.170 -0.001 0.000 0.313 504 I C -0.338 175.442 176.117 -0.561 0.000 1.053 504 I CA -0.975 60.259 61.300 -0.109 0.000 1.048 504 I CB 1.312 39.233 38.000 -0.132 0.000 1.264 504 I HN 0.649 nan 8.210 nan 0.000 0.498 505 D N 1.672 121.301 120.400 -1.286 0.000 2.554 505 D HA -0.065 4.575 4.640 -0.001 0.000 0.251 505 D C 0.690 176.573 176.300 -0.695 0.000 1.213 505 D CA 0.645 53.524 54.000 -1.868 0.000 0.900 505 D CB 0.001 40.196 40.800 -1.007 0.000 1.135 505 D HN 0.486 nan 8.370 nan 0.000 0.522 506 F N 2.151 121.892 119.950 -0.348 0.000 2.250 506 F HA -0.068 4.459 4.527 -0.000 0.000 0.301 506 F C 2.540 178.327 175.800 -0.021 0.000 1.077 506 F CA 0.333 58.298 58.000 -0.059 0.000 1.348 506 F CB -0.041 38.985 39.000 0.042 0.000 1.040 506 F HN 0.529 nan 8.300 nan 0.000 0.509 507 G N 0.691 109.560 108.800 0.115 0.000 2.462 507 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.220 507 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.220 507 G C 1.610 176.566 174.900 0.094 0.000 1.121 507 G CA 0.501 45.686 45.100 0.142 0.000 0.758 507 G HN 0.331 nan 8.290 nan 0.000 0.559 508 L N 0.436 121.680 121.223 0.033 0.000 2.191 508 L HA -0.055 4.285 4.340 -0.001 0.000 0.212 508 L C 2.077 178.994 176.870 0.079 0.000 1.103 508 L CA 0.769 55.631 54.840 0.036 0.000 0.769 508 L CB -0.283 41.770 42.059 -0.009 0.000 0.908 508 L HN 0.072 nan 8.230 nan 0.000 0.438 509 D N -0.683 119.784 120.400 0.110 0.000 2.309 509 D HA -0.123 4.517 4.640 -0.001 0.000 0.212 509 D C 2.128 178.508 176.300 0.132 0.000 0.968 509 D CA 0.926 54.999 54.000 0.121 0.000 0.882 509 D CB 0.087 40.969 40.800 0.136 0.000 0.918 509 D HN 0.153 nan 8.370 nan 0.000 0.503 510 S N -0.205 115.581 115.700 0.143 0.000 2.517 510 S HA -0.025 4.445 4.470 -0.001 0.000 0.214 510 S C 1.664 176.355 174.600 0.152 0.000 0.991 510 S CA -0.111 58.191 58.200 0.169 0.000 0.906 510 S CB 0.368 63.678 63.200 0.185 0.000 0.789 510 S HN 0.057 nan 8.310 nan 0.000 0.513 511 Q N 2.514 122.385 119.800 0.119 0.000 2.124 511 Q HA 0.036 4.376 4.340 -0.001 0.000 0.202 511 Q C 2.077 178.137 176.000 0.099 0.000 0.977 511 Q CA 1.701 57.567 55.803 0.104 0.000 0.850 511 Q CB -0.608 28.175 28.738 0.076 0.000 0.901 511 Q HN 0.531 nan 8.270 nan 0.000 0.429 512 A N -1.003 121.872 122.820 0.093 0.000 1.902 512 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 512 A C 2.265 179.893 177.584 0.075 0.000 1.181 512 A CA 2.056 54.142 52.037 0.080 0.000 0.623 512 A CB -0.962 18.087 19.000 0.081 0.000 0.818 512 A HN 0.464 nan 8.150 nan 0.000 0.443 513 T N 0.094 114.708 114.554 0.100 0.000 2.812 513 T HA -0.017 4.332 4.350 -0.001 0.000 0.264 513 T C 1.814 176.582 174.700 0.113 0.000 1.042 513 T CA 1.355 63.510 62.100 0.091 0.000 1.140 513 T CB -0.355 68.596 68.868 0.138 0.000 0.870 513 T HN 0.405 nan 8.240 nan 0.000 0.445 514 I N 1.389 122.063 120.570 0.173 0.000 2.179 514 I HA -0.178 3.992 4.170 -0.001 0.000 0.242 514 I C 2.261 178.449 176.117 0.118 0.000 1.088 514 I CA 1.211 62.646 61.300 0.224 0.000 1.357 514 I CB -0.334 37.815 38.000 0.249 0.000 1.051 514 I HN 0.118 nan 8.210 nan 0.000 0.409 515 D N 0.611 121.061 120.400 0.083 0.000 2.144 515 D HA -0.167 4.473 4.640 -0.001 0.000 0.199 515 D C 1.989 178.278 176.300 -0.019 0.000 0.984 515 D CA 0.993 55.021 54.000 0.047 0.000 0.834 515 D CB -0.294 40.541 40.800 0.058 0.000 0.955 515 D HN 0.177 nan 8.370 nan 0.000 0.465 516 L N 0.503 121.686 121.223 -0.067 0.000 2.083 516 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 516 L C 1.905 178.595 176.870 -0.301 0.000 1.083 516 L CA 1.452 56.139 54.840 -0.254 0.000 0.752 516 L CB -0.321 41.599 42.059 -0.232 0.000 0.899 516 L HN 0.007 nan 8.230 nan 0.000 0.433 517 I N -0.262 120.202 120.570 -0.178 0.000 2.296 517 I HA -0.086 4.083 4.170 -0.001 0.000 0.242 517 I C 1.181 177.132 176.117 -0.276 0.000 1.087 517 I CA 1.285 62.439 61.300 -0.244 0.000 1.393 517 I CB -0.278 37.539 38.000 -0.306 0.000 1.093 517 I HN 0.382 nan 8.210 nan 0.000 0.421 518 D N 0.341 120.607 120.400 -0.222 0.000 2.535 518 D HA 0.110 4.750 4.640 -0.001 0.000 0.229 518 D C 0.712 177.004 176.300 -0.015 0.000 1.238 518 D CA -0.198 53.714 54.000 -0.147 0.000 0.824 518 D CB -0.346 40.367 40.800 -0.146 0.000 1.045 518 D HN 0.080 nan 8.370 nan 0.000 0.500 519 G N 0.259 109.060 108.800 0.001 0.000 2.614 519 G HA2 0.175 4.135 3.960 -0.001 0.000 0.239 519 G HA3 0.175 4.135 3.960 -0.001 0.000 0.239 519 G C 0.606 175.532 174.900 0.044 0.000 1.240 519 G CA -0.565 44.560 45.100 0.041 0.000 0.842 519 G HN 0.166 nan 8.290 nan 0.000 0.584 520 R N -0.742 119.787 120.500 0.048 0.000 2.257 520 R HA 0.128 4.467 4.340 -0.001 0.000 0.195 520 R C 0.306 176.634 176.300 0.047 0.000 0.921 520 R CA 0.176 56.301 56.100 0.042 0.000 1.069 520 R CB 0.513 30.835 30.300 0.036 0.000 1.115 520 R HN 0.490 nan 8.270 nan 0.000 0.571 521 Q N 1.534 121.365 119.800 0.051 0.000 2.589 521 Q HA 0.247 4.586 4.340 -0.001 0.000 0.245 521 Q C -2.547 173.487 176.000 0.056 0.000 0.931 521 Q CA -1.644 54.189 55.803 0.050 0.000 0.730 521 Q CB 1.357 30.117 28.738 0.037 0.000 1.315 521 Q HN -0.041 nan 8.270 nan 0.000 0.469 522 P HA 0.306 nan 4.420 nan 0.000 0.271 522 P C -2.619 174.752 177.300 0.119 0.000 1.218 522 P CA -1.174 61.982 63.100 0.094 0.000 0.780 522 P CB 0.327 32.090 31.700 0.106 0.000 0.901 523 P HA 0.029 nan 4.420 nan 0.000 0.264 523 P C 0.382 177.790 177.300 0.178 0.000 1.193 523 P CA 0.391 63.545 63.100 0.089 0.000 0.763 523 P CB 0.615 32.330 31.700 0.026 0.000 0.810 524 G N 2.097 110.973 108.800 0.126 0.000 2.531 524 G HA2 0.308 4.267 3.960 -0.001 0.000 0.281 524 G HA3 0.308 4.267 3.960 -0.001 0.000 0.281 524 G C 1.159 176.124 174.900 0.108 0.000 1.382 524 G CA -0.869 44.302 45.100 0.119 0.000 1.045 524 G HN 0.364 nan 8.290 nan 0.000 0.533 525 I N -0.266 120.263 120.570 -0.067 0.000 2.118 525 I HA -0.200 3.969 4.170 -0.001 0.000 0.241 525 I C 2.705 178.836 176.117 0.023 0.000 1.070 525 I CA 1.104 62.386 61.300 -0.029 0.000 1.327 525 I CB -0.244 37.698 38.000 -0.097 0.000 1.034 525 I HN 0.284 nan 8.210 nan 0.000 0.405 526 L N 0.318 121.533 121.223 -0.013 0.000 2.083 526 L HA -0.209 4.131 4.340 -0.001 0.000 0.209 526 L C 2.835 179.713 176.870 0.014 0.000 1.083 526 L CA 1.293 56.144 54.840 0.019 0.000 0.752 526 L CB -0.821 41.215 42.059 -0.038 0.000 0.899 526 L HN 0.279 nan 8.230 nan 0.000 0.433 527 A N 0.216 123.035 122.820 -0.002 0.000 1.930 527 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 527 A C 2.224 179.789 177.584 -0.031 0.000 1.175 527 A CA 1.295 53.327 52.037 -0.008 0.000 0.627 527 A CB -0.549 18.451 19.000 0.000 0.000 0.815 527 A HN 0.377 nan 8.150 nan 0.000 0.443 528 L N -1.044 120.150 121.223 -0.049 0.000 2.156 528 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 528 L C 2.463 179.302 176.870 -0.052 0.000 1.095 528 L CA 0.644 55.420 54.840 -0.107 0.000 0.770 528 L CB -0.463 41.466 42.059 -0.218 0.000 0.914 528 L HN 0.449 nan 8.230 nan 0.000 0.439 529 L N 0.013 121.236 121.223 0.000 0.000 2.056 529 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 529 L C 1.969 178.835 176.870 -0.007 0.000 1.078 529 L CA 1.896 56.755 54.840 0.032 0.000 0.749 529 L CB -0.617 41.501 42.059 0.098 0.000 0.901 529 L HN 0.137 nan 8.230 nan 0.000 0.433 530 D N -0.263 120.127 120.400 -0.017 0.000 2.117 530 D HA -0.187 4.453 4.640 -0.001 0.000 0.197 530 D C 2.128 178.397 176.300 -0.052 0.000 0.987 530 D CA 1.328 55.302 54.000 -0.044 0.000 0.829 530 D CB -0.005 40.768 40.800 -0.045 0.000 0.961 530 D HN 0.505 nan 8.370 nan 0.000 0.460 531 E N 0.111 120.289 120.200 -0.036 0.000 2.085 531 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 531 E C 1.762 178.365 176.600 0.005 0.000 0.994 531 E CA 0.714 57.104 56.400 -0.017 0.000 0.801 531 E CB 0.122 29.814 29.700 -0.013 0.000 0.743 531 E HN 0.247 nan 8.360 nan 0.000 0.453 532 Q N -0.385 119.413 119.800 -0.003 0.000 2.482 532 Q HA 0.045 4.384 4.340 -0.001 0.000 0.209 532 Q C 1.227 177.230 176.000 0.005 0.000 0.961 532 Q CA 0.392 56.205 55.803 0.017 0.000 0.945 532 Q CB 0.681 29.419 28.738 -0.000 0.000 1.012 532 Q HN 0.052 nan 8.270 nan 0.000 0.515 533 S N -0.517 115.165 115.700 -0.031 0.000 2.556 533 S HA 0.071 4.541 4.470 -0.001 0.000 0.216 533 S C 1.686 176.228 174.600 -0.097 0.000 0.970 533 S CA -0.131 58.045 58.200 -0.040 0.000 0.912 533 S CB 0.572 63.748 63.200 -0.041 0.000 0.790 533 S HN 0.078 nan 8.310 nan 0.000 0.504 534 V N 0.416 120.217 119.914 -0.188 0.000 2.492 534 V HA 0.217 4.336 4.120 -0.001 0.000 0.241 534 V C 0.214 175.959 176.094 -0.582 0.000 1.041 534 V CA 1.006 63.028 62.300 -0.462 0.000 1.057 534 V CB -0.210 31.162 31.823 -0.752 0.000 0.711 534 V HN 0.352 nan 8.190 nan 0.000 0.468 535 F N 0.809 120.761 119.950 0.004 0.000 2.458 535 F HA 0.468 4.995 4.527 -0.000 0.000 0.330 535 F C -1.235 174.568 175.800 0.004 0.000 1.082 535 F CA -2.432 55.570 58.000 0.004 0.000 0.995 535 F CB 0.452 39.451 39.000 -0.002 0.000 1.170 535 F HN -0.069 nan 8.300 nan 0.000 0.478 536 P HA -0.037 nan 4.420 nan 0.000 0.242 536 P C 0.237 177.590 177.300 0.089 0.000 1.197 536 P CA 0.893 64.056 63.100 0.105 0.000 0.765 536 P CB 0.161 31.909 31.700 0.080 0.000 0.936 537 N N 0.406 119.171 118.700 0.109 0.000 2.331 537 N HA -0.014 4.726 4.740 -0.001 0.000 0.180 537 N C 0.982 176.522 175.510 0.050 0.000 1.019 537 N CA 0.208 53.294 53.050 0.059 0.000 0.881 537 N CB -0.037 38.472 38.487 0.036 0.000 0.972 537 N HN 0.177 nan 8.380 nan 0.000 0.435 538 A N 1.353 124.215 122.820 0.070 0.000 2.386 538 A HA 0.383 4.702 4.320 -0.001 0.000 0.248 538 A C 0.721 178.322 177.584 0.028 0.000 1.082 538 A CA 0.028 52.092 52.037 0.045 0.000 0.789 538 A CB 0.376 19.408 19.000 0.054 0.000 1.025 538 A HN 0.290 nan 8.150 nan 0.000 0.490 539 T N -2.041 112.521 114.554 0.013 0.000 2.812 539 T HA 0.444 4.793 4.350 -0.001 0.000 0.294 539 T C -0.013 174.685 174.700 -0.004 0.000 1.159 539 T CA -0.369 61.735 62.100 0.008 0.000 1.008 539 T CB 1.074 69.944 68.868 0.004 0.000 1.289 539 T HN 0.377 nan 8.240 nan 0.000 0.514 540 D N 0.263 120.660 120.400 -0.005 0.000 2.178 540 D HA -0.072 4.567 4.640 -0.001 0.000 0.201 540 D C 1.695 177.965 176.300 -0.050 0.000 0.980 540 D CA 1.213 55.199 54.000 -0.024 0.000 0.842 540 D CB -0.193 40.597 40.800 -0.016 0.000 0.948 540 D HN 0.603 nan 8.370 nan 0.000 0.472 541 N N -0.134 118.546 118.700 -0.033 0.000 2.171 541 N HA -0.114 4.626 4.740 -0.001 0.000 0.184 541 N C 1.894 177.378 175.510 -0.042 0.000 1.021 541 N CA 1.510 54.539 53.050 -0.035 0.000 0.854 541 N CB 0.023 38.500 38.487 -0.017 0.000 0.994 541 N HN 0.213 nan 8.380 nan 0.000 0.426 542 T N -0.143 114.393 114.554 -0.031 0.000 2.951 542 T HA -0.053 4.297 4.350 -0.001 0.000 0.268 542 T C 1.885 176.550 174.700 -0.058 0.000 1.073 542 T CA 0.399 62.479 62.100 -0.033 0.000 1.134 542 T CB -0.229 68.630 68.868 -0.015 0.000 0.884 542 T HN 0.048 nan 8.240 nan 0.000 0.479 543 L N 0.886 122.070 121.223 -0.066 0.000 2.027 543 L HA 0.273 4.613 4.340 -0.001 0.000 0.206 543 L C 2.317 179.087 176.870 -0.167 0.000 1.074 543 L CA 1.436 56.220 54.840 -0.094 0.000 0.745 543 L CB -0.871 41.145 42.059 -0.072 0.000 0.898 543 L HN 0.361 nan 8.230 nan 0.000 0.433 544 I N -1.045 119.409 120.570 -0.194 0.000 2.315 544 I HA -0.286 3.884 4.170 -0.001 0.000 0.248 544 I C 2.025 177.901 176.117 -0.402 0.000 1.117 544 I CA 1.545 62.649 61.300 -0.325 0.000 1.404 544 I CB -0.170 37.672 38.000 -0.264 0.000 1.071 544 I HN 0.350 nan 8.210 nan 0.000 0.419 545 T N 0.554 114.996 114.554 -0.186 0.000 2.720 545 T HA -0.264 4.086 4.350 -0.001 0.000 0.268 545 T C 1.901 176.552 174.700 -0.081 0.000 1.037 545 T CA 1.609 63.665 62.100 -0.074 0.000 1.144 545 T CB -0.191 68.666 68.868 -0.020 0.000 0.864 545 T HN 0.338 nan 8.240 nan 0.000 0.444 546 K N 0.547 120.881 120.400 -0.111 0.000 2.097 546 K HA 0.037 4.356 4.320 -0.001 0.000 0.205 546 K C 2.210 178.705 176.600 -0.175 0.000 1.050 546 K CA 0.791 57.020 56.287 -0.097 0.000 0.938 546 K CB -0.197 32.232 32.500 -0.118 0.000 0.718 546 K HN 0.302 nan 8.250 nan 0.000 0.442 547 L N 0.218 121.295 121.223 -0.244 0.000 1.994 547 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 547 L C 2.512 179.268 176.870 -0.190 0.000 1.071 547 L CA 1.175 55.871 54.840 -0.240 0.000 0.745 547 L CB -0.828 41.068 42.059 -0.272 0.000 0.892 547 L HN 0.307 nan 8.230 nan 0.000 0.431 548 H N -0.890 118.184 119.070 0.007 0.000 2.352 548 H HA -0.172 4.383 4.556 -0.001 0.000 0.299 548 H C 2.615 177.899 175.328 -0.074 0.000 1.097 548 H CA 1.652 57.741 56.048 0.068 0.000 1.311 548 H CB -0.523 29.312 29.762 0.122 0.000 1.377 548 H HN 0.277 nan 8.280 nan 0.000 0.504 549 S N -0.105 115.605 115.700 0.016 0.000 2.368 549 S HA -0.172 4.298 4.470 -0.001 0.000 0.225 549 S C 1.930 176.394 174.600 -0.226 0.000 1.030 549 S CA 1.078 59.236 58.200 -0.071 0.000 0.999 549 S CB -0.215 62.956 63.200 -0.049 0.000 0.844 549 S HN 0.583 nan 8.310 nan 0.000 0.459 550 H N -1.543 117.197 119.070 -0.551 0.000 2.482 550 H HA 0.100 4.656 4.556 -0.001 0.000 0.286 550 H C 1.065 175.839 175.328 -0.923 0.000 1.017 550 H CA 1.395 56.932 56.048 -0.852 0.000 1.322 550 H CB 0.090 29.020 29.762 -1.386 0.000 1.426 550 H HN 0.576 nan 8.280 nan 0.000 0.546 551 F N -0.668 119.125 119.950 -0.261 0.000 2.711 551 F HA 0.139 4.666 4.527 -0.000 0.000 0.296 551 F C 1.330 177.003 175.800 -0.211 0.000 1.096 551 F CA -0.352 57.402 58.000 -0.410 0.000 1.280 551 F CB 0.355 38.746 39.000 -1.014 0.000 1.060 551 F HN -0.221 nan 8.300 nan 0.000 0.608 552 S N 1.473 117.213 115.700 0.066 0.000 2.544 552 S HA 0.081 4.551 4.470 -0.001 0.000 0.290 552 S C 0.703 175.388 174.600 0.143 0.000 1.276 552 S CA 0.050 58.405 58.200 0.259 0.000 1.075 552 S CB -0.066 63.269 63.200 0.225 0.000 0.849 552 S HN 0.422 nan 8.310 nan 0.000 0.494 553 K N 2.103 122.600 120.400 0.162 0.000 3.349 553 K HA -0.204 4.115 4.320 -0.001 0.000 0.310 553 K C 0.608 177.257 176.600 0.081 0.000 1.267 553 K CA 1.880 58.228 56.287 0.101 0.000 0.920 553 K CB -0.982 31.556 32.500 0.063 0.000 1.240 553 K HN 0.684 nan 8.250 nan 0.000 0.453 554 K N -0.889 119.569 120.400 0.096 0.000 2.474 554 K HA 0.125 4.445 4.320 -0.001 0.000 0.204 554 K C -0.081 176.586 176.600 0.113 0.000 1.220 554 K CA 0.090 56.421 56.287 0.073 0.000 0.966 554 K CB 0.596 33.111 32.500 0.026 0.000 1.049 554 K HN 0.172 nan 8.250 nan 0.000 0.554 555 N N 0.084 118.883 118.700 0.165 0.000 2.448 555 N HA 0.251 4.991 4.740 -0.001 0.000 0.279 555 N C 0.181 175.797 175.510 0.176 0.000 1.025 555 N CA -0.163 52.989 53.050 0.170 0.000 0.898 555 N CB 1.590 40.198 38.487 0.201 0.000 1.303 555 N HN 0.040 nan 8.380 nan 0.000 0.495 556 A N 3.313 126.211 122.820 0.131 0.000 2.024 556 A HA -0.121 4.199 4.320 -0.001 0.000 0.220 556 A C 1.538 179.197 177.584 0.126 0.000 1.164 556 A CA 1.240 53.347 52.037 0.118 0.000 0.643 556 A CB -0.118 18.936 19.000 0.090 0.000 0.806 556 A HN 0.603 nan 8.150 nan 0.000 0.451 557 K N -1.611 118.866 120.400 0.130 0.000 2.444 557 K HA 0.127 4.447 4.320 -0.001 0.000 0.193 557 K C -0.451 176.246 176.600 0.162 0.000 1.024 557 K CA 0.028 56.383 56.287 0.113 0.000 1.077 557 K CB -0.310 32.236 32.500 0.077 0.000 0.833 557 K HN 0.631 nan 8.250 nan 0.000 0.517 558 Y N 0.921 121.261 120.300 0.067 0.000 2.446 558 Y HA 0.306 4.855 4.550 -0.001 0.000 0.338 558 Y C -0.776 175.210 175.900 0.144 0.000 1.055 558 Y CA -1.010 57.159 58.100 0.114 0.000 1.101 558 Y CB 1.559 40.092 38.460 0.122 0.000 1.221 558 Y HN -0.043 nan 8.280 nan 0.000 0.460 559 E N 4.665 124.659 120.200 -0.345 0.000 2.263 559 E HA 0.172 4.521 4.350 -0.001 0.000 0.268 559 E C -1.713 174.723 176.600 -0.274 0.000 0.884 559 E CA -0.776 55.528 56.400 -0.160 0.000 0.766 559 E CB 1.401 31.058 29.700 -0.071 0.000 1.196 559 E HN 0.781 nan 8.360 nan 0.000 0.416 560 E N 6.226 126.405 120.200 -0.035 0.000 2.152 560 E HA 0.242 4.592 4.350 -0.001 0.000 0.285 560 E C -2.039 174.493 176.600 -0.113 0.000 1.043 560 E CA -2.040 54.276 56.400 -0.141 0.000 0.839 560 E CB 0.736 30.271 29.700 -0.276 0.000 1.069 560 E HN 0.271 nan 8.360 nan 0.000 0.399 561 P HA -0.011 nan 4.420 nan 0.000 0.272 561 P C -0.055 177.222 177.300 -0.038 0.000 1.223 561 P CA -0.066 63.013 63.100 -0.035 0.000 0.784 561 P CB 1.218 32.915 31.700 -0.006 0.000 0.923 562 R N 1.422 121.930 120.500 0.014 0.000 2.073 562 R HA -0.000 4.340 4.340 -0.001 0.000 0.229 562 R C 0.411 176.761 176.300 0.083 0.000 1.120 562 R CA 1.135 57.263 56.100 0.046 0.000 0.967 562 R CB -0.158 30.195 30.300 0.088 0.000 0.862 562 R HN 0.422 nan 8.270 nan 0.000 0.436 563 F N 0.815 120.759 119.950 -0.010 0.000 2.542 563 F HA 0.378 4.905 4.527 -0.001 0.000 0.323 563 F C -1.128 174.674 175.800 0.005 0.000 1.411 563 F CA -0.274 57.724 58.000 -0.002 0.000 1.124 563 F CB 1.250 40.249 39.000 -0.002 0.000 1.331 563 F HN -0.126 nan 8.300 nan 0.000 0.560 564 S N 1.302 116.934 115.700 -0.112 0.000 2.535 564 S HA 0.381 4.850 4.470 -0.001 0.000 0.272 564 S C -0.053 174.494 174.600 -0.088 0.000 1.149 564 S CA -0.698 57.467 58.200 -0.057 0.000 0.888 564 S CB 1.283 64.500 63.200 0.028 0.000 1.110 564 S HN 0.212 nan 8.310 nan 0.000 0.463 565 K N 2.034 122.391 120.400 -0.072 0.000 2.358 565 K HA 0.168 4.487 4.320 -0.001 0.000 0.197 565 K C 1.359 177.993 176.600 0.057 0.000 1.025 565 K CA 0.906 57.183 56.287 -0.016 0.000 1.104 565 K CB 0.397 32.864 32.500 -0.055 0.000 0.855 565 K HN 0.809 nan 8.250 nan 0.000 0.531 566 T N -2.736 111.842 114.554 0.041 0.000 3.084 566 T HA 0.287 4.637 4.350 -0.001 0.000 0.270 566 T C 0.227 174.948 174.700 0.035 0.000 1.008 566 T CA -0.400 61.718 62.100 0.029 0.000 0.900 566 T CB 0.545 69.415 68.868 0.004 0.000 1.084 566 T HN -0.073 nan 8.240 nan 0.000 0.538 567 E N 0.981 121.227 120.200 0.077 0.000 2.299 567 E HA 0.657 5.007 4.350 -0.001 0.000 0.265 567 E C -1.368 175.342 176.600 0.183 0.000 0.911 567 E CA -1.252 55.175 56.400 0.046 0.000 0.789 567 E CB 2.038 31.728 29.700 -0.016 0.000 1.246 567 E HN 0.468 nan 8.360 nan 0.000 0.427 568 F N -1.628 118.336 119.950 0.024 0.000 2.588 568 F HA 0.769 5.296 4.527 -0.001 0.000 0.310 568 F C -0.326 175.416 175.800 -0.096 0.000 1.082 568 F CA -1.005 56.961 58.000 -0.057 0.000 0.929 568 F CB 1.295 40.282 39.000 -0.020 0.000 1.254 568 F HN 0.403 nan 8.300 nan 0.000 0.455 569 G N 1.299 110.015 108.800 -0.140 0.000 2.416 569 G HA2 0.620 4.579 3.960 -0.001 0.000 0.329 569 G HA3 0.620 4.579 3.960 -0.001 0.000 0.329 569 G C -1.975 172.914 174.900 -0.018 0.000 1.173 569 G CA -1.098 43.934 45.100 -0.113 0.000 0.929 569 G HN 0.709 nan 8.290 nan 0.000 0.475 570 V N 1.055 121.026 119.914 0.095 0.000 2.588 570 V HA 0.423 4.543 4.120 -0.001 0.000 0.304 570 V C 0.040 176.127 176.094 -0.013 0.000 1.042 570 V CA -0.691 61.650 62.300 0.069 0.000 0.877 570 V CB 2.103 33.963 31.823 0.062 0.000 0.996 570 V HN 0.757 nan 8.190 nan 0.000 0.425 571 T N 5.027 119.567 114.554 -0.024 0.000 2.747 571 T HA 0.391 4.741 4.350 -0.001 0.000 0.301 571 T C -0.119 174.589 174.700 0.013 0.000 0.952 571 T CA -0.127 61.986 62.100 0.022 0.000 0.983 571 T CB -0.402 68.493 68.868 0.045 0.000 0.930 571 T HN 0.560 nan 8.240 nan 0.000 0.494 572 H N 1.775 120.910 119.070 0.109 0.000 2.523 572 H HA 0.134 4.690 4.556 -0.001 0.000 0.345 572 H C 1.117 176.409 175.328 -0.059 0.000 1.261 572 H CA -0.653 55.454 56.048 0.098 0.000 1.343 572 H CB 0.808 30.675 29.762 0.176 0.000 1.650 572 H HN 0.745 nan 8.280 nan 0.000 0.591 573 Y N -0.676 119.712 120.300 0.146 0.000 2.333 573 Y HA -0.000 4.550 4.550 -0.000 0.000 0.290 573 Y C 1.781 177.607 175.900 -0.125 0.000 1.144 573 Y CA 0.931 59.041 58.100 0.017 0.000 1.228 573 Y CB -0.398 38.080 38.460 0.029 0.000 0.985 573 Y HN 0.434 nan 8.280 nan 0.000 0.542 574 A N 0.502 122.622 122.820 -1.166 0.000 2.307 574 A HA 0.590 4.910 4.320 -0.001 0.000 0.218 574 A C 1.259 178.512 177.584 -0.551 0.000 1.228 574 A CA 0.551 51.948 52.037 -1.066 0.000 0.857 574 A CB -1.025 16.747 19.000 -2.047 0.000 0.897 574 A HN 1.019 nan 8.150 nan 0.000 0.495 575 G N -1.148 107.480 108.800 -0.287 0.000 2.408 575 G HA2 0.017 3.976 3.960 -0.001 0.000 0.682 575 G HA3 0.017 3.976 3.960 -0.001 0.000 0.682 575 G C -0.587 174.332 174.900 0.032 0.000 1.303 575 G CA -0.322 44.718 45.100 -0.101 0.000 0.966 575 G HN 0.526 nan 8.290 nan 0.000 0.560 576 Q N -0.831 118.989 119.800 0.033 0.000 2.327 576 Q HA 0.574 4.914 4.340 -0.001 0.000 0.254 576 Q C -0.434 175.598 176.000 0.053 0.000 0.952 576 Q CA -0.508 55.332 55.803 0.061 0.000 0.884 576 Q CB 1.216 29.960 28.738 0.011 0.000 1.224 576 Q HN 0.700 nan 8.270 nan 0.000 0.422 577 V N 4.935 124.887 119.914 0.062 0.000 2.588 577 V HA 0.374 4.494 4.120 -0.001 0.000 0.304 577 V C -0.484 175.368 176.094 -0.405 0.000 1.042 577 V CA -0.902 61.294 62.300 -0.173 0.000 0.877 577 V CB 1.823 33.509 31.823 -0.229 0.000 0.996 577 V HN 0.849 nan 8.190 nan 0.000 0.425 578 M N 4.661 123.999 119.600 -0.438 0.000 2.157 578 M HA 0.520 5.000 4.480 -0.001 0.000 0.354 578 M C -1.084 174.850 176.300 -0.610 0.000 1.170 578 M CA -0.472 54.584 55.300 -0.407 0.000 1.060 578 M CB 0.731 33.205 32.600 -0.209 0.000 1.615 578 M HN 0.535 nan 8.290 nan 0.000 0.460 579 Y N 0.673 120.715 120.300 -0.430 0.000 2.352 579 Y HA 0.396 4.946 4.550 -0.001 0.000 0.339 579 Y C 0.385 176.081 175.900 -0.341 0.000 0.992 579 Y CA -0.992 56.874 58.100 -0.389 0.000 1.100 579 Y CB 1.259 39.306 38.460 -0.687 0.000 1.192 579 Y HN 0.551 nan 8.280 nan 0.000 0.458 580 E N 2.567 122.795 120.200 0.047 0.000 2.229 580 E HA 0.187 4.536 4.350 -0.001 0.000 0.283 580 E C 0.003 176.556 176.600 -0.078 0.000 1.030 580 E CA -0.069 56.340 56.400 0.014 0.000 0.836 580 E CB 0.901 30.651 29.700 0.083 0.000 1.068 580 E HN 0.670 nan 8.360 nan 0.000 0.401 581 I N 3.263 123.660 120.570 -0.289 0.000 3.111 581 I HA -0.046 4.124 4.170 -0.001 0.000 0.272 581 I C 0.698 176.633 176.117 -0.304 0.000 1.268 581 I CA 0.459 61.343 61.300 -0.692 0.000 1.467 581 I CB -0.389 37.353 38.000 -0.430 0.000 1.087 581 I HN 0.668 nan 8.210 nan 0.000 0.467 582 Q N 1.348 121.129 119.800 -0.032 0.000 2.308 582 Q HA -0.150 4.190 4.340 -0.001 0.000 0.313 582 Q C 0.408 176.532 176.000 0.208 0.000 1.075 582 Q CA 1.184 57.030 55.803 0.072 0.000 0.995 582 Q CB 0.022 28.801 28.738 0.070 0.000 1.107 582 Q HN 0.392 nan 8.270 nan 0.000 0.380 583 D N 2.269 122.755 120.400 0.143 0.000 3.046 583 D HA -0.235 4.405 4.640 -0.001 0.000 0.210 583 D C -0.169 176.256 176.300 0.209 0.000 1.124 583 D CA 1.193 55.275 54.000 0.136 0.000 0.986 583 D CB -1.367 39.472 40.800 0.065 0.000 1.118 583 D HN 0.713 nan 8.370 nan 0.000 0.416 584 W N 1.104 122.363 121.300 -0.068 0.000 2.342 584 W HA 0.016 4.676 4.660 -0.000 0.000 0.297 584 W C 2.520 178.910 176.519 -0.216 0.000 1.213 584 W CA 0.842 58.086 57.345 -0.168 0.000 1.251 584 W CB -0.924 28.475 29.460 -0.102 0.000 1.136 584 W HN 0.194 nan 8.180 nan 0.000 0.526 585 L N -0.369 120.917 121.223 0.105 0.000 2.017 585 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 585 L C 2.438 179.298 176.870 -0.018 0.000 1.073 585 L CA 1.921 56.774 54.840 0.021 0.000 0.745 585 L CB -0.985 41.092 42.059 0.030 0.000 0.894 585 L HN 0.046 nan 8.230 nan 0.000 0.432 586 E N 0.765 120.959 120.200 -0.009 0.000 2.077 586 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 586 E C 2.078 178.645 176.600 -0.056 0.000 0.989 586 E CA 1.219 57.604 56.400 -0.024 0.000 0.800 586 E CB 0.124 29.813 29.700 -0.018 0.000 0.746 586 E HN 0.392 nan 8.360 nan 0.000 0.452 587 K N 0.246 120.580 120.400 -0.110 0.000 2.280 587 K HA -0.119 4.201 4.320 -0.001 0.000 0.202 587 K C 1.690 178.153 176.600 -0.229 0.000 1.047 587 K CA 0.942 57.125 56.287 -0.174 0.000 0.942 587 K CB -0.087 32.245 32.500 -0.280 0.000 0.739 587 K HN 0.029 nan 8.250 nan 0.000 0.457 588 N N 0.853 119.405 118.700 -0.246 0.000 2.467 588 N HA -0.048 4.692 4.740 -0.001 0.000 0.184 588 N C -0.637 174.920 175.510 0.080 0.000 1.106 588 N CA 0.510 53.457 53.050 -0.171 0.000 0.892 588 N CB 0.354 38.722 38.487 -0.197 0.000 0.969 588 N HN -0.095 nan 8.380 nan 0.000 0.454 589 K N 0.634 121.094 120.400 0.101 0.000 2.201 589 K HA 0.191 4.511 4.320 -0.001 0.000 0.278 589 K C -0.871 175.760 176.600 0.051 0.000 1.027 589 K CA -0.198 56.209 56.287 0.200 0.000 0.909 589 K CB 1.433 33.961 32.500 0.046 0.000 1.062 589 K HN -0.040 nan 8.250 nan 0.000 0.465 590 D N 2.506 122.860 120.400 -0.077 0.000 2.879 590 D HA 0.184 4.824 4.640 -0.001 0.000 0.351 590 D C -2.416 173.576 176.300 -0.513 0.000 1.239 590 D CA -1.232 52.697 54.000 -0.118 0.000 0.771 590 D CB 0.651 41.586 40.800 0.226 0.000 1.176 590 D HN 0.266 nan 8.370 nan 0.000 0.496 591 P HA 0.442 nan 4.420 nan 0.000 0.290 591 P C -1.143 176.007 177.300 -0.251 0.000 1.275 591 P CA -0.874 61.864 63.100 -0.604 0.000 0.841 591 P CB 2.221 33.531 31.700 -0.651 0.000 1.042 592 L N 2.396 123.530 121.223 -0.148 0.000 2.406 592 L HA 0.310 4.650 4.340 -0.001 0.000 0.272 592 L C -0.186 176.662 176.870 -0.037 0.000 0.980 592 L CA -0.517 54.286 54.840 -0.063 0.000 0.831 592 L CB 1.697 43.746 42.059 -0.016 0.000 1.253 592 L HN 0.243 nan 8.230 nan 0.000 0.406 593 Q N 2.583 122.365 119.800 -0.029 0.000 2.300 593 Q HA -0.043 4.297 4.340 -0.001 0.000 0.280 593 Q C 0.563 176.570 176.000 0.012 0.000 1.033 593 Q CA 0.272 56.065 55.803 -0.016 0.000 0.903 593 Q CB 1.336 30.063 28.738 -0.018 0.000 1.195 593 Q HN 0.733 nan 8.270 nan 0.000 0.386 594 Q N 2.647 122.455 119.800 0.013 0.000 2.170 594 Q HA -0.179 4.160 4.340 -0.001 0.000 0.203 594 Q C 0.541 176.560 176.000 0.032 0.000 0.976 594 Q CA 1.847 57.669 55.803 0.031 0.000 0.858 594 Q CB 0.168 28.921 28.738 0.024 0.000 0.907 594 Q HN 0.535 nan 8.270 nan 0.000 0.433 595 D N -0.496 119.913 120.400 0.016 0.000 2.263 595 D HA -0.100 4.539 4.640 -0.001 0.000 0.208 595 D C 1.593 177.909 176.300 0.028 0.000 0.971 595 D CA 0.692 54.700 54.000 0.013 0.000 0.867 595 D CB 0.003 40.804 40.800 0.001 0.000 0.929 595 D HN 0.329 nan 8.370 nan 0.000 0.492 596 L N 0.512 121.763 121.223 0.047 0.000 2.072 596 L HA -0.105 4.235 4.340 -0.001 0.000 0.205 596 L C 2.257 179.178 176.870 0.086 0.000 1.079 596 L CA 0.991 55.884 54.840 0.089 0.000 0.752 596 L CB -0.261 41.839 42.059 0.068 0.000 0.906 596 L HN 0.010 nan 8.230 nan 0.000 0.436 597 E N 0.237 120.488 120.200 0.086 0.000 2.110 597 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 597 E C 2.318 178.948 176.600 0.051 0.000 0.988 597 E CA 1.066 57.547 56.400 0.135 0.000 0.804 597 E CB -0.181 29.659 29.700 0.233 0.000 0.745 597 E HN 0.468 nan 8.360 nan 0.000 0.458 598 L N 0.666 121.909 121.223 0.034 0.000 2.083 598 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 598 L C 2.843 179.678 176.870 -0.057 0.000 1.083 598 L CA 0.785 55.626 54.840 0.002 0.000 0.752 598 L CB -0.550 41.509 42.059 0.000 0.000 0.899 598 L HN 0.369 nan 8.230 nan 0.000 0.433 599 C N 0.200 119.453 119.300 -0.079 0.000 2.413 599 C HA -0.225 4.234 4.460 -0.001 0.000 0.278 599 C C 2.716 177.478 174.990 -0.380 0.000 1.224 599 C CA 0.756 59.653 59.018 -0.203 0.000 1.732 599 C CB -0.891 26.727 27.740 -0.204 0.000 2.050 599 C HN 0.452 nan 8.230 nan 0.000 0.463 600 F N 1.244 120.907 119.950 -0.479 0.000 2.293 600 F HA 0.034 4.561 4.527 -0.001 0.000 0.300 600 F C 2.406 177.957 175.800 -0.413 0.000 1.086 600 F CA 1.436 59.027 58.000 -0.682 0.000 1.375 600 F CB -0.491 37.526 39.000 -1.640 0.000 1.045 600 F HN 0.249 nan 8.300 nan 0.000 0.516 601 K N -0.199 120.136 120.400 -0.109 0.000 2.281 601 K HA -0.158 4.161 4.320 -0.001 0.000 0.203 601 K C 0.558 177.149 176.600 -0.016 0.000 1.046 601 K CA 1.258 57.569 56.287 0.039 0.000 0.938 601 K CB -0.167 32.376 32.500 0.072 0.000 0.737 601 K HN 0.163 nan 8.250 nan 0.000 0.458 602 D N 0.238 120.586 120.400 -0.087 0.000 2.342 602 D HA -0.002 4.637 4.640 -0.001 0.000 0.221 602 D C 0.108 176.348 176.300 -0.101 0.000 1.101 602 D CA 0.175 54.126 54.000 -0.082 0.000 0.837 602 D CB 0.300 41.045 40.800 -0.091 0.000 0.938 602 D HN -0.049 nan 8.370 nan 0.000 0.508 603 S N 0.188 115.817 115.700 -0.118 0.000 2.563 603 S HA 0.014 4.484 4.470 -0.001 0.000 0.284 603 S C 1.540 176.116 174.600 -0.040 0.000 1.331 603 S CA -0.077 58.064 58.200 -0.098 0.000 1.047 603 S CB 0.752 63.920 63.200 -0.053 0.000 0.859 603 S HN 0.199 nan 8.310 nan 0.000 0.514 604 S N 2.131 117.814 115.700 -0.029 0.000 2.603 604 S HA 0.086 4.555 4.470 -0.001 0.000 0.220 604 S C 0.319 174.920 174.600 0.001 0.000 0.967 604 S CA -0.195 57.998 58.200 -0.012 0.000 0.920 604 S CB -0.175 63.019 63.200 -0.011 0.000 0.773 604 S HN 0.795 nan 8.310 nan 0.000 0.529 605 D N 1.775 122.183 120.400 0.013 0.000 2.249 605 D HA 0.125 4.765 4.640 -0.001 0.000 0.246 605 D C 0.705 176.997 176.300 -0.014 0.000 1.114 605 D CA -0.271 53.736 54.000 0.012 0.000 0.854 605 D CB 0.808 41.635 40.800 0.045 0.000 1.132 605 D HN 0.212 nan 8.370 nan 0.000 0.461 606 N N 2.842 121.522 118.700 -0.034 0.000 2.149 606 N HA -0.156 4.584 4.740 -0.001 0.000 0.188 606 N C 1.490 176.931 175.510 -0.116 0.000 1.019 606 N CA 1.096 54.116 53.050 -0.049 0.000 0.857 606 N CB 0.393 38.859 38.487 -0.034 0.000 0.997 606 N HN 0.256 nan 8.380 nan 0.000 0.426 607 V N 0.679 120.464 119.914 -0.214 0.000 2.488 607 V HA -0.103 4.017 4.120 -0.001 0.000 0.246 607 V C 2.492 178.380 176.094 -0.344 0.000 1.046 607 V CA 0.758 62.770 62.300 -0.479 0.000 1.053 607 V CB -0.166 31.215 31.823 -0.736 0.000 0.679 607 V HN 0.115 nan 8.190 nan 0.000 0.458 608 V N -0.229 119.617 119.914 -0.114 0.000 2.332 608 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 608 V C 2.646 178.825 176.094 0.142 0.000 1.055 608 V CA 2.671 65.017 62.300 0.076 0.000 1.038 608 V CB -0.913 31.026 31.823 0.193 0.000 0.651 608 V HN 0.614 nan 8.190 nan 0.000 0.450 609 T N -0.809 113.781 114.554 0.060 0.000 2.833 609 T HA -0.190 4.159 4.350 -0.001 0.000 0.269 609 T C 1.875 176.616 174.700 0.068 0.000 1.054 609 T CA 1.509 63.663 62.100 0.090 0.000 1.135 609 T CB -0.165 68.725 68.868 0.037 0.000 0.869 609 T HN 0.532 nan 8.240 nan 0.000 0.466 610 K N 0.440 120.825 120.400 -0.025 0.000 2.155 610 K HA 0.115 4.435 4.320 -0.001 0.000 0.203 610 K C 2.117 178.673 176.600 -0.074 0.000 1.052 610 K CA 0.840 57.108 56.287 -0.033 0.000 0.948 610 K CB -0.124 32.350 32.500 -0.042 0.000 0.728 610 K HN 0.363 nan 8.250 nan 0.000 0.448 611 L N -0.509 120.625 121.223 -0.148 0.000 2.201 611 L HA -0.076 4.264 4.340 -0.001 0.000 0.212 611 L C 1.421 177.959 176.870 -0.553 0.000 1.105 611 L CA 1.108 55.753 54.840 -0.326 0.000 0.775 611 L CB -0.183 41.645 42.059 -0.385 0.000 0.913 611 L HN 0.101 nan 8.230 nan 0.000 0.440 612 F N -1.330 118.598 119.950 -0.036 0.000 2.704 612 F HA 0.153 4.680 4.527 -0.000 0.000 0.304 612 F C 1.878 177.678 175.800 -0.000 0.000 1.094 612 F CA -0.003 57.991 58.000 -0.010 0.000 1.275 612 F CB 0.082 39.098 39.000 0.027 0.000 1.073 612 F HN 0.018 nan 8.300 nan 0.000 0.586 613 N N -0.955 117.807 118.700 0.105 0.000 2.317 613 N HA -0.047 4.693 4.740 -0.001 0.000 0.199 613 N C -0.051 175.476 175.510 0.029 0.000 1.145 613 N CA 0.318 53.410 53.050 0.071 0.000 0.882 613 N CB 0.399 38.928 38.487 0.069 0.000 1.113 613 N HN 0.141 nan 8.380 nan 0.000 0.486 614 D N 3.749 124.153 120.400 0.007 0.000 2.374 614 D HA 0.061 4.701 4.640 -0.001 0.000 0.240 614 D C -1.407 174.882 176.300 -0.019 0.000 1.229 614 D CA -1.611 52.388 54.000 -0.001 0.000 0.895 614 D CB 1.531 42.337 40.800 0.010 0.000 1.046 614 D HN 0.081 nan 8.370 nan 0.000 0.498 615 P HA -0.198 nan 4.420 nan 0.000 0.221 615 P C 0.566 177.853 177.300 -0.022 0.000 1.141 615 P CA 1.149 64.242 63.100 -0.012 0.000 0.794 615 P CB 0.438 32.136 31.700 -0.003 0.000 0.764 616 N N -0.181 118.504 118.700 -0.026 0.000 2.176 616 N HA 0.009 4.749 4.740 -0.001 0.000 0.187 616 N C 2.070 177.552 175.510 -0.046 0.000 1.043 616 N CA 0.587 53.617 53.050 -0.033 0.000 0.851 616 N CB -0.352 38.114 38.487 -0.034 0.000 1.018 616 N HN 0.068 nan 8.380 nan 0.000 0.436 617 I N 1.397 121.936 120.570 -0.052 0.000 2.208 617 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 617 I C 1.265 177.314 176.117 -0.113 0.000 1.097 617 I CA 0.372 61.628 61.300 -0.073 0.000 1.363 617 I CB -0.421 37.542 38.000 -0.061 0.000 1.051 617 I HN 0.133 nan 8.210 nan 0.000 0.413 618 A N -0.691 122.053 122.820 -0.127 0.000 2.239 618 A HA 0.527 4.847 4.320 -0.001 0.000 0.303 618 A C 1.041 178.583 177.584 -0.071 0.000 1.114 618 A CA 0.406 52.353 52.037 -0.150 0.000 0.871 618 A CB 1.167 20.055 19.000 -0.186 0.000 1.201 618 A HN 0.242 nan 8.150 nan 0.000 0.506 619 S N -0.847 114.823 115.700 -0.050 0.000 4.155 619 S HA -0.385 4.085 4.470 -0.001 0.000 0.552 619 S C 1.481 176.081 174.600 -0.001 0.000 1.869 619 S CA 3.428 61.623 58.200 -0.009 0.000 4.246 619 S CB -1.230 61.971 63.200 0.002 0.000 0.245 619 S HN 2.278 nan 8.310 nan 0.000 0.461 620 R N -1.139 119.362 120.500 0.001 0.000 1.216 620 R HA -0.009 4.331 4.340 -0.001 0.000 0.045 620 R C 0.590 176.897 176.300 0.013 0.000 0.950 620 R CA 1.950 58.054 56.100 0.006 0.000 1.976 620 R CB -1.654 28.655 30.300 0.016 0.000 0.271 620 R HN 1.979 nan 8.270 nan 0.000 0.724 621 A N -0.488 122.346 122.820 0.022 0.000 3.371 621 A HA 0.437 4.757 4.320 -0.001 0.000 0.114 621 A C -0.367 177.236 177.584 0.032 0.000 1.346 621 A CA 0.436 52.486 52.037 0.023 0.000 1.555 621 A CB 0.052 19.062 19.000 0.018 0.000 1.387 621 A HN 0.350 nan 8.150 nan 0.000 0.615 622 K N -2.878 117.542 120.400 0.033 0.000 5.577 622 K HA 0.263 4.583 4.320 -0.001 0.000 0.766 622 K C -1.305 175.305 176.600 0.018 0.000 0.863 622 K CA 0.238 56.550 56.287 0.041 0.000 1.065 622 K CB 0.050 32.574 32.500 0.039 0.000 2.071 622 K HN 0.509 nan 8.250 nan 0.000 1.042 623 K N -0.104 120.300 120.400 0.007 0.000 3.253 623 K HA 0.157 4.477 4.320 -0.001 0.000 0.171 623 K C 0.203 176.797 176.600 -0.011 0.000 1.035 623 K CA 0.928 57.206 56.287 -0.014 0.000 1.013 623 K CB 0.504 32.975 32.500 -0.048 0.000 0.674 623 K HN 0.827 nan 8.250 nan 0.000 0.407 624 G N 0.298 109.099 108.800 0.001 0.000 2.238 624 G HA2 -0.417 3.542 3.960 -0.001 0.000 0.270 624 G HA3 -0.417 3.542 3.960 -0.001 0.000 0.270 624 G C 0.471 175.373 174.900 0.002 0.000 0.977 624 G CA 1.084 46.185 45.100 0.002 0.000 0.639 624 G HN 0.626 nan 8.290 nan 0.000 0.544 625 A N 0.044 122.863 122.820 -0.002 0.000 3.411 625 A HA 0.726 5.046 4.320 -0.001 0.000 0.197 625 A C 1.475 179.075 177.584 0.027 0.000 1.630 625 A CA 1.134 53.171 52.037 -0.000 0.000 1.807 625 A CB -0.060 18.922 19.000 -0.030 0.000 1.519 625 A HN 0.842 nan 8.150 nan 0.000 0.502 626 N N -1.964 116.766 118.700 0.050 0.000 2.529 626 N HA 0.269 5.009 4.740 -0.001 0.000 0.231 626 N C -0.223 175.416 175.510 0.215 0.000 1.072 626 N CA 0.831 53.952 53.050 0.118 0.000 0.854 626 N CB 0.590 39.166 38.487 0.149 0.000 1.465 626 N HN 0.753 nan 8.380 nan 0.000 0.452 627 F N -0.251 119.693 119.950 -0.009 0.000 2.672 627 F HA 0.603 5.129 4.527 -0.001 0.000 0.311 627 F C -2.065 173.733 175.800 -0.002 0.000 1.113 627 F CA -1.585 56.413 58.000 -0.003 0.000 0.996 627 F CB 0.777 39.776 39.000 -0.002 0.000 1.286 627 F HN -0.224 nan 8.300 nan 0.000 0.441 628 I N 2.881 123.268 120.570 -0.305 0.000 2.474 628 I HA 0.338 4.507 4.170 -0.001 0.000 0.287 628 I C 0.930 176.736 176.117 -0.517 0.000 1.048 628 I CA -0.117 60.965 61.300 -0.362 0.000 1.383 628 I CB 1.291 39.244 38.000 -0.078 0.000 1.412 628 I HN 0.781 nan 8.210 nan 0.000 0.531 629 T N 2.092 116.364 114.554 -0.469 0.000 2.802 629 T HA 0.186 4.535 4.350 -0.001 0.000 0.305 629 T C 1.305 176.048 174.700 0.072 0.000 1.053 629 T CA -0.742 61.237 62.100 -0.202 0.000 1.058 629 T CB 0.717 69.501 68.868 -0.139 0.000 0.988 629 T HN 0.291 nan 8.240 nan 0.000 0.539 630 V N 1.647 121.667 119.914 0.176 0.000 2.407 630 V HA -0.114 4.006 4.120 -0.001 0.000 0.248 630 V C 3.054 179.319 176.094 0.286 0.000 1.055 630 V CA 2.158 64.600 62.300 0.238 0.000 1.049 630 V CB -1.661 30.311 31.823 0.248 0.000 0.662 630 V HN 1.084 nan 8.190 nan 0.000 0.455 631 A N -0.021 122.952 122.820 0.255 0.000 1.933 631 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 631 A C 2.385 180.095 177.584 0.210 0.000 1.175 631 A CA 1.952 54.165 52.037 0.294 0.000 0.628 631 A CB -0.629 18.503 19.000 0.220 0.000 0.814 631 A HN 0.562 nan 8.150 nan 0.000 0.444 632 A N -0.853 122.038 122.820 0.117 0.000 1.968 632 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 632 A C 2.084 179.733 177.584 0.109 0.000 1.169 632 A CA 1.425 53.512 52.037 0.083 0.000 0.638 632 A CB -0.430 18.570 19.000 0.001 0.000 0.812 632 A HN 0.639 nan 8.150 nan 0.000 0.446 633 Q N -1.897 117.979 119.800 0.128 0.000 2.079 633 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 633 Q C 1.966 178.039 176.000 0.122 0.000 0.974 633 Q CA 1.769 57.642 55.803 0.116 0.000 0.840 633 Q CB -0.351 28.468 28.738 0.136 0.000 0.898 633 Q HN 0.797 nan 8.270 nan 0.000 0.430 634 Y N 1.644 122.005 120.300 0.101 0.000 2.070 634 Y HA -0.303 4.247 4.550 -0.000 0.000 0.280 634 Y C 2.413 178.382 175.900 0.114 0.000 1.148 634 Y CA 1.958 60.117 58.100 0.099 0.000 1.125 634 Y CB -0.024 38.488 38.460 0.085 0.000 0.975 634 Y HN -0.089 nan 8.280 nan 0.000 0.492 635 K N -0.246 120.354 120.400 0.334 0.000 2.113 635 K HA -0.282 4.038 4.320 -0.001 0.000 0.208 635 K C 2.036 178.711 176.600 0.125 0.000 1.047 635 K CA 1.902 58.356 56.287 0.279 0.000 0.928 635 K CB -0.163 32.477 32.500 0.233 0.000 0.716 635 K HN 0.219 nan 8.250 nan 0.000 0.446 636 E N 0.790 121.038 120.200 0.080 0.000 2.107 636 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 636 E C 1.841 178.448 176.600 0.010 0.000 0.982 636 E CA 1.349 57.774 56.400 0.042 0.000 0.809 636 E CB 0.055 29.779 29.700 0.040 0.000 0.756 636 E HN 0.337 nan 8.360 nan 0.000 0.459 637 Q N -0.454 119.331 119.800 -0.025 0.000 2.079 637 Q HA -0.129 4.210 4.340 -0.001 0.000 0.200 637 Q C 2.144 178.105 176.000 -0.065 0.000 0.974 637 Q CA 1.240 57.032 55.803 -0.019 0.000 0.840 637 Q CB -0.162 28.539 28.738 -0.062 0.000 0.898 637 Q HN 0.251 nan 8.270 nan 0.000 0.430 638 L N 0.608 121.738 121.223 -0.156 0.000 2.046 638 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 638 L C 2.136 178.925 176.870 -0.135 0.000 1.077 638 L CA 2.019 56.745 54.840 -0.190 0.000 0.747 638 L CB -0.736 41.227 42.059 -0.160 0.000 0.896 638 L HN 0.098 nan 8.230 nan 0.000 0.432 639 A N -1.417 121.373 122.820 -0.051 0.000 1.933 639 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 639 A C 2.541 180.096 177.584 -0.047 0.000 1.175 639 A CA 1.929 53.947 52.037 -0.032 0.000 0.628 639 A CB -1.130 17.880 19.000 0.016 0.000 0.814 639 A HN 0.578 nan 8.150 nan 0.000 0.444 640 S N -0.629 115.056 115.700 -0.026 0.000 2.368 640 S HA -0.153 4.317 4.470 -0.001 0.000 0.225 640 S C 1.967 176.538 174.600 -0.049 0.000 1.030 640 S CA 1.556 59.758 58.200 0.004 0.000 0.999 640 S CB -0.474 62.768 63.200 0.071 0.000 0.844 640 S HN 0.578 nan 8.310 nan 0.000 0.459 641 L N 1.554 122.679 121.223 -0.163 0.000 2.017 641 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 641 L C 2.291 178.931 176.870 -0.383 0.000 1.073 641 L CA 2.011 56.584 54.840 -0.445 0.000 0.745 641 L CB -0.763 40.818 42.059 -0.796 0.000 0.894 641 L HN 0.272 nan 8.230 nan 0.000 0.432 642 M N -0.173 119.250 119.600 -0.296 0.000 2.159 642 M HA -0.112 4.368 4.480 -0.001 0.000 0.263 642 M C 2.433 178.621 176.300 -0.186 0.000 1.063 642 M CA 1.708 56.843 55.300 -0.274 0.000 1.110 642 M CB -1.929 30.567 32.600 -0.174 0.000 1.374 642 M HN 0.481 nan 8.290 nan 0.000 0.411 643 A N -0.192 122.561 122.820 -0.112 0.000 1.930 643 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 643 A C 2.369 179.929 177.584 -0.040 0.000 1.175 643 A CA 2.119 54.128 52.037 -0.045 0.000 0.627 643 A CB -1.046 17.946 19.000 -0.013 0.000 0.815 643 A HN 0.467 nan 8.150 nan 0.000 0.443 644 T N 0.558 115.062 114.554 -0.084 0.000 2.708 644 T HA -0.088 4.262 4.350 -0.001 0.000 0.266 644 T C 1.818 176.473 174.700 -0.074 0.000 1.037 644 T CA 1.487 63.555 62.100 -0.053 0.000 1.146 644 T CB -0.397 68.385 68.868 -0.143 0.000 0.865 644 T HN 0.367 nan 8.240 nan 0.000 0.435 645 L N 0.664 121.735 121.223 -0.255 0.000 2.083 645 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 645 L C 2.582 179.447 176.870 -0.008 0.000 1.083 645 L CA 1.411 56.084 54.840 -0.278 0.000 0.752 645 L CB -0.562 41.028 42.059 -0.781 0.000 0.899 645 L HN 0.325 nan 8.230 nan 0.000 0.433 646 E N -0.636 119.581 120.200 0.027 0.000 2.409 646 E HA -0.163 4.187 4.350 -0.001 0.000 0.198 646 E C 1.888 178.584 176.600 0.160 0.000 1.024 646 E CA 1.388 57.912 56.400 0.206 0.000 0.861 646 E CB -0.001 29.786 29.700 0.146 0.000 0.788 646 E HN 0.573 nan 8.360 nan 0.000 0.521 647 T N -1.899 112.727 114.554 0.120 0.000 3.100 647 T HA -0.026 4.324 4.350 -0.001 0.000 0.253 647 T C 1.058 175.819 174.700 0.100 0.000 1.118 647 T CA 0.435 62.600 62.100 0.110 0.000 1.058 647 T CB -0.140 68.798 68.868 0.117 0.000 0.953 647 T HN 0.079 nan 8.240 nan 0.000 0.515 648 T N 0.259 114.892 114.554 0.132 0.000 2.948 648 T HA 0.528 4.877 4.350 -0.001 0.000 0.285 648 T C -0.556 174.185 174.700 0.069 0.000 1.019 648 T CA -1.031 61.126 62.100 0.096 0.000 1.013 648 T CB 1.387 70.357 68.868 0.170 0.000 1.117 648 T HN 0.117 nan 8.240 nan 0.000 0.533 649 N N 2.578 121.279 118.700 0.003 0.000 2.426 649 N HA 0.450 5.190 4.740 -0.001 0.000 0.257 649 N C -2.579 172.789 175.510 -0.236 0.000 1.002 649 N CA -1.956 51.026 53.050 -0.113 0.000 0.942 649 N CB 1.100 39.554 38.487 -0.055 0.000 1.112 649 N HN 0.425 nan 8.380 nan 0.000 0.499 650 P HA 0.319 nan 4.420 nan 0.000 0.285 650 P C -1.253 175.501 177.300 -0.910 0.000 1.269 650 P CA -0.182 62.592 63.100 -0.544 0.000 0.844 650 P CB 1.568 33.024 31.700 -0.407 0.000 1.094 651 H N 0.421 119.213 119.070 -0.463 0.000 2.930 651 H HA 0.457 5.013 4.556 -0.001 0.000 0.371 651 H C -0.984 174.111 175.328 -0.389 0.000 1.169 651 H CA -0.199 55.737 56.048 -0.187 0.000 1.157 651 H CB 1.383 31.147 29.762 0.003 0.000 1.789 651 H HN 0.318 nan 8.280 nan 0.000 0.547 652 F N 0.819 120.991 119.950 0.370 0.000 2.539 652 F HA 0.405 4.932 4.527 -0.001 0.000 0.318 652 F C -0.136 175.923 175.800 0.431 0.000 1.135 652 F CA -0.776 57.477 58.000 0.422 0.000 0.915 652 F CB 1.942 41.243 39.000 0.503 0.000 1.176 652 F HN 0.088 nan 8.300 nan 0.000 0.440 653 V N 4.014 124.205 119.914 0.461 0.000 2.604 653 V HA 0.628 4.748 4.120 -0.001 0.000 0.305 653 V C -0.569 175.668 176.094 0.238 0.000 1.043 653 V CA -0.923 61.570 62.300 0.323 0.000 0.888 653 V CB 2.155 34.107 31.823 0.215 0.000 0.995 653 V HN 0.555 nan 8.190 nan 0.000 0.429 654 R N 2.544 123.128 120.500 0.141 0.000 2.371 654 R HA 0.479 4.819 4.340 -0.001 0.000 0.312 654 R C -1.242 175.052 176.300 -0.010 0.000 0.980 654 R CA -0.318 55.783 56.100 0.001 0.000 0.867 654 R CB 1.334 31.522 30.300 -0.186 0.000 1.163 654 R HN 0.670 nan 8.270 nan 0.000 0.492 655 C N 4.190 123.487 119.300 -0.005 0.000 2.350 655 C HA 0.611 5.071 4.460 -0.001 0.000 0.348 655 C C 0.382 175.333 174.990 -0.065 0.000 1.260 655 C CA -0.674 58.327 59.018 -0.029 0.000 1.966 655 C CB 0.282 28.019 27.740 -0.005 0.000 2.380 655 C HN 0.553 nan 8.230 nan 0.000 0.535 656 I N 3.575 124.079 120.570 -0.110 0.000 2.465 656 I HA 0.417 4.587 4.170 -0.001 0.000 0.291 656 I C 0.010 176.020 176.117 -0.180 0.000 1.014 656 I CA -0.871 60.349 61.300 -0.133 0.000 1.093 656 I CB 1.316 39.217 38.000 -0.164 0.000 1.267 656 I HN 0.550 nan 8.210 nan 0.000 0.431 657 I N 7.854 128.343 120.570 -0.136 0.000 2.416 657 I HA 0.140 4.310 4.170 -0.001 0.000 0.288 657 I C -1.054 174.954 176.117 -0.182 0.000 1.051 657 I CA -1.159 60.054 61.300 -0.145 0.000 1.375 657 I CB 1.246 39.246 38.000 -0.001 0.000 1.407 657 I HN 0.393 nan 8.210 nan 0.000 0.516 658 P HA -0.038 nan 4.420 nan 0.000 0.224 658 P C -0.642 176.624 177.300 -0.057 0.000 1.157 658 P CA 1.033 63.980 63.100 -0.254 0.000 0.799 658 P CB 0.104 31.560 31.700 -0.407 0.000 0.809 659 N N -2.335 116.411 118.700 0.077 0.000 3.116 659 N HA 0.134 4.874 4.740 -0.001 0.000 0.244 659 N C -0.520 175.090 175.510 0.167 0.000 1.485 659 N CA -0.788 52.330 53.050 0.113 0.000 0.884 659 N CB -0.478 38.087 38.487 0.131 0.000 1.415 659 N HN -0.384 nan 8.380 nan 0.000 0.524 660 N N -0.653 118.105 118.700 0.097 0.000 2.320 660 N HA 0.175 4.915 4.740 -0.001 0.000 0.237 660 N C -0.534 175.001 175.510 0.041 0.000 1.129 660 N CA 0.138 53.235 53.050 0.079 0.000 0.854 660 N CB 0.331 38.845 38.487 0.044 0.000 1.083 660 N HN 0.528 nan 8.380 nan 0.000 0.504 661 K N 0.069 120.493 120.400 0.040 0.000 2.413 661 K HA 0.179 4.499 4.320 -0.001 0.000 0.204 661 K C -0.077 176.444 176.600 -0.132 0.000 1.041 661 K CA -0.083 56.189 56.287 -0.024 0.000 1.082 661 K CB 0.684 33.185 32.500 0.002 0.000 0.871 661 K HN -0.149 nan 8.250 nan 0.000 0.535 662 Q N 0.483 120.120 119.800 -0.272 0.000 2.481 662 Q HA -0.190 4.149 4.340 -0.001 0.000 0.272 662 Q C -0.967 174.667 176.000 -0.610 0.000 1.157 662 Q CA 0.699 55.956 55.803 -0.909 0.000 0.935 662 Q CB -1.616 26.727 28.738 -0.658 0.000 1.338 662 Q HN 0.347 nan 8.270 nan 0.000 0.494 663 L N 1.174 122.332 121.223 -0.108 0.000 2.295 663 L HA 0.564 4.903 4.340 -0.001 0.000 0.285 663 L C -1.723 175.340 176.870 0.322 0.000 1.035 663 L CA -2.164 52.722 54.840 0.076 0.000 0.806 663 L CB 0.917 43.025 42.059 0.082 0.000 1.214 663 L HN -0.072 nan 8.230 nan 0.000 0.426 664 P HA 0.122 nan 4.420 nan 0.000 0.276 664 P C -0.071 177.347 177.300 0.197 0.000 1.261 664 P CA -0.159 63.099 63.100 0.264 0.000 0.800 664 P CB 1.054 32.843 31.700 0.149 0.000 1.066 665 A N -0.161 122.763 122.820 0.173 0.000 2.745 665 A HA -0.210 4.110 4.320 -0.001 0.000 0.296 665 A C 0.448 178.160 177.584 0.213 0.000 1.500 665 A CA 1.439 53.564 52.037 0.147 0.000 0.766 665 A CB -2.562 16.467 19.000 0.048 0.000 1.030 665 A HN 0.646 nan 8.150 nan 0.000 0.489 666 K N -0.337 120.236 120.400 0.288 0.000 3.050 666 K HA 0.452 4.772 4.320 -0.001 0.000 0.185 666 K C -0.735 175.944 176.600 0.131 0.000 1.147 666 K CA -0.703 55.694 56.287 0.184 0.000 0.916 666 K CB 0.217 32.806 32.500 0.148 0.000 1.119 666 K HN 0.425 nan 8.250 nan 0.000 0.605 667 L N 2.910 124.190 121.223 0.094 0.000 2.361 667 L HA 0.217 4.556 4.340 -0.001 0.000 0.278 667 L C -0.576 176.384 176.870 0.150 0.000 1.113 667 L CA 0.676 55.488 54.840 -0.047 0.000 0.849 667 L CB 0.671 42.600 42.059 -0.218 0.000 1.155 667 L HN 0.375 nan 8.230 nan 0.000 0.452 668 E N 2.971 123.222 120.200 0.086 0.000 2.133 668 E HA 0.125 4.475 4.350 -0.001 0.000 0.274 668 E C 0.037 176.530 176.600 -0.178 0.000 0.930 668 E CA -0.388 56.015 56.400 0.004 0.000 0.770 668 E CB 1.201 30.889 29.700 -0.021 0.000 1.104 668 E HN 0.684 nan 8.360 nan 0.000 0.403 669 D N 3.768 123.812 120.400 -0.594 0.000 2.123 669 D HA -0.275 4.365 4.640 -0.001 0.000 0.196 669 D C 1.577 177.579 176.300 -0.497 0.000 0.992 669 D CA 1.266 54.574 54.000 -1.153 0.000 0.833 669 D CB 0.013 39.973 40.800 -1.400 0.000 0.954 669 D HN 0.337 nan 8.370 nan 0.000 0.455 670 K N 0.564 120.785 120.400 -0.298 0.000 2.057 670 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 670 K C 2.014 178.533 176.600 -0.135 0.000 1.049 670 K CA 1.102 57.278 56.287 -0.185 0.000 0.931 670 K CB -0.007 32.409 32.500 -0.140 0.000 0.714 670 K HN 0.068 nan 8.250 nan 0.000 0.440 671 V N 0.554 120.399 119.914 -0.114 0.000 2.323 671 V HA -0.190 3.929 4.120 -0.001 0.000 0.244 671 V C 2.288 178.339 176.094 -0.072 0.000 1.041 671 V CA 1.363 63.620 62.300 -0.070 0.000 1.025 671 V CB 0.031 31.829 31.823 -0.041 0.000 0.656 671 V HN 0.163 nan 8.190 nan 0.000 0.451 672 V N -0.275 119.594 119.914 -0.076 0.000 2.358 672 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 672 V C 2.284 178.348 176.094 -0.051 0.000 1.047 672 V CA 1.768 64.046 62.300 -0.036 0.000 1.035 672 V CB -0.468 31.418 31.823 0.104 0.000 0.658 672 V HN 0.429 nan 8.190 nan 0.000 0.452 673 L N 0.212 121.381 121.223 -0.089 0.000 2.131 673 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 673 L C 2.349 179.173 176.870 -0.077 0.000 1.092 673 L CA 1.825 56.619 54.840 -0.077 0.000 0.759 673 L CB -0.587 41.416 42.059 -0.092 0.000 0.903 673 L HN 0.442 nan 8.230 nan 0.000 0.435 674 D N -0.176 120.176 120.400 -0.080 0.000 2.117 674 D HA -0.226 4.414 4.640 -0.001 0.000 0.197 674 D C 2.191 178.445 176.300 -0.077 0.000 0.987 674 D CA 1.471 55.425 54.000 -0.076 0.000 0.829 674 D CB 0.117 40.878 40.800 -0.064 0.000 0.961 674 D HN 0.293 nan 8.370 nan 0.000 0.460 675 Q N -0.464 119.294 119.800 -0.070 0.000 2.079 675 Q HA -0.031 4.309 4.340 -0.001 0.000 0.200 675 Q C 2.477 178.419 176.000 -0.098 0.000 0.974 675 Q CA 0.828 56.589 55.803 -0.072 0.000 0.840 675 Q CB -0.054 28.642 28.738 -0.068 0.000 0.898 675 Q HN 0.380 nan 8.270 nan 0.000 0.430 676 L N 0.171 121.331 121.223 -0.106 0.000 2.191 676 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 676 L C 2.576 179.371 176.870 -0.126 0.000 1.103 676 L CA 1.023 55.781 54.840 -0.136 0.000 0.769 676 L CB -0.347 41.647 42.059 -0.108 0.000 0.908 676 L HN 0.191 nan 8.230 nan 0.000 0.438 677 R N -0.410 120.026 120.500 -0.107 0.000 2.062 677 R HA -0.115 4.225 4.340 -0.001 0.000 0.229 677 R C 2.424 178.631 176.300 -0.155 0.000 1.128 677 R CA 1.688 57.716 56.100 -0.119 0.000 0.960 677 R CB -0.306 29.915 30.300 -0.132 0.000 0.855 677 R HN 0.327 nan 8.270 nan 0.000 0.432 678 C N 1.664 120.867 119.300 -0.162 0.000 2.432 678 C HA -0.013 4.447 4.460 -0.001 0.000 0.280 678 C C 1.812 176.819 174.990 0.029 0.000 1.353 678 C CA 0.902 59.817 59.018 -0.172 0.000 1.766 678 C CB -1.173 26.540 27.740 -0.045 0.000 1.924 678 C HN 0.698 nan 8.230 nan 0.000 0.509 679 N N 0.069 118.758 118.700 -0.018 0.000 2.270 679 N HA 0.219 4.959 4.740 -0.001 0.000 0.198 679 N C 1.082 176.476 175.510 -0.192 0.000 1.117 679 N CA 0.953 53.970 53.050 -0.055 0.000 0.845 679 N CB -0.257 38.148 38.487 -0.137 0.000 0.980 679 N HN 0.471 nan 8.380 nan 0.000 0.486 680 G N -0.725 108.022 108.800 -0.088 0.000 2.199 680 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.254 680 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.254 680 G C 0.829 175.533 174.900 -0.326 0.000 0.982 680 G CA 0.330 45.301 45.100 -0.215 0.000 0.632 680 G HN 0.239 nan 8.290 nan 0.000 0.529 681 V N 1.213 120.807 119.914 -0.535 0.000 2.343 681 V HA -0.131 3.989 4.120 -0.001 0.000 0.247 681 V C 2.883 178.913 176.094 -0.105 0.000 1.051 681 V CA 2.329 64.356 62.300 -0.454 0.000 1.036 681 V CB -0.451 31.105 31.823 -0.445 0.000 0.654 681 V HN 0.506 nan 8.190 nan 0.000 0.451 682 L N -0.082 121.090 121.223 -0.086 0.000 2.201 682 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 682 L C 2.559 179.438 176.870 0.016 0.000 1.105 682 L CA 1.567 56.392 54.840 -0.025 0.000 0.775 682 L CB -0.540 41.500 42.059 -0.032 0.000 0.913 682 L HN 0.419 nan 8.230 nan 0.000 0.440 683 E N 0.895 121.117 120.200 0.037 0.000 2.106 683 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 683 E C 2.132 178.776 176.600 0.073 0.000 0.984 683 E CA 1.407 57.848 56.400 0.069 0.000 0.806 683 E CB -0.257 29.497 29.700 0.091 0.000 0.750 683 E HN 0.285 nan 8.360 nan 0.000 0.458 684 G N 1.055 109.931 108.800 0.127 0.000 2.418 684 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 684 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 684 G C 1.480 176.435 174.900 0.092 0.000 1.158 684 G CA 0.920 46.144 45.100 0.206 0.000 0.771 684 G HN 0.261 nan 8.290 nan 0.000 0.545 685 I N 0.829 121.444 120.570 0.074 0.000 2.226 685 I HA -0.109 4.061 4.170 -0.001 0.000 0.245 685 I C 2.618 178.732 176.117 -0.005 0.000 1.100 685 I CA 1.044 62.363 61.300 0.032 0.000 1.374 685 I CB -1.038 36.975 38.000 0.021 0.000 1.057 685 I HN 0.212 nan 8.210 nan 0.000 0.413 686 R N 1.005 121.502 120.500 -0.004 0.000 2.083 686 R HA -0.182 4.157 4.340 -0.001 0.000 0.237 686 R C 2.393 178.653 176.300 -0.067 0.000 1.137 686 R CA 1.658 57.747 56.100 -0.019 0.000 0.951 686 R CB -0.216 30.086 30.300 0.003 0.000 0.851 686 R HN 0.273 nan 8.270 nan 0.000 0.434 687 I N -0.053 120.447 120.570 -0.118 0.000 2.252 687 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 687 I C 2.159 178.104 176.117 -0.287 0.000 1.102 687 I CA 1.516 62.639 61.300 -0.296 0.000 1.385 687 I CB -0.334 37.356 38.000 -0.517 0.000 1.064 687 I HN 0.234 nan 8.210 nan 0.000 0.414 688 T N 0.452 114.901 114.554 -0.174 0.000 2.759 688 T HA -0.195 4.155 4.350 -0.001 0.000 0.269 688 T C 1.942 176.595 174.700 -0.078 0.000 1.042 688 T CA 1.303 63.342 62.100 -0.102 0.000 1.140 688 T CB -0.271 68.579 68.868 -0.029 0.000 0.864 688 T HN 0.304 nan 8.240 nan 0.000 0.455 689 R N 0.775 121.231 120.500 -0.073 0.000 2.237 689 R HA 0.045 4.385 4.340 -0.001 0.000 0.219 689 R C 2.216 178.456 176.300 -0.100 0.000 1.080 689 R CA 0.799 56.856 56.100 -0.072 0.000 0.995 689 R CB -0.036 30.238 30.300 -0.043 0.000 0.875 689 R HN 0.361 nan 8.270 nan 0.000 0.462 690 K N -0.317 120.032 120.400 -0.084 0.000 2.418 690 K HA 0.041 4.361 4.320 -0.001 0.000 0.195 690 K C 1.185 177.736 176.600 -0.081 0.000 1.035 690 K CA 0.598 56.861 56.287 -0.040 0.000 1.003 690 K CB 0.604 33.130 32.500 0.044 0.000 0.793 690 K HN 0.195 nan 8.250 nan 0.000 0.494 691 G N 0.280 109.008 108.800 -0.121 0.000 3.310 691 G HA2 0.377 4.337 3.960 -0.001 0.000 0.176 691 G HA3 0.377 4.337 3.960 -0.001 0.000 0.176 691 G C -0.917 173.738 174.900 -0.408 0.000 1.307 691 G CA -0.512 44.510 45.100 -0.131 0.000 0.935 691 G HN 0.044 nan 8.290 nan 0.000 0.628 692 F N 1.727 121.738 119.950 0.102 0.000 2.564 692 F HA 0.372 4.899 4.527 -0.000 0.000 0.368 692 F C -1.457 174.339 175.800 -0.006 0.000 1.127 692 F CA -2.070 55.975 58.000 0.076 0.000 1.170 692 F CB 2.242 41.377 39.000 0.224 0.000 1.397 692 F HN 0.144 nan 8.300 nan 0.000 0.493 693 P HA -0.124 nan 4.420 nan 0.000 0.217 693 P C -0.211 177.064 177.300 -0.042 0.000 1.150 693 P CA 1.135 64.239 63.100 0.007 0.000 0.832 693 P CB 0.349 32.050 31.700 0.002 0.000 0.787 694 N N 1.194 119.910 118.700 0.026 0.000 2.434 694 N HA 0.234 4.974 4.740 -0.001 0.000 0.272 694 N C -0.062 175.424 175.510 -0.039 0.000 1.040 694 N CA -0.090 52.998 53.050 0.062 0.000 0.956 694 N CB 0.763 39.375 38.487 0.208 0.000 1.108 694 N HN 0.105 nan 8.380 nan 0.000 0.481 695 R N 2.071 122.480 120.500 -0.151 0.000 2.473 695 R HA 0.485 4.825 4.340 -0.001 0.000 0.303 695 R C -0.790 175.457 176.300 -0.088 0.000 1.002 695 R CA -0.615 55.283 56.100 -0.336 0.000 0.884 695 R CB 1.447 31.297 30.300 -0.751 0.000 1.173 695 R HN 0.391 nan 8.270 nan 0.000 0.464 696 I N 4.255 124.826 120.570 0.002 0.000 2.406 696 I HA 0.311 4.481 4.170 -0.001 0.000 0.290 696 I C 0.576 176.685 176.117 -0.013 0.000 0.999 696 I CA -1.102 60.252 61.300 0.090 0.000 1.124 696 I CB 1.426 39.624 38.000 0.331 0.000 1.289 696 I HN 0.521 nan 8.210 nan 0.000 0.441 697 I N 5.927 126.513 120.570 0.026 0.000 2.752 697 I HA -0.162 4.008 4.170 -0.001 0.000 0.289 697 I C 1.345 177.523 176.117 0.102 0.000 1.197 697 I CA 0.532 61.848 61.300 0.025 0.000 1.432 697 I CB 0.091 38.136 38.000 0.075 0.000 1.359 697 I HN 0.536 nan 8.210 nan 0.000 0.571 698 Y N 5.573 125.961 120.300 0.146 0.000 2.081 698 Y HA -0.298 4.251 4.550 -0.001 0.000 0.280 698 Y C 2.419 178.447 175.900 0.214 0.000 1.163 698 Y CA 2.254 60.456 58.100 0.170 0.000 1.135 698 Y CB -0.680 37.829 38.460 0.082 0.000 0.970 698 Y HN 0.721 nan 8.280 nan 0.000 0.498 699 A N -0.085 122.916 122.820 0.302 0.000 1.978 699 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 699 A C 1.850 179.541 177.584 0.178 0.000 1.170 699 A CA 2.089 54.247 52.037 0.200 0.000 0.636 699 A CB -0.639 18.436 19.000 0.126 0.000 0.810 699 A HN 0.418 nan 8.150 nan 0.000 0.448 700 D N -1.456 119.054 120.400 0.183 0.000 2.162 700 D HA -0.059 4.581 4.640 -0.001 0.000 0.203 700 D C 1.571 177.972 176.300 0.167 0.000 0.967 700 D CA 0.865 54.946 54.000 0.135 0.000 0.840 700 D CB -0.377 40.495 40.800 0.119 0.000 0.972 700 D HN 0.493 nan 8.370 nan 0.000 0.482 701 F N 1.515 121.566 119.950 0.169 0.000 2.102 701 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 701 F C 2.153 178.111 175.800 0.263 0.000 1.105 701 F CA 1.056 59.225 58.000 0.281 0.000 1.239 701 F CB -0.207 39.010 39.000 0.362 0.000 0.991 701 F HN -0.236 nan 8.300 nan 0.000 0.474 702 V N 0.711 120.858 119.914 0.388 0.000 2.407 702 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 702 V C 2.409 178.594 176.094 0.151 0.000 1.055 702 V CA 2.230 64.701 62.300 0.286 0.000 1.049 702 V CB -0.800 31.198 31.823 0.291 0.000 0.662 702 V HN 0.325 nan 8.190 nan 0.000 0.455 703 K N 0.082 120.523 120.400 0.069 0.000 2.152 703 K HA -0.215 4.105 4.320 -0.001 0.000 0.206 703 K C 2.333 178.942 176.600 0.015 0.000 1.048 703 K CA 1.700 57.990 56.287 0.004 0.000 0.933 703 K CB -0.099 32.394 32.500 -0.011 0.000 0.721 703 K HN 0.322 nan 8.250 nan 0.000 0.447 704 R N -1.271 119.109 120.500 -0.199 0.000 2.112 704 R HA 0.008 4.348 4.340 -0.001 0.000 0.216 704 R C 0.950 176.869 176.300 -0.635 0.000 1.080 704 R CA 0.921 56.716 56.100 -0.508 0.000 0.996 704 R CB 0.194 29.890 30.300 -1.007 0.000 0.902 704 R HN 0.271 nan 8.270 nan 0.000 0.449 705 Y N -0.782 119.382 120.300 -0.227 0.000 2.481 705 Y HA 0.034 4.584 4.550 -0.001 0.000 0.247 705 Y C 1.117 176.879 175.900 -0.230 0.000 1.151 705 Y CA -0.616 57.283 58.100 -0.336 0.000 1.238 705 Y CB 0.247 38.306 38.460 -0.668 0.000 1.179 705 Y HN 0.156 nan 8.280 nan 0.000 0.524 706 Y N 0.308 120.606 120.300 -0.003 0.000 2.228 706 Y HA -0.305 4.245 4.550 -0.000 0.000 0.285 706 Y C 1.861 177.777 175.900 0.027 0.000 1.178 706 Y CA 1.459 59.581 58.100 0.037 0.000 1.202 706 Y CB -1.068 37.399 38.460 0.012 0.000 0.974 706 Y HN 0.222 nan 8.280 nan 0.000 0.527 707 L N -0.902 119.607 121.223 -1.190 0.000 2.551 707 L HA 0.086 4.426 4.340 -0.001 0.000 0.228 707 L C 1.429 178.118 176.870 -0.301 0.000 1.153 707 L CA 0.839 55.221 54.840 -0.763 0.000 0.851 707 L CB -0.509 41.050 42.059 -0.834 0.000 0.959 707 L HN 0.333 nan 8.230 nan 0.000 0.451 708 L N 0.819 121.935 121.223 -0.177 0.000 2.591 708 L HA 0.362 4.701 4.340 -0.001 0.000 0.228 708 L C 0.942 177.812 176.870 0.002 0.000 1.133 708 L CA 0.004 54.823 54.840 -0.036 0.000 0.880 708 L CB -0.254 41.823 42.059 0.030 0.000 1.033 708 L HN 0.424 nan 8.230 nan 0.000 0.450 709 A N -0.570 122.198 122.820 -0.088 0.000 2.515 709 A HA 0.721 5.041 4.320 -0.001 0.000 0.296 709 A C -2.650 174.788 177.584 -0.244 0.000 1.094 709 A CA -1.377 50.519 52.037 -0.236 0.000 0.718 709 A CB 0.991 19.965 19.000 -0.044 0.000 1.307 709 A HN -0.186 nan 8.150 nan 0.000 0.408 710 P HA 0.196 nan 4.420 nan 0.000 0.271 710 P C -0.609 176.654 177.300 -0.062 0.000 1.226 710 P CA 0.320 63.314 63.100 -0.176 0.000 0.765 710 P CB 0.174 31.770 31.700 -0.174 0.000 0.835 711 N N 0.105 118.795 118.700 -0.017 0.000 2.735 711 N HA -0.124 4.616 4.740 -0.001 0.000 0.248 711 N C -0.803 174.736 175.510 0.048 0.000 1.083 711 N CA 0.612 53.675 53.050 0.021 0.000 0.703 711 N CB -1.875 36.618 38.487 0.010 0.000 1.005 711 N HN 0.167 nan 8.380 nan 0.000 0.550 712 V N 0.973 120.938 119.914 0.085 0.000 2.370 712 V HA 0.340 4.460 4.120 -0.001 0.000 0.279 712 V C -1.790 174.411 176.094 0.178 0.000 1.029 712 V CA -1.380 60.993 62.300 0.122 0.000 0.870 712 V CB 1.670 33.583 31.823 0.148 0.000 0.984 712 V HN -0.055 nan 8.190 nan 0.000 0.451 713 P HA 0.212 nan 4.420 nan 0.000 0.271 713 P C 0.723 177.977 177.300 -0.077 0.000 1.216 713 P CA -0.268 62.837 63.100 0.009 0.000 0.776 713 P CB 0.720 32.412 31.700 -0.014 0.000 0.881 714 R N 2.392 122.643 120.500 -0.414 0.000 2.105 714 R HA -0.124 4.216 4.340 -0.001 0.000 0.239 714 R C -0.063 176.085 176.300 -0.253 0.000 1.135 714 R CA 1.484 57.167 56.100 -0.696 0.000 0.967 714 R CB -0.012 29.653 30.300 -1.058 0.000 0.861 714 R HN 0.465 nan 8.270 nan 0.000 0.442 715 D N 0.492 120.790 120.400 -0.169 0.000 2.894 715 D HA 0.158 4.797 4.640 -0.001 0.000 0.273 715 D C -0.728 175.550 176.300 -0.037 0.000 1.328 715 D CA -0.016 53.935 54.000 -0.081 0.000 0.845 715 D CB 0.867 41.619 40.800 -0.080 0.000 1.072 715 D HN 0.267 nan 8.370 nan 0.000 0.484 716 A N 0.878 123.690 122.820 -0.014 0.000 2.587 716 A HA -0.104 4.215 4.320 -0.001 0.000 0.235 716 A C 1.577 179.163 177.584 0.003 0.000 1.044 716 A CA 0.208 52.248 52.037 0.005 0.000 0.754 716 A CB 0.405 19.425 19.000 0.034 0.000 0.968 716 A HN 0.322 nan 8.150 nan 0.000 0.509 717 E N 1.236 121.432 120.200 -0.006 0.000 2.077 717 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 717 E C 0.066 176.656 176.600 -0.017 0.000 0.989 717 E CA 1.254 57.647 56.400 -0.011 0.000 0.800 717 E CB 0.121 29.812 29.700 -0.015 0.000 0.746 717 E HN 0.720 nan 8.360 nan 0.000 0.452 718 D N 0.010 120.395 120.400 -0.026 0.000 2.485 718 D HA 0.102 4.742 4.640 -0.001 0.000 0.221 718 D C 0.044 176.311 176.300 -0.056 0.000 1.112 718 D CA -0.093 53.874 54.000 -0.055 0.000 0.911 718 D CB 1.171 41.929 40.800 -0.070 0.000 1.019 718 D HN -0.003 nan 8.370 nan 0.000 0.516 719 S N 2.604 118.279 115.700 -0.042 0.000 2.399 719 S HA -0.169 4.300 4.470 -0.001 0.000 0.231 719 S C 1.770 176.309 174.600 -0.101 0.000 1.022 719 S CA 0.902 59.109 58.200 0.013 0.000 0.983 719 S CB 0.165 63.430 63.200 0.107 0.000 0.803 719 S HN 0.585 nan 8.310 nan 0.000 0.480 720 Q N 0.974 120.549 119.800 -0.376 0.000 2.046 720 Q HA -0.020 4.319 4.340 -0.001 0.000 0.200 720 Q C 2.170 177.921 176.000 -0.415 0.000 0.975 720 Q CA 0.996 56.365 55.803 -0.723 0.000 0.836 720 Q CB -0.142 28.066 28.738 -0.883 0.000 0.896 720 Q HN 0.465 nan 8.270 nan 0.000 0.428 721 K N 0.364 120.606 120.400 -0.262 0.000 2.097 721 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 721 K C 2.093 178.658 176.600 -0.059 0.000 1.049 721 K CA 1.076 57.267 56.287 -0.160 0.000 0.933 721 K CB -0.151 32.287 32.500 -0.103 0.000 0.717 721 K HN 0.128 nan 8.250 nan 0.000 0.442 722 A N 0.975 123.790 122.820 -0.008 0.000 1.902 722 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 722 A C 2.233 179.920 177.584 0.173 0.000 1.181 722 A CA 1.976 54.067 52.037 0.090 0.000 0.623 722 A CB -0.883 18.189 19.000 0.120 0.000 0.818 722 A HN 0.231 nan 8.150 nan 0.000 0.443 723 T N -0.262 114.396 114.554 0.174 0.000 2.746 723 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 723 T C 1.731 176.538 174.700 0.180 0.000 1.039 723 T CA 1.671 63.932 62.100 0.268 0.000 1.142 723 T CB -0.396 68.620 68.868 0.247 0.000 0.866 723 T HN 0.597 nan 8.240 nan 0.000 0.444 724 D N 1.086 121.520 120.400 0.057 0.000 2.144 724 D HA -0.026 4.614 4.640 -0.001 0.000 0.199 724 D C 2.212 178.607 176.300 0.159 0.000 0.984 724 D CA 1.192 55.272 54.000 0.132 0.000 0.834 724 D CB -0.335 40.444 40.800 -0.035 0.000 0.955 724 D HN 0.350 nan 8.370 nan 0.000 0.465 725 A N -0.188 122.708 122.820 0.127 0.000 1.902 725 A HA -0.113 4.207 4.320 -0.001 0.000 0.217 725 A C 2.543 180.241 177.584 0.190 0.000 1.181 725 A CA 1.574 53.694 52.037 0.139 0.000 0.623 725 A CB -0.744 18.318 19.000 0.102 0.000 0.818 725 A HN 0.207 nan 8.150 nan 0.000 0.443 726 V N 0.120 120.174 119.914 0.233 0.000 2.307 726 V HA -0.235 3.884 4.120 -0.001 0.000 0.245 726 V C 2.567 178.819 176.094 0.263 0.000 1.045 726 V CA 1.887 64.352 62.300 0.276 0.000 1.024 726 V CB -0.744 31.328 31.823 0.416 0.000 0.651 726 V HN 0.567 nan 8.190 nan 0.000 0.449 727 L N -0.552 120.805 121.223 0.224 0.000 2.046 727 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 727 L C 2.583 179.559 176.870 0.177 0.000 1.077 727 L CA 1.765 56.689 54.840 0.139 0.000 0.747 727 L CB -0.628 41.381 42.059 -0.084 0.000 0.896 727 L HN 0.275 nan 8.230 nan 0.000 0.432 728 K N -1.200 119.318 120.400 0.196 0.000 2.057 728 K HA -0.203 4.117 4.320 -0.001 0.000 0.206 728 K C 2.222 178.918 176.600 0.159 0.000 1.050 728 K CA 1.057 57.453 56.287 0.182 0.000 0.935 728 K CB -0.276 32.330 32.500 0.176 0.000 0.715 728 K HN 0.338 nan 8.250 nan 0.000 0.439 729 H N 0.797 119.928 119.070 0.102 0.000 2.387 729 H HA -0.046 4.510 4.556 -0.001 0.000 0.299 729 H C 1.652 177.026 175.328 0.075 0.000 1.090 729 H CA 1.197 57.294 56.048 0.081 0.000 1.332 729 H CB 0.174 29.980 29.762 0.074 0.000 1.386 729 H HN 0.117 nan 8.280 nan 0.000 0.516 730 L N 0.589 121.867 121.223 0.091 0.000 2.610 730 L HA -0.061 4.279 4.340 -0.001 0.000 0.232 730 L C 0.222 177.103 176.870 0.018 0.000 1.149 730 L CA 0.186 55.047 54.840 0.034 0.000 0.872 730 L CB -0.124 41.993 42.059 0.096 0.000 0.992 730 L HN 0.280 nan 8.230 nan 0.000 0.447 731 N N 0.567 119.289 118.700 0.037 0.000 2.740 731 N HA -0.168 4.572 4.740 -0.001 0.000 0.248 731 N C -0.217 175.350 175.510 0.096 0.000 1.062 731 N CA 0.584 53.666 53.050 0.054 0.000 0.704 731 N CB -1.119 37.372 38.487 0.008 0.000 0.968 731 N HN 0.130 nan 8.380 nan 0.000 0.547 732 I N 0.835 121.500 120.570 0.158 0.000 2.588 732 I HA 0.003 4.172 4.170 -0.001 0.000 0.283 732 I C 1.263 177.514 176.117 0.224 0.000 1.119 732 I CA -0.373 61.055 61.300 0.213 0.000 1.419 732 I CB 0.384 38.572 38.000 0.313 0.000 1.394 732 I HN 0.097 nan 8.210 nan 0.000 0.562 733 D N 9.048 129.532 120.400 0.140 0.000 2.412 733 D HA 0.037 4.677 4.640 -0.001 0.000 0.257 733 D C -1.738 174.534 176.300 -0.047 0.000 1.217 733 D CA -1.420 52.611 54.000 0.051 0.000 0.897 733 D CB 1.082 41.899 40.800 0.027 0.000 1.132 733 D HN 0.219 nan 8.370 nan 0.000 0.493 734 P HA -0.136 nan 4.420 nan 0.000 0.221 734 P C 0.869 177.806 177.300 -0.605 0.000 1.145 734 P CA 0.741 63.461 63.100 -0.633 0.000 0.795 734 P CB 0.271 31.783 31.700 -0.313 0.000 0.775 735 E N -0.196 119.848 120.200 -0.259 0.000 2.268 735 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 735 E C 1.567 178.095 176.600 -0.120 0.000 0.995 735 E CA 1.084 57.398 56.400 -0.145 0.000 0.836 735 E CB -0.666 28.998 29.700 -0.059 0.000 0.763 735 E HN 0.129 nan 8.360 nan 0.000 0.491 736 Q N -0.534 119.192 119.800 -0.123 0.000 2.444 736 Q HA 0.073 4.413 4.340 -0.001 0.000 0.206 736 Q C -0.363 175.781 176.000 0.240 0.000 0.948 736 Q CA 0.249 56.073 55.803 0.034 0.000 0.946 736 Q CB -0.014 28.796 28.738 0.120 0.000 1.027 736 Q HN 0.424 nan 8.270 nan 0.000 0.513 737 Y N -2.880 117.503 120.300 0.138 0.000 2.670 737 Y HA 0.785 5.335 4.550 -0.001 0.000 0.334 737 Y C -0.743 175.037 175.900 -0.200 0.000 1.185 737 Y CA -1.592 56.506 58.100 -0.003 0.000 1.053 737 Y CB 1.020 39.269 38.460 -0.352 0.000 1.298 737 Y HN -0.356 nan 8.280 nan 0.000 0.459 738 R N 1.179 121.570 120.500 -0.182 0.000 2.604 738 R HA 0.418 4.758 4.340 -0.001 0.000 0.281 738 R C -2.102 174.042 176.300 -0.260 0.000 1.020 738 R CA -1.007 54.876 56.100 -0.360 0.000 0.899 738 R CB 1.855 31.780 30.300 -0.624 0.000 1.205 738 R HN 0.676 nan 8.270 nan 0.000 0.450 739 F N 0.530 120.471 119.950 -0.016 0.000 2.427 739 F HA 0.511 5.037 4.527 -0.001 0.000 0.352 739 F C 1.467 177.228 175.800 -0.065 0.000 1.100 739 F CA -0.061 57.959 58.000 0.034 0.000 1.191 739 F CB 1.148 40.218 39.000 0.118 0.000 1.128 739 F HN 0.548 nan 8.300 nan 0.000 0.533 740 G N 2.519 111.417 108.800 0.163 0.000 2.601 740 G HA2 0.493 4.452 3.960 -0.001 0.000 0.317 740 G HA3 0.493 4.452 3.960 -0.001 0.000 0.317 740 G C 0.773 175.780 174.900 0.177 0.000 1.246 740 G CA -0.761 44.332 45.100 -0.011 0.000 1.012 740 G HN 0.617 nan 8.290 nan 0.000 0.494 741 I N -0.334 120.287 120.570 0.085 0.000 2.286 741 I HA -0.089 4.081 4.170 -0.001 0.000 0.248 741 I C 2.656 178.899 176.117 0.210 0.000 1.115 741 I CA 2.060 63.425 61.300 0.108 0.000 1.392 741 I CB 0.134 38.161 38.000 0.044 0.000 1.065 741 I HN 0.613 nan 8.210 nan 0.000 0.418 742 T N -3.897 110.781 114.554 0.207 0.000 2.975 742 T HA 0.307 4.657 4.350 -0.001 0.000 0.261 742 T C 0.471 175.229 174.700 0.097 0.000 0.984 742 T CA -0.411 61.829 62.100 0.233 0.000 0.911 742 T CB 0.331 69.273 68.868 0.123 0.000 1.127 742 T HN 0.038 nan 8.240 nan 0.000 0.514 743 K N 0.510 120.845 120.400 -0.108 0.000 2.482 743 K HA 0.658 4.978 4.320 -0.001 0.000 0.257 743 K C -1.667 174.599 176.600 -0.556 0.000 0.969 743 K CA -0.966 55.071 56.287 -0.417 0.000 0.842 743 K CB 2.914 35.393 32.500 -0.034 0.000 1.359 743 K HN 0.182 nan 8.250 nan 0.000 0.441 744 I N 1.644 121.832 120.570 -0.637 0.000 2.359 744 I HA 0.371 4.541 4.170 -0.001 0.000 0.294 744 I C -1.324 174.670 176.117 -0.206 0.000 0.987 744 I CA -0.729 60.323 61.300 -0.414 0.000 1.225 744 I CB 0.452 38.095 38.000 -0.595 0.000 1.366 744 I HN 0.377 nan 8.210 nan 0.000 0.466 745 F N 7.470 127.139 119.950 -0.468 0.000 2.408 745 F HA 0.492 5.018 4.527 -0.001 0.000 0.344 745 F C -0.466 175.214 175.800 -0.200 0.000 1.112 745 F CA -0.395 57.440 58.000 -0.275 0.000 1.096 745 F CB 1.101 39.904 39.000 -0.329 0.000 1.129 745 F HN 0.238 nan 8.300 nan 0.000 0.486 746 F N 2.691 122.832 119.950 0.319 0.000 2.532 746 F HA 0.543 5.070 4.527 -0.000 0.000 0.321 746 F C 0.559 176.453 175.800 0.157 0.000 1.089 746 F CA -1.114 57.054 58.000 0.280 0.000 0.926 746 F CB 1.509 40.584 39.000 0.125 0.000 1.168 746 F HN 0.245 nan 8.300 nan 0.000 0.459 747 R N 1.135 121.738 120.500 0.170 0.000 2.707 747 R HA 0.529 4.868 4.340 -0.001 0.000 0.270 747 R C -0.100 176.167 176.300 -0.054 0.000 1.083 747 R CA -0.558 55.412 56.100 -0.216 0.000 1.182 747 R CB 0.609 30.698 30.300 -0.352 0.000 1.084 747 R HN 0.761 nan 8.270 nan 0.000 0.528 748 A N 0.634 123.391 122.820 -0.106 0.000 2.561 748 A HA 0.319 4.638 4.320 -0.001 0.000 0.234 748 A C 1.335 178.896 177.584 -0.038 0.000 1.055 748 A CA 0.883 52.882 52.037 -0.063 0.000 0.756 748 A CB -0.417 18.559 19.000 -0.041 0.000 0.986 748 A HN 0.907 nan 8.150 nan 0.000 0.505 749 G N 0.875 109.610 108.800 -0.109 0.000 2.347 749 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.247 749 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.247 749 G C 1.193 175.989 174.900 -0.173 0.000 1.037 749 G CA 1.243 46.267 45.100 -0.125 0.000 0.622 749 G HN 1.047 nan 8.290 nan 0.000 0.521 750 Q N 0.134 119.877 119.800 -0.095 0.000 2.119 750 Q HA 0.198 4.537 4.340 -0.001 0.000 0.201 750 Q C 2.465 178.288 176.000 -0.295 0.000 0.972 750 Q CA 2.179 57.931 55.803 -0.085 0.000 0.847 750 Q CB -0.357 28.443 28.738 0.103 0.000 0.903 750 Q HN 0.751 nan 8.270 nan 0.000 0.433 751 L N -0.111 120.857 121.223 -0.426 0.000 2.156 751 L HA 0.093 4.433 4.340 -0.001 0.000 0.208 751 L C 2.000 178.743 176.870 -0.211 0.000 1.095 751 L CA 1.842 56.392 54.840 -0.483 0.000 0.770 751 L CB -0.911 40.958 42.059 -0.317 0.000 0.914 751 L HN 0.241 nan 8.230 nan 0.000 0.439 752 A N -0.427 122.195 122.820 -0.329 0.000 1.933 752 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 752 A C 2.415 179.906 177.584 -0.155 0.000 1.175 752 A CA 1.695 53.524 52.037 -0.347 0.000 0.628 752 A CB -0.504 17.795 19.000 -1.169 0.000 0.814 752 A HN 0.475 nan 8.150 nan 0.000 0.444 753 R N -0.722 119.687 120.500 -0.152 0.000 2.115 753 R HA 0.014 4.353 4.340 -0.001 0.000 0.230 753 R C 1.915 178.166 176.300 -0.081 0.000 1.111 753 R CA 1.396 57.473 56.100 -0.038 0.000 0.976 753 R CB -0.404 29.901 30.300 0.008 0.000 0.870 753 R HN 0.574 nan 8.270 nan 0.000 0.445 754 I N 0.386 120.842 120.570 -0.190 0.000 2.286 754 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 754 I C 2.433 178.389 176.117 -0.270 0.000 1.104 754 I CA 1.054 62.167 61.300 -0.311 0.000 1.397 754 I CB -0.132 37.540 38.000 -0.547 0.000 1.072 754 I HN 0.102 nan 8.210 nan 0.000 0.417 755 E N 1.538 121.661 120.200 -0.128 0.000 2.077 755 E HA -0.242 4.108 4.350 -0.001 0.000 0.193 755 E C 1.914 178.561 176.600 0.079 0.000 0.989 755 E CA 1.584 58.046 56.400 0.103 0.000 0.800 755 E CB -0.044 29.780 29.700 0.207 0.000 0.746 755 E HN 0.418 nan 8.360 nan 0.000 0.452 756 E N -0.122 120.108 120.200 0.049 0.000 2.085 756 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 756 E C 2.042 178.656 176.600 0.023 0.000 0.994 756 E CA 1.140 57.567 56.400 0.045 0.000 0.801 756 E CB -0.266 29.465 29.700 0.051 0.000 0.743 756 E HN 0.400 nan 8.360 nan 0.000 0.453 757 A N 1.448 124.270 122.820 0.005 0.000 1.933 757 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 757 A C 2.103 179.693 177.584 0.011 0.000 1.175 757 A CA 1.695 53.733 52.037 0.002 0.000 0.628 757 A CB -0.487 18.506 19.000 -0.011 0.000 0.814 757 A HN 0.115 nan 8.150 nan 0.000 0.444 758 R N -0.085 120.437 120.500 0.037 0.000 2.073 758 R HA -0.165 4.175 4.340 -0.001 0.000 0.234 758 R C 2.021 178.324 176.300 0.004 0.000 1.134 758 R CA 1.797 57.925 56.100 0.045 0.000 0.952 758 R CB -0.334 30.052 30.300 0.143 0.000 0.850 758 R HN 0.675 nan 8.270 nan 0.000 0.433 759 E N 0.224 120.432 120.200 0.014 0.000 2.058 759 E HA -0.268 4.082 4.350 -0.001 0.000 0.194 759 E C 2.226 178.820 176.600 -0.009 0.000 0.997 759 E CA 1.795 58.193 56.400 -0.003 0.000 0.801 759 E CB -0.058 29.651 29.700 0.014 0.000 0.746 759 E HN 0.487 nan 8.360 nan 0.000 0.450 760 Q N 0.190 119.988 119.800 -0.004 0.000 2.084 760 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 760 Q C 2.209 178.202 176.000 -0.012 0.000 0.978 760 Q CA 1.455 57.254 55.803 -0.007 0.000 0.844 760 Q CB -0.110 28.627 28.738 -0.002 0.000 0.898 760 Q HN -0.003 nan 8.270 nan 0.000 0.426 761 R N 0.766 121.257 120.500 -0.015 0.000 2.081 761 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 761 R C 1.781 178.061 176.300 -0.033 0.000 1.131 761 R CA 1.354 57.440 56.100 -0.024 0.000 0.960 761 R CB -0.305 29.974 30.300 -0.035 0.000 0.856 761 R HN 0.268 nan 8.270 nan 0.000 0.436 762 I N 0.395 120.941 120.570 -0.040 0.000 2.315 762 I HA -0.242 3.928 4.170 -0.001 0.000 0.248 762 I C 2.166 178.264 176.117 -0.031 0.000 1.117 762 I CA 1.472 62.745 61.300 -0.044 0.000 1.404 762 I CB -0.299 37.666 38.000 -0.059 0.000 1.071 762 I HN 0.315 nan 8.210 nan 0.000 0.419 763 S N 0.260 115.945 115.700 -0.025 0.000 2.383 763 S HA -0.193 4.276 4.470 -0.001 0.000 0.227 763 S C 1.792 176.384 174.600 -0.014 0.000 1.026 763 S CA 1.027 59.217 58.200 -0.018 0.000 0.981 763 S CB -0.496 62.696 63.200 -0.014 0.000 0.818 763 S HN 0.452 nan 8.310 nan 0.000 0.472 764 E N 1.149 121.341 120.200 -0.014 0.000 2.058 764 E HA -0.018 4.332 4.350 -0.001 0.000 0.194 764 E C 0.782 177.376 176.600 -0.010 0.000 0.997 764 E CA 1.044 57.438 56.400 -0.010 0.000 0.801 764 E CB -0.340 29.355 29.700 -0.008 0.000 0.746 764 E HN 0.591 nan 8.360 nan 0.000 0.450 765 I N 0.000 120.561 120.570 -0.015 0.000 2.984 765 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 765 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 765 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 765 I HN 0.000 nan 8.210 nan 0.000 0.494