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 1jl8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.223 176.300 -0.128 0.000 1.140 1 M CA 0.000 55.247 55.300 -0.088 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.093 0.000 1.302 2 L N 4.771 125.926 121.223 -0.113 0.000 2.312 2 L HA 0.381 4.720 4.340 -0.001 0.000 0.287 2 L C 0.609 177.362 176.870 -0.194 0.000 1.091 2 L CA -0.118 54.646 54.840 -0.126 0.000 0.846 2 L CB 0.523 42.538 42.059 -0.072 0.000 1.219 2 L HN 0.916 nan 8.230 nan 0.000 0.439 3 L N 3.051 124.069 121.223 -0.343 0.000 2.275 3 L HA -0.115 4.224 4.340 -0.001 0.000 0.215 3 L C 1.867 178.536 176.870 -0.334 0.000 1.119 3 L CA 0.580 55.034 54.840 -0.644 0.000 0.790 3 L CB -0.460 40.876 42.059 -1.205 0.000 0.919 3 L HN 0.676 nan 8.230 nan 0.000 0.443 4 E N 0.838 120.953 120.200 -0.142 0.000 2.478 4 E HA -0.073 4.276 4.350 -0.001 0.000 0.198 4 E C 1.699 178.339 176.600 0.067 0.000 1.046 4 E CA 0.968 57.370 56.400 0.003 0.000 0.870 4 E CB -0.018 29.690 29.700 0.012 0.000 0.818 4 E HN 0.451 nan 8.360 nan 0.000 0.527 5 A N 1.035 123.893 122.820 0.063 0.000 2.348 5 A HA 0.206 4.526 4.320 -0.001 0.000 0.224 5 A C 0.894 178.576 177.584 0.163 0.000 1.227 5 A CA -0.343 51.807 52.037 0.188 0.000 0.885 5 A CB 0.167 19.309 19.000 0.236 0.000 0.933 5 A HN 0.028 nan 8.150 nan 0.000 0.506 6 I N 0.323 120.941 120.570 0.080 0.000 2.441 6 I HA 0.340 4.509 4.170 -0.001 0.000 0.287 6 I C -0.598 175.623 176.117 0.174 0.000 1.049 6 I CA 0.073 61.403 61.300 0.050 0.000 1.381 6 I CB 0.304 38.237 38.000 -0.113 0.000 1.409 6 I HN 0.245 nan 8.210 nan 0.000 0.523 7 F N 6.253 126.200 119.950 -0.006 0.000 2.591 7 F HA 0.584 5.111 4.527 -0.001 0.000 0.309 7 F C -0.695 175.137 175.800 0.054 0.000 1.098 7 F CA -0.454 57.551 58.000 0.008 0.000 0.937 7 F CB 1.624 40.504 39.000 -0.200 0.000 1.250 7 F HN 0.580 nan 8.300 nan 0.000 0.447 8 H N 2.112 120.435 119.070 -1.246 0.000 3.003 8 H HA 0.548 5.104 4.556 -0.001 0.000 0.327 8 H C -1.976 172.665 175.328 -1.145 0.000 1.353 8 H CA -0.550 54.907 56.048 -0.987 0.000 1.142 8 H CB 1.915 31.341 29.762 -0.561 0.000 1.864 8 H HN 0.716 nan 8.280 nan 0.000 0.529 9 E N 1.528 120.801 120.200 -1.546 0.000 2.354 9 E HA 0.559 4.909 4.350 -0.001 0.000 0.283 9 E C -1.375 174.817 176.600 -0.681 0.000 0.938 9 E CA -0.523 55.391 56.400 -0.811 0.000 0.777 9 E CB 1.501 30.926 29.700 -0.459 0.000 1.222 9 E HN 0.730 nan 8.360 nan 0.000 0.423 10 A N 4.711 127.412 122.820 -0.198 0.000 3.019 10 A HA 0.290 4.609 4.320 -0.001 0.000 0.262 10 A C -0.209 177.508 177.584 0.222 0.000 1.509 10 A CA 0.437 52.554 52.037 0.134 0.000 1.159 10 A CB -0.763 18.408 19.000 0.285 0.000 1.042 10 A HN 0.505 nan 8.150 nan 0.000 0.641 11 K N -3.196 117.310 120.400 0.176 0.000 2.756 11 K HA 0.628 4.947 4.320 -0.001 0.000 0.286 11 K C 0.646 177.390 176.600 0.240 0.000 1.029 11 K CA -0.479 55.952 56.287 0.239 0.000 0.791 11 K CB -0.373 32.205 32.500 0.129 0.000 1.481 11 K HN 1.324 nan 8.250 nan 0.000 0.360 12 G N 0.612 109.543 108.800 0.218 0.000 2.622 12 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.307 12 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.307 12 G C 0.587 175.615 174.900 0.213 0.000 1.226 12 G CA 0.584 45.806 45.100 0.202 0.000 0.997 12 G HN 0.722 nan 8.290 nan 0.000 0.551 13 S N 0.000 115.839 115.700 0.230 0.000 2.605 13 S HA 0.339 4.808 4.470 -0.001 0.000 0.217 13 S C 1.095 175.775 174.600 0.133 0.000 0.958 13 S CA 0.850 59.109 58.200 0.098 0.000 0.919 13 S CB 0.025 63.235 63.200 0.017 0.000 0.780 13 S HN 0.461 nan 8.310 nan 0.000 0.507 14 Y N 0.995 121.432 120.300 0.230 0.000 2.445 14 Y HA 0.568 5.117 4.550 -0.001 0.000 0.247 14 Y C 0.681 176.717 175.900 0.226 0.000 1.129 14 Y CA -0.419 57.811 58.100 0.217 0.000 1.251 14 Y CB 0.736 39.231 38.460 0.058 0.000 1.176 14 Y HN 0.182 nan 8.280 nan 0.000 0.522 15 A N 0.325 123.374 122.820 0.382 0.000 2.550 15 A HA 0.633 4.952 4.320 -0.001 0.000 0.282 15 A C -1.691 176.053 177.584 0.266 0.000 1.071 15 A CA -0.525 51.640 52.037 0.214 0.000 0.838 15 A CB -0.306 18.849 19.000 0.257 0.000 1.361 15 A HN 0.271 nan 8.150 nan 0.000 0.408 16 Y N -0.182 120.051 120.300 -0.112 0.000 2.592 16 Y HA 0.826 5.375 4.550 -0.001 0.000 0.334 16 Y C -3.445 172.335 175.900 -0.200 0.000 1.136 16 Y CA -2.758 55.290 58.100 -0.086 0.000 1.042 16 Y CB 1.058 39.559 38.460 0.068 0.000 1.325 16 Y HN 0.329 nan 8.280 nan 0.000 0.457 17 P HA 0.321 nan 4.420 nan 0.000 0.278 17 P C 0.433 177.728 177.300 -0.009 0.000 1.238 17 P CA -0.358 62.662 63.100 -0.133 0.000 0.794 17 P CB 1.154 32.846 31.700 -0.014 0.000 0.955 18 I N -0.631 119.876 120.570 -0.106 0.000 4.139 18 I HA 0.326 4.496 4.170 -0.001 0.000 0.335 18 I C 0.251 176.356 176.117 -0.019 0.000 1.327 18 I CA 0.022 61.302 61.300 -0.034 0.000 1.112 18 I CB 0.344 38.285 38.000 -0.099 0.000 1.058 18 I HN 0.295 nan 8.210 nan 0.000 0.396 19 S N -0.352 115.324 115.700 -0.039 0.000 2.661 19 S HA 0.249 4.718 4.470 -0.001 0.000 0.268 19 S C 0.300 174.881 174.600 -0.032 0.000 1.162 19 S CA -0.343 57.844 58.200 -0.022 0.000 0.817 19 S CB 1.220 64.396 63.200 -0.039 0.000 1.141 19 S HN 0.246 nan 8.310 nan 0.000 0.477 20 E N -0.093 120.095 120.200 -0.021 0.000 2.347 20 E HA -0.026 4.323 4.350 -0.001 0.000 0.196 20 E C 1.013 177.563 176.600 -0.084 0.000 1.008 20 E CA 1.520 57.900 56.400 -0.035 0.000 0.852 20 E CB -0.037 29.657 29.700 -0.011 0.000 0.783 20 E HN 0.749 nan 8.360 nan 0.000 0.505 21 T N -2.054 112.451 114.554 -0.082 0.000 3.200 21 T HA 0.120 4.469 4.350 -0.001 0.000 0.284 21 T C -0.129 174.501 174.700 -0.117 0.000 1.009 21 T CA -0.735 61.308 62.100 -0.096 0.000 0.907 21 T CB 0.199 69.028 68.868 -0.064 0.000 1.120 21 T HN 0.100 nan 8.240 nan 0.000 0.534 22 Q N 0.692 120.405 119.800 -0.146 0.000 2.289 22 Q HA 0.712 5.051 4.340 -0.001 0.000 0.270 22 Q C -1.950 173.886 176.000 -0.273 0.000 1.038 22 Q CA -1.249 54.438 55.803 -0.193 0.000 0.812 22 Q CB 2.184 30.831 28.738 -0.153 0.000 1.300 22 Q HN 0.176 nan 8.270 nan 0.000 0.427 23 L N 2.044 123.045 121.223 -0.369 0.000 2.313 23 L HA 0.558 4.897 4.340 -0.001 0.000 0.283 23 L C -0.708 175.847 176.870 -0.525 0.000 1.013 23 L CA -0.436 54.108 54.840 -0.494 0.000 0.816 23 L CB 1.756 43.469 42.059 -0.577 0.000 1.236 23 L HN 0.764 nan 8.230 nan 0.000 0.419 24 R N 3.350 123.467 120.500 -0.638 0.000 2.357 24 R HA 0.720 5.059 4.340 -0.001 0.000 0.296 24 R C -1.619 174.384 176.300 -0.494 0.000 1.052 24 R CA -0.354 55.378 56.100 -0.615 0.000 0.988 24 R CB 1.108 30.865 30.300 -0.904 0.000 1.025 24 R HN 0.536 nan 8.270 nan 0.000 0.469 25 V N 5.381 125.122 119.914 -0.289 0.000 2.577 25 V HA 0.512 4.632 4.120 -0.001 0.000 0.303 25 V C -0.436 175.706 176.094 0.078 0.000 1.042 25 V CA -0.757 61.482 62.300 -0.101 0.000 0.872 25 V CB 1.881 33.553 31.823 -0.252 0.000 0.998 25 V HN 0.819 nan 8.190 nan 0.000 0.423 26 R N 3.869 124.515 120.500 0.243 0.000 2.740 26 R HA 0.803 5.142 4.340 -0.001 0.000 0.282 26 R C -1.440 175.117 176.300 0.430 0.000 0.969 26 R CA -0.819 55.431 56.100 0.249 0.000 0.918 26 R CB 2.735 33.065 30.300 0.050 0.000 1.175 26 R HN 0.587 nan 8.270 nan 0.000 0.464 27 L N 1.589 122.997 121.223 0.308 0.000 2.436 27 L HA 0.540 4.879 4.340 -0.001 0.000 0.268 27 L C -1.051 175.992 176.870 0.289 0.000 0.974 27 L CA -0.684 54.273 54.840 0.195 0.000 0.826 27 L CB 2.011 43.906 42.059 -0.274 0.000 1.291 27 L HN 0.559 nan 8.230 nan 0.000 0.406 28 R N 3.914 124.568 120.500 0.258 0.000 2.460 28 R HA 0.913 5.253 4.340 -0.001 0.000 0.303 28 R C -1.413 174.922 176.300 0.059 0.000 0.968 28 R CA -0.174 55.940 56.100 0.023 0.000 0.889 28 R CB 1.764 32.016 30.300 -0.080 0.000 1.123 28 R HN 0.789 nan 8.270 nan 0.000 0.455 29 A N 3.385 126.277 122.820 0.121 0.000 2.587 29 A HA 0.327 4.647 4.320 -0.001 0.000 0.293 29 A C -1.351 176.426 177.584 0.321 0.000 1.087 29 A CA -0.895 51.270 52.037 0.214 0.000 0.692 29 A CB 1.365 20.488 19.000 0.205 0.000 1.291 29 A HN 0.751 nan 8.150 nan 0.000 0.407 30 K N 1.006 121.547 120.400 0.236 0.000 2.524 30 K HA 0.006 4.325 4.320 -0.001 0.000 0.279 30 K C 0.181 176.796 176.600 0.026 0.000 0.993 30 K CA 0.182 56.508 56.287 0.065 0.000 1.030 30 K CB 0.253 32.748 32.500 -0.010 0.000 0.891 30 K HN 0.646 nan 8.250 nan 0.000 0.488 31 K N 2.712 123.073 120.400 -0.066 0.000 2.466 31 K HA -0.085 4.234 4.320 -0.001 0.000 0.278 31 K C 0.672 177.269 176.600 -0.006 0.000 1.048 31 K CA 1.300 57.568 56.287 -0.031 0.000 1.088 31 K CB -0.136 32.319 32.500 -0.075 0.000 0.884 31 K HN 0.825 nan 8.250 nan 0.000 0.478 32 G N 3.656 112.477 108.800 0.035 0.000 2.176 32 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.253 32 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.253 32 G C 0.586 175.515 174.900 0.049 0.000 0.979 32 G CA 0.414 45.538 45.100 0.040 0.000 0.641 32 G HN 0.768 nan 8.290 nan 0.000 0.530 33 D N -0.482 119.953 120.400 0.058 0.000 2.194 33 D HA 0.255 4.895 4.640 -0.001 0.000 0.204 33 D C 1.154 177.482 176.300 0.047 0.000 0.964 33 D CA 1.193 55.216 54.000 0.038 0.000 0.846 33 D CB 0.332 41.146 40.800 0.023 0.000 0.962 33 D HN 0.365 nan 8.370 nan 0.000 0.490 34 V N 0.801 120.784 119.914 0.115 0.000 2.540 34 V HA 0.209 4.328 4.120 -0.001 0.000 0.302 34 V C 1.008 177.194 176.094 0.154 0.000 1.035 34 V CA -0.564 61.770 62.300 0.057 0.000 0.873 34 V CB 2.083 33.855 31.823 -0.085 0.000 0.992 34 V HN 0.009 nan 8.190 nan 0.000 0.428 35 V N 1.906 121.854 119.914 0.056 0.000 3.645 35 V HA 0.516 4.636 4.120 -0.001 0.000 0.275 35 V C 0.529 176.665 176.094 0.070 0.000 1.356 35 V CA 0.306 62.670 62.300 0.106 0.000 1.051 35 V CB 0.023 31.887 31.823 0.067 0.000 0.828 35 V HN 0.787 nan 8.190 nan 0.000 0.441 36 R N -0.188 120.278 120.500 -0.057 0.000 2.522 36 R HA 0.577 4.916 4.340 -0.001 0.000 0.273 36 R C -2.116 174.059 176.300 -0.208 0.000 1.133 36 R CA -0.056 56.002 56.100 -0.071 0.000 0.969 36 R CB 1.770 32.059 30.300 -0.019 0.000 1.235 36 R HN 0.371 nan 8.270 nan 0.000 0.433 37 C N 4.169 123.326 119.300 -0.238 0.000 2.364 37 C HA 0.613 5.072 4.460 -0.001 0.000 0.324 37 C C -0.798 174.182 174.990 -0.018 0.000 1.234 37 C CA -0.207 58.664 59.018 -0.244 0.000 1.417 37 C CB 1.131 28.511 27.740 -0.599 0.000 2.101 37 C HN 0.934 nan 8.230 nan 0.000 0.466 38 E N 3.355 123.586 120.200 0.051 0.000 2.277 38 E HA 0.658 5.007 4.350 -0.001 0.000 0.266 38 E C -1.303 175.381 176.600 0.140 0.000 0.901 38 E CA -0.733 55.727 56.400 0.100 0.000 0.782 38 E CB 2.429 32.185 29.700 0.093 0.000 1.228 38 E HN 0.538 nan 8.360 nan 0.000 0.424 39 V N 3.055 123.027 119.914 0.097 0.000 2.443 39 V HA 0.290 4.409 4.120 -0.001 0.000 0.293 39 V C -0.990 175.138 176.094 0.057 0.000 1.021 39 V CA -0.793 61.505 62.300 -0.002 0.000 0.848 39 V CB 1.090 32.849 31.823 -0.107 0.000 0.998 39 V HN 0.447 nan 8.190 nan 0.000 0.424 40 L N 6.849 128.063 121.223 -0.015 0.000 2.296 40 L HA 0.694 5.033 4.340 -0.001 0.000 0.286 40 L C -0.407 176.483 176.870 0.035 0.000 1.023 40 L CA -0.188 54.568 54.840 -0.140 0.000 0.812 40 L CB 0.929 42.839 42.059 -0.247 0.000 1.223 40 L HN 0.741 nan 8.230 nan 0.000 0.421 41 Y N 1.450 121.684 120.300 -0.110 0.000 2.677 41 Y HA 1.010 5.559 4.550 -0.001 0.000 0.334 41 Y C -0.558 175.321 175.900 -0.034 0.000 1.154 41 Y CA -1.262 56.816 58.100 -0.035 0.000 1.070 41 Y CB 1.614 40.064 38.460 -0.017 0.000 1.294 41 Y HN 0.698 nan 8.280 nan 0.000 0.475 42 A N 0.531 123.433 122.820 0.138 0.000 2.483 42 A HA 0.432 4.751 4.320 -0.001 0.000 0.294 42 A C -1.939 175.710 177.584 0.108 0.000 1.077 42 A CA -0.616 51.451 52.037 0.050 0.000 0.633 42 A CB 0.739 19.724 19.000 -0.025 0.000 1.318 42 A HN 0.840 nan 8.150 nan 0.000 0.455 43 D N -0.373 120.075 120.400 0.080 0.000 2.400 43 D HA 0.250 4.889 4.640 -0.001 0.000 0.238 43 D C 1.292 177.621 176.300 0.049 0.000 1.157 43 D CA 0.135 54.190 54.000 0.092 0.000 0.889 43 D CB 0.654 41.521 40.800 0.112 0.000 1.199 43 D HN 0.443 nan 8.370 nan 0.000 0.436 44 R N 1.705 122.210 120.500 0.007 0.000 2.120 44 R HA -0.166 4.173 4.340 -0.001 0.000 0.234 44 R C 0.836 176.939 176.300 -0.329 0.000 1.123 44 R CA 1.178 57.157 56.100 -0.201 0.000 0.975 44 R CB -0.172 29.915 30.300 -0.354 0.000 0.866 44 R HN 0.594 nan 8.270 nan 0.000 0.446 45 Y N -0.072 120.246 120.300 0.031 0.000 2.532 45 Y HA 0.335 4.884 4.550 -0.001 0.000 0.283 45 Y C 0.599 176.506 175.900 0.012 0.000 1.181 45 Y CA -0.679 57.433 58.100 0.020 0.000 1.256 45 Y CB 0.209 38.684 38.460 0.025 0.000 1.112 45 Y HN -0.005 nan 8.280 nan 0.000 0.521 46 A N 0.465 123.342 122.820 0.095 0.000 2.462 46 A HA 0.253 4.573 4.320 -0.001 0.000 0.243 46 A C 0.727 178.334 177.584 0.038 0.000 1.076 46 A CA -0.080 51.992 52.037 0.059 0.000 0.773 46 A CB 0.191 19.207 19.000 0.026 0.000 1.010 46 A HN 0.267 nan 8.150 nan 0.000 0.493 47 S N 2.278 117.998 115.700 0.034 0.000 2.585 47 S HA 0.288 4.757 4.470 -0.001 0.000 0.273 47 S C -1.353 173.248 174.600 0.002 0.000 1.339 47 S CA -0.963 57.249 58.200 0.021 0.000 1.028 47 S CB 0.390 63.601 63.200 0.018 0.000 0.906 47 S HN 0.494 nan 8.310 nan 0.000 0.528 48 P HA -0.104 nan 4.420 nan 0.000 0.215 48 P C 0.448 177.740 177.300 -0.015 0.000 1.153 48 P CA 1.062 64.152 63.100 -0.016 0.000 0.853 48 P CB -0.072 31.617 31.700 -0.018 0.000 0.788 49 E N 0.964 121.160 120.200 -0.008 0.000 2.352 49 E HA -0.037 4.312 4.350 -0.001 0.000 0.197 49 E C -0.069 176.528 176.600 -0.005 0.000 1.224 49 E CA 0.135 56.531 56.400 -0.007 0.000 1.118 49 E CB -0.888 28.809 29.700 -0.004 0.000 1.198 49 E HN 0.500 nan 8.360 nan 0.000 0.454 50 E N 0.920 121.116 120.200 -0.007 0.000 2.272 50 E HA 0.203 4.553 4.350 -0.001 0.000 0.269 50 E C -0.798 175.795 176.600 -0.012 0.000 0.877 50 E CA -1.146 55.250 56.400 -0.007 0.000 0.755 50 E CB 1.149 30.846 29.700 -0.004 0.000 1.192 50 E HN 0.216 nan 8.360 nan 0.000 0.422 51 E N 4.019 124.215 120.200 -0.006 0.000 2.398 51 E HA 0.159 4.508 4.350 -0.001 0.000 0.263 51 E C -0.269 176.317 176.600 -0.023 0.000 1.046 51 E CA -0.470 55.931 56.400 0.001 0.000 0.908 51 E CB 0.797 30.511 29.700 0.023 0.000 0.963 51 E HN 0.419 nan 8.360 nan 0.000 0.431 52 L N 1.197 122.395 121.223 -0.042 0.000 2.468 52 L HA 0.463 4.802 4.340 -0.001 0.000 0.254 52 L C 0.405 177.166 176.870 -0.181 0.000 1.171 52 L CA -0.927 53.827 54.840 -0.144 0.000 0.809 52 L CB 0.781 42.720 42.059 -0.199 0.000 1.155 52 L HN 0.720 nan 8.230 nan 0.000 0.473 53 A N -0.337 122.227 122.820 -0.428 0.000 2.303 53 A HA 0.583 4.903 4.320 -0.001 0.000 0.317 53 A C -1.063 176.216 177.584 -0.510 0.000 1.149 53 A CA -0.396 51.352 52.037 -0.480 0.000 0.822 53 A CB 0.254 18.699 19.000 -0.926 0.000 1.131 53 A HN 0.712 nan 8.150 nan 0.000 0.493 54 H N -0.188 118.753 119.070 -0.215 0.000 2.492 54 H HA 0.722 5.277 4.556 -0.001 0.000 0.345 54 H C -0.124 175.252 175.328 0.080 0.000 1.136 54 H CA 0.217 56.241 56.048 -0.039 0.000 1.202 54 H CB 1.863 31.618 29.762 -0.012 0.000 1.524 54 H HN 0.867 nan 8.280 nan 0.000 0.506 55 A N 3.048 126.017 122.820 0.249 0.000 2.402 55 A HA 0.422 4.741 4.320 -0.001 0.000 0.291 55 A C -1.162 176.508 177.584 0.144 0.000 1.051 55 A CA -0.662 51.502 52.037 0.211 0.000 0.716 55 A CB 0.781 19.928 19.000 0.244 0.000 1.223 55 A HN 0.692 nan 8.150 nan 0.000 0.425 56 L N 2.893 124.186 121.223 0.117 0.000 2.305 56 L HA 0.692 5.031 4.340 -0.001 0.000 0.281 56 L C 0.465 177.398 176.870 0.105 0.000 1.085 56 L CA -0.213 54.691 54.840 0.106 0.000 0.813 56 L CB 1.218 43.333 42.059 0.092 0.000 1.157 56 L HN 0.806 nan 8.230 nan 0.000 0.436 57 A N 4.693 127.589 122.820 0.127 0.000 2.294 57 A HA 0.598 4.917 4.320 -0.001 0.000 0.316 57 A C 0.376 178.108 177.584 0.246 0.000 1.359 57 A CA -0.090 52.048 52.037 0.169 0.000 0.956 57 A CB 0.159 19.282 19.000 0.206 0.000 1.155 57 A HN 0.867 nan 8.150 nan 0.000 0.544 58 G N 1.299 110.216 108.800 0.194 0.000 2.569 58 G HA2 0.358 4.318 3.960 -0.001 0.000 0.249 58 G HA3 0.358 4.318 3.960 -0.001 0.000 0.249 58 G C 0.104 175.136 174.900 0.221 0.000 1.216 58 G CA -0.602 44.620 45.100 0.204 0.000 0.845 58 G HN 0.783 nan 8.290 nan 0.000 0.568 59 K N 0.916 121.399 120.400 0.138 0.000 2.378 59 K HA 0.323 4.642 4.320 -0.001 0.000 0.288 59 K C 1.152 177.711 176.600 -0.069 0.000 1.057 59 K CA 0.022 56.220 56.287 -0.148 0.000 0.971 59 K CB 0.709 33.053 32.500 -0.259 0.000 0.975 59 K HN 0.393 nan 8.250 nan 0.000 0.475 60 A N 3.809 126.592 122.820 -0.062 0.000 2.167 60 A HA 0.211 4.531 4.320 -0.001 0.000 0.214 60 A C 0.838 178.409 177.584 -0.022 0.000 1.151 60 A CA 1.123 53.148 52.037 -0.020 0.000 0.735 60 A CB -0.172 18.821 19.000 -0.012 0.000 0.802 60 A HN 0.972 nan 8.150 nan 0.000 0.467 61 G N -2.113 106.671 108.800 -0.027 0.000 2.339 61 G HA2 0.473 4.433 3.960 -0.001 0.000 0.275 61 G HA3 0.473 4.433 3.960 -0.001 0.000 0.275 61 G C -0.722 174.229 174.900 0.085 0.000 1.323 61 G CA -0.031 45.078 45.100 0.014 0.000 0.927 61 G HN 1.378 nan 8.290 nan 0.000 0.486 62 S N -0.432 115.338 115.700 0.117 0.000 2.567 62 S HA 0.778 5.247 4.470 -0.001 0.000 0.270 62 S C -1.068 173.632 174.600 0.166 0.000 1.152 62 S CA 0.013 58.332 58.200 0.198 0.000 0.835 62 S CB 2.498 65.743 63.200 0.074 0.000 1.115 62 S HN 1.433 nan 8.310 nan 0.000 0.459 63 D N 0.294 120.829 120.400 0.225 0.000 2.720 63 D HA 0.421 5.061 4.640 -0.001 0.000 0.232 63 D C 1.069 177.400 176.300 0.052 0.000 1.173 63 D CA -0.493 53.586 54.000 0.132 0.000 1.082 63 D CB -0.338 40.587 40.800 0.208 0.000 1.235 63 D HN 0.480 nan 8.370 nan 0.000 0.636 64 E N -0.423 119.791 120.200 0.022 0.000 2.086 64 E HA -0.221 4.128 4.350 -0.001 0.000 0.200 64 E C 1.655 178.198 176.600 -0.093 0.000 1.012 64 E CA 2.310 58.690 56.400 -0.034 0.000 0.812 64 E CB 0.100 29.781 29.700 -0.031 0.000 0.743 64 E HN 0.506 nan 8.360 nan 0.000 0.453 65 R N -2.415 117.988 120.500 -0.162 0.000 2.517 65 R HA 0.268 4.607 4.340 -0.001 0.000 0.265 65 R C -0.206 175.734 176.300 -0.601 0.000 0.921 65 R CA -0.191 55.648 56.100 -0.435 0.000 1.054 65 R CB 0.565 30.457 30.300 -0.680 0.000 1.340 65 R HN -0.032 nan 8.270 nan 0.000 0.551 66 F N 0.948 120.865 119.950 -0.055 0.000 2.579 66 F HA 0.439 4.966 4.527 -0.001 0.000 0.324 66 F C -0.096 175.589 175.800 -0.193 0.000 1.058 66 F CA -1.257 56.643 58.000 -0.167 0.000 0.944 66 F CB 1.406 40.201 39.000 -0.342 0.000 1.245 66 F HN -0.277 nan 8.300 nan 0.000 0.477 67 D N -0.147 120.232 120.400 -0.034 0.000 2.228 67 D HA 0.401 5.040 4.640 -0.001 0.000 0.247 67 D C -1.418 174.684 176.300 -0.329 0.000 0.995 67 D CA -0.227 53.693 54.000 -0.134 0.000 0.903 67 D CB 1.319 42.020 40.800 -0.165 0.000 1.205 67 D HN 0.250 nan 8.370 nan 0.000 0.459 68 Y N 0.402 120.535 120.300 -0.278 0.000 2.361 68 Y HA 0.468 5.017 4.550 -0.001 0.000 0.337 68 Y C -0.631 175.051 175.900 -0.363 0.000 0.965 68 Y CA -0.876 57.119 58.100 -0.174 0.000 1.091 68 Y CB 1.056 39.472 38.460 -0.072 0.000 1.182 68 Y HN 0.173 nan 8.280 nan 0.000 0.450 69 F N 1.455 121.505 119.950 0.166 0.000 2.450 69 F HA 0.541 5.067 4.527 -0.001 0.000 0.332 69 F C 0.096 175.958 175.800 0.103 0.000 1.093 69 F CA -0.862 57.204 58.000 0.110 0.000 1.003 69 F CB 1.758 40.800 39.000 0.070 0.000 1.151 69 F HN 0.384 nan 8.300 nan 0.000 0.474 70 E N 1.435 121.775 120.200 0.234 0.000 2.272 70 E HA 0.804 5.153 4.350 -0.001 0.000 0.269 70 E C -1.554 175.101 176.600 0.092 0.000 0.877 70 E CA -0.805 55.672 56.400 0.128 0.000 0.755 70 E CB 2.075 31.813 29.700 0.063 0.000 1.192 70 E HN 0.756 nan 8.360 nan 0.000 0.422 71 A N 3.036 125.872 122.820 0.026 0.000 2.527 71 A HA 0.726 5.046 4.320 -0.001 0.000 0.293 71 A C -1.945 175.554 177.584 -0.142 0.000 1.117 71 A CA -0.685 51.334 52.037 -0.031 0.000 0.723 71 A CB 1.481 20.472 19.000 -0.015 0.000 1.313 71 A HN 0.437 nan 8.150 nan 0.000 0.411 72 L N 1.244 122.373 121.223 -0.156 0.000 2.372 72 L HA 0.666 5.005 4.340 -0.001 0.000 0.273 72 L C -1.779 174.923 176.870 -0.280 0.000 0.989 72 L CA -0.384 54.324 54.840 -0.220 0.000 0.841 72 L CB 1.140 43.110 42.059 -0.148 0.000 1.225 72 L HN 0.514 nan 8.230 nan 0.000 0.414 73 L N 4.610 125.560 121.223 -0.455 0.000 2.289 73 L HA 0.477 4.816 4.340 -0.001 0.000 0.285 73 L C 0.279 176.898 176.870 -0.419 0.000 1.049 73 L CA -0.107 54.309 54.840 -0.705 0.000 0.804 73 L CB 1.125 42.500 42.059 -1.141 0.000 1.195 73 L HN 0.482 nan 8.230 nan 0.000 0.428 74 E N 2.372 122.452 120.200 -0.199 0.000 2.152 74 E HA 0.216 4.565 4.350 -0.001 0.000 0.285 74 E C -0.966 175.642 176.600 0.013 0.000 1.043 74 E CA -0.067 56.307 56.400 -0.043 0.000 0.839 74 E CB 1.080 30.816 29.700 0.061 0.000 1.069 74 E HN 0.514 nan 8.360 nan 0.000 0.399 75 C N 2.846 122.113 119.300 -0.056 0.000 2.621 75 C HA 0.116 4.575 4.460 -0.001 0.000 0.272 75 C C 1.807 176.775 174.990 -0.036 0.000 1.119 75 C CA -0.674 58.328 59.018 -0.027 0.000 1.593 75 C CB -0.982 26.703 27.740 -0.092 0.000 1.749 75 C HN 0.723 nan 8.230 nan 0.000 0.420 76 S N 0.619 116.318 115.700 -0.002 0.000 2.442 76 S HA -0.164 4.305 4.470 -0.001 0.000 0.236 76 S C 1.450 176.038 174.600 -0.021 0.000 1.007 76 S CA 1.848 60.041 58.200 -0.012 0.000 0.965 76 S CB -0.672 62.532 63.200 0.007 0.000 0.773 76 S HN 0.798 nan 8.310 nan 0.000 0.504 77 T N -1.529 113.018 114.554 -0.012 0.000 3.129 77 T HA 0.336 4.685 4.350 -0.001 0.000 0.251 77 T C 0.645 175.289 174.700 -0.092 0.000 1.117 77 T CA 0.280 62.377 62.100 -0.006 0.000 1.034 77 T CB -0.463 68.436 68.868 0.051 0.000 0.968 77 T HN 0.373 nan 8.240 nan 0.000 0.526 78 K N -0.213 120.081 120.400 -0.176 0.000 3.472 78 K HA -0.159 4.160 4.320 -0.001 0.000 0.315 78 K C -0.024 176.329 176.600 -0.411 0.000 1.320 78 K CA 0.970 57.017 56.287 -0.400 0.000 0.962 78 K CB -1.086 30.953 32.500 -0.769 0.000 1.251 78 K HN 0.525 nan 8.250 nan 0.000 0.443 79 R N -0.460 119.960 120.500 -0.134 0.000 2.744 79 R HA 0.743 5.083 4.340 -0.001 0.000 0.279 79 R C -1.393 174.949 176.300 0.069 0.000 0.977 79 R CA -0.858 55.256 56.100 0.023 0.000 0.906 79 R CB 2.816 33.202 30.300 0.143 0.000 1.197 79 R HN -0.041 nan 8.270 nan 0.000 0.463 80 V N 2.269 122.260 119.914 0.129 0.000 2.852 80 V HA 0.465 4.585 4.120 -0.001 0.000 0.300 80 V C -1.764 174.471 176.094 0.234 0.000 1.205 80 V CA -0.707 61.688 62.300 0.158 0.000 0.940 80 V CB 1.997 33.874 31.823 0.091 0.000 1.047 80 V HN 0.829 nan 8.190 nan 0.000 0.429 81 K N 5.934 126.453 120.400 0.198 0.000 2.259 81 K HA 0.856 5.176 4.320 -0.001 0.000 0.252 81 K C -1.500 175.226 176.600 0.211 0.000 0.936 81 K CA -0.660 55.695 56.287 0.114 0.000 0.810 81 K CB 2.170 34.656 32.500 -0.022 0.000 1.143 81 K HN 0.903 nan 8.250 nan 0.000 0.427 82 Y N -1.713 118.585 120.300 -0.003 0.000 2.638 82 Y HA 0.707 5.256 4.550 -0.001 0.000 0.335 82 Y C -1.737 174.091 175.900 -0.119 0.000 1.155 82 Y CA -1.419 56.641 58.100 -0.065 0.000 1.046 82 Y CB 1.476 39.841 38.460 -0.159 0.000 1.303 82 Y HN 0.387 nan 8.280 nan 0.000 0.460 83 V N 2.515 122.396 119.914 -0.055 0.000 2.925 83 V HA 0.626 4.745 4.120 -0.001 0.000 0.311 83 V C -1.699 174.347 176.094 -0.080 0.000 1.104 83 V CA -1.173 61.092 62.300 -0.060 0.000 0.954 83 V CB 1.916 33.766 31.823 0.046 0.000 1.022 83 V HN 0.727 nan 8.190 nan 0.000 0.427 84 F N 5.612 125.664 119.950 0.171 0.000 2.399 84 F HA 0.652 5.179 4.527 -0.001 0.000 0.334 84 F C -0.144 175.698 175.800 0.071 0.000 1.097 84 F CA -0.566 57.509 58.000 0.125 0.000 1.076 84 F CB 1.722 40.817 39.000 0.159 0.000 1.162 84 F HN 0.323 nan 8.300 nan 0.000 0.495 85 L N 4.843 126.165 121.223 0.165 0.000 2.319 85 L HA 0.528 4.867 4.340 -0.001 0.000 0.281 85 L C -1.224 175.605 176.870 -0.068 0.000 1.005 85 L CA -0.547 54.225 54.840 -0.115 0.000 0.828 85 L CB 0.931 42.895 42.059 -0.157 0.000 1.227 85 L HN 0.439 nan 8.230 nan 0.000 0.415 86 L N 4.530 125.696 121.223 -0.095 0.000 2.313 86 L HA 0.621 4.960 4.340 -0.001 0.000 0.283 86 L C -0.242 176.568 176.870 -0.099 0.000 1.013 86 L CA -0.510 54.272 54.840 -0.096 0.000 0.816 86 L CB 1.768 43.794 42.059 -0.055 0.000 1.236 86 L HN 0.517 nan 8.230 nan 0.000 0.419 87 T N 1.350 115.846 114.554 -0.098 0.000 2.779 87 T HA 0.532 4.881 4.350 -0.001 0.000 0.280 87 T C 0.430 175.103 174.700 -0.046 0.000 0.987 87 T CA -0.557 61.505 62.100 -0.062 0.000 0.966 87 T CB 1.859 70.700 68.868 -0.046 0.000 0.933 87 T HN 0.732 nan 8.240 nan 0.000 0.442 88 G N 2.408 111.189 108.800 -0.031 0.000 2.535 88 G HA2 0.463 4.422 3.960 -0.001 0.000 0.303 88 G HA3 0.463 4.422 3.960 -0.001 0.000 0.303 88 G C -1.751 173.146 174.900 -0.004 0.000 1.237 88 G CA -1.701 43.388 45.100 -0.019 0.000 0.986 88 G HN 0.375 nan 8.290 nan 0.000 0.494 89 P HA -0.039 nan 4.420 nan 0.000 0.218 89 P C 1.246 178.549 177.300 0.005 0.000 1.149 89 P CA 0.983 64.089 63.100 0.009 0.000 0.817 89 P CB 0.285 31.990 31.700 0.008 0.000 0.785 90 Q N -1.419 118.380 119.800 -0.001 0.000 2.280 90 Q HA 0.339 4.679 4.340 -0.001 0.000 0.202 90 Q C 1.193 177.193 176.000 0.000 0.000 0.903 90 Q CA 0.601 56.404 55.803 -0.001 0.000 0.948 90 Q CB -0.783 27.953 28.738 -0.004 0.000 1.058 90 Q HN 0.173 nan 8.270 nan 0.000 0.493 91 G N 0.319 109.119 108.800 -0.001 0.000 2.148 91 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.254 91 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.254 91 G C -0.447 174.451 174.900 -0.003 0.000 0.981 91 G CA 0.062 45.162 45.100 -0.000 0.000 0.670 91 G HN 0.420 nan 8.290 nan 0.000 0.528 92 E N 0.291 120.485 120.200 -0.008 0.000 2.376 92 E HA 0.518 4.867 4.350 -0.001 0.000 0.266 92 E C 0.475 177.063 176.600 -0.019 0.000 1.009 92 E CA 0.551 56.945 56.400 -0.010 0.000 0.902 92 E CB 1.002 30.691 29.700 -0.017 0.000 0.972 92 E HN 0.829 nan 8.360 nan 0.000 0.439 93 A N 2.898 125.710 122.820 -0.012 0.000 2.304 93 A HA 0.569 4.889 4.320 -0.001 0.000 0.314 93 A C -0.623 176.947 177.584 -0.024 0.000 1.187 93 A CA -0.750 51.263 52.037 -0.040 0.000 0.810 93 A CB 0.653 19.636 19.000 -0.030 0.000 1.183 93 A HN 0.441 nan 8.150 nan 0.000 0.487 94 V N -0.026 119.852 119.914 -0.060 0.000 2.789 94 V HA 0.703 4.822 4.120 -0.001 0.000 0.311 94 V C -1.202 174.886 176.094 -0.010 0.000 1.073 94 V CA -1.058 61.267 62.300 0.042 0.000 0.921 94 V CB 0.995 32.884 31.823 0.110 0.000 1.009 94 V HN 0.672 nan 8.190 nan 0.000 0.426 95 Y N 3.214 123.640 120.300 0.211 0.000 2.310 95 Y HA 0.649 5.198 4.550 -0.001 0.000 0.326 95 Y C -0.313 175.799 175.900 0.354 0.000 1.151 95 Y CA -0.623 57.617 58.100 0.233 0.000 1.195 95 Y CB 1.761 40.304 38.460 0.138 0.000 1.210 95 Y HN 0.789 nan 8.280 nan 0.000 0.483 96 F N 2.554 122.678 119.950 0.289 0.000 2.507 96 F HA 0.757 5.283 4.527 -0.001 0.000 0.328 96 F C -0.037 175.916 175.800 0.255 0.000 1.136 96 F CA -0.362 57.739 58.000 0.168 0.000 0.930 96 F CB 0.942 40.073 39.000 0.218 0.000 1.166 96 F HN 0.611 nan 8.300 nan 0.000 0.436 97 G N 3.700 112.312 108.800 -0.313 0.000 2.975 97 G HA2 0.139 4.099 3.960 -0.001 0.000 0.291 97 G HA3 0.139 4.099 3.960 -0.001 0.000 0.291 97 G C -0.143 173.953 174.900 -1.341 0.000 1.334 97 G CA -0.446 44.231 45.100 -0.705 0.000 0.843 97 G HN 0.657 nan 8.290 nan 0.000 0.548 98 E N -0.983 118.274 120.200 -1.572 0.000 2.077 98 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 98 E C 2.192 178.447 176.600 -0.575 0.000 0.989 98 E CA 1.929 57.602 56.400 -1.213 0.000 0.800 98 E CB -0.070 29.128 29.700 -0.836 0.000 0.746 98 E HN 0.407 nan 8.360 nan 0.000 0.452 99 T N -0.492 113.810 114.554 -0.419 0.000 2.777 99 T HA 0.124 4.474 4.350 -0.001 0.000 0.266 99 T C 0.664 175.270 174.700 -0.157 0.000 1.040 99 T CA 1.030 62.994 62.100 -0.227 0.000 1.141 99 T CB 0.122 68.891 68.868 -0.165 0.000 0.868 99 T HN 0.487 nan 8.240 nan 0.000 0.444 100 G N -0.442 108.253 108.800 -0.175 0.000 2.398 100 G HA2 0.351 4.310 3.960 -0.001 0.000 0.251 100 G HA3 0.351 4.310 3.960 -0.001 0.000 0.251 100 G C -1.787 173.056 174.900 -0.095 0.000 1.277 100 G CA -1.093 43.938 45.100 -0.114 0.000 0.927 100 G HN 0.158 nan 8.290 nan 0.000 0.477 101 F N 0.887 120.969 119.950 0.220 0.000 2.397 101 F HA 0.837 5.364 4.527 -0.001 0.000 0.331 101 F C 0.833 176.722 175.800 0.149 0.000 1.090 101 F CA 0.053 58.177 58.000 0.208 0.000 1.065 101 F CB 2.208 41.267 39.000 0.099 0.000 1.184 101 F HN 0.609 nan 8.300 nan 0.000 0.499 102 S N 0.242 116.154 115.700 0.353 0.000 2.587 102 S HA 0.640 5.109 4.470 -0.001 0.000 0.269 102 S C 0.013 174.787 174.600 0.290 0.000 1.154 102 S CA -0.022 58.324 58.200 0.242 0.000 0.824 102 S CB 1.182 64.472 63.200 0.150 0.000 1.118 102 S HN 0.779 nan 8.310 nan 0.000 0.462 103 A N 1.316 124.263 122.820 0.212 0.000 2.132 103 A HA 0.372 4.692 4.320 -0.001 0.000 0.213 103 A C 0.428 178.160 177.584 0.247 0.000 1.154 103 A CA 0.438 52.619 52.037 0.240 0.000 0.753 103 A CB -0.201 18.884 19.000 0.141 0.000 0.826 103 A HN 0.735 nan 8.150 nan 0.000 0.469 104 E N -0.451 119.797 120.200 0.081 0.000 2.151 104 E HA 0.296 4.645 4.350 -0.001 0.000 0.275 104 E C 0.510 176.869 176.600 -0.402 0.000 0.936 104 E CA -0.594 55.724 56.400 -0.136 0.000 0.777 104 E CB 1.501 31.150 29.700 -0.086 0.000 1.108 104 E HN 0.393 nan 8.360 nan 0.000 0.401 105 R N 2.340 122.238 120.500 -1.003 0.000 2.133 105 R HA -0.220 4.119 4.340 -0.001 0.000 0.247 105 R C 1.734 177.795 176.300 -0.398 0.000 1.151 105 R CA 2.486 57.932 56.100 -1.089 0.000 0.971 105 R CB -0.100 29.610 30.300 -0.983 0.000 0.866 105 R HN 0.565 nan 8.270 nan 0.000 0.447 106 S N 0.483 116.013 115.700 -0.282 0.000 2.368 106 S HA -0.129 4.340 4.470 -0.001 0.000 0.225 106 S C 1.640 176.166 174.600 -0.123 0.000 1.030 106 S CA 1.338 59.439 58.200 -0.165 0.000 0.999 106 S CB -0.167 62.958 63.200 -0.124 0.000 0.844 106 S HN 0.449 nan 8.310 nan 0.000 0.459 107 K N 1.486 121.826 120.400 -0.100 0.000 2.418 107 K HA 0.326 4.646 4.320 -0.001 0.000 0.195 107 K C 2.134 178.708 176.600 -0.044 0.000 1.035 107 K CA 0.617 56.871 56.287 -0.056 0.000 1.003 107 K CB -0.235 32.253 32.500 -0.020 0.000 0.793 107 K HN 0.473 nan 8.250 nan 0.000 0.494 108 A N 1.545 124.339 122.820 -0.043 0.000 2.119 108 A HA 0.196 4.515 4.320 -0.001 0.000 0.216 108 A C 1.148 178.655 177.584 -0.130 0.000 1.152 108 A CA 1.019 53.047 52.037 -0.015 0.000 0.708 108 A CB -0.478 18.588 19.000 0.110 0.000 0.805 108 A HN 0.389 nan 8.150 nan 0.000 0.460 109 G N -2.244 106.466 108.800 -0.151 0.000 2.632 109 G HA2 0.042 4.001 3.960 -0.001 0.000 0.224 109 G HA3 0.042 4.001 3.960 -0.001 0.000 0.224 109 G C -0.473 174.268 174.900 -0.264 0.000 1.341 109 G CA -0.253 44.718 45.100 -0.216 0.000 0.880 109 G HN 1.180 nan 8.290 nan 0.000 0.566 110 V N -0.091 119.611 119.914 -0.354 0.000 2.891 110 V HA 0.621 4.741 4.120 -0.001 0.000 0.304 110 V C -0.550 175.232 176.094 -0.520 0.000 1.171 110 V CA -0.768 61.307 62.300 -0.375 0.000 0.943 110 V CB 1.849 33.529 31.823 -0.239 0.000 1.037 110 V HN 0.796 nan 8.190 nan 0.000 0.427 111 F N 2.682 122.280 119.950 -0.587 0.000 2.370 111 F HA 0.634 5.160 4.527 -0.001 0.000 0.324 111 F C 0.617 176.037 175.800 -0.633 0.000 1.116 111 F CA -0.038 57.576 58.000 -0.644 0.000 1.123 111 F CB 1.100 39.565 39.000 -0.891 0.000 1.238 111 F HN 0.351 nan 8.300 nan 0.000 0.536 112 Q N 1.077 120.815 119.800 -0.103 0.000 2.315 112 Q HA 0.247 4.586 4.340 -0.001 0.000 0.273 112 Q C -1.905 174.211 176.000 0.193 0.000 1.053 112 Q CA -0.906 54.909 55.803 0.020 0.000 0.817 112 Q CB 2.847 31.560 28.738 -0.042 0.000 1.326 112 Q HN 0.596 nan 8.270 nan 0.000 0.423 113 Y N 1.376 121.780 120.300 0.174 0.000 2.721 113 Y HA 0.386 4.936 4.550 -0.001 0.000 0.328 113 Y C 0.832 176.798 175.900 0.110 0.000 1.003 113 Y CA -0.153 58.042 58.100 0.157 0.000 1.275 113 Y CB 0.475 39.026 38.460 0.152 0.000 1.097 113 Y HN 0.950 nan 8.280 nan 0.000 0.514 114 A N 4.867 127.671 122.820 -0.027 0.000 1.882 114 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 114 A C -0.198 177.506 177.584 0.200 0.000 1.253 114 A CA 2.337 54.408 52.037 0.058 0.000 0.664 114 A CB -0.668 18.346 19.000 0.023 0.000 0.838 114 A HN 0.732 nan 8.150 nan 0.000 0.460 115 Y N -2.778 117.539 120.300 0.029 0.000 2.558 115 Y HA 0.546 5.095 4.550 -0.001 0.000 0.333 115 Y C -1.268 174.681 175.900 0.081 0.000 1.125 115 Y CA -1.185 56.939 58.100 0.040 0.000 1.039 115 Y CB 1.136 39.564 38.460 -0.052 0.000 1.331 115 Y HN 0.169 nan 8.280 nan 0.000 0.456 116 I N 5.740 126.209 120.570 -0.168 0.000 2.307 116 I HA 0.245 4.415 4.170 -0.001 0.000 0.289 116 I C -0.784 175.336 176.117 0.006 0.000 1.021 116 I CA -0.376 60.948 61.300 0.040 0.000 1.224 116 I CB 0.616 38.576 38.000 -0.066 0.000 1.376 116 I HN 0.629 nan 8.210 nan 0.000 0.470 117 H N 4.774 124.030 119.070 0.309 0.000 2.502 117 H HA 0.259 4.814 4.556 -0.001 0.000 0.327 117 H C 1.064 176.497 175.328 0.174 0.000 1.099 117 H CA -0.301 55.918 56.048 0.285 0.000 1.323 117 H CB 1.531 31.428 29.762 0.226 0.000 1.450 117 H HN 0.454 nan 8.280 nan 0.000 0.502 118 R N 1.465 122.120 120.500 0.260 0.000 2.096 118 R HA -0.188 4.152 4.340 -0.001 0.000 0.240 118 R C 1.812 178.206 176.300 0.157 0.000 1.139 118 R CA 2.009 58.208 56.100 0.166 0.000 0.952 118 R CB -0.230 30.151 30.300 0.136 0.000 0.854 118 R HN 0.713 nan 8.270 nan 0.000 0.436 119 S N -0.404 115.395 115.700 0.165 0.000 2.537 119 S HA -0.081 4.389 4.470 -0.001 0.000 0.240 119 S C 0.942 175.607 174.600 0.108 0.000 0.981 119 S CA 1.110 59.377 58.200 0.111 0.000 0.948 119 S CB 0.002 63.247 63.200 0.076 0.000 0.759 119 S HN 0.518 nan 8.310 nan 0.000 0.531 120 E N 0.496 120.791 120.200 0.158 0.000 2.501 120 E HA 0.215 4.564 4.350 -0.001 0.000 0.201 120 E C -0.841 175.859 176.600 0.168 0.000 1.016 120 E CA -0.213 56.276 56.400 0.149 0.000 0.920 120 E CB 0.969 30.786 29.700 0.195 0.000 1.023 120 E HN 0.331 nan 8.360 nan 0.000 0.474 121 V N 2.448 122.460 119.914 0.163 0.000 2.432 121 V HA 0.035 4.155 4.120 -0.001 0.000 0.271 121 V C 0.105 176.335 176.094 0.227 0.000 1.046 121 V CA -0.464 61.948 62.300 0.187 0.000 0.945 121 V CB -0.105 31.802 31.823 0.140 0.000 0.992 121 V HN 0.154 nan 8.190 nan 0.000 0.471 122 F N 4.808 124.807 119.950 0.082 0.000 2.539 122 F HA 0.110 4.636 4.527 -0.001 0.000 0.393 122 F C 0.822 176.641 175.800 0.031 0.000 1.032 122 F CA 0.549 58.579 58.000 0.050 0.000 1.120 122 F CB -0.102 38.920 39.000 0.038 0.000 1.014 122 F HN 0.499 nan 8.300 nan 0.000 0.546 123 T N 4.901 119.707 114.554 0.419 0.000 2.812 123 T HA 0.427 4.776 4.350 -0.001 0.000 0.282 123 T C -0.222 174.596 174.700 0.198 0.000 0.990 123 T CA -0.572 61.662 62.100 0.224 0.000 0.960 123 T CB 1.319 70.263 68.868 0.127 0.000 0.948 123 T HN 0.477 nan 8.240 nan 0.000 0.438 124 T N 4.830 119.440 114.554 0.093 0.000 2.885 124 T HA 0.528 4.877 4.350 -0.001 0.000 0.285 124 T C -2.527 172.135 174.700 -0.063 0.000 1.019 124 T CA -1.511 60.599 62.100 0.018 0.000 1.010 124 T CB 1.506 70.349 68.868 -0.042 0.000 1.022 124 T HN 0.228 nan 8.240 nan 0.000 0.466 125 P HA 0.126 nan 4.420 nan 0.000 0.264 125 P C 0.960 178.104 177.300 -0.261 0.000 1.193 125 P CA -0.034 62.953 63.100 -0.188 0.000 0.763 125 P CB 0.597 32.090 31.700 -0.346 0.000 0.810 126 E N 3.049 123.191 120.200 -0.097 0.000 2.070 126 E HA -0.194 4.155 4.350 -0.001 0.000 0.197 126 E C 1.879 178.449 176.600 -0.050 0.000 1.004 126 E CA 1.597 57.965 56.400 -0.053 0.000 0.805 126 E CB -0.440 29.276 29.700 0.026 0.000 0.744 126 E HN 0.718 nan 8.360 nan 0.000 0.451 127 W N 0.791 122.082 121.300 -0.014 0.000 2.350 127 W HA -0.028 4.631 4.660 -0.001 0.000 0.289 127 W C 1.819 178.332 176.519 -0.010 0.000 1.215 127 W CA 0.995 58.326 57.345 -0.023 0.000 1.236 127 W CB -0.861 28.583 29.460 -0.027 0.000 1.130 127 W HN -0.033 nan 8.180 nan 0.000 0.541 128 A N 1.854 124.180 122.820 -0.823 0.000 1.972 128 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 128 A C 2.144 179.562 177.584 -0.277 0.000 1.169 128 A CA 1.915 53.483 52.037 -0.780 0.000 0.635 128 A CB -0.659 17.809 19.000 -0.886 0.000 0.810 128 A HN 0.380 nan 8.150 nan 0.000 0.446 129 K N 0.014 120.294 120.400 -0.200 0.000 2.097 129 K HA -0.147 4.172 4.320 -0.001 0.000 0.206 129 K C 0.979 177.538 176.600 -0.068 0.000 1.049 129 K CA 1.512 57.726 56.287 -0.122 0.000 0.933 129 K CB -0.102 32.335 32.500 -0.105 0.000 0.717 129 K HN 0.856 nan 8.250 nan 0.000 0.442 130 E N 0.297 120.486 120.200 -0.018 0.000 2.736 130 E HA 0.354 4.703 4.350 -0.001 0.000 0.208 130 E C -0.477 176.177 176.600 0.089 0.000 0.996 130 E CA -0.527 55.890 56.400 0.028 0.000 1.104 130 E CB 0.857 30.574 29.700 0.029 0.000 1.111 130 E HN 0.085 nan 8.360 nan 0.000 0.455 131 A N 0.602 123.474 122.820 0.088 0.000 2.252 131 A HA 0.607 4.926 4.320 -0.001 0.000 0.305 131 A C -0.306 177.317 177.584 0.066 0.000 1.097 131 A CA -0.599 51.528 52.037 0.150 0.000 0.849 131 A CB 1.307 20.468 19.000 0.268 0.000 1.142 131 A HN 0.165 nan 8.150 nan 0.000 0.499 132 V N 1.618 121.576 119.914 0.072 0.000 2.488 132 V HA 0.310 4.430 4.120 -0.001 0.000 0.293 132 V C -0.825 175.258 176.094 -0.019 0.000 1.027 132 V CA -0.017 62.284 62.300 0.002 0.000 0.862 132 V CB 1.109 32.956 31.823 0.039 0.000 1.008 132 V HN 0.704 nan 8.190 nan 0.000 0.428 133 I N 4.638 125.122 120.570 -0.143 0.000 2.428 133 I HA 0.415 4.584 4.170 -0.001 0.000 0.296 133 I C -0.830 175.257 176.117 -0.051 0.000 0.985 133 I CA -0.504 60.684 61.300 -0.186 0.000 1.260 133 I CB 1.293 38.944 38.000 -0.581 0.000 1.389 133 I HN 0.592 nan 8.210 nan 0.000 0.484 134 Y N 5.535 125.757 120.300 -0.131 0.000 2.328 134 Y HA 0.330 4.880 4.550 -0.001 0.000 0.333 134 Y C -0.133 175.720 175.900 -0.078 0.000 0.958 134 Y CA -0.573 57.490 58.100 -0.060 0.000 1.167 134 Y CB 1.063 39.498 38.460 -0.042 0.000 1.151 134 Y HN 0.513 nan 8.280 nan 0.000 0.470 135 Q N 6.463 126.138 119.800 -0.209 0.000 2.288 135 Q HA 0.446 4.785 4.340 -0.001 0.000 0.258 135 Q C -1.321 174.537 176.000 -0.236 0.000 0.957 135 Q CA -0.184 55.576 55.803 -0.072 0.000 0.919 135 Q CB 0.625 29.519 28.738 0.260 0.000 1.185 135 Q HN 0.782 nan 8.270 nan 0.000 0.408 136 I N 4.198 124.566 120.570 -0.337 0.000 2.406 136 I HA 0.246 4.415 4.170 -0.001 0.000 0.290 136 I C -0.922 175.065 176.117 -0.216 0.000 0.999 136 I CA -0.806 60.299 61.300 -0.325 0.000 1.124 136 I CB 1.263 39.010 38.000 -0.420 0.000 1.289 136 I HN 0.622 nan 8.210 nan 0.000 0.441 137 F N 9.172 128.920 119.950 -0.337 0.000 2.334 137 F HA 0.395 4.921 4.527 -0.001 0.000 0.365 137 F C -1.727 173.967 175.800 -0.176 0.000 1.124 137 F CA -2.113 55.739 58.000 -0.247 0.000 1.166 137 F CB 0.926 39.822 39.000 -0.172 0.000 1.355 137 F HN 0.316 nan 8.300 nan 0.000 0.532 138 P HA -0.270 nan 4.420 nan 0.000 0.217 138 P C 1.561 179.023 177.300 0.271 0.000 1.158 138 P CA 1.397 64.427 63.100 -0.118 0.000 0.887 138 P CB 0.265 31.488 31.700 -0.795 0.000 0.792 139 E N -0.768 119.693 120.200 0.434 0.000 2.153 139 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 139 E C 1.266 178.141 176.600 0.459 0.000 0.988 139 E CA 1.274 58.027 56.400 0.589 0.000 0.811 139 E CB -0.088 29.979 29.700 0.611 0.000 0.746 139 E HN 0.048 nan 8.360 nan 0.000 0.466 140 R N -1.567 119.135 120.500 0.337 0.000 2.543 140 R HA 0.210 4.549 4.340 -0.001 0.000 0.323 140 R C 1.154 177.511 176.300 0.096 0.000 1.002 140 R CA -0.190 55.931 56.100 0.035 0.000 1.106 140 R CB -0.350 29.832 30.300 -0.196 0.000 1.280 140 R HN 0.114 nan 8.270 nan 0.000 0.549 141 F N -0.176 119.862 119.950 0.147 0.000 2.243 141 F HA 0.466 4.992 4.527 -0.001 0.000 0.287 141 F C 0.074 176.218 175.800 0.572 0.000 1.067 141 F CA 0.394 58.513 58.000 0.199 0.000 1.304 141 F CB 0.546 39.603 39.000 0.095 0.000 1.087 141 F HN -0.058 nan 8.300 nan 0.000 0.513 142 A N 0.730 123.813 122.820 0.440 0.000 2.512 142 A HA 0.260 4.579 4.320 -0.001 0.000 0.294 142 A C -1.481 176.138 177.584 0.059 0.000 1.054 142 A CA -0.600 51.479 52.037 0.070 0.000 0.756 142 A CB 0.078 19.047 19.000 -0.051 0.000 1.293 142 A HN 0.330 nan 8.150 nan 0.000 0.395 143 N N 2.047 120.644 118.700 -0.173 0.000 2.558 143 N HA 0.399 5.138 4.740 -0.001 0.000 0.233 143 N C 1.155 176.614 175.510 -0.085 0.000 1.038 143 N CA 0.322 53.361 53.050 -0.019 0.000 0.934 143 N CB 0.764 39.272 38.487 0.036 0.000 1.175 143 N HN 0.754 nan 8.380 nan 0.000 0.512 144 G N 1.912 110.697 108.800 -0.026 0.000 2.603 144 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.214 144 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.214 144 G C 0.063 174.948 174.900 -0.026 0.000 1.140 144 G CA 0.229 45.298 45.100 -0.052 0.000 0.800 144 G HN 0.593 nan 8.290 nan 0.000 0.533 145 D N -0.713 119.693 120.400 0.011 0.000 2.473 145 D HA 0.346 4.986 4.640 -0.001 0.000 0.253 145 D C -1.484 174.834 176.300 0.030 0.000 1.233 145 D CA -2.034 51.976 54.000 0.016 0.000 0.908 145 D CB 2.508 43.324 40.800 0.027 0.000 1.170 145 D HN -0.081 nan 8.370 nan 0.000 0.558 146 P HA -0.107 nan 4.420 nan 0.000 0.225 146 P C 1.018 178.332 177.300 0.023 0.000 1.156 146 P CA 0.547 63.665 63.100 0.030 0.000 0.787 146 P CB 0.154 31.866 31.700 0.019 0.000 0.802 147 S N 0.498 116.207 115.700 0.015 0.000 2.547 147 S HA -0.107 4.362 4.470 -0.001 0.000 0.235 147 S C 1.461 176.064 174.600 0.005 0.000 0.980 147 S CA 0.975 59.180 58.200 0.008 0.000 0.941 147 S CB -1.324 61.879 63.200 0.006 0.000 0.763 147 S HN 0.256 nan 8.310 nan 0.000 0.532 148 N N 0.342 119.049 118.700 0.012 0.000 2.322 148 N HA 0.103 4.843 4.740 -0.001 0.000 0.181 148 N C -0.840 174.661 175.510 -0.015 0.000 1.088 148 N CA -0.063 52.987 53.050 -0.000 0.000 0.885 148 N CB -0.615 37.880 38.487 0.012 0.000 1.013 148 N HN 0.081 nan 8.380 nan 0.000 0.472 149 D N 3.357 123.763 120.400 0.009 0.000 2.586 149 D HA 0.019 4.659 4.640 -0.001 0.000 0.234 149 D C -1.863 174.405 176.300 -0.054 0.000 1.132 149 D CA -0.380 53.627 54.000 0.011 0.000 0.860 149 D CB 0.376 41.203 40.800 0.046 0.000 1.159 149 D HN 0.342 nan 8.370 nan 0.000 0.490 150 P HA 0.155 nan 4.420 nan 0.000 0.272 150 P C -2.566 174.599 177.300 -0.225 0.000 1.230 150 P CA -1.212 61.747 63.100 -0.235 0.000 0.788 150 P CB -0.114 31.309 31.700 -0.461 0.000 0.949 151 P HA 0.049 nan 4.420 nan 0.000 0.267 151 P C 0.724 177.919 177.300 -0.175 0.000 1.209 151 P CA 0.829 63.837 63.100 -0.153 0.000 0.763 151 P CB -0.079 31.547 31.700 -0.124 0.000 0.816 152 G N 1.901 110.638 108.800 -0.105 0.000 2.154 152 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.186 152 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.186 152 G C 0.160 175.031 174.900 -0.049 0.000 1.000 152 G CA -0.313 44.742 45.100 -0.074 0.000 0.664 152 G HN 0.595 nan 8.290 nan 0.000 0.513 153 T N 2.124 116.651 114.554 -0.045 0.000 2.829 153 T HA 0.369 4.719 4.350 -0.001 0.000 0.293 153 T C 0.785 175.453 174.700 -0.054 0.000 0.970 153 T CA 0.584 62.671 62.100 -0.021 0.000 1.168 153 T CB 0.992 69.883 68.868 0.037 0.000 0.911 153 T HN 0.504 nan 8.240 nan 0.000 0.535 154 E N 2.579 122.670 120.200 -0.182 0.000 2.385 154 E HA 0.212 4.562 4.350 -0.001 0.000 0.254 154 E C 0.048 176.649 176.600 0.001 0.000 1.228 154 E CA -0.775 55.543 56.400 -0.137 0.000 0.956 154 E CB 0.571 30.120 29.700 -0.252 0.000 1.116 154 E HN 0.500 nan 8.360 nan 0.000 0.507 155 Q N 0.313 120.181 119.800 0.113 0.000 2.299 155 Q HA 0.084 4.423 4.340 -0.001 0.000 0.246 155 Q C -1.103 175.140 176.000 0.405 0.000 0.935 155 Q CA -0.236 55.707 55.803 0.233 0.000 0.887 155 Q CB 0.724 29.563 28.738 0.168 0.000 1.223 155 Q HN 0.430 nan 8.270 nan 0.000 0.439 156 W N 3.358 124.802 121.300 0.239 0.000 2.430 156 W HA 0.538 5.197 4.660 -0.001 0.000 0.380 156 W C -1.145 175.433 176.519 0.098 0.000 1.045 156 W CA -0.352 57.115 57.345 0.202 0.000 1.547 156 W CB -0.222 29.335 29.460 0.163 0.000 1.554 156 W HN 0.624 nan 8.180 nan 0.000 0.378 157 A N 4.851 127.773 122.820 0.170 0.000 2.423 157 A HA 0.373 4.693 4.320 -0.001 0.000 0.304 157 A C 0.956 178.540 177.584 0.000 0.000 1.104 157 A CA -0.597 51.511 52.037 0.119 0.000 0.757 157 A CB 1.951 21.011 19.000 0.100 0.000 1.313 157 A HN 0.393 nan 8.150 nan 0.000 0.423 158 K N 0.531 120.942 120.400 0.017 0.000 2.155 158 K HA -0.105 4.214 4.320 -0.001 0.000 0.203 158 K C 0.548 177.116 176.600 -0.053 0.000 1.052 158 K CA 1.867 58.135 56.287 -0.033 0.000 0.948 158 K CB 0.048 32.542 32.500 -0.009 0.000 0.728 158 K HN 0.866 nan 8.250 nan 0.000 0.448 159 D N -0.302 120.083 120.400 -0.024 0.000 2.336 159 D HA 0.035 4.675 4.640 -0.001 0.000 0.228 159 D C -0.085 176.203 176.300 -0.019 0.000 1.120 159 D CA -0.210 53.777 54.000 -0.022 0.000 0.839 159 D CB -0.022 40.776 40.800 -0.004 0.000 0.932 159 D HN 0.010 nan 8.370 nan 0.000 0.509 160 A N 0.961 123.760 122.820 -0.036 0.000 2.388 160 A HA 0.376 4.695 4.320 -0.001 0.000 0.257 160 A C 0.222 177.789 177.584 -0.028 0.000 1.095 160 A CA -0.534 51.498 52.037 -0.008 0.000 0.791 160 A CB 0.324 19.325 19.000 0.000 0.000 1.029 160 A HN 0.241 nan 8.150 nan 0.000 0.489 161 R N 2.878 123.386 120.500 0.014 0.000 2.363 161 R HA 0.382 4.722 4.340 -0.001 0.000 0.297 161 R C -2.745 173.577 176.300 0.037 0.000 1.208 161 R CA -1.573 54.530 56.100 0.005 0.000 1.121 161 R CB 0.448 30.751 30.300 0.004 0.000 1.124 161 R HN 0.517 nan 8.270 nan 0.000 0.561 162 P HA -0.076 nan 4.420 nan 0.000 0.264 162 P C -0.792 176.543 177.300 0.057 0.000 1.173 162 P CA 0.402 63.548 63.100 0.077 0.000 0.761 162 P CB 0.597 32.309 31.700 0.020 0.000 0.794 163 R N 1.220 121.753 120.500 0.056 0.000 2.828 163 R HA 0.320 4.660 4.340 -0.001 0.000 0.264 163 R C 1.107 177.443 176.300 0.060 0.000 1.022 163 R CA -0.694 55.445 56.100 0.065 0.000 1.021 163 R CB 0.286 30.614 30.300 0.047 0.000 1.163 163 R HN 0.462 nan 8.270 nan 0.000 0.494 164 H N -0.002 119.044 119.070 -0.040 0.000 2.460 164 H HA -0.120 4.436 4.556 -0.001 0.000 0.297 164 H C 0.507 175.738 175.328 -0.161 0.000 1.103 164 H CA 1.727 57.737 56.048 -0.064 0.000 1.292 164 H CB 0.255 29.992 29.762 -0.041 0.000 1.376 164 H HN 0.444 nan 8.280 nan 0.000 0.531 165 D N -0.562 119.812 120.400 -0.045 0.000 2.440 165 D HA 0.101 4.740 4.640 -0.001 0.000 0.216 165 D C -0.042 176.236 176.300 -0.036 0.000 1.150 165 D CA 0.046 53.998 54.000 -0.081 0.000 0.832 165 D CB 0.472 41.285 40.800 0.022 0.000 0.992 165 D HN 0.175 nan 8.370 nan 0.000 0.502 166 S N -0.106 115.516 115.700 -0.130 0.000 2.596 166 S HA 0.391 4.860 4.470 -0.001 0.000 0.260 166 S C -0.192 174.186 174.600 -0.370 0.000 1.336 166 S CA 0.144 58.265 58.200 -0.131 0.000 0.993 166 S CB 0.681 63.828 63.200 -0.088 0.000 0.923 166 S HN 0.067 nan 8.310 nan 0.000 0.567 167 F N -0.526 119.246 119.950 -0.298 0.000 2.628 167 F HA 0.361 4.887 4.527 -0.001 0.000 0.309 167 F C -0.554 174.963 175.800 -0.473 0.000 1.108 167 F CA -0.615 57.278 58.000 -0.179 0.000 0.971 167 F CB 1.383 40.336 39.000 -0.077 0.000 1.279 167 F HN 0.541 nan 8.300 nan 0.000 0.441 168 Y N 0.057 120.509 120.300 0.253 0.000 2.563 168 Y HA 0.365 4.914 4.550 -0.001 0.000 0.250 168 Y C 1.426 177.575 175.900 0.414 0.000 1.126 168 Y CA -0.021 58.235 58.100 0.260 0.000 1.231 168 Y CB 1.263 39.721 38.460 -0.002 0.000 1.288 168 Y HN 0.832 nan 8.280 nan 0.000 0.537 169 G N 0.797 109.864 108.800 0.447 0.000 2.160 169 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.251 169 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.251 169 G C 0.690 175.830 174.900 0.399 0.000 1.008 169 G CA 0.029 45.339 45.100 0.350 0.000 0.724 169 G HN 0.702 nan 8.290 nan 0.000 0.514 170 G N 0.205 109.332 108.800 0.545 0.000 2.340 170 G HA2 0.549 4.508 3.960 -0.001 0.000 0.245 170 G HA3 0.549 4.508 3.960 -0.001 0.000 0.245 170 G C 0.034 175.217 174.900 0.473 0.000 1.294 170 G CA 0.737 46.164 45.100 0.545 0.000 0.896 170 G HN 0.947 nan 8.290 nan 0.000 0.522 171 D N 0.603 121.222 120.400 0.365 0.000 2.664 171 D HA 0.285 4.925 4.640 -0.001 0.000 0.292 171 D C 1.260 177.684 176.300 0.207 0.000 1.214 171 D CA -0.966 53.240 54.000 0.344 0.000 0.932 171 D CB 0.709 41.664 40.800 0.258 0.000 1.420 171 D HN 0.179 nan 8.370 nan 0.000 0.471 172 L N -0.506 120.801 121.223 0.141 0.000 2.017 172 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 172 L C 2.396 179.298 176.870 0.054 0.000 1.073 172 L CA 0.956 55.815 54.840 0.032 0.000 0.745 172 L CB -0.628 41.440 42.059 0.015 0.000 0.894 172 L HN 0.475 nan 8.230 nan 0.000 0.432 173 K N 1.000 121.440 120.400 0.066 0.000 2.173 173 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 173 K C 1.918 178.533 176.600 0.025 0.000 1.046 173 K CA 1.719 58.027 56.287 0.036 0.000 0.929 173 K CB -0.538 31.983 32.500 0.035 0.000 0.720 173 K HN 0.412 nan 8.250 nan 0.000 0.453 174 G N 0.407 109.240 108.800 0.055 0.000 2.402 174 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 174 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 174 G C 1.675 176.631 174.900 0.094 0.000 1.162 174 G CA 0.809 45.930 45.100 0.035 0.000 0.777 174 G HN 0.192 nan 8.290 nan 0.000 0.539 175 V N 1.542 121.583 119.914 0.212 0.000 2.332 175 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 175 V C 2.803 179.006 176.094 0.182 0.000 1.055 175 V CA 1.542 64.043 62.300 0.336 0.000 1.038 175 V CB -0.441 31.553 31.823 0.286 0.000 0.651 175 V HN 0.410 nan 8.190 nan 0.000 0.450 176 I N 0.320 120.935 120.570 0.075 0.000 2.208 176 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 176 I C 2.188 178.301 176.117 -0.005 0.000 1.097 176 I CA 1.693 63.007 61.300 0.022 0.000 1.363 176 I CB -0.638 37.355 38.000 -0.011 0.000 1.051 176 I HN 0.325 nan 8.210 nan 0.000 0.413 177 D N 0.786 121.160 120.400 -0.045 0.000 2.263 177 D HA -0.115 4.524 4.640 -0.001 0.000 0.208 177 D C 1.888 178.086 176.300 -0.171 0.000 0.971 177 D CA 0.878 54.803 54.000 -0.125 0.000 0.867 177 D CB -0.111 40.570 40.800 -0.199 0.000 0.929 177 D HN 0.313 nan 8.370 nan 0.000 0.492 178 R N 0.011 120.445 120.500 -0.111 0.000 2.362 178 R HA 0.239 4.579 4.340 -0.001 0.000 0.227 178 R C 2.114 178.487 176.300 0.122 0.000 0.905 178 R CA -0.215 55.821 56.100 -0.107 0.000 1.067 178 R CB -0.552 29.636 30.300 -0.187 0.000 1.078 178 R HN 0.246 nan 8.270 nan 0.000 0.516 179 L N 1.424 122.707 121.223 0.100 0.000 2.051 179 L HA -0.174 4.166 4.340 -0.001 0.000 0.214 179 L C -0.637 176.291 176.870 0.096 0.000 1.076 179 L CA 1.923 56.826 54.840 0.104 0.000 0.758 179 L CB -1.404 40.684 42.059 0.049 0.000 0.890 179 L HN 0.092 nan 8.230 nan 0.000 0.433 180 P HA -0.245 nan 4.420 nan 0.000 0.216 180 P C 1.339 178.713 177.300 0.123 0.000 1.150 180 P CA 1.391 64.530 63.100 0.066 0.000 0.837 180 P CB -0.088 31.633 31.700 0.035 0.000 0.786 181 Y N 0.376 120.707 120.300 0.051 0.000 2.145 181 Y HA -0.193 4.356 4.550 -0.001 0.000 0.286 181 Y C 2.028 178.028 175.900 0.167 0.000 1.145 181 Y CA 1.540 59.722 58.100 0.137 0.000 1.148 181 Y CB -0.995 37.564 38.460 0.166 0.000 0.981 181 Y HN -0.212 nan 8.280 nan 0.000 0.507 182 L N 0.156 121.522 121.223 0.238 0.000 2.093 182 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 182 L C 2.584 179.429 176.870 -0.042 0.000 1.085 182 L CA 1.841 56.696 54.840 0.025 0.000 0.755 182 L CB -0.597 41.480 42.059 0.029 0.000 0.904 182 L HN 0.326 nan 8.230 nan 0.000 0.435 183 E N 0.388 120.591 120.200 0.005 0.000 2.072 183 E HA -0.281 4.068 4.350 -0.001 0.000 0.191 183 E C 2.081 178.666 176.600 -0.025 0.000 0.985 183 E CA 1.228 57.623 56.400 -0.009 0.000 0.801 183 E CB 0.076 29.780 29.700 0.005 0.000 0.750 183 E HN 0.434 nan 8.360 nan 0.000 0.452 184 E N 0.063 120.251 120.200 -0.019 0.000 2.110 184 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 184 E C 2.179 178.706 176.600 -0.121 0.000 0.988 184 E CA 0.815 57.200 56.400 -0.024 0.000 0.804 184 E CB -0.023 29.711 29.700 0.057 0.000 0.745 184 E HN 0.207 nan 8.360 nan 0.000 0.458 185 L N -0.253 120.855 121.223 -0.191 0.000 2.017 185 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 185 L C 1.518 178.283 176.870 -0.175 0.000 1.073 185 L CA 2.433 57.090 54.840 -0.305 0.000 0.745 185 L CB -0.249 41.645 42.059 -0.275 0.000 0.894 185 L HN 0.339 nan 8.230 nan 0.000 0.432 186 G N -1.353 107.399 108.800 -0.080 0.000 2.145 186 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.145 186 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.145 186 G C 0.145 175.095 174.900 0.084 0.000 1.017 186 G CA 0.026 45.140 45.100 0.024 0.000 0.682 186 G HN 0.774 nan 8.290 nan 0.000 0.504 187 V N -1.366 118.558 119.914 0.017 0.000 2.775 187 V HA 0.776 4.895 4.120 -0.001 0.000 0.299 187 V C 1.069 177.184 176.094 0.035 0.000 1.062 187 V CA 0.936 63.259 62.300 0.038 0.000 1.063 187 V CB 1.319 33.148 31.823 0.011 0.000 0.994 187 V HN 0.348 nan 8.190 nan 0.000 0.483 188 T N 2.016 116.600 114.554 0.051 0.000 3.023 188 T HA 0.672 5.021 4.350 -0.001 0.000 0.253 188 T C 0.440 175.128 174.700 -0.019 0.000 1.038 188 T CA 0.689 62.797 62.100 0.014 0.000 0.962 188 T CB 0.305 69.207 68.868 0.057 0.000 1.018 188 T HN 1.479 nan 8.240 nan 0.000 0.521 189 A N 0.876 123.699 122.820 0.005 0.000 2.605 189 A HA 0.700 5.019 4.320 -0.001 0.000 0.294 189 A C -2.297 175.266 177.584 -0.036 0.000 1.062 189 A CA -0.746 51.281 52.037 -0.018 0.000 0.682 189 A CB 0.983 20.027 19.000 0.074 0.000 1.278 189 A HN 0.124 nan 8.150 nan 0.000 0.410 190 L N 1.401 122.561 121.223 -0.104 0.000 2.341 190 L HA 0.580 4.919 4.340 -0.001 0.000 0.278 190 L C -0.899 175.743 176.870 -0.379 0.000 1.005 190 L CA -0.322 54.356 54.840 -0.270 0.000 0.818 190 L CB 1.547 43.350 42.059 -0.426 0.000 1.259 190 L HN 0.706 nan 8.230 nan 0.000 0.418 191 Y N 4.028 124.021 120.300 -0.513 0.000 2.331 191 Y HA 0.653 5.203 4.550 -0.001 0.000 0.338 191 Y C -1.441 174.124 175.900 -0.558 0.000 0.976 191 Y CA -1.424 56.455 58.100 -0.368 0.000 1.137 191 Y CB 0.742 39.140 38.460 -0.103 0.000 1.172 191 Y HN 0.360 nan 8.280 nan 0.000 0.478 192 F N 3.936 123.594 119.950 -0.487 0.000 2.436 192 F HA 0.424 4.950 4.527 -0.001 0.000 0.340 192 F C 0.885 176.173 175.800 -0.853 0.000 1.113 192 F CA -0.821 56.783 58.000 -0.660 0.000 1.022 192 F CB 1.431 40.172 39.000 -0.432 0.000 1.128 192 F HN 0.578 nan 8.300 nan 0.000 0.466 193 T N 0.331 114.456 114.554 -0.715 0.000 2.667 193 T HA 0.255 4.604 4.350 -0.001 0.000 0.305 193 T C -2.586 171.762 174.700 -0.587 0.000 1.022 193 T CA -1.648 60.071 62.100 -0.635 0.000 0.995 193 T CB 0.034 68.471 68.868 -0.718 0.000 1.026 193 T HN 0.217 nan 8.240 nan 0.000 0.527 194 P HA 0.141 nan 4.420 nan 0.000 0.261 194 P C -0.012 176.929 177.300 -0.599 0.000 1.173 194 P CA 0.298 62.989 63.100 -0.681 0.000 0.760 194 P CB -0.144 31.067 31.700 -0.816 0.000 0.783 195 I N 0.046 120.238 120.570 -0.630 0.000 2.913 195 I HA 0.423 4.592 4.170 -0.001 0.000 0.334 195 I C -0.857 175.319 176.117 0.099 0.000 1.449 195 I CA -0.366 60.713 61.300 -0.368 0.000 0.867 195 I CB -0.153 37.518 38.000 -0.548 0.000 1.918 195 I HN 0.063 nan 8.210 nan 0.000 0.556 196 F N 1.462 121.379 119.950 -0.054 0.000 2.575 196 F HA 0.766 5.292 4.527 -0.001 0.000 0.330 196 F C 1.132 176.960 175.800 0.047 0.000 1.056 196 F CA -1.677 56.325 58.000 0.003 0.000 0.964 196 F CB 1.886 40.882 39.000 -0.008 0.000 1.258 196 F HN 0.154 nan 8.300 nan 0.000 0.484 197 A N 2.130 125.101 122.820 0.252 0.000 2.572 197 A HA 0.247 4.567 4.320 -0.001 0.000 0.256 197 A C 0.023 177.679 177.584 0.120 0.000 1.041 197 A CA 0.732 52.858 52.037 0.148 0.000 0.790 197 A CB -0.370 18.695 19.000 0.108 0.000 0.947 197 A HN 0.558 nan 8.150 nan 0.000 0.518 198 S N 3.435 119.189 115.700 0.090 0.000 2.543 198 S HA 0.661 5.131 4.470 -0.001 0.000 0.271 198 S C -2.240 172.383 174.600 0.038 0.000 1.148 198 S CA -0.659 57.580 58.200 0.064 0.000 0.914 198 S CB 1.785 65.018 63.200 0.054 0.000 1.096 198 S HN 0.488 nan 8.310 nan 0.000 0.471 199 P HA 0.145 nan 4.420 nan 0.000 0.241 199 P C 0.156 177.463 177.300 0.011 0.000 1.191 199 P CA 0.128 63.245 63.100 0.028 0.000 0.771 199 P CB 0.137 31.864 31.700 0.044 0.000 0.929 200 S N -0.073 115.590 115.700 -0.062 0.000 2.745 200 S HA 0.212 4.682 4.470 -0.001 0.000 0.292 200 S C 1.447 175.950 174.600 -0.162 0.000 1.133 200 S CA -0.573 57.490 58.200 -0.228 0.000 0.998 200 S CB 0.350 63.162 63.200 -0.647 0.000 1.087 200 S HN 0.263 nan 8.310 nan 0.000 0.551 201 H N 0.955 119.976 119.070 -0.082 0.000 2.357 201 H HA -0.051 4.504 4.556 -0.001 0.000 0.301 201 H C 0.435 175.815 175.328 0.087 0.000 1.082 201 H CA 1.224 57.306 56.048 0.056 0.000 1.342 201 H CB -0.954 28.799 29.762 -0.015 0.000 1.389 201 H HN 0.756 nan 8.280 nan 0.000 0.511 202 H N 0.285 119.349 119.070 -0.010 0.000 2.517 202 H HA 0.381 4.937 4.556 -0.001 0.000 0.317 202 H C -0.061 175.286 175.328 0.031 0.000 1.080 202 H CA -1.150 54.981 56.048 0.138 0.000 1.301 202 H CB 1.075 31.037 29.762 0.335 0.000 1.425 202 H HN -0.152 nan 8.280 nan 0.000 0.471 203 K N 4.211 124.633 120.400 0.036 0.000 3.192 203 K HA 0.036 4.355 4.320 -0.001 0.000 0.269 203 K C -0.561 175.945 176.600 -0.157 0.000 1.270 203 K CA 0.003 56.267 56.287 -0.038 0.000 1.249 203 K CB -0.683 31.795 32.500 -0.037 0.000 1.528 203 K HN 0.727 nan 8.250 nan 0.000 0.360 204 Y N 0.922 121.326 120.300 0.173 0.000 2.478 204 Y HA -0.023 4.526 4.550 -0.001 0.000 0.261 204 Y C 0.539 176.453 175.900 0.024 0.000 1.127 204 Y CA -0.149 57.980 58.100 0.047 0.000 1.288 204 Y CB 0.489 38.883 38.460 -0.109 0.000 1.084 204 Y HN 0.219 nan 8.280 nan 0.000 0.530 205 D N 0.025 120.525 120.400 0.167 0.000 2.485 205 D HA 0.090 4.730 4.640 -0.001 0.000 0.256 205 D C -0.391 175.946 176.300 0.063 0.000 1.141 205 D CA -0.230 53.819 54.000 0.081 0.000 0.942 205 D CB 0.348 41.195 40.800 0.078 0.000 1.003 205 D HN -0.113 nan 8.370 nan 0.000 0.507 206 T N 0.960 115.521 114.554 0.011 0.000 2.908 206 T HA 0.243 4.592 4.350 -0.001 0.000 0.301 206 T C 1.327 176.043 174.700 0.026 0.000 1.019 206 T CA 0.134 62.169 62.100 -0.109 0.000 1.152 206 T CB 1.434 69.913 68.868 -0.649 0.000 0.966 206 T HN 0.530 nan 8.240 nan 0.000 0.540 207 A N 2.770 125.648 122.820 0.097 0.000 1.973 207 A HA 0.286 4.605 4.320 -0.001 0.000 0.210 207 A C 0.774 178.535 177.584 0.295 0.000 1.200 207 A CA 0.253 52.418 52.037 0.212 0.000 0.707 207 A CB 0.308 19.394 19.000 0.143 0.000 0.862 207 A HN 0.723 nan 8.150 nan 0.000 0.461 208 D N -2.353 118.163 120.400 0.193 0.000 2.613 208 D HA 0.393 5.032 4.640 -0.001 0.000 0.230 208 D C -0.601 175.784 176.300 0.141 0.000 1.365 208 D CA -0.520 53.615 54.000 0.226 0.000 0.976 208 D CB 0.414 41.287 40.800 0.122 0.000 1.415 208 D HN 0.126 nan 8.370 nan 0.000 0.589 209 Y N 2.294 122.801 120.300 0.344 0.000 2.583 209 Y HA 0.123 4.673 4.550 -0.001 0.000 0.293 209 Y C 1.326 177.188 175.900 -0.062 0.000 1.157 209 Y CA 0.274 58.511 58.100 0.228 0.000 1.315 209 Y CB 0.427 39.166 38.460 0.465 0.000 1.021 209 Y HN 0.400 nan 8.280 nan 0.000 0.536 210 L N -0.323 120.884 121.223 -0.027 0.000 2.928 210 L HA 0.497 4.837 4.340 -0.001 0.000 0.246 210 L C 0.105 176.778 176.870 -0.329 0.000 1.239 210 L CA -0.036 54.542 54.840 -0.436 0.000 1.035 210 L CB -0.991 40.704 42.059 -0.606 0.000 1.360 210 L HN 0.040 nan 8.230 nan 0.000 0.529 211 A N 0.211 122.987 122.820 -0.074 0.000 2.513 211 A HA 0.574 4.894 4.320 -0.001 0.000 0.296 211 A C -0.476 177.182 177.584 0.123 0.000 1.052 211 A CA -0.482 51.583 52.037 0.046 0.000 0.714 211 A CB 1.599 20.607 19.000 0.013 0.000 1.279 211 A HN -0.042 nan 8.150 nan 0.000 0.397 212 I N 2.133 122.830 120.570 0.212 0.000 2.634 212 I HA 0.069 4.239 4.170 -0.001 0.000 0.284 212 I C 0.606 176.852 176.117 0.215 0.000 1.124 212 I CA 0.121 61.555 61.300 0.223 0.000 1.417 212 I CB 0.728 38.836 38.000 0.180 0.000 1.396 212 I HN 0.720 nan 8.210 nan 0.000 0.571 213 D N 9.059 129.630 120.400 0.284 0.000 2.450 213 D HA 0.013 4.652 4.640 -0.001 0.000 0.247 213 D C -1.376 174.986 176.300 0.103 0.000 1.162 213 D CA -1.231 52.878 54.000 0.182 0.000 0.879 213 D CB 1.512 42.427 40.800 0.191 0.000 1.163 213 D HN 0.295 nan 8.370 nan 0.000 0.472 214 P HA -0.216 nan 4.420 nan 0.000 0.218 214 P C 1.270 178.541 177.300 -0.048 0.000 1.146 214 P CA 1.027 64.136 63.100 0.015 0.000 0.813 214 P CB 0.233 31.935 31.700 0.003 0.000 0.778 215 Q N -1.087 118.596 119.800 -0.195 0.000 2.226 215 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 215 Q C 1.283 177.083 176.000 -0.334 0.000 0.975 215 Q CA 1.299 56.898 55.803 -0.340 0.000 0.866 215 Q CB -0.241 28.153 28.738 -0.574 0.000 0.915 215 Q HN 0.222 nan 8.270 nan 0.000 0.440 216 F N -1.592 118.397 119.950 0.066 0.000 2.622 216 F HA 0.393 4.919 4.527 -0.001 0.000 0.288 216 F C 1.234 177.064 175.800 0.050 0.000 1.120 216 F CA 0.605 58.636 58.000 0.051 0.000 1.423 216 F CB 0.758 39.762 39.000 0.007 0.000 1.127 216 F HN 0.138 nan 8.300 nan 0.000 0.588 217 G N -0.399 108.531 108.800 0.217 0.000 2.368 217 G HA2 0.280 4.240 3.960 -0.001 0.000 0.269 217 G HA3 0.280 4.240 3.960 -0.001 0.000 0.269 217 G C -2.105 172.886 174.900 0.152 0.000 1.291 217 G CA -0.349 44.848 45.100 0.163 0.000 0.903 217 G HN 0.039 nan 8.290 nan 0.000 0.483 218 D N -1.066 119.429 120.400 0.157 0.000 2.636 218 D HA 0.502 5.141 4.640 -0.001 0.000 0.275 218 D C 1.172 177.598 176.300 0.210 0.000 1.130 218 D CA -0.756 53.338 54.000 0.156 0.000 1.031 218 D CB 1.833 42.700 40.800 0.112 0.000 1.451 218 D HN 0.435 nan 8.370 nan 0.000 0.505 219 L N 0.578 121.924 121.223 0.204 0.000 1.989 219 L HA -0.037 4.302 4.340 -0.001 0.000 0.211 219 L C -0.991 176.029 176.870 0.249 0.000 1.071 219 L CA 2.139 57.135 54.840 0.260 0.000 0.749 219 L CB -1.747 40.437 42.059 0.208 0.000 0.890 219 L HN 0.354 nan 8.230 nan 0.000 0.431 220 P HA -0.142 nan 4.420 nan 0.000 0.216 220 P C 1.595 178.965 177.300 0.116 0.000 1.150 220 P CA 1.848 65.018 63.100 0.117 0.000 0.843 220 P CB -0.128 31.620 31.700 0.081 0.000 0.787 221 T N -1.285 113.350 114.554 0.135 0.000 2.777 221 T HA -0.130 4.219 4.350 -0.001 0.000 0.266 221 T C 1.421 176.197 174.700 0.127 0.000 1.040 221 T CA 0.905 63.072 62.100 0.110 0.000 1.141 221 T CB -0.942 67.996 68.868 0.116 0.000 0.868 221 T HN 0.027 nan 8.240 nan 0.000 0.444 222 F N 2.352 122.331 119.950 0.050 0.000 2.102 222 F HA -0.070 4.456 4.527 -0.001 0.000 0.298 222 F C 2.555 178.367 175.800 0.020 0.000 1.105 222 F CA 1.264 59.286 58.000 0.037 0.000 1.239 222 F CB -0.173 38.905 39.000 0.130 0.000 0.991 222 F HN -0.135 nan 8.300 nan 0.000 0.474 223 R N 0.734 121.293 120.500 0.099 0.000 2.091 223 R HA -0.159 4.181 4.340 -0.001 0.000 0.238 223 R C 2.428 178.648 176.300 -0.133 0.000 1.136 223 R CA 1.526 57.601 56.100 -0.041 0.000 0.959 223 R CB -0.474 29.862 30.300 0.061 0.000 0.856 223 R HN 0.344 nan 8.270 nan 0.000 0.437 224 R N 0.255 120.709 120.500 -0.076 0.000 2.091 224 R HA -0.170 4.170 4.340 -0.001 0.000 0.238 224 R C 2.295 178.511 176.300 -0.140 0.000 1.136 224 R CA 1.221 57.272 56.100 -0.081 0.000 0.959 224 R CB -0.544 29.733 30.300 -0.038 0.000 0.856 224 R HN 0.137 nan 8.270 nan 0.000 0.437 225 L N 0.923 122.028 121.223 -0.197 0.000 2.017 225 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 225 L C 2.147 178.822 176.870 -0.325 0.000 1.073 225 L CA 1.612 56.312 54.840 -0.233 0.000 0.745 225 L CB -0.566 41.316 42.059 -0.294 0.000 0.894 225 L HN -0.123 nan 8.230 nan 0.000 0.432 226 V N 0.121 119.738 119.914 -0.495 0.000 2.255 226 V HA -0.322 3.797 4.120 -0.001 0.000 0.247 226 V C 2.383 178.186 176.094 -0.485 0.000 1.051 226 V CA 2.118 64.064 62.300 -0.590 0.000 1.018 226 V CB -0.943 30.537 31.823 -0.572 0.000 0.641 226 V HN 0.453 nan 8.190 nan 0.000 0.445 227 D N -0.505 119.740 120.400 -0.259 0.000 2.117 227 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 227 D C 2.329 178.574 176.300 -0.092 0.000 0.987 227 D CA 1.002 54.931 54.000 -0.120 0.000 0.829 227 D CB -0.211 40.549 40.800 -0.065 0.000 0.961 227 D HN 0.395 nan 8.370 nan 0.000 0.460 228 E N 0.539 120.674 120.200 -0.109 0.000 2.110 228 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 228 E C 2.022 178.583 176.600 -0.064 0.000 0.988 228 E CA 0.766 57.124 56.400 -0.070 0.000 0.804 228 E CB -0.163 29.499 29.700 -0.064 0.000 0.745 228 E HN 0.212 nan 8.360 nan 0.000 0.458 229 A N 0.411 123.163 122.820 -0.114 0.000 1.897 229 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 229 A C 1.902 179.475 177.584 -0.018 0.000 1.181 229 A CA 1.385 53.372 52.037 -0.083 0.000 0.620 229 A CB -0.806 18.116 19.000 -0.130 0.000 0.821 229 A HN 0.331 nan 8.150 nan 0.000 0.443 230 H N -0.148 118.863 119.070 -0.099 0.000 2.290 230 H HA -0.162 4.393 4.556 -0.001 0.000 0.298 230 H C 2.395 177.666 175.328 -0.095 0.000 1.087 230 H CA 1.468 57.449 56.048 -0.112 0.000 1.291 230 H CB -0.038 29.657 29.762 -0.111 0.000 1.369 230 H HN 0.617 nan 8.280 nan 0.000 0.492 231 R N 1.262 121.800 120.500 0.063 0.000 2.193 231 R HA -0.068 4.271 4.340 -0.001 0.000 0.229 231 R C 1.558 177.852 176.300 -0.010 0.000 1.110 231 R CA 1.240 57.345 56.100 0.008 0.000 0.988 231 R CB -0.135 30.164 30.300 -0.001 0.000 0.871 231 R HN 0.245 nan 8.270 nan 0.000 0.458 232 R N 0.252 120.747 120.500 -0.009 0.000 2.317 232 R HA 0.111 4.451 4.340 -0.001 0.000 0.208 232 R C 0.383 176.664 176.300 -0.031 0.000 0.914 232 R CA 0.489 56.578 56.100 -0.018 0.000 1.060 232 R CB 0.660 30.952 30.300 -0.013 0.000 1.015 232 R HN 0.567 nan 8.270 nan 0.000 0.498 233 G N 1.631 110.409 108.800 -0.037 0.000 2.160 233 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.244 233 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.244 233 G C -0.014 174.839 174.900 -0.078 0.000 1.022 233 G CA -0.145 44.913 45.100 -0.071 0.000 0.741 233 G HN 0.243 nan 8.290 nan 0.000 0.508 234 I N -0.223 120.320 120.570 -0.046 0.000 2.433 234 I HA 0.430 4.600 4.170 -0.001 0.000 0.292 234 I C 0.428 176.520 176.117 -0.041 0.000 1.001 234 I CA -0.917 60.349 61.300 -0.056 0.000 1.119 234 I CB 1.824 39.802 38.000 -0.036 0.000 1.289 234 I HN -0.038 nan 8.210 nan 0.000 0.438 235 K N 5.392 125.713 120.400 -0.131 0.000 2.109 235 K HA 0.682 5.001 4.320 -0.001 0.000 0.243 235 K C -0.869 175.685 176.600 -0.077 0.000 1.006 235 K CA -0.486 55.713 56.287 -0.146 0.000 0.917 235 K CB 1.571 33.756 32.500 -0.524 0.000 1.081 235 K HN 0.431 nan 8.250 nan 0.000 0.468 236 I N 2.720 123.273 120.570 -0.029 0.000 2.418 236 I HA 0.291 4.460 4.170 -0.001 0.000 0.287 236 I C -0.924 175.236 176.117 0.072 0.000 1.008 236 I CA -0.740 60.570 61.300 0.018 0.000 1.104 236 I CB 1.345 39.362 38.000 0.028 0.000 1.264 236 I HN 0.280 nan 8.210 nan 0.000 0.438 237 I N 6.928 127.563 120.570 0.109 0.000 2.362 237 I HA 0.386 4.555 4.170 -0.001 0.000 0.289 237 I C -0.375 175.869 176.117 0.211 0.000 0.994 237 I CA -0.730 60.685 61.300 0.191 0.000 1.158 237 I CB 1.355 39.575 38.000 0.368 0.000 1.315 237 I HN 0.299 nan 8.210 nan 0.000 0.451 238 L N 5.316 126.597 121.223 0.096 0.000 2.322 238 L HA 0.397 4.736 4.340 -0.001 0.000 0.279 238 L C 0.227 177.169 176.870 0.119 0.000 1.036 238 L CA -0.109 54.758 54.840 0.044 0.000 0.807 238 L CB 0.905 42.873 42.059 -0.150 0.000 1.226 238 L HN 0.421 nan 8.230 nan 0.000 0.433 239 D N 2.471 122.890 120.400 0.032 0.000 2.347 239 D HA 0.506 5.145 4.640 -0.001 0.000 0.235 239 D C -0.846 175.381 176.300 -0.122 0.000 1.149 239 D CA -0.097 53.935 54.000 0.053 0.000 0.850 239 D CB 1.259 42.080 40.800 0.034 0.000 1.061 239 D HN 0.578 nan 8.370 nan 0.000 0.487 240 A N 3.518 126.294 122.820 -0.073 0.000 2.318 240 A HA 0.528 4.847 4.320 -0.001 0.000 0.324 240 A C -0.548 176.877 177.584 -0.266 0.000 1.170 240 A CA -0.738 51.186 52.037 -0.188 0.000 0.810 240 A CB 1.263 20.086 19.000 -0.295 0.000 1.198 240 A HN 0.358 nan 8.150 nan 0.000 0.484 241 V N 2.417 122.310 119.914 -0.036 0.000 2.288 241 V HA 0.265 4.385 4.120 -0.001 0.000 0.266 241 V C -0.167 176.081 176.094 0.257 0.000 1.048 241 V CA -0.136 62.205 62.300 0.070 0.000 0.842 241 V CB -0.561 31.383 31.823 0.203 0.000 1.064 241 V HN 0.789 nan 8.190 nan 0.000 0.472 242 F N 2.323 122.309 119.950 0.060 0.000 2.765 242 F HA 0.166 4.692 4.527 -0.001 0.000 0.302 242 F C 1.914 177.610 175.800 -0.173 0.000 1.111 242 F CA -0.225 57.748 58.000 -0.044 0.000 1.359 242 F CB -0.728 38.279 39.000 0.011 0.000 1.097 242 F HN 0.530 nan 8.300 nan 0.000 0.577 243 N N 0.273 118.944 118.700 -0.049 0.000 2.250 243 N HA -0.120 4.620 4.740 -0.001 0.000 0.181 243 N C -0.046 175.385 175.510 -0.133 0.000 1.017 243 N CA 1.113 54.052 53.050 -0.185 0.000 0.866 243 N CB -0.003 38.308 38.487 -0.293 0.000 0.985 243 N HN 0.318 nan 8.380 nan 0.000 0.429 244 H N -2.634 116.481 119.070 0.075 0.000 3.012 244 H HA 0.812 5.367 4.556 -0.001 0.000 0.367 244 H C -1.081 174.296 175.328 0.082 0.000 1.211 244 H CA -1.162 54.923 56.048 0.061 0.000 1.139 244 H CB 0.984 30.806 29.762 0.099 0.000 1.838 244 H HN 0.060 nan 8.280 nan 0.000 0.550 245 A N 0.982 123.924 122.820 0.203 0.000 2.352 245 A HA 0.854 5.174 4.320 -0.001 0.000 0.299 245 A C 0.497 178.121 177.584 0.065 0.000 1.160 245 A CA -0.541 51.553 52.037 0.095 0.000 0.933 245 A CB 0.432 19.267 19.000 -0.276 0.000 1.387 245 A HN 1.075 nan 8.150 nan 0.000 0.487 246 G N -0.899 107.953 108.800 0.087 0.000 2.451 246 G HA2 0.415 4.374 3.960 -0.001 0.000 0.303 246 G HA3 0.415 4.374 3.960 -0.001 0.000 0.303 246 G C 0.142 175.103 174.900 0.101 0.000 1.166 246 G CA 0.397 45.550 45.100 0.089 0.000 0.884 246 G HN 0.730 nan 8.290 nan 0.000 0.514 247 D N -0.002 120.439 120.400 0.069 0.000 2.351 247 D HA -0.134 4.505 4.640 -0.001 0.000 0.216 247 D C 1.498 177.998 176.300 0.334 0.000 0.968 247 D CA 0.847 54.934 54.000 0.145 0.000 0.899 247 D CB 0.193 41.118 40.800 0.209 0.000 0.907 247 D HN 0.314 nan 8.370 nan 0.000 0.514 248 Q N -0.767 119.183 119.800 0.249 0.000 2.408 248 Q HA 0.089 4.428 4.340 -0.001 0.000 0.205 248 Q C 0.054 176.223 176.000 0.280 0.000 0.919 248 Q CA -0.415 55.525 55.803 0.227 0.000 0.932 248 Q CB -0.227 28.610 28.738 0.164 0.000 1.058 248 Q HN 0.322 nan 8.270 nan 0.000 0.517 249 F N 2.705 122.765 119.950 0.183 0.000 2.604 249 F HA -0.189 4.338 4.527 -0.001 0.000 0.393 249 F C 1.353 177.205 175.800 0.087 0.000 1.043 249 F CA -0.649 57.473 58.000 0.204 0.000 1.227 249 F CB 0.178 39.334 39.000 0.259 0.000 1.016 249 F HN 0.098 nan 8.300 nan 0.000 0.556 250 F N 4.666 124.321 119.950 -0.491 0.000 2.085 250 F HA -0.281 4.245 4.527 -0.001 0.000 0.299 250 F C 1.807 177.261 175.800 -0.577 0.000 1.096 250 F CA 1.785 59.493 58.000 -0.486 0.000 1.227 250 F CB -1.332 37.361 39.000 -0.512 0.000 0.983 250 F HN 0.398 nan 8.300 nan 0.000 0.482 251 A N -0.057 121.353 122.820 -2.350 0.000 1.930 251 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 251 A C 2.133 179.327 177.584 -0.649 0.000 1.175 251 A CA 1.386 52.298 52.037 -1.876 0.000 0.627 251 A CB -1.538 16.278 19.000 -1.975 0.000 0.815 251 A HN 0.575 nan 8.150 nan 0.000 0.443 252 F N 0.937 120.666 119.950 -0.368 0.000 2.325 252 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 252 F C 2.294 177.892 175.800 -0.337 0.000 1.090 252 F CA 1.045 58.805 58.000 -0.400 0.000 1.392 252 F CB -0.034 38.837 39.000 -0.216 0.000 1.053 252 F HN 0.092 nan 8.300 nan 0.000 0.521 253 R N 0.150 120.495 120.500 -0.258 0.000 2.091 253 R HA -0.206 4.133 4.340 -0.001 0.000 0.238 253 R C 1.820 177.930 176.300 -0.316 0.000 1.136 253 R CA 1.741 57.686 56.100 -0.259 0.000 0.959 253 R CB -1.366 28.849 30.300 -0.141 0.000 0.856 253 R HN 0.313 nan 8.270 nan 0.000 0.437 254 D N 0.390 120.610 120.400 -0.299 0.000 2.144 254 D HA -0.102 4.538 4.640 -0.001 0.000 0.199 254 D C 1.854 177.998 176.300 -0.260 0.000 0.984 254 D CA 0.748 54.620 54.000 -0.212 0.000 0.834 254 D CB 0.224 40.971 40.800 -0.088 0.000 0.955 254 D HN -0.057 nan 8.370 nan 0.000 0.465 255 V N 0.328 120.011 119.914 -0.384 0.000 2.407 255 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 255 V C 2.403 178.251 176.094 -0.410 0.000 1.055 255 V CA 1.113 63.175 62.300 -0.396 0.000 1.049 255 V CB -0.351 31.134 31.823 -0.563 0.000 0.662 255 V HN 0.338 nan 8.190 nan 0.000 0.455 256 L N -0.687 120.213 121.223 -0.539 0.000 2.240 256 L HA -0.056 4.283 4.340 -0.001 0.000 0.211 256 L C 2.366 179.096 176.870 -0.234 0.000 1.106 256 L CA 0.945 55.557 54.840 -0.379 0.000 0.793 256 L CB -0.380 41.431 42.059 -0.413 0.000 0.927 256 L HN 0.333 nan 8.230 nan 0.000 0.446 257 Q N -0.209 119.456 119.800 -0.226 0.000 2.356 257 Q HA 0.043 4.383 4.340 -0.001 0.000 0.205 257 Q C 1.079 176.986 176.000 -0.154 0.000 0.901 257 Q CA 0.549 56.256 55.803 -0.160 0.000 0.938 257 Q CB 0.820 29.477 28.738 -0.135 0.000 1.081 257 Q HN 0.473 nan 8.270 nan 0.000 0.517 258 K N -0.987 119.300 120.400 -0.188 0.000 2.554 258 K HA 0.187 4.507 4.320 -0.001 0.000 0.211 258 K C 0.832 177.269 176.600 -0.273 0.000 1.226 258 K CA 0.404 56.575 56.287 -0.192 0.000 1.025 258 K CB 1.652 34.053 32.500 -0.165 0.000 1.021 258 K HN 0.154 nan 8.250 nan 0.000 0.600 259 G N 3.084 111.684 108.800 -0.334 0.000 2.629 259 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.335 259 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.335 259 G C 0.757 175.161 174.900 -0.826 0.000 1.347 259 G CA 1.101 45.816 45.100 -0.641 0.000 0.979 259 G HN 0.434 nan 8.290 nan 0.000 0.534 260 E N -0.363 119.179 120.200 -1.096 0.000 2.208 260 E HA -0.234 4.115 4.350 -0.001 0.000 0.202 260 E C 2.346 178.752 176.600 -0.324 0.000 1.014 260 E CA 1.815 57.810 56.400 -0.675 0.000 0.819 260 E CB -0.163 29.289 29.700 -0.413 0.000 0.735 260 E HN 0.517 nan 8.360 nan 0.000 0.469 261 Q N 0.491 120.123 119.800 -0.279 0.000 2.444 261 Q HA 0.121 4.460 4.340 -0.001 0.000 0.206 261 Q C 0.231 176.122 176.000 -0.181 0.000 0.948 261 Q CA 0.109 55.800 55.803 -0.186 0.000 0.946 261 Q CB 0.681 29.326 28.738 -0.154 0.000 1.027 261 Q HN 0.009 nan 8.270 nan 0.000 0.513 262 S N 0.267 115.842 115.700 -0.207 0.000 2.549 262 S HA 0.114 4.583 4.470 -0.001 0.000 0.279 262 S C 0.992 175.461 174.600 -0.219 0.000 1.321 262 S CA -0.481 57.608 58.200 -0.185 0.000 1.054 262 S CB 0.624 63.729 63.200 -0.157 0.000 0.899 262 S HN 0.137 nan 8.310 nan 0.000 0.497 263 R N 3.039 123.314 120.500 -0.374 0.000 2.280 263 R HA 0.023 4.362 4.340 -0.001 0.000 0.207 263 R C -0.057 175.823 176.300 -0.700 0.000 1.043 263 R CA 1.044 56.807 56.100 -0.562 0.000 1.006 263 R CB -0.375 29.462 30.300 -0.772 0.000 0.885 263 R HN 0.810 nan 8.270 nan 0.000 0.467 264 Y N -0.145 119.956 120.300 -0.332 0.000 2.681 264 Y HA 0.145 4.694 4.550 -0.001 0.000 0.267 264 Y C 1.545 177.410 175.900 -0.058 0.000 1.166 264 Y CA -0.432 57.347 58.100 -0.535 0.000 1.209 264 Y CB 0.280 38.206 38.460 -0.890 0.000 1.161 264 Y HN -0.017 nan 8.280 nan 0.000 0.534 265 K N -0.731 119.752 120.400 0.139 0.000 2.211 265 K HA -0.114 4.205 4.320 -0.001 0.000 0.203 265 K C 0.343 177.140 176.600 0.329 0.000 1.050 265 K CA 1.939 58.386 56.287 0.267 0.000 0.945 265 K CB -0.109 32.547 32.500 0.260 0.000 0.732 265 K HN 0.123 nan 8.250 nan 0.000 0.451 266 D N -0.109 120.470 120.400 0.299 0.000 2.363 266 D HA -0.038 4.601 4.640 -0.001 0.000 0.220 266 D C 0.470 176.925 176.300 0.258 0.000 0.994 266 D CA 0.470 54.609 54.000 0.231 0.000 0.890 266 D CB 0.001 40.904 40.800 0.171 0.000 0.906 266 D HN 0.335 nan 8.370 nan 0.000 0.530 267 W N -0.195 121.152 121.300 0.078 0.000 3.047 267 W HA 0.220 4.879 4.660 -0.001 0.000 0.250 267 W C -0.039 176.227 176.519 -0.421 0.000 1.314 267 W CA -0.097 57.179 57.345 -0.116 0.000 1.540 267 W CB -0.259 29.203 29.460 0.004 0.000 1.127 267 W HN -0.172 nan 8.180 nan 0.000 0.679 268 F N -2.140 117.869 119.950 0.099 0.000 2.764 268 F HA 0.443 4.969 4.527 -0.001 0.000 0.347 268 F C -0.652 175.049 175.800 -0.165 0.000 1.151 268 F CA -1.972 56.048 58.000 0.034 0.000 1.021 268 F CB 0.250 39.368 39.000 0.196 0.000 1.438 268 F HN -0.534 nan 8.300 nan 0.000 0.516 269 F N 2.935 123.093 119.950 0.347 0.000 2.334 269 F HA 0.387 4.913 4.527 -0.001 0.000 0.343 269 F C -0.380 175.541 175.800 0.202 0.000 1.136 269 F CA -0.522 57.604 58.000 0.210 0.000 1.237 269 F CB 0.043 39.137 39.000 0.156 0.000 1.525 269 F HN -0.062 nan 8.300 nan 0.000 0.528 270 I N 1.663 122.369 120.570 0.226 0.000 2.416 270 I HA 0.118 4.287 4.170 -0.001 0.000 0.288 270 I C 1.184 177.266 176.117 -0.058 0.000 1.051 270 I CA -0.054 61.266 61.300 0.033 0.000 1.375 270 I CB 0.943 38.750 38.000 -0.322 0.000 1.407 270 I HN 0.466 nan 8.210 nan 0.000 0.516 271 E N 4.337 124.518 120.200 -0.031 0.000 1.987 271 E HA -0.124 4.225 4.350 -0.001 0.000 0.200 271 E C -0.070 176.442 176.600 -0.148 0.000 0.990 271 E CA 1.571 57.947 56.400 -0.040 0.000 0.859 271 E CB 0.278 29.969 29.700 -0.015 0.000 0.805 271 E HN 0.770 nan 8.360 nan 0.000 0.499 272 D N -0.996 119.293 120.400 -0.185 0.000 2.896 272 D HA 0.143 4.782 4.640 -0.001 0.000 0.241 272 D C -0.608 175.557 176.300 -0.226 0.000 1.188 272 D CA -0.511 53.371 54.000 -0.196 0.000 0.879 272 D CB 0.510 41.291 40.800 -0.031 0.000 1.553 272 D HN 0.021 nan 8.370 nan 0.000 0.515 273 F N 0.193 120.175 119.950 0.053 0.000 2.050 273 F HA 0.318 4.845 4.527 -0.001 0.000 0.251 273 F C -1.480 174.340 175.800 0.033 0.000 1.053 273 F CA -1.588 56.436 58.000 0.040 0.000 1.191 273 F CB -1.073 37.930 39.000 0.005 0.000 1.806 273 F HN 0.093 nan 8.300 nan 0.000 0.529 274 P HA 0.128 nan 4.420 nan 0.000 0.270 274 P C -1.039 176.389 177.300 0.214 0.000 1.242 274 P CA -0.212 63.029 63.100 0.235 0.000 0.768 274 P CB 0.188 31.951 31.700 0.103 0.000 0.820 275 V N 2.020 122.105 119.914 0.284 0.000 2.584 275 V HA 0.030 4.150 4.120 -0.001 0.000 0.303 275 V C 0.632 176.811 176.094 0.143 0.000 1.035 275 V CA 0.176 62.594 62.300 0.197 0.000 1.172 275 V CB -0.528 31.378 31.823 0.139 0.000 0.896 275 V HN 0.402 nan 8.190 nan 0.000 0.486 276 S N 3.204 119.023 115.700 0.199 0.000 2.713 276 S HA 0.562 5.031 4.470 -0.001 0.000 0.277 276 S C 0.743 175.512 174.600 0.281 0.000 1.168 276 S CA -0.597 57.707 58.200 0.173 0.000 0.994 276 S CB 1.670 64.947 63.200 0.128 0.000 1.054 276 S HN 0.955 nan 8.310 nan 0.000 0.555 277 K N -0.463 120.067 120.400 0.218 0.000 2.600 277 K HA 0.028 4.348 4.320 -0.001 0.000 0.210 277 K C 1.576 178.285 176.600 0.181 0.000 1.650 277 K CA 0.641 57.094 56.287 0.277 0.000 1.024 277 K CB -0.368 32.270 32.500 0.230 0.000 1.370 277 K HN 0.791 nan 8.250 nan 0.000 0.619 278 T N -0.628 113.998 114.554 0.120 0.000 2.502 278 T HA -0.163 4.187 4.350 -0.001 0.000 0.258 278 T C 1.564 176.308 174.700 0.075 0.000 1.146 278 T CA 2.265 64.416 62.100 0.085 0.000 1.208 278 T CB -0.423 68.482 68.868 0.061 0.000 0.864 278 T HN 0.194 nan 8.240 nan 0.000 0.402 279 S N -1.599 114.131 115.700 0.050 0.000 2.391 279 S HA 0.231 4.701 4.470 -0.001 0.000 0.275 279 S C 0.379 174.975 174.600 -0.006 0.000 1.032 279 S CA -0.772 57.443 58.200 0.026 0.000 1.421 279 S CB 0.193 63.409 63.200 0.027 0.000 1.176 279 S HN 0.352 nan 8.310 nan 0.000 0.615 280 R N 4.595 125.096 120.500 0.002 0.000 2.609 280 R HA 0.269 4.608 4.340 -0.001 0.000 0.271 280 R C 0.133 176.402 176.300 -0.050 0.000 1.403 280 R CA 0.314 56.405 56.100 -0.015 0.000 1.138 280 R CB -1.046 29.259 30.300 0.007 0.000 1.142 280 R HN 0.644 nan 8.270 nan 0.000 0.559 281 T N -0.840 113.640 114.554 -0.122 0.000 2.853 281 T HA 0.084 4.434 4.350 -0.001 0.000 0.298 281 T C 0.771 175.344 174.700 -0.211 0.000 0.978 281 T CA -0.541 61.386 62.100 -0.289 0.000 1.152 281 T CB 0.219 68.876 68.868 -0.351 0.000 0.914 281 T HN 0.692 nan 8.240 nan 0.000 0.539 282 N N 1.530 120.109 118.700 -0.201 0.000 2.238 282 N HA 0.266 5.005 4.740 -0.001 0.000 0.235 282 N C -0.745 174.823 175.510 0.096 0.000 1.209 282 N CA -0.994 52.046 53.050 -0.016 0.000 0.879 282 N CB 0.378 38.904 38.487 0.065 0.000 1.136 282 N HN 0.797 nan 8.380 nan 0.000 0.517 283 Y N -2.079 118.269 120.300 0.081 0.000 2.571 283 Y HA 0.495 5.045 4.550 -0.001 0.000 0.341 283 Y C -0.745 175.246 175.900 0.153 0.000 1.076 283 Y CA -1.512 56.670 58.100 0.137 0.000 1.029 283 Y CB 0.892 39.469 38.460 0.195 0.000 1.308 283 Y HN -0.183 nan 8.280 nan 0.000 0.461 284 E N 1.854 122.268 120.200 0.356 0.000 2.414 284 E HA 0.306 4.655 4.350 -0.001 0.000 0.263 284 E C -0.307 176.460 176.600 0.278 0.000 1.000 284 E CA 0.593 57.118 56.400 0.209 0.000 0.914 284 E CB 1.020 30.795 29.700 0.125 0.000 0.948 284 E HN 0.810 nan 8.360 nan 0.000 0.444 285 T N -0.488 114.149 114.554 0.139 0.000 2.864 285 T HA 0.242 4.592 4.350 -0.001 0.000 0.289 285 T C 0.740 175.564 174.700 0.206 0.000 1.082 285 T CA -0.859 61.355 62.100 0.189 0.000 1.009 285 T CB 0.659 69.579 68.868 0.087 0.000 1.234 285 T HN 0.495 nan 8.240 nan 0.000 0.526 286 F N 1.502 121.516 119.950 0.107 0.000 2.094 286 F HA -0.072 4.455 4.527 -0.001 0.000 0.300 286 F C 2.172 178.015 175.800 0.072 0.000 1.217 286 F CA 2.316 60.411 58.000 0.159 0.000 1.229 286 F CB -0.826 38.187 39.000 0.023 0.000 0.934 286 F HN 0.827 nan 8.300 nan 0.000 0.542 287 A N -0.430 121.986 122.820 -0.673 0.000 2.536 287 A HA 0.237 4.556 4.320 -0.001 0.000 0.219 287 A C 1.674 179.072 177.584 -0.309 0.000 1.926 287 A CA 1.019 52.597 52.037 -0.765 0.000 0.710 287 A CB -0.931 17.550 19.000 -0.866 0.000 1.364 287 A HN 0.299 nan 8.150 nan 0.000 0.522 288 V N -0.919 118.867 119.914 -0.213 0.000 2.906 288 V HA 0.130 4.249 4.120 -0.001 0.000 0.221 288 V C 0.628 176.666 176.094 -0.093 0.000 1.147 288 V CA 0.515 62.738 62.300 -0.128 0.000 1.235 288 V CB -0.761 31.002 31.823 -0.100 0.000 1.000 288 V HN 0.565 nan 8.190 nan 0.000 0.510 289 Q N 0.740 120.500 119.800 -0.068 0.000 2.523 289 Q HA 0.513 4.853 4.340 -0.001 0.000 0.251 289 Q C -1.605 174.383 176.000 -0.019 0.000 1.033 289 Q CA -0.121 55.647 55.803 -0.058 0.000 0.746 289 Q CB 1.884 30.591 28.738 -0.051 0.000 1.189 289 Q HN 0.421 nan 8.270 nan 0.000 0.508 290 V N 3.444 123.357 119.914 -0.001 0.000 2.315 290 V HA 0.183 4.302 4.120 -0.001 0.000 0.265 290 V C -1.993 174.145 176.094 0.075 0.000 1.019 290 V CA -1.391 60.947 62.300 0.063 0.000 0.824 290 V CB 1.073 32.974 31.823 0.131 0.000 1.072 290 V HN 0.499 nan 8.190 nan 0.000 0.448 291 P HA -0.155 nan 4.420 nan 0.000 0.218 291 P C 1.400 178.839 177.300 0.232 0.000 1.146 291 P CA 1.553 64.759 63.100 0.176 0.000 0.813 291 P CB 0.365 32.164 31.700 0.164 0.000 0.778 292 A N -2.226 120.682 122.820 0.146 0.000 2.251 292 A HA 0.162 4.481 4.320 -0.001 0.000 0.209 292 A C 1.211 178.817 177.584 0.037 0.000 1.187 292 A CA 0.503 52.604 52.037 0.106 0.000 0.823 292 A CB -0.770 18.296 19.000 0.110 0.000 0.846 292 A HN 0.135 nan 8.150 nan 0.000 0.486 293 M N 1.725 121.346 119.600 0.034 0.000 2.488 293 M HA 0.228 4.708 4.480 -0.001 0.000 0.204 293 M C -2.827 173.523 176.300 0.084 0.000 0.969 293 M CA -1.846 53.414 55.300 -0.067 0.000 0.720 293 M CB 2.035 34.499 32.600 -0.226 0.000 1.427 293 M HN -0.030 nan 8.290 nan 0.000 0.427 294 P HA 0.043 nan 4.420 nan 0.000 0.271 294 P C -0.955 176.540 177.300 0.325 0.000 1.220 294 P CA -0.005 63.225 63.100 0.218 0.000 0.768 294 P CB 0.721 32.253 31.700 -0.280 0.000 0.848 295 K N 3.659 124.298 120.400 0.399 0.000 2.379 295 K HA 0.164 4.483 4.320 -0.001 0.000 0.284 295 K C -0.378 176.335 176.600 0.188 0.000 1.044 295 K CA -0.576 55.907 56.287 0.327 0.000 0.974 295 K CB 0.152 32.846 32.500 0.323 0.000 0.962 295 K HN 0.312 nan 8.250 nan 0.000 0.474 296 L N 4.158 125.364 121.223 -0.028 0.000 2.371 296 L HA 0.232 4.572 4.340 -0.001 0.000 0.272 296 L C 0.559 177.299 176.870 -0.217 0.000 1.124 296 L CA 0.282 54.931 54.840 -0.320 0.000 0.816 296 L CB 1.038 42.888 42.059 -0.350 0.000 1.129 296 L HN 0.584 nan 8.230 nan 0.000 0.448 297 R N 1.382 121.658 120.500 -0.374 0.000 2.870 297 R HA 0.103 4.443 4.340 -0.001 0.000 0.254 297 R C 0.846 176.882 176.300 -0.441 0.000 1.392 297 R CA 0.422 56.306 56.100 -0.361 0.000 1.322 297 R CB 0.168 30.121 30.300 -0.579 0.000 1.205 297 R HN 0.913 nan 8.270 nan 0.000 0.597 298 T N -0.630 113.633 114.554 -0.484 0.000 2.929 298 T HA -0.126 4.224 4.350 -0.001 0.000 0.271 298 T C 1.103 175.488 174.700 -0.526 0.000 1.085 298 T CA 1.121 62.766 62.100 -0.759 0.000 1.125 298 T CB 0.015 68.178 68.868 -1.175 0.000 0.874 298 T HN 0.592 nan 8.240 nan 0.000 0.494 299 E N 1.169 121.176 120.200 -0.321 0.000 2.268 299 E HA -0.005 4.344 4.350 -0.001 0.000 0.195 299 E C 0.823 177.292 176.600 -0.218 0.000 0.995 299 E CA 0.042 56.323 56.400 -0.199 0.000 0.836 299 E CB -0.047 29.599 29.700 -0.090 0.000 0.763 299 E HN 0.445 nan 8.360 nan 0.000 0.491 300 N N 1.120 119.639 118.700 -0.302 0.000 2.452 300 N HA -0.006 4.734 4.740 -0.001 0.000 0.266 300 N C -2.047 173.261 175.510 -0.336 0.000 1.175 300 N CA -1.550 51.316 53.050 -0.306 0.000 0.945 300 N CB 1.254 39.502 38.487 -0.399 0.000 1.063 300 N HN -0.203 nan 8.380 nan 0.000 0.472 301 P HA -0.096 nan 4.420 nan 0.000 0.218 301 P C 0.622 177.767 177.300 -0.258 0.000 1.148 301 P CA 1.252 64.225 63.100 -0.211 0.000 0.822 301 P CB 0.423 32.053 31.700 -0.116 0.000 0.784 302 E N -0.820 119.200 120.200 -0.300 0.000 2.072 302 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 302 E C 1.847 178.049 176.600 -0.662 0.000 0.982 302 E CA 0.922 57.125 56.400 -0.328 0.000 0.803 302 E CB -0.363 29.229 29.700 -0.180 0.000 0.755 302 E HN 0.032 nan 8.360 nan 0.000 0.453 303 V N 1.520 120.847 119.914 -0.978 0.000 2.515 303 V HA -0.222 3.898 4.120 -0.001 0.000 0.250 303 V C 2.286 178.019 176.094 -0.601 0.000 1.058 303 V CA 1.583 63.282 62.300 -1.002 0.000 1.064 303 V CB -0.394 30.876 31.823 -0.921 0.000 0.675 303 V HN 0.191 nan 8.190 nan 0.000 0.461 304 K N 0.014 120.077 120.400 -0.562 0.000 2.007 304 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 304 K C 2.260 178.463 176.600 -0.662 0.000 1.047 304 K CA 1.317 57.237 56.287 -0.611 0.000 0.937 304 K CB -0.121 32.047 32.500 -0.553 0.000 0.718 304 K HN 0.300 nan 8.250 nan 0.000 0.438 305 E N 0.140 120.108 120.200 -0.386 0.000 2.070 305 E HA -0.236 4.113 4.350 -0.001 0.000 0.197 305 E C 1.855 178.458 176.600 0.005 0.000 1.004 305 E CA 1.384 57.701 56.400 -0.139 0.000 0.805 305 E CB -0.402 29.279 29.700 -0.031 0.000 0.744 305 E HN 0.433 nan 8.360 nan 0.000 0.451 306 Y N 1.022 121.245 120.300 -0.130 0.000 2.089 306 Y HA -0.195 4.355 4.550 -0.001 0.000 0.282 306 Y C 2.422 178.318 175.900 -0.006 0.000 1.139 306 Y CA 1.592 59.694 58.100 0.005 0.000 1.123 306 Y CB -0.425 38.074 38.460 0.065 0.000 0.980 306 Y HN -0.056 nan 8.280 nan 0.000 0.493 307 L N -0.566 120.554 121.223 -0.172 0.000 2.129 307 L HA -0.287 4.052 4.340 -0.001 0.000 0.212 307 L C 2.403 179.221 176.870 -0.087 0.000 1.087 307 L CA 1.493 56.105 54.840 -0.381 0.000 0.757 307 L CB -0.663 41.038 42.059 -0.596 0.000 0.896 307 L HN 0.354 nan 8.230 nan 0.000 0.434 308 F N -0.186 119.680 119.950 -0.140 0.000 2.186 308 F HA -0.234 4.293 4.527 -0.001 0.000 0.299 308 F C 2.261 178.067 175.800 0.010 0.000 1.090 308 F CA 0.337 58.326 58.000 -0.017 0.000 1.307 308 F CB -0.101 38.906 39.000 0.012 0.000 1.019 308 F HN 0.177 nan 8.300 nan 0.000 0.489 309 D N 0.128 120.613 120.400 0.142 0.000 2.144 309 D HA -0.128 4.511 4.640 -0.001 0.000 0.200 309 D C 2.345 178.693 176.300 0.081 0.000 0.978 309 D CA 0.861 54.907 54.000 0.078 0.000 0.833 309 D CB -0.431 40.372 40.800 0.005 0.000 0.961 309 D HN 0.022 nan 8.370 nan 0.000 0.470 310 V N 1.392 121.302 119.914 -0.007 0.000 2.287 310 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 310 V C 2.529 178.930 176.094 0.511 0.000 1.053 310 V CA 1.922 64.309 62.300 0.145 0.000 1.027 310 V CB -0.887 31.009 31.823 0.121 0.000 0.646 310 V HN 0.194 nan 8.190 nan 0.000 0.447 311 A N -0.140 122.984 122.820 0.508 0.000 1.902 311 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 311 A C 2.376 180.370 177.584 0.684 0.000 1.181 311 A CA 1.924 54.404 52.037 0.740 0.000 0.623 311 A CB -0.530 18.703 19.000 0.388 0.000 0.818 311 A HN 0.511 nan 8.150 nan 0.000 0.443 312 R N -1.858 118.869 120.500 0.377 0.000 2.096 312 R HA -0.182 4.157 4.340 -0.001 0.000 0.240 312 R C 2.028 178.478 176.300 0.249 0.000 1.139 312 R CA 1.759 58.017 56.100 0.263 0.000 0.952 312 R CB -0.652 29.747 30.300 0.166 0.000 0.854 312 R HN 0.612 nan 8.270 nan 0.000 0.436 313 F N 0.132 120.116 119.950 0.057 0.000 2.065 313 F HA -0.290 4.237 4.527 -0.001 0.000 0.298 313 F C 1.718 177.433 175.800 -0.142 0.000 1.112 313 F CA 1.763 59.674 58.000 -0.148 0.000 1.212 313 F CB -0.323 38.442 39.000 -0.393 0.000 0.975 313 F HN 0.052 nan 8.300 nan 0.000 0.476 314 W N -0.219 121.283 121.300 0.336 0.000 2.467 314 W HA -0.140 4.519 4.660 -0.001 0.000 0.275 314 W C 2.348 178.915 176.519 0.079 0.000 1.239 314 W CA 0.420 57.872 57.345 0.178 0.000 1.266 314 W CB -0.301 29.367 29.460 0.347 0.000 1.112 314 W HN -0.001 nan 8.180 nan 0.000 0.576 315 M N 0.042 119.847 119.600 0.341 0.000 2.175 315 M HA -0.160 4.320 4.480 -0.001 0.000 0.264 315 M C 1.568 177.933 176.300 0.109 0.000 1.063 315 M CA 1.617 57.047 55.300 0.217 0.000 1.119 315 M CB -1.029 31.724 32.600 0.256 0.000 1.377 315 M HN 0.139 nan 8.290 nan 0.000 0.415 316 E N -0.090 120.132 120.200 0.036 0.000 2.347 316 E HA -0.144 4.205 4.350 -0.001 0.000 0.196 316 E C 1.836 178.396 176.600 -0.067 0.000 1.008 316 E CA 0.532 56.909 56.400 -0.038 0.000 0.852 316 E CB 0.043 29.688 29.700 -0.091 0.000 0.783 316 E HN 0.494 nan 8.360 nan 0.000 0.505 317 Q N -0.669 119.097 119.800 -0.057 0.000 2.432 317 Q HA 0.020 4.359 4.340 -0.001 0.000 0.205 317 Q C 1.384 177.451 176.000 0.112 0.000 0.945 317 Q CA 0.928 56.750 55.803 0.032 0.000 0.924 317 Q CB 1.031 29.891 28.738 0.203 0.000 1.016 317 Q HN 0.441 nan 8.270 nan 0.000 0.503 318 G N 1.429 110.299 108.800 0.116 0.000 2.184 318 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.206 318 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.206 318 G C 0.394 175.393 174.900 0.165 0.000 0.995 318 G CA 0.115 45.299 45.100 0.141 0.000 0.651 318 G HN 0.422 nan 8.290 nan 0.000 0.511 319 I N -1.727 118.921 120.570 0.129 0.000 2.993 319 I HA 0.404 4.573 4.170 -0.001 0.000 0.286 319 I C 0.595 176.733 176.117 0.034 0.000 1.215 319 I CA 0.400 61.735 61.300 0.059 0.000 1.393 319 I CB 0.520 38.499 38.000 -0.034 0.000 1.371 319 I HN -0.035 nan 8.210 nan 0.000 0.602 320 D N 2.795 123.210 120.400 0.026 0.000 2.433 320 D HA 0.309 4.949 4.640 -0.001 0.000 0.211 320 D C 0.587 176.976 176.300 0.147 0.000 1.114 320 D CA 0.347 54.387 54.000 0.066 0.000 0.837 320 D CB 1.262 42.050 40.800 -0.020 0.000 0.984 320 D HN 0.880 nan 8.370 nan 0.000 0.505 321 G N 0.278 109.078 108.800 0.001 0.000 2.356 321 G HA2 0.365 4.325 3.960 -0.001 0.000 0.294 321 G HA3 0.365 4.325 3.960 -0.001 0.000 0.294 321 G C -2.266 172.567 174.900 -0.111 0.000 1.423 321 G CA -1.053 44.082 45.100 0.057 0.000 0.806 321 G HN -0.010 nan 8.290 nan 0.000 0.527 322 W N -0.397 120.974 121.300 0.119 0.000 2.864 322 W HA 0.819 5.478 4.660 -0.001 0.000 0.343 322 W C 0.157 176.596 176.519 -0.133 0.000 1.109 322 W CA -0.944 56.429 57.345 0.046 0.000 1.192 322 W CB 2.012 31.529 29.460 0.095 0.000 1.426 322 W HN 0.394 nan 8.180 nan 0.000 0.529 323 R N 2.401 122.951 120.500 0.084 0.000 2.409 323 R HA 0.476 4.816 4.340 -0.001 0.000 0.313 323 R C -1.281 174.885 176.300 -0.223 0.000 0.953 323 R CA -0.687 55.287 56.100 -0.209 0.000 0.849 323 R CB 0.810 31.000 30.300 -0.184 0.000 1.171 323 R HN 0.614 nan 8.270 nan 0.000 0.458 324 L N 4.182 125.134 121.223 -0.452 0.000 2.261 324 L HA 0.309 4.648 4.340 -0.001 0.000 0.289 324 L C 0.691 177.347 176.870 -0.358 0.000 1.059 324 L CA -0.257 54.296 54.840 -0.478 0.000 0.816 324 L CB 0.714 42.274 42.059 -0.831 0.000 1.191 324 L HN 0.481 nan 8.230 nan 0.000 0.431 325 N N 2.186 120.763 118.700 -0.204 0.000 2.520 325 N HA 0.174 4.913 4.740 -0.001 0.000 0.273 325 N C 0.559 175.990 175.510 -0.131 0.000 1.155 325 N CA -0.518 52.450 53.050 -0.137 0.000 0.967 325 N CB 1.012 39.490 38.487 -0.016 0.000 1.092 325 N HN 0.445 nan 8.380 nan 0.000 0.457 326 V N 1.854 121.685 119.914 -0.138 0.000 4.935 326 V HA -0.333 3.787 4.120 -0.001 0.000 0.273 326 V C 1.544 177.624 176.094 -0.024 0.000 0.517 326 V CA 1.090 63.344 62.300 -0.077 0.000 0.745 326 V CB -2.854 28.933 31.823 -0.062 0.000 0.647 326 V HN 0.851 nan 8.190 nan 0.000 1.220 327 A N 1.407 124.181 122.820 -0.078 0.000 1.908 327 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 327 A C 1.875 179.588 177.584 0.215 0.000 1.181 327 A CA 2.036 54.138 52.037 0.108 0.000 0.627 327 A CB -0.665 18.143 19.000 -0.319 0.000 0.818 327 A HN 1.136 nan 8.150 nan 0.000 0.445 328 N N -0.736 117.886 118.700 -0.131 0.000 2.651 328 N HA -0.146 4.594 4.740 -0.001 0.000 0.193 328 N C 0.882 176.502 175.510 0.184 0.000 1.149 328 N CA 1.016 53.964 53.050 -0.170 0.000 0.933 328 N CB -0.169 38.090 38.487 -0.379 0.000 0.974 328 N HN 0.641 nan 8.380 nan 0.000 0.448 329 E N 0.566 120.865 120.200 0.166 0.000 2.501 329 E HA 0.059 4.409 4.350 -0.001 0.000 0.201 329 E C -0.212 176.445 176.600 0.096 0.000 1.016 329 E CA -0.250 56.232 56.400 0.136 0.000 0.920 329 E CB 1.000 30.754 29.700 0.091 0.000 1.023 329 E HN 0.340 nan 8.360 nan 0.000 0.474 330 V N 0.487 120.482 119.914 0.135 0.000 2.715 330 V HA 0.241 4.360 4.120 -0.001 0.000 0.310 330 V C -0.542 175.519 176.094 -0.055 0.000 1.054 330 V CA -1.156 61.101 62.300 -0.072 0.000 0.928 330 V CB 1.788 33.423 31.823 -0.314 0.000 1.007 330 V HN 0.062 nan 8.190 nan 0.000 0.437 331 D N 2.932 123.267 120.400 -0.109 0.000 2.472 331 D HA -0.038 4.601 4.640 -0.001 0.000 0.237 331 D C 0.708 177.021 176.300 0.022 0.000 1.141 331 D CA 0.474 54.476 54.000 0.005 0.000 0.875 331 D CB 0.568 41.372 40.800 0.007 0.000 1.192 331 D HN 0.778 nan 8.370 nan 0.000 0.450 332 H N 1.931 121.074 119.070 0.123 0.000 2.352 332 H HA -0.076 4.480 4.556 -0.001 0.000 0.299 332 H C 2.170 177.575 175.328 0.127 0.000 1.097 332 H CA 2.372 58.512 56.048 0.153 0.000 1.311 332 H CB -0.393 29.377 29.762 0.013 0.000 1.377 332 H HN 0.662 nan 8.280 nan 0.000 0.504 333 A N 0.685 123.630 122.820 0.208 0.000 1.927 333 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 333 A C 2.251 179.949 177.584 0.191 0.000 1.185 333 A CA 1.885 54.014 52.037 0.154 0.000 0.639 333 A CB -1.276 17.785 19.000 0.102 0.000 0.820 333 A HN 0.514 nan 8.150 nan 0.000 0.451 334 F N -1.105 118.812 119.950 -0.054 0.000 2.069 334 F HA -0.260 4.266 4.527 -0.001 0.000 0.298 334 F C 2.219 178.123 175.800 0.174 0.000 1.113 334 F CA 2.012 59.944 58.000 -0.114 0.000 1.214 334 F CB -0.273 38.388 39.000 -0.566 0.000 0.978 334 F HN 0.454 nan 8.300 nan 0.000 0.474 335 W N -0.141 121.283 121.300 0.206 0.000 2.388 335 W HA -0.111 4.548 4.660 -0.001 0.000 0.294 335 W C 2.612 179.204 176.519 0.121 0.000 1.212 335 W CA 0.389 57.826 57.345 0.154 0.000 1.271 335 W CB -0.435 29.080 29.460 0.092 0.000 1.126 335 W HN -0.112 nan 8.180 nan 0.000 0.535 336 R N 1.066 121.755 120.500 0.315 0.000 2.083 336 R HA -0.184 4.156 4.340 -0.001 0.000 0.237 336 R C 1.851 178.237 176.300 0.143 0.000 1.137 336 R CA 2.058 58.264 56.100 0.176 0.000 0.951 336 R CB -0.360 30.019 30.300 0.131 0.000 0.851 336 R HN 0.203 nan 8.270 nan 0.000 0.434 337 E N -1.215 119.087 120.200 0.170 0.000 2.230 337 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 337 E C 1.614 178.207 176.600 -0.013 0.000 0.987 337 E CA 0.568 57.050 56.400 0.137 0.000 0.841 337 E CB -0.120 29.739 29.700 0.265 0.000 0.783 337 E HN 0.267 nan 8.360 nan 0.000 0.481 338 F N 2.475 122.325 119.950 -0.167 0.000 2.102 338 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 338 F C 2.425 178.093 175.800 -0.220 0.000 1.105 338 F CA 1.613 59.342 58.000 -0.450 0.000 1.239 338 F CB -0.100 38.809 39.000 -0.150 0.000 0.991 338 F HN -0.219 nan 8.300 nan 0.000 0.474 339 R N 0.308 120.795 120.500 -0.022 0.000 2.096 339 R HA -0.235 4.104 4.340 -0.001 0.000 0.240 339 R C 2.597 178.812 176.300 -0.142 0.000 1.139 339 R CA 1.920 57.977 56.100 -0.072 0.000 0.952 339 R CB -0.482 29.854 30.300 0.060 0.000 0.854 339 R HN 0.289 nan 8.270 nan 0.000 0.436 340 R N 0.250 120.687 120.500 -0.105 0.000 2.091 340 R HA -0.186 4.154 4.340 -0.001 0.000 0.238 340 R C 2.329 178.543 176.300 -0.145 0.000 1.136 340 R CA 1.728 57.774 56.100 -0.090 0.000 0.959 340 R CB -0.388 29.884 30.300 -0.048 0.000 0.856 340 R HN 0.253 nan 8.270 nan 0.000 0.437 341 L N 0.392 121.458 121.223 -0.262 0.000 1.948 341 L HA -0.154 4.185 4.340 -0.001 0.000 0.212 341 L C 2.194 178.911 176.870 -0.254 0.000 1.074 341 L CA 1.694 56.356 54.840 -0.296 0.000 0.753 341 L CB -0.846 40.890 42.059 -0.539 0.000 0.888 341 L HN 0.014 nan 8.230 nan 0.000 0.432 342 V N 0.388 120.062 119.914 -0.401 0.000 2.250 342 V HA -0.376 3.743 4.120 -0.001 0.000 0.250 342 V C 2.779 178.825 176.094 -0.079 0.000 1.060 342 V CA 2.216 64.372 62.300 -0.241 0.000 1.030 342 V CB -0.893 30.705 31.823 -0.374 0.000 0.643 342 V HN 0.469 nan 8.190 nan 0.000 0.445 343 K N -0.038 120.311 120.400 -0.085 0.000 2.103 343 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 343 K C 2.368 178.962 176.600 -0.010 0.000 1.048 343 K CA 1.631 57.906 56.287 -0.019 0.000 0.930 343 K CB -0.705 31.784 32.500 -0.018 0.000 0.716 343 K HN 0.485 nan 8.250 nan 0.000 0.444 344 S N 1.269 116.949 115.700 -0.034 0.000 2.402 344 S HA 0.016 4.486 4.470 -0.001 0.000 0.229 344 S C 1.974 176.574 174.600 -0.000 0.000 1.021 344 S CA 0.681 58.871 58.200 -0.016 0.000 0.974 344 S CB -0.053 63.130 63.200 -0.028 0.000 0.800 344 S HN 0.199 nan 8.310 nan 0.000 0.484 345 L N 0.667 121.891 121.223 0.001 0.000 2.179 345 L HA 0.114 4.453 4.340 -0.001 0.000 0.208 345 L C 0.635 177.529 176.870 0.039 0.000 1.096 345 L CA 0.594 55.450 54.840 0.026 0.000 0.779 345 L CB -0.057 42.030 42.059 0.046 0.000 0.922 345 L HN 0.261 nan 8.230 nan 0.000 0.443 346 N N -0.759 117.968 118.700 0.046 0.000 2.747 346 N HA 0.110 4.850 4.740 -0.001 0.000 0.262 346 N C -2.192 173.360 175.510 0.070 0.000 1.261 346 N CA -1.345 51.740 53.050 0.059 0.000 0.809 346 N CB 1.355 39.888 38.487 0.077 0.000 1.450 346 N HN -0.259 nan 8.380 nan 0.000 0.560 347 P HA -0.061 nan 4.420 nan 0.000 0.220 347 P C -0.140 177.221 177.300 0.101 0.000 1.144 347 P CA 1.085 64.224 63.100 0.065 0.000 0.800 347 P CB 0.477 32.208 31.700 0.053 0.000 0.772 348 D N -0.389 120.097 120.400 0.143 0.000 2.325 348 D HA 0.192 4.831 4.640 -0.001 0.000 0.225 348 D C 0.738 177.260 176.300 0.369 0.000 1.096 348 D CA 0.001 54.155 54.000 0.258 0.000 0.844 348 D CB -0.162 40.815 40.800 0.295 0.000 0.925 348 D HN 0.133 nan 8.370 nan 0.000 0.513 349 A N 0.903 123.865 122.820 0.237 0.000 2.409 349 A HA 0.341 4.661 4.320 -0.001 0.000 0.267 349 A C -0.096 177.622 177.584 0.223 0.000 1.127 349 A CA -0.374 51.816 52.037 0.254 0.000 0.795 349 A CB 0.277 19.390 19.000 0.189 0.000 1.061 349 A HN 0.200 nan 8.150 nan 0.000 0.502 350 L N 3.756 125.142 121.223 0.271 0.000 2.312 350 L HA 0.641 4.980 4.340 -0.001 0.000 0.281 350 L C -0.576 176.370 176.870 0.127 0.000 1.070 350 L CA -0.071 54.840 54.840 0.119 0.000 0.805 350 L CB 0.704 42.791 42.059 0.046 0.000 1.174 350 L HN 0.568 nan 8.230 nan 0.000 0.434 351 I N 5.896 126.491 120.570 0.041 0.000 2.382 351 I HA 0.424 4.593 4.170 -0.001 0.000 0.286 351 I C -0.994 174.974 176.117 -0.248 0.000 1.002 351 I CA -0.697 60.605 61.300 0.003 0.000 1.135 351 I CB 1.753 39.816 38.000 0.105 0.000 1.288 351 I HN 0.262 nan 8.210 nan 0.000 0.448 352 V N 5.039 124.674 119.914 -0.465 0.000 2.487 352 V HA 0.665 4.785 4.120 -0.001 0.000 0.298 352 V C 0.515 176.042 176.094 -0.945 0.000 1.028 352 V CA -0.559 61.288 62.300 -0.756 0.000 0.860 352 V CB 1.604 32.745 31.823 -1.137 0.000 0.991 352 V HN 0.842 nan 8.190 nan 0.000 0.427 353 G N 2.190 110.314 108.800 -1.126 0.000 2.434 353 G HA2 0.583 4.542 3.960 -0.001 0.000 0.330 353 G HA3 0.583 4.542 3.960 -0.001 0.000 0.330 353 G C -0.830 173.652 174.900 -0.695 0.000 1.155 353 G CA -0.378 43.953 45.100 -1.283 0.000 0.917 353 G HN 0.667 nan 8.290 nan 0.000 0.493 354 E N 0.686 120.563 120.200 -0.539 0.000 2.073 354 E HA 0.441 4.791 4.350 -0.001 0.000 0.269 354 E C -0.880 175.553 176.600 -0.278 0.000 0.917 354 E CA -0.320 55.888 56.400 -0.319 0.000 0.757 354 E CB 0.734 30.267 29.700 -0.278 0.000 1.111 354 E HN 0.314 nan 8.360 nan 0.000 0.410 355 I N 4.031 124.494 120.570 -0.178 0.000 2.534 355 I HA 0.173 4.343 4.170 -0.001 0.000 0.286 355 I C 0.000 176.076 176.117 -0.068 0.000 1.094 355 I CA -0.645 60.491 61.300 -0.273 0.000 1.055 355 I CB 1.506 39.179 38.000 -0.545 0.000 1.225 355 I HN 0.627 nan 8.210 nan 0.000 0.435 356 W N 6.834 127.854 121.300 -0.467 0.000 3.285 356 W HA 0.120 4.779 4.660 -0.002 0.000 0.426 356 W C 0.080 176.122 176.519 -0.795 0.000 0.957 356 W CA -0.180 56.765 57.345 -0.668 0.000 1.932 356 W CB 0.126 29.367 29.460 -0.364 0.000 0.961 356 W HN 0.711 nan 8.180 nan 0.000 0.832 357 H N -3.583 115.266 119.070 -0.369 0.000 2.887 357 H HA 0.090 4.645 4.556 -0.001 0.000 0.290 357 H C -0.735 174.754 175.328 0.268 0.000 1.429 357 H CA -1.112 54.907 56.048 -0.048 0.000 1.137 357 H CB 0.009 29.803 29.762 0.053 0.000 1.824 357 H HN -0.281 nan 8.280 nan 0.000 0.520 358 D N 0.166 120.904 120.400 0.563 0.000 2.554 358 D HA 0.059 4.698 4.640 -0.001 0.000 0.251 358 D C 0.503 177.151 176.300 0.579 0.000 1.213 358 D CA 0.985 55.286 54.000 0.502 0.000 0.900 358 D CB 0.342 41.361 40.800 0.365 0.000 1.135 358 D HN 0.739 nan 8.370 nan 0.000 0.522 359 A N 3.180 126.363 122.820 0.605 0.000 2.460 359 A HA 0.060 4.379 4.320 -0.001 0.000 0.258 359 A C 1.980 180.014 177.584 0.750 0.000 1.300 359 A CA 0.462 52.903 52.037 0.672 0.000 0.913 359 A CB -0.246 18.948 19.000 0.323 0.000 1.031 359 A HN 0.577 nan 8.150 nan 0.000 0.512 360 S N -0.236 115.869 115.700 0.675 0.000 2.400 360 S HA -0.190 4.279 4.470 -0.001 0.000 0.234 360 S C 1.914 176.704 174.600 0.317 0.000 1.049 360 S CA 1.767 60.279 58.200 0.521 0.000 1.039 360 S CB -1.081 62.285 63.200 0.276 0.000 0.856 360 S HN 0.775 nan 8.310 nan 0.000 0.465 361 G N -0.592 108.327 108.800 0.198 0.000 2.498 361 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.219 361 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.219 361 G C 1.008 175.764 174.900 -0.240 0.000 1.119 361 G CA 0.463 45.483 45.100 -0.134 0.000 0.766 361 G HN 0.645 nan 8.290 nan 0.000 0.552 362 W N -0.664 120.691 121.300 0.093 0.000 3.103 362 W HA 0.378 5.037 4.660 -0.001 0.000 0.325 362 W C 0.161 176.630 176.519 -0.083 0.000 1.170 362 W CA -0.292 57.001 57.345 -0.086 0.000 1.712 362 W CB 0.554 29.904 29.460 -0.183 0.000 1.068 362 W HN -0.014 nan 8.180 nan 0.000 0.592 363 L N 0.886 122.245 121.223 0.226 0.000 3.073 363 L HA 0.172 4.511 4.340 -0.001 0.000 0.242 363 L C 1.124 178.130 176.870 0.227 0.000 1.317 363 L CA 0.232 55.209 54.840 0.229 0.000 1.081 363 L CB -0.629 41.569 42.059 0.232 0.000 1.456 363 L HN -0.113 nan 8.230 nan 0.000 0.525 364 M N -0.822 118.763 119.600 -0.024 0.000 2.441 364 M HA 0.314 4.793 4.480 -0.001 0.000 0.244 364 M C 1.560 177.611 176.300 -0.415 0.000 1.122 364 M CA 0.463 55.727 55.300 -0.059 0.000 1.041 364 M CB -0.134 32.440 32.600 -0.044 0.000 1.438 364 M HN 0.447 nan 8.290 nan 0.000 0.484 365 G N 1.318 109.481 108.800 -1.062 0.000 2.176 365 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.232 365 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.232 365 G C 0.406 174.966 174.900 -0.568 0.000 0.986 365 G CA 0.564 44.759 45.100 -1.509 0.000 0.643 365 G HN 0.524 nan 8.290 nan 0.000 0.522 366 D N -0.400 119.802 120.400 -0.329 0.000 2.379 366 D HA 0.186 4.825 4.640 -0.001 0.000 0.208 366 D C 1.579 177.822 176.300 -0.095 0.000 1.065 366 D CA 0.972 54.879 54.000 -0.155 0.000 0.848 366 D CB 0.031 40.778 40.800 -0.089 0.000 0.949 366 D HN 0.558 nan 8.370 nan 0.000 0.509 367 Q N -0.657 119.059 119.800 -0.140 0.000 2.243 367 Q HA 0.328 4.667 4.340 -0.001 0.000 0.167 367 Q C -0.014 175.997 176.000 0.019 0.000 0.619 367 Q CA -0.246 55.499 55.803 -0.096 0.000 0.745 367 Q CB 0.706 29.289 28.738 -0.258 0.000 1.071 367 Q HN 0.088 nan 8.270 nan 0.000 0.502 368 F N 1.578 121.508 119.950 -0.033 0.000 2.377 368 F HA 0.197 4.723 4.527 -0.001 0.000 0.328 368 F C 0.883 176.641 175.800 -0.069 0.000 1.094 368 F CA -0.930 57.007 58.000 -0.106 0.000 1.093 368 F CB 0.972 39.864 39.000 -0.180 0.000 1.214 368 F HN 0.194 nan 8.300 nan 0.000 0.518 369 D N 0.090 120.579 120.400 0.150 0.000 2.249 369 D HA -0.013 4.627 4.640 -0.001 0.000 0.205 369 D C 0.667 177.037 176.300 0.118 0.000 0.962 369 D CA 0.978 55.070 54.000 0.154 0.000 0.860 369 D CB 0.447 41.277 40.800 0.049 0.000 0.955 369 D HN 0.454 nan 8.370 nan 0.000 0.505 370 S N -1.131 114.550 115.700 -0.031 0.000 2.663 370 S HA 0.442 4.911 4.470 -0.001 0.000 0.264 370 S C -1.191 173.229 174.600 -0.300 0.000 1.112 370 S CA -0.579 57.531 58.200 -0.149 0.000 0.823 370 S CB 1.030 64.112 63.200 -0.196 0.000 1.111 370 S HN -0.029 nan 8.310 nan 0.000 0.476 371 V N -1.578 118.140 119.914 -0.327 0.000 3.165 371 V HA 0.687 4.807 4.120 -0.001 0.000 0.309 371 V C -0.454 175.492 176.094 -0.247 0.000 1.267 371 V CA -1.383 60.713 62.300 -0.340 0.000 1.067 371 V CB 1.697 33.386 31.823 -0.223 0.000 1.082 371 V HN 0.973 nan 8.190 nan 0.000 0.451 372 M N 3.094 122.619 119.600 -0.125 0.000 2.194 372 M HA 0.271 4.751 4.480 -0.001 0.000 0.347 372 M C 0.101 176.478 176.300 0.130 0.000 1.439 372 M CA 0.248 55.599 55.300 0.086 0.000 1.131 372 M CB -0.365 32.406 32.600 0.286 0.000 1.733 372 M HN 0.862 nan 8.290 nan 0.000 0.467 373 N N 3.919 122.677 118.700 0.096 0.000 2.819 373 N HA -0.045 4.695 4.740 -0.001 0.000 0.284 373 N C 0.664 176.212 175.510 0.063 0.000 1.196 373 N CA -0.016 53.082 53.050 0.081 0.000 1.114 373 N CB -0.211 38.314 38.487 0.063 0.000 1.437 373 N HN 0.514 nan 8.380 nan 0.000 0.518 374 Y N 1.027 121.217 120.300 -0.183 0.000 2.403 374 Y HA -0.042 4.507 4.550 -0.001 0.000 0.291 374 Y C 1.229 176.983 175.900 -0.244 0.000 1.143 374 Y CA 0.455 58.260 58.100 -0.490 0.000 1.257 374 Y CB 0.027 37.728 38.460 -1.265 0.000 0.984 374 Y HN 0.222 nan 8.280 nan 0.000 0.550 375 L N -0.072 120.680 121.223 -0.786 0.000 2.156 375 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 375 L C 2.266 179.028 176.870 -0.180 0.000 1.095 375 L CA 1.160 55.615 54.840 -0.641 0.000 0.770 375 L CB -1.620 40.092 42.059 -0.578 0.000 0.914 375 L HN 0.453 nan 8.230 nan 0.000 0.439 376 F N 0.619 120.470 119.950 -0.166 0.000 2.102 376 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 376 F C 2.804 178.626 175.800 0.036 0.000 1.105 376 F CA 1.715 59.696 58.000 -0.032 0.000 1.239 376 F CB -0.212 38.808 39.000 0.033 0.000 0.991 376 F HN -0.011 nan 8.300 nan 0.000 0.474 377 R N 0.618 121.300 120.500 0.303 0.000 2.070 377 R HA -0.188 4.151 4.340 -0.001 0.000 0.233 377 R C 2.240 178.617 176.300 0.128 0.000 1.137 377 R CA 2.113 58.366 56.100 0.256 0.000 0.945 377 R CB -0.582 29.877 30.300 0.266 0.000 0.845 377 R HN 0.397 nan 8.270 nan 0.000 0.430 378 E N -0.249 119.979 120.200 0.046 0.000 2.171 378 E HA -0.178 4.171 4.350 -0.001 0.000 0.197 378 E C 1.946 178.540 176.600 -0.009 0.000 0.997 378 E CA 1.621 58.030 56.400 0.015 0.000 0.810 378 E CB 0.035 29.710 29.700 -0.043 0.000 0.738 378 E HN 0.320 nan 8.360 nan 0.000 0.467 379 S N 0.140 115.807 115.700 -0.055 0.000 2.377 379 S HA -0.107 4.362 4.470 -0.001 0.000 0.223 379 S C 2.335 176.951 174.600 0.028 0.000 1.030 379 S CA 1.062 59.234 58.200 -0.045 0.000 0.970 379 S CB -0.022 63.078 63.200 -0.167 0.000 0.830 379 S HN 0.315 nan 8.310 nan 0.000 0.473 380 V N 0.153 120.068 119.914 0.002 0.000 2.427 380 V HA -0.055 4.064 4.120 -0.001 0.000 0.248 380 V C 1.940 178.199 176.094 0.275 0.000 1.051 380 V CA 1.145 63.500 62.300 0.092 0.000 1.048 380 V CB -0.877 31.056 31.823 0.183 0.000 0.666 380 V HN 0.236 nan 8.190 nan 0.000 0.456 381 I N 0.927 121.677 120.570 0.300 0.000 2.113 381 I HA -0.116 4.053 4.170 -0.001 0.000 0.238 381 I C 2.938 179.071 176.117 0.027 0.000 1.070 381 I CA 1.698 63.117 61.300 0.199 0.000 1.332 381 I CB -0.807 37.278 38.000 0.142 0.000 1.044 381 I HN 0.188 nan 8.210 nan 0.000 0.402 382 R N -0.860 119.641 120.500 0.001 0.000 2.127 382 R HA -0.216 4.123 4.340 -0.001 0.000 0.238 382 R C 2.273 178.516 176.300 -0.095 0.000 1.134 382 R CA 1.679 57.752 56.100 -0.044 0.000 0.975 382 R CB -0.596 29.681 30.300 -0.039 0.000 0.865 382 R HN 0.288 nan 8.270 nan 0.000 0.447 383 F N -0.073 119.619 119.950 -0.430 0.000 2.220 383 F HA 0.061 4.587 4.527 -0.001 0.000 0.290 383 F C 1.666 177.081 175.800 -0.641 0.000 1.080 383 F CA 0.906 58.441 58.000 -0.775 0.000 1.318 383 F CB -0.219 37.764 39.000 -1.694 0.000 1.063 383 F HN -0.188 nan 8.300 nan 0.000 0.498 384 F N -0.443 119.283 119.950 -0.373 0.000 2.262 384 F HA 0.135 4.661 4.527 -0.001 0.000 0.292 384 F C 2.394 178.099 175.800 -0.159 0.000 1.081 384 F CA 0.610 58.434 58.000 -0.294 0.000 1.355 384 F CB -0.813 38.209 39.000 0.038 0.000 1.069 384 F HN 0.027 nan 8.300 nan 0.000 0.506 385 A N 0.374 123.208 122.820 0.023 0.000 1.832 385 A HA -0.136 4.183 4.320 -0.001 0.000 0.214 385 A C 2.209 179.730 177.584 -0.105 0.000 1.242 385 A CA 2.104 54.055 52.037 -0.143 0.000 0.603 385 A CB -1.394 17.395 19.000 -0.350 0.000 0.902 385 A HN 0.333 nan 8.150 nan 0.000 0.455 386 T N -3.977 110.519 114.554 -0.096 0.000 2.978 386 T HA 0.343 4.693 4.350 -0.001 0.000 0.262 386 T C 1.443 176.100 174.700 -0.072 0.000 1.063 386 T CA 1.409 63.466 62.100 -0.073 0.000 1.140 386 T CB -0.308 68.527 68.868 -0.055 0.000 0.886 386 T HN 1.956 nan 8.240 nan 0.000 0.470 387 G N 1.299 110.037 108.800 -0.104 0.000 2.147 387 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 387 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 387 G C 0.442 175.307 174.900 -0.058 0.000 1.005 387 G CA 0.451 45.483 45.100 -0.114 0.000 0.713 387 G HN 0.601 nan 8.290 nan 0.000 0.515 388 E N -0.692 119.480 120.200 -0.047 0.000 2.274 388 E HA 0.130 4.479 4.350 -0.001 0.000 0.194 388 E C 1.537 178.132 176.600 -0.008 0.000 0.996 388 E CA 1.132 57.518 56.400 -0.023 0.000 0.840 388 E CB 0.111 29.796 29.700 -0.026 0.000 0.772 388 E HN 0.931 nan 8.360 nan 0.000 0.491 389 I N -1.915 118.644 120.570 -0.018 0.000 2.828 389 I HA 0.350 4.519 4.170 -0.001 0.000 0.302 389 I C -0.012 176.132 176.117 0.045 0.000 1.101 389 I CA -1.220 60.053 61.300 -0.046 0.000 1.031 389 I CB 1.863 39.777 38.000 -0.143 0.000 1.231 389 I HN -0.164 nan 8.210 nan 0.000 0.427 390 H N 3.480 122.571 119.070 0.036 0.000 2.580 390 H HA 0.572 5.127 4.556 -0.001 0.000 0.324 390 H C 0.955 176.277 175.328 -0.009 0.000 1.436 390 H CA -0.371 55.737 56.048 0.100 0.000 1.464 390 H CB 0.916 30.698 29.762 0.033 0.000 1.752 390 H HN 0.799 nan 8.280 nan 0.000 0.726 391 A N 0.394 123.321 122.820 0.178 0.000 1.917 391 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 391 A C 2.120 179.598 177.584 -0.176 0.000 1.182 391 A CA 1.860 53.795 52.037 -0.170 0.000 0.633 391 A CB -0.759 18.334 19.000 0.154 0.000 0.819 391 A HN 0.819 nan 8.150 nan 0.000 0.448 392 E N -0.685 119.532 120.200 0.028 0.000 2.051 392 E HA -0.182 4.167 4.350 -0.001 0.000 0.192 392 E C 2.237 178.709 176.600 -0.214 0.000 0.991 392 E CA 0.877 57.270 56.400 -0.012 0.000 0.799 392 E CB -0.280 29.523 29.700 0.172 0.000 0.748 392 E HN 0.365 nan 8.360 nan 0.000 0.449 393 R N 0.529 120.739 120.500 -0.482 0.000 2.096 393 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 393 R C 2.134 178.224 176.300 -0.350 0.000 1.127 393 R CA 0.775 56.623 56.100 -0.420 0.000 0.968 393 R CB -1.015 28.958 30.300 -0.544 0.000 0.861 393 R HN 0.277 nan 8.270 nan 0.000 0.440 394 F N 1.865 121.400 119.950 -0.692 0.000 2.095 394 F HA -0.303 4.223 4.527 -0.001 0.000 0.298 394 F C 2.209 177.565 175.800 -0.740 0.000 1.104 394 F CA 1.673 59.124 58.000 -0.915 0.000 1.232 394 F CB -0.065 37.922 39.000 -1.688 0.000 0.987 394 F HN 0.048 nan 8.300 nan 0.000 0.475 395 D N 0.371 120.437 120.400 -0.557 0.000 2.104 395 D HA -0.216 4.423 4.640 -0.001 0.000 0.194 395 D C 2.186 178.336 176.300 -0.249 0.000 0.994 395 D CA 1.586 55.378 54.000 -0.347 0.000 0.830 395 D CB -0.392 40.394 40.800 -0.023 0.000 0.959 395 D HN 0.337 nan 8.370 nan 0.000 0.452 396 A N 0.525 123.225 122.820 -0.200 0.000 1.858 396 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 396 A C 2.188 179.676 177.584 -0.160 0.000 1.190 396 A CA 1.681 53.641 52.037 -0.128 0.000 0.617 396 A CB -0.698 18.244 19.000 -0.097 0.000 0.827 396 A HN 0.311 nan 8.150 nan 0.000 0.443 397 E N -0.859 119.204 120.200 -0.228 0.000 2.118 397 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 397 E C 1.903 178.342 176.600 -0.268 0.000 0.992 397 E CA 1.118 57.383 56.400 -0.226 0.000 0.804 397 E CB -0.215 29.340 29.700 -0.242 0.000 0.741 397 E HN 0.418 nan 8.360 nan 0.000 0.458 398 L N 0.569 121.551 121.223 -0.401 0.000 2.027 398 L HA -0.154 4.186 4.340 -0.001 0.000 0.206 398 L C 2.386 179.154 176.870 -0.169 0.000 1.074 398 L CA 1.832 56.448 54.840 -0.374 0.000 0.745 398 L CB -0.791 40.880 42.059 -0.646 0.000 0.898 398 L HN 0.078 nan 8.230 nan 0.000 0.433 399 T N -1.034 113.426 114.554 -0.156 0.000 2.708 399 T HA -0.244 4.105 4.350 -0.001 0.000 0.266 399 T C 1.969 176.549 174.700 -0.201 0.000 1.037 399 T CA 1.548 63.565 62.100 -0.139 0.000 1.146 399 T CB -0.255 68.552 68.868 -0.102 0.000 0.865 399 T HN 0.270 nan 8.240 nan 0.000 0.435 400 R N 1.284 121.700 120.500 -0.139 0.000 2.103 400 R HA -0.136 4.203 4.340 -0.001 0.000 0.242 400 R C 2.502 178.708 176.300 -0.156 0.000 1.142 400 R CA 1.719 57.754 56.100 -0.109 0.000 0.960 400 R CB -0.543 29.743 30.300 -0.023 0.000 0.858 400 R HN 0.370 nan 8.270 nan 0.000 0.439 401 A N 0.856 123.592 122.820 -0.140 0.000 1.902 401 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 401 A C 2.247 179.762 177.584 -0.116 0.000 1.181 401 A CA 1.512 53.475 52.037 -0.123 0.000 0.623 401 A CB -0.612 18.342 19.000 -0.078 0.000 0.818 401 A HN 0.455 nan 8.150 nan 0.000 0.443 402 R N -1.098 119.337 120.500 -0.110 0.000 2.096 402 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 402 R C 1.489 177.680 176.300 -0.181 0.000 1.127 402 R CA 1.622 57.659 56.100 -0.105 0.000 0.968 402 R CB -0.195 30.037 30.300 -0.112 0.000 0.861 402 R HN 0.404 nan 8.270 nan 0.000 0.440 403 M N 0.686 120.104 119.600 -0.303 0.000 2.618 403 M HA -0.013 4.466 4.480 -0.001 0.000 0.240 403 M C 1.576 177.697 176.300 -0.299 0.000 1.123 403 M CA 0.666 55.750 55.300 -0.360 0.000 1.060 403 M CB -0.105 32.109 32.600 -0.644 0.000 1.535 403 M HN 0.230 nan 8.290 nan 0.000 0.507 404 L N -0.977 120.023 121.223 -0.372 0.000 2.109 404 L HA -0.091 4.248 4.340 -0.001 0.000 0.207 404 L C 0.395 176.918 176.870 -0.579 0.000 1.086 404 L CA 1.036 55.532 54.840 -0.573 0.000 0.760 404 L CB -0.401 41.065 42.059 -0.989 0.000 0.910 404 L HN 0.176 nan 8.230 nan 0.000 0.437 405 Y N -2.148 118.120 120.300 -0.054 0.000 2.693 405 Y HA 0.515 5.064 4.550 -0.001 0.000 0.331 405 Y C -2.366 173.419 175.900 -0.193 0.000 1.092 405 Y CA -3.323 54.738 58.100 -0.065 0.000 1.131 405 Y CB -0.475 37.978 38.460 -0.011 0.000 1.318 405 Y HN -0.314 nan 8.280 nan 0.000 0.510 406 P HA 0.064 nan 4.420 nan 0.000 0.271 406 P C 0.412 177.519 177.300 -0.321 0.000 1.218 406 P CA -0.096 62.676 63.100 -0.547 0.000 0.780 406 P CB 0.652 31.855 31.700 -0.829 0.000 0.901 407 E N 1.703 121.788 120.200 -0.192 0.000 2.187 407 E HA -0.344 4.006 4.350 -0.001 0.000 0.199 407 E C 0.980 177.443 176.600 -0.229 0.000 1.004 407 E CA 1.483 57.811 56.400 -0.119 0.000 0.813 407 E CB -0.534 29.165 29.700 -0.002 0.000 0.736 407 E HN 0.382 nan 8.360 nan 0.000 0.468 408 Q N 0.795 120.366 119.800 -0.381 0.000 2.170 408 Q HA -0.059 4.280 4.340 -0.001 0.000 0.203 408 Q C 2.123 177.757 176.000 -0.611 0.000 0.976 408 Q CA 2.076 57.537 55.803 -0.571 0.000 0.858 408 Q CB -0.251 27.873 28.738 -1.023 0.000 0.907 408 Q HN 0.516 nan 8.270 nan 0.000 0.433 409 A N 0.147 122.620 122.820 -0.579 0.000 1.903 409 A HA 0.149 4.468 4.320 -0.001 0.000 0.213 409 A C 2.213 179.668 177.584 -0.215 0.000 1.185 409 A CA 1.061 52.894 52.037 -0.340 0.000 0.628 409 A CB -0.784 18.095 19.000 -0.201 0.000 0.830 409 A HN 0.341 nan 8.150 nan 0.000 0.446 410 A N -0.720 122.009 122.820 -0.151 0.000 2.024 410 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 410 A C 2.070 179.567 177.584 -0.146 0.000 1.164 410 A CA 2.047 54.027 52.037 -0.095 0.000 0.643 410 A CB -0.440 18.515 19.000 -0.076 0.000 0.806 410 A HN 0.555 nan 8.150 nan 0.000 0.451 411 Q N -0.893 118.801 119.800 -0.176 0.000 2.230 411 Q HA 0.040 4.379 4.340 -0.001 0.000 0.202 411 Q C 1.512 177.423 176.000 -0.148 0.000 0.963 411 Q CA 1.504 57.205 55.803 -0.171 0.000 0.866 411 Q CB -0.252 28.380 28.738 -0.178 0.000 0.931 411 Q HN 0.516 nan 8.270 nan 0.000 0.452 412 G N -1.178 107.538 108.800 -0.140 0.000 3.519 412 G HA2 0.245 4.204 3.960 -0.001 0.000 0.269 412 G HA3 0.245 4.204 3.960 -0.001 0.000 0.269 412 G C -0.347 174.548 174.900 -0.009 0.000 1.028 412 G CA -0.418 44.630 45.100 -0.086 0.000 0.809 412 G HN 0.139 nan 8.290 nan 0.000 0.521 413 L N 0.991 122.182 121.223 -0.053 0.000 2.490 413 L HA 0.160 4.499 4.340 -0.001 0.000 0.274 413 L C 0.006 176.944 176.870 0.114 0.000 1.201 413 L CA -0.734 54.089 54.840 -0.028 0.000 0.869 413 L CB 0.570 42.589 42.059 -0.067 0.000 1.123 413 L HN 0.137 nan 8.230 nan 0.000 0.484 414 W N 3.608 124.802 121.300 -0.177 0.000 2.481 414 W HA 0.157 4.816 4.660 -0.001 0.000 0.320 414 W C 0.082 176.468 176.519 -0.221 0.000 1.209 414 W CA -0.870 56.367 57.345 -0.181 0.000 1.400 414 W CB -0.365 29.003 29.460 -0.153 0.000 1.361 414 W HN 0.356 nan 8.180 nan 0.000 0.456 415 N N 5.374 123.946 118.700 -0.213 0.000 2.469 415 N HA 0.229 4.968 4.740 -0.001 0.000 0.239 415 N C -0.377 174.908 175.510 -0.376 0.000 1.053 415 N CA -0.257 52.420 53.050 -0.622 0.000 0.937 415 N CB 0.563 38.252 38.487 -1.330 0.000 1.163 415 N HN 0.379 nan 8.380 nan 0.000 0.509 416 L N -1.037 120.142 121.223 -0.074 0.000 2.334 416 L HA 0.582 4.921 4.340 -0.001 0.000 0.272 416 L C 0.441 177.436 176.870 0.208 0.000 1.020 416 L CA -0.850 54.038 54.840 0.080 0.000 0.812 416 L CB 1.473 43.635 42.059 0.171 0.000 1.264 416 L HN 0.220 nan 8.230 nan 0.000 0.439 417 L N 0.135 121.466 121.223 0.179 0.000 2.408 417 L HA 0.224 4.563 4.340 -0.001 0.000 0.215 417 L C -0.299 176.748 176.870 0.296 0.000 1.081 417 L CA 0.423 55.362 54.840 0.165 0.000 0.840 417 L CB 0.095 42.112 42.059 -0.070 0.000 1.002 417 L HN 0.950 nan 8.230 nan 0.000 0.468 418 D N -3.014 117.524 120.400 0.230 0.000 2.779 418 D HA 0.426 5.066 4.640 -0.001 0.000 0.331 418 D C -0.705 175.570 176.300 -0.042 0.000 1.331 418 D CA -0.499 53.599 54.000 0.163 0.000 0.866 418 D CB 1.579 42.513 40.800 0.222 0.000 1.409 418 D HN -0.168 nan 8.370 nan 0.000 0.486 419 S N -2.197 113.343 115.700 -0.268 0.000 2.672 419 S HA 0.314 4.784 4.470 -0.001 0.000 0.271 419 S C -0.018 174.229 174.600 -0.589 0.000 1.171 419 S CA -0.409 57.536 58.200 -0.425 0.000 0.817 419 S CB 0.379 63.590 63.200 0.019 0.000 1.150 419 S HN 0.738 nan 8.310 nan 0.000 0.478 420 H N 0.532 119.361 119.070 -0.402 0.000 2.567 420 H HA 0.182 4.738 4.556 -0.001 0.000 0.276 420 H C 0.066 175.396 175.328 0.005 0.000 1.016 420 H CA 1.377 57.415 56.048 -0.018 0.000 1.186 420 H CB -0.632 29.347 29.762 0.362 0.000 1.351 420 H HN 0.563 nan 8.280 nan 0.000 0.605 421 D N 0.459 120.701 120.400 -0.262 0.000 2.433 421 D HA 0.048 4.687 4.640 -0.001 0.000 0.211 421 D C 0.686 176.950 176.300 -0.060 0.000 1.114 421 D CA 0.624 54.508 54.000 -0.194 0.000 0.837 421 D CB 0.855 41.481 40.800 -0.290 0.000 0.984 421 D HN 0.496 nan 8.370 nan 0.000 0.505 422 T N -1.724 112.807 114.554 -0.038 0.000 2.926 422 T HA 0.476 4.825 4.350 -0.001 0.000 0.289 422 T C -0.090 174.631 174.700 0.035 0.000 1.054 422 T CA -1.069 61.049 62.100 0.031 0.000 1.015 422 T CB 2.031 70.954 68.868 0.092 0.000 1.167 422 T HN 0.052 nan 8.240 nan 0.000 0.526 423 E N 0.956 121.192 120.200 0.061 0.000 2.392 423 E HA 0.298 4.647 4.350 -0.001 0.000 0.256 423 E C -0.383 176.282 176.600 0.108 0.000 1.145 423 E CA -0.971 55.468 56.400 0.065 0.000 0.929 423 E CB 0.772 30.498 29.700 0.043 0.000 0.998 423 E HN 0.507 nan 8.360 nan 0.000 0.442 424 R N 0.520 121.091 120.500 0.118 0.000 2.543 424 R HA 0.051 4.390 4.340 -0.001 0.000 0.277 424 R C 0.627 177.061 176.300 0.224 0.000 1.074 424 R CA -0.260 55.956 56.100 0.193 0.000 1.076 424 R CB 0.229 30.609 30.300 0.132 0.000 0.993 424 R HN 0.596 nan 8.270 nan 0.000 0.459 425 F N 2.291 122.379 119.950 0.230 0.000 2.154 425 F HA -0.261 4.265 4.527 -0.001 0.000 0.301 425 F C 1.869 177.827 175.800 0.264 0.000 1.087 425 F CA 1.496 59.673 58.000 0.295 0.000 1.274 425 F CB -0.064 39.204 39.000 0.447 0.000 1.009 425 F HN 0.503 nan 8.300 nan 0.000 0.485 426 L N -0.153 121.207 121.223 0.228 0.000 2.042 426 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 426 L C 2.276 179.094 176.870 -0.087 0.000 1.076 426 L CA 2.428 57.209 54.840 -0.100 0.000 0.749 426 L CB -1.200 40.606 42.059 -0.422 0.000 0.893 426 L HN 0.121 nan 8.230 nan 0.000 0.432 427 T N -1.426 113.092 114.554 -0.060 0.000 2.821 427 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 427 T C 1.936 176.582 174.700 -0.089 0.000 1.046 427 T CA 1.434 63.495 62.100 -0.065 0.000 1.139 427 T CB -0.251 68.597 68.868 -0.035 0.000 0.871 427 T HN 0.368 nan 8.240 nan 0.000 0.454 428 S N 0.616 116.235 115.700 -0.134 0.000 2.442 428 S HA -0.082 4.387 4.470 -0.001 0.000 0.236 428 S C 1.969 176.443 174.600 -0.209 0.000 1.007 428 S CA 0.675 58.759 58.200 -0.194 0.000 0.965 428 S CB -0.408 62.598 63.200 -0.323 0.000 0.773 428 S HN 0.607 nan 8.310 nan 0.000 0.504 429 C N 1.101 120.281 119.300 -0.200 0.000 2.697 429 C HA 0.462 4.921 4.460 -0.001 0.000 0.267 429 C C 1.868 176.804 174.990 -0.090 0.000 1.278 429 C CA -0.470 58.470 59.018 -0.130 0.000 1.708 429 C CB -1.390 26.317 27.740 -0.055 0.000 1.860 429 C HN 0.674 nan 8.230 nan 0.000 0.589 430 G N 0.690 109.436 108.800 -0.089 0.000 2.249 430 G HA2 0.078 4.037 3.960 -0.001 0.000 0.273 430 G HA3 0.078 4.037 3.960 -0.001 0.000 0.273 430 G C 0.963 175.818 174.900 -0.076 0.000 1.036 430 G CA 0.546 45.602 45.100 -0.074 0.000 0.824 430 G HN 1.538 nan 8.290 nan 0.000 0.504 431 G N -0.980 107.768 108.800 -0.086 0.000 2.184 431 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.264 431 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.264 431 G C 0.371 175.215 174.900 -0.092 0.000 0.975 431 G CA 0.753 45.797 45.100 -0.094 0.000 0.642 431 G HN 1.442 nan 8.290 nan 0.000 0.536 432 N N 1.142 119.789 118.700 -0.087 0.000 2.406 432 N HA 0.139 4.878 4.740 -0.001 0.000 0.269 432 N C 1.247 176.718 175.510 -0.065 0.000 1.210 432 N CA 0.668 53.652 53.050 -0.111 0.000 0.966 432 N CB 0.472 38.866 38.487 -0.155 0.000 1.293 432 N HN 0.655 nan 8.380 nan 0.000 0.491 433 E N 3.216 123.379 120.200 -0.062 0.000 2.204 433 E HA -0.169 4.180 4.350 -0.001 0.000 0.195 433 E C 1.439 178.052 176.600 0.022 0.000 0.990 433 E CA 0.990 57.397 56.400 0.013 0.000 0.821 433 E CB 0.159 29.848 29.700 -0.018 0.000 0.750 433 E HN 0.701 nan 8.360 nan 0.000 0.477 434 A N 1.283 124.036 122.820 -0.112 0.000 1.902 434 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 434 A C 2.000 179.541 177.584 -0.072 0.000 1.181 434 A CA 1.562 53.501 52.037 -0.164 0.000 0.623 434 A CB -0.267 18.497 19.000 -0.392 0.000 0.818 434 A HN 0.141 nan 8.150 nan 0.000 0.443 435 K N -1.738 118.608 120.400 -0.090 0.000 2.103 435 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 435 K C 1.809 178.506 176.600 0.161 0.000 1.052 435 K CA 1.345 57.698 56.287 0.110 0.000 0.945 435 K CB -0.297 32.253 32.500 0.084 0.000 0.722 435 K HN 0.500 nan 8.250 nan 0.000 0.443 436 F N 2.368 122.357 119.950 0.065 0.000 2.075 436 F HA -0.149 4.378 4.527 -0.001 0.000 0.297 436 F C 2.196 178.053 175.800 0.096 0.000 1.113 436 F CA 1.412 59.523 58.000 0.186 0.000 1.218 436 F CB -0.029 39.081 39.000 0.183 0.000 0.984 436 F HN -0.172 nan 8.300 nan 0.000 0.472 437 R N 0.218 120.776 120.500 0.098 0.000 2.105 437 R HA -0.173 4.166 4.340 -0.001 0.000 0.239 437 R C 2.406 178.663 176.300 -0.071 0.000 1.135 437 R CA 1.680 57.738 56.100 -0.069 0.000 0.967 437 R CB -0.755 29.329 30.300 -0.359 0.000 0.861 437 R HN 0.392 nan 8.270 nan 0.000 0.442 438 L N 0.124 121.274 121.223 -0.121 0.000 2.083 438 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 438 L C 2.429 178.966 176.870 -0.555 0.000 1.083 438 L CA 1.300 56.017 54.840 -0.205 0.000 0.752 438 L CB -0.415 41.538 42.059 -0.177 0.000 0.899 438 L HN 0.294 nan 8.230 nan 0.000 0.433 439 A N -0.446 121.901 122.820 -0.788 0.000 1.898 439 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 439 A C 2.189 179.538 177.584 -0.393 0.000 1.181 439 A CA 1.730 53.209 52.037 -0.930 0.000 0.620 439 A CB -0.811 17.863 19.000 -0.544 0.000 0.819 439 A HN 0.383 nan 8.150 nan 0.000 0.442 440 V N -1.810 117.854 119.914 -0.418 0.000 2.515 440 V HA -0.146 3.973 4.120 -0.001 0.000 0.250 440 V C 2.244 178.214 176.094 -0.208 0.000 1.058 440 V CA 1.764 63.840 62.300 -0.374 0.000 1.064 440 V CB -0.948 30.509 31.823 -0.610 0.000 0.675 440 V HN 0.457 nan 8.190 nan 0.000 0.461 441 L N -0.833 120.352 121.223 -0.063 0.000 2.042 441 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 441 L C 2.434 179.399 176.870 0.159 0.000 1.076 441 L CA 2.537 57.399 54.840 0.036 0.000 0.749 441 L CB -0.372 41.802 42.059 0.192 0.000 0.893 441 L HN 0.428 nan 8.230 nan 0.000 0.432 442 F N 0.309 120.311 119.950 0.087 0.000 2.075 442 F HA -0.344 4.182 4.527 -0.001 0.000 0.297 442 F C 2.737 178.698 175.800 0.268 0.000 1.113 442 F CA 2.053 60.217 58.000 0.274 0.000 1.218 442 F CB -0.201 39.020 39.000 0.368 0.000 0.984 442 F HN 0.187 nan 8.300 nan 0.000 0.472 443 Q N -0.055 119.830 119.800 0.142 0.000 2.077 443 Q HA -0.264 4.075 4.340 -0.001 0.000 0.206 443 Q C 1.945 177.896 176.000 -0.082 0.000 0.989 443 Q CA 2.212 58.051 55.803 0.059 0.000 0.853 443 Q CB -0.155 28.608 28.738 0.042 0.000 0.907 443 Q HN 0.375 nan 8.270 nan 0.000 0.418 444 M N 0.056 119.590 119.600 -0.110 0.000 2.562 444 M HA -0.017 4.462 4.480 -0.001 0.000 0.257 444 M C 1.565 177.818 176.300 -0.077 0.000 1.099 444 M CA 1.430 56.644 55.300 -0.142 0.000 1.099 444 M CB -0.341 32.118 32.600 -0.236 0.000 1.427 444 M HN 0.399 nan 8.290 nan 0.000 0.489 445 T N -4.520 110.043 114.554 0.015 0.000 3.003 445 T HA 0.117 4.466 4.350 -0.001 0.000 0.261 445 T C 0.282 175.126 174.700 0.240 0.000 1.003 445 T CA -0.371 61.802 62.100 0.122 0.000 0.917 445 T CB -0.033 68.966 68.868 0.219 0.000 1.084 445 T HN 0.121 nan 8.240 nan 0.000 0.522 446 Y N 1.678 121.908 120.300 -0.117 0.000 2.408 446 Y HA 0.607 5.157 4.550 -0.001 0.000 0.324 446 Y C 0.040 175.850 175.900 -0.149 0.000 1.302 446 Y CA -2.433 55.523 58.100 -0.239 0.000 1.384 446 Y CB 0.606 38.575 38.460 -0.819 0.000 1.367 446 Y HN 0.111 nan 8.280 nan 0.000 0.525 447 L N 3.017 123.670 121.223 -0.951 0.000 2.410 447 L HA 0.495 4.835 4.340 -0.001 0.000 0.273 447 L C 0.122 176.743 176.870 -0.414 0.000 1.144 447 L CA 1.269 55.715 54.840 -0.656 0.000 0.863 447 L CB -0.460 41.139 42.059 -0.766 0.000 1.140 447 L HN 0.825 nan 8.230 nan 0.000 0.463 448 G N 2.527 111.176 108.800 -0.251 0.000 2.354 448 G HA2 0.182 4.141 3.960 -0.001 0.000 0.582 448 G HA3 0.182 4.141 3.960 -0.001 0.000 0.582 448 G C -0.664 174.134 174.900 -0.170 0.000 1.316 448 G CA -0.454 44.534 45.100 -0.187 0.000 0.995 448 G HN 1.033 nan 8.290 nan 0.000 0.573 449 T N -0.306 114.162 114.554 -0.144 0.000 2.749 449 T HA 0.706 5.056 4.350 -0.001 0.000 0.287 449 T C -2.654 171.897 174.700 -0.249 0.000 0.970 449 T CA -1.653 60.347 62.100 -0.167 0.000 0.980 449 T CB 1.926 70.711 68.868 -0.138 0.000 0.924 449 T HN 0.384 nan 8.240 nan 0.000 0.456 450 P HA 0.269 nan 4.420 nan 0.000 0.268 450 P C -0.990 176.171 177.300 -0.231 0.000 1.204 450 P CA -0.626 62.344 63.100 -0.217 0.000 0.768 450 P CB 0.388 31.995 31.700 -0.155 0.000 0.842 451 L N 5.634 126.742 121.223 -0.192 0.000 2.349 451 L HA 0.447 4.786 4.340 -0.001 0.000 0.278 451 L C -1.224 175.641 176.870 -0.009 0.000 0.996 451 L CA -0.534 54.203 54.840 -0.172 0.000 0.825 451 L CB 0.771 42.716 42.059 -0.189 0.000 1.243 451 L HN 0.170 nan 8.230 nan 0.000 0.412 452 I N 5.386 125.975 120.570 0.032 0.000 2.336 452 I HA 0.191 4.361 4.170 -0.001 0.000 0.292 452 I C -0.563 175.539 176.117 -0.026 0.000 0.991 452 I CA -0.617 60.748 61.300 0.110 0.000 1.227 452 I CB 0.902 39.057 38.000 0.259 0.000 1.366 452 I HN 0.547 nan 8.210 nan 0.000 0.466 453 Y N 8.355 128.601 120.300 -0.089 0.000 2.336 453 Y HA 0.188 4.738 4.550 -0.001 0.000 0.335 453 Y C 0.178 175.885 175.900 -0.322 0.000 1.046 453 Y CA -1.352 56.660 58.100 -0.147 0.000 1.198 453 Y CB 0.350 38.798 38.460 -0.020 0.000 1.182 453 Y HN 0.494 nan 8.280 nan 0.000 0.502 454 Y N 4.749 124.585 120.300 -0.775 0.000 2.916 454 Y HA 0.286 4.836 4.550 -0.001 0.000 0.344 454 Y C 1.019 176.714 175.900 -0.341 0.000 1.282 454 Y CA 0.296 58.041 58.100 -0.592 0.000 1.604 454 Y CB -0.137 38.135 38.460 -0.314 0.000 1.207 454 Y HN 0.923 nan 8.280 nan 0.000 0.561 455 G N 3.161 111.876 108.800 -0.142 0.000 2.254 455 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.225 455 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.225 455 G C 0.821 175.636 174.900 -0.140 0.000 1.003 455 G CA 0.225 45.198 45.100 -0.213 0.000 0.622 455 G HN 0.618 nan 8.290 nan 0.000 0.507 456 D N 1.258 121.597 120.400 -0.102 0.000 2.264 456 D HA 0.018 4.657 4.640 -0.001 0.000 0.208 456 D C 2.184 178.489 176.300 0.008 0.000 0.966 456 D CA 1.518 55.560 54.000 0.070 0.000 0.864 456 D CB 0.015 40.991 40.800 0.294 0.000 0.933 456 D HN 0.697 nan 8.370 nan 0.000 0.499 457 E N 0.547 120.648 120.200 -0.164 0.000 2.152 457 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 457 E C 2.008 178.622 176.600 0.022 0.000 0.983 457 E CA 0.550 56.694 56.400 -0.428 0.000 0.818 457 E CB -0.517 29.098 29.700 -0.142 0.000 0.758 457 E HN 0.496 nan 8.360 nan 0.000 0.467 458 I N -3.260 117.359 120.570 0.083 0.000 3.861 458 I HA 0.474 4.643 4.170 -0.001 0.000 0.329 458 I C 1.017 177.145 176.117 0.018 0.000 1.321 458 I CA 0.175 61.526 61.300 0.085 0.000 1.126 458 I CB 0.002 38.020 38.000 0.031 0.000 1.018 458 I HN 0.103 nan 8.210 nan 0.000 0.407 459 G N 1.725 110.519 108.800 -0.010 0.000 2.137 459 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.237 459 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.237 459 G C 0.132 174.943 174.900 -0.148 0.000 1.002 459 G CA -0.014 45.024 45.100 -0.104 0.000 0.702 459 G HN 0.414 nan 8.290 nan 0.000 0.515 460 M N 0.181 119.697 119.600 -0.140 0.000 2.245 460 M HA 0.471 4.950 4.480 -0.001 0.000 0.330 460 M C 0.779 176.991 176.300 -0.147 0.000 1.098 460 M CA 1.209 56.418 55.300 -0.151 0.000 1.172 460 M CB 0.909 33.393 32.600 -0.194 0.000 1.467 460 M HN 0.683 nan 8.290 nan 0.000 0.454 461 A N 1.089 123.835 122.820 -0.123 0.000 2.483 461 A HA 1.034 5.354 4.320 -0.001 0.000 0.286 461 A C -0.408 177.135 177.584 -0.069 0.000 1.207 461 A CA -0.123 51.855 52.037 -0.097 0.000 0.764 461 A CB 1.851 20.788 19.000 -0.106 0.000 1.341 461 A HN 0.975 nan 8.150 nan 0.000 0.428 462 G N -2.270 106.504 108.800 -0.043 0.000 2.350 462 G HA2 0.629 4.588 3.960 -0.001 0.000 0.304 462 G HA3 0.629 4.588 3.960 -0.001 0.000 0.304 462 G C -0.393 174.504 174.900 -0.005 0.000 1.421 462 G CA 0.202 45.286 45.100 -0.027 0.000 0.934 462 G HN 1.933 nan 8.290 nan 0.000 0.632 463 A N -0.327 122.492 122.820 -0.001 0.000 2.301 463 A HA 0.900 5.219 4.320 -0.001 0.000 0.287 463 A C 1.226 178.824 177.584 0.024 0.000 1.274 463 A CA 0.863 52.905 52.037 0.009 0.000 0.865 463 A CB 0.337 19.340 19.000 0.006 0.000 1.324 463 A HN 1.935 nan 8.150 nan 0.000 0.508 464 T N -0.863 113.708 114.554 0.029 0.000 2.667 464 T HA 0.168 4.517 4.350 -0.001 0.000 0.305 464 T C 0.222 174.947 174.700 0.043 0.000 1.022 464 T CA 0.033 62.156 62.100 0.037 0.000 0.995 464 T CB -0.135 68.757 68.868 0.039 0.000 1.026 464 T HN 0.624 nan 8.240 nan 0.000 0.527 465 D N 1.317 121.743 120.400 0.045 0.000 2.730 465 D HA 0.012 4.651 4.640 -0.001 0.000 0.225 465 D C -1.766 174.598 176.300 0.107 0.000 1.107 465 D CA -0.794 53.239 54.000 0.055 0.000 0.837 465 D CB 0.874 41.710 40.800 0.059 0.000 1.171 465 D HN 0.320 nan 8.370 nan 0.000 0.498 466 P HA 0.132 nan 4.420 nan 0.000 0.263 466 P C 0.201 177.500 177.300 -0.002 0.000 1.448 466 P CA -0.167 62.942 63.100 0.015 0.000 0.983 466 P CB 0.518 32.224 31.700 0.009 0.000 1.481 467 D N -0.282 120.127 120.400 0.015 0.000 2.348 467 D HA -0.099 4.540 4.640 -0.001 0.000 0.216 467 D C 1.212 177.509 176.300 -0.006 0.000 0.970 467 D CA 0.635 54.633 54.000 -0.003 0.000 0.889 467 D CB -0.235 40.567 40.800 0.003 0.000 0.912 467 D HN 0.210 nan 8.370 nan 0.000 0.524 468 C N -0.237 119.078 119.300 0.026 0.000 2.696 468 C HA 0.299 4.758 4.460 -0.001 0.000 0.264 468 C C 1.453 176.511 174.990 0.113 0.000 1.288 468 C CA -0.599 58.471 59.018 0.087 0.000 1.717 468 C CB -1.074 26.748 27.740 0.137 0.000 1.893 468 C HN 0.206 nan 8.230 nan 0.000 0.577 469 R N 0.684 121.194 120.500 0.017 0.000 2.791 469 R HA 0.375 4.715 4.340 -0.001 0.000 0.357 469 R C -0.240 176.001 176.300 -0.098 0.000 1.173 469 R CA -0.455 55.630 56.100 -0.025 0.000 1.060 469 R CB -0.375 29.730 30.300 -0.325 0.000 1.406 469 R HN 0.450 nan 8.270 nan 0.000 0.580 470 R N 2.427 122.857 120.500 -0.118 0.000 2.543 470 R HA 0.157 4.497 4.340 -0.001 0.000 0.277 470 R C -1.983 174.099 176.300 -0.363 0.000 1.074 470 R CA -1.689 54.250 56.100 -0.268 0.000 1.076 470 R CB 0.253 30.419 30.300 -0.223 0.000 0.993 470 R HN 0.177 nan 8.270 nan 0.000 0.459 471 P HA -0.155 nan 4.420 nan 0.000 0.264 471 P C -0.324 176.667 177.300 -0.516 0.000 1.179 471 P CA 0.001 62.442 63.100 -1.098 0.000 0.763 471 P CB 0.482 30.881 31.700 -2.168 0.000 0.806 472 M N 4.464 123.950 119.600 -0.190 0.000 2.269 472 M HA 0.080 4.559 4.480 -0.001 0.000 0.350 472 M C -0.301 175.789 176.300 -0.350 0.000 1.429 472 M CA 0.157 55.318 55.300 -0.232 0.000 1.063 472 M CB -1.070 31.256 32.600 -0.458 0.000 1.841 472 M HN 0.180 nan 8.290 nan 0.000 0.455 473 I N 6.678 127.019 120.570 -0.383 0.000 2.436 473 I HA -0.048 4.122 4.170 -0.001 0.000 0.289 473 I C -0.133 175.753 176.117 -0.385 0.000 1.083 473 I CA 0.491 61.644 61.300 -0.247 0.000 1.372 473 I CB 0.303 38.201 38.000 -0.170 0.000 1.408 473 I HN 0.888 nan 8.210 nan 0.000 0.516 474 W N 3.378 124.662 121.300 -0.027 0.000 3.103 474 W HA 0.178 4.837 4.660 -0.001 0.000 0.325 474 W C 0.548 177.002 176.519 -0.107 0.000 1.170 474 W CA -0.378 56.883 57.345 -0.140 0.000 1.712 474 W CB 0.569 29.903 29.460 -0.209 0.000 1.068 474 W HN 0.395 nan 8.180 nan 0.000 0.592 475 E N 2.002 122.284 120.200 0.136 0.000 2.070 475 E HA -0.035 4.314 4.350 -0.001 0.000 0.282 475 E C 1.048 177.675 176.600 0.044 0.000 1.104 475 E CA -0.098 56.348 56.400 0.077 0.000 0.876 475 E CB 0.708 30.444 29.700 0.061 0.000 1.055 475 E HN 0.095 nan 8.360 nan 0.000 0.401 476 E N 3.419 123.642 120.200 0.039 0.000 2.233 476 E HA -0.309 4.040 4.350 -0.001 0.000 0.199 476 E C 1.489 178.099 176.600 0.017 0.000 1.004 476 E CA 1.144 57.556 56.400 0.021 0.000 0.819 476 E CB -0.049 29.663 29.700 0.019 0.000 0.738 476 E HN 0.429 nan 8.360 nan 0.000 0.478 477 K N 1.013 121.424 120.400 0.019 0.000 2.063 477 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 477 K C 1.522 178.129 176.600 0.011 0.000 1.048 477 K CA 1.411 57.708 56.287 0.016 0.000 0.928 477 K CB 0.137 32.647 32.500 0.017 0.000 0.713 477 K HN 0.146 nan 8.250 nan 0.000 0.442 478 E N 0.453 120.658 120.200 0.008 0.000 2.474 478 E HA -0.000 4.349 4.350 -0.001 0.000 0.195 478 E C -0.142 176.450 176.600 -0.014 0.000 1.039 478 E CA 0.027 56.425 56.400 -0.004 0.000 0.881 478 E CB 0.431 30.127 29.700 -0.007 0.000 0.970 478 E HN 0.410 nan 8.360 nan 0.000 0.486 479 Q N 1.557 121.353 119.800 -0.008 0.000 2.259 479 Q HA 0.170 4.510 4.340 -0.001 0.000 0.249 479 Q C -0.003 176.007 176.000 0.017 0.000 0.914 479 Q CA -0.471 55.325 55.803 -0.011 0.000 0.904 479 Q CB 0.837 29.562 28.738 -0.022 0.000 1.213 479 Q HN -0.063 nan 8.270 nan 0.000 0.428 480 N N 2.575 121.293 118.700 0.030 0.000 2.549 480 N HA -0.017 4.722 4.740 -0.001 0.000 0.267 480 N C 0.488 176.070 175.510 0.120 0.000 1.182 480 N CA 0.142 53.228 53.050 0.060 0.000 1.019 480 N CB 0.292 38.811 38.487 0.054 0.000 1.380 480 N HN 0.446 nan 8.380 nan 0.000 0.505 481 R N 1.748 122.314 120.500 0.110 0.000 2.159 481 R HA -0.085 4.254 4.340 -0.001 0.000 0.237 481 R C 1.685 178.117 176.300 0.219 0.000 1.131 481 R CA 0.983 57.181 56.100 0.164 0.000 0.982 481 R CB -0.708 29.663 30.300 0.118 0.000 0.868 481 R HN 0.573 nan 8.270 nan 0.000 0.453 482 G N 0.989 109.890 108.800 0.168 0.000 2.446 482 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 482 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 482 G C 1.599 176.650 174.900 0.252 0.000 1.168 482 G CA 0.413 45.614 45.100 0.169 0.000 0.771 482 G HN 0.219 nan 8.290 nan 0.000 0.551 483 L N -0.985 120.415 121.223 0.296 0.000 2.027 483 L HA 0.056 4.395 4.340 -0.001 0.000 0.206 483 L C 2.568 179.746 176.870 0.512 0.000 1.074 483 L CA 0.993 56.108 54.840 0.458 0.000 0.745 483 L CB -0.571 41.752 42.059 0.439 0.000 0.898 483 L HN 0.240 nan 8.230 nan 0.000 0.433 484 F N 1.162 121.245 119.950 0.222 0.000 2.087 484 F HA -0.314 4.212 4.527 -0.001 0.000 0.299 484 F C 2.638 178.545 175.800 0.177 0.000 1.100 484 F CA 1.706 59.796 58.000 0.149 0.000 1.226 484 F CB 0.062 39.126 39.000 0.105 0.000 0.983 484 F HN 0.082 nan 8.300 nan 0.000 0.479 485 E N -0.235 120.110 120.200 0.241 0.000 2.152 485 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 485 E C 2.038 178.717 176.600 0.131 0.000 0.983 485 E CA 1.013 57.479 56.400 0.109 0.000 0.818 485 E CB -0.777 29.029 29.700 0.177 0.000 0.758 485 E HN 0.575 nan 8.360 nan 0.000 0.467 486 F N 0.286 120.300 119.950 0.105 0.000 2.075 486 F HA -0.296 4.230 4.527 -0.001 0.000 0.297 486 F C 2.157 177.986 175.800 0.049 0.000 1.113 486 F CA 1.316 59.368 58.000 0.087 0.000 1.218 486 F CB -0.204 38.882 39.000 0.143 0.000 0.984 486 F HN -0.035 nan 8.300 nan 0.000 0.472 487 Y N 1.132 121.359 120.300 -0.121 0.000 2.128 487 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 487 Y C 2.453 178.154 175.900 -0.331 0.000 1.154 487 Y CA 2.057 60.005 58.100 -0.254 0.000 1.149 487 Y CB -0.655 37.744 38.460 -0.101 0.000 0.976 487 Y HN -0.001 nan 8.280 nan 0.000 0.505 488 K N -0.093 120.195 120.400 -0.186 0.000 2.020 488 K HA -0.291 4.028 4.320 -0.001 0.000 0.212 488 K C 2.125 178.593 176.600 -0.221 0.000 1.050 488 K CA 1.974 58.100 56.287 -0.268 0.000 0.929 488 K CB -0.311 31.991 32.500 -0.329 0.000 0.714 488 K HN 0.370 nan 8.250 nan 0.000 0.443 489 E N 0.988 121.074 120.200 -0.190 0.000 2.058 489 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 489 E C 2.083 178.539 176.600 -0.241 0.000 0.997 489 E CA 1.038 57.335 56.400 -0.170 0.000 0.801 489 E CB -0.010 29.626 29.700 -0.107 0.000 0.746 489 E HN 0.210 nan 8.360 nan 0.000 0.450 490 L N 0.493 121.496 121.223 -0.366 0.000 1.989 490 L HA -0.223 4.116 4.340 -0.001 0.000 0.211 490 L C 2.601 179.268 176.870 -0.338 0.000 1.071 490 L CA 1.144 55.746 54.840 -0.395 0.000 0.749 490 L CB -0.394 41.308 42.059 -0.595 0.000 0.890 490 L HN 0.270 nan 8.230 nan 0.000 0.431 491 I N -0.575 119.788 120.570 -0.344 0.000 2.208 491 I HA -0.331 3.838 4.170 -0.001 0.000 0.245 491 I C 2.742 178.546 176.117 -0.521 0.000 1.097 491 I CA 1.270 62.323 61.300 -0.411 0.000 1.363 491 I CB -0.274 37.525 38.000 -0.334 0.000 1.051 491 I HN 0.185 nan 8.210 nan 0.000 0.413 492 R N 0.449 120.749 120.500 -0.332 0.000 2.105 492 R HA -0.142 4.198 4.340 -0.001 0.000 0.239 492 R C 2.267 178.450 176.300 -0.195 0.000 1.135 492 R CA 1.355 57.324 56.100 -0.219 0.000 0.967 492 R CB -0.272 29.949 30.300 -0.132 0.000 0.861 492 R HN 0.329 nan 8.270 nan 0.000 0.442 493 L N -0.419 120.678 121.223 -0.210 0.000 2.093 493 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 493 L C 2.623 179.377 176.870 -0.194 0.000 1.085 493 L CA 1.117 55.843 54.840 -0.191 0.000 0.755 493 L CB -0.299 41.657 42.059 -0.172 0.000 0.904 493 L HN 0.163 nan 8.230 nan 0.000 0.435 494 R N -0.621 119.742 120.500 -0.227 0.000 2.120 494 R HA -0.168 4.171 4.340 -0.001 0.000 0.234 494 R C 2.122 178.376 176.300 -0.077 0.000 1.123 494 R CA 1.467 57.457 56.100 -0.182 0.000 0.975 494 R CB -0.177 29.982 30.300 -0.234 0.000 0.866 494 R HN 0.515 nan 8.270 nan 0.000 0.446 495 H N -0.970 118.031 119.070 -0.115 0.000 2.436 495 H HA -0.030 4.525 4.556 -0.001 0.000 0.294 495 H C 1.748 177.008 175.328 -0.114 0.000 1.048 495 H CA 1.174 57.163 56.048 -0.099 0.000 1.353 495 H CB 0.242 29.953 29.762 -0.084 0.000 1.414 495 H HN 0.245 nan 8.280 nan 0.000 0.536 496 R N 0.613 121.096 120.500 -0.028 0.000 2.362 496 R HA 0.168 4.507 4.340 -0.001 0.000 0.227 496 R C -0.370 175.803 176.300 -0.212 0.000 0.905 496 R CA 0.055 56.089 56.100 -0.111 0.000 1.067 496 R CB 0.365 30.584 30.300 -0.134 0.000 1.078 496 R HN 0.133 nan 8.270 nan 0.000 0.516 497 L N 1.740 122.834 121.223 -0.215 0.000 2.337 497 L HA 0.452 4.791 4.340 -0.001 0.000 0.269 497 L C 1.001 177.774 176.870 -0.161 0.000 1.018 497 L CA -0.664 54.007 54.840 -0.281 0.000 0.876 497 L CB 1.790 43.647 42.059 -0.336 0.000 1.236 497 L HN 0.155 nan 8.230 nan 0.000 0.436 498 A N 1.870 124.613 122.820 -0.127 0.000 1.917 498 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 498 A C 2.316 179.852 177.584 -0.079 0.000 1.182 498 A CA 2.265 54.252 52.037 -0.083 0.000 0.633 498 A CB -0.423 18.538 19.000 -0.065 0.000 0.819 498 A HN 0.790 nan 8.150 nan 0.000 0.448 499 S N 0.455 116.106 115.700 -0.081 0.000 2.407 499 S HA -0.181 4.289 4.470 -0.001 0.000 0.235 499 S C 1.649 176.215 174.600 -0.057 0.000 1.036 499 S CA 1.678 59.837 58.200 -0.068 0.000 1.013 499 S CB -0.813 62.356 63.200 -0.051 0.000 0.820 499 S HN 0.501 nan 8.310 nan 0.000 0.476 500 L N 1.644 122.829 121.223 -0.063 0.000 2.465 500 L HA 0.019 4.359 4.340 -0.001 0.000 0.224 500 L C 2.460 179.293 176.870 -0.062 0.000 1.145 500 L CA 1.357 56.167 54.840 -0.049 0.000 0.834 500 L CB -0.854 41.168 42.059 -0.062 0.000 0.944 500 L HN 0.648 nan 8.230 nan 0.000 0.451 501 T N -5.370 109.143 114.554 -0.067 0.000 2.954 501 T HA 0.155 4.504 4.350 -0.001 0.000 0.252 501 T C 1.656 176.308 174.700 -0.080 0.000 0.983 501 T CA -0.338 61.720 62.100 -0.070 0.000 0.941 501 T CB 0.340 69.181 68.868 -0.045 0.000 1.141 501 T HN 0.158 nan 8.240 nan 0.000 0.500 502 R N 0.689 121.143 120.500 -0.076 0.000 2.531 502 R HA 0.406 4.745 4.340 -0.001 0.000 0.316 502 R C 1.147 177.398 176.300 -0.082 0.000 0.955 502 R CA -0.120 55.933 56.100 -0.079 0.000 1.120 502 R CB 0.971 31.232 30.300 -0.066 0.000 1.361 502 R HN 0.384 nan 8.270 nan 0.000 0.534 503 G N 1.071 109.822 108.800 -0.081 0.000 2.599 503 G HA2 0.118 4.077 3.960 -0.001 0.000 0.264 503 G HA3 0.118 4.077 3.960 -0.001 0.000 0.264 503 G C -0.199 174.652 174.900 -0.083 0.000 1.200 503 G CA -0.555 44.496 45.100 -0.081 0.000 0.896 503 G HN 0.230 nan 8.290 nan 0.000 0.536 504 N N -1.989 116.667 118.700 -0.073 0.000 2.431 504 N HA 0.509 5.248 4.740 -0.001 0.000 0.289 504 N C -0.798 174.690 175.510 -0.036 0.000 1.277 504 N CA -0.677 52.333 53.050 -0.067 0.000 0.972 504 N CB 0.987 39.442 38.487 -0.054 0.000 1.143 504 N HN 0.321 nan 8.380 nan 0.000 0.578 505 V N -0.783 119.116 119.914 -0.025 0.000 2.656 505 V HA 0.605 4.724 4.120 -0.001 0.000 0.307 505 V C -0.554 175.589 176.094 0.082 0.000 1.051 505 V CA -0.804 61.528 62.300 0.053 0.000 0.893 505 V CB 1.363 33.173 31.823 -0.022 0.000 0.999 505 V HN 0.604 nan 8.190 nan 0.000 0.426 506 R N 1.844 122.438 120.500 0.158 0.000 2.522 506 R HA 0.461 4.800 4.340 -0.001 0.000 0.283 506 R C -0.751 175.671 176.300 0.203 0.000 1.074 506 R CA -0.566 55.611 56.100 0.129 0.000 0.925 506 R CB 2.217 32.559 30.300 0.071 0.000 1.205 506 R HN 0.731 nan 8.270 nan 0.000 0.436 507 S N 1.985 117.796 115.700 0.184 0.000 2.549 507 S HA 0.023 4.492 4.470 -0.001 0.000 0.286 507 S C 0.412 175.150 174.600 0.229 0.000 1.314 507 S CA -0.268 58.050 58.200 0.197 0.000 1.062 507 S CB 0.640 63.934 63.200 0.156 0.000 0.865 507 S HN 0.645 nan 8.310 nan 0.000 0.498 508 W N 3.178 124.467 121.300 -0.018 0.000 2.798 508 W HA 0.250 4.909 4.660 -0.001 0.000 0.260 508 W C 0.489 177.041 176.519 0.054 0.000 1.165 508 W CA 0.808 58.148 57.345 -0.008 0.000 1.501 508 W CB 0.009 29.432 29.460 -0.062 0.000 1.023 508 W HN 0.758 nan 8.180 nan 0.000 0.615 509 H N -0.731 118.327 119.070 -0.020 0.000 3.140 509 H HA 0.466 5.021 4.556 -0.001 0.000 0.336 509 H C -1.795 173.484 175.328 -0.081 0.000 1.142 509 H CA 0.256 56.233 56.048 -0.118 0.000 1.308 509 H CB 1.423 30.985 29.762 -0.333 0.000 1.970 509 H HN -0.087 nan 8.280 nan 0.000 0.521 510 A N 4.338 126.839 122.820 -0.531 0.000 2.530 510 A HA 0.264 4.584 4.320 -0.001 0.000 0.279 510 A C -1.476 175.943 177.584 -0.275 0.000 1.109 510 A CA -0.692 51.249 52.037 -0.160 0.000 0.763 510 A CB 1.072 20.127 19.000 0.091 0.000 1.257 510 A HN 0.548 nan 8.150 nan 0.000 0.424 511 D N 2.467 122.794 120.400 -0.121 0.000 2.392 511 D HA 0.182 4.822 4.640 -0.001 0.000 0.228 511 D C 0.883 177.207 176.300 0.039 0.000 1.074 511 D CA -0.316 53.664 54.000 -0.033 0.000 0.838 511 D CB 1.563 42.430 40.800 0.112 0.000 1.067 511 D HN 0.604 nan 8.370 nan 0.000 0.511 512 K N 2.982 123.389 120.400 0.013 0.000 2.283 512 K HA -0.121 4.198 4.320 -0.001 0.000 0.202 512 K C 1.367 177.909 176.600 -0.095 0.000 1.048 512 K CA 1.033 57.299 56.287 -0.036 0.000 0.948 512 K CB 0.337 32.701 32.500 -0.227 0.000 0.742 512 K HN 0.464 nan 8.250 nan 0.000 0.458 513 Q N -0.489 119.275 119.800 -0.059 0.000 2.062 513 Q HA -0.014 4.326 4.340 -0.001 0.000 0.196 513 Q C 1.809 177.794 176.000 -0.026 0.000 0.967 513 Q CA 1.294 57.065 55.803 -0.054 0.000 0.832 513 Q CB 0.099 28.814 28.738 -0.039 0.000 0.899 513 Q HN 0.432 nan 8.270 nan 0.000 0.442 514 A N 0.542 123.365 122.820 0.005 0.000 2.218 514 A HA -0.029 4.291 4.320 -0.001 0.000 0.209 514 A C 0.646 178.241 177.584 0.018 0.000 1.168 514 A CA 0.513 52.554 52.037 0.008 0.000 0.804 514 A CB -0.125 18.890 19.000 0.024 0.000 0.834 514 A HN 0.572 nan 8.150 nan 0.000 0.482 515 N N -1.675 117.059 118.700 0.056 0.000 2.721 515 N HA -0.161 4.579 4.740 -0.001 0.000 0.249 515 N C -0.444 175.164 175.510 0.162 0.000 1.072 515 N CA 0.777 53.897 53.050 0.117 0.000 0.710 515 N CB -1.654 36.847 38.487 0.024 0.000 0.993 515 N HN 0.567 nan 8.380 nan 0.000 0.547 516 L N 0.899 122.222 121.223 0.167 0.000 2.307 516 L HA 0.546 4.885 4.340 -0.001 0.000 0.284 516 L C -0.625 176.423 176.870 0.298 0.000 1.023 516 L CA -0.963 53.993 54.840 0.193 0.000 0.810 516 L CB 0.782 42.910 42.059 0.114 0.000 1.231 516 L HN 0.232 nan 8.230 nan 0.000 0.423 517 Y N 4.525 124.936 120.300 0.186 0.000 2.462 517 Y HA 0.759 5.308 4.550 -0.001 0.000 0.346 517 Y C -0.794 175.254 175.900 0.246 0.000 0.976 517 Y CA -0.609 57.606 58.100 0.192 0.000 1.044 517 Y CB 1.903 40.472 38.460 0.182 0.000 1.230 517 Y HN 0.647 nan 8.280 nan 0.000 0.455 518 A N 5.531 128.100 122.820 -0.418 0.000 2.486 518 A HA 0.796 5.115 4.320 -0.001 0.000 0.300 518 A C -2.004 175.525 177.584 -0.091 0.000 1.048 518 A CA -0.520 51.397 52.037 -0.199 0.000 0.696 518 A CB 0.930 19.691 19.000 -0.398 0.000 1.278 518 A HN 0.843 nan 8.150 nan 0.000 0.405 519 F N -0.312 119.690 119.950 0.087 0.000 2.645 519 F HA 0.823 5.350 4.527 -0.001 0.000 0.310 519 F C -1.307 174.640 175.800 0.246 0.000 1.102 519 F CA -1.412 56.684 58.000 0.161 0.000 0.952 519 F CB 1.136 40.231 39.000 0.158 0.000 1.326 519 F HN 0.363 nan 8.300 nan 0.000 0.456 520 V N 2.538 122.496 119.914 0.074 0.000 2.604 520 V HA 0.649 4.769 4.120 -0.001 0.000 0.305 520 V C -0.562 175.550 176.094 0.029 0.000 1.043 520 V CA -0.874 61.353 62.300 -0.122 0.000 0.888 520 V CB 1.908 33.549 31.823 -0.302 0.000 0.995 520 V HN 0.762 nan 8.190 nan 0.000 0.429 521 R N 2.288 122.791 120.500 0.005 0.000 2.514 521 R HA 0.764 5.103 4.340 -0.001 0.000 0.301 521 R C -0.805 175.458 176.300 -0.062 0.000 0.962 521 R CA -0.458 55.654 56.100 0.020 0.000 0.882 521 R CB 1.947 32.273 30.300 0.043 0.000 1.143 521 R HN 0.751 nan 8.270 nan 0.000 0.452 522 T N 0.656 115.139 114.554 -0.118 0.000 2.893 522 T HA 0.512 4.862 4.350 -0.001 0.000 0.293 522 T C -0.779 173.807 174.700 -0.191 0.000 1.027 522 T CA -0.624 61.319 62.100 -0.262 0.000 0.988 522 T CB 2.303 70.931 68.868 -0.400 0.000 1.043 522 T HN 0.199 nan 8.240 nan 0.000 0.461 523 V N 3.861 123.656 119.914 -0.198 0.000 2.610 523 V HA 0.368 4.487 4.120 -0.001 0.000 0.298 523 V C -0.226 175.805 176.094 -0.104 0.000 1.067 523 V CA -0.719 61.509 62.300 -0.120 0.000 0.894 523 V CB 1.516 33.289 31.823 -0.083 0.000 1.015 523 V HN 0.956 nan 8.190 nan 0.000 0.432 524 Q N 2.746 122.500 119.800 -0.078 0.000 1.802 524 Q HA -0.281 4.059 4.340 -0.001 0.000 0.387 524 Q C 0.695 176.675 176.000 -0.034 0.000 0.822 524 Q CA 2.009 57.787 55.803 -0.041 0.000 0.840 524 Q CB -0.926 27.798 28.738 -0.022 0.000 3.553 524 Q HN 0.850 nan 8.270 nan 0.000 0.735 525 D N 1.210 121.615 120.400 0.008 0.000 2.340 525 D HA 0.042 4.682 4.640 -0.001 0.000 0.220 525 D C 0.414 176.785 176.300 0.118 0.000 1.039 525 D CA 0.449 54.489 54.000 0.066 0.000 0.866 525 D CB 0.174 41.002 40.800 0.047 0.000 0.913 525 D HN 0.205 nan 8.370 nan 0.000 0.523 526 Q N 0.285 120.114 119.800 0.048 0.000 2.243 526 Q HA 0.260 4.599 4.340 -0.001 0.000 0.252 526 Q C -1.057 174.948 176.000 0.008 0.000 0.909 526 Q CA -0.339 55.538 55.803 0.123 0.000 0.922 526 Q CB 0.760 29.569 28.738 0.118 0.000 1.215 526 Q HN 0.125 nan 8.270 nan 0.000 0.427 527 H N 0.460 119.617 119.070 0.144 0.000 2.717 527 H HA 0.484 5.039 4.556 -0.001 0.000 0.366 527 H C -1.232 174.285 175.328 0.315 0.000 1.132 527 H CA -0.616 55.542 56.048 0.184 0.000 1.180 527 H CB 2.035 31.954 29.762 0.263 0.000 1.678 527 H HN 0.396 nan 8.280 nan 0.000 0.537 528 V N 0.505 120.606 119.914 0.311 0.000 2.524 528 V HA 0.841 4.960 4.120 -0.001 0.000 0.297 528 V C 0.224 176.368 176.094 0.084 0.000 1.035 528 V CA -0.778 61.691 62.300 0.282 0.000 0.867 528 V CB 1.475 33.381 31.823 0.137 0.000 1.004 528 V HN 0.902 nan 8.190 nan 0.000 0.426 529 G N 3.157 111.995 108.800 0.065 0.000 2.332 529 G HA2 0.607 4.566 3.960 -0.001 0.000 0.310 529 G HA3 0.607 4.566 3.960 -0.001 0.000 0.310 529 G C -0.846 174.087 174.900 0.055 0.000 1.123 529 G CA -0.699 44.350 45.100 -0.085 0.000 0.873 529 G HN 1.011 nan 8.290 nan 0.000 0.460 530 V N 2.933 122.744 119.914 -0.171 0.000 2.357 530 V HA 0.339 4.459 4.120 -0.001 0.000 0.284 530 V C -0.148 175.959 176.094 0.021 0.000 1.018 530 V CA -0.682 61.533 62.300 -0.142 0.000 0.841 530 V CB 1.464 33.059 31.823 -0.380 0.000 0.991 530 V HN 0.521 nan 8.190 nan 0.000 0.437 531 V N 6.840 126.806 119.914 0.087 0.000 2.370 531 V HA 0.498 4.617 4.120 -0.001 0.000 0.283 531 V C -0.406 175.783 176.094 0.157 0.000 1.023 531 V CA -0.491 61.839 62.300 0.051 0.000 0.857 531 V CB 1.425 33.202 31.823 -0.076 0.000 0.985 531 V HN 0.657 nan 8.190 nan 0.000 0.443 532 L N 4.246 125.614 121.223 0.243 0.000 2.305 532 L HA 0.501 4.841 4.340 -0.001 0.000 0.284 532 L C 0.136 177.116 176.870 0.183 0.000 1.013 532 L CA -0.252 54.755 54.840 0.279 0.000 0.819 532 L CB 1.161 43.504 42.059 0.474 0.000 1.227 532 L HN 0.538 nan 8.230 nan 0.000 0.417 533 N N 1.991 120.744 118.700 0.089 0.000 2.918 533 N HA 0.069 4.808 4.740 -0.001 0.000 0.247 533 N C -0.078 175.355 175.510 -0.129 0.000 1.117 533 N CA 0.021 53.069 53.050 -0.003 0.000 1.005 533 N CB 0.144 38.617 38.487 -0.023 0.000 1.297 533 N HN 0.419 nan 8.380 nan 0.000 0.513 534 N N 2.570 121.193 118.700 -0.128 0.000 3.254 534 N HA 0.099 4.838 4.740 -0.001 0.000 0.308 534 N C -1.036 174.176 175.510 -0.497 0.000 1.281 534 N CA -0.007 52.827 53.050 -0.361 0.000 1.212 534 N CB -0.364 37.886 38.487 -0.395 0.000 1.478 534 N HN 0.436 nan 8.380 nan 0.000 0.548 535 R N -1.218 118.895 120.500 -0.645 0.000 2.561 535 R HA 0.388 4.727 4.340 -0.001 0.000 0.266 535 R C 0.294 176.308 176.300 -0.478 0.000 1.091 535 R CA -0.615 55.209 56.100 -0.459 0.000 0.927 535 R CB 0.689 30.866 30.300 -0.205 0.000 1.240 535 R HN 0.101 nan 8.270 nan 0.000 0.449 536 G N 2.326 111.038 108.800 -0.146 0.000 3.375 536 G HA2 0.161 4.120 3.960 -0.001 0.000 0.247 536 G HA3 0.161 4.120 3.960 -0.001 0.000 0.247 536 G C -0.642 174.318 174.900 0.099 0.000 1.343 536 G CA 0.175 45.420 45.100 0.242 0.000 1.368 536 G HN 0.539 nan 8.290 nan 0.000 0.549 537 E N -0.227 119.980 120.200 0.012 0.000 2.372 537 E HA 0.192 4.541 4.350 -0.001 0.000 0.279 537 E C -0.765 175.833 176.600 -0.004 0.000 0.946 537 E CA -0.916 55.492 56.400 0.012 0.000 0.769 537 E CB 2.057 31.756 29.700 -0.001 0.000 1.230 537 E HN 0.099 nan 8.360 nan 0.000 0.442 538 K N 2.329 122.733 120.400 0.008 0.000 2.416 538 K HA 0.125 4.444 4.320 -0.001 0.000 0.283 538 K C -0.173 176.422 176.600 -0.009 0.000 1.037 538 K CA 0.359 56.648 56.287 0.003 0.000 0.995 538 K CB 0.511 33.018 32.500 0.011 0.000 0.938 538 K HN 0.344 nan 8.250 nan 0.000 0.475 539 Q N 0.718 120.508 119.800 -0.017 0.000 2.496 539 Q HA 0.379 4.718 4.340 -0.001 0.000 0.286 539 Q C -0.911 175.072 176.000 -0.028 0.000 1.103 539 Q CA -0.889 54.900 55.803 -0.024 0.000 0.813 539 Q CB 2.596 31.316 28.738 -0.031 0.000 1.444 539 Q HN 0.415 nan 8.270 nan 0.000 0.443 540 T N 0.903 115.436 114.554 -0.035 0.000 2.892 540 T HA 0.376 4.725 4.350 -0.001 0.000 0.311 540 T C -1.157 173.499 174.700 -0.072 0.000 1.033 540 T CA -0.364 61.710 62.100 -0.044 0.000 0.991 540 T CB 1.050 69.899 68.868 -0.031 0.000 0.981 540 T HN 0.321 nan 8.240 nan 0.000 0.457 541 V N 5.223 125.071 119.914 -0.110 0.000 2.834 541 V HA 0.687 4.806 4.120 -0.001 0.000 0.313 541 V C -1.046 174.929 176.094 -0.197 0.000 1.060 541 V CA -0.946 61.244 62.300 -0.184 0.000 0.989 541 V CB 1.372 33.031 31.823 -0.273 0.000 1.041 541 V HN 0.783 nan 8.190 nan 0.000 0.459 542 L N 6.649 127.728 121.223 -0.239 0.000 2.345 542 L HA 0.520 4.859 4.340 -0.001 0.000 0.274 542 L C -0.628 176.078 176.870 -0.274 0.000 0.999 542 L CA -0.160 54.566 54.840 -0.190 0.000 0.849 542 L CB 1.371 43.360 42.059 -0.117 0.000 1.220 542 L HN 0.465 nan 8.230 nan 0.000 0.422 543 L N 2.356 123.419 121.223 -0.267 0.000 2.344 543 L HA 0.468 4.807 4.340 -0.001 0.000 0.272 543 L C -0.024 176.849 176.870 0.005 0.000 1.035 543 L CA -0.904 53.773 54.840 -0.272 0.000 0.807 543 L CB 1.437 43.175 42.059 -0.535 0.000 1.237 543 L HN 0.476 nan 8.230 nan 0.000 0.442 544 Q N 0.585 120.481 119.800 0.160 0.000 2.368 544 Q HA 0.363 4.702 4.340 -0.001 0.000 0.237 544 Q C -0.848 175.292 176.000 0.233 0.000 0.987 544 Q CA -0.243 55.673 55.803 0.189 0.000 0.896 544 Q CB 1.355 30.209 28.738 0.194 0.000 1.241 544 Q HN 0.306 nan 8.270 nan 0.000 0.485 545 V N 3.385 123.363 119.914 0.105 0.000 2.311 545 V HA 0.317 4.436 4.120 -0.001 0.000 0.275 545 V C -2.049 174.040 176.094 -0.009 0.000 1.022 545 V CA -1.755 60.570 62.300 0.041 0.000 0.830 545 V CB 0.675 32.546 31.823 0.080 0.000 1.012 545 V HN 0.718 nan 8.190 nan 0.000 0.452 546 P HA 0.007 nan 4.420 nan 0.000 0.268 546 P C 0.913 178.149 177.300 -0.107 0.000 1.189 546 P CA -0.039 62.963 63.100 -0.163 0.000 0.771 546 P CB 0.492 31.989 31.700 -0.338 0.000 0.822 547 E N 0.438 120.597 120.200 -0.069 0.000 2.477 547 E HA -0.302 4.047 4.350 -0.001 0.000 0.223 547 E C 1.458 177.981 176.600 -0.129 0.000 1.118 547 E CA 1.419 57.798 56.400 -0.035 0.000 0.875 547 E CB -0.834 28.913 29.700 0.079 0.000 0.758 547 E HN 0.355 nan 8.360 nan 0.000 0.491 548 S N 0.695 116.200 115.700 -0.325 0.000 2.630 548 S HA -0.184 4.285 4.470 -0.001 0.000 0.275 548 S C 1.373 175.866 174.600 -0.179 0.000 0.977 548 S CA 0.510 58.484 58.200 -0.377 0.000 0.974 548 S CB -1.466 61.693 63.200 -0.068 0.000 0.748 548 S HN 0.592 nan 8.310 nan 0.000 0.542 549 G N 0.674 109.414 108.800 -0.099 0.000 2.029 549 G HA2 0.150 4.109 3.960 -0.001 0.000 0.254 549 G HA3 0.150 4.109 3.960 -0.001 0.000 0.254 549 G C 0.377 175.226 174.900 -0.085 0.000 0.705 549 G CA 0.538 45.601 45.100 -0.061 0.000 0.866 549 G HN 1.103 nan 8.290 nan 0.000 0.420 550 G N -1.088 107.653 108.800 -0.098 0.000 2.498 550 G HA2 0.490 4.449 3.960 -0.001 0.000 0.301 550 G HA3 0.490 4.449 3.960 -0.001 0.000 0.301 550 G C -0.235 174.600 174.900 -0.107 0.000 1.577 550 G CA -0.762 44.255 45.100 -0.139 0.000 0.868 550 G HN 0.202 nan 8.290 nan 0.000 0.599 551 K N 0.160 120.516 120.400 -0.072 0.000 2.478 551 K HA 0.268 4.588 4.320 -0.001 0.000 0.205 551 K C 0.345 176.984 176.600 0.065 0.000 1.033 551 K CA 0.013 56.339 56.287 0.065 0.000 1.091 551 K CB 1.095 33.645 32.500 0.084 0.000 0.844 551 K HN 0.648 nan 8.250 nan 0.000 0.507 552 T N -2.106 112.342 114.554 -0.177 0.000 2.812 552 T HA 0.535 4.884 4.350 -0.001 0.000 0.282 552 T C -0.997 173.471 174.700 -0.387 0.000 0.990 552 T CA -0.745 61.282 62.100 -0.122 0.000 0.960 552 T CB 0.834 69.618 68.868 -0.139 0.000 0.948 552 T HN 0.059 nan 8.240 nan 0.000 0.438 553 W N 2.364 123.620 121.300 -0.073 0.000 2.736 553 W HA 0.728 5.388 4.660 -0.001 0.000 0.335 553 W C -0.852 175.632 176.519 -0.057 0.000 1.059 553 W CA -1.191 56.114 57.345 -0.066 0.000 1.226 553 W CB 1.955 31.414 29.460 -0.002 0.000 1.416 553 W HN 0.783 nan 8.180 nan 0.000 0.505 554 L N 2.944 124.254 121.223 0.146 0.000 2.365 554 L HA 0.486 4.825 4.340 -0.001 0.000 0.273 554 L C -0.474 176.519 176.870 0.204 0.000 1.000 554 L CA -0.483 54.428 54.840 0.117 0.000 0.819 554 L CB 1.327 43.405 42.059 0.031 0.000 1.284 554 L HN 0.265 nan 8.230 nan 0.000 0.418 555 D N 3.558 124.050 120.400 0.153 0.000 2.336 555 D HA 0.086 4.726 4.640 -0.001 0.000 0.249 555 D C 0.761 177.152 176.300 0.153 0.000 1.213 555 D CA -0.150 53.943 54.000 0.155 0.000 0.870 555 D CB 1.212 42.076 40.800 0.107 0.000 1.076 555 D HN 0.759 nan 8.370 nan 0.000 0.483 556 C N 3.669 123.076 119.300 0.178 0.000 2.430 556 C HA -0.050 4.410 4.460 -0.001 0.000 0.288 556 C C 2.459 177.506 174.990 0.094 0.000 1.448 556 C CA 0.136 59.240 59.018 0.144 0.000 1.784 556 C CB -0.996 26.810 27.740 0.110 0.000 1.776 556 C HN 0.662 nan 8.230 nan 0.000 0.547 557 L N -0.973 120.309 121.223 0.099 0.000 2.316 557 L HA 0.037 4.377 4.340 -0.001 0.000 0.207 557 L C 2.538 179.465 176.870 0.095 0.000 1.070 557 L CA 1.423 56.321 54.840 0.097 0.000 0.820 557 L CB -0.424 41.709 42.059 0.122 0.000 0.992 557 L HN 0.359 nan 8.230 nan 0.000 0.466 558 T N -1.940 112.667 114.554 0.088 0.000 3.393 558 T HA 0.482 4.831 4.350 -0.001 0.000 0.231 558 T C 0.380 175.117 174.700 0.061 0.000 0.983 558 T CA 0.519 62.663 62.100 0.072 0.000 1.272 558 T CB 0.776 69.683 68.868 0.066 0.000 1.214 558 T HN 0.303 nan 8.240 nan 0.000 0.368 559 G N 0.304 109.137 108.800 0.056 0.000 2.559 559 G HA2 0.500 4.459 3.960 -0.001 0.000 0.291 559 G HA3 0.500 4.459 3.960 -0.001 0.000 0.291 559 G C -1.570 173.348 174.900 0.030 0.000 1.424 559 G CA -0.646 44.479 45.100 0.043 0.000 0.786 559 G HN 0.463 nan 8.290 nan 0.000 0.485 560 E N -0.919 119.291 120.200 0.016 0.000 2.442 560 E HA 0.317 4.666 4.350 -0.001 0.000 0.260 560 E C -0.622 175.947 176.600 -0.051 0.000 1.148 560 E CA 0.401 56.799 56.400 -0.003 0.000 0.976 560 E CB 0.637 30.331 29.700 -0.010 0.000 0.967 560 E HN 0.327 nan 8.360 nan 0.000 0.454 561 E N 2.105 122.265 120.200 -0.068 0.000 3.711 561 E HA 0.080 4.429 4.350 -0.001 0.000 0.267 561 E C -1.027 175.508 176.600 -0.109 0.000 1.198 561 E CA -0.109 56.155 56.400 -0.227 0.000 1.150 561 E CB 0.815 30.378 29.700 -0.227 0.000 1.297 561 E HN 0.229 nan 8.360 nan 0.000 0.399 562 V N 2.826 122.733 119.914 -0.011 0.000 3.199 562 V HA -0.072 4.047 4.120 -0.001 0.000 0.327 562 V C 0.254 176.477 176.094 0.215 0.000 1.237 562 V CA 1.144 63.497 62.300 0.088 0.000 1.415 562 V CB -0.979 30.881 31.823 0.061 0.000 1.084 562 V HN 0.560 nan 8.190 nan 0.000 0.416 563 H N 1.193 120.316 119.070 0.088 0.000 2.669 563 H HA 0.226 4.781 4.556 -0.001 0.000 0.297 563 H C 1.382 176.759 175.328 0.081 0.000 1.071 563 H CA 0.003 56.091 56.048 0.067 0.000 1.182 563 H CB 0.150 29.943 29.762 0.051 0.000 1.343 563 H HN 0.621 nan 8.280 nan 0.000 0.582 564 G N 1.693 110.620 108.800 0.212 0.000 2.439 564 G HA2 0.155 4.114 3.960 -0.001 0.000 0.298 564 G HA3 0.155 4.114 3.960 -0.001 0.000 0.298 564 G C -0.302 174.659 174.900 0.102 0.000 1.044 564 G CA -0.293 44.908 45.100 0.169 0.000 1.168 564 G HN 0.274 nan 8.290 nan 0.000 0.433 565 K N 2.394 122.842 120.400 0.079 0.000 2.565 565 K HA 0.240 4.560 4.320 -0.001 0.000 0.249 565 K C 0.020 176.640 176.600 0.033 0.000 0.958 565 K CA -0.690 55.622 56.287 0.042 0.000 0.806 565 K CB 0.963 33.472 32.500 0.016 0.000 1.194 565 K HN 0.264 nan 8.250 nan 0.000 0.434 566 Q N 1.452 121.269 119.800 0.028 0.000 2.435 566 Q HA -0.231 4.108 4.340 -0.001 0.000 0.286 566 Q C 0.527 176.545 176.000 0.031 0.000 1.229 566 Q CA 1.639 57.457 55.803 0.024 0.000 0.884 566 Q CB -2.280 26.466 28.738 0.014 0.000 1.245 566 Q HN 1.208 nan 8.270 nan 0.000 0.488 567 G N -1.275 107.551 108.800 0.044 0.000 2.147 567 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.244 567 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.244 567 G C -0.072 174.858 174.900 0.050 0.000 1.005 567 G CA 0.568 45.699 45.100 0.050 0.000 0.713 567 G HN 0.342 nan 8.290 nan 0.000 0.515 568 Q N -1.247 118.580 119.800 0.045 0.000 2.387 568 Q HA 0.764 5.103 4.340 -0.001 0.000 0.273 568 Q C -1.102 174.924 176.000 0.042 0.000 1.089 568 Q CA -0.882 54.939 55.803 0.030 0.000 0.824 568 Q CB 2.278 31.021 28.738 0.008 0.000 1.367 568 Q HN 0.215 nan 8.270 nan 0.000 0.443 569 L N 1.858 123.094 121.223 0.020 0.000 2.404 569 L HA 0.372 4.712 4.340 -0.001 0.000 0.272 569 L C -0.744 176.131 176.870 0.009 0.000 0.980 569 L CA -0.120 54.743 54.840 0.038 0.000 0.836 569 L CB 1.727 43.789 42.059 0.005 0.000 1.238 569 L HN 0.392 nan 8.230 nan 0.000 0.408 570 K N 4.836 125.278 120.400 0.071 0.000 2.253 570 K HA 0.697 5.016 4.320 -0.001 0.000 0.277 570 K C -1.440 175.241 176.600 0.135 0.000 1.053 570 K CA -0.317 55.994 56.287 0.041 0.000 0.892 570 K CB 0.533 33.013 32.500 -0.032 0.000 1.102 570 K HN 0.552 nan 8.250 nan 0.000 0.469 571 L N 3.254 124.490 121.223 0.022 0.000 2.365 571 L HA 0.437 4.776 4.340 -0.001 0.000 0.273 571 L C -0.465 176.405 176.870 0.001 0.000 1.000 571 L CA -0.969 53.883 54.840 0.021 0.000 0.819 571 L CB 2.267 44.294 42.059 -0.054 0.000 1.284 571 L HN 0.566 nan 8.230 nan 0.000 0.418 572 T N 3.877 118.447 114.554 0.026 0.000 2.770 572 T HA 0.667 5.016 4.350 -0.001 0.000 0.283 572 T C -0.474 174.233 174.700 0.012 0.000 0.988 572 T CA -0.378 61.731 62.100 0.014 0.000 0.957 572 T CB 1.138 70.025 68.868 0.030 0.000 0.930 572 T HN 0.140 nan 8.240 nan 0.000 0.443 573 L N 3.187 124.410 121.223 0.001 0.000 2.346 573 L HA 0.565 4.904 4.340 -0.001 0.000 0.276 573 L C 0.654 177.533 176.870 0.014 0.000 1.006 573 L CA -0.724 54.121 54.840 0.008 0.000 0.817 573 L CB 1.471 43.531 42.059 0.000 0.000 1.272 573 L HN 0.405 nan 8.230 nan 0.000 0.421 574 R N 2.057 122.574 120.500 0.029 0.000 2.637 574 R HA 0.347 4.687 4.340 -0.001 0.000 0.269 574 R C -2.281 174.050 176.300 0.051 0.000 1.089 574 R CA -1.707 54.416 56.100 0.038 0.000 1.177 574 R CB 0.020 30.347 30.300 0.045 0.000 1.091 574 R HN 0.310 nan 8.270 nan 0.000 0.540 575 P HA -0.107 nan 4.420 nan 0.000 0.261 575 P C -1.029 176.425 177.300 0.257 0.000 1.183 575 P CA 0.714 63.898 63.100 0.140 0.000 0.761 575 P CB 0.060 31.888 31.700 0.213 0.000 0.785 576 Y N -0.616 119.684 120.300 -0.001 0.000 3.825 576 Y HA -0.269 4.280 4.550 -0.001 0.000 0.221 576 Y C 0.920 176.823 175.900 0.004 0.000 1.195 576 Y CA 0.730 58.829 58.100 -0.003 0.000 1.699 576 Y CB -2.251 36.196 38.460 -0.020 0.000 1.531 576 Y HN 0.464 nan 8.280 nan 0.000 0.640 577 Q N 0.727 120.590 119.800 0.104 0.000 2.259 577 Q HA 0.584 4.923 4.340 -0.001 0.000 0.246 577 Q C 0.587 176.646 176.000 0.098 0.000 0.920 577 Q CA 0.202 56.058 55.803 0.088 0.000 0.895 577 Q CB 1.409 30.187 28.738 0.066 0.000 1.220 577 Q HN 0.436 nan 8.270 nan 0.000 0.439 578 G N 2.800 111.672 108.800 0.119 0.000 2.448 578 G HA2 0.661 4.620 3.960 -0.001 0.000 0.324 578 G HA3 0.661 4.620 3.960 -0.001 0.000 0.324 578 G C -1.044 173.937 174.900 0.136 0.000 1.203 578 G CA -0.636 44.554 45.100 0.150 0.000 0.954 578 G HN 0.584 nan 8.290 nan 0.000 0.480 579 M N 1.465 121.143 119.600 0.131 0.000 2.327 579 M HA 0.428 4.908 4.480 -0.001 0.000 0.298 579 M C -1.030 175.345 176.300 0.126 0.000 1.065 579 M CA -0.426 54.943 55.300 0.115 0.000 0.916 579 M CB 2.839 35.488 32.600 0.082 0.000 1.630 579 M HN 0.247 nan 8.290 nan 0.000 0.442 580 I N 4.559 125.207 120.570 0.130 0.000 2.460 580 I HA 0.256 4.425 4.170 -0.001 0.000 0.277 580 I C -1.158 175.076 176.117 0.195 0.000 1.057 580 I CA -0.686 60.693 61.300 0.131 0.000 1.179 580 I CB 0.808 38.864 38.000 0.093 0.000 1.329 580 I HN 0.422 nan 8.210 nan 0.000 0.478 581 L N 5.888 127.256 121.223 0.242 0.000 2.261 581 L HA 0.265 4.604 4.340 -0.001 0.000 0.289 581 L C -0.520 176.709 176.870 0.597 0.000 1.059 581 L CA 0.037 55.110 54.840 0.387 0.000 0.816 581 L CB 0.230 42.495 42.059 0.343 0.000 1.191 581 L HN 0.465 nan 8.230 nan 0.000 0.431 582 W N 4.883 126.359 121.300 0.293 0.000 2.469 582 W HA 0.308 4.967 4.660 -0.001 0.000 0.320 582 W C 1.103 177.607 176.519 -0.025 0.000 1.086 582 W CA -1.101 56.345 57.345 0.168 0.000 1.211 582 W CB 0.842 30.335 29.460 0.055 0.000 1.298 582 W HN 0.701 nan 8.180 nan 0.000 0.525 583 N N 3.403 121.832 118.700 -0.451 0.000 2.515 583 N HA 0.041 4.781 4.740 -0.001 0.000 0.191 583 N C 1.245 176.076 175.510 -1.131 0.000 1.182 583 N CA 0.858 53.180 53.050 -1.213 0.000 0.879 583 N CB -0.302 37.406 38.487 -1.298 0.000 0.984 583 N HN 1.024 nan 8.380 nan 0.000 0.453 584 G N -0.225 107.418 108.800 -1.929 0.000 2.184 584 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.264 584 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.264 584 G C 0.259 174.585 174.900 -0.957 0.000 0.975 584 G CA 0.284 44.242 45.100 -1.903 0.000 0.642 584 G HN 0.427 nan 8.290 nan 0.000 0.536 585 R N 0.000 120.246 120.500 -0.423 0.000 2.786 585 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 585 R CA 0.000 56.118 56.100 0.031 0.000 0.921 585 R CB 0.000 30.284 30.300 -0.026 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535