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 1t8r_1_E DATA FIRST_RESID 8 DATA SEQUENCE LTPAQALDKL DALYEQSVVA LRNAIGNYIT SGELPDENAR KQGLFVYPSL DATA SEQUENCE TVTWDGSTTN PPKTRAFGRF THAGSYTTTI TRPTLFRSYL NEQLTLLYQD DATA SEQUENCE YGAHISVQPS QHEIPYPYVI DGSELTLDRS XSAGLTRYFP TTELAQXXXX DATA SEQUENCE XXXXXXXXXX FSPLSHFDAR RVDFSLARLR HYTGTPVEHF QPFVLFTNYT DATA SEQUENCE RYVDEFVRWG CSQILDPDSP YIALSCAGGN WITAETEAPE EAISDLAWKK DATA SEQUENCE HQXPAWHLIT ADGQGITLVN IGVGPSNAKT ICDHLAVLRP DVWLXIGHCG DATA SEQUENCE GLRESQAIGD YVLAHAYLRD DHVLDAVLPP DIPIPSIAEV QRALYDATKL DATA SEQUENCE VSGRPGEEVK QRLRTGTVVT TDDRNWELRY SASALRFNLS RAVAIDXESA DATA SEQUENCE TIAAQGYRFR VPYGTLLCVS DKPLHGEIKL PGQANRFYEG AISEHLQIGI DATA SEQUENCE RAIDLLRAEG DRLHSRKLRT FNEPPFR 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.819 176.870 -0.086 0.000 1.165 8 L CA 0.000 54.840 54.840 0.001 0.000 0.813 8 L CB 0.000 42.027 42.059 -0.053 0.000 0.961 9 T N 1.326 115.780 114.554 -0.166 0.000 2.927 9 T HA 0.625 4.975 4.350 -0.000 0.000 0.281 9 T C -2.212 172.265 174.700 -0.371 0.000 0.998 9 T CA -1.598 60.225 62.100 -0.462 0.000 1.019 9 T CB 1.542 70.225 68.868 -0.307 0.000 1.061 9 T HN 0.465 nan 8.240 nan 0.000 0.518 10 P HA -0.130 nan 4.420 nan 0.000 0.214 10 P C 1.761 178.978 177.300 -0.138 0.000 1.169 10 P CA 2.035 64.988 63.100 -0.246 0.000 0.908 10 P CB -0.382 31.183 31.700 -0.226 0.000 0.791 11 A N -0.643 122.106 122.820 -0.119 0.000 1.940 11 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 11 A C 2.224 179.781 177.584 -0.045 0.000 1.176 11 A CA 1.850 53.850 52.037 -0.061 0.000 0.631 11 A CB -1.336 17.638 19.000 -0.043 0.000 0.814 11 A HN 0.256 nan 8.150 nan 0.000 0.446 12 Q N -0.760 119.004 119.800 -0.060 0.000 2.046 12 Q HA -0.069 4.270 4.340 -0.000 0.000 0.200 12 Q C 2.499 178.485 176.000 -0.022 0.000 0.975 12 Q CA 1.300 57.083 55.803 -0.033 0.000 0.836 12 Q CB -0.404 28.313 28.738 -0.035 0.000 0.896 12 Q HN 0.671 nan 8.270 nan 0.000 0.428 13 A N 1.196 123.991 122.820 -0.042 0.000 1.908 13 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 13 A C 2.120 179.709 177.584 0.009 0.000 1.181 13 A CA 1.197 53.224 52.037 -0.018 0.000 0.627 13 A CB -0.769 18.212 19.000 -0.032 0.000 0.818 13 A HN 0.279 nan 8.150 nan 0.000 0.445 14 L N -0.528 120.694 121.223 -0.001 0.000 2.046 14 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 14 L C 2.126 179.016 176.870 0.035 0.000 1.077 14 L CA 1.551 56.403 54.840 0.019 0.000 0.747 14 L CB -0.717 41.345 42.059 0.006 0.000 0.896 14 L HN 0.344 nan 8.230 nan 0.000 0.432 15 D N -0.008 120.406 120.400 0.025 0.000 2.117 15 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 15 D C 2.104 178.433 176.300 0.049 0.000 0.982 15 D CA 1.167 55.188 54.000 0.035 0.000 0.828 15 D CB -0.026 40.789 40.800 0.024 0.000 0.967 15 D HN 0.238 nan 8.370 nan 0.000 0.464 16 K N 0.418 120.845 120.400 0.044 0.000 2.148 16 K HA -0.029 4.291 4.320 -0.000 0.000 0.204 16 K C 2.258 178.906 176.600 0.080 0.000 1.050 16 K CA 0.350 56.670 56.287 0.055 0.000 0.942 16 K CB 0.014 32.540 32.500 0.044 0.000 0.724 16 K HN 0.066 nan 8.250 nan 0.000 0.446 17 L N 0.812 122.085 121.223 0.083 0.000 2.027 17 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 17 L C 2.198 179.161 176.870 0.154 0.000 1.074 17 L CA 1.233 56.141 54.840 0.114 0.000 0.745 17 L CB -0.450 41.664 42.059 0.092 0.000 0.898 17 L HN 0.251 nan 8.230 nan 0.000 0.433 18 D N 0.019 120.496 120.400 0.129 0.000 2.104 18 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 18 D C 2.126 178.525 176.300 0.164 0.000 0.994 18 D CA 1.660 55.753 54.000 0.155 0.000 0.830 18 D CB 0.142 41.006 40.800 0.105 0.000 0.959 18 D HN 0.340 nan 8.370 nan 0.000 0.452 19 A N 0.930 123.820 122.820 0.116 0.000 1.845 19 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 19 A C 2.517 180.164 177.584 0.105 0.000 1.195 19 A CA 1.014 53.107 52.037 0.094 0.000 0.616 19 A CB -0.942 18.100 19.000 0.069 0.000 0.832 19 A HN 0.223 nan 8.150 nan 0.000 0.443 20 L N -2.113 119.183 121.223 0.122 0.000 2.042 20 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 20 L C 2.622 179.589 176.870 0.162 0.000 1.076 20 L CA 1.911 56.827 54.840 0.128 0.000 0.749 20 L CB -0.633 41.508 42.059 0.136 0.000 0.893 20 L HN 0.610 nan 8.230 nan 0.000 0.432 21 Y N 1.121 121.472 120.300 0.085 0.000 2.089 21 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 21 Y C 2.690 178.629 175.900 0.065 0.000 1.139 21 Y CA 1.667 59.822 58.100 0.091 0.000 1.123 21 Y CB -0.198 38.331 38.460 0.116 0.000 0.980 21 Y HN 0.112 nan 8.280 nan 0.000 0.493 22 E N 0.365 120.575 120.200 0.017 0.000 2.097 22 E HA -0.338 4.012 4.350 -0.000 0.000 0.196 22 E C 2.184 178.728 176.600 -0.094 0.000 1.000 22 E CA 1.724 58.074 56.400 -0.083 0.000 0.804 22 E CB -0.628 29.093 29.700 0.034 0.000 0.740 22 E HN 0.705 nan 8.360 nan 0.000 0.454 23 Q N 0.574 120.361 119.800 -0.023 0.000 2.077 23 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 23 Q C 2.231 178.224 176.000 -0.011 0.000 0.989 23 Q CA 2.106 57.908 55.803 -0.002 0.000 0.853 23 Q CB 0.020 28.776 28.738 0.029 0.000 0.907 23 Q HN 0.086 nan 8.270 nan 0.000 0.418 24 S N -0.117 115.563 115.700 -0.033 0.000 2.368 24 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 24 S C 1.895 176.450 174.600 -0.074 0.000 1.029 24 S CA 1.098 59.296 58.200 -0.003 0.000 0.988 24 S CB -0.386 62.808 63.200 -0.011 0.000 0.838 24 S HN 0.509 nan 8.310 nan 0.000 0.462 25 V N 1.698 121.457 119.914 -0.258 0.000 2.407 25 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 25 V C 1.927 177.933 176.094 -0.147 0.000 1.055 25 V CA 1.723 63.861 62.300 -0.268 0.000 1.049 25 V CB -0.550 31.013 31.823 -0.434 0.000 0.662 25 V HN 0.352 nan 8.190 nan 0.000 0.455 26 V N 0.895 120.747 119.914 -0.103 0.000 2.358 26 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 26 V C 3.028 179.120 176.094 -0.004 0.000 1.047 26 V CA 2.106 64.377 62.300 -0.048 0.000 1.035 26 V CB -1.329 30.479 31.823 -0.026 0.000 0.658 26 V HN 0.690 nan 8.190 nan 0.000 0.452 27 A N -0.515 122.336 122.820 0.052 0.000 1.883 27 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 27 A C 2.288 179.976 177.584 0.173 0.000 1.186 27 A CA 1.985 54.126 52.037 0.174 0.000 0.624 27 A CB -0.597 18.568 19.000 0.275 0.000 0.822 27 A HN 0.465 nan 8.150 nan 0.000 0.444 28 L N -1.120 120.076 121.223 -0.045 0.000 2.046 28 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 28 L C 2.889 179.580 176.870 -0.300 0.000 1.077 28 L CA 1.470 56.003 54.840 -0.510 0.000 0.747 28 L CB -0.328 41.422 42.059 -0.515 0.000 0.896 28 L HN 0.416 nan 8.230 nan 0.000 0.432 29 R N -0.423 119.978 120.500 -0.166 0.000 2.073 29 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 29 R C 1.984 178.229 176.300 -0.092 0.000 1.134 29 R CA 1.836 57.858 56.100 -0.131 0.000 0.952 29 R CB -0.326 29.922 30.300 -0.087 0.000 0.850 29 R HN 0.404 nan 8.270 nan 0.000 0.433 30 N N 0.617 119.298 118.700 -0.031 0.000 2.025 30 N HA -0.183 4.557 4.740 -0.000 0.000 0.194 30 N C 1.688 177.224 175.510 0.043 0.000 1.044 30 N CA 1.836 54.896 53.050 0.016 0.000 0.851 30 N CB -0.518 38.003 38.487 0.056 0.000 1.036 30 N HN 0.230 nan 8.380 nan 0.000 0.422 31 A N 0.790 123.675 122.820 0.108 0.000 1.927 31 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 31 A C 2.261 179.924 177.584 0.133 0.000 1.185 31 A CA 1.410 53.595 52.037 0.247 0.000 0.639 31 A CB -0.924 18.373 19.000 0.494 0.000 0.820 31 A HN 0.323 nan 8.150 nan 0.000 0.451 32 I N -0.728 119.726 120.570 -0.193 0.000 2.252 32 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 32 I C 2.719 178.748 176.117 -0.147 0.000 1.102 32 I CA 1.014 62.055 61.300 -0.431 0.000 1.385 32 I CB -0.736 36.957 38.000 -0.513 0.000 1.064 32 I HN 0.407 nan 8.210 nan 0.000 0.414 33 G N 1.256 110.006 108.800 -0.084 0.000 2.433 33 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 33 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 33 G C 1.410 176.308 174.900 -0.004 0.000 1.186 33 G CA 0.772 45.846 45.100 -0.043 0.000 0.779 33 G HN 0.303 nan 8.290 nan 0.000 0.543 34 N N -0.049 118.676 118.700 0.041 0.000 2.104 34 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 34 N C 1.863 177.417 175.510 0.074 0.000 1.024 34 N CA 1.329 54.415 53.050 0.061 0.000 0.853 34 N CB -0.656 37.890 38.487 0.099 0.000 1.008 34 N HN 0.481 nan 8.380 nan 0.000 0.424 35 Y N 1.499 121.831 120.300 0.053 0.000 2.224 35 Y HA -0.032 4.517 4.550 -0.000 0.000 0.289 35 Y C 2.129 178.035 175.900 0.010 0.000 1.146 35 Y CA 1.190 59.339 58.100 0.081 0.000 1.182 35 Y CB -0.263 38.329 38.460 0.220 0.000 0.983 35 Y HN -0.011 nan 8.280 nan 0.000 0.524 36 I N -0.523 119.991 120.570 -0.094 0.000 2.286 36 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 36 I C 2.462 178.487 176.117 -0.153 0.000 1.104 36 I CA 1.705 62.914 61.300 -0.152 0.000 1.397 36 I CB -0.704 37.254 38.000 -0.070 0.000 1.072 36 I HN 0.341 nan 8.210 nan 0.000 0.417 37 T N -2.032 112.461 114.554 -0.101 0.000 2.851 37 T HA -0.059 4.291 4.350 -0.000 0.000 0.262 37 T C 1.803 176.447 174.700 -0.093 0.000 1.043 37 T CA 1.395 63.447 62.100 -0.081 0.000 1.140 37 T CB -0.242 68.597 68.868 -0.048 0.000 0.872 37 T HN 0.426 nan 8.240 nan 0.000 0.446 38 S N -0.051 115.587 115.700 -0.103 0.000 2.891 38 S HA 0.597 5.067 4.470 -0.000 0.000 0.247 38 S C 1.781 176.292 174.600 -0.149 0.000 1.063 38 S CA 0.388 58.530 58.200 -0.097 0.000 0.857 38 S CB 0.180 63.349 63.200 -0.053 0.000 0.800 38 S HN 1.230 nan 8.310 nan 0.000 0.540 39 G N 1.171 109.859 108.800 -0.187 0.000 2.276 39 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.177 39 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.177 39 G C -0.340 174.542 174.900 -0.030 0.000 1.017 39 G CA -0.115 44.830 45.100 -0.259 0.000 0.750 39 G HN 0.612 nan 8.290 nan 0.000 0.506 40 E N 0.561 120.779 120.200 0.030 0.000 2.360 40 E HA 0.466 4.816 4.350 -0.000 0.000 0.269 40 E C -0.325 176.384 176.600 0.182 0.000 1.022 40 E CA -0.359 56.089 56.400 0.079 0.000 0.887 40 E CB 0.414 30.151 29.700 0.061 0.000 0.990 40 E HN 0.101 nan 8.360 nan 0.000 0.426 41 L N 5.856 127.115 121.223 0.061 0.000 2.334 41 L HA 0.459 4.799 4.340 -0.000 0.000 0.273 41 L C -2.097 174.757 176.870 -0.027 0.000 1.013 41 L CA -1.999 52.821 54.840 -0.034 0.000 0.816 41 L CB 1.024 42.934 42.059 -0.249 0.000 1.278 41 L HN 0.592 nan 8.230 nan 0.000 0.431 42 P HA 0.179 nan 4.420 nan 0.000 0.274 42 P C -1.355 175.902 177.300 -0.073 0.000 1.231 42 P CA -0.524 62.583 63.100 0.012 0.000 0.790 42 P CB 0.335 32.106 31.700 0.118 0.000 0.951 43 D N 1.884 122.239 120.400 -0.075 0.000 2.317 43 D HA -0.009 4.631 4.640 -0.000 0.000 0.252 43 D C 0.553 176.788 176.300 -0.109 0.000 1.174 43 D CA -0.320 53.630 54.000 -0.083 0.000 0.866 43 D CB 0.907 41.669 40.800 -0.064 0.000 1.127 43 D HN 0.220 nan 8.370 nan 0.000 0.467 44 E N 2.424 122.567 120.200 -0.094 0.000 2.284 44 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 44 E C 1.260 177.805 176.600 -0.092 0.000 1.008 44 E CA 0.855 57.201 56.400 -0.091 0.000 0.829 44 E CB -0.167 29.497 29.700 -0.060 0.000 0.744 44 E HN 0.647 nan 8.360 nan 0.000 0.491 45 N N 0.606 119.256 118.700 -0.083 0.000 2.135 45 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 45 N C 1.660 177.114 175.510 -0.094 0.000 1.027 45 N CA 1.599 54.604 53.050 -0.074 0.000 0.849 45 N CB -0.140 38.313 38.487 -0.056 0.000 1.002 45 N HN 0.111 nan 8.380 nan 0.000 0.425 46 A N 0.559 123.307 122.820 -0.120 0.000 1.969 46 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 46 A C 2.197 179.652 177.584 -0.215 0.000 1.169 46 A CA 1.023 52.972 52.037 -0.147 0.000 0.635 46 A CB -0.426 18.483 19.000 -0.152 0.000 0.810 46 A HN 0.326 nan 8.150 nan 0.000 0.445 47 R N -0.298 120.037 120.500 -0.275 0.000 2.073 47 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 47 R C 1.884 178.080 176.300 -0.172 0.000 1.134 47 R CA 1.307 57.210 56.100 -0.330 0.000 0.952 47 R CB -0.257 29.858 30.300 -0.309 0.000 0.850 47 R HN 0.232 nan 8.270 nan 0.000 0.433 48 K N 0.660 120.989 120.400 -0.118 0.000 2.286 48 K HA -0.197 4.123 4.320 -0.000 0.000 0.203 48 K C 1.870 178.432 176.600 -0.064 0.000 1.045 48 K CA 1.186 57.429 56.287 -0.073 0.000 0.935 48 K CB -0.036 32.429 32.500 -0.057 0.000 0.737 48 K HN 0.106 nan 8.250 nan 0.000 0.460 49 Q N -0.312 119.441 119.800 -0.079 0.000 2.425 49 Q HA 0.050 4.390 4.340 -0.000 0.000 0.204 49 Q C 0.340 176.310 176.000 -0.050 0.000 0.933 49 Q CA 0.796 56.565 55.803 -0.058 0.000 0.939 49 Q CB 0.453 29.155 28.738 -0.060 0.000 1.044 49 Q HN 0.417 nan 8.270 nan 0.000 0.513 50 G N -0.062 108.696 108.800 -0.069 0.000 2.226 50 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.176 50 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.176 50 G C 0.370 175.239 174.900 -0.051 0.000 1.042 50 G CA 0.238 45.316 45.100 -0.036 0.000 0.732 50 G HN 0.336 nan 8.290 nan 0.000 0.494 51 L N -0.782 120.341 121.223 -0.168 0.000 1.994 51 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 51 L C 1.957 178.838 176.870 0.018 0.000 1.071 51 L CA 1.762 56.469 54.840 -0.222 0.000 0.745 51 L CB -0.119 41.562 42.059 -0.630 0.000 0.892 51 L HN 0.450 nan 8.230 nan 0.000 0.431 52 F N -0.858 119.096 119.950 0.006 0.000 2.837 52 F HA 0.218 4.745 4.527 -0.000 0.000 0.298 52 F C 0.129 175.908 175.800 -0.035 0.000 1.161 52 F CA -0.812 57.181 58.000 -0.012 0.000 1.353 52 F CB 0.505 39.523 39.000 0.030 0.000 0.951 52 F HN -0.208 nan 8.300 nan 0.000 0.508 53 V N 0.425 120.421 119.914 0.136 0.000 2.532 53 V HA 0.210 4.330 4.120 -0.000 0.000 0.295 53 V C -0.092 176.084 176.094 0.138 0.000 1.041 53 V CA -0.944 61.430 62.300 0.123 0.000 0.926 53 V CB 1.292 33.183 31.823 0.113 0.000 0.992 53 V HN 0.131 nan 8.190 nan 0.000 0.457 54 Y N 5.324 125.756 120.300 0.220 0.000 2.397 54 Y HA 0.219 4.769 4.550 -0.000 0.000 0.335 54 Y C -1.773 174.243 175.900 0.193 0.000 1.213 54 Y CA -1.353 56.896 58.100 0.249 0.000 1.391 54 Y CB 0.230 38.830 38.460 0.232 0.000 1.293 54 Y HN 0.482 nan 8.280 nan 0.000 0.557 55 P HA 0.060 nan 4.420 nan 0.000 0.272 55 P C -0.958 176.459 177.300 0.194 0.000 1.240 55 P CA -0.293 62.949 63.100 0.236 0.000 0.791 55 P CB 0.825 32.655 31.700 0.217 0.000 0.978 56 S N 0.795 116.575 115.700 0.135 0.000 2.557 56 S HA 0.620 5.090 4.470 -0.000 0.000 0.291 56 S C -1.465 173.179 174.600 0.074 0.000 1.116 56 S CA -0.617 57.644 58.200 0.102 0.000 0.992 56 S CB 0.080 63.336 63.200 0.094 0.000 1.028 56 S HN 0.278 nan 8.310 nan 0.000 0.484 57 L N 4.678 125.934 121.223 0.054 0.000 2.313 57 L HA 0.758 5.098 4.340 -0.000 0.000 0.283 57 L C -0.697 176.192 176.870 0.031 0.000 1.013 57 L CA 0.349 55.216 54.840 0.045 0.000 0.816 57 L CB 1.717 43.809 42.059 0.054 0.000 1.236 57 L HN 0.721 nan 8.230 nan 0.000 0.419 58 T N 4.375 118.956 114.554 0.045 0.000 2.841 58 T HA 0.653 5.003 4.350 -0.000 0.000 0.285 58 T C -0.999 173.757 174.700 0.094 0.000 0.991 58 T CA -0.440 61.703 62.100 0.071 0.000 0.966 58 T CB 1.658 70.576 68.868 0.083 0.000 0.962 58 T HN 0.321 nan 8.240 nan 0.000 0.438 59 V N 3.479 123.490 119.914 0.161 0.000 2.487 59 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 59 V C -0.031 176.254 176.094 0.319 0.000 1.028 59 V CA -0.632 61.803 62.300 0.226 0.000 0.860 59 V CB 2.052 34.023 31.823 0.248 0.000 0.991 59 V HN 1.016 nan 8.190 nan 0.000 0.427 60 T N 3.740 118.470 114.554 0.293 0.000 2.856 60 T HA 0.538 4.888 4.350 -0.000 0.000 0.283 60 T C -1.448 173.391 174.700 0.231 0.000 1.008 60 T CA -0.408 61.853 62.100 0.269 0.000 0.997 60 T CB 1.708 70.729 68.868 0.255 0.000 0.992 60 T HN 0.667 nan 8.240 nan 0.000 0.454 61 W N 4.109 125.321 121.300 -0.147 0.000 2.715 61 W HA 0.351 5.011 4.660 -0.000 0.000 0.331 61 W C 0.626 177.064 176.519 -0.136 0.000 1.031 61 W CA -1.510 55.666 57.345 -0.283 0.000 1.237 61 W CB 1.179 30.109 29.460 -0.883 0.000 1.378 61 W HN 0.802 nan 8.180 nan 0.000 0.454 62 D N 2.515 122.652 120.400 -0.439 0.000 2.218 62 D HA -0.040 4.600 4.640 -0.000 0.000 0.204 62 D C 1.456 177.300 176.300 -0.760 0.000 0.976 62 D CA 1.463 55.183 54.000 -0.467 0.000 0.853 62 D CB -0.133 40.470 40.800 -0.329 0.000 0.939 62 D HN 0.887 nan 8.370 nan 0.000 0.481 63 G N 0.448 108.225 108.800 -1.706 0.000 2.159 63 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.227 63 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.227 63 G C 0.129 174.345 174.900 -1.140 0.000 0.986 63 G CA 0.267 44.286 45.100 -1.802 0.000 0.651 63 G HN 0.838 nan 8.290 nan 0.000 0.523 64 S N -0.378 114.823 115.700 -0.832 0.000 2.707 64 S HA 0.827 5.297 4.470 -0.000 0.000 0.303 64 S C -0.633 173.957 174.600 -0.018 0.000 1.132 64 S CA 0.098 58.138 58.200 -0.268 0.000 1.046 64 S CB 2.752 65.832 63.200 -0.199 0.000 1.004 64 S HN 0.740 nan 8.310 nan 0.000 0.483 65 T N 1.965 116.606 114.554 0.144 0.000 2.923 65 T HA 0.486 4.836 4.350 -0.000 0.000 0.311 65 T C 1.429 176.176 174.700 0.077 0.000 1.183 65 T CA -0.292 61.904 62.100 0.160 0.000 1.020 65 T CB 1.702 70.730 68.868 0.268 0.000 1.165 65 T HN 0.803 nan 8.240 nan 0.000 0.482 66 T N 1.012 115.584 114.554 0.029 0.000 2.380 66 T HA -0.195 4.155 4.350 -0.000 0.000 0.239 66 T C 0.734 175.437 174.700 0.005 0.000 1.367 66 T CA 1.582 63.686 62.100 0.007 0.000 1.235 66 T CB -0.602 68.259 68.868 -0.011 0.000 0.864 66 T HN 0.768 nan 8.240 nan 0.000 0.396 67 N N 2.132 120.818 118.700 -0.023 0.000 2.746 67 N HA 0.393 5.133 4.740 -0.000 0.000 0.250 67 N C -3.548 171.914 175.510 -0.080 0.000 1.146 67 N CA -1.657 51.375 53.050 -0.030 0.000 0.828 67 N CB 1.102 39.571 38.487 -0.031 0.000 1.158 67 N HN 0.255 nan 8.380 nan 0.000 0.519 68 P HA 0.226 nan 4.420 nan 0.000 0.268 68 P C -2.442 174.771 177.300 -0.146 0.000 1.204 68 P CA -0.560 62.410 63.100 -0.216 0.000 0.768 68 P CB -0.022 31.659 31.700 -0.032 0.000 0.842 69 P HA -0.026 nan 4.420 nan 0.000 0.257 69 P C 0.441 177.711 177.300 -0.050 0.000 1.189 69 P CA 0.520 63.553 63.100 -0.112 0.000 0.780 69 P CB 0.224 31.850 31.700 -0.123 0.000 0.772 70 K N 1.527 121.901 120.400 -0.044 0.000 2.358 70 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 70 K C 0.902 177.475 176.600 -0.045 0.000 1.025 70 K CA 0.510 56.782 56.287 -0.025 0.000 1.104 70 K CB 0.391 32.886 32.500 -0.008 0.000 0.855 70 K HN 0.317 nan 8.250 nan 0.000 0.531 71 T N -0.093 114.421 114.554 -0.067 0.000 2.978 71 T HA 0.094 4.444 4.350 -0.000 0.000 0.248 71 T C 0.804 175.437 174.700 -0.112 0.000 1.018 71 T CA -0.234 61.821 62.100 -0.075 0.000 1.026 71 T CB 0.690 69.519 68.868 -0.066 0.000 1.032 71 T HN 0.093 nan 8.240 nan 0.000 0.485 72 R N 1.435 121.840 120.500 -0.158 0.000 2.570 72 R HA 0.302 4.642 4.340 -0.000 0.000 0.277 72 R C 1.385 177.528 176.300 -0.261 0.000 1.039 72 R CA 0.243 56.181 56.100 -0.271 0.000 1.065 72 R CB 0.310 30.399 30.300 -0.352 0.000 0.964 72 R HN 0.223 nan 8.270 nan 0.000 0.428 73 A N 5.229 127.873 122.820 -0.293 0.000 1.968 73 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 73 A C 0.286 177.853 177.584 -0.028 0.000 1.169 73 A CA 0.989 52.964 52.037 -0.104 0.000 0.638 73 A CB -0.300 18.741 19.000 0.068 0.000 0.812 73 A HN 0.680 nan 8.150 nan 0.000 0.446 74 F N -4.999 114.925 119.950 -0.044 0.000 2.790 74 F HA 0.656 5.183 4.527 -0.000 0.000 0.337 74 F C 0.892 176.610 175.800 -0.137 0.000 1.163 74 F CA -1.270 56.685 58.000 -0.075 0.000 0.997 74 F CB 0.398 39.370 39.000 -0.047 0.000 1.437 74 F HN 0.407 nan 8.300 nan 0.000 0.512 75 G N 0.964 109.846 108.800 0.137 0.000 2.305 75 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.287 75 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.287 75 G C -0.123 174.590 174.900 -0.311 0.000 1.036 75 G CA 0.511 45.558 45.100 -0.088 0.000 0.887 75 G HN 0.876 nan 8.290 nan 0.000 0.505 76 R N -1.480 118.768 120.500 -0.419 0.000 2.892 76 R HA 0.766 5.106 4.340 -0.000 0.000 0.265 76 R C -1.005 174.793 176.300 -0.837 0.000 1.025 76 R CA -0.940 54.880 56.100 -0.467 0.000 0.982 76 R CB 0.901 31.084 30.300 -0.194 0.000 1.185 76 R HN 0.009 nan 8.270 nan 0.000 0.484 77 F N -0.228 119.300 119.950 -0.703 0.000 2.469 77 F HA 0.323 4.850 4.527 -0.000 0.000 0.332 77 F C 1.223 176.835 175.800 -0.313 0.000 1.103 77 F CA -0.345 57.219 58.000 -0.727 0.000 0.979 77 F CB 2.425 40.673 39.000 -1.253 0.000 1.137 77 F HN 0.506 nan 8.300 nan 0.000 0.463 78 T N 0.364 114.914 114.554 -0.007 0.000 2.976 78 T HA 0.016 4.366 4.350 -0.000 0.000 0.257 78 T C -0.312 174.541 174.700 0.254 0.000 1.051 78 T CA 1.103 63.256 62.100 0.088 0.000 1.141 78 T CB -0.228 68.697 68.868 0.095 0.000 0.881 78 T HN 0.717 nan 8.240 nan 0.000 0.461 79 H N -1.260 118.066 119.070 0.426 0.000 2.942 79 H HA 0.786 5.341 4.556 -0.000 0.000 0.316 79 H C -0.948 174.710 175.328 0.549 0.000 1.323 79 H CA -1.247 55.050 56.048 0.414 0.000 1.144 79 H CB 0.592 30.501 29.762 0.244 0.000 1.866 79 H HN 0.014 nan 8.280 nan 0.000 0.545 80 A N 0.021 123.169 122.820 0.547 0.000 2.302 80 A HA 0.812 5.132 4.320 -0.000 0.000 0.285 80 A C 0.713 178.491 177.584 0.323 0.000 1.105 80 A CA 0.276 52.506 52.037 0.320 0.000 0.816 80 A CB -0.190 18.737 19.000 -0.123 0.000 1.067 80 A HN 1.696 nan 8.150 nan 0.000 0.489 81 G N -0.580 108.342 108.800 0.203 0.000 2.350 81 G HA2 0.411 4.371 3.960 -0.000 0.000 0.282 81 G HA3 0.411 4.371 3.960 -0.000 0.000 0.282 81 G C -0.778 174.165 174.900 0.071 0.000 1.314 81 G CA -0.163 44.982 45.100 0.074 0.000 0.915 81 G HN 1.143 nan 8.290 nan 0.000 0.499 82 S N -0.424 115.257 115.700 -0.031 0.000 2.472 82 S HA 0.757 5.226 4.470 -0.000 0.000 0.303 82 S C -1.472 173.071 174.600 -0.096 0.000 1.099 82 S CA -0.286 57.951 58.200 0.062 0.000 1.077 82 S CB 1.068 64.329 63.200 0.101 0.000 1.031 82 S HN 0.477 nan 8.310 nan 0.000 0.487 83 Y N 0.904 121.281 120.300 0.130 0.000 2.350 83 Y HA 0.627 5.177 4.550 -0.000 0.000 0.338 83 Y C 0.634 176.533 175.900 -0.000 0.000 0.961 83 Y CA -0.636 57.505 58.100 0.069 0.000 1.100 83 Y CB 1.981 40.472 38.460 0.052 0.000 1.179 83 Y HN 0.546 nan 8.280 nan 0.000 0.454 84 T N 1.149 115.755 114.554 0.087 0.000 2.901 84 T HA 0.781 5.131 4.350 -0.000 0.000 0.293 84 T C -1.200 173.479 174.700 -0.035 0.000 1.084 84 T CA -0.399 61.715 62.100 0.023 0.000 1.008 84 T CB 1.842 70.733 68.868 0.037 0.000 1.170 84 T HN 0.695 nan 8.240 nan 0.000 0.509 85 T N 1.162 115.691 114.554 -0.041 0.000 2.977 85 T HA 0.512 4.862 4.350 -0.000 0.000 0.345 85 T C -0.770 173.917 174.700 -0.021 0.000 1.562 85 T CA -0.325 61.740 62.100 -0.060 0.000 1.090 85 T CB 1.019 69.804 68.868 -0.138 0.000 1.383 85 T HN 0.995 nan 8.240 nan 0.000 0.484 86 T N 2.920 117.461 114.554 -0.022 0.000 2.913 86 T HA 0.673 5.023 4.350 -0.000 0.000 0.297 86 T C 0.077 174.734 174.700 -0.072 0.000 1.029 86 T CA -0.765 61.332 62.100 -0.005 0.000 1.104 86 T CB 0.340 69.186 68.868 -0.038 0.000 0.964 86 T HN 0.463 nan 8.240 nan 0.000 0.532 87 I N 1.558 122.124 120.570 -0.006 0.000 2.569 87 I HA 0.525 4.695 4.170 -0.000 0.000 0.296 87 I C 0.399 176.511 176.117 -0.009 0.000 1.028 87 I CA -0.475 60.804 61.300 -0.035 0.000 1.082 87 I CB 1.979 39.993 38.000 0.024 0.000 1.264 87 I HN 0.862 nan 8.210 nan 0.000 0.429 88 T N 4.891 119.374 114.554 -0.117 0.000 2.906 88 T HA 0.418 4.768 4.350 -0.000 0.000 0.295 88 T C -0.263 174.260 174.700 -0.295 0.000 1.075 88 T CA -0.436 61.565 62.100 -0.166 0.000 1.005 88 T CB 0.917 69.811 68.868 0.043 0.000 1.136 88 T HN 0.615 nan 8.240 nan 0.000 0.498 89 R N 1.460 121.500 120.500 -0.766 0.000 3.158 89 R HA -0.133 4.207 4.340 -0.000 0.000 0.244 89 R C -2.340 173.931 176.300 -0.048 0.000 0.900 89 R CA 0.412 56.315 56.100 -0.329 0.000 0.618 89 R CB -2.072 28.222 30.300 -0.010 0.000 1.061 89 R HN 0.589 nan 8.270 nan 0.000 0.471 90 P HA -0.141 nan 4.420 nan 0.000 0.216 90 P C 1.360 178.705 177.300 0.075 0.000 1.153 90 P CA 1.335 64.463 63.100 0.045 0.000 0.858 90 P CB 0.146 31.866 31.700 0.033 0.000 0.789 91 T N 0.112 114.690 114.554 0.040 0.000 2.652 91 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 91 T C 1.675 176.360 174.700 -0.025 0.000 1.039 91 T CA 1.243 63.358 62.100 0.026 0.000 1.153 91 T CB -1.054 67.834 68.868 0.033 0.000 0.863 91 T HN 0.016 nan 8.240 nan 0.000 0.428 92 L N 0.361 121.526 121.223 -0.098 0.000 2.079 92 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 92 L C 1.275 177.906 176.870 -0.398 0.000 1.081 92 L CA 1.786 56.450 54.840 -0.293 0.000 0.752 92 L CB -0.669 41.102 42.059 -0.481 0.000 0.896 92 L HN 0.223 nan 8.230 nan 0.000 0.433 93 F N -1.249 118.689 119.950 -0.020 0.000 2.641 93 F HA 0.234 4.761 4.527 -0.000 0.000 0.302 93 F C 2.069 177.899 175.800 0.049 0.000 1.098 93 F CA -0.001 58.014 58.000 0.025 0.000 1.318 93 F CB -0.359 38.669 39.000 0.046 0.000 1.035 93 F HN 0.019 nan 8.300 nan 0.000 0.551 94 R N 0.925 121.499 120.500 0.124 0.000 2.136 94 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 94 R C 2.050 178.383 176.300 0.055 0.000 1.131 94 R CA 2.548 58.692 56.100 0.074 0.000 0.937 94 R CB -0.997 29.325 30.300 0.036 0.000 0.863 94 R HN 0.134 nan 8.270 nan 0.000 0.435 95 S N -0.537 115.195 115.700 0.053 0.000 2.351 95 S HA -0.208 4.262 4.470 -0.000 0.000 0.220 95 S C 1.642 176.252 174.600 0.015 0.000 1.035 95 S CA 1.427 59.645 58.200 0.030 0.000 1.031 95 S CB -0.840 62.382 63.200 0.037 0.000 0.928 95 S HN 0.514 nan 8.310 nan 0.000 0.433 96 Y N 2.396 122.672 120.300 -0.039 0.000 2.053 96 Y HA -0.195 4.355 4.550 -0.000 0.000 0.277 96 Y C 2.017 177.796 175.900 -0.202 0.000 1.159 96 Y CA 1.507 59.550 58.100 -0.096 0.000 1.125 96 Y CB -0.663 37.808 38.460 0.018 0.000 0.969 96 Y HN 0.140 nan 8.280 nan 0.000 0.492 97 L N 0.083 121.200 121.223 -0.177 0.000 2.083 97 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 97 L C 2.316 178.995 176.870 -0.318 0.000 1.083 97 L CA 1.711 56.358 54.840 -0.322 0.000 0.752 97 L CB -0.743 41.307 42.059 -0.016 0.000 0.899 97 L HN 0.331 nan 8.230 nan 0.000 0.433 98 N N 0.317 118.905 118.700 -0.186 0.000 2.062 98 N HA -0.258 4.481 4.740 -0.000 0.000 0.191 98 N C 1.854 177.244 175.510 -0.199 0.000 1.042 98 N CA 1.638 54.600 53.050 -0.147 0.000 0.845 98 N CB -0.099 38.341 38.487 -0.079 0.000 1.024 98 N HN 0.258 nan 8.380 nan 0.000 0.424 99 E N -0.445 119.620 120.200 -0.225 0.000 2.086 99 E HA -0.293 4.057 4.350 -0.000 0.000 0.200 99 E C 1.577 177.993 176.600 -0.307 0.000 1.012 99 E CA 1.334 57.600 56.400 -0.223 0.000 0.812 99 E CB -0.044 29.520 29.700 -0.227 0.000 0.743 99 E HN 0.452 nan 8.360 nan 0.000 0.453 100 Q N 0.355 119.806 119.800 -0.581 0.000 2.016 100 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 100 Q C 2.566 178.324 176.000 -0.403 0.000 0.978 100 Q CA 0.978 56.359 55.803 -0.704 0.000 0.833 100 Q CB -0.505 27.265 28.738 -1.614 0.000 0.895 100 Q HN 0.405 nan 8.270 nan 0.000 0.427 101 L N 0.442 121.463 121.223 -0.336 0.000 2.083 101 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 101 L C 2.416 179.285 176.870 -0.001 0.000 1.083 101 L CA 1.363 56.159 54.840 -0.072 0.000 0.752 101 L CB -0.671 41.353 42.059 -0.059 0.000 0.899 101 L HN 0.235 nan 8.230 nan 0.000 0.433 102 T N 0.254 114.781 114.554 -0.045 0.000 2.720 102 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 102 T C 1.954 176.713 174.700 0.098 0.000 1.037 102 T CA 1.275 63.402 62.100 0.045 0.000 1.144 102 T CB -0.239 68.629 68.868 -0.001 0.000 0.864 102 T HN 0.196 nan 8.240 nan 0.000 0.444 103 L N 0.331 121.570 121.223 0.027 0.000 2.017 103 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 103 L C 2.434 179.373 176.870 0.116 0.000 1.073 103 L CA 1.274 56.141 54.840 0.046 0.000 0.745 103 L CB -0.551 41.511 42.059 0.005 0.000 0.894 103 L HN 0.273 nan 8.230 nan 0.000 0.432 104 L N -2.181 119.100 121.223 0.097 0.000 2.217 104 L HA -0.209 4.130 4.340 -0.000 0.000 0.211 104 L C 2.524 179.592 176.870 0.329 0.000 1.107 104 L CA 0.767 55.708 54.840 0.169 0.000 0.783 104 L CB -0.599 41.496 42.059 0.061 0.000 0.919 104 L HN 0.194 nan 8.230 nan 0.000 0.442 105 Y N 1.102 121.484 120.300 0.137 0.000 2.133 105 Y HA -0.237 4.313 4.550 -0.000 0.000 0.287 105 Y C 2.677 178.660 175.900 0.139 0.000 1.134 105 Y CA 1.593 59.776 58.100 0.139 0.000 1.133 105 Y CB -0.200 38.312 38.460 0.085 0.000 0.987 105 Y HN 0.153 nan 8.280 nan 0.000 0.502 106 Q N -0.350 119.535 119.800 0.141 0.000 1.969 106 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 106 Q C 1.849 177.855 176.000 0.010 0.000 0.978 106 Q CA 1.420 57.230 55.803 0.012 0.000 0.830 106 Q CB -0.293 28.483 28.738 0.062 0.000 0.896 106 Q HN 0.461 nan 8.270 nan 0.000 0.431 107 D N -0.553 119.871 120.400 0.039 0.000 2.265 107 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 107 D C 0.895 177.077 176.300 -0.196 0.000 0.977 107 D CA 1.359 55.311 54.000 -0.079 0.000 0.871 107 D CB 0.171 40.916 40.800 -0.093 0.000 0.925 107 D HN 0.326 nan 8.370 nan 0.000 0.485 108 Y N -1.053 119.277 120.300 0.050 0.000 2.448 108 Y HA 0.269 4.819 4.550 -0.000 0.000 0.257 108 Y C 1.365 177.400 175.900 0.225 0.000 1.089 108 Y CA 0.063 58.244 58.100 0.135 0.000 1.245 108 Y CB 0.921 39.359 38.460 -0.037 0.000 1.282 108 Y HN -0.100 nan 8.280 nan 0.000 0.529 109 G N 1.758 110.690 108.800 0.220 0.000 2.351 109 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.297 109 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.297 109 G C 0.063 175.116 174.900 0.255 0.000 1.054 109 G CA 0.167 45.322 45.100 0.092 0.000 1.123 109 G HN 0.596 nan 8.290 nan 0.000 0.512 110 A N 0.239 123.259 122.820 0.333 0.000 2.304 110 A HA 0.687 5.007 4.320 -0.000 0.000 0.301 110 A C 0.213 178.032 177.584 0.392 0.000 1.132 110 A CA -0.309 51.961 52.037 0.388 0.000 0.819 110 A CB 0.621 19.861 19.000 0.400 0.000 1.094 110 A HN 1.194 nan 8.150 nan 0.000 0.492 111 H N 1.571 120.787 119.070 0.244 0.000 2.723 111 H HA 0.499 5.055 4.556 -0.000 0.000 0.294 111 H C -0.595 174.854 175.328 0.201 0.000 1.079 111 H CA -0.232 55.941 56.048 0.209 0.000 1.411 111 H CB -0.090 29.759 29.762 0.146 0.000 1.439 111 H HN 0.443 nan 8.280 nan 0.000 0.474 112 I N 4.617 125.081 120.570 -0.176 0.000 2.359 112 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 112 I C -0.212 175.715 176.117 -0.315 0.000 0.987 112 I CA -0.580 60.627 61.300 -0.155 0.000 1.225 112 I CB 1.358 39.328 38.000 -0.049 0.000 1.366 112 I HN 0.647 nan 8.210 nan 0.000 0.466 113 S N 5.383 120.977 115.700 -0.177 0.000 2.540 113 S HA 0.751 5.221 4.470 -0.000 0.000 0.275 113 S C -1.099 173.494 174.600 -0.012 0.000 1.123 113 S CA -0.684 57.451 58.200 -0.108 0.000 0.907 113 S CB 2.057 65.210 63.200 -0.079 0.000 1.081 113 S HN 0.272 nan 8.310 nan 0.000 0.476 114 V N 4.241 124.161 119.914 0.011 0.000 2.540 114 V HA 0.788 4.908 4.120 -0.000 0.000 0.302 114 V C -0.796 175.329 176.094 0.051 0.000 1.035 114 V CA -0.413 61.911 62.300 0.039 0.000 0.873 114 V CB 1.441 33.290 31.823 0.044 0.000 0.992 114 V HN 1.038 nan 8.190 nan 0.000 0.428 115 Q N 4.202 124.040 119.800 0.063 0.000 2.534 115 Q HA 0.576 4.916 4.340 -0.000 0.000 0.290 115 Q C -3.280 172.766 176.000 0.077 0.000 0.991 115 Q CA -2.389 53.452 55.803 0.064 0.000 0.783 115 Q CB 1.726 30.497 28.738 0.055 0.000 1.470 115 Q HN 0.342 nan 8.270 nan 0.000 0.406 116 P HA 0.064 nan 4.420 nan 0.000 0.268 116 P C -0.203 177.141 177.300 0.074 0.000 1.204 116 P CA 0.444 63.593 63.100 0.081 0.000 0.768 116 P CB 0.755 32.489 31.700 0.056 0.000 0.842 117 S N 2.595 118.358 115.700 0.105 0.000 2.646 117 S HA 0.209 4.679 4.470 -0.000 0.000 0.273 117 S C 0.716 175.318 174.600 0.003 0.000 1.168 117 S CA -0.276 57.971 58.200 0.077 0.000 1.013 117 S CB 0.520 63.826 63.200 0.176 0.000 1.098 117 S HN 0.299 nan 8.310 nan 0.000 0.544 118 Q N 0.022 119.734 119.800 -0.147 0.000 2.282 118 Q HA 0.243 4.583 4.340 -0.000 0.000 0.206 118 Q C -0.539 175.299 176.000 -0.270 0.000 0.878 118 Q CA 0.260 55.926 55.803 -0.227 0.000 0.944 118 Q CB -0.050 28.503 28.738 -0.307 0.000 1.100 118 Q HN 0.647 nan 8.270 nan 0.000 0.509 119 H N 0.872 120.035 119.070 0.155 0.000 2.488 119 H HA 0.339 4.895 4.556 -0.000 0.000 0.322 119 H C -0.082 175.418 175.328 0.288 0.000 1.078 119 H CA -0.139 56.039 56.048 0.218 0.000 1.260 119 H CB 1.051 30.956 29.762 0.238 0.000 1.425 119 H HN 0.050 nan 8.280 nan 0.000 0.471 120 E N 2.749 123.154 120.200 0.341 0.000 2.313 120 E HA 0.264 4.614 4.350 -0.000 0.000 0.272 120 E C 0.218 176.951 176.600 0.221 0.000 1.038 120 E CA -0.669 55.884 56.400 0.254 0.000 0.863 120 E CB 1.783 31.637 29.700 0.256 0.000 1.060 120 E HN 0.442 nan 8.360 nan 0.000 0.402 121 I N 4.025 124.566 120.570 -0.048 0.000 2.452 121 I HA 0.094 4.263 4.170 -0.000 0.000 0.287 121 I C -2.123 174.029 176.117 0.058 0.000 1.079 121 I CA -1.951 59.239 61.300 -0.183 0.000 1.387 121 I CB 0.241 37.977 38.000 -0.440 0.000 1.404 121 I HN 0.124 nan 8.210 nan 0.000 0.522 122 P HA -0.093 nan 4.420 nan 0.000 0.264 122 P C 0.280 177.457 177.300 -0.204 0.000 1.193 122 P CA 0.052 63.113 63.100 -0.064 0.000 0.763 122 P CB 0.228 31.803 31.700 -0.208 0.000 0.810 123 Y N 5.620 125.821 120.300 -0.166 0.000 2.241 123 Y HA -0.141 4.408 4.550 -0.000 0.000 0.286 123 Y C -1.164 174.595 175.900 -0.236 0.000 1.166 123 Y CA 1.320 59.287 58.100 -0.221 0.000 1.203 123 Y CB -2.856 35.447 38.460 -0.263 0.000 0.977 123 Y HN 0.351 nan 8.280 nan 0.000 0.529 124 P HA -0.125 nan 4.420 nan 0.000 0.222 124 P C 0.675 177.800 177.300 -0.291 0.000 1.147 124 P CA 1.529 64.263 63.100 -0.610 0.000 0.790 124 P CB -0.246 30.959 31.700 -0.825 0.000 0.780 125 Y N -1.314 118.927 120.300 -0.099 0.000 2.544 125 Y HA 0.011 4.561 4.550 -0.000 0.000 0.286 125 Y C 1.944 177.836 175.900 -0.013 0.000 1.141 125 Y CA -0.040 58.045 58.100 -0.024 0.000 1.299 125 Y CB -1.171 37.321 38.460 0.052 0.000 1.030 125 Y HN -0.099 nan 8.280 nan 0.000 0.543 126 V N -3.058 116.898 119.914 0.069 0.000 3.660 126 V HA 0.198 4.318 4.120 -0.000 0.000 0.276 126 V C 0.745 176.834 176.094 -0.009 0.000 1.317 126 V CA 0.053 62.358 62.300 0.008 0.000 1.097 126 V CB -0.403 31.379 31.823 -0.069 0.000 0.863 126 V HN 0.119 nan 8.190 nan 0.000 0.438 127 I N 2.546 123.117 120.570 0.003 0.000 2.270 127 I HA 0.127 4.297 4.170 -0.000 0.000 0.300 127 I C 1.511 177.627 176.117 -0.002 0.000 1.186 127 I CA 0.176 61.472 61.300 -0.006 0.000 1.431 127 I CB 0.217 38.221 38.000 0.006 0.000 1.485 127 I HN 0.220 nan 8.210 nan 0.000 0.650 128 D N 4.238 124.634 120.400 -0.006 0.000 2.127 128 D HA -0.163 4.477 4.640 -0.000 0.000 0.190 128 D C 1.724 178.018 176.300 -0.012 0.000 1.000 128 D CA 1.926 55.923 54.000 -0.006 0.000 0.839 128 D CB 0.172 40.965 40.800 -0.012 0.000 0.955 128 D HN 0.543 nan 8.370 nan 0.000 0.446 129 G N -0.795 107.996 108.800 -0.015 0.000 2.519 129 G HA2 0.150 4.110 3.960 -0.000 0.000 0.161 129 G HA3 0.150 4.110 3.960 -0.000 0.000 0.161 129 G C 0.378 175.271 174.900 -0.013 0.000 1.671 129 G CA 0.844 45.935 45.100 -0.015 0.000 1.028 129 G HN 0.476 nan 8.290 nan 0.000 0.486 130 S N -0.971 114.722 115.700 -0.012 0.000 2.671 130 S HA 0.494 4.964 4.470 -0.000 0.000 0.272 130 S C -0.062 174.530 174.600 -0.014 0.000 1.174 130 S CA -0.507 57.686 58.200 -0.011 0.000 1.004 130 S CB 1.258 64.454 63.200 -0.007 0.000 1.077 130 S HN 0.489 nan 8.310 nan 0.000 0.553 131 E N -0.140 120.050 120.200 -0.016 0.000 2.397 131 E HA 0.463 4.813 4.350 -0.000 0.000 0.254 131 E C -0.574 176.020 176.600 -0.009 0.000 1.231 131 E CA -0.233 56.157 56.400 -0.017 0.000 0.954 131 E CB 0.201 29.884 29.700 -0.028 0.000 1.024 131 E HN 0.486 nan 8.360 nan 0.000 0.481 132 L N 0.379 121.601 121.223 -0.001 0.000 2.360 132 L HA 0.371 4.711 4.340 -0.000 0.000 0.271 132 L C 0.488 177.357 176.870 -0.000 0.000 1.057 132 L CA -0.454 54.385 54.840 -0.002 0.000 0.803 132 L CB 1.317 43.377 42.059 0.002 0.000 1.207 132 L HN 0.630 nan 8.230 nan 0.000 0.445 133 T N -0.903 113.649 114.554 -0.004 0.000 3.266 133 T HA 0.354 4.704 4.350 -0.000 0.000 0.278 133 T C 0.087 174.788 174.700 0.000 0.000 1.010 133 T CA -0.546 61.553 62.100 -0.001 0.000 0.909 133 T CB -0.310 68.556 68.868 -0.004 0.000 1.122 133 T HN 0.071 nan 8.240 nan 0.000 0.536 134 L N 3.475 124.699 121.223 0.002 0.000 2.499 134 L HA 0.252 4.592 4.340 -0.000 0.000 0.281 134 L C 0.845 177.722 176.870 0.012 0.000 1.234 134 L CA 0.060 54.904 54.840 0.006 0.000 0.839 134 L CB -0.008 42.059 42.059 0.013 0.000 1.104 134 L HN 0.461 nan 8.230 nan 0.000 0.500 135 D N 0.237 120.645 120.400 0.013 0.000 2.369 135 D HA 0.117 4.757 4.640 -0.000 0.000 0.241 135 D C 0.982 177.297 176.300 0.026 0.000 1.271 135 D CA -0.326 53.683 54.000 0.015 0.000 0.942 135 D CB 0.485 41.292 40.800 0.012 0.000 1.129 135 D HN 0.358 nan 8.370 nan 0.000 0.476 136 R N 0.088 120.602 120.500 0.024 0.000 2.094 136 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 136 R C 1.405 177.729 176.300 0.041 0.000 1.137 136 R CA 1.262 57.379 56.100 0.028 0.000 0.943 136 R CB -0.661 29.653 30.300 0.022 0.000 0.850 136 R HN 0.533 nan 8.270 nan 0.000 0.433 140 A N 1.688 124.536 122.820 0.047 0.000 1.940 140 A HA 0.144 4.464 4.320 -0.000 0.000 0.219 140 A C 2.094 179.673 177.584 -0.009 0.000 1.176 140 A CA 2.332 54.380 52.037 0.019 0.000 0.631 140 A CB -1.351 17.663 19.000 0.023 0.000 0.814 140 A HN 0.614 nan 8.150 nan 0.000 0.446 141 G N -0.392 108.448 108.800 0.065 0.000 2.404 141 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 141 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 141 G C 1.578 176.424 174.900 -0.090 0.000 1.174 141 G CA 0.922 46.067 45.100 0.075 0.000 0.780 141 G HN 0.415 nan 8.290 nan 0.000 0.537 142 L N 1.053 122.215 121.223 -0.101 0.000 1.970 142 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 142 L C 3.407 180.275 176.870 -0.004 0.000 1.071 142 L CA 2.014 56.744 54.840 -0.183 0.000 0.751 142 L CB -0.900 40.887 42.059 -0.454 0.000 0.889 142 L HN 0.466 nan 8.230 nan 0.000 0.432 143 T N -2.783 111.800 114.554 0.047 0.000 2.977 143 T HA -0.252 4.098 4.350 -0.000 0.000 0.271 143 T C 1.876 176.571 174.700 -0.007 0.000 1.105 143 T CA 1.186 63.357 62.100 0.119 0.000 1.116 143 T CB -0.280 68.638 68.868 0.083 0.000 0.878 143 T HN 0.311 nan 8.240 nan 0.000 0.509 144 R N -0.789 119.618 120.500 -0.155 0.000 2.140 144 R HA 0.106 4.446 4.340 -0.000 0.000 0.213 144 R C 1.071 177.074 176.300 -0.495 0.000 1.059 144 R CA 0.611 56.481 56.100 -0.382 0.000 1.000 144 R CB 0.106 30.026 30.300 -0.632 0.000 0.910 144 R HN 0.497 nan 8.270 nan 0.000 0.455 145 Y N -1.529 118.689 120.300 -0.136 0.000 2.481 145 Y HA 0.330 4.880 4.550 -0.000 0.000 0.247 145 Y C -0.375 175.204 175.900 -0.535 0.000 1.151 145 Y CA -0.445 57.453 58.100 -0.336 0.000 1.238 145 Y CB 0.565 38.721 38.460 -0.506 0.000 1.179 145 Y HN -0.138 nan 8.280 nan 0.000 0.524 146 F N 0.061 120.016 119.950 0.008 0.000 2.598 146 F HA 0.569 5.096 4.527 -0.000 0.000 0.327 146 F C -2.274 173.600 175.800 0.123 0.000 1.057 146 F CA -3.108 54.917 58.000 0.041 0.000 0.957 146 F CB 0.830 39.754 39.000 -0.126 0.000 1.278 146 F HN -0.312 nan 8.300 nan 0.000 0.484 147 P HA 0.137 nan 4.420 nan 0.000 0.263 147 P C -0.855 176.570 177.300 0.208 0.000 1.195 147 P CA 0.075 63.322 63.100 0.245 0.000 0.762 147 P CB 0.362 32.201 31.700 0.233 0.000 0.799 148 T N -1.054 113.569 114.554 0.116 0.000 2.924 148 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 148 T C -0.111 174.577 174.700 -0.020 0.000 1.045 148 T CA -0.935 61.170 62.100 0.008 0.000 1.015 148 T CB 0.822 69.717 68.868 0.045 0.000 1.103 148 T HN 0.360 nan 8.240 nan 0.000 0.496 149 T N 0.006 114.503 114.554 -0.094 0.000 2.916 149 T HA 0.339 4.689 4.350 -0.000 0.000 0.303 149 T C -0.403 174.296 174.700 -0.000 0.000 1.025 149 T CA -0.555 61.528 62.100 -0.028 0.000 1.142 149 T CB -0.016 68.829 68.868 -0.039 0.000 0.947 149 T HN 0.737 nan 8.240 nan 0.000 0.544 150 E N 2.468 122.676 120.200 0.013 0.000 2.255 150 E HA 0.243 4.593 4.350 -0.000 0.000 0.256 150 E C 0.199 176.780 176.600 -0.031 0.000 0.887 150 E CA -0.791 55.610 56.400 0.001 0.000 0.782 150 E CB 1.538 31.250 29.700 0.021 0.000 1.214 150 E HN 0.315 nan 8.360 nan 0.000 0.417 151 L N 1.776 122.972 121.223 -0.045 0.000 2.189 151 L HA -0.135 4.205 4.340 -0.000 0.000 0.214 151 L C 1.256 178.087 176.870 -0.064 0.000 1.097 151 L CA 1.378 56.171 54.840 -0.078 0.000 0.764 151 L CB -0.977 41.050 42.059 -0.053 0.000 0.900 151 L HN 0.613 nan 8.230 nan 0.000 0.436 152 A N 1.021 123.820 122.820 -0.034 0.000 2.515 152 A HA 0.264 4.584 4.320 -0.000 0.000 0.276 152 A C 0.502 178.066 177.584 -0.034 0.000 1.104 152 A CA 0.487 52.510 52.037 -0.024 0.000 0.822 152 A CB -0.836 18.161 19.000 -0.006 0.000 1.016 152 A HN 0.577 nan 8.150 nan 0.000 0.530 169 S N 1.740 117.448 115.700 0.013 0.000 2.568 169 S HA 0.601 5.071 4.470 -0.000 0.000 0.302 169 S C -2.737 171.877 174.600 0.024 0.000 1.082 169 S CA -1.229 56.962 58.200 -0.014 0.000 1.009 169 S CB 2.095 65.230 63.200 -0.108 0.000 1.069 169 S HN -0.180 nan 8.310 nan 0.000 0.500 170 P HA 0.115 nan 4.420 nan 0.000 0.267 170 P C 0.380 177.693 177.300 0.021 0.000 1.205 170 P CA -0.268 62.829 63.100 -0.006 0.000 0.765 170 P CB 0.449 32.117 31.700 -0.053 0.000 0.828 171 L N 3.581 124.737 121.223 -0.110 0.000 2.209 171 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 171 L C 0.647 177.163 176.870 -0.590 0.000 1.094 171 L CA 1.560 56.198 54.840 -0.337 0.000 0.790 171 L CB -0.382 41.394 42.059 -0.472 0.000 0.932 171 L HN 0.431 nan 8.230 nan 0.000 0.447 172 S N -3.524 111.923 115.700 -0.423 0.000 2.732 172 S HA 0.349 4.819 4.470 -0.000 0.000 0.293 172 S C 0.795 175.179 174.600 -0.360 0.000 1.159 172 S CA -0.569 57.431 58.200 -0.333 0.000 0.847 172 S CB 0.377 63.524 63.200 -0.089 0.000 1.169 172 S HN 0.248 nan 8.310 nan 0.000 0.501 173 H N -0.462 118.466 119.070 -0.237 0.000 2.428 173 H HA 0.252 4.808 4.556 -0.000 0.000 0.296 173 H C -0.494 174.381 175.328 -0.755 0.000 1.062 173 H CA 1.075 56.788 56.048 -0.559 0.000 1.350 173 H CB -0.034 29.210 29.762 -0.864 0.000 1.403 173 H HN 0.449 nan 8.280 nan 0.000 0.533 174 F N 1.643 121.623 119.950 0.050 0.000 2.551 174 F HA 0.200 4.727 4.527 -0.000 0.000 0.316 174 F C 0.261 175.996 175.800 -0.109 0.000 1.089 174 F CA -1.535 56.445 58.000 -0.034 0.000 0.915 174 F CB 1.405 40.366 39.000 -0.065 0.000 1.186 174 F HN -0.037 nan 8.300 nan 0.000 0.456 175 D N 1.337 121.770 120.400 0.055 0.000 2.388 175 D HA 0.405 5.045 4.640 -0.000 0.000 0.254 175 D C 1.028 177.227 176.300 -0.169 0.000 1.111 175 D CA -0.345 53.603 54.000 -0.088 0.000 0.993 175 D CB 1.101 41.820 40.800 -0.135 0.000 1.118 175 D HN 0.567 nan 8.370 nan 0.000 0.502 176 A N 1.030 123.657 122.820 -0.322 0.000 1.903 176 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 176 A C 2.215 179.513 177.584 -0.476 0.000 1.191 176 A CA 1.677 53.379 52.037 -0.558 0.000 0.638 176 A CB -0.597 17.699 19.000 -1.174 0.000 0.823 176 A HN 0.639 nan 8.150 nan 0.000 0.451 177 R N -1.381 118.903 120.500 -0.359 0.000 2.081 177 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 177 R C 2.450 178.725 176.300 -0.042 0.000 1.131 177 R CA 1.530 57.572 56.100 -0.098 0.000 0.960 177 R CB -0.352 29.927 30.300 -0.034 0.000 0.856 177 R HN 0.484 nan 8.270 nan 0.000 0.436 178 R N 1.222 121.687 120.500 -0.058 0.000 2.091 178 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 178 R C 1.960 178.251 176.300 -0.014 0.000 1.136 178 R CA 1.515 57.619 56.100 0.007 0.000 0.959 178 R CB -0.810 29.533 30.300 0.071 0.000 0.856 178 R HN 0.050 nan 8.270 nan 0.000 0.437 179 V N 1.090 120.941 119.914 -0.105 0.000 2.307 179 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 179 V C 1.781 177.767 176.094 -0.180 0.000 1.045 179 V CA 2.180 64.383 62.300 -0.162 0.000 1.024 179 V CB -0.567 31.153 31.823 -0.172 0.000 0.651 179 V HN 0.317 nan 8.190 nan 0.000 0.449 180 D N -0.456 119.793 120.400 -0.251 0.000 2.144 180 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 180 D C 1.894 177.802 176.300 -0.653 0.000 0.984 180 D CA 1.207 54.880 54.000 -0.546 0.000 0.834 180 D CB -0.240 40.033 40.800 -0.879 0.000 0.955 180 D HN 0.442 nan 8.370 nan 0.000 0.465 181 F N 1.760 121.430 119.950 -0.466 0.000 2.069 181 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 181 F C 2.421 178.095 175.800 -0.210 0.000 1.113 181 F CA 1.491 59.384 58.000 -0.178 0.000 1.214 181 F CB -0.285 38.703 39.000 -0.020 0.000 0.978 181 F HN -0.171 nan 8.300 nan 0.000 0.474 182 S N 0.744 116.322 115.700 -0.203 0.000 2.406 182 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 182 S C 2.115 176.479 174.600 -0.393 0.000 1.020 182 S CA 1.130 59.140 58.200 -0.317 0.000 0.965 182 S CB -0.436 62.734 63.200 -0.050 0.000 0.798 182 S HN 0.369 nan 8.310 nan 0.000 0.488 183 L N 1.091 122.126 121.223 -0.313 0.000 2.046 183 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 183 L C 2.798 179.499 176.870 -0.283 0.000 1.077 183 L CA 1.244 55.916 54.840 -0.281 0.000 0.747 183 L CB -0.731 41.198 42.059 -0.216 0.000 0.896 183 L HN 0.324 nan 8.230 nan 0.000 0.432 184 A N -0.014 122.624 122.820 -0.302 0.000 1.902 184 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 184 A C 2.334 179.726 177.584 -0.320 0.000 1.181 184 A CA 1.560 53.458 52.037 -0.233 0.000 0.623 184 A CB -0.402 18.520 19.000 -0.130 0.000 0.818 184 A HN 0.219 nan 8.150 nan 0.000 0.443 185 R N -0.402 119.780 120.500 -0.531 0.000 2.073 185 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 185 R C 2.076 178.171 176.300 -0.342 0.000 1.134 185 R CA 1.199 56.910 56.100 -0.648 0.000 0.952 185 R CB -0.710 28.861 30.300 -1.215 0.000 0.850 185 R HN 0.560 nan 8.270 nan 0.000 0.433 186 L N -0.052 121.013 121.223 -0.263 0.000 2.012 186 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 186 L C 2.618 179.479 176.870 -0.015 0.000 1.073 186 L CA 1.801 56.588 54.840 -0.088 0.000 0.748 186 L CB -0.354 41.530 42.059 -0.292 0.000 0.891 186 L HN 0.236 nan 8.230 nan 0.000 0.431 187 R N -0.909 119.542 120.500 -0.081 0.000 2.073 187 R HA -0.265 4.075 4.340 -0.000 0.000 0.234 187 R C 2.442 178.731 176.300 -0.019 0.000 1.134 187 R CA 2.004 58.084 56.100 -0.033 0.000 0.952 187 R CB -0.373 29.891 30.300 -0.060 0.000 0.850 187 R HN 0.377 nan 8.270 nan 0.000 0.433 188 H N -0.669 118.304 119.070 -0.161 0.000 2.319 188 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 188 H C 1.482 176.787 175.328 -0.039 0.000 1.092 188 H CA 2.380 58.334 56.048 -0.158 0.000 1.302 188 H CB -0.362 29.186 29.762 -0.358 0.000 1.373 188 H HN 0.285 nan 8.280 nan 0.000 0.497 189 Y N -0.428 119.812 120.300 -0.101 0.000 2.242 189 Y HA -0.093 4.457 4.550 -0.000 0.000 0.291 189 Y C 2.896 178.743 175.900 -0.089 0.000 1.137 189 Y CA 1.660 59.692 58.100 -0.114 0.000 1.181 189 Y CB -0.672 37.782 38.460 -0.010 0.000 0.989 189 Y HN 0.258 nan 8.280 nan 0.000 0.527 190 T N -1.715 112.883 114.554 0.073 0.000 3.035 190 T HA 0.144 4.494 4.350 -0.000 0.000 0.259 190 T C 1.517 175.944 174.700 -0.455 0.000 1.078 190 T CA 0.981 63.036 62.100 -0.074 0.000 1.132 190 T CB -0.608 68.373 68.868 0.187 0.000 0.900 190 T HN 0.544 nan 8.240 nan 0.000 0.480 191 G N 1.795 110.242 108.800 -0.588 0.000 2.221 191 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.265 191 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.265 191 G C 0.183 174.791 174.900 -0.486 0.000 1.041 191 G CA 0.492 44.958 45.100 -1.056 0.000 0.807 191 G HN 0.551 nan 8.290 nan 0.000 0.502 192 T N 0.030 114.459 114.554 -0.207 0.000 2.894 192 T HA 0.584 4.934 4.350 -0.000 0.000 0.309 192 T C -2.957 171.763 174.700 0.033 0.000 1.208 192 T CA -0.908 61.163 62.100 -0.049 0.000 1.016 192 T CB 2.958 71.844 68.868 0.030 0.000 1.192 192 T HN -0.020 nan 8.240 nan 0.000 0.491 193 P HA 0.153 nan 4.420 nan 0.000 0.276 193 P C 1.243 178.493 177.300 -0.083 0.000 1.230 193 P CA -0.522 62.454 63.100 -0.207 0.000 0.776 193 P CB 0.552 31.922 31.700 -0.550 0.000 0.888 194 V N 1.037 120.919 119.914 -0.054 0.000 2.867 194 V HA -0.222 3.897 4.120 -0.000 0.000 0.260 194 V C 1.297 177.370 176.094 -0.035 0.000 1.099 194 V CA 1.617 63.896 62.300 -0.035 0.000 1.122 194 V CB -1.374 30.296 31.823 -0.256 0.000 0.708 194 V HN 0.324 nan 8.190 nan 0.000 0.490 195 E N 0.345 120.451 120.200 -0.156 0.000 2.268 195 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 195 E C 1.910 178.539 176.600 0.048 0.000 0.995 195 E CA 1.569 57.902 56.400 -0.113 0.000 0.836 195 E CB -0.587 29.033 29.700 -0.133 0.000 0.763 195 E HN 0.881 nan 8.360 nan 0.000 0.491 196 H N -1.411 117.628 119.070 -0.052 0.000 2.551 196 H HA 0.128 4.684 4.556 -0.000 0.000 0.266 196 H C -0.163 174.881 175.328 -0.474 0.000 0.964 196 H CA -0.759 55.188 56.048 -0.170 0.000 1.180 196 H CB 0.113 29.790 29.762 -0.142 0.000 1.408 196 H HN 0.060 nan 8.280 nan 0.000 0.563 197 F N 2.777 122.466 119.950 -0.435 0.000 2.578 197 F HA -0.049 4.478 4.527 -0.000 0.000 0.376 197 F C 0.751 176.512 175.800 -0.066 0.000 1.085 197 F CA -0.019 57.782 58.000 -0.331 0.000 1.260 197 F CB 0.546 39.447 39.000 -0.165 0.000 1.095 197 F HN 0.140 nan 8.300 nan 0.000 0.573 198 Q N 5.412 125.314 119.800 0.170 0.000 2.205 198 Q HA 0.242 4.581 4.340 -0.000 0.000 0.249 198 Q C -1.617 174.466 176.000 0.139 0.000 0.948 198 Q CA -2.035 53.880 55.803 0.188 0.000 0.895 198 Q CB 0.792 29.692 28.738 0.271 0.000 1.249 198 Q HN 0.283 nan 8.270 nan 0.000 0.458 199 P HA -0.066 nan 4.420 nan 0.000 0.220 199 P C -0.450 176.550 177.300 -0.499 0.000 1.148 199 P CA 1.156 64.084 63.100 -0.287 0.000 0.803 199 P CB 0.187 31.592 31.700 -0.491 0.000 0.782 200 F N -0.601 119.424 119.950 0.125 0.000 2.361 200 F HA 0.279 4.806 4.527 -0.000 0.000 0.364 200 F C 0.298 176.140 175.800 0.070 0.000 1.117 200 F CA -1.067 56.992 58.000 0.100 0.000 1.071 200 F CB 0.778 39.843 39.000 0.109 0.000 1.188 200 F HN -0.399 nan 8.300 nan 0.000 0.464 201 V N 4.743 124.732 119.914 0.124 0.000 2.547 201 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 201 V C -0.540 175.441 176.094 -0.188 0.000 1.040 201 V CA -0.769 61.500 62.300 -0.052 0.000 0.913 201 V CB 1.974 33.717 31.823 -0.133 0.000 0.992 201 V HN 0.421 nan 8.190 nan 0.000 0.449 202 L N 4.130 125.159 121.223 -0.324 0.000 2.385 202 L HA 0.647 4.987 4.340 -0.000 0.000 0.273 202 L C -0.998 175.651 176.870 -0.368 0.000 0.990 202 L CA -0.093 54.565 54.840 -0.303 0.000 0.821 202 L CB 1.595 43.499 42.059 -0.258 0.000 1.279 202 L HN 0.424 nan 8.230 nan 0.000 0.412 203 F N 1.374 121.263 119.950 -0.103 0.000 2.458 203 F HA 0.744 5.271 4.527 -0.000 0.000 0.336 203 F C 0.578 176.268 175.800 -0.182 0.000 1.114 203 F CA -0.702 57.216 58.000 -0.136 0.000 0.987 203 F CB 2.111 41.016 39.000 -0.159 0.000 1.130 203 F HN 0.462 nan 8.300 nan 0.000 0.458 204 T N -1.065 113.514 114.554 0.041 0.000 2.906 204 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 204 T C -0.155 174.550 174.700 0.009 0.000 1.075 204 T CA -0.888 61.143 62.100 -0.115 0.000 1.005 204 T CB 1.844 70.592 68.868 -0.199 0.000 1.136 204 T HN 0.497 nan 8.240 nan 0.000 0.498 205 N N -0.126 118.578 118.700 0.008 0.000 2.238 205 N HA 0.168 4.908 4.740 -0.000 0.000 0.235 205 N C -1.007 174.729 175.510 0.377 0.000 1.209 205 N CA -0.495 52.623 53.050 0.114 0.000 0.879 205 N CB 0.107 38.559 38.487 -0.058 0.000 1.136 205 N HN 0.630 nan 8.380 nan 0.000 0.517 206 Y N -0.024 120.453 120.300 0.295 0.000 2.396 206 Y HA 0.403 4.953 4.550 -0.000 0.000 0.332 206 Y C 1.309 177.414 175.900 0.340 0.000 1.034 206 Y CA -1.411 56.938 58.100 0.414 0.000 1.057 206 Y CB 1.697 40.577 38.460 0.701 0.000 1.220 206 Y HN -0.042 nan 8.280 nan 0.000 0.440 207 T N 4.079 118.655 114.554 0.038 0.000 2.737 207 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 207 T C 1.882 176.368 174.700 -0.356 0.000 1.040 207 T CA 2.306 64.284 62.100 -0.203 0.000 1.142 207 T CB -0.003 68.563 68.868 -0.504 0.000 0.861 207 T HN 0.764 nan 8.240 nan 0.000 0.456 208 R N -0.808 119.206 120.500 -0.810 0.000 2.159 208 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 208 R C 2.119 178.197 176.300 -0.370 0.000 1.131 208 R CA 1.366 57.079 56.100 -0.645 0.000 0.982 208 R CB -0.423 29.347 30.300 -0.884 0.000 0.868 208 R HN 0.569 nan 8.270 nan 0.000 0.453 209 Y N -0.418 119.748 120.300 -0.222 0.000 2.293 209 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 209 Y C 2.427 178.275 175.900 -0.085 0.000 1.137 209 Y CA 1.294 59.339 58.100 -0.092 0.000 1.202 209 Y CB -0.283 38.163 38.460 -0.023 0.000 0.990 209 Y HN -0.083 nan 8.280 nan 0.000 0.537 210 V N -0.718 119.213 119.914 0.028 0.000 2.591 210 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 210 V C 1.670 177.651 176.094 -0.188 0.000 1.053 210 V CA 2.086 64.296 62.300 -0.149 0.000 1.068 210 V CB -0.276 31.304 31.823 -0.404 0.000 0.689 210 V HN 0.243 nan 8.190 nan 0.000 0.462 211 D N 0.318 120.632 120.400 -0.143 0.000 2.104 211 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 211 D C 2.134 178.375 176.300 -0.097 0.000 0.994 211 D CA 1.954 55.873 54.000 -0.134 0.000 0.830 211 D CB -0.149 40.561 40.800 -0.151 0.000 0.959 211 D HN 0.564 nan 8.370 nan 0.000 0.452 212 E N -0.130 120.023 120.200 -0.079 0.000 2.110 212 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 212 E C 1.801 178.444 176.600 0.072 0.000 0.988 212 E CA 0.398 56.781 56.400 -0.030 0.000 0.804 212 E CB -0.385 29.272 29.700 -0.071 0.000 0.745 212 E HN 0.215 nan 8.360 nan 0.000 0.458 213 F N -0.266 119.643 119.950 -0.067 0.000 2.146 213 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 213 F C 1.981 177.784 175.800 0.005 0.000 1.096 213 F CA 1.025 59.025 58.000 -0.001 0.000 1.275 213 F CB -0.386 38.576 39.000 -0.064 0.000 1.008 213 F HN -0.104 nan 8.300 nan 0.000 0.480 214 V N 1.332 121.164 119.914 -0.137 0.000 2.295 214 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 214 V C 2.635 178.609 176.094 -0.201 0.000 1.049 214 V CA 2.259 64.412 62.300 -0.244 0.000 1.024 214 V CB -0.800 30.878 31.823 -0.241 0.000 0.648 214 V HN 0.353 nan 8.190 nan 0.000 0.447 215 R N -0.952 119.478 120.500 -0.115 0.000 2.080 215 R HA -0.273 4.067 4.340 -0.000 0.000 0.236 215 R C 2.208 178.456 176.300 -0.087 0.000 1.137 215 R CA 2.538 58.586 56.100 -0.086 0.000 0.943 215 R CB -0.616 29.658 30.300 -0.043 0.000 0.846 215 R HN 0.599 nan 8.270 nan 0.000 0.431 216 W N 1.143 122.314 121.300 -0.216 0.000 2.374 216 W HA -0.014 4.646 4.660 -0.000 0.000 0.288 216 W C 1.828 178.163 176.519 -0.307 0.000 1.218 216 W CA 1.934 59.147 57.345 -0.220 0.000 1.245 216 W CB -0.624 28.717 29.460 -0.199 0.000 1.126 216 W HN 0.269 nan 8.180 nan 0.000 0.545 217 G N -0.123 108.365 108.800 -0.520 0.000 2.434 217 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.214 217 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.214 217 G C 1.433 175.991 174.900 -0.569 0.000 1.202 217 G CA 1.481 46.115 45.100 -0.778 0.000 0.788 217 G HN 0.342 nan 8.290 nan 0.000 0.539 218 C N 0.407 119.479 119.300 -0.379 0.000 2.401 218 C HA -0.089 4.371 4.460 -0.000 0.000 0.276 218 C C 3.376 178.200 174.990 -0.277 0.000 1.233 218 C CA 1.493 60.346 59.018 -0.275 0.000 1.753 218 C CB -0.924 26.702 27.740 -0.190 0.000 2.029 218 C HN 0.508 nan 8.230 nan 0.000 0.478 219 S N -0.284 115.232 115.700 -0.305 0.000 2.353 219 S HA -0.223 4.247 4.470 -0.000 0.000 0.222 219 S C 2.000 176.403 174.600 -0.329 0.000 1.035 219 S CA 1.666 59.700 58.200 -0.277 0.000 1.025 219 S CB -0.312 62.731 63.200 -0.263 0.000 0.902 219 S HN 0.616 nan 8.310 nan 0.000 0.440 220 Q N 0.676 120.161 119.800 -0.526 0.000 2.135 220 Q HA -0.027 4.313 4.340 -0.000 0.000 0.204 220 Q C 2.270 178.121 176.000 -0.249 0.000 0.981 220 Q CA 1.359 56.895 55.803 -0.446 0.000 0.856 220 Q CB -0.641 27.685 28.738 -0.687 0.000 0.902 220 Q HN 0.656 nan 8.270 nan 0.000 0.425 221 I N 0.160 120.576 120.570 -0.256 0.000 2.264 221 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 221 I C 1.728 177.761 176.117 -0.139 0.000 1.111 221 I CA 0.648 61.842 61.300 -0.176 0.000 1.382 221 I CB -0.157 37.723 38.000 -0.200 0.000 1.060 221 I HN 0.150 nan 8.210 nan 0.000 0.418 222 L N -0.043 121.092 121.223 -0.146 0.000 2.217 222 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 222 L C 0.988 177.801 176.870 -0.094 0.000 1.107 222 L CA 1.197 55.971 54.840 -0.110 0.000 0.783 222 L CB -0.911 41.084 42.059 -0.106 0.000 0.919 222 L HN 0.139 nan 8.230 nan 0.000 0.442 223 D N -0.095 120.241 120.400 -0.108 0.000 2.339 223 D HA 0.055 4.695 4.640 -0.000 0.000 0.256 223 D C -1.697 174.557 176.300 -0.075 0.000 1.214 223 D CA -1.956 51.993 54.000 -0.085 0.000 0.877 223 D CB 1.526 42.272 40.800 -0.089 0.000 1.111 223 D HN -0.018 nan 8.370 nan 0.000 0.478 224 P HA -0.074 nan 4.420 nan 0.000 0.221 224 P C 0.452 177.719 177.300 -0.055 0.000 1.145 224 P CA 0.774 63.842 63.100 -0.053 0.000 0.795 224 P CB 0.362 32.037 31.700 -0.041 0.000 0.775 225 D N -1.549 118.818 120.400 -0.055 0.000 2.289 225 D HA 0.002 4.642 4.640 -0.000 0.000 0.207 225 D C 0.782 177.037 176.300 -0.076 0.000 0.966 225 D CA 0.651 54.618 54.000 -0.055 0.000 0.868 225 D CB -0.127 40.649 40.800 -0.041 0.000 0.943 225 D HN 0.102 nan 8.370 nan 0.000 0.514 226 S N 1.021 116.667 115.700 -0.089 0.000 2.548 226 S HA 0.133 4.603 4.470 -0.000 0.000 0.277 226 S C -1.681 172.804 174.600 -0.191 0.000 1.315 226 S CA -1.273 56.849 58.200 -0.130 0.000 1.050 226 S CB 1.614 64.757 63.200 -0.095 0.000 0.918 226 S HN -0.188 nan 8.310 nan 0.000 0.497 227 P HA 0.032 nan 4.420 nan 0.000 0.225 227 P C -0.722 176.379 177.300 -0.331 0.000 1.156 227 P CA 0.614 63.508 63.100 -0.344 0.000 0.787 227 P CB -0.018 31.423 31.700 -0.432 0.000 0.802 228 Y N 0.795 121.034 120.300 -0.101 0.000 2.537 228 Y HA 0.056 4.606 4.550 -0.000 0.000 0.339 228 Y C 1.831 177.637 175.900 -0.157 0.000 1.066 228 Y CA -0.230 57.786 58.100 -0.139 0.000 1.357 228 Y CB -0.551 37.771 38.460 -0.230 0.000 1.175 228 Y HN 0.012 nan 8.280 nan 0.000 0.525 229 I N -0.567 120.000 120.570 -0.004 0.000 4.181 229 I HA 0.678 4.848 4.170 -0.000 0.000 0.331 229 I C 0.496 176.523 176.117 -0.149 0.000 1.312 229 I CA -0.091 61.172 61.300 -0.063 0.000 1.146 229 I CB 0.470 38.454 38.000 -0.028 0.000 1.074 229 I HN 0.427 nan 8.210 nan 0.000 0.402 230 A N 1.564 124.248 122.820 -0.226 0.000 2.606 230 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 230 A C -1.917 175.356 177.584 -0.518 0.000 1.082 230 A CA -0.492 51.224 52.037 -0.535 0.000 0.685 230 A CB 2.064 20.553 19.000 -0.851 0.000 1.284 230 A HN 0.240 nan 8.150 nan 0.000 0.408 231 L N 0.987 121.811 121.223 -0.666 0.000 2.457 231 L HA 0.658 4.997 4.340 -0.000 0.000 0.266 231 L C -0.242 176.409 176.870 -0.365 0.000 0.979 231 L CA 0.064 54.673 54.840 -0.386 0.000 0.857 231 L CB 1.631 43.533 42.059 -0.261 0.000 1.213 231 L HN 0.679 nan 8.230 nan 0.000 0.418 232 S N 4.295 119.882 115.700 -0.188 0.000 2.499 232 S HA 0.584 5.054 4.470 -0.000 0.000 0.275 232 S C -0.334 174.276 174.600 0.016 0.000 1.257 232 S CA -0.361 57.868 58.200 0.048 0.000 1.050 232 S CB -0.066 63.331 63.200 0.328 0.000 0.937 232 S HN 0.789 nan 8.310 nan 0.000 0.490 233 C N 4.063 123.349 119.300 -0.024 0.000 2.435 233 C HA 0.802 5.262 4.460 -0.000 0.000 0.333 233 C C 0.847 175.555 174.990 -0.470 0.000 1.202 233 C CA -1.215 57.648 59.018 -0.259 0.000 1.830 233 C CB 0.406 28.187 27.740 0.069 0.000 2.326 233 C HN 1.013 nan 8.230 nan 0.000 0.507 234 A N 1.763 123.957 122.820 -1.043 0.000 2.548 234 A HA 0.479 4.799 4.320 -0.000 0.000 0.247 234 A C 1.329 178.645 177.584 -0.448 0.000 1.067 234 A CA 0.992 52.494 52.037 -0.892 0.000 0.757 234 A CB -0.731 17.484 19.000 -1.308 0.000 0.996 234 A HN 2.230 nan 8.150 nan 0.000 0.504 235 G N 0.975 109.583 108.800 -0.320 0.000 2.352 235 G HA2 0.235 4.195 3.960 -0.000 0.000 0.204 235 G HA3 0.235 4.195 3.960 -0.000 0.000 0.204 235 G C 1.367 176.262 174.900 -0.008 0.000 1.004 235 G CA 0.876 45.955 45.100 -0.035 0.000 0.648 235 G HN 2.625 nan 8.290 nan 0.000 0.491 236 G N -0.334 108.449 108.800 -0.028 0.000 2.705 236 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.193 236 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.193 236 G C 0.063 175.027 174.900 0.106 0.000 1.015 236 G CA 0.526 45.651 45.100 0.042 0.000 0.743 236 G HN 1.031 nan 8.290 nan 0.000 0.476 237 N N 0.615 119.370 118.700 0.093 0.000 2.356 237 N HA 0.300 5.040 4.740 -0.000 0.000 0.252 237 N C -0.511 175.130 175.510 0.218 0.000 1.241 237 N CA 0.496 53.627 53.050 0.135 0.000 0.861 237 N CB 0.251 38.797 38.487 0.099 0.000 1.075 237 N HN 0.410 nan 8.380 nan 0.000 0.461 238 W N 5.765 127.071 121.300 0.009 0.000 2.463 238 W HA 0.457 5.117 4.660 -0.000 0.000 0.316 238 W C -1.572 174.940 176.519 -0.013 0.000 1.004 238 W CA -0.514 56.825 57.345 -0.011 0.000 1.309 238 W CB 0.458 29.910 29.460 -0.012 0.000 1.288 238 W HN 0.337 nan 8.180 nan 0.000 0.423 239 I N 5.439 125.800 120.570 -0.348 0.000 2.359 239 I HA 0.308 4.478 4.170 -0.000 0.000 0.294 239 I C 0.484 176.344 176.117 -0.429 0.000 0.987 239 I CA -0.007 61.127 61.300 -0.277 0.000 1.225 239 I CB 2.174 40.065 38.000 -0.182 0.000 1.366 239 I HN 0.215 nan 8.210 nan 0.000 0.466 240 T N 3.165 117.579 114.554 -0.233 0.000 2.864 240 T HA 0.529 4.879 4.350 -0.000 0.000 0.289 240 T C 0.884 175.518 174.700 -0.110 0.000 1.082 240 T CA 0.052 62.039 62.100 -0.188 0.000 1.009 240 T CB 1.748 70.577 68.868 -0.066 0.000 1.234 240 T HN 0.606 nan 8.240 nan 0.000 0.526 241 A N 0.718 123.485 122.820 -0.089 0.000 2.131 241 A HA 0.016 4.336 4.320 -0.000 0.000 0.220 241 A C 1.180 178.738 177.584 -0.044 0.000 1.158 241 A CA 1.712 53.707 52.037 -0.070 0.000 0.665 241 A CB -0.609 18.355 19.000 -0.060 0.000 0.795 241 A HN 0.829 nan 8.150 nan 0.000 0.460 242 E N -0.282 119.904 120.200 -0.024 0.000 2.723 242 E HA 0.240 4.590 4.350 -0.000 0.000 0.219 242 E C -0.833 175.769 176.600 0.003 0.000 1.060 242 E CA -0.338 56.058 56.400 -0.006 0.000 1.291 242 E CB -0.099 29.606 29.700 0.009 0.000 1.265 242 E HN 0.144 nan 8.360 nan 0.000 0.438 243 T N 1.151 115.699 114.554 -0.011 0.000 2.859 243 T HA 0.127 4.477 4.350 -0.000 0.000 0.281 243 T C 0.814 175.510 174.700 -0.006 0.000 1.005 243 T CA -0.679 61.420 62.100 -0.001 0.000 1.025 243 T CB 2.025 70.883 68.868 -0.016 0.000 0.977 243 T HN 0.099 nan 8.240 nan 0.000 0.458 244 E N 1.927 122.130 120.200 0.005 0.000 2.008 244 E HA 0.022 4.371 4.350 -0.000 0.000 0.191 244 E C 0.960 177.559 176.600 -0.003 0.000 0.986 244 E CA 0.663 57.064 56.400 0.001 0.000 0.807 244 E CB -0.146 29.559 29.700 0.008 0.000 0.766 244 E HN 0.653 nan 8.360 nan 0.000 0.450 245 A N 2.246 125.068 122.820 0.003 0.000 2.690 245 A HA 0.384 4.704 4.320 -0.000 0.000 0.342 245 A C -2.157 175.426 177.584 -0.001 0.000 1.410 245 A CA -1.337 50.701 52.037 0.002 0.000 0.958 245 A CB 0.511 19.517 19.000 0.010 0.000 1.153 245 A HN -0.090 nan 8.150 nan 0.000 0.497 246 P HA 0.053 nan 4.420 nan 0.000 0.263 246 P C 0.346 177.635 177.300 -0.018 0.000 1.386 246 P CA 0.783 63.866 63.100 -0.028 0.000 0.797 246 P CB 0.391 32.059 31.700 -0.053 0.000 1.381 247 E N -0.633 119.567 120.200 -0.001 0.000 2.340 247 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 247 E C 1.223 177.844 176.600 0.034 0.000 0.996 247 E CA 0.544 56.950 56.400 0.010 0.000 0.869 247 E CB -0.369 29.337 29.700 0.010 0.000 0.835 247 E HN 0.151 nan 8.360 nan 0.000 0.493 248 E N 0.633 120.857 120.200 0.041 0.000 2.526 248 E HA 0.063 4.413 4.350 -0.000 0.000 0.198 248 E C 1.440 178.094 176.600 0.089 0.000 1.091 248 E CA 0.494 56.932 56.400 0.064 0.000 0.880 248 E CB -0.303 29.432 29.700 0.058 0.000 0.873 248 E HN 0.299 nan 8.360 nan 0.000 0.527 249 A N 0.561 123.427 122.820 0.078 0.000 1.873 249 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 249 A C 1.165 178.885 177.584 0.226 0.000 1.193 249 A CA 0.918 53.024 52.037 0.116 0.000 0.629 249 A CB -0.115 18.910 19.000 0.041 0.000 0.826 249 A HN 0.255 nan 8.150 nan 0.000 0.447 250 I N 0.675 121.351 120.570 0.177 0.000 2.412 250 I HA 0.150 4.320 4.170 -0.000 0.000 0.279 250 I C 0.040 176.305 176.117 0.247 0.000 1.063 250 I CA -0.184 61.269 61.300 0.256 0.000 1.193 250 I CB 1.188 39.306 38.000 0.196 0.000 1.370 250 I HN 0.153 nan 8.210 nan 0.000 0.479 251 S N 3.421 119.257 115.700 0.225 0.000 2.474 251 S HA 0.090 4.560 4.470 -0.000 0.000 0.276 251 S C 1.001 175.751 174.600 0.251 0.000 1.227 251 S CA -0.534 57.777 58.200 0.185 0.000 1.050 251 S CB 0.586 63.864 63.200 0.130 0.000 0.939 251 S HN 0.479 nan 8.310 nan 0.000 0.490 252 D N 3.744 124.305 120.400 0.269 0.000 2.271 252 D HA -0.120 4.520 4.640 -0.000 0.000 0.207 252 D C 1.636 178.124 176.300 0.313 0.000 0.983 252 D CA 0.687 54.900 54.000 0.354 0.000 0.878 252 D CB -0.122 40.814 40.800 0.226 0.000 0.920 252 D HN 0.520 nan 8.370 nan 0.000 0.479 253 L N 0.497 121.836 121.223 0.194 0.000 2.191 253 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 253 L C 2.017 178.954 176.870 0.112 0.000 1.103 253 L CA 1.341 56.260 54.840 0.133 0.000 0.769 253 L CB -0.725 41.385 42.059 0.085 0.000 0.908 253 L HN -0.011 nan 8.230 nan 0.000 0.438 254 A N -0.826 122.060 122.820 0.109 0.000 1.892 254 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 254 A C 2.100 179.680 177.584 -0.007 0.000 1.188 254 A CA 1.927 53.980 52.037 0.026 0.000 0.631 254 A CB -1.286 17.608 19.000 -0.176 0.000 0.822 254 A HN 0.693 nan 8.150 nan 0.000 0.447 255 W N -0.087 121.310 121.300 0.161 0.000 2.611 255 W HA -0.027 4.633 4.660 -0.000 0.000 0.251 255 W C 2.107 178.667 176.519 0.069 0.000 1.265 255 W CA 1.413 58.838 57.345 0.133 0.000 1.295 255 W CB -0.112 29.429 29.460 0.136 0.000 1.129 255 W HN 0.524 nan 8.180 nan 0.000 0.630 256 K N 0.569 121.084 120.400 0.192 0.000 2.276 256 K HA -0.029 4.291 4.320 -0.000 0.000 0.198 256 K C 1.852 178.434 176.600 -0.029 0.000 1.052 256 K CA 0.564 56.909 56.287 0.095 0.000 0.984 256 K CB 0.174 32.723 32.500 0.082 0.000 0.836 256 K HN -0.091 nan 8.250 nan 0.000 0.490 257 K N -0.446 119.857 120.400 -0.163 0.000 2.137 257 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 257 K C -0.141 176.055 176.600 -0.674 0.000 1.052 257 K CA 0.795 56.806 56.287 -0.459 0.000 0.961 257 K CB 0.143 32.221 32.500 -0.704 0.000 0.741 257 K HN 0.224 nan 8.250 nan 0.000 0.452 258 H N 0.138 119.155 119.070 -0.088 0.000 2.495 258 H HA 0.223 4.779 4.556 -0.000 0.000 0.348 258 H C -0.503 174.804 175.328 -0.034 0.000 1.113 258 H CA -0.760 55.212 56.048 -0.126 0.000 1.195 258 H CB 1.513 31.158 29.762 -0.195 0.000 1.521 258 H HN -0.049 nan 8.280 nan 0.000 0.509 262 A N 1.289 123.665 122.820 -0.741 0.000 2.423 262 A HA 0.931 5.250 4.320 -0.000 0.000 0.304 262 A C -1.727 175.256 177.584 -1.002 0.000 1.104 262 A CA -0.564 51.123 52.037 -0.584 0.000 0.757 262 A CB 1.672 20.389 19.000 -0.472 0.000 1.313 262 A HN 0.433 nan 8.150 nan 0.000 0.423 263 W N 1.442 122.393 121.300 -0.581 0.000 2.957 263 W HA 0.391 5.051 4.660 -0.000 0.000 0.336 263 W C -1.106 175.113 176.519 -0.500 0.000 1.087 263 W CA -0.280 56.827 57.345 -0.396 0.000 1.235 263 W CB 1.706 31.172 29.460 0.009 0.000 1.399 263 W HN 0.701 nan 8.180 nan 0.000 0.480 264 H N 3.954 123.111 119.070 0.144 0.000 2.539 264 H HA 0.358 4.914 4.556 -0.000 0.000 0.332 264 H C -0.445 174.930 175.328 0.077 0.000 1.031 264 H CA -0.702 55.400 56.048 0.089 0.000 1.206 264 H CB 2.609 32.345 29.762 -0.044 0.000 1.446 264 H HN 0.143 nan 8.280 nan 0.000 0.496 265 L N 5.485 126.840 121.223 0.220 0.000 2.270 265 L HA 0.316 4.656 4.340 -0.000 0.000 0.286 265 L C -0.044 176.916 176.870 0.151 0.000 1.059 265 L CA -0.413 54.424 54.840 -0.004 0.000 0.839 265 L CB 0.103 41.978 42.059 -0.306 0.000 1.221 265 L HN 0.438 nan 8.230 nan 0.000 0.431 266 I N 2.828 123.451 120.570 0.088 0.000 2.612 266 I HA 0.333 4.503 4.170 -0.000 0.000 0.295 266 I C 0.679 176.897 176.117 0.168 0.000 1.011 266 I CA -0.209 61.172 61.300 0.135 0.000 1.326 266 I CB 1.860 39.885 38.000 0.042 0.000 1.427 266 I HN 0.507 nan 8.210 nan 0.000 0.537 267 T N 0.846 115.489 114.554 0.148 0.000 2.916 267 T HA 0.580 4.930 4.350 -0.000 0.000 0.292 267 T C 0.704 175.440 174.700 0.060 0.000 1.064 267 T CA -0.306 61.834 62.100 0.066 0.000 1.011 267 T CB 1.808 70.682 68.868 0.011 0.000 1.152 267 T HN 0.603 nan 8.240 nan 0.000 0.510 268 A N 1.229 124.066 122.820 0.029 0.000 1.948 268 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 268 A C 1.707 179.318 177.584 0.045 0.000 1.177 268 A CA 1.976 54.035 52.037 0.037 0.000 0.636 268 A CB -0.960 18.050 19.000 0.017 0.000 0.815 268 A HN 0.965 nan 8.150 nan 0.000 0.449 269 D N -1.520 118.905 120.400 0.042 0.000 2.325 269 D HA 0.272 4.912 4.640 -0.000 0.000 0.225 269 D C 0.958 177.305 176.300 0.077 0.000 1.096 269 D CA 0.499 54.530 54.000 0.051 0.000 0.844 269 D CB -0.999 39.826 40.800 0.042 0.000 0.925 269 D HN 0.762 nan 8.370 nan 0.000 0.513 270 G N 1.334 110.190 108.800 0.094 0.000 2.350 270 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.298 270 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.298 270 G C 0.137 175.135 174.900 0.165 0.000 1.037 270 G CA -0.089 45.083 45.100 0.120 0.000 1.074 270 G HN 0.351 nan 8.290 nan 0.000 0.511 271 Q N -0.612 119.313 119.800 0.208 0.000 2.144 271 Q HA 0.340 4.680 4.340 -0.000 0.000 0.305 271 Q C 1.227 177.458 176.000 0.385 0.000 0.876 271 Q CA 0.295 56.299 55.803 0.335 0.000 1.130 271 Q CB 0.780 29.676 28.738 0.263 0.000 1.267 271 Q HN 0.625 nan 8.270 nan 0.000 0.433 272 G N 0.455 109.487 108.800 0.388 0.000 2.582 272 G HA2 0.637 4.597 3.960 -0.000 0.000 0.232 272 G HA3 0.637 4.597 3.960 -0.000 0.000 0.232 272 G C -0.140 175.061 174.900 0.501 0.000 1.458 272 G CA -0.369 45.030 45.100 0.499 0.000 1.062 272 G HN 0.200 nan 8.290 nan 0.000 0.566 273 I N -0.410 120.414 120.570 0.425 0.000 2.498 273 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 273 I C -0.542 175.771 176.117 0.327 0.000 1.032 273 I CA -0.414 61.113 61.300 0.378 0.000 1.073 273 I CB 2.581 40.804 38.000 0.373 0.000 1.251 273 I HN 0.214 nan 8.210 nan 0.000 0.426 274 T N 6.815 121.491 114.554 0.204 0.000 2.794 274 T HA 0.570 4.920 4.350 -0.000 0.000 0.280 274 T C -0.676 173.928 174.700 -0.159 0.000 0.987 274 T CA -0.368 61.790 62.100 0.097 0.000 0.993 274 T CB 1.382 70.371 68.868 0.201 0.000 0.939 274 T HN 0.352 nan 8.240 nan 0.000 0.449 275 L N 4.448 125.470 121.223 -0.336 0.000 2.356 275 L HA 0.789 5.129 4.340 -0.000 0.000 0.277 275 L C -1.417 175.362 176.870 -0.151 0.000 0.996 275 L CA -0.671 53.910 54.840 -0.431 0.000 0.822 275 L CB 1.148 42.592 42.059 -1.026 0.000 1.256 275 L HN 0.392 nan 8.230 nan 0.000 0.413 276 V N 3.536 123.432 119.914 -0.029 0.000 2.540 276 V HA 0.369 4.489 4.120 -0.000 0.000 0.302 276 V C -0.418 175.802 176.094 0.210 0.000 1.035 276 V CA -0.718 61.665 62.300 0.138 0.000 0.873 276 V CB 1.752 33.738 31.823 0.272 0.000 0.992 276 V HN 0.763 nan 8.190 nan 0.000 0.428 277 N N 3.731 122.578 118.700 0.245 0.000 2.521 277 N HA 0.287 5.027 4.740 -0.000 0.000 0.236 277 N C 1.022 176.648 175.510 0.193 0.000 1.067 277 N CA -0.455 52.754 53.050 0.265 0.000 0.939 277 N CB 0.550 39.302 38.487 0.441 0.000 1.201 277 N HN 0.767 nan 8.380 nan 0.000 0.511 278 I N 0.303 120.934 120.570 0.102 0.000 3.001 278 I HA 0.262 4.432 4.170 -0.000 0.000 0.268 278 I C 1.121 177.246 176.117 0.013 0.000 1.267 278 I CA 0.229 61.517 61.300 -0.018 0.000 1.472 278 I CB -0.808 37.065 38.000 -0.211 0.000 1.089 278 I HN 0.498 nan 8.210 nan 0.000 0.468 279 G N 1.202 110.060 108.800 0.098 0.000 2.498 279 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.245 279 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.245 279 G C -0.436 174.504 174.900 0.068 0.000 1.204 279 G CA 0.001 45.173 45.100 0.120 0.000 0.933 279 G HN 0.602 nan 8.290 nan 0.000 0.574 280 V N 0.636 120.587 119.914 0.061 0.000 2.735 280 V HA 0.894 5.014 4.120 -0.000 0.000 0.310 280 V C 0.515 176.618 176.094 0.014 0.000 1.061 280 V CA 1.390 63.715 62.300 0.042 0.000 0.913 280 V CB 1.168 33.045 31.823 0.090 0.000 1.005 280 V HN 3.031 nan 8.190 nan 0.000 0.428 281 G N 5.892 114.686 108.800 -0.010 0.000 2.640 281 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.686 281 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.686 281 G C -2.802 172.061 174.900 -0.061 0.000 1.229 281 G CA -0.163 44.927 45.100 -0.017 0.000 0.796 281 G HN 0.596 nan 8.290 nan 0.000 0.654 282 P HA 0.023 nan 4.420 nan 0.000 0.219 282 P C 2.104 179.349 177.300 -0.093 0.000 1.150 282 P CA 1.643 64.690 63.100 -0.089 0.000 0.814 282 P CB 0.194 31.852 31.700 -0.070 0.000 0.787 283 S N -0.566 115.099 115.700 -0.059 0.000 2.365 283 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 283 S C 1.812 176.349 174.600 -0.104 0.000 1.039 283 S CA 1.569 59.735 58.200 -0.055 0.000 1.033 283 S CB -1.190 61.998 63.200 -0.020 0.000 0.887 283 S HN 0.339 nan 8.310 nan 0.000 0.447 284 N N 0.960 119.586 118.700 -0.123 0.000 2.142 284 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 284 N C 2.042 177.394 175.510 -0.263 0.000 1.023 284 N CA 0.861 53.798 53.050 -0.188 0.000 0.852 284 N CB -0.230 38.167 38.487 -0.151 0.000 0.998 284 N HN 0.388 nan 8.380 nan 0.000 0.424 285 A N 2.000 124.660 122.820 -0.266 0.000 1.908 285 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 285 A C 2.092 179.465 177.584 -0.352 0.000 1.181 285 A CA 1.532 53.340 52.037 -0.382 0.000 0.627 285 A CB -0.528 18.277 19.000 -0.326 0.000 0.818 285 A HN 0.249 nan 8.150 nan 0.000 0.445 286 K N -1.030 119.234 120.400 -0.227 0.000 2.002 286 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 286 K C 2.071 178.567 176.600 -0.174 0.000 1.048 286 K CA 1.945 58.138 56.287 -0.157 0.000 0.930 286 K CB -0.485 31.960 32.500 -0.091 0.000 0.714 286 K HN 0.416 nan 8.250 nan 0.000 0.438 287 T N 1.795 116.229 114.554 -0.201 0.000 2.635 287 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 287 T C 1.815 176.323 174.700 -0.319 0.000 1.040 287 T CA 1.631 63.584 62.100 -0.244 0.000 1.156 287 T CB -0.299 68.424 68.868 -0.242 0.000 0.863 287 T HN 0.231 nan 8.240 nan 0.000 0.430 288 I N 0.808 121.189 120.570 -0.315 0.000 2.226 288 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 288 I C 2.445 178.419 176.117 -0.238 0.000 1.100 288 I CA 0.893 62.047 61.300 -0.244 0.000 1.374 288 I CB -0.596 37.232 38.000 -0.287 0.000 1.057 288 I HN 0.317 nan 8.210 nan 0.000 0.413 289 C N 0.452 119.548 119.300 -0.339 0.000 2.425 289 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 289 C C 2.402 177.338 174.990 -0.091 0.000 1.280 289 C CA 0.842 59.705 59.018 -0.259 0.000 1.744 289 C CB -1.303 26.306 27.740 -0.217 0.000 1.989 289 C HN 0.526 nan 8.230 nan 0.000 0.491 290 D N -0.015 120.285 120.400 -0.167 0.000 2.116 290 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 290 D C 1.956 177.965 176.300 -0.486 0.000 0.998 290 D CA 1.471 55.288 54.000 -0.305 0.000 0.836 290 D CB -0.432 40.144 40.800 -0.375 0.000 0.951 290 D HN 0.610 nan 8.370 nan 0.000 0.449 291 H N -0.611 118.358 119.070 -0.169 0.000 2.384 291 H HA 0.033 4.589 4.556 -0.000 0.000 0.300 291 H C 2.121 177.297 175.328 -0.254 0.000 1.057 291 H CA 0.197 56.113 56.048 -0.220 0.000 1.370 291 H CB -0.577 29.106 29.762 -0.132 0.000 1.417 291 H HN 0.080 nan 8.280 nan 0.000 0.527 292 L N 1.531 122.732 121.223 -0.037 0.000 2.265 292 L HA -0.003 4.337 4.340 -0.000 0.000 0.215 292 L C 2.338 179.247 176.870 0.065 0.000 1.117 292 L CA 1.295 56.145 54.840 0.017 0.000 0.782 292 L CB -0.900 41.266 42.059 0.178 0.000 0.914 292 L HN 0.178 nan 8.230 nan 0.000 0.441 293 A N -0.897 121.905 122.820 -0.030 0.000 2.019 293 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 293 A C 2.240 179.678 177.584 -0.244 0.000 1.164 293 A CA 1.769 53.739 52.037 -0.111 0.000 0.644 293 A CB -1.109 17.510 19.000 -0.635 0.000 0.805 293 A HN 0.462 nan 8.150 nan 0.000 0.449 294 V N -2.554 117.067 119.914 -0.489 0.000 2.809 294 V HA -0.031 4.089 4.120 -0.000 0.000 0.256 294 V C 1.836 177.855 176.094 -0.124 0.000 1.080 294 V CA 1.563 63.581 62.300 -0.469 0.000 1.102 294 V CB -0.783 30.714 31.823 -0.544 0.000 0.705 294 V HN 0.443 nan 8.190 nan 0.000 0.475 295 L N -0.220 120.950 121.223 -0.088 0.000 2.599 295 L HA 0.264 4.604 4.340 -0.000 0.000 0.230 295 L C 0.864 177.689 176.870 -0.074 0.000 1.141 295 L CA -0.084 54.744 54.840 -0.019 0.000 0.877 295 L CB -0.334 41.666 42.059 -0.099 0.000 1.009 295 L HN 0.327 nan 8.230 nan 0.000 0.447 296 R N -1.358 119.082 120.500 -0.100 0.000 3.188 296 R HA -0.144 4.196 4.340 -0.000 0.000 0.247 296 R C -2.244 173.984 176.300 -0.120 0.000 0.918 296 R CA 0.029 56.044 56.100 -0.143 0.000 0.629 296 R CB -2.201 27.894 30.300 -0.341 0.000 1.087 296 R HN 0.242 nan 8.270 nan 0.000 0.462 297 P HA 0.025 nan 4.420 nan 0.000 0.270 297 P C 0.718 177.922 177.300 -0.160 0.000 1.227 297 P CA -0.238 62.801 63.100 -0.102 0.000 0.788 297 P CB 0.539 32.240 31.700 0.003 0.000 0.926 298 D N -0.777 119.473 120.400 -0.250 0.000 2.305 298 D HA 0.104 4.744 4.640 -0.000 0.000 0.206 298 D C 0.262 176.447 176.300 -0.191 0.000 0.974 298 D CA 0.938 54.840 54.000 -0.162 0.000 0.871 298 D CB 0.515 41.078 40.800 -0.395 0.000 0.947 298 D HN 0.066 nan 8.370 nan 0.000 0.516 299 V N 0.118 119.915 119.914 -0.194 0.000 3.155 299 V HA 0.421 4.541 4.120 -0.000 0.000 0.272 299 V C -2.168 173.954 176.094 0.047 0.000 1.639 299 V CA -0.954 61.274 62.300 -0.119 0.000 1.006 299 V CB 1.684 33.529 31.823 0.037 0.000 1.244 299 V HN 0.138 nan 8.190 nan 0.000 0.458 300 W N 5.844 127.172 121.300 0.048 0.000 2.957 300 W HA 0.883 5.543 4.660 -0.000 0.000 0.336 300 W C -2.090 174.472 176.519 0.071 0.000 1.087 300 W CA -1.331 55.991 57.345 -0.038 0.000 1.235 300 W CB 0.668 30.066 29.460 -0.103 0.000 1.399 300 W HN 0.505 nan 8.180 nan 0.000 0.480 304 G N 3.705 112.440 108.800 -0.109 0.000 2.788 304 G HA2 0.681 4.641 3.960 -0.000 0.000 0.293 304 G HA3 0.681 4.641 3.960 -0.000 0.000 0.293 304 G C -1.003 174.019 174.900 0.204 0.000 1.392 304 G CA -0.587 44.447 45.100 -0.109 0.000 0.810 304 G HN 0.626 nan 8.290 nan 0.000 0.508 305 H N -2.426 116.792 119.070 0.246 0.000 2.509 305 H HA 0.767 5.323 4.556 -0.000 0.000 0.359 305 H C 0.486 175.821 175.328 0.011 0.000 1.253 305 H CA -0.670 55.434 56.048 0.094 0.000 1.373 305 H CB 1.222 30.878 29.762 -0.176 0.000 1.555 305 H HN 0.949 nan 8.280 nan 0.000 0.586 306 C N -0.394 118.969 119.300 0.105 0.000 3.320 306 C HA 0.861 5.321 4.460 -0.000 0.000 0.335 306 C C 0.345 175.369 174.990 0.056 0.000 1.430 306 C CA -0.539 58.521 59.018 0.070 0.000 1.271 306 C CB 1.033 28.783 27.740 0.018 0.000 1.609 306 C HN 1.249 nan 8.230 nan 0.000 0.457 307 G N 0.272 109.114 108.800 0.071 0.000 2.332 307 G HA2 0.602 4.562 3.960 -0.000 0.000 0.310 307 G HA3 0.602 4.562 3.960 -0.000 0.000 0.310 307 G C 0.175 175.104 174.900 0.048 0.000 1.123 307 G CA 0.108 45.264 45.100 0.094 0.000 0.873 307 G HN 1.542 nan 8.290 nan 0.000 0.460 308 G N 0.819 109.640 108.800 0.035 0.000 2.370 308 G HA2 0.419 4.379 3.960 -0.000 0.000 0.272 308 G HA3 0.419 4.379 3.960 -0.000 0.000 0.272 308 G C 0.713 175.654 174.900 0.069 0.000 1.208 308 G CA -0.591 44.517 45.100 0.012 0.000 0.856 308 G HN 0.567 nan 8.290 nan 0.000 0.500 309 L N 1.662 122.919 121.223 0.056 0.000 2.554 309 L HA 0.257 4.597 4.340 -0.000 0.000 0.225 309 L C 0.820 177.802 176.870 0.186 0.000 1.104 309 L CA -0.017 54.906 54.840 0.138 0.000 0.866 309 L CB -0.046 42.060 42.059 0.079 0.000 1.047 309 L HN 0.254 nan 8.230 nan 0.000 0.468 310 R N 0.824 121.363 120.500 0.064 0.000 2.346 310 R HA 0.087 4.426 4.340 -0.000 0.000 0.311 310 R C 1.075 177.252 176.300 -0.206 0.000 0.983 310 R CA -0.300 55.810 56.100 0.016 0.000 0.880 310 R CB 1.243 31.533 30.300 -0.016 0.000 1.100 310 R HN -0.037 nan 8.270 nan 0.000 0.453 311 E N 2.147 122.167 120.200 -0.299 0.000 2.147 311 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 311 E C 0.748 177.144 176.600 -0.341 0.000 1.005 311 E CA 2.239 58.266 56.400 -0.622 0.000 0.810 311 E CB 0.288 29.919 29.700 -0.115 0.000 0.736 311 E HN 0.556 nan 8.360 nan 0.000 0.460 312 S N -0.314 115.279 115.700 -0.178 0.000 2.607 312 S HA -0.016 4.454 4.470 -0.000 0.000 0.224 312 S C 0.743 175.266 174.600 -0.128 0.000 0.969 312 S CA -0.176 57.949 58.200 -0.126 0.000 0.927 312 S CB -0.115 63.041 63.200 -0.073 0.000 0.772 312 S HN 0.197 nan 8.310 nan 0.000 0.533 313 Q N 0.970 120.678 119.800 -0.154 0.000 2.259 313 Q HA 0.696 5.036 4.340 -0.000 0.000 0.249 313 Q C -0.540 175.374 176.000 -0.144 0.000 0.914 313 Q CA -0.386 55.341 55.803 -0.128 0.000 0.904 313 Q CB 1.537 30.211 28.738 -0.107 0.000 1.213 313 Q HN 0.458 nan 8.270 nan 0.000 0.428 314 A N 2.606 125.347 122.820 -0.130 0.000 2.337 314 A HA 0.509 4.829 4.320 -0.000 0.000 0.329 314 A C -0.288 177.220 177.584 -0.125 0.000 1.146 314 A CA -0.810 51.142 52.037 -0.143 0.000 0.800 314 A CB 0.648 19.561 19.000 -0.146 0.000 1.220 314 A HN 0.779 nan 8.150 nan 0.000 0.472 315 I N 1.611 122.110 120.570 -0.118 0.000 2.752 315 I HA 0.208 4.378 4.170 -0.000 0.000 0.289 315 I C 1.473 177.581 176.117 -0.015 0.000 1.197 315 I CA 2.028 63.296 61.300 -0.054 0.000 1.432 315 I CB 0.349 38.340 38.000 -0.014 0.000 1.359 315 I HN 1.101 nan 8.210 nan 0.000 0.571 316 G N 4.083 112.873 108.800 -0.017 0.000 2.218 316 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 316 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 316 G C 0.030 174.703 174.900 -0.379 0.000 0.994 316 G CA -0.475 44.581 45.100 -0.074 0.000 0.637 316 G HN 0.566 nan 8.290 nan 0.000 0.505 317 D N -0.070 120.143 120.400 -0.311 0.000 2.360 317 D HA 0.547 5.187 4.640 -0.000 0.000 0.242 317 D C 0.037 176.057 176.300 -0.466 0.000 1.184 317 D CA 0.331 54.096 54.000 -0.391 0.000 0.930 317 D CB 0.368 41.058 40.800 -0.183 0.000 1.161 317 D HN 0.175 nan 8.370 nan 0.000 0.447 318 Y N -0.691 119.581 120.300 -0.047 0.000 2.420 318 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 318 Y C 0.199 176.075 175.900 -0.040 0.000 1.094 318 Y CA -0.958 57.104 58.100 -0.065 0.000 1.126 318 Y CB 1.449 39.874 38.460 -0.058 0.000 1.217 318 Y HN -0.088 nan 8.280 nan 0.000 0.462 319 V N 4.515 124.514 119.914 0.142 0.000 2.444 319 V HA 0.326 4.446 4.120 -0.000 0.000 0.294 319 V C -1.064 175.067 176.094 0.062 0.000 1.022 319 V CA -0.784 61.549 62.300 0.055 0.000 0.850 319 V CB 1.753 33.579 31.823 0.005 0.000 0.992 319 V HN 0.525 nan 8.190 nan 0.000 0.426 320 L N 5.657 126.899 121.223 0.032 0.000 2.262 320 L HA 0.812 5.152 4.340 -0.000 0.000 0.288 320 L C 0.511 177.354 176.870 -0.046 0.000 1.035 320 L CA -0.143 54.719 54.840 0.038 0.000 0.820 320 L CB 0.968 43.073 42.059 0.077 0.000 1.204 320 L HN 0.733 nan 8.230 nan 0.000 0.424 321 A N 3.709 126.504 122.820 -0.041 0.000 2.454 321 A HA 0.397 4.717 4.320 -0.000 0.000 0.260 321 A C 0.297 177.815 177.584 -0.110 0.000 1.106 321 A CA 0.135 52.067 52.037 -0.175 0.000 0.780 321 A CB -0.185 18.639 19.000 -0.293 0.000 1.044 321 A HN 0.958 nan 8.150 nan 0.000 0.498 322 H N 0.255 119.188 119.070 -0.228 0.000 2.893 322 H HA 0.639 5.195 4.556 -0.000 0.000 0.270 322 H C -0.189 175.027 175.328 -0.187 0.000 1.095 322 H CA -0.368 55.590 56.048 -0.149 0.000 1.186 322 H CB -0.487 29.221 29.762 -0.090 0.000 1.562 322 H HN 1.030 nan 8.280 nan 0.000 0.536 323 A N -0.111 122.653 122.820 -0.094 0.000 2.569 323 A HA 0.559 4.879 4.320 -0.000 0.000 0.292 323 A C -2.239 175.067 177.584 -0.465 0.000 1.032 323 A CA -0.902 51.014 52.037 -0.203 0.000 0.669 323 A CB 0.565 19.480 19.000 -0.142 0.000 1.290 323 A HN 0.157 nan 8.150 nan 0.000 0.422 324 Y N -0.273 120.027 120.300 0.000 0.000 2.442 324 Y HA 0.616 5.166 4.550 -0.000 0.000 0.344 324 Y C -0.294 175.564 175.900 -0.069 0.000 0.976 324 Y CA -0.705 57.371 58.100 -0.040 0.000 1.040 324 Y CB 2.191 40.618 38.460 -0.055 0.000 1.228 324 Y HN 0.630 nan 8.280 nan 0.000 0.451 325 L N 4.410 125.656 121.223 0.038 0.000 2.272 325 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 325 L C -0.442 176.412 176.870 -0.027 0.000 1.045 325 L CA -0.658 54.171 54.840 -0.017 0.000 0.842 325 L CB 0.301 42.315 42.059 -0.076 0.000 1.224 325 L HN 0.529 nan 8.230 nan 0.000 0.430 326 R N 3.658 124.142 120.500 -0.026 0.000 2.441 326 R HA 0.163 4.503 4.340 -0.000 0.000 0.300 326 R C -0.474 175.757 176.300 -0.115 0.000 1.284 326 R CA 0.060 56.117 56.100 -0.071 0.000 1.069 326 R CB 0.016 30.272 30.300 -0.073 0.000 1.087 326 R HN 0.539 nan 8.270 nan 0.000 0.519 327 D N 0.926 121.226 120.400 -0.167 0.000 2.559 327 D HA -0.032 4.608 4.640 -0.000 0.000 0.234 327 D C 0.292 176.289 176.300 -0.506 0.000 1.226 327 D CA 0.198 54.027 54.000 -0.285 0.000 0.830 327 D CB 0.564 41.280 40.800 -0.141 0.000 1.028 327 D HN 0.479 nan 8.370 nan 0.000 0.492 328 D N -0.921 119.250 120.400 -0.382 0.000 2.346 328 D HA -0.103 4.537 4.640 -0.000 0.000 0.206 328 D C 0.831 176.985 176.300 -0.242 0.000 1.001 328 D CA 0.345 54.171 54.000 -0.291 0.000 0.871 328 D CB 0.058 40.762 40.800 -0.161 0.000 0.943 328 D HN 0.113 nan 8.370 nan 0.000 0.518 329 H N -0.284 118.778 119.070 -0.013 0.000 5.117 329 H HA -0.224 4.331 4.556 -0.000 0.000 0.074 329 H C 1.898 177.217 175.328 -0.015 0.000 0.550 329 H CA 1.446 57.489 56.048 -0.009 0.000 1.091 329 H CB -1.636 28.128 29.762 0.003 0.000 0.520 329 H HN 0.249 nan 8.280 nan 0.000 0.712 330 V N 1.604 121.570 119.914 0.086 0.000 2.636 330 V HA -0.204 3.916 4.120 -0.000 0.000 0.258 330 V C 2.086 178.189 176.094 0.015 0.000 1.092 330 V CA 2.467 64.791 62.300 0.039 0.000 1.110 330 V CB -0.424 31.400 31.823 0.001 0.000 0.685 330 V HN 0.384 nan 8.190 nan 0.000 0.481 331 L N -1.071 120.151 121.223 -0.003 0.000 2.906 331 L HA 0.229 4.569 4.340 -0.000 0.000 0.255 331 L C 1.545 178.412 176.870 -0.006 0.000 1.166 331 L CA -0.072 54.758 54.840 -0.017 0.000 0.977 331 L CB 0.144 42.170 42.059 -0.054 0.000 1.313 331 L HN 0.192 nan 8.230 nan 0.000 0.549 332 D N 1.346 121.757 120.400 0.019 0.000 2.158 332 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 332 D C 2.175 178.486 176.300 0.018 0.000 0.995 332 D CA 1.567 55.582 54.000 0.026 0.000 0.846 332 D CB 0.204 41.040 40.800 0.061 0.000 0.941 332 D HN 0.351 nan 8.370 nan 0.000 0.456 333 A N 0.501 123.332 122.820 0.019 0.000 1.873 333 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 333 A C 2.417 180.009 177.584 0.013 0.000 1.186 333 A CA 2.092 54.139 52.037 0.016 0.000 0.616 333 A CB -0.761 18.250 19.000 0.018 0.000 0.823 333 A HN 0.235 nan 8.150 nan 0.000 0.442 334 V N -3.902 116.018 119.914 0.010 0.000 2.871 334 V HA 0.287 4.407 4.120 -0.000 0.000 0.256 334 V C 0.724 176.820 176.094 0.004 0.000 1.082 334 V CA 0.954 63.259 62.300 0.007 0.000 1.105 334 V CB -0.323 31.502 31.823 0.003 0.000 0.713 334 V HN 0.307 nan 8.190 nan 0.000 0.473 335 L N 1.725 122.946 121.223 -0.002 0.000 2.514 335 L HA 0.662 5.002 4.340 -0.000 0.000 0.257 335 L C -2.848 174.016 176.870 -0.011 0.000 1.101 335 L CA -1.856 52.983 54.840 -0.001 0.000 0.911 335 L CB 1.385 43.434 42.059 -0.018 0.000 1.162 335 L HN 0.004 nan 8.230 nan 0.000 0.477 336 P HA 0.077 nan 4.420 nan 0.000 0.264 336 P C -2.081 175.211 177.300 -0.013 0.000 1.179 336 P CA -0.638 62.462 63.100 0.000 0.000 0.763 336 P CB 0.193 31.897 31.700 0.007 0.000 0.806 337 P HA -0.173 nan 4.420 nan 0.000 0.226 337 P C 0.681 177.970 177.300 -0.019 0.000 1.146 337 P CA 1.324 64.414 63.100 -0.016 0.000 0.773 337 P CB -0.185 31.517 31.700 0.003 0.000 0.772 338 D N -1.804 118.589 120.400 -0.012 0.000 2.339 338 D HA -0.027 4.613 4.640 -0.000 0.000 0.217 338 D C 0.396 176.687 176.300 -0.016 0.000 1.050 338 D CA 0.147 54.141 54.000 -0.010 0.000 0.856 338 D CB -0.026 40.774 40.800 0.000 0.000 0.922 338 D HN 0.087 nan 8.370 nan 0.000 0.518 339 I N 3.671 124.224 120.570 -0.029 0.000 2.379 339 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 339 I C -2.005 174.053 176.117 -0.098 0.000 1.063 339 I CA -2.384 58.894 61.300 -0.037 0.000 1.351 339 I CB 0.452 38.437 38.000 -0.026 0.000 1.410 339 I HN -0.137 nan 8.210 nan 0.000 0.505 340 P HA 0.202 nan 4.420 nan 0.000 0.271 340 P C -0.714 176.447 177.300 -0.231 0.000 1.220 340 P CA -0.209 62.831 63.100 -0.100 0.000 0.768 340 P CB 1.199 32.877 31.700 -0.036 0.000 0.848 341 I N 5.986 126.427 120.570 -0.215 0.000 2.330 341 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 341 I C -1.258 174.874 176.117 0.026 0.000 1.025 341 I CA -2.584 58.539 61.300 -0.294 0.000 1.197 341 I CB 0.573 38.418 38.000 -0.259 0.000 1.358 341 I HN 0.290 nan 8.210 nan 0.000 0.467 342 P HA 0.342 nan 4.420 nan 0.000 0.289 342 P C -0.385 177.068 177.300 0.254 0.000 1.299 342 P CA -0.348 62.844 63.100 0.154 0.000 0.766 342 P CB 1.062 32.843 31.700 0.136 0.000 1.226 343 S N -0.489 115.295 115.700 0.140 0.000 2.593 343 S HA 0.475 4.945 4.470 -0.000 0.000 0.297 343 S C 0.054 174.642 174.600 -0.021 0.000 1.112 343 S CA -0.586 57.673 58.200 0.097 0.000 1.043 343 S CB 0.491 63.738 63.200 0.078 0.000 1.054 343 S HN 0.220 nan 8.310 nan 0.000 0.516 344 I N 2.780 123.268 120.570 -0.137 0.000 2.291 344 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 344 I C 1.383 177.455 176.117 -0.075 0.000 1.050 344 I CA -0.651 60.557 61.300 -0.152 0.000 1.245 344 I CB -0.184 37.641 38.000 -0.292 0.000 1.405 344 I HN 0.809 nan 8.210 nan 0.000 0.478 345 A N 5.815 128.610 122.820 -0.042 0.000 1.903 345 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 345 A C 1.962 179.536 177.584 -0.016 0.000 1.191 345 A CA 1.808 53.831 52.037 -0.023 0.000 0.638 345 A CB -0.313 18.675 19.000 -0.019 0.000 0.823 345 A HN 0.678 nan 8.150 nan 0.000 0.451 346 E N -0.402 119.785 120.200 -0.021 0.000 2.070 346 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 346 E C 1.986 178.589 176.600 0.004 0.000 1.004 346 E CA 1.433 57.831 56.400 -0.004 0.000 0.805 346 E CB -0.650 29.047 29.700 -0.005 0.000 0.744 346 E HN 0.379 nan 8.360 nan 0.000 0.451 347 V N 1.108 121.010 119.914 -0.020 0.000 2.427 347 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 347 V C 2.198 178.311 176.094 0.032 0.000 1.051 347 V CA 1.430 63.730 62.300 0.000 0.000 1.048 347 V CB -0.477 31.322 31.823 -0.041 0.000 0.666 347 V HN 0.237 nan 8.190 nan 0.000 0.456 348 Q N 0.235 120.050 119.800 0.024 0.000 2.050 348 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 348 Q C 2.422 178.471 176.000 0.083 0.000 0.980 348 Q CA 1.629 57.462 55.803 0.051 0.000 0.840 348 Q CB -0.387 28.365 28.738 0.023 0.000 0.898 348 Q HN 0.598 nan 8.270 nan 0.000 0.424 349 R N 0.412 120.948 120.500 0.060 0.000 2.083 349 R HA -0.099 4.241 4.340 -0.000 0.000 0.237 349 R C 2.350 178.726 176.300 0.127 0.000 1.137 349 R CA 1.327 57.485 56.100 0.097 0.000 0.951 349 R CB -0.491 29.843 30.300 0.057 0.000 0.851 349 R HN 0.256 nan 8.270 nan 0.000 0.434 350 A N 1.041 123.909 122.820 0.080 0.000 1.883 350 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 350 A C 2.020 179.641 177.584 0.062 0.000 1.186 350 A CA 1.206 53.280 52.037 0.061 0.000 0.624 350 A CB -0.449 18.579 19.000 0.047 0.000 0.822 350 A HN 0.114 nan 8.150 nan 0.000 0.444 351 L N -1.949 119.321 121.223 0.078 0.000 2.093 351 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 351 L C 2.306 179.222 176.870 0.077 0.000 1.085 351 L CA 1.766 56.646 54.840 0.067 0.000 0.755 351 L CB -1.433 40.678 42.059 0.087 0.000 0.904 351 L HN 0.603 nan 8.230 nan 0.000 0.435 352 Y N 0.704 121.005 120.300 0.001 0.000 2.133 352 Y HA -0.234 4.316 4.550 -0.000 0.000 0.287 352 Y C 2.390 178.289 175.900 -0.002 0.000 1.134 352 Y CA 1.831 59.932 58.100 0.002 0.000 1.133 352 Y CB -0.152 38.313 38.460 0.008 0.000 0.987 352 Y HN 0.255 nan 8.280 nan 0.000 0.502 353 D N 0.069 120.503 120.400 0.056 0.000 2.117 353 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 353 D C 2.273 178.523 176.300 -0.082 0.000 0.987 353 D CA 1.547 55.530 54.000 -0.029 0.000 0.829 353 D CB -0.723 40.106 40.800 0.048 0.000 0.961 353 D HN 0.458 nan 8.370 nan 0.000 0.460 354 A N 0.259 123.047 122.820 -0.053 0.000 1.978 354 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 354 A C 2.310 179.827 177.584 -0.111 0.000 1.170 354 A CA 1.956 53.952 52.037 -0.068 0.000 0.636 354 A CB -0.737 18.231 19.000 -0.053 0.000 0.810 354 A HN 0.229 nan 8.150 nan 0.000 0.448 355 T N -0.480 113.982 114.554 -0.154 0.000 2.942 355 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 355 T C 1.915 176.516 174.700 -0.164 0.000 1.062 355 T CA 1.423 63.412 62.100 -0.185 0.000 1.139 355 T CB -0.074 68.673 68.868 -0.202 0.000 0.883 355 T HN 0.525 nan 8.240 nan 0.000 0.468 356 K N 0.781 121.047 120.400 -0.222 0.000 2.002 356 K HA 0.033 4.353 4.320 -0.000 0.000 0.209 356 K C 2.213 178.758 176.600 -0.092 0.000 1.048 356 K CA 1.041 57.221 56.287 -0.178 0.000 0.930 356 K CB -0.379 31.997 32.500 -0.207 0.000 0.714 356 K HN 0.250 nan 8.250 nan 0.000 0.438 357 L N 0.555 121.731 121.223 -0.078 0.000 1.943 357 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 357 L C 2.428 179.276 176.870 -0.036 0.000 1.074 357 L CA 1.287 56.099 54.840 -0.046 0.000 0.759 357 L CB -0.795 41.241 42.059 -0.038 0.000 0.888 357 L HN 0.011 nan 8.230 nan 0.000 0.433 358 V N -1.078 118.808 119.914 -0.046 0.000 2.343 358 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 358 V C 2.487 178.576 176.094 -0.008 0.000 1.051 358 V CA 2.024 64.304 62.300 -0.034 0.000 1.036 358 V CB -0.420 31.369 31.823 -0.056 0.000 0.654 358 V HN 0.435 nan 8.190 nan 0.000 0.451 359 S N -0.245 115.453 115.700 -0.004 0.000 2.607 359 S HA 0.149 4.619 4.470 -0.000 0.000 0.224 359 S C 1.421 176.035 174.600 0.024 0.000 0.969 359 S CA 0.629 58.856 58.200 0.045 0.000 0.927 359 S CB -0.776 62.476 63.200 0.088 0.000 0.772 359 S HN 1.077 nan 8.310 nan 0.000 0.533 360 G N 1.826 110.627 108.800 0.002 0.000 2.371 360 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.299 360 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.299 360 G C 0.025 174.923 174.900 -0.003 0.000 1.014 360 G CA 0.271 45.371 45.100 -0.001 0.000 1.097 360 G HN 0.560 nan 8.290 nan 0.000 0.512 361 R N -0.379 120.112 120.500 -0.015 0.000 2.797 361 R HA 0.182 4.522 4.340 -0.000 0.000 0.230 361 R C -3.074 173.205 176.300 -0.035 0.000 1.591 361 R CA -1.325 54.764 56.100 -0.017 0.000 1.501 361 R CB 1.705 31.999 30.300 -0.009 0.000 1.524 361 R HN 0.157 nan 8.270 nan 0.000 0.711 362 P HA 0.230 nan 4.420 nan 0.000 0.276 362 P C 0.287 177.583 177.300 -0.008 0.000 1.253 362 P CA 0.573 63.654 63.100 -0.031 0.000 0.766 362 P CB 1.441 33.131 31.700 -0.017 0.000 0.845 363 G N 3.764 112.565 108.800 0.002 0.000 2.341 363 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.196 363 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.196 363 G C 0.704 175.634 174.900 0.050 0.000 1.231 363 G CA -0.037 45.085 45.100 0.038 0.000 1.155 363 G HN 0.408 nan 8.290 nan 0.000 0.529 364 E N 1.212 121.441 120.200 0.049 0.000 2.333 364 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 364 E C 1.742 178.364 176.600 0.037 0.000 1.007 364 E CA 1.940 58.371 56.400 0.052 0.000 0.845 364 E CB -0.549 29.174 29.700 0.039 0.000 0.766 364 E HN 0.847 nan 8.360 nan 0.000 0.507 365 E N 1.426 121.638 120.200 0.020 0.000 2.118 365 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 365 E C 2.410 179.015 176.600 0.009 0.000 0.992 365 E CA 1.974 58.380 56.400 0.011 0.000 0.804 365 E CB -0.563 29.139 29.700 0.003 0.000 0.741 365 E HN 0.358 nan 8.360 nan 0.000 0.458 366 V N 0.532 120.444 119.914 -0.003 0.000 2.324 366 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 366 V C 2.082 178.194 176.094 0.030 0.000 1.060 366 V CA 1.617 63.910 62.300 -0.012 0.000 1.042 366 V CB -0.640 31.119 31.823 -0.106 0.000 0.650 366 V HN 0.044 nan 8.190 nan 0.000 0.450 367 K N 0.397 120.829 120.400 0.054 0.000 2.207 367 K HA -0.283 4.037 4.320 -0.000 0.000 0.208 367 K C 2.239 178.855 176.600 0.027 0.000 1.046 367 K CA 2.465 58.785 56.287 0.055 0.000 0.929 367 K CB -0.458 32.072 32.500 0.050 0.000 0.720 367 K HN 0.733 nan 8.250 nan 0.000 0.463 368 Q N -0.796 119.013 119.800 0.015 0.000 2.378 368 Q HA -0.075 4.265 4.340 -0.000 0.000 0.205 368 Q C 1.826 177.819 176.000 -0.012 0.000 0.954 368 Q CA 0.699 56.500 55.803 -0.002 0.000 0.901 368 Q CB 0.192 28.928 28.738 -0.004 0.000 0.981 368 Q HN 0.085 nan 8.270 nan 0.000 0.483 369 R N -0.605 119.897 120.500 0.003 0.000 2.310 369 R HA 0.174 4.514 4.340 -0.000 0.000 0.199 369 R C -0.454 175.862 176.300 0.027 0.000 0.891 369 R CA 0.110 56.205 56.100 -0.008 0.000 1.060 369 R CB 0.576 30.893 30.300 0.029 0.000 1.188 369 R HN 0.037 nan 8.270 nan 0.000 0.607 370 L N 1.078 122.342 121.223 0.069 0.000 2.329 370 L HA 0.601 4.941 4.340 -0.000 0.000 0.279 370 L C -1.283 175.627 176.870 0.067 0.000 1.014 370 L CA -0.734 54.169 54.840 0.105 0.000 0.814 370 L CB 1.594 43.726 42.059 0.122 0.000 1.257 370 L HN -0.050 nan 8.230 nan 0.000 0.424 371 R N 2.308 122.834 120.500 0.045 0.000 2.513 371 R HA 0.613 4.953 4.340 -0.000 0.000 0.301 371 R C -1.332 174.947 176.300 -0.034 0.000 0.968 371 R CA -0.279 55.820 56.100 -0.002 0.000 0.872 371 R CB 1.503 31.784 30.300 -0.032 0.000 1.177 371 R HN 0.714 nan 8.270 nan 0.000 0.444 372 T N 2.896 117.407 114.554 -0.071 0.000 2.749 372 T HA 0.770 5.120 4.350 -0.000 0.000 0.287 372 T C -0.300 174.149 174.700 -0.418 0.000 0.970 372 T CA 0.168 62.165 62.100 -0.171 0.000 0.980 372 T CB 1.320 70.122 68.868 -0.110 0.000 0.924 372 T HN 0.761 nan 8.240 nan 0.000 0.456 373 G N 1.947 110.368 108.800 -0.632 0.000 2.494 373 G HA2 0.475 4.435 3.960 -0.000 0.000 0.308 373 G HA3 0.475 4.435 3.960 -0.000 0.000 0.308 373 G C -1.052 173.477 174.900 -0.618 0.000 1.263 373 G CA -0.671 43.875 45.100 -0.923 0.000 0.840 373 G HN 0.515 nan 8.290 nan 0.000 0.479 374 T N 0.532 114.962 114.554 -0.207 0.000 2.817 374 T HA 0.542 4.892 4.350 -0.000 0.000 0.293 374 T C 0.017 174.612 174.700 -0.175 0.000 0.964 374 T CA -0.097 61.955 62.100 -0.079 0.000 1.085 374 T CB 1.384 70.267 68.868 0.024 0.000 0.921 374 T HN 0.465 nan 8.240 nan 0.000 0.502 375 V N 3.965 123.750 119.914 -0.215 0.000 2.547 375 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 375 V C 0.002 175.999 176.094 -0.162 0.000 1.040 375 V CA -0.767 61.424 62.300 -0.182 0.000 0.913 375 V CB 1.956 33.709 31.823 -0.116 0.000 0.992 375 V HN 0.647 nan 8.190 nan 0.000 0.449 376 V N 3.185 122.945 119.914 -0.257 0.000 2.398 376 V HA 0.414 4.534 4.120 -0.000 0.000 0.286 376 V C 0.235 176.202 176.094 -0.212 0.000 1.026 376 V CA -0.236 61.885 62.300 -0.299 0.000 0.868 376 V CB 1.745 33.189 31.823 -0.632 0.000 0.982 376 V HN 0.967 nan 8.190 nan 0.000 0.443 377 T N 3.704 118.182 114.554 -0.126 0.000 2.758 377 T HA 0.500 4.850 4.350 -0.000 0.000 0.285 377 T C -0.051 174.571 174.700 -0.131 0.000 0.981 377 T CA -0.162 61.874 62.100 -0.106 0.000 0.965 377 T CB 1.402 70.226 68.868 -0.073 0.000 0.927 377 T HN 0.788 nan 8.240 nan 0.000 0.448 378 T N 1.028 115.516 114.554 -0.110 0.000 2.924 378 T HA 0.410 4.760 4.350 -0.000 0.000 0.291 378 T C -0.001 174.684 174.700 -0.025 0.000 1.045 378 T CA -0.853 61.201 62.100 -0.078 0.000 1.015 378 T CB 1.279 70.134 68.868 -0.022 0.000 1.103 378 T HN 0.608 nan 8.240 nan 0.000 0.496 379 D N 1.138 121.533 120.400 -0.008 0.000 2.363 379 D HA 0.141 4.781 4.640 -0.000 0.000 0.214 379 D C -0.061 176.304 176.300 0.107 0.000 1.093 379 D CA -0.173 53.854 54.000 0.045 0.000 0.837 379 D CB 0.214 41.051 40.800 0.063 0.000 0.948 379 D HN 0.382 nan 8.370 nan 0.000 0.507 380 D N 0.813 121.302 120.400 0.149 0.000 2.472 380 D HA 0.156 4.796 4.640 -0.000 0.000 0.234 380 D C 1.249 177.712 176.300 0.271 0.000 1.088 380 D CA -0.583 53.535 54.000 0.197 0.000 0.882 380 D CB 1.116 42.052 40.800 0.228 0.000 1.037 380 D HN -0.081 nan 8.370 nan 0.000 0.520 381 R N 2.979 123.597 120.500 0.196 0.000 2.105 381 R HA -0.037 4.303 4.340 -0.000 0.000 0.239 381 R C 0.421 176.802 176.300 0.135 0.000 1.135 381 R CA 1.186 57.408 56.100 0.203 0.000 0.967 381 R CB 0.041 30.410 30.300 0.116 0.000 0.861 381 R HN 0.223 nan 8.270 nan 0.000 0.442 382 N N 1.443 120.180 118.700 0.062 0.000 2.597 382 N HA -0.039 4.701 4.740 -0.000 0.000 0.269 382 N C 0.367 175.837 175.510 -0.067 0.000 1.204 382 N CA 0.220 53.227 53.050 -0.072 0.000 0.947 382 N CB -0.068 38.393 38.487 -0.043 0.000 1.258 382 N HN 0.483 nan 8.380 nan 0.000 0.508 383 W N 0.709 122.053 121.300 0.072 0.000 2.387 383 W HA -0.108 4.551 4.660 -0.000 0.000 0.272 383 W C 0.438 177.008 176.519 0.086 0.000 1.224 383 W CA 0.321 57.721 57.345 0.092 0.000 1.210 383 W CB -0.599 28.951 29.460 0.150 0.000 1.125 383 W HN 0.058 nan 8.180 nan 0.000 0.572 384 E N 1.477 121.173 120.200 -0.839 0.000 2.209 384 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 384 E C 2.186 178.643 176.600 -0.237 0.000 0.993 384 E CA 1.551 57.499 56.400 -0.754 0.000 0.819 384 E CB -0.718 28.456 29.700 -0.876 0.000 0.745 384 E HN 0.324 nan 8.360 nan 0.000 0.477 385 L N 0.017 121.149 121.223 -0.151 0.000 2.551 385 L HA 0.008 4.348 4.340 -0.000 0.000 0.228 385 L C 1.096 177.967 176.870 0.003 0.000 1.153 385 L CA 0.736 55.539 54.840 -0.062 0.000 0.851 385 L CB -0.033 41.997 42.059 -0.048 0.000 0.959 385 L HN 0.012 nan 8.230 nan 0.000 0.451 386 R N -2.241 118.292 120.500 0.055 0.000 2.668 386 R HA 0.052 4.392 4.340 -0.000 0.000 0.435 386 R C 0.855 177.213 176.300 0.096 0.000 1.059 386 R CA -0.248 55.893 56.100 0.069 0.000 1.073 386 R CB 0.159 30.504 30.300 0.076 0.000 1.401 386 R HN 0.007 nan 8.270 nan 0.000 0.590 387 Y N 2.479 122.781 120.300 0.003 0.000 2.069 387 Y HA -0.371 4.179 4.550 -0.000 0.000 0.278 387 Y C 2.416 178.262 175.900 -0.090 0.000 1.175 387 Y CA 2.315 60.411 58.100 -0.006 0.000 1.134 387 Y CB -0.344 38.115 38.460 -0.000 0.000 0.965 387 Y HN 0.173 nan 8.280 nan 0.000 0.498 388 S N 0.343 115.888 115.700 -0.257 0.000 2.380 388 S HA -0.328 4.142 4.470 -0.000 0.000 0.229 388 S C 2.246 176.657 174.600 -0.314 0.000 1.043 388 S CA 1.671 59.668 58.200 -0.339 0.000 1.038 388 S CB -1.460 61.658 63.200 -0.137 0.000 0.872 388 S HN 0.589 nan 8.310 nan 0.000 0.456 389 A N 1.112 123.816 122.820 -0.193 0.000 2.015 389 A HA 0.083 4.403 4.320 -0.000 0.000 0.219 389 A C 2.330 179.801 177.584 -0.189 0.000 1.163 389 A CA 1.614 53.566 52.037 -0.141 0.000 0.646 389 A CB -0.687 18.278 19.000 -0.059 0.000 0.806 389 A HN 0.583 nan 8.150 nan 0.000 0.448 390 S N -0.776 114.731 115.700 -0.321 0.000 2.483 390 S HA 0.283 4.753 4.470 -0.000 0.000 0.221 390 S C 2.211 176.395 174.600 -0.692 0.000 1.030 390 S CA 0.490 58.420 58.200 -0.449 0.000 0.925 390 S CB -0.126 62.732 63.200 -0.570 0.000 0.795 390 S HN 0.755 nan 8.310 nan 0.000 0.511 391 A N 2.301 124.608 122.820 -0.854 0.000 1.915 391 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 391 A C 2.092 179.522 177.584 -0.257 0.000 1.198 391 A CA 1.881 53.486 52.037 -0.721 0.000 0.647 391 A CB -0.968 17.519 19.000 -0.855 0.000 0.825 391 A HN 0.434 nan 8.150 nan 0.000 0.456 392 L N -0.421 120.685 121.223 -0.195 0.000 2.012 392 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 392 L C 2.486 179.362 176.870 0.010 0.000 1.073 392 L CA 2.354 57.153 54.840 -0.070 0.000 0.748 392 L CB -0.591 41.430 42.059 -0.063 0.000 0.891 392 L HN 0.394 nan 8.230 nan 0.000 0.431 393 R N -1.814 118.708 120.500 0.038 0.000 2.092 393 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 393 R C 2.186 178.633 176.300 0.245 0.000 1.119 393 R CA 1.422 57.598 56.100 0.127 0.000 0.970 393 R CB -0.440 29.950 30.300 0.150 0.000 0.864 393 R HN 0.266 nan 8.270 nan 0.000 0.440 394 F N 1.152 121.082 119.950 -0.032 0.000 2.126 394 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 394 F C 2.140 177.941 175.800 0.001 0.000 1.096 394 F CA 0.994 58.984 58.000 -0.016 0.000 1.255 394 F CB -0.987 38.027 39.000 0.025 0.000 0.997 394 F HN 0.157 nan 8.300 nan 0.000 0.479 395 N N -0.013 118.815 118.700 0.213 0.000 2.080 395 N HA -0.166 4.574 4.740 -0.000 0.000 0.189 395 N C 1.942 177.500 175.510 0.079 0.000 1.036 395 N CA 0.572 53.695 53.050 0.122 0.000 0.846 395 N CB -0.142 38.394 38.487 0.082 0.000 1.015 395 N HN 0.043 nan 8.380 nan 0.000 0.423 396 L N 1.334 122.597 121.223 0.067 0.000 2.081 396 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 396 L C 2.352 179.244 176.870 0.037 0.000 1.080 396 L CA 1.726 56.592 54.840 0.044 0.000 0.754 396 L CB -0.903 41.179 42.059 0.038 0.000 0.893 396 L HN 0.289 nan 8.230 nan 0.000 0.433 397 S N -1.751 113.975 115.700 0.043 0.000 2.575 397 S HA 0.033 4.503 4.470 -0.000 0.000 0.215 397 S C 0.750 175.358 174.600 0.014 0.000 0.966 397 S CA -0.397 57.813 58.200 0.017 0.000 0.911 397 S CB -0.034 63.163 63.200 -0.006 0.000 0.780 397 S HN 0.423 nan 8.310 nan 0.000 0.514 398 R N 0.442 120.960 120.500 0.030 0.000 3.525 398 R HA -0.118 4.222 4.340 -0.000 0.000 0.276 398 R C 0.339 176.635 176.300 -0.007 0.000 1.116 398 R CA 0.767 56.884 56.100 0.028 0.000 0.745 398 R CB -3.123 27.199 30.300 0.037 0.000 1.185 398 R HN 0.752 nan 8.270 nan 0.000 0.454 399 A N -0.043 122.752 122.820 -0.042 0.000 2.561 399 A HA 0.249 4.569 4.320 -0.000 0.000 0.234 399 A C 1.477 178.996 177.584 -0.109 0.000 1.055 399 A CA 0.609 52.558 52.037 -0.147 0.000 0.756 399 A CB 0.587 19.377 19.000 -0.349 0.000 0.986 399 A HN 0.144 nan 8.150 nan 0.000 0.505 400 V N 1.091 120.921 119.914 -0.141 0.000 3.484 400 V HA 0.499 4.618 4.120 -0.000 0.000 0.252 400 V C 0.876 176.906 176.094 -0.107 0.000 1.282 400 V CA 1.491 63.729 62.300 -0.103 0.000 1.104 400 V CB 0.124 31.875 31.823 -0.120 0.000 0.868 400 V HN 1.346 nan 8.190 nan 0.000 0.457 401 A N -0.339 122.385 122.820 -0.160 0.000 2.599 401 A HA 0.801 5.121 4.320 -0.000 0.000 0.290 401 A C -1.798 175.643 177.584 -0.238 0.000 1.101 401 A CA -0.357 51.594 52.037 -0.143 0.000 0.674 401 A CB 1.858 20.805 19.000 -0.088 0.000 1.277 401 A HN 0.125 nan 8.150 nan 0.000 0.419 402 I N 1.066 121.514 120.570 -0.204 0.000 2.619 402 I HA 0.585 4.755 4.170 -0.000 0.000 0.292 402 I C -1.697 174.348 176.117 -0.121 0.000 1.100 402 I CA -0.326 60.803 61.300 -0.286 0.000 1.043 402 I CB 1.804 39.481 38.000 -0.537 0.000 1.239 402 I HN 0.954 nan 8.210 nan 0.000 0.420 406 S N 1.426 117.084 115.700 -0.071 0.000 2.435 406 S HA -0.363 4.107 4.470 -0.000 0.000 0.250 406 S C 2.105 176.555 174.600 -0.251 0.000 1.065 406 S CA 2.296 60.484 58.200 -0.020 0.000 1.243 406 S CB -0.756 62.559 63.200 0.192 0.000 1.158 406 S HN 0.476 nan 8.310 nan 0.000 0.430 407 A N 0.769 123.423 122.820 -0.277 0.000 1.948 407 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 407 A C 2.333 179.652 177.584 -0.441 0.000 1.177 407 A CA 2.294 53.995 52.037 -0.560 0.000 0.636 407 A CB -1.367 17.504 19.000 -0.215 0.000 0.815 407 A HN 0.585 nan 8.150 nan 0.000 0.449 408 T N 0.408 114.791 114.554 -0.286 0.000 2.737 408 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 408 T C 1.800 176.349 174.700 -0.252 0.000 1.038 408 T CA 1.353 63.309 62.100 -0.240 0.000 1.144 408 T CB -0.277 68.469 68.868 -0.203 0.000 0.866 408 T HN 0.311 nan 8.240 nan 0.000 0.434 409 I N 1.891 122.298 120.570 -0.271 0.000 2.208 409 I HA -0.140 4.029 4.170 -0.000 0.000 0.245 409 I C 2.921 178.989 176.117 -0.082 0.000 1.097 409 I CA 1.238 62.405 61.300 -0.221 0.000 1.363 409 I CB -1.610 36.281 38.000 -0.182 0.000 1.051 409 I HN 0.203 nan 8.210 nan 0.000 0.413 410 A N 0.773 123.393 122.820 -0.333 0.000 1.898 410 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 410 A C 2.568 179.684 177.584 -0.780 0.000 1.181 410 A CA 1.905 53.518 52.037 -0.706 0.000 0.620 410 A CB -0.778 17.627 19.000 -0.992 0.000 0.819 410 A HN 0.410 nan 8.150 nan 0.000 0.442 411 A N -1.229 121.297 122.820 -0.490 0.000 1.933 411 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 411 A C 2.129 179.617 177.584 -0.161 0.000 1.175 411 A CA 1.599 53.447 52.037 -0.315 0.000 0.628 411 A CB -0.420 18.427 19.000 -0.254 0.000 0.814 411 A HN 0.499 nan 8.150 nan 0.000 0.444 412 Q N -0.576 119.177 119.800 -0.078 0.000 2.079 412 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 412 Q C 2.251 178.425 176.000 0.289 0.000 0.974 412 Q CA 1.487 57.343 55.803 0.089 0.000 0.840 412 Q CB -0.881 28.023 28.738 0.277 0.000 0.898 412 Q HN 0.653 nan 8.270 nan 0.000 0.430 413 G N -0.095 108.924 108.800 0.365 0.000 2.440 413 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 413 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 413 G C 1.384 176.362 174.900 0.131 0.000 1.154 413 G CA 0.877 46.132 45.100 0.258 0.000 0.767 413 G HN 0.398 nan 8.290 nan 0.000 0.552 414 Y N 1.487 121.680 120.300 -0.178 0.000 2.145 414 Y HA -0.070 4.480 4.550 -0.000 0.000 0.286 414 Y C 3.038 178.884 175.900 -0.091 0.000 1.145 414 Y CA 1.880 59.955 58.100 -0.041 0.000 1.148 414 Y CB -0.128 38.246 38.460 -0.143 0.000 0.981 414 Y HN 0.034 nan 8.280 nan 0.000 0.507 415 R N -0.947 119.474 120.500 -0.130 0.000 2.096 415 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 415 R C 1.217 177.259 176.300 -0.430 0.000 1.127 415 R CA 1.554 57.419 56.100 -0.390 0.000 0.968 415 R CB -0.533 29.368 30.300 -0.664 0.000 0.861 415 R HN 0.345 nan 8.270 nan 0.000 0.440 416 F N 0.300 120.251 119.950 0.003 0.000 2.639 416 F HA 0.250 4.777 4.527 -0.000 0.000 0.300 416 F C 0.133 175.804 175.800 -0.214 0.000 1.109 416 F CA -0.662 57.302 58.000 -0.060 0.000 1.335 416 F CB 0.013 39.086 39.000 0.122 0.000 1.014 416 F HN -0.215 nan 8.300 nan 0.000 0.537 417 R N -0.211 120.245 120.500 -0.073 0.000 3.264 417 R HA -0.130 4.210 4.340 -0.000 0.000 0.251 417 R C -1.413 174.803 176.300 -0.139 0.000 0.971 417 R CA 0.082 56.118 56.100 -0.107 0.000 0.658 417 R CB -2.479 27.747 30.300 -0.124 0.000 1.095 417 R HN 0.063 nan 8.270 nan 0.000 0.443 418 V N 0.879 120.680 119.914 -0.187 0.000 2.376 418 V HA 0.364 4.484 4.120 -0.000 0.000 0.287 418 V C -1.932 173.964 176.094 -0.331 0.000 1.015 418 V CA -2.210 59.833 62.300 -0.429 0.000 0.834 418 V CB 2.254 33.471 31.823 -1.010 0.000 1.001 418 V HN 0.034 nan 8.190 nan 0.000 0.428 419 P HA 0.076 nan 4.420 nan 0.000 0.264 419 P C -1.289 175.873 177.300 -0.230 0.000 1.179 419 P CA 0.597 63.495 63.100 -0.337 0.000 0.763 419 P CB 0.059 31.534 31.700 -0.374 0.000 0.806 420 Y N 0.440 120.712 120.300 -0.047 0.000 2.644 420 Y HA 0.900 5.450 4.550 -0.000 0.000 0.338 420 Y C -0.207 175.796 175.900 0.172 0.000 1.119 420 Y CA -1.405 56.761 58.100 0.109 0.000 1.060 420 Y CB 1.008 39.602 38.460 0.223 0.000 1.294 420 Y HN 0.598 nan 8.280 nan 0.000 0.472 421 G N -0.263 108.783 108.800 0.409 0.000 2.632 421 G HA2 0.528 4.487 3.960 -0.000 0.000 0.292 421 G HA3 0.528 4.487 3.960 -0.000 0.000 0.292 421 G C -1.999 173.108 174.900 0.344 0.000 1.465 421 G CA -1.008 44.284 45.100 0.321 0.000 0.824 421 G HN 0.689 nan 8.290 nan 0.000 0.509 422 T N 0.535 115.277 114.554 0.313 0.000 2.881 422 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 422 T C -1.154 173.658 174.700 0.188 0.000 0.990 422 T CA -0.300 61.960 62.100 0.267 0.000 0.976 422 T CB 1.510 70.588 68.868 0.351 0.000 0.970 422 T HN 0.607 nan 8.240 nan 0.000 0.438 423 L N 5.072 126.402 121.223 0.179 0.000 2.427 423 L HA 0.594 4.934 4.340 -0.000 0.000 0.264 423 L C -1.231 175.821 176.870 0.302 0.000 0.989 423 L CA -0.439 54.512 54.840 0.185 0.000 0.865 423 L CB 0.441 42.586 42.059 0.143 0.000 1.209 423 L HN 0.582 nan 8.230 nan 0.000 0.430 424 L N 3.066 124.427 121.223 0.230 0.000 2.400 424 L HA 0.617 4.957 4.340 -0.000 0.000 0.264 424 L C -0.423 176.540 176.870 0.154 0.000 1.061 424 L CA -0.822 54.164 54.840 0.242 0.000 0.799 424 L CB 1.778 43.914 42.059 0.130 0.000 1.240 424 L HN 0.604 nan 8.230 nan 0.000 0.461 425 C N 1.225 120.601 119.300 0.128 0.000 2.396 425 C HA 0.531 4.991 4.460 -0.000 0.000 0.321 425 C C 0.053 175.068 174.990 0.042 0.000 1.233 425 C CA -0.609 58.437 59.018 0.045 0.000 1.440 425 C CB 0.835 28.589 27.740 0.023 0.000 2.110 425 C HN 0.495 nan 8.230 nan 0.000 0.473 426 V N 7.059 126.950 119.914 -0.039 0.000 2.458 426 V HA 0.124 4.244 4.120 -0.000 0.000 0.287 426 V C 1.381 177.396 176.094 -0.132 0.000 1.009 426 V CA 1.214 63.473 62.300 -0.068 0.000 1.091 426 V CB 0.736 32.515 31.823 -0.074 0.000 0.960 426 V HN 1.056 nan 8.190 nan 0.000 0.476 427 S N 1.947 117.490 115.700 -0.262 0.000 2.540 427 S HA 0.185 4.655 4.470 -0.000 0.000 0.218 427 S C 0.261 174.723 174.600 -0.229 0.000 0.977 427 S CA 0.111 58.010 58.200 -0.503 0.000 0.918 427 S CB -0.006 62.567 63.200 -1.045 0.000 0.806 427 S HN 0.946 nan 8.310 nan 0.000 0.496 428 D N -0.113 120.216 120.400 -0.118 0.000 2.808 428 D HA 0.171 4.811 4.640 -0.000 0.000 0.294 428 D C -1.876 174.421 176.300 -0.004 0.000 1.278 428 D CA -0.636 53.330 54.000 -0.057 0.000 0.756 428 D CB 0.536 41.299 40.800 -0.061 0.000 1.271 428 D HN 0.094 nan 8.370 nan 0.000 0.425 429 K N 0.645 121.057 120.400 0.020 0.000 2.687 429 K HA 0.346 4.666 4.320 -0.000 0.000 0.197 429 K C -2.215 174.445 176.600 0.100 0.000 1.049 429 K CA -1.536 54.801 56.287 0.083 0.000 1.030 429 K CB 2.324 34.861 32.500 0.060 0.000 1.261 429 K HN 0.031 nan 8.250 nan 0.000 0.565 430 P HA -0.192 nan 4.420 nan 0.000 0.216 430 P C 0.758 178.021 177.300 -0.061 0.000 1.153 430 P CA 0.949 64.064 63.100 0.024 0.000 0.858 430 P CB 0.272 32.058 31.700 0.144 0.000 0.789 431 L N -2.602 118.602 121.223 -0.032 0.000 2.599 431 L HA -0.005 4.335 4.340 -0.000 0.000 0.230 431 L C 0.449 176.994 176.870 -0.543 0.000 1.141 431 L CA 1.352 56.003 54.840 -0.314 0.000 0.877 431 L CB -1.629 40.224 42.059 -0.343 0.000 1.009 431 L HN 0.118 nan 8.230 nan 0.000 0.447 432 H N -1.691 117.345 119.070 -0.056 0.000 2.674 432 H HA 0.472 5.028 4.556 -0.000 0.000 0.235 432 H C 1.351 176.647 175.328 -0.052 0.000 1.330 432 H CA -0.041 55.978 56.048 -0.049 0.000 1.052 432 H CB 0.227 29.966 29.762 -0.038 0.000 1.954 432 H HN 0.072 nan 8.280 nan 0.000 0.566 433 G N 0.935 109.728 108.800 -0.011 0.000 2.212 433 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.267 433 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.267 433 G C 0.353 175.244 174.900 -0.016 0.000 1.002 433 G CA 0.511 45.597 45.100 -0.023 0.000 0.729 433 G HN 0.572 nan 8.290 nan 0.000 0.517 434 E N -0.127 120.070 120.200 -0.005 0.000 3.659 434 E HA 0.339 4.689 4.350 -0.000 0.000 0.217 434 E C 0.482 177.067 176.600 -0.025 0.000 1.141 434 E CA -0.532 55.859 56.400 -0.015 0.000 1.340 434 E CB 0.377 30.069 29.700 -0.014 0.000 1.295 434 E HN 0.519 nan 8.360 nan 0.000 0.434 435 I N 2.142 122.686 120.570 -0.043 0.000 2.436 435 I HA 0.081 4.251 4.170 -0.000 0.000 0.289 435 I C 0.609 176.692 176.117 -0.056 0.000 1.083 435 I CA 0.246 61.510 61.300 -0.059 0.000 1.372 435 I CB 0.086 38.032 38.000 -0.089 0.000 1.408 435 I HN -0.030 nan 8.210 nan 0.000 0.516 436 K N 6.819 127.182 120.400 -0.062 0.000 2.316 436 K HA 0.785 5.105 4.320 -0.000 0.000 0.234 436 K C -0.883 175.658 176.600 -0.097 0.000 1.054 436 K CA -0.966 55.280 56.287 -0.069 0.000 0.879 436 K CB 2.444 34.904 32.500 -0.067 0.000 1.252 436 K HN 0.395 nan 8.250 nan 0.000 0.471 437 L N 1.455 122.613 121.223 -0.108 0.000 2.470 437 L HA 0.303 4.643 4.340 -0.000 0.000 0.268 437 L C -2.520 174.240 176.870 -0.182 0.000 0.964 437 L CA -1.988 52.772 54.840 -0.135 0.000 0.839 437 L CB 2.240 44.250 42.059 -0.081 0.000 1.276 437 L HN 0.242 nan 8.230 nan 0.000 0.403 438 P HA 0.086 nan 4.420 nan 0.000 0.250 438 P C 0.744 177.930 177.300 -0.189 0.000 1.161 438 P CA 0.911 63.719 63.100 -0.487 0.000 0.863 438 P CB 0.418 31.653 31.700 -0.774 0.000 0.827 439 G N 2.225 111.002 108.800 -0.038 0.000 2.705 439 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.193 439 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.193 439 G C 0.171 175.099 174.900 0.046 0.000 1.015 439 G CA -0.501 44.653 45.100 0.089 0.000 0.743 439 G HN 0.482 nan 8.290 nan 0.000 0.476 440 Q N 0.379 120.185 119.800 0.010 0.000 2.396 440 Q HA 0.614 4.954 4.340 -0.000 0.000 0.221 440 Q C 0.707 176.723 176.000 0.027 0.000 1.025 440 Q CA 0.011 55.820 55.803 0.009 0.000 0.946 440 Q CB 0.917 29.650 28.738 -0.010 0.000 1.224 440 Q HN 0.655 nan 8.270 nan 0.000 0.539 441 A N 2.454 125.287 122.820 0.022 0.000 2.535 441 A HA -0.001 4.319 4.320 -0.000 0.000 0.290 441 A C -0.068 177.546 177.584 0.049 0.000 1.270 441 A CA 0.189 52.243 52.037 0.028 0.000 0.937 441 A CB -0.604 18.408 19.000 0.019 0.000 1.096 441 A HN 0.522 nan 8.150 nan 0.000 0.534 442 N N 1.968 120.710 118.700 0.070 0.000 2.813 442 N HA 0.110 4.850 4.740 -0.000 0.000 0.282 442 N C 1.043 176.623 175.510 0.116 0.000 1.748 442 N CA -0.320 52.802 53.050 0.120 0.000 0.860 442 N CB 0.242 38.822 38.487 0.156 0.000 1.204 442 N HN 0.754 nan 8.380 nan 0.000 0.490 443 R N 0.352 120.885 120.500 0.056 0.000 2.136 443 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 443 R C 0.905 177.115 176.300 -0.151 0.000 1.131 443 R CA 2.119 58.159 56.100 -0.099 0.000 0.937 443 R CB -0.242 29.914 30.300 -0.239 0.000 0.863 443 R HN 0.256 nan 8.270 nan 0.000 0.435 444 F N -0.880 119.084 119.950 0.023 0.000 2.269 444 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 444 F C 2.131 177.971 175.800 0.066 0.000 1.082 444 F CA 1.189 59.203 58.000 0.023 0.000 1.360 444 F CB -0.496 38.511 39.000 0.011 0.000 1.041 444 F HN 0.197 nan 8.300 nan 0.000 0.512 445 Y N 1.199 121.567 120.300 0.115 0.000 2.201 445 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 445 Y C 2.269 178.200 175.900 0.051 0.000 1.119 445 Y CA 1.112 59.255 58.100 0.072 0.000 1.127 445 Y CB -0.656 37.834 38.460 0.049 0.000 1.019 445 Y HN -0.111 nan 8.280 nan 0.000 0.514 446 E N 0.152 120.251 120.200 -0.170 0.000 2.114 446 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 446 E C 2.195 178.658 176.600 -0.228 0.000 1.008 446 E CA 1.422 57.673 56.400 -0.248 0.000 0.810 446 E CB -1.052 28.580 29.700 -0.113 0.000 0.739 446 E HN 0.578 nan 8.360 nan 0.000 0.456 447 G N -0.189 108.514 108.800 -0.163 0.000 2.956 447 G HA2 0.115 4.075 3.960 -0.000 0.000 0.207 447 G HA3 0.115 4.075 3.960 -0.000 0.000 0.207 447 G C 1.238 176.085 174.900 -0.088 0.000 1.162 447 G CA 0.613 45.632 45.100 -0.136 0.000 0.796 447 G HN 0.331 nan 8.290 nan 0.000 0.527 448 A N -0.150 122.613 122.820 -0.094 0.000 2.287 448 A HA 0.406 4.726 4.320 -0.000 0.000 0.214 448 A C 2.009 179.615 177.584 0.035 0.000 1.228 448 A CA -0.171 51.875 52.037 0.015 0.000 0.939 448 A CB 0.130 19.169 19.000 0.064 0.000 0.992 448 A HN 0.256 nan 8.150 nan 0.000 0.502 449 I N -0.052 120.404 120.570 -0.189 0.000 2.194 449 I HA -0.268 3.902 4.170 -0.000 0.000 0.246 449 I C 2.760 178.781 176.117 -0.160 0.000 1.093 449 I CA 1.775 62.881 61.300 -0.322 0.000 1.355 449 I CB -0.155 37.465 38.000 -0.632 0.000 1.046 449 I HN 0.427 nan 8.210 nan 0.000 0.413 450 S N 0.133 115.764 115.700 -0.115 0.000 2.368 450 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 450 S C 2.036 176.633 174.600 -0.005 0.000 1.029 450 S CA 1.626 59.785 58.200 -0.068 0.000 0.988 450 S CB -0.200 62.961 63.200 -0.065 0.000 0.838 450 S HN 0.463 nan 8.310 nan 0.000 0.462 451 E N -0.161 120.071 120.200 0.053 0.000 2.051 451 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 451 E C 1.986 178.667 176.600 0.136 0.000 0.991 451 E CA 1.276 57.731 56.400 0.092 0.000 0.799 451 E CB -0.456 29.341 29.700 0.163 0.000 0.748 451 E HN 0.807 nan 8.360 nan 0.000 0.449 452 H N -0.214 118.933 119.070 0.129 0.000 2.289 452 H HA -0.182 4.374 4.556 -0.000 0.000 0.296 452 H C 2.403 177.777 175.328 0.076 0.000 1.091 452 H CA 1.351 57.479 56.048 0.134 0.000 1.274 452 H CB 0.066 30.085 29.762 0.428 0.000 1.364 452 H HN 0.217 nan 8.280 nan 0.000 0.490 453 L N 1.086 122.384 121.223 0.125 0.000 2.083 453 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 453 L C 2.258 179.049 176.870 -0.132 0.000 1.083 453 L CA 1.461 56.297 54.840 -0.007 0.000 0.752 453 L CB -0.563 41.524 42.059 0.046 0.000 0.899 453 L HN 0.319 nan 8.230 nan 0.000 0.433 454 Q N -0.341 119.373 119.800 -0.144 0.000 2.170 454 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 454 Q C 2.358 178.262 176.000 -0.160 0.000 0.976 454 Q CA 1.862 57.531 55.803 -0.223 0.000 0.858 454 Q CB -0.301 28.334 28.738 -0.170 0.000 0.907 454 Q HN 0.615 nan 8.270 nan 0.000 0.433 455 I N -0.046 120.457 120.570 -0.112 0.000 2.179 455 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 455 I C 2.284 178.342 176.117 -0.099 0.000 1.088 455 I CA 1.253 62.482 61.300 -0.118 0.000 1.357 455 I CB -0.621 37.273 38.000 -0.176 0.000 1.051 455 I HN 0.212 nan 8.210 nan 0.000 0.409 456 G N 1.161 109.901 108.800 -0.100 0.000 2.418 456 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 456 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 456 G C 1.697 176.543 174.900 -0.090 0.000 1.158 456 G CA 0.668 45.715 45.100 -0.088 0.000 0.771 456 G HN 0.317 nan 8.290 nan 0.000 0.545 457 I N 0.127 120.607 120.570 -0.151 0.000 2.226 457 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 457 I C 2.819 178.872 176.117 -0.106 0.000 1.100 457 I CA 1.176 62.374 61.300 -0.170 0.000 1.374 457 I CB -0.143 37.601 38.000 -0.427 0.000 1.057 457 I HN 0.079 nan 8.210 nan 0.000 0.413 458 R N 1.587 122.022 120.500 -0.108 0.000 2.092 458 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 458 R C 2.194 178.468 176.300 -0.044 0.000 1.119 458 R CA 1.710 57.772 56.100 -0.064 0.000 0.970 458 R CB -0.659 29.602 30.300 -0.064 0.000 0.864 458 R HN 0.344 nan 8.270 nan 0.000 0.440 459 A N 0.481 123.277 122.820 -0.040 0.000 1.902 459 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 459 A C 2.277 179.854 177.584 -0.011 0.000 1.181 459 A CA 1.651 53.681 52.037 -0.012 0.000 0.623 459 A CB -0.604 18.398 19.000 0.004 0.000 0.818 459 A HN 0.368 nan 8.150 nan 0.000 0.443 460 I N -0.199 120.356 120.570 -0.024 0.000 2.226 460 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 460 I C 1.917 177.922 176.117 -0.185 0.000 1.100 460 I CA 1.496 62.755 61.300 -0.068 0.000 1.374 460 I CB -0.516 37.459 38.000 -0.042 0.000 1.057 460 I HN 0.257 nan 8.210 nan 0.000 0.413 461 D N 0.987 121.321 120.400 -0.111 0.000 2.104 461 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 461 D C 2.343 178.592 176.300 -0.085 0.000 0.994 461 D CA 1.284 55.224 54.000 -0.100 0.000 0.830 461 D CB -0.378 40.406 40.800 -0.027 0.000 0.959 461 D HN 0.261 nan 8.370 nan 0.000 0.452 462 L N 0.138 121.334 121.223 -0.045 0.000 2.042 462 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 462 L C 2.551 179.418 176.870 -0.005 0.000 1.076 462 L CA 0.772 55.602 54.840 -0.016 0.000 0.749 462 L CB -0.360 41.700 42.059 0.002 0.000 0.893 462 L HN 0.067 nan 8.230 nan 0.000 0.432 463 L N -0.836 120.385 121.223 -0.004 0.000 2.093 463 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 463 L C 2.804 179.710 176.870 0.061 0.000 1.085 463 L CA 0.956 55.830 54.840 0.056 0.000 0.755 463 L CB -0.500 41.631 42.059 0.120 0.000 0.904 463 L HN 0.231 nan 8.230 nan 0.000 0.435 464 R N 0.464 120.889 120.500 -0.124 0.000 2.120 464 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 464 R C 2.229 178.526 176.300 -0.006 0.000 1.123 464 R CA 1.404 57.398 56.100 -0.176 0.000 0.975 464 R CB -0.148 29.835 30.300 -0.528 0.000 0.866 464 R HN 0.356 nan 8.270 nan 0.000 0.446 465 A N 0.866 123.675 122.820 -0.018 0.000 1.929 465 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 465 A C 1.731 179.339 177.584 0.041 0.000 1.176 465 A CA 0.947 52.990 52.037 0.010 0.000 0.628 465 A CB -0.223 18.776 19.000 -0.001 0.000 0.816 465 A HN 0.285 nan 8.150 nan 0.000 0.444 466 E N -0.252 119.981 120.200 0.056 0.000 2.396 466 E HA -0.007 4.343 4.350 -0.000 0.000 0.200 466 E C 1.623 178.278 176.600 0.092 0.000 1.023 466 E CA 0.692 57.134 56.400 0.070 0.000 0.857 466 E CB -0.680 29.067 29.700 0.078 0.000 0.775 466 E HN 0.659 nan 8.360 nan 0.000 0.525 467 G N 1.828 110.695 108.800 0.112 0.000 2.634 467 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.318 467 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.318 467 G C 0.742 175.734 174.900 0.154 0.000 1.207 467 G CA 0.794 45.968 45.100 0.124 0.000 0.987 467 G HN 0.332 nan 8.290 nan 0.000 0.547 468 D N 0.464 120.941 120.400 0.130 0.000 2.277 468 D HA 0.186 4.826 4.640 -0.000 0.000 0.208 468 D C 2.543 178.942 176.300 0.164 0.000 0.962 468 D CA 0.698 54.795 54.000 0.162 0.000 0.865 468 D CB -0.050 40.819 40.800 0.115 0.000 0.939 468 D HN 0.341 nan 8.370 nan 0.000 0.510 469 R N 0.252 120.820 120.500 0.115 0.000 2.139 469 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 469 R C 1.899 178.271 176.300 0.121 0.000 1.145 469 R CA 0.384 56.539 56.100 0.091 0.000 0.976 469 R CB -0.573 29.765 30.300 0.063 0.000 0.866 469 R HN 0.173 nan 8.270 nan 0.000 0.449 470 L N 0.213 121.538 121.223 0.170 0.000 1.991 470 L HA -0.203 4.137 4.340 -0.000 0.000 0.221 470 L C 0.041 176.985 176.870 0.123 0.000 1.079 470 L CA 1.900 56.839 54.840 0.164 0.000 0.778 470 L CB -0.638 41.578 42.059 0.261 0.000 0.893 470 L HN 0.204 nan 8.230 nan 0.000 0.437 471 H N -0.326 118.806 119.070 0.103 0.000 2.722 471 H HA 0.478 5.034 4.556 -0.000 0.000 0.328 471 H C 0.467 175.842 175.328 0.078 0.000 1.067 471 H CA 0.167 56.286 56.048 0.118 0.000 1.447 471 H CB 0.570 30.497 29.762 0.274 0.000 1.469 471 H HN 0.459 nan 8.280 nan 0.000 0.544 472 S N 2.054 117.816 115.700 0.102 0.000 2.810 472 S HA 0.471 4.941 4.470 -0.000 0.000 0.315 472 S C 0.744 175.367 174.600 0.038 0.000 1.138 472 S CA -1.168 57.060 58.200 0.047 0.000 0.889 472 S CB 1.923 65.127 63.200 0.007 0.000 1.236 472 S HN 0.647 nan 8.310 nan 0.000 0.548 473 R N 0.267 120.770 120.500 0.004 0.000 2.310 473 R HA 0.211 4.551 4.340 -0.000 0.000 0.202 473 R C 1.263 177.554 176.300 -0.014 0.000 0.933 473 R CA 0.042 56.136 56.100 -0.010 0.000 1.054 473 R CB -0.169 30.110 30.300 -0.036 0.000 0.985 473 R HN 0.595 nan 8.270 nan 0.000 0.489 474 K N 0.521 120.920 120.400 -0.002 0.000 2.360 474 K HA -0.083 4.237 4.320 -0.000 0.000 0.201 474 K C 1.233 177.844 176.600 0.017 0.000 1.046 474 K CA 0.918 57.215 56.287 0.016 0.000 0.945 474 K CB 0.128 32.644 32.500 0.027 0.000 0.750 474 K HN 0.243 nan 8.250 nan 0.000 0.464 475 L N 0.206 121.418 121.223 -0.019 0.000 2.693 475 L HA 0.132 4.472 4.340 -0.000 0.000 0.235 475 L C 0.407 177.217 176.870 -0.100 0.000 1.127 475 L CA -0.270 54.518 54.840 -0.087 0.000 0.914 475 L CB 0.187 42.204 42.059 -0.069 0.000 1.193 475 L HN 0.004 nan 8.230 nan 0.000 0.502 476 R N 1.094 121.563 120.500 -0.051 0.000 2.590 476 R HA 0.168 4.508 4.340 -0.000 0.000 0.274 476 R C 0.490 176.751 176.300 -0.065 0.000 1.061 476 R CA 0.160 56.235 56.100 -0.042 0.000 1.081 476 R CB 0.674 30.944 30.300 -0.050 0.000 0.984 476 R HN 0.093 nan 8.270 nan 0.000 0.448 477 T N -1.478 113.065 114.554 -0.017 0.000 2.910 477 T HA 0.264 4.614 4.350 -0.000 0.000 0.279 477 T C 0.960 175.694 174.700 0.056 0.000 0.989 477 T CA -0.739 61.398 62.100 0.062 0.000 0.968 477 T CB 0.481 69.412 68.868 0.106 0.000 1.135 477 T HN 0.344 nan 8.240 nan 0.000 0.562 478 F N 1.537 121.505 119.950 0.031 0.000 2.186 478 F HA 0.068 4.595 4.527 -0.000 0.000 0.299 478 F C 1.907 177.746 175.800 0.065 0.000 1.090 478 F CA 0.972 59.002 58.000 0.050 0.000 1.307 478 F CB -0.720 38.313 39.000 0.055 0.000 1.019 478 F HN 0.646 nan 8.300 nan 0.000 0.489 479 N N -0.204 118.645 118.700 0.248 0.000 2.376 479 N HA 0.046 4.786 4.740 -0.000 0.000 0.249 479 N C -0.285 175.283 175.510 0.096 0.000 1.140 479 N CA -0.166 52.990 53.050 0.177 0.000 0.870 479 N CB -0.537 38.046 38.487 0.160 0.000 1.124 479 N HN 0.006 nan 8.380 nan 0.000 0.505 480 E N 1.719 121.954 120.200 0.059 0.000 2.558 480 E HA 0.106 4.456 4.350 -0.000 0.000 0.255 480 E C -2.199 174.357 176.600 -0.074 0.000 0.968 480 E CA -1.343 55.058 56.400 0.001 0.000 0.939 480 E CB 0.309 30.008 29.700 -0.000 0.000 0.921 480 E HN 0.274 nan 8.360 nan 0.000 0.477 481 P HA 0.084 nan 4.420 nan 0.000 0.272 481 P C -2.198 174.929 177.300 -0.289 0.000 1.223 481 P CA -1.038 61.901 63.100 -0.269 0.000 0.784 481 P CB 0.552 31.961 31.700 -0.485 0.000 0.923 482 P HA -0.119 nan 4.420 nan 0.000 0.215 482 P C 0.152 177.399 177.300 -0.088 0.000 1.153 482 P CA 1.261 64.069 63.100 -0.486 0.000 0.853 482 P CB -0.102 31.092 31.700 -0.842 0.000 0.788 483 F N 0.032 119.813 119.950 -0.282 0.000 2.518 483 F HA 0.146 4.673 4.527 -0.000 0.000 0.359 483 F C 1.675 177.481 175.800 0.010 0.000 1.118 483 F CA -1.205 56.704 58.000 -0.152 0.000 1.287 483 F CB -0.620 38.339 39.000 -0.069 0.000 1.132 483 F HN -0.186 nan 8.300 nan 0.000 0.587 484 R N 0.000 120.585 120.500 0.142 0.000 2.786 484 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 484 R CA 0.000 56.152 56.100 0.087 0.000 0.921 484 R CB 0.000 30.013 30.300 -0.479 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535