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 2qde_1_D DATA FIRST_RESID 3 DATA SEQUENCE LKITKVEVIP ISTPMKXXXX XXXXXXXRID GVLLKLHSDE GLVGIADAGD DATA SEQUENCE TSSWYRGETQ DSITSMICDF FAPKVLLGED PTKIEKIVGR MDILTRDNNQ DATA SEQUENCE AKATVDFALH DLVGKRFGVP VYQLLGGKTI ERIPLGLVLG AGEPEAVAEE DATA SEQUENCE ALAVLREGFH FVKLKAGGPL KADIAMVAEV RRAVGDDVDL FIDINGAWTY DATA SEQUENCE DQALTTIRAL EKYNLSKIEQ PLPAWDLDGM ARLRGKVATP IYADESAQEL DATA SEQUENCE HDLLAIINKG AADGLMIKTQ KAGGLLKAQR WLTLARLANL PVICGCMVGS DATA SEQUENCE GLEASPAAHL LAANDWIAQF PQENAGPLHI HDCLNSRDID NDIALNVPRF DATA SEQUENCE EGGYLYPNDG PGLGIELNED LVRRLVTPGK AARVVT 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.870 176.870 0.001 0.000 1.165 3 L CA 0.000 54.842 54.840 0.003 0.000 0.813 3 L CB 0.000 42.068 42.059 0.015 0.000 0.961 4 K N 0.683 121.085 120.400 0.004 0.000 2.535 4 K HA 0.624 4.943 4.320 -0.000 0.000 0.250 4 K C -1.183 175.426 176.600 0.014 0.000 0.948 4 K CA -0.378 55.914 56.287 0.007 0.000 0.796 4 K CB 1.643 34.150 32.500 0.011 0.000 1.216 4 K HN 0.112 nan 8.250 nan 0.000 0.432 5 I N 4.308 124.886 120.570 0.014 0.000 2.436 5 I HA 0.058 4.228 4.170 -0.000 0.000 0.289 5 I C 1.032 177.172 176.117 0.038 0.000 1.083 5 I CA 0.112 61.429 61.300 0.029 0.000 1.372 5 I CB 1.123 39.139 38.000 0.026 0.000 1.408 5 I HN 0.840 nan 8.210 nan 0.000 0.516 6 T N 1.742 116.327 114.554 0.052 0.000 2.971 6 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 6 T C 0.454 175.175 174.700 0.035 0.000 1.022 6 T CA -0.157 61.965 62.100 0.037 0.000 0.980 6 T CB 0.396 69.280 68.868 0.027 0.000 1.044 6 T HN 0.508 nan 8.240 nan 0.000 0.501 7 K N 0.963 121.407 120.400 0.075 0.000 2.525 7 K HA 0.585 4.905 4.320 -0.000 0.000 0.254 7 K C -2.153 174.548 176.600 0.169 0.000 0.934 7 K CA -0.703 55.621 56.287 0.061 0.000 0.802 7 K CB 2.836 35.280 32.500 -0.093 0.000 1.295 7 K HN -0.012 nan 8.250 nan 0.000 0.433 8 V N 3.410 123.395 119.914 0.118 0.000 2.409 8 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 8 V C -0.603 175.565 176.094 0.125 0.000 1.020 8 V CA -0.665 61.715 62.300 0.133 0.000 0.848 8 V CB 1.349 33.229 31.823 0.096 0.000 0.990 8 V HN 0.813 nan 8.190 nan 0.000 0.430 9 E N 4.020 124.318 120.200 0.163 0.000 2.210 9 E HA 0.685 5.035 4.350 -0.000 0.000 0.266 9 E C -1.851 174.809 176.600 0.100 0.000 0.883 9 E CA -0.513 55.968 56.400 0.135 0.000 0.761 9 E CB 2.255 32.084 29.700 0.215 0.000 1.156 9 E HN 0.453 nan 8.360 nan 0.000 0.412 10 V N 6.329 126.287 119.914 0.074 0.000 2.444 10 V HA 0.420 4.540 4.120 -0.000 0.000 0.294 10 V C -0.295 175.831 176.094 0.053 0.000 1.022 10 V CA -0.610 61.728 62.300 0.063 0.000 0.850 10 V CB 1.434 33.290 31.823 0.055 0.000 0.992 10 V HN 0.644 nan 8.190 nan 0.000 0.426 11 I N 7.388 127.990 120.570 0.053 0.000 2.362 11 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 11 I C -2.422 173.719 176.117 0.040 0.000 0.994 11 I CA -2.039 59.288 61.300 0.045 0.000 1.158 11 I CB 2.617 40.645 38.000 0.047 0.000 1.315 11 I HN 0.401 nan 8.210 nan 0.000 0.451 12 P HA 0.311 nan 4.420 nan 0.000 0.287 12 P C -0.887 176.429 177.300 0.027 0.000 1.307 12 P CA -0.104 63.014 63.100 0.029 0.000 0.777 12 P CB 0.775 32.489 31.700 0.024 0.000 0.883 13 I N -0.190 120.396 120.570 0.027 0.000 2.646 13 I HA 0.659 4.829 4.170 -0.000 0.000 0.299 13 I C -0.661 175.467 176.117 0.018 0.000 1.036 13 I CA -0.943 60.371 61.300 0.024 0.000 1.074 13 I CB 2.457 40.474 38.000 0.028 0.000 1.258 13 I HN 0.015 nan 8.210 nan 0.000 0.430 14 S N 2.714 118.423 115.700 0.014 0.000 2.659 14 S HA 0.525 4.995 4.470 -0.000 0.000 0.312 14 S C -0.488 174.114 174.600 0.003 0.000 1.114 14 S CA -0.511 57.693 58.200 0.007 0.000 1.063 14 S CB 1.738 64.942 63.200 0.007 0.000 0.996 14 S HN 0.726 nan 8.310 nan 0.000 0.478 15 T N 5.328 119.878 114.554 -0.006 0.000 2.770 15 T HA 0.496 4.846 4.350 -0.000 0.000 0.283 15 T C -2.667 172.012 174.700 -0.035 0.000 0.988 15 T CA -1.504 60.584 62.100 -0.019 0.000 0.957 15 T CB 1.323 70.174 68.868 -0.029 0.000 0.930 15 T HN 0.232 nan 8.240 nan 0.000 0.443 16 P HA 0.294 nan 4.420 nan 0.000 0.277 16 P C -0.001 177.258 177.300 -0.068 0.000 1.240 16 P CA -0.690 62.387 63.100 -0.038 0.000 0.798 16 P CB 0.546 32.232 31.700 -0.022 0.000 0.979 17 M N 1.462 121.025 119.600 -0.062 0.000 2.159 17 M HA 0.289 4.769 4.480 -0.000 0.000 0.293 17 M C 0.436 176.698 176.300 -0.064 0.000 1.186 17 M CA -0.086 55.167 55.300 -0.079 0.000 1.073 17 M CB -0.313 32.252 32.600 -0.058 0.000 1.419 17 M HN 0.370 nan 8.290 nan 0.000 0.490 31 I N 2.303 122.861 120.570 -0.020 0.000 2.312 31 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 31 I C -0.485 175.629 176.117 -0.006 0.000 1.031 31 I CA -0.450 60.840 61.300 -0.016 0.000 1.293 31 I CB 0.930 38.915 38.000 -0.024 0.000 1.403 31 I HN 0.580 nan 8.210 nan 0.000 0.484 32 D N 6.028 126.427 120.400 -0.000 0.000 2.317 32 D HA 0.570 5.210 4.640 -0.000 0.000 0.234 32 D C 0.530 176.836 176.300 0.010 0.000 1.112 32 D CA 0.135 54.139 54.000 0.006 0.000 0.840 32 D CB 2.125 42.930 40.800 0.009 0.000 1.078 32 D HN 0.763 nan 8.370 nan 0.000 0.486 33 G N 0.190 109.000 108.800 0.017 0.000 3.135 33 G HA2 0.670 4.630 3.960 -0.000 0.000 0.278 33 G HA3 0.670 4.630 3.960 -0.000 0.000 0.278 33 G C -1.209 173.711 174.900 0.033 0.000 1.302 33 G CA -0.435 44.681 45.100 0.026 0.000 0.880 33 G HN 0.330 nan 8.290 nan 0.000 0.574 34 V N -0.135 119.806 119.914 0.045 0.000 3.012 34 V HA 0.554 4.674 4.120 -0.000 0.000 0.307 34 V C -0.889 175.243 176.094 0.064 0.000 1.166 34 V CA -0.563 61.767 62.300 0.050 0.000 0.974 34 V CB 2.085 33.938 31.823 0.050 0.000 1.040 34 V HN 0.597 nan 8.190 nan 0.000 0.428 35 L N 4.206 125.466 121.223 0.061 0.000 2.346 35 L HA 0.680 5.019 4.340 -0.000 0.000 0.274 35 L C -1.061 175.850 176.870 0.068 0.000 1.007 35 L CA -0.742 54.138 54.840 0.067 0.000 0.818 35 L CB 1.908 44.001 42.059 0.057 0.000 1.284 35 L HN 0.452 nan 8.230 nan 0.000 0.424 36 L N 2.960 124.227 121.223 0.074 0.000 2.346 36 L HA 0.561 4.901 4.340 -0.000 0.000 0.274 36 L C -1.068 175.826 176.870 0.040 0.000 1.007 36 L CA -0.206 54.675 54.840 0.068 0.000 0.818 36 L CB 1.673 43.780 42.059 0.080 0.000 1.284 36 L HN 0.460 nan 8.230 nan 0.000 0.424 37 K N 5.867 126.283 120.400 0.028 0.000 2.578 37 K HA 0.504 4.824 4.320 -0.000 0.000 0.250 37 K C -1.594 174.966 176.600 -0.068 0.000 0.955 37 K CA -0.479 55.765 56.287 -0.073 0.000 0.825 37 K CB 1.774 34.210 32.500 -0.108 0.000 1.151 37 K HN 0.554 nan 8.250 nan 0.000 0.432 38 L N 4.499 125.656 121.223 -0.110 0.000 2.277 38 L HA 0.338 4.678 4.340 -0.000 0.000 0.284 38 L C -0.537 176.272 176.870 -0.102 0.000 1.028 38 L CA -0.835 53.986 54.840 -0.033 0.000 0.835 38 L CB 0.340 42.391 42.059 -0.012 0.000 1.215 38 L HN 0.520 nan 8.230 nan 0.000 0.425 39 H N 0.788 119.864 119.070 0.010 0.000 2.580 39 H HA 0.304 4.860 4.556 -0.000 0.000 0.322 39 H C 0.331 175.658 175.328 -0.001 0.000 1.082 39 H CA -0.153 55.898 56.048 0.005 0.000 1.383 39 H CB 1.155 30.921 29.762 0.007 0.000 1.450 39 H HN 0.574 nan 8.280 nan 0.000 0.505 40 S N 0.856 116.610 115.700 0.091 0.000 2.690 40 S HA 0.116 4.586 4.470 -0.000 0.000 0.291 40 S C 0.493 175.126 174.600 0.055 0.000 1.138 40 S CA -0.881 57.349 58.200 0.049 0.000 1.013 40 S CB 1.271 64.477 63.200 0.010 0.000 1.053 40 S HN 0.729 nan 8.310 nan 0.000 0.539 41 D N -0.680 119.741 120.400 0.035 0.000 2.324 41 D HA 0.033 4.673 4.640 -0.000 0.000 0.235 41 D C 0.259 176.574 176.300 0.024 0.000 1.095 41 D CA 0.097 54.114 54.000 0.028 0.000 0.871 41 D CB -0.289 40.523 40.800 0.020 0.000 0.906 41 D HN 0.728 nan 8.370 nan 0.000 0.522 42 E N -0.339 119.876 120.200 0.024 0.000 2.995 42 E HA 0.328 4.677 4.350 -0.000 0.000 0.203 42 E C 0.961 177.574 176.600 0.021 0.000 0.980 42 E CA -0.057 56.355 56.400 0.020 0.000 1.172 42 E CB 0.792 30.501 29.700 0.015 0.000 1.088 42 E HN 0.293 nan 8.360 nan 0.000 0.463 43 G N 1.540 110.359 108.800 0.032 0.000 2.550 43 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.233 43 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.233 43 G C 0.516 175.434 174.900 0.030 0.000 1.170 43 G CA 0.212 45.333 45.100 0.036 0.000 0.693 43 G HN 0.272 nan 8.290 nan 0.000 0.512 44 L N 1.047 122.275 121.223 0.009 0.000 2.483 44 L HA 0.464 4.804 4.340 -0.000 0.000 0.276 44 L C 0.314 177.164 176.870 -0.033 0.000 1.213 44 L CA -0.129 54.702 54.840 -0.014 0.000 0.843 44 L CB 0.984 43.025 42.059 -0.029 0.000 1.107 44 L HN 0.101 nan 8.230 nan 0.000 0.487 45 V N 1.361 121.231 119.914 -0.072 0.000 2.569 45 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 45 V C 0.412 176.428 176.094 -0.130 0.000 1.044 45 V CA -0.680 61.527 62.300 -0.156 0.000 0.874 45 V CB 1.636 33.294 31.823 -0.276 0.000 1.002 45 V HN 0.881 nan 8.190 nan 0.000 0.424 46 G N 4.773 113.503 108.800 -0.117 0.000 2.390 46 G HA2 0.677 4.637 3.960 -0.000 0.000 0.270 46 G HA3 0.677 4.637 3.960 -0.000 0.000 0.270 46 G C -0.462 174.402 174.900 -0.060 0.000 1.211 46 G CA -0.318 44.740 45.100 -0.070 0.000 0.842 46 G HN 0.906 nan 8.290 nan 0.000 0.519 47 I N -0.490 120.067 120.570 -0.020 0.000 2.846 47 I HA 0.964 5.134 4.170 -0.000 0.000 0.307 47 I C -0.196 175.958 176.117 0.062 0.000 1.053 47 I CA -1.392 59.911 61.300 0.005 0.000 1.050 47 I CB 2.596 40.594 38.000 -0.003 0.000 1.239 47 I HN 0.712 nan 8.210 nan 0.000 0.439 48 A N 2.423 125.296 122.820 0.089 0.000 2.608 48 A HA 0.586 4.906 4.320 -0.000 0.000 0.292 48 A C -2.129 175.542 177.584 0.145 0.000 1.066 48 A CA -0.478 51.653 52.037 0.157 0.000 0.676 48 A CB 1.744 20.908 19.000 0.273 0.000 1.277 48 A HN 0.781 nan 8.150 nan 0.000 0.413 49 D N 1.034 121.530 120.400 0.161 0.000 2.481 49 D HA 0.588 5.228 4.640 -0.000 0.000 0.246 49 D C 0.903 177.318 176.300 0.193 0.000 1.109 49 D CA 0.274 54.352 54.000 0.131 0.000 0.845 49 D CB 1.943 42.791 40.800 0.081 0.000 1.160 49 D HN 0.631 nan 8.370 nan 0.000 0.534 50 A N 2.891 125.812 122.820 0.169 0.000 2.015 50 A HA 0.377 4.697 4.320 -0.000 0.000 0.219 50 A C 1.351 179.021 177.584 0.144 0.000 1.163 50 A CA 1.485 53.627 52.037 0.176 0.000 0.646 50 A CB -0.783 18.280 19.000 0.105 0.000 0.806 50 A HN 1.067 nan 8.150 nan 0.000 0.448 51 G N -0.884 107.973 108.800 0.096 0.000 2.627 51 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 51 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 51 G C -0.531 174.388 174.900 0.032 0.000 1.331 51 G CA -0.035 45.101 45.100 0.059 0.000 0.891 51 G HN 0.649 nan 8.290 nan 0.000 0.539 52 D N 0.332 120.735 120.400 0.005 0.000 2.378 52 D HA 0.503 5.143 4.640 -0.000 0.000 0.238 52 D C 1.123 177.409 176.300 -0.023 0.000 1.180 52 D CA 1.064 55.054 54.000 -0.016 0.000 0.895 52 D CB 0.600 41.375 40.800 -0.041 0.000 1.192 52 D HN 0.937 nan 8.370 nan 0.000 0.438 53 T N -0.599 113.940 114.554 -0.026 0.000 2.797 53 T HA 0.552 4.902 4.350 -0.000 0.000 0.279 53 T C -0.357 174.302 174.700 -0.069 0.000 0.991 53 T CA -0.990 61.090 62.100 -0.032 0.000 0.979 53 T CB 1.306 70.168 68.868 -0.010 0.000 0.943 53 T HN 0.159 nan 8.240 nan 0.000 0.444 54 S N 1.530 117.158 115.700 -0.120 0.000 2.707 54 S HA 0.419 4.889 4.470 -0.000 0.000 0.303 54 S C 1.365 175.842 174.600 -0.204 0.000 1.132 54 S CA -0.191 57.864 58.200 -0.241 0.000 1.046 54 S CB 1.122 64.011 63.200 -0.518 0.000 1.004 54 S HN 0.944 nan 8.310 nan 0.000 0.483 55 S N 5.417 121.069 115.700 -0.079 0.000 2.368 55 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 55 S C 1.853 176.490 174.600 0.060 0.000 1.030 55 S CA 1.094 59.307 58.200 0.022 0.000 0.999 55 S CB -0.705 62.559 63.200 0.107 0.000 0.844 55 S HN 0.970 nan 8.310 nan 0.000 0.459 56 W N 0.060 121.407 121.300 0.079 0.000 2.494 56 W HA 0.107 4.767 4.660 -0.000 0.000 0.286 56 W C 2.071 178.650 176.519 0.100 0.000 1.218 56 W CA 0.438 57.831 57.345 0.080 0.000 1.313 56 W CB -1.017 28.488 29.460 0.077 0.000 1.105 56 W HN 0.356 nan 8.180 nan 0.000 0.561 57 Y N 2.187 121.998 120.300 -0.816 0.000 2.286 57 Y HA -0.011 4.539 4.550 -0.000 0.000 0.293 57 Y C 2.870 178.609 175.900 -0.268 0.000 1.124 57 Y CA 2.692 60.400 58.100 -0.652 0.000 1.178 57 Y CB -0.278 37.478 38.460 -1.172 0.000 1.010 57 Y HN -0.152 nan 8.280 nan 0.000 0.536 58 R N -1.025 119.373 120.500 -0.169 0.000 2.350 58 R HA 0.282 4.622 4.340 -0.000 0.000 0.199 58 R C 1.293 177.556 176.300 -0.063 0.000 0.876 58 R CA 1.094 57.131 56.100 -0.105 0.000 1.062 58 R CB 0.498 30.803 30.300 0.007 0.000 1.263 58 R HN 0.290 nan 8.270 nan 0.000 0.641 59 G N 0.354 109.126 108.800 -0.048 0.000 2.176 59 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.253 59 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.253 59 G C -0.430 174.465 174.900 -0.009 0.000 0.979 59 G CA 0.427 45.520 45.100 -0.012 0.000 0.641 59 G HN 0.401 nan 8.290 nan 0.000 0.530 60 E N 0.496 120.687 120.200 -0.014 0.000 2.212 60 E HA 0.647 4.997 4.350 -0.000 0.000 0.270 60 E C 0.455 177.053 176.600 -0.003 0.000 0.956 60 E CA -0.041 56.355 56.400 -0.006 0.000 0.825 60 E CB 1.591 31.290 29.700 -0.001 0.000 1.167 60 E HN 0.392 nan 8.360 nan 0.000 0.400 61 T N -1.773 112.782 114.554 0.002 0.000 2.888 61 T HA 0.178 4.528 4.350 -0.000 0.000 0.288 61 T C 0.884 175.590 174.700 0.010 0.000 1.063 61 T CA -0.721 61.382 62.100 0.006 0.000 1.010 61 T CB 1.345 70.219 68.868 0.009 0.000 1.214 61 T HN 0.383 nan 8.240 nan 0.000 0.533 62 Q N 0.063 119.871 119.800 0.013 0.000 2.061 62 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 62 Q C 1.482 177.492 176.000 0.016 0.000 0.984 62 Q CA 2.067 57.881 55.803 0.017 0.000 0.846 62 Q CB -0.256 28.493 28.738 0.018 0.000 0.902 62 Q HN 0.653 nan 8.270 nan 0.000 0.421 63 D N -0.121 120.286 120.400 0.013 0.000 2.144 63 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 63 D C 2.166 178.471 176.300 0.008 0.000 0.978 63 D CA 1.522 55.529 54.000 0.012 0.000 0.833 63 D CB -0.237 40.570 40.800 0.012 0.000 0.961 63 D HN 0.242 nan 8.370 nan 0.000 0.470 64 S N 0.250 115.952 115.700 0.002 0.000 2.368 64 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 64 S C 2.227 176.815 174.600 -0.019 0.000 1.029 64 S CA 0.504 58.698 58.200 -0.010 0.000 0.988 64 S CB -0.593 62.599 63.200 -0.015 0.000 0.838 64 S HN 0.231 nan 8.310 nan 0.000 0.462 65 I N 1.762 122.330 120.570 -0.005 0.000 2.202 65 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 65 I C 2.842 178.962 176.117 0.005 0.000 1.091 65 I CA 1.528 62.830 61.300 0.003 0.000 1.368 65 I CB -1.024 36.990 38.000 0.024 0.000 1.058 65 I HN 0.331 nan 8.210 nan 0.000 0.410 66 T N -0.261 114.301 114.554 0.013 0.000 2.652 66 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 66 T C 2.135 176.841 174.700 0.009 0.000 1.039 66 T CA 2.029 64.140 62.100 0.018 0.000 1.153 66 T CB -0.270 68.610 68.868 0.019 0.000 0.863 66 T HN 0.311 nan 8.240 nan 0.000 0.428 67 S N 0.445 116.151 115.700 0.009 0.000 2.356 67 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 67 S C 2.104 176.736 174.600 0.053 0.000 1.032 67 S CA 1.436 59.653 58.200 0.029 0.000 1.005 67 S CB -0.374 62.857 63.200 0.052 0.000 0.867 67 S HN 0.288 nan 8.310 nan 0.000 0.449 68 M N 1.369 120.951 119.600 -0.031 0.000 2.159 68 M HA 0.067 4.547 4.480 -0.000 0.000 0.263 68 M C 1.630 177.692 176.300 -0.398 0.000 1.063 68 M CA 1.458 56.628 55.300 -0.216 0.000 1.110 68 M CB -0.598 31.746 32.600 -0.427 0.000 1.374 68 M HN 0.430 nan 8.290 nan 0.000 0.411 69 I N -1.553 118.909 120.570 -0.180 0.000 2.193 69 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 69 I C 2.135 178.284 176.117 0.052 0.000 1.084 69 I CA 1.017 62.322 61.300 0.008 0.000 1.365 69 I CB -0.479 37.591 38.000 0.116 0.000 1.064 69 I HN 0.292 nan 8.210 nan 0.000 0.410 70 C N 0.386 119.698 119.300 0.021 0.000 2.457 70 C HA -0.087 4.373 4.460 -0.000 0.000 0.278 70 C C 2.217 177.176 174.990 -0.051 0.000 1.309 70 C CA 0.494 59.516 59.018 0.007 0.000 1.735 70 C CB -0.857 26.884 27.740 0.002 0.000 1.992 70 C HN 0.510 nan 8.230 nan 0.000 0.493 71 D N -0.709 119.629 120.400 -0.103 0.000 2.333 71 D HA 0.078 4.718 4.640 -0.000 0.000 0.208 71 D C 1.351 177.294 176.300 -0.594 0.000 0.984 71 D CA 1.048 54.851 54.000 -0.328 0.000 0.873 71 D CB 0.115 40.675 40.800 -0.399 0.000 0.935 71 D HN 0.450 nan 8.370 nan 0.000 0.521 72 F N -1.055 118.829 119.950 -0.111 0.000 2.423 72 F HA 0.102 4.629 4.527 0.000 0.000 0.269 72 F C 1.770 177.618 175.800 0.079 0.000 0.880 72 F CA -0.321 57.629 58.000 -0.082 0.000 1.134 72 F CB -0.328 38.535 39.000 -0.228 0.000 1.143 72 F HN -0.253 nan 8.300 nan 0.000 0.802 73 F N 1.263 121.337 119.950 0.206 0.000 2.134 73 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 73 F C 2.497 178.335 175.800 0.063 0.000 1.097 73 F CA 0.795 58.860 58.000 0.109 0.000 1.264 73 F CB -1.674 37.371 39.000 0.076 0.000 1.001 73 F HN -0.006 nan 8.300 nan 0.000 0.479 74 A N 1.213 124.173 122.820 0.233 0.000 1.835 74 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 74 A C 0.108 177.742 177.584 0.083 0.000 1.199 74 A CA 1.978 54.091 52.037 0.127 0.000 0.615 74 A CB -2.184 16.864 19.000 0.080 0.000 0.838 74 A HN 0.265 nan 8.150 nan 0.000 0.444 75 P HA -0.114 nan 4.420 nan 0.000 0.217 75 P C 0.858 178.187 177.300 0.048 0.000 1.151 75 P CA 1.149 64.263 63.100 0.025 0.000 0.828 75 P CB -0.046 31.640 31.700 -0.024 0.000 0.788 76 K N -0.587 119.866 120.400 0.089 0.000 2.243 76 K HA 0.090 4.410 4.320 -0.000 0.000 0.201 76 K C 1.882 178.543 176.600 0.101 0.000 1.051 76 K CA 0.741 57.092 56.287 0.107 0.000 0.970 76 K CB -0.122 32.478 32.500 0.167 0.000 0.755 76 K HN 0.153 nan 8.250 nan 0.000 0.465 77 V N -0.268 119.715 119.914 0.115 0.000 3.159 77 V HA 0.053 4.173 4.120 -0.000 0.000 0.234 77 V C 1.916 178.033 176.094 0.039 0.000 1.313 77 V CA 0.194 62.534 62.300 0.067 0.000 1.271 77 V CB 0.124 31.973 31.823 0.043 0.000 1.053 77 V HN -0.018 nan 8.190 nan 0.000 0.476 78 L N -0.068 121.190 121.223 0.059 0.000 2.145 78 L HA 0.192 4.532 4.340 -0.000 0.000 0.201 78 L C 0.802 177.693 176.870 0.035 0.000 1.075 78 L CA 0.709 55.572 54.840 0.039 0.000 0.773 78 L CB -0.107 41.988 42.059 0.059 0.000 0.936 78 L HN 0.176 nan 8.230 nan 0.000 0.451 79 L N 1.001 122.250 121.223 0.043 0.000 2.513 79 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 79 L C 1.261 178.145 176.870 0.024 0.000 1.187 79 L CA 0.728 55.588 54.840 0.033 0.000 0.895 79 L CB 0.273 42.350 42.059 0.031 0.000 1.147 79 L HN 0.449 nan 8.230 nan 0.000 0.483 80 G N 2.225 111.037 108.800 0.019 0.000 2.199 80 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 80 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 80 G C 0.145 175.052 174.900 0.011 0.000 0.982 80 G CA 0.230 45.338 45.100 0.014 0.000 0.632 80 G HN 0.597 nan 8.290 nan 0.000 0.529 81 E N 1.112 121.318 120.200 0.010 0.000 2.283 81 E HA 0.502 4.852 4.350 -0.000 0.000 0.271 81 E C -0.290 176.307 176.600 -0.004 0.000 1.031 81 E CA -0.758 55.644 56.400 0.003 0.000 0.868 81 E CB 0.794 30.493 29.700 -0.001 0.000 1.094 81 E HN 0.099 nan 8.360 nan 0.000 0.401 82 D N 4.425 124.820 120.400 -0.008 0.000 2.339 82 D HA 0.074 4.714 4.640 -0.000 0.000 0.256 82 D C -1.655 174.624 176.300 -0.034 0.000 1.214 82 D CA -1.971 52.021 54.000 -0.014 0.000 0.877 82 D CB 1.239 42.037 40.800 -0.003 0.000 1.111 82 D HN 0.282 nan 8.370 nan 0.000 0.478 83 P HA -0.131 nan 4.420 nan 0.000 0.228 83 P C 1.028 178.254 177.300 -0.124 0.000 1.151 83 P CA 0.936 63.985 63.100 -0.085 0.000 0.770 83 P CB -0.062 31.582 31.700 -0.093 0.000 0.786 84 T N -3.207 111.284 114.554 -0.106 0.000 3.085 84 T HA 0.023 4.373 4.350 -0.000 0.000 0.263 84 T C 1.124 175.787 174.700 -0.062 0.000 1.127 84 T CA 0.337 62.374 62.100 -0.106 0.000 1.103 84 T CB -0.636 68.227 68.868 -0.009 0.000 0.921 84 T HN 0.122 nan 8.240 nan 0.000 0.510 85 K N 1.363 121.732 120.400 -0.050 0.000 2.751 85 K HA 0.364 4.684 4.320 -0.000 0.000 0.252 85 K C 0.739 177.305 176.600 -0.056 0.000 1.277 85 K CA -0.258 56.007 56.287 -0.036 0.000 1.226 85 K CB -0.202 32.286 32.500 -0.021 0.000 1.658 85 K HN 0.407 nan 8.250 nan 0.000 0.303 86 I N 0.660 121.181 120.570 -0.081 0.000 2.179 86 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 86 I C 2.222 178.312 176.117 -0.045 0.000 1.088 86 I CA 1.202 62.446 61.300 -0.094 0.000 1.357 86 I CB -0.055 37.842 38.000 -0.172 0.000 1.051 86 I HN 0.442 nan 8.210 nan 0.000 0.409 87 E N 1.069 121.256 120.200 -0.022 0.000 2.058 87 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 87 E C 2.117 178.709 176.600 -0.014 0.000 0.997 87 E CA 1.427 57.825 56.400 -0.004 0.000 0.801 87 E CB -0.247 29.458 29.700 0.008 0.000 0.746 87 E HN 0.437 nan 8.360 nan 0.000 0.450 88 K N 0.695 121.083 120.400 -0.019 0.000 2.002 88 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 88 K C 2.323 178.900 176.600 -0.037 0.000 1.048 88 K CA 1.151 57.425 56.287 -0.021 0.000 0.930 88 K CB -0.172 32.318 32.500 -0.016 0.000 0.714 88 K HN 0.021 nan 8.250 nan 0.000 0.438 89 I N 0.710 121.249 120.570 -0.053 0.000 2.179 89 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 89 I C 2.279 178.325 176.117 -0.117 0.000 1.088 89 I CA 0.974 62.224 61.300 -0.083 0.000 1.357 89 I CB -0.224 37.722 38.000 -0.090 0.000 1.051 89 I HN 0.013 nan 8.210 nan 0.000 0.409 90 V N 1.125 120.983 119.914 -0.094 0.000 2.287 90 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 90 V C 2.598 178.643 176.094 -0.082 0.000 1.053 90 V CA 2.282 64.524 62.300 -0.098 0.000 1.027 90 V CB -1.486 30.312 31.823 -0.041 0.000 0.646 90 V HN 0.600 nan 8.190 nan 0.000 0.447 91 G N -0.273 108.498 108.800 -0.048 0.000 2.446 91 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 91 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 91 G C 1.731 176.610 174.900 -0.035 0.000 1.168 91 G CA 0.796 45.878 45.100 -0.029 0.000 0.771 91 G HN 0.445 nan 8.290 nan 0.000 0.551 92 R N -0.501 119.972 120.500 -0.046 0.000 2.096 92 R HA 0.093 4.432 4.340 -0.000 0.000 0.235 92 R C 2.741 179.012 176.300 -0.049 0.000 1.127 92 R CA 1.194 57.275 56.100 -0.032 0.000 0.968 92 R CB -0.330 29.955 30.300 -0.024 0.000 0.861 92 R HN 0.361 nan 8.270 nan 0.000 0.440 93 M N 0.421 119.927 119.600 -0.157 0.000 2.159 93 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 93 M C 1.213 177.476 176.300 -0.062 0.000 1.063 93 M CA 1.415 56.547 55.300 -0.279 0.000 1.110 93 M CB -0.194 31.989 32.600 -0.696 0.000 1.374 93 M HN 0.024 nan 8.290 nan 0.000 0.411 94 D N 0.452 120.822 120.400 -0.050 0.000 2.178 94 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 94 D C 1.904 178.218 176.300 0.024 0.000 0.974 94 D CA 1.046 55.048 54.000 0.003 0.000 0.841 94 D CB -0.004 40.797 40.800 0.001 0.000 0.953 94 D HN 0.244 nan 8.370 nan 0.000 0.478 95 I N 0.446 121.028 120.570 0.019 0.000 2.353 95 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 95 I C 2.295 178.437 176.117 0.042 0.000 1.119 95 I CA 0.538 61.853 61.300 0.025 0.000 1.417 95 I CB -0.740 37.273 38.000 0.021 0.000 1.078 95 I HN 0.046 nan 8.210 nan 0.000 0.421 96 L N -0.067 121.199 121.223 0.073 0.000 2.156 96 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 96 L C 0.494 177.407 176.870 0.072 0.000 1.095 96 L CA 1.443 56.345 54.840 0.104 0.000 0.770 96 L CB -0.176 42.000 42.059 0.194 0.000 0.914 96 L HN 0.078 nan 8.230 nan 0.000 0.439 97 T N 0.662 115.278 114.554 0.103 0.000 2.921 97 T HA 0.337 4.687 4.350 -0.000 0.000 0.297 97 T C -0.688 174.035 174.700 0.037 0.000 1.013 97 T CA -0.596 61.530 62.100 0.044 0.000 0.990 97 T CB 2.265 71.206 68.868 0.122 0.000 1.023 97 T HN 0.074 nan 8.240 nan 0.000 0.447 98 R N 2.455 122.949 120.500 -0.010 0.000 2.459 98 R HA 0.322 4.662 4.340 -0.000 0.000 0.281 98 R C -0.205 176.100 176.300 0.008 0.000 1.050 98 R CA 0.030 56.132 56.100 0.003 0.000 1.055 98 R CB 0.323 30.615 30.300 -0.013 0.000 1.045 98 R HN 0.813 nan 8.270 nan 0.000 0.495 99 D N 1.744 122.161 120.400 0.028 0.000 3.245 99 D HA -0.328 4.312 4.640 -0.000 0.000 0.196 99 D C -0.307 176.015 176.300 0.036 0.000 1.370 99 D CA 1.545 55.562 54.000 0.027 0.000 1.087 99 D CB -0.490 40.316 40.800 0.009 0.000 0.612 99 D HN 0.945 nan 8.370 nan 0.000 0.704 100 N N 0.532 119.244 118.700 0.020 0.000 2.735 100 N HA -0.214 4.526 4.740 -0.000 0.000 0.248 100 N C 0.386 175.933 175.510 0.061 0.000 1.083 100 N CA 0.867 53.937 53.050 0.033 0.000 0.703 100 N CB -1.326 37.181 38.487 0.034 0.000 1.005 100 N HN 0.345 nan 8.380 nan 0.000 0.550 101 N N 0.993 119.715 118.700 0.036 0.000 2.149 101 N HA -0.192 4.547 4.740 -0.000 0.000 0.188 101 N C 1.827 177.338 175.510 0.001 0.000 1.019 101 N CA 1.490 54.554 53.050 0.022 0.000 0.857 101 N CB -0.137 38.361 38.487 0.018 0.000 0.997 101 N HN 0.587 nan 8.380 nan 0.000 0.426 102 Q N 0.015 119.821 119.800 0.011 0.000 2.123 102 Q HA 0.034 4.374 4.340 -0.000 0.000 0.199 102 Q C 1.877 177.873 176.000 -0.007 0.000 0.966 102 Q CA 1.297 57.102 55.803 0.003 0.000 0.845 102 Q CB -0.071 28.684 28.738 0.028 0.000 0.907 102 Q HN 0.403 nan 8.270 nan 0.000 0.439 103 A N 1.162 124.008 122.820 0.043 0.000 1.873 103 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 103 A C 1.945 179.607 177.584 0.131 0.000 1.186 103 A CA 1.604 53.701 52.037 0.101 0.000 0.616 103 A CB -0.354 18.724 19.000 0.130 0.000 0.823 103 A HN 0.327 nan 8.150 nan 0.000 0.442 104 K N -0.208 120.268 120.400 0.126 0.000 2.057 104 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 104 K C 2.301 178.786 176.600 -0.192 0.000 1.049 104 K CA 1.158 57.431 56.287 -0.022 0.000 0.931 104 K CB -0.350 32.125 32.500 -0.041 0.000 0.714 104 K HN 0.438 nan 8.250 nan 0.000 0.440 105 A N 1.096 123.751 122.820 -0.275 0.000 1.902 105 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 105 A C 2.242 179.174 177.584 -1.088 0.000 1.181 105 A CA 2.059 53.696 52.037 -0.667 0.000 0.623 105 A CB -1.007 17.644 19.000 -0.582 0.000 0.818 105 A HN 0.261 nan 8.150 nan 0.000 0.443 106 T N -0.226 114.001 114.554 -0.546 0.000 2.684 106 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 106 T C 1.875 176.495 174.700 -0.133 0.000 1.036 106 T CA 1.705 63.656 62.100 -0.250 0.000 1.148 106 T CB -0.495 68.369 68.868 -0.008 0.000 0.863 106 T HN 0.165 nan 8.240 nan 0.000 0.436 107 V N 2.187 122.040 119.914 -0.102 0.000 2.343 107 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 107 V C 2.529 178.590 176.094 -0.055 0.000 1.051 107 V CA 1.836 64.111 62.300 -0.042 0.000 1.036 107 V CB -0.597 31.195 31.823 -0.051 0.000 0.654 107 V HN 0.590 nan 8.190 nan 0.000 0.451 108 D N -0.046 120.269 120.400 -0.142 0.000 2.123 108 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 108 D C 2.056 178.483 176.300 0.213 0.000 0.992 108 D CA 1.558 55.551 54.000 -0.011 0.000 0.833 108 D CB -0.053 40.684 40.800 -0.106 0.000 0.954 108 D HN 0.384 nan 8.370 nan 0.000 0.455 109 F N 1.636 121.635 119.950 0.081 0.000 2.102 109 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 109 F C 2.774 178.616 175.800 0.070 0.000 1.105 109 F CA 0.771 58.805 58.000 0.058 0.000 1.239 109 F CB -1.425 37.593 39.000 0.030 0.000 0.991 109 F HN 0.004 nan 8.300 nan 0.000 0.474 110 A N 0.123 123.083 122.820 0.234 0.000 1.969 110 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 110 A C 2.336 179.957 177.584 0.060 0.000 1.169 110 A CA 1.178 53.284 52.037 0.115 0.000 0.635 110 A CB -1.064 17.979 19.000 0.070 0.000 0.810 110 A HN 0.383 nan 8.150 nan 0.000 0.445 111 L N -1.678 119.582 121.223 0.061 0.000 2.056 111 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 111 L C 2.556 179.379 176.870 -0.079 0.000 1.078 111 L CA 1.611 56.432 54.840 -0.032 0.000 0.749 111 L CB -0.680 41.340 42.059 -0.065 0.000 0.901 111 L HN 0.452 nan 8.230 nan 0.000 0.433 112 H N -1.139 117.916 119.070 -0.025 0.000 2.389 112 H HA -0.186 4.370 4.556 -0.000 0.000 0.299 112 H C 1.895 177.160 175.328 -0.106 0.000 1.081 112 H CA 1.681 57.694 56.048 -0.058 0.000 1.345 112 H CB -0.076 29.680 29.762 -0.010 0.000 1.393 112 H HN 0.312 nan 8.280 nan 0.000 0.520 113 D N -0.149 120.281 120.400 0.049 0.000 2.097 113 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 113 D C 2.106 178.358 176.300 -0.081 0.000 0.989 113 D CA 0.557 54.542 54.000 -0.026 0.000 0.827 113 D CB -0.124 40.678 40.800 0.003 0.000 0.966 113 D HN 0.182 nan 8.370 nan 0.000 0.456 114 L N 0.082 121.253 121.223 -0.087 0.000 2.017 114 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 114 L C 2.281 179.023 176.870 -0.213 0.000 1.073 114 L CA 1.387 56.152 54.840 -0.125 0.000 0.745 114 L CB -0.708 41.286 42.059 -0.108 0.000 0.894 114 L HN 0.046 nan 8.230 nan 0.000 0.432 115 V N -0.030 119.711 119.914 -0.288 0.000 2.407 115 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 115 V C 2.583 178.344 176.094 -0.554 0.000 1.055 115 V CA 1.648 63.630 62.300 -0.531 0.000 1.049 115 V CB -1.473 30.034 31.823 -0.526 0.000 0.662 115 V HN 0.627 nan 8.190 nan 0.000 0.455 116 G N -0.353 108.273 108.800 -0.290 0.000 2.408 116 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 116 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 116 G C 1.673 176.494 174.900 -0.132 0.000 1.150 116 G CA 0.673 45.662 45.100 -0.185 0.000 0.776 116 G HN 0.466 nan 8.290 nan 0.000 0.542 117 K N -0.163 120.157 120.400 -0.133 0.000 2.057 117 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 117 K C 2.576 179.138 176.600 -0.063 0.000 1.050 117 K CA 1.017 57.256 56.287 -0.080 0.000 0.935 117 K CB -0.093 32.363 32.500 -0.074 0.000 0.715 117 K HN 0.070 nan 8.250 nan 0.000 0.439 118 R N 0.691 121.110 120.500 -0.135 0.000 2.081 118 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 118 R C 1.565 177.938 176.300 0.121 0.000 1.131 118 R CA 1.596 57.646 56.100 -0.083 0.000 0.960 118 R CB -0.343 29.817 30.300 -0.233 0.000 0.856 118 R HN 0.097 nan 8.270 nan 0.000 0.436 119 F N -0.567 119.363 119.950 -0.034 0.000 2.789 119 F HA 0.373 4.900 4.527 -0.000 0.000 0.300 119 F C 1.494 177.275 175.800 -0.031 0.000 1.132 119 F CA 0.305 58.287 58.000 -0.031 0.000 1.404 119 F CB -0.470 38.509 39.000 -0.034 0.000 1.114 119 F HN 0.321 nan 8.300 nan 0.000 0.584 120 G N 1.182 110.058 108.800 0.127 0.000 2.198 120 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.257 120 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.257 120 G C -0.051 174.870 174.900 0.035 0.000 1.042 120 G CA 0.327 45.462 45.100 0.058 0.000 0.791 120 G HN 0.572 nan 8.290 nan 0.000 0.502 121 V N -3.951 115.976 119.914 0.022 0.000 3.040 121 V HA 0.950 5.070 4.120 -0.000 0.000 0.312 121 V C -2.552 173.450 176.094 -0.154 0.000 1.115 121 V CA -3.047 59.231 62.300 -0.037 0.000 0.998 121 V CB 2.412 34.244 31.823 0.015 0.000 1.042 121 V HN 0.020 nan 8.190 nan 0.000 0.433 122 P HA 0.291 nan 4.420 nan 0.000 0.274 122 P C 0.996 177.932 177.300 -0.607 0.000 1.231 122 P CA -0.114 62.664 63.100 -0.538 0.000 0.790 122 P CB 1.113 32.220 31.700 -0.988 0.000 0.951 123 V N 2.026 121.486 119.914 -0.756 0.000 2.469 123 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 123 V C 1.922 177.873 176.094 -0.238 0.000 1.064 123 V CA 2.049 64.034 62.300 -0.524 0.000 1.066 123 V CB -1.708 29.723 31.823 -0.653 0.000 0.667 123 V HN 0.624 nan 8.190 nan 0.000 0.461 124 Y N 0.373 120.658 120.300 -0.025 0.000 2.403 124 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 124 Y C 2.240 178.193 175.900 0.088 0.000 1.143 124 Y CA 0.812 58.992 58.100 0.135 0.000 1.257 124 Y CB -1.100 37.503 38.460 0.238 0.000 0.984 124 Y HN 0.223 nan 8.280 nan 0.000 0.550 125 Q N 0.786 120.686 119.800 0.166 0.000 2.230 125 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 125 Q C 2.183 178.263 176.000 0.134 0.000 0.963 125 Q CA 1.103 57.015 55.803 0.181 0.000 0.866 125 Q CB -0.184 28.593 28.738 0.067 0.000 0.931 125 Q HN 0.623 nan 8.270 nan 0.000 0.452 126 L N -0.252 121.034 121.223 0.105 0.000 2.341 126 L HA 0.013 4.353 4.340 -0.000 0.000 0.214 126 L C 1.571 178.536 176.870 0.158 0.000 1.115 126 L CA 0.366 55.287 54.840 0.135 0.000 0.820 126 L CB -0.051 42.091 42.059 0.137 0.000 0.944 126 L HN 0.087 nan 8.230 nan 0.000 0.452 127 L N -0.253 121.068 121.223 0.163 0.000 2.741 127 L HA 0.332 4.672 4.340 -0.000 0.000 0.237 127 L C 1.062 178.020 176.870 0.146 0.000 1.178 127 L CA 0.322 55.256 54.840 0.157 0.000 0.973 127 L CB 0.045 42.193 42.059 0.148 0.000 1.255 127 L HN 0.369 nan 8.230 nan 0.000 0.498 128 G N -0.816 108.068 108.800 0.141 0.000 2.168 128 G HA2 0.015 3.975 3.960 -0.000 0.000 0.197 128 G HA3 0.015 3.975 3.960 -0.000 0.000 0.197 128 G C 0.515 175.485 174.900 0.117 0.000 0.997 128 G CA -0.252 44.919 45.100 0.118 0.000 0.658 128 G HN 0.802 nan 8.290 nan 0.000 0.513 129 G N -0.678 108.222 108.800 0.166 0.000 2.746 129 G HA2 0.155 4.115 3.960 -0.000 0.000 0.685 129 G HA3 0.155 4.115 3.960 -0.000 0.000 0.685 129 G C -0.248 174.702 174.900 0.084 0.000 1.350 129 G CA 0.277 45.475 45.100 0.163 0.000 0.837 129 G HN 1.119 nan 8.290 nan 0.000 0.564 130 K N 0.638 121.007 120.400 -0.051 0.000 2.171 130 K HA 0.407 4.727 4.320 -0.000 0.000 0.274 130 K C 1.620 178.132 176.600 -0.148 0.000 1.110 130 K CA 0.409 56.531 56.287 -0.275 0.000 0.952 130 K CB -0.347 31.814 32.500 -0.566 0.000 1.309 130 K HN 0.498 nan 8.250 nan 0.000 0.414 131 T N 3.664 118.161 114.554 -0.095 0.000 2.821 131 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 131 T C 0.944 175.585 174.700 -0.099 0.000 1.046 131 T CA 0.962 63.020 62.100 -0.071 0.000 1.139 131 T CB -0.245 68.598 68.868 -0.041 0.000 0.871 131 T HN 0.681 nan 8.240 nan 0.000 0.454 132 I N -1.586 118.907 120.570 -0.128 0.000 2.689 132 I HA 0.512 4.682 4.170 -0.000 0.000 0.299 132 I C 0.496 176.509 176.117 -0.173 0.000 1.059 132 I CA -1.021 60.196 61.300 -0.138 0.000 1.055 132 I CB 2.338 40.258 38.000 -0.133 0.000 1.243 132 I HN -0.178 nan 8.210 nan 0.000 0.425 133 E N 3.010 123.112 120.200 -0.164 0.000 2.170 133 E HA 0.008 4.357 4.350 -0.000 0.000 0.191 133 E C 0.026 176.500 176.600 -0.209 0.000 0.981 133 E CA 0.654 56.960 56.400 -0.157 0.000 0.830 133 E CB 0.176 29.816 29.700 -0.101 0.000 0.775 133 E HN 0.654 nan 8.360 nan 0.000 0.470 134 R N 0.330 120.648 120.500 -0.303 0.000 2.740 134 R HA 0.565 4.905 4.340 -0.000 0.000 0.273 134 R C -1.207 174.939 176.300 -0.256 0.000 0.998 134 R CA -0.741 55.051 56.100 -0.512 0.000 0.900 134 R CB 1.034 30.719 30.300 -1.026 0.000 1.223 134 R HN -0.172 nan 8.270 nan 0.000 0.466 135 I N 2.763 123.206 120.570 -0.211 0.000 2.330 135 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 135 I C -2.066 174.015 176.117 -0.060 0.000 1.001 135 I CA -2.563 58.680 61.300 -0.095 0.000 1.193 135 I CB 1.910 39.847 38.000 -0.105 0.000 1.345 135 I HN 0.407 nan 8.210 nan 0.000 0.461 136 P HA 0.175 nan 4.420 nan 0.000 0.271 136 P C -0.891 176.265 177.300 -0.239 0.000 1.220 136 P CA 0.098 62.881 63.100 -0.528 0.000 0.768 136 P CB 0.938 32.158 31.700 -0.800 0.000 0.848 137 L N 2.304 123.456 121.223 -0.118 0.000 2.322 137 L HA 0.787 5.127 4.340 -0.000 0.000 0.269 137 L C 1.053 177.883 176.870 -0.066 0.000 1.012 137 L CA -0.668 54.184 54.840 0.020 0.000 0.815 137 L CB 2.083 44.255 42.059 0.189 0.000 1.295 137 L HN 0.417 nan 8.230 nan 0.000 0.438 138 G N 0.696 109.149 108.800 -0.579 0.000 2.685 138 G HA2 0.753 4.713 3.960 -0.000 0.000 0.298 138 G HA3 0.753 4.713 3.960 -0.000 0.000 0.298 138 G C -1.988 172.454 174.900 -0.764 0.000 1.277 138 G CA -0.432 43.661 45.100 -1.679 0.000 0.986 138 G HN 0.324 nan 8.290 nan 0.000 0.487 139 L N -0.139 120.738 121.223 -0.578 0.000 2.472 139 L HA 0.584 4.924 4.340 -0.000 0.000 0.260 139 L C -0.557 176.224 176.870 -0.150 0.000 0.963 139 L CA -0.611 54.020 54.840 -0.349 0.000 0.829 139 L CB 2.476 44.116 42.059 -0.698 0.000 1.348 139 L HN 0.383 nan 8.230 nan 0.000 0.408 140 V N 4.764 124.648 119.914 -0.050 0.000 2.498 140 V HA 0.377 4.497 4.120 -0.000 0.000 0.279 140 V C 0.345 176.370 176.094 -0.115 0.000 1.048 140 V CA -0.594 61.653 62.300 -0.089 0.000 0.967 140 V CB 1.115 32.881 31.823 -0.095 0.000 0.988 140 V HN 0.550 nan 8.190 nan 0.000 0.473 141 L N 3.514 124.656 121.223 -0.136 0.000 2.418 141 L HA 0.556 4.896 4.340 -0.000 0.000 0.265 141 L C 1.121 177.917 176.870 -0.122 0.000 1.143 141 L CA -0.134 54.633 54.840 -0.123 0.000 0.809 141 L CB 0.618 42.608 42.059 -0.115 0.000 1.124 141 L HN 0.788 nan 8.230 nan 0.000 0.456 142 G N 0.549 109.286 108.800 -0.105 0.000 2.507 142 G HA2 0.478 4.438 3.960 -0.000 0.000 0.271 142 G HA3 0.478 4.438 3.960 -0.000 0.000 0.271 142 G C -0.123 174.726 174.900 -0.085 0.000 1.189 142 G CA -0.321 44.719 45.100 -0.100 0.000 0.859 142 G HN 0.804 nan 8.290 nan 0.000 0.542 143 A N -0.393 122.380 122.820 -0.078 0.000 2.425 143 A HA 0.737 5.057 4.320 -0.000 0.000 0.242 143 A C 0.929 178.479 177.584 -0.055 0.000 1.077 143 A CA 0.800 52.798 52.037 -0.066 0.000 0.781 143 A CB 0.256 19.220 19.000 -0.059 0.000 1.020 143 A HN 2.221 nan 8.150 nan 0.000 0.494 144 G N 0.179 108.949 108.800 -0.050 0.000 2.315 144 G HA2 0.437 4.397 3.960 -0.000 0.000 0.294 144 G HA3 0.437 4.397 3.960 -0.000 0.000 0.294 144 G C -1.382 173.493 174.900 -0.041 0.000 1.300 144 G CA -0.853 44.222 45.100 -0.043 0.000 0.843 144 G HN 0.642 nan 8.290 nan 0.000 0.527 145 E N 1.171 121.349 120.200 -0.036 0.000 2.383 145 E HA 0.225 4.575 4.350 -0.000 0.000 0.264 145 E C -1.222 175.355 176.600 -0.040 0.000 1.050 145 E CA -1.482 54.897 56.400 -0.034 0.000 0.896 145 E CB 1.676 31.359 29.700 -0.028 0.000 0.982 145 E HN 0.193 nan 8.360 nan 0.000 0.424 146 P HA -0.234 nan 4.420 nan 0.000 0.218 146 P C 0.684 177.956 177.300 -0.047 0.000 1.154 146 P CA 1.641 64.710 63.100 -0.052 0.000 0.872 146 P CB 0.329 31.996 31.700 -0.055 0.000 0.790 147 E N -0.258 119.919 120.200 -0.038 0.000 2.150 147 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 147 E C 2.256 178.836 176.600 -0.033 0.000 0.985 147 E CA 1.109 57.489 56.400 -0.032 0.000 0.814 147 E CB -0.436 29.249 29.700 -0.025 0.000 0.752 147 E HN 0.246 nan 8.360 nan 0.000 0.466 148 A N 1.005 123.805 122.820 -0.034 0.000 1.897 148 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 148 A C 2.494 180.053 177.584 -0.042 0.000 1.181 148 A CA 0.778 52.794 52.037 -0.035 0.000 0.620 148 A CB -0.461 18.519 19.000 -0.033 0.000 0.821 148 A HN 0.095 nan 8.150 nan 0.000 0.443 149 V N 0.068 119.953 119.914 -0.049 0.000 2.343 149 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 149 V C 3.041 179.101 176.094 -0.056 0.000 1.051 149 V CA 1.860 64.124 62.300 -0.058 0.000 1.036 149 V CB -1.252 30.531 31.823 -0.066 0.000 0.654 149 V HN 0.592 nan 8.190 nan 0.000 0.451 150 A N -0.486 122.304 122.820 -0.051 0.000 1.933 150 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 150 A C 2.207 179.769 177.584 -0.036 0.000 1.175 150 A CA 1.960 53.971 52.037 -0.044 0.000 0.628 150 A CB -0.454 18.521 19.000 -0.040 0.000 0.814 150 A HN 0.618 nan 8.150 nan 0.000 0.444 151 E N -0.859 119.321 120.200 -0.033 0.000 2.072 151 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 151 E C 2.083 178.664 176.600 -0.032 0.000 0.985 151 E CA 1.168 57.552 56.400 -0.028 0.000 0.801 151 E CB -0.113 29.572 29.700 -0.025 0.000 0.750 151 E HN 0.823 nan 8.360 nan 0.000 0.452 152 E N 0.631 120.806 120.200 -0.041 0.000 2.110 152 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 152 E C 2.000 178.566 176.600 -0.056 0.000 0.988 152 E CA 0.956 57.325 56.400 -0.051 0.000 0.804 152 E CB -0.048 29.614 29.700 -0.063 0.000 0.745 152 E HN 0.212 nan 8.360 nan 0.000 0.458 153 A N 1.247 124.034 122.820 -0.055 0.000 1.883 153 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 153 A C 2.227 179.793 177.584 -0.030 0.000 1.186 153 A CA 1.422 53.429 52.037 -0.051 0.000 0.624 153 A CB -0.786 18.187 19.000 -0.045 0.000 0.822 153 A HN 0.346 nan 8.150 nan 0.000 0.444 154 L N -0.977 120.233 121.223 -0.021 0.000 2.083 154 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 154 L C 3.096 179.964 176.870 -0.003 0.000 1.083 154 L CA 1.021 55.856 54.840 -0.009 0.000 0.752 154 L CB -0.581 41.474 42.059 -0.008 0.000 0.899 154 L HN 0.475 nan 8.230 nan 0.000 0.433 155 A N -0.349 122.465 122.820 -0.010 0.000 1.898 155 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 155 A C 2.337 179.934 177.584 0.020 0.000 1.181 155 A CA 1.593 53.630 52.037 0.000 0.000 0.620 155 A CB -0.757 18.235 19.000 -0.012 0.000 0.819 155 A HN 0.174 nan 8.150 nan 0.000 0.442 156 V N 0.171 120.080 119.914 -0.008 0.000 2.295 156 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 156 V C 2.571 178.746 176.094 0.134 0.000 1.049 156 V CA 2.057 64.362 62.300 0.009 0.000 1.024 156 V CB -0.753 30.985 31.823 -0.142 0.000 0.648 156 V HN 0.573 nan 8.190 nan 0.000 0.447 157 L N -0.756 120.498 121.223 0.051 0.000 2.131 157 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 157 L C 2.736 179.616 176.870 0.015 0.000 1.092 157 L CA 1.483 56.342 54.840 0.032 0.000 0.759 157 L CB -0.566 41.500 42.059 0.011 0.000 0.903 157 L HN 0.235 nan 8.230 nan 0.000 0.435 158 R N -0.151 120.363 120.500 0.024 0.000 2.092 158 R HA -0.189 4.151 4.340 -0.000 0.000 0.231 158 R C 2.162 178.467 176.300 0.009 0.000 1.119 158 R CA 1.226 57.332 56.100 0.011 0.000 0.970 158 R CB -0.189 30.120 30.300 0.014 0.000 0.864 158 R HN 0.172 nan 8.270 nan 0.000 0.440 159 E N -0.361 119.869 120.200 0.050 0.000 2.338 159 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 159 E C 0.876 177.404 176.600 -0.121 0.000 1.007 159 E CA 1.303 57.722 56.400 0.033 0.000 0.849 159 E CB 0.095 29.910 29.700 0.192 0.000 0.774 159 E HN 0.468 nan 8.360 nan 0.000 0.506 160 G N -1.594 107.116 108.800 -0.150 0.000 2.192 160 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.193 160 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.193 160 G C -0.013 174.514 174.900 -0.622 0.000 0.999 160 G CA -0.195 44.706 45.100 -0.333 0.000 0.659 160 G HN 0.146 nan 8.290 nan 0.000 0.503 161 F N 1.490 121.229 119.950 -0.352 0.000 2.506 161 F HA 0.362 4.888 4.527 -0.000 0.000 0.351 161 F C 1.928 177.419 175.800 -0.513 0.000 1.136 161 F CA 0.335 58.075 58.000 -0.433 0.000 1.298 161 F CB 0.533 39.356 39.000 -0.295 0.000 1.145 161 F HN 0.101 nan 8.300 nan 0.000 0.593 162 H N 2.475 121.479 119.070 -0.110 0.000 2.548 162 H HA 0.086 4.642 4.556 -0.000 0.000 0.268 162 H C -0.330 175.085 175.328 0.145 0.000 0.975 162 H CA 0.736 56.766 56.048 -0.030 0.000 1.195 162 H CB 0.029 29.766 29.762 -0.041 0.000 1.397 162 H HN 0.473 nan 8.280 nan 0.000 0.572 163 F N -1.932 118.130 119.950 0.186 0.000 2.741 163 F HA 0.550 5.077 4.527 0.000 0.000 0.311 163 F C -1.825 174.003 175.800 0.046 0.000 1.149 163 F CA -1.537 56.549 58.000 0.143 0.000 0.930 163 F CB 0.964 40.109 39.000 0.241 0.000 1.312 163 F HN -0.360 nan 8.300 nan 0.000 0.450 164 V N 2.043 122.142 119.914 0.308 0.000 2.487 164 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 164 V C -0.721 175.290 176.094 -0.139 0.000 1.028 164 V CA -0.829 61.503 62.300 0.054 0.000 0.860 164 V CB 1.591 33.406 31.823 -0.014 0.000 0.991 164 V HN 0.878 nan 8.190 nan 0.000 0.427 165 K N 5.458 125.695 120.400 -0.272 0.000 2.244 165 K HA 0.743 5.063 4.320 -0.000 0.000 0.260 165 K C -1.505 174.878 176.600 -0.363 0.000 0.951 165 K CA -0.635 55.249 56.287 -0.672 0.000 0.826 165 K CB 1.474 33.529 32.500 -0.741 0.000 1.108 165 K HN 0.632 nan 8.250 nan 0.000 0.433 166 L N 3.819 124.843 121.223 -0.332 0.000 2.334 166 L HA 0.472 4.812 4.340 -0.000 0.000 0.276 166 L C -0.241 176.534 176.870 -0.159 0.000 1.014 166 L CA -1.055 53.669 54.840 -0.193 0.000 0.815 166 L CB 1.797 43.770 42.059 -0.144 0.000 1.268 166 L HN 0.546 nan 8.230 nan 0.000 0.428 167 K N 2.207 122.531 120.400 -0.127 0.000 2.248 167 K HA 0.562 4.882 4.320 -0.000 0.000 0.281 167 K C -0.386 176.153 176.600 -0.101 0.000 1.054 167 K CA -0.437 55.783 56.287 -0.112 0.000 0.903 167 K CB 1.745 34.184 32.500 -0.101 0.000 1.077 167 K HN 0.667 nan 8.250 nan 0.000 0.474 168 A N 2.115 124.867 122.820 -0.112 0.000 2.309 168 A HA 0.427 4.747 4.320 -0.000 0.000 0.290 168 A C 0.910 178.443 177.584 -0.085 0.000 1.206 168 A CA -0.332 51.660 52.037 -0.075 0.000 0.850 168 A CB 0.519 19.481 19.000 -0.063 0.000 1.118 168 A HN 0.929 nan 8.150 nan 0.000 0.523 169 G N 1.396 110.173 108.800 -0.039 0.000 3.079 169 G HA2 0.521 4.481 3.960 -0.000 0.000 0.233 169 G HA3 0.521 4.481 3.960 -0.000 0.000 0.233 169 G C 0.831 175.737 174.900 0.010 0.000 1.062 169 G CA 0.634 45.707 45.100 -0.044 0.000 0.809 169 G HN 2.127 nan 8.290 nan 0.000 0.535 170 G N 0.710 109.548 108.800 0.064 0.000 2.787 170 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.685 170 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.685 170 G C -1.981 172.940 174.900 0.035 0.000 1.437 170 G CA -0.349 44.802 45.100 0.085 0.000 0.872 170 G HN 0.369 nan 8.290 nan 0.000 0.566 171 P HA 0.340 nan 4.420 nan 0.000 0.277 171 P C 1.450 178.769 177.300 0.032 0.000 1.276 171 P CA -0.471 62.648 63.100 0.031 0.000 0.788 171 P CB 0.626 32.331 31.700 0.009 0.000 1.114 172 L N 0.829 122.056 121.223 0.006 0.000 2.010 172 L HA -0.242 4.098 4.340 -0.000 0.000 0.219 172 L C 2.333 179.205 176.870 0.003 0.000 1.077 172 L CA 2.214 57.046 54.840 -0.014 0.000 0.773 172 L CB -1.168 40.852 42.059 -0.065 0.000 0.892 172 L HN 0.298 nan 8.230 nan 0.000 0.436 173 K N -0.663 119.735 120.400 -0.003 0.000 2.152 173 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 173 K C 1.999 178.600 176.600 0.002 0.000 1.048 173 K CA 1.329 57.617 56.287 0.001 0.000 0.933 173 K CB -0.387 32.111 32.500 -0.003 0.000 0.721 173 K HN 0.581 nan 8.250 nan 0.000 0.447 174 A N 1.984 124.806 122.820 0.004 0.000 1.872 174 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 174 A C 1.689 179.272 177.584 -0.002 0.000 1.187 174 A CA 1.603 53.639 52.037 -0.002 0.000 0.614 174 A CB -0.278 18.723 19.000 0.001 0.000 0.826 174 A HN 0.165 nan 8.150 nan 0.000 0.442 175 D N 0.221 120.637 120.400 0.026 0.000 2.117 175 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 175 D C 1.883 178.186 176.300 0.004 0.000 0.987 175 D CA 1.202 55.226 54.000 0.039 0.000 0.829 175 D CB -0.358 40.518 40.800 0.127 0.000 0.961 175 D HN 0.525 nan 8.370 nan 0.000 0.460 176 I N 1.296 121.873 120.570 0.012 0.000 2.179 176 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 176 I C 2.542 178.596 176.117 -0.105 0.000 1.088 176 I CA 1.003 62.300 61.300 -0.005 0.000 1.357 176 I CB -0.245 37.794 38.000 0.065 0.000 1.051 176 I HN -0.084 nan 8.210 nan 0.000 0.409 177 A N 0.539 123.322 122.820 -0.063 0.000 1.933 177 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 177 A C 2.409 179.923 177.584 -0.117 0.000 1.175 177 A CA 1.877 53.867 52.037 -0.079 0.000 0.628 177 A CB -0.636 18.340 19.000 -0.041 0.000 0.814 177 A HN 0.464 nan 8.150 nan 0.000 0.444 178 M N -0.330 119.209 119.600 -0.100 0.000 2.059 178 M HA -0.136 4.344 4.480 -0.000 0.000 0.259 178 M C 1.983 178.190 176.300 -0.155 0.000 1.072 178 M CA 2.261 57.499 55.300 -0.103 0.000 1.117 178 M CB -0.286 32.269 32.600 -0.075 0.000 1.320 178 M HN 0.192 nan 8.290 nan 0.000 0.408 179 V N 1.165 120.962 119.914 -0.195 0.000 2.332 179 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 179 V C 2.748 178.562 176.094 -0.466 0.000 1.055 179 V CA 2.007 64.145 62.300 -0.270 0.000 1.038 179 V CB -1.621 30.055 31.823 -0.245 0.000 0.651 179 V HN 0.688 nan 8.190 nan 0.000 0.450 180 A N 0.057 122.458 122.820 -0.698 0.000 1.883 180 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 180 A C 2.222 179.640 177.584 -0.277 0.000 1.186 180 A CA 2.264 53.854 52.037 -0.746 0.000 0.624 180 A CB -0.566 18.127 19.000 -0.512 0.000 0.822 180 A HN 0.604 nan 8.150 nan 0.000 0.444 181 E N -0.165 119.924 120.200 -0.185 0.000 2.051 181 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 181 E C 1.792 178.342 176.600 -0.083 0.000 0.991 181 E CA 1.668 58.009 56.400 -0.099 0.000 0.799 181 E CB -0.360 29.293 29.700 -0.078 0.000 0.748 181 E HN 0.254 nan 8.360 nan 0.000 0.449 182 V N 0.697 120.550 119.914 -0.101 0.000 2.295 182 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 182 V C 2.558 178.622 176.094 -0.050 0.000 1.049 182 V CA 2.107 64.364 62.300 -0.072 0.000 1.024 182 V CB -0.686 31.089 31.823 -0.080 0.000 0.648 182 V HN 0.241 nan 8.190 nan 0.000 0.447 183 R N 0.662 121.123 120.500 -0.064 0.000 2.083 183 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 183 R C 2.446 178.758 176.300 0.020 0.000 1.137 183 R CA 2.054 58.151 56.100 -0.004 0.000 0.951 183 R CB -0.579 29.738 30.300 0.028 0.000 0.851 183 R HN 0.459 nan 8.270 nan 0.000 0.434 184 R N -0.371 120.134 120.500 0.008 0.000 2.096 184 R HA -0.160 4.180 4.340 -0.000 0.000 0.240 184 R C 1.981 178.289 176.300 0.014 0.000 1.139 184 R CA 1.921 58.035 56.100 0.022 0.000 0.952 184 R CB -0.456 29.851 30.300 0.012 0.000 0.854 184 R HN 0.372 nan 8.270 nan 0.000 0.436 185 A N 0.253 123.072 122.820 -0.001 0.000 1.968 185 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 185 A C 2.102 179.689 177.584 0.004 0.000 1.169 185 A CA 1.347 53.383 52.037 -0.001 0.000 0.638 185 A CB -0.256 18.737 19.000 -0.012 0.000 0.812 185 A HN 0.368 nan 8.150 nan 0.000 0.446 186 V N -3.623 116.296 119.914 0.007 0.000 3.506 186 V HA 0.509 4.629 4.120 -0.000 0.000 0.263 186 V C 1.127 177.237 176.094 0.027 0.000 1.203 186 V CA 0.425 62.734 62.300 0.015 0.000 1.133 186 V CB -1.352 30.481 31.823 0.016 0.000 0.802 186 V HN 1.678 nan 8.190 nan 0.000 0.459 187 G N 1.027 109.846 108.800 0.031 0.000 2.795 187 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.664 187 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.664 187 G C -0.268 174.661 174.900 0.049 0.000 1.381 187 G CA 0.047 45.169 45.100 0.038 0.000 0.853 187 G HN 0.356 nan 8.290 nan 0.000 0.545 188 D N -0.068 120.362 120.400 0.050 0.000 2.347 188 D HA 0.046 4.686 4.640 -0.000 0.000 0.213 188 D C 1.312 177.645 176.300 0.055 0.000 0.985 188 D CA 0.975 55.009 54.000 0.056 0.000 0.879 188 D CB 0.118 40.947 40.800 0.050 0.000 0.919 188 D HN 0.480 nan 8.370 nan 0.000 0.526 189 D N 0.459 120.890 120.400 0.051 0.000 2.339 189 D HA 0.033 4.673 4.640 -0.000 0.000 0.217 189 D C 0.374 176.714 176.300 0.066 0.000 1.050 189 D CA 0.105 54.138 54.000 0.054 0.000 0.856 189 D CB 1.261 42.089 40.800 0.046 0.000 0.922 189 D HN 0.035 nan 8.370 nan 0.000 0.518 190 V N 1.343 121.299 119.914 0.071 0.000 2.532 190 V HA 0.069 4.189 4.120 -0.000 0.000 0.295 190 V C 0.255 176.417 176.094 0.113 0.000 1.041 190 V CA -0.965 61.387 62.300 0.088 0.000 0.926 190 V CB 2.210 34.076 31.823 0.072 0.000 0.992 190 V HN -0.086 nan 8.190 nan 0.000 0.457 191 D N 3.881 124.376 120.400 0.158 0.000 2.348 191 D HA 0.226 4.866 4.640 -0.000 0.000 0.259 191 D C -0.800 175.637 176.300 0.229 0.000 1.296 191 D CA 0.063 54.181 54.000 0.198 0.000 0.931 191 D CB 0.665 41.625 40.800 0.266 0.000 1.067 191 D HN 0.324 nan 8.370 nan 0.000 0.503 192 L N 6.181 127.511 121.223 0.178 0.000 2.356 192 L HA 0.638 4.978 4.340 -0.000 0.000 0.277 192 L C -1.387 175.592 176.870 0.182 0.000 0.996 192 L CA -0.705 54.210 54.840 0.125 0.000 0.822 192 L CB 1.111 43.209 42.059 0.066 0.000 1.256 192 L HN 0.279 nan 8.230 nan 0.000 0.413 193 F N 4.406 124.331 119.950 -0.041 0.000 2.685 193 F HA 0.821 5.348 4.527 -0.000 0.000 0.315 193 F C -1.118 174.642 175.800 -0.067 0.000 1.126 193 F CA -1.248 56.701 58.000 -0.084 0.000 0.950 193 F CB 1.114 39.998 39.000 -0.193 0.000 1.360 193 F HN 0.476 nan 8.300 nan 0.000 0.469 194 I N -0.302 120.349 120.570 0.134 0.000 2.740 194 I HA 0.686 4.856 4.170 -0.000 0.000 0.303 194 I C -1.716 174.435 176.117 0.057 0.000 1.044 194 I CA -0.679 60.620 61.300 -0.001 0.000 1.064 194 I CB 2.115 40.118 38.000 0.005 0.000 1.249 194 I HN 0.616 nan 8.210 nan 0.000 0.433 195 D N 4.327 124.702 120.400 -0.041 0.000 2.391 195 D HA 0.412 5.052 4.640 -0.000 0.000 0.245 195 D C 0.302 176.504 176.300 -0.165 0.000 1.069 195 D CA -0.522 53.455 54.000 -0.038 0.000 0.831 195 D CB 1.890 42.690 40.800 -0.000 0.000 1.204 195 D HN 0.514 nan 8.370 nan 0.000 0.503 196 I N 1.965 122.374 120.570 -0.268 0.000 3.941 196 I HA 0.050 4.220 4.170 -0.000 0.000 0.321 196 I C 0.577 176.475 176.117 -0.364 0.000 1.284 196 I CA 0.031 61.026 61.300 -0.508 0.000 1.226 196 I CB -0.931 36.480 38.000 -0.982 0.000 1.045 196 I HN 0.505 nan 8.210 nan 0.000 0.420 197 N N 1.967 120.570 118.700 -0.162 0.000 2.735 197 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 197 N C 1.199 176.661 175.510 -0.081 0.000 1.083 197 N CA 1.006 54.037 53.050 -0.032 0.000 0.703 197 N CB -1.479 36.924 38.487 -0.140 0.000 1.005 197 N HN 0.621 nan 8.380 nan 0.000 0.550 198 G N -1.237 107.489 108.800 -0.123 0.000 2.203 198 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 198 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 198 G C 1.000 175.821 174.900 -0.130 0.000 1.012 198 G CA 1.014 46.045 45.100 -0.114 0.000 0.749 198 G HN 1.010 nan 8.290 nan 0.000 0.512 199 A N -1.322 121.358 122.820 -0.233 0.000 2.206 199 A HA 0.419 4.739 4.320 -0.000 0.000 0.211 199 A C 0.891 178.508 177.584 0.054 0.000 1.158 199 A CA 0.596 52.543 52.037 -0.151 0.000 0.761 199 A CB -0.068 18.793 19.000 -0.232 0.000 0.801 199 A HN 0.516 nan 8.150 nan 0.000 0.473 200 W N 0.447 121.721 121.300 -0.044 0.000 2.512 200 W HA 0.484 5.144 4.660 -0.000 0.000 0.335 200 W C 0.510 177.013 176.519 -0.027 0.000 1.088 200 W CA -0.824 56.499 57.345 -0.037 0.000 1.236 200 W CB 0.431 29.864 29.460 -0.045 0.000 1.307 200 W HN 0.156 nan 8.180 nan 0.000 0.567 201 T N -1.214 113.472 114.554 0.219 0.000 2.849 201 T HA 0.071 4.421 4.350 -0.000 0.000 0.284 201 T C 0.809 175.592 174.700 0.138 0.000 1.004 201 T CA -0.210 61.977 62.100 0.146 0.000 1.021 201 T CB 1.004 69.937 68.868 0.107 0.000 1.013 201 T HN 0.379 nan 8.240 nan 0.000 0.527 202 Y N 1.849 122.169 120.300 0.033 0.000 2.114 202 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 202 Y C 2.328 178.219 175.900 -0.014 0.000 1.165 202 Y CA 2.707 60.818 58.100 0.018 0.000 1.148 202 Y CB -0.546 37.921 38.460 0.012 0.000 0.972 202 Y HN 0.866 nan 8.280 nan 0.000 0.504 203 D N -0.524 119.813 120.400 -0.105 0.000 2.117 203 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 203 D C 1.882 178.007 176.300 -0.291 0.000 0.987 203 D CA 1.649 55.524 54.000 -0.209 0.000 0.829 203 D CB -0.835 39.934 40.800 -0.053 0.000 0.961 203 D HN 0.535 nan 8.370 nan 0.000 0.460 204 Q N 0.470 120.107 119.800 -0.271 0.000 2.061 204 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 204 Q C 2.444 178.004 176.000 -0.734 0.000 0.984 204 Q CA 1.877 57.397 55.803 -0.472 0.000 0.846 204 Q CB -0.214 28.238 28.738 -0.476 0.000 0.902 204 Q HN 0.451 nan 8.270 nan 0.000 0.421 205 A N 0.704 123.224 122.820 -0.500 0.000 1.858 205 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 205 A C 2.015 179.388 177.584 -0.352 0.000 1.190 205 A CA 1.318 53.156 52.037 -0.331 0.000 0.617 205 A CB -0.790 18.260 19.000 0.083 0.000 0.827 205 A HN 0.371 nan 8.150 nan 0.000 0.443 206 L N -0.125 120.841 121.223 -0.429 0.000 2.012 206 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 206 L C 2.495 179.208 176.870 -0.262 0.000 1.073 206 L CA 2.871 57.497 54.840 -0.356 0.000 0.748 206 L CB -1.068 40.709 42.059 -0.470 0.000 0.891 206 L HN 0.405 nan 8.230 nan 0.000 0.431 207 T N -1.389 112.987 114.554 -0.297 0.000 2.737 207 T HA -0.143 4.207 4.350 -0.000 0.000 0.265 207 T C 1.707 176.261 174.700 -0.243 0.000 1.038 207 T CA 1.925 63.882 62.100 -0.238 0.000 1.144 207 T CB -0.459 68.268 68.868 -0.236 0.000 0.866 207 T HN 0.428 nan 8.240 nan 0.000 0.434 208 T N 2.205 116.526 114.554 -0.388 0.000 2.737 208 T HA 0.082 4.432 4.350 -0.000 0.000 0.265 208 T C 2.026 176.639 174.700 -0.145 0.000 1.038 208 T CA 0.798 62.693 62.100 -0.341 0.000 1.144 208 T CB -0.401 68.038 68.868 -0.715 0.000 0.866 208 T HN 0.284 nan 8.240 nan 0.000 0.434 209 I N 0.784 121.279 120.570 -0.125 0.000 2.208 209 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 209 I C 2.796 178.913 176.117 -0.000 0.000 1.097 209 I CA 1.395 62.709 61.300 0.024 0.000 1.363 209 I CB -0.329 37.703 38.000 0.054 0.000 1.051 209 I HN 0.148 nan 8.210 nan 0.000 0.413 210 R N 0.534 121.004 120.500 -0.050 0.000 2.115 210 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 210 R C 2.331 178.607 176.300 -0.041 0.000 1.111 210 R CA 1.285 57.358 56.100 -0.045 0.000 0.976 210 R CB -0.311 29.951 30.300 -0.064 0.000 0.870 210 R HN 0.352 nan 8.270 nan 0.000 0.445 211 A N 0.567 123.363 122.820 -0.039 0.000 2.066 211 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 211 A C 1.858 179.461 177.584 0.032 0.000 1.157 211 A CA 0.828 52.854 52.037 -0.018 0.000 0.670 211 A CB -0.077 18.912 19.000 -0.017 0.000 0.804 211 A HN 0.175 nan 8.150 nan 0.000 0.453 212 L N -1.054 120.216 121.223 0.078 0.000 2.585 212 L HA 0.068 4.408 4.340 -0.000 0.000 0.226 212 L C 1.912 178.836 176.870 0.091 0.000 1.113 212 L CA 0.128 55.092 54.840 0.206 0.000 0.876 212 L CB -0.205 41.995 42.059 0.235 0.000 1.072 212 L HN 0.386 nan 8.230 nan 0.000 0.468 213 E N 1.389 121.590 120.200 0.001 0.000 2.171 213 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 213 E C 1.919 178.464 176.600 -0.093 0.000 0.997 213 E CA 1.450 57.836 56.400 -0.022 0.000 0.810 213 E CB -0.034 29.649 29.700 -0.029 0.000 0.738 213 E HN 0.540 nan 8.360 nan 0.000 0.467 214 K N 0.186 120.438 120.400 -0.246 0.000 2.283 214 K HA -0.153 4.167 4.320 -0.000 0.000 0.202 214 K C 0.923 177.290 176.600 -0.388 0.000 1.048 214 K CA 1.210 57.278 56.287 -0.365 0.000 0.948 214 K CB -0.151 32.037 32.500 -0.520 0.000 0.742 214 K HN 0.179 nan 8.250 nan 0.000 0.458 215 Y N 1.709 122.019 120.300 0.017 0.000 2.461 215 Y HA 0.174 4.724 4.550 -0.000 0.000 0.277 215 Y C -0.179 175.737 175.900 0.027 0.000 1.182 215 Y CA -0.818 57.294 58.100 0.021 0.000 1.276 215 Y CB -0.423 38.050 38.460 0.022 0.000 1.087 215 Y HN 0.102 nan 8.280 nan 0.000 0.519 216 N N 1.038 119.798 118.700 0.100 0.000 2.699 216 N HA -0.221 4.519 4.740 -0.000 0.000 0.256 216 N C -0.642 174.927 175.510 0.097 0.000 0.993 216 N CA 0.607 53.704 53.050 0.079 0.000 0.759 216 N CB -1.316 37.206 38.487 0.058 0.000 0.906 216 N HN 0.409 nan 8.380 nan 0.000 0.541 217 L N 0.304 121.596 121.223 0.115 0.000 2.461 217 L HA 0.009 4.349 4.340 -0.000 0.000 0.272 217 L C 2.005 178.919 176.870 0.073 0.000 1.197 217 L CA 0.031 54.939 54.840 0.112 0.000 0.836 217 L CB 0.499 42.634 42.059 0.128 0.000 1.105 217 L HN 0.289 nan 8.230 nan 0.000 0.477 218 S N 1.196 116.932 115.700 0.061 0.000 2.423 218 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 218 S C 0.322 174.847 174.600 -0.125 0.000 1.014 218 S CA 0.608 58.792 58.200 -0.027 0.000 0.965 218 S CB -0.164 62.999 63.200 -0.062 0.000 0.785 218 S HN 0.779 nan 8.310 nan 0.000 0.495 219 K N -0.819 119.501 120.400 -0.132 0.000 2.711 219 K HA 0.481 4.801 4.320 -0.000 0.000 0.294 219 K C -2.035 174.526 176.600 -0.065 0.000 1.037 219 K CA -1.042 55.124 56.287 -0.203 0.000 0.858 219 K CB 0.439 32.505 32.500 -0.724 0.000 1.521 219 K HN -0.014 nan 8.250 nan 0.000 0.386 220 I N 1.415 121.979 120.570 -0.009 0.000 2.389 220 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 220 I C -0.367 175.771 176.117 0.035 0.000 0.999 220 I CA -0.296 61.036 61.300 0.054 0.000 1.129 220 I CB 1.356 39.419 38.000 0.105 0.000 1.288 220 I HN 0.761 nan 8.210 nan 0.000 0.444 221 E N 5.526 125.751 120.200 0.042 0.000 2.194 221 E HA 0.121 4.471 4.350 -0.000 0.000 0.284 221 E C -0.127 176.480 176.600 0.013 0.000 1.035 221 E CA -0.462 55.973 56.400 0.058 0.000 0.836 221 E CB 0.601 30.375 29.700 0.122 0.000 1.070 221 E HN 0.454 nan 8.360 nan 0.000 0.401 222 Q N 4.076 123.901 119.800 0.041 0.000 2.429 222 Q HA -0.171 4.169 4.340 -0.000 0.000 0.365 222 Q C -2.007 173.937 176.000 -0.093 0.000 1.384 222 Q CA 0.650 56.455 55.803 0.003 0.000 1.089 222 Q CB -0.183 28.580 28.738 0.042 0.000 1.264 222 Q HN 0.507 nan 8.270 nan 0.000 0.342 223 P HA -0.139 nan 4.420 nan 0.000 0.217 223 P C 0.218 177.489 177.300 -0.047 0.000 1.151 223 P CA 1.122 64.141 63.100 -0.137 0.000 0.828 223 P CB 0.262 32.052 31.700 0.150 0.000 0.788 224 L N -0.651 120.567 121.223 -0.008 0.000 2.400 224 L HA 0.460 4.800 4.340 -0.000 0.000 0.264 224 L C -2.282 174.486 176.870 -0.170 0.000 1.061 224 L CA -2.919 51.890 54.840 -0.052 0.000 0.799 224 L CB 0.157 42.186 42.059 -0.050 0.000 1.240 224 L HN -0.319 nan 8.230 nan 0.000 0.461 225 P HA -0.040 nan 4.420 nan 0.000 0.268 225 P C 0.022 177.056 177.300 -0.442 0.000 1.208 225 P CA 0.144 62.987 63.100 -0.428 0.000 0.777 225 P CB 0.629 31.851 31.700 -0.796 0.000 0.875 226 A N 3.574 126.266 122.820 -0.213 0.000 1.917 226 A HA -0.179 4.140 4.320 -0.000 0.000 0.219 226 A C 1.753 179.304 177.584 -0.054 0.000 1.182 226 A CA 1.834 53.828 52.037 -0.072 0.000 0.633 226 A CB -1.558 17.470 19.000 0.048 0.000 0.819 226 A HN 0.842 nan 8.150 nan 0.000 0.448 227 W N -0.781 120.540 121.300 0.035 0.000 2.770 227 W HA 0.146 4.806 4.660 -0.000 0.000 0.256 227 W C -0.053 176.485 176.519 0.032 0.000 1.291 227 W CA 0.511 57.874 57.345 0.030 0.000 1.396 227 W CB -0.664 28.814 29.460 0.030 0.000 1.114 227 W HN 0.359 nan 8.180 nan 0.000 0.637 228 D N 2.503 122.559 120.400 -0.573 0.000 2.801 228 D HA 0.090 4.730 4.640 -0.000 0.000 0.232 228 D C 1.567 177.783 176.300 -0.139 0.000 1.128 228 D CA 0.142 53.883 54.000 -0.432 0.000 1.003 228 D CB -0.411 39.902 40.800 -0.811 0.000 1.110 228 D HN 0.074 nan 8.370 nan 0.000 0.477 229 L N 0.156 121.372 121.223 -0.012 0.000 2.083 229 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 229 L C 1.635 178.505 176.870 -0.001 0.000 1.083 229 L CA 0.860 55.699 54.840 -0.002 0.000 0.752 229 L CB -0.167 41.906 42.059 0.024 0.000 0.899 229 L HN 0.180 nan 8.230 nan 0.000 0.433 230 D N 0.229 120.637 120.400 0.014 0.000 2.144 230 D HA -0.120 4.519 4.640 -0.000 0.000 0.200 230 D C 2.124 178.408 176.300 -0.027 0.000 0.978 230 D CA 1.497 55.496 54.000 -0.002 0.000 0.833 230 D CB -0.198 40.607 40.800 0.007 0.000 0.961 230 D HN 0.352 nan 8.370 nan 0.000 0.470 231 G N 0.857 109.636 108.800 -0.036 0.000 2.418 231 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 231 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 231 G C 1.607 176.547 174.900 0.067 0.000 1.158 231 G CA 0.390 45.474 45.100 -0.026 0.000 0.771 231 G HN 0.114 nan 8.290 nan 0.000 0.545 232 M N 1.088 120.705 119.600 0.030 0.000 2.159 232 M HA -0.008 4.472 4.480 -0.000 0.000 0.263 232 M C 2.980 179.312 176.300 0.053 0.000 1.063 232 M CA 1.422 56.750 55.300 0.047 0.000 1.110 232 M CB -0.937 31.667 32.600 0.008 0.000 1.374 232 M HN 0.340 nan 8.290 nan 0.000 0.411 233 A N -0.326 122.511 122.820 0.027 0.000 1.929 233 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 233 A C 2.335 179.943 177.584 0.040 0.000 1.176 233 A CA 1.427 53.477 52.037 0.022 0.000 0.628 233 A CB -0.636 18.365 19.000 0.003 0.000 0.816 233 A HN 0.441 nan 8.150 nan 0.000 0.444 234 R N -0.933 119.590 120.500 0.037 0.000 2.092 234 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 234 R C 1.997 178.412 176.300 0.192 0.000 1.119 234 R CA 1.415 57.543 56.100 0.046 0.000 0.970 234 R CB -0.333 29.898 30.300 -0.115 0.000 0.864 234 R HN 0.434 nan 8.270 nan 0.000 0.440 235 L N 1.289 122.678 121.223 0.276 0.000 1.994 235 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 235 L C 2.084 179.034 176.870 0.133 0.000 1.071 235 L CA 1.761 56.761 54.840 0.266 0.000 0.745 235 L CB -0.368 41.815 42.059 0.207 0.000 0.892 235 L HN 0.061 nan 8.230 nan 0.000 0.431 236 R N -0.754 119.805 120.500 0.098 0.000 2.200 236 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 236 R C 1.940 178.274 176.300 0.056 0.000 1.127 236 R CA 0.933 57.072 56.100 0.064 0.000 0.989 236 R CB -0.743 29.584 30.300 0.044 0.000 0.869 236 R HN 0.574 nan 8.270 nan 0.000 0.459 237 G N 0.111 108.951 108.800 0.068 0.000 2.813 237 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.209 237 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.209 237 G C 1.274 176.210 174.900 0.060 0.000 1.150 237 G CA 0.083 45.216 45.100 0.055 0.000 0.785 237 G HN 0.069 nan 8.290 nan 0.000 0.535 238 K N -0.116 120.329 120.400 0.075 0.000 2.402 238 K HA 0.234 4.554 4.320 -0.000 0.000 0.203 238 K C 0.294 176.911 176.600 0.028 0.000 1.077 238 K CA 0.135 56.457 56.287 0.059 0.000 1.051 238 K CB 1.424 33.978 32.500 0.090 0.000 0.907 238 K HN 0.325 nan 8.250 nan 0.000 0.554 239 V N -3.554 116.379 119.914 0.031 0.000 3.040 239 V HA 0.726 4.846 4.120 -0.000 0.000 0.312 239 V C 0.659 176.770 176.094 0.029 0.000 1.115 239 V CA -0.559 61.754 62.300 0.021 0.000 0.998 239 V CB 1.863 33.700 31.823 0.022 0.000 1.042 239 V HN -0.086 nan 8.190 nan 0.000 0.433 240 A N 1.351 124.186 122.820 0.024 0.000 1.943 240 A HA 0.246 4.566 4.320 -0.000 0.000 0.213 240 A C 1.282 178.888 177.584 0.037 0.000 1.181 240 A CA 1.114 53.166 52.037 0.027 0.000 0.653 240 A CB -0.677 18.334 19.000 0.018 0.000 0.833 240 A HN 0.999 nan 8.150 nan 0.000 0.451 241 T N 3.216 117.796 114.554 0.043 0.000 2.908 241 T HA 0.317 4.667 4.350 -0.000 0.000 0.301 241 T C -2.458 172.282 174.700 0.067 0.000 1.019 241 T CA -0.430 61.703 62.100 0.054 0.000 1.152 241 T CB 0.410 69.316 68.868 0.064 0.000 0.966 241 T HN 0.134 nan 8.240 nan 0.000 0.540 242 P HA 0.139 nan 4.420 nan 0.000 0.266 242 P C -0.551 176.846 177.300 0.162 0.000 1.195 242 P CA -0.187 62.988 63.100 0.125 0.000 0.768 242 P CB 0.344 32.153 31.700 0.181 0.000 0.838 243 I N 3.878 124.550 120.570 0.170 0.000 2.362 243 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 243 I C -0.223 176.028 176.117 0.224 0.000 0.994 243 I CA -0.723 60.677 61.300 0.168 0.000 1.158 243 I CB 0.427 38.485 38.000 0.096 0.000 1.315 243 I HN 0.302 nan 8.210 nan 0.000 0.451 244 Y N 3.691 123.959 120.300 -0.053 0.000 2.457 244 Y HA 0.675 5.225 4.550 -0.000 0.000 0.333 244 Y C 0.534 176.423 175.900 -0.019 0.000 1.119 244 Y CA -1.138 56.925 58.100 -0.061 0.000 1.143 244 Y CB 1.935 40.321 38.460 -0.124 0.000 1.230 244 Y HN 0.612 nan 8.280 nan 0.000 0.469 245 A N 1.865 124.747 122.820 0.103 0.000 2.318 245 A HA 0.519 4.839 4.320 -0.000 0.000 0.324 245 A C -0.114 177.566 177.584 0.159 0.000 1.170 245 A CA -0.269 51.824 52.037 0.093 0.000 0.810 245 A CB 0.895 19.915 19.000 0.033 0.000 1.198 245 A HN 0.772 nan 8.150 nan 0.000 0.484 246 D N 0.949 121.449 120.400 0.166 0.000 3.074 246 D HA 0.020 4.659 4.640 -0.000 0.000 0.227 246 D C 1.245 177.656 176.300 0.184 0.000 1.553 246 D CA 0.571 54.704 54.000 0.221 0.000 1.347 246 D CB -0.124 40.831 40.800 0.257 0.000 1.021 246 D HN 0.438 nan 8.370 nan 0.000 0.260 247 E N 0.340 120.626 120.200 0.143 0.000 2.171 247 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 247 E C 2.099 178.711 176.600 0.019 0.000 0.997 247 E CA 1.324 57.733 56.400 0.014 0.000 0.810 247 E CB -0.147 29.568 29.700 0.025 0.000 0.738 247 E HN 0.088 nan 8.360 nan 0.000 0.467 248 S N -0.209 115.516 115.700 0.043 0.000 2.402 248 S HA -0.001 4.469 4.470 -0.000 0.000 0.229 248 S C 1.125 175.744 174.600 0.031 0.000 1.021 248 S CA 0.748 58.963 58.200 0.025 0.000 0.974 248 S CB 0.098 63.302 63.200 0.006 0.000 0.800 248 S HN 0.327 nan 8.310 nan 0.000 0.484 249 A N 1.373 124.249 122.820 0.092 0.000 3.094 249 A HA 0.409 4.729 4.320 -0.000 0.000 0.288 249 A C 0.940 178.716 177.584 0.320 0.000 1.519 249 A CA -0.509 51.608 52.037 0.132 0.000 1.227 249 A CB 0.038 19.160 19.000 0.203 0.000 1.175 249 A HN 0.438 nan 8.150 nan 0.000 0.568 250 Q N 0.464 120.359 119.800 0.159 0.000 2.389 250 Q HA 0.084 4.424 4.340 -0.000 0.000 0.201 250 Q C 0.082 176.192 176.000 0.183 0.000 0.956 250 Q CA 0.441 56.360 55.803 0.193 0.000 0.871 250 Q CB 0.214 28.978 28.738 0.042 0.000 0.990 250 Q HN 0.650 nan 8.270 nan 0.000 0.554 251 E N 0.562 120.724 120.200 -0.063 0.000 2.239 251 E HA 0.130 4.480 4.350 -0.000 0.000 0.261 251 E C 1.238 177.685 176.600 -0.255 0.000 1.016 251 E CA -0.316 55.988 56.400 -0.161 0.000 0.882 251 E CB 1.070 30.516 29.700 -0.424 0.000 1.190 251 E HN 0.265 nan 8.360 nan 0.000 0.415 252 L N 1.018 122.163 121.223 -0.130 0.000 2.042 252 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 252 L C 2.301 179.091 176.870 -0.133 0.000 1.076 252 L CA 1.397 56.162 54.840 -0.125 0.000 0.749 252 L CB -0.704 41.352 42.059 -0.003 0.000 0.893 252 L HN 0.564 nan 8.230 nan 0.000 0.432 253 H N -1.613 117.425 119.070 -0.053 0.000 2.524 253 H HA -0.074 4.482 4.556 -0.000 0.000 0.282 253 H C 1.122 176.417 175.328 -0.056 0.000 1.016 253 H CA 0.916 56.934 56.048 -0.050 0.000 1.270 253 H CB -0.381 29.366 29.762 -0.025 0.000 1.394 253 H HN 0.364 nan 8.280 nan 0.000 0.568 254 D N 1.071 121.241 120.400 -0.383 0.000 2.123 254 D HA -0.059 4.581 4.640 -0.000 0.000 0.200 254 D C 2.293 178.482 176.300 -0.186 0.000 0.976 254 D CA 0.408 54.270 54.000 -0.229 0.000 0.831 254 D CB 0.017 40.679 40.800 -0.230 0.000 0.974 254 D HN 0.236 nan 8.370 nan 0.000 0.469 255 L N 0.565 121.626 121.223 -0.270 0.000 2.046 255 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 255 L C 2.303 179.049 176.870 -0.207 0.000 1.077 255 L CA 0.866 55.518 54.840 -0.313 0.000 0.747 255 L CB -0.906 40.857 42.059 -0.493 0.000 0.896 255 L HN 0.074 nan 8.230 nan 0.000 0.432 256 L N -0.279 120.855 121.223 -0.149 0.000 2.017 256 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 256 L C 2.507 179.336 176.870 -0.069 0.000 1.073 256 L CA 2.076 56.859 54.840 -0.094 0.000 0.745 256 L CB -0.993 41.039 42.059 -0.045 0.000 0.894 256 L HN 0.184 nan 8.230 nan 0.000 0.432 257 A N -0.360 122.432 122.820 -0.048 0.000 1.933 257 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 257 A C 2.283 179.840 177.584 -0.045 0.000 1.175 257 A CA 2.058 54.079 52.037 -0.026 0.000 0.628 257 A CB -0.883 18.119 19.000 0.004 0.000 0.814 257 A HN 0.535 nan 8.150 nan 0.000 0.444 258 I N 0.397 120.922 120.570 -0.074 0.000 2.226 258 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 258 I C 2.507 178.573 176.117 -0.084 0.000 1.100 258 I CA 1.746 62.997 61.300 -0.081 0.000 1.374 258 I CB -0.373 37.559 38.000 -0.114 0.000 1.057 258 I HN 0.586 nan 8.210 nan 0.000 0.413 259 I N -1.195 119.315 120.570 -0.101 0.000 2.315 259 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 259 I C 2.100 178.179 176.117 -0.064 0.000 1.117 259 I CA 1.557 62.802 61.300 -0.092 0.000 1.404 259 I CB -0.653 37.282 38.000 -0.107 0.000 1.071 259 I HN 0.155 nan 8.210 nan 0.000 0.419 260 N N 1.986 120.654 118.700 -0.054 0.000 2.244 260 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 260 N C 1.633 177.126 175.510 -0.028 0.000 1.016 260 N CA 1.372 54.400 53.050 -0.037 0.000 0.866 260 N CB -0.187 38.282 38.487 -0.029 0.000 0.980 260 N HN 0.552 nan 8.380 nan 0.000 0.430 261 K N -0.383 120.000 120.400 -0.028 0.000 2.393 261 K HA 0.167 4.487 4.320 -0.000 0.000 0.193 261 K C 0.556 177.143 176.600 -0.022 0.000 1.026 261 K CA 0.274 56.549 56.287 -0.020 0.000 1.064 261 K CB 0.411 32.903 32.500 -0.013 0.000 0.833 261 K HN 0.130 nan 8.250 nan 0.000 0.521 262 G N 1.467 110.247 108.800 -0.033 0.000 2.314 262 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.292 262 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.292 262 G C 0.545 175.428 174.900 -0.028 0.000 1.059 262 G CA 0.280 45.360 45.100 -0.033 0.000 0.982 262 G HN 0.379 nan 8.290 nan 0.000 0.505 263 A N -1.311 121.487 122.820 -0.036 0.000 2.251 263 A HA 0.794 5.114 4.320 -0.000 0.000 0.209 263 A C 1.329 178.891 177.584 -0.036 0.000 1.187 263 A CA 1.562 53.583 52.037 -0.027 0.000 0.823 263 A CB 0.195 19.178 19.000 -0.027 0.000 0.846 263 A HN 2.325 nan 8.150 nan 0.000 0.486 264 A N -1.121 121.659 122.820 -0.066 0.000 2.604 264 A HA 0.562 4.882 4.320 -0.000 0.000 0.295 264 A C -0.769 176.719 177.584 -0.160 0.000 1.067 264 A CA -0.366 51.609 52.037 -0.103 0.000 0.683 264 A CB 0.591 19.513 19.000 -0.130 0.000 1.281 264 A HN 0.020 nan 8.150 nan 0.000 0.407 265 D N 0.295 120.560 120.400 -0.224 0.000 2.369 265 D HA 0.359 4.999 4.640 -0.000 0.000 0.211 265 D C 0.670 176.562 176.300 -0.680 0.000 1.077 265 D CA 1.413 55.250 54.000 -0.272 0.000 0.842 265 D CB 1.220 41.967 40.800 -0.088 0.000 0.947 265 D HN 0.949 nan 8.370 nan 0.000 0.509 266 G N 0.144 108.310 108.800 -1.057 0.000 2.466 266 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 266 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 266 G C -1.853 172.574 174.900 -0.788 0.000 1.460 266 G CA -0.732 43.454 45.100 -1.524 0.000 0.791 266 G HN 0.011 nan 8.290 nan 0.000 0.505 267 L N 0.062 121.098 121.223 -0.311 0.000 2.350 267 L HA 0.781 5.121 4.340 -0.000 0.000 0.260 267 L C -0.412 176.607 176.870 0.248 0.000 1.015 267 L CA -1.140 53.746 54.840 0.077 0.000 0.821 267 L CB 2.415 44.588 42.059 0.190 0.000 1.370 267 L HN 0.383 nan 8.230 nan 0.000 0.416 268 M N 2.846 122.627 119.600 0.302 0.000 2.535 268 M HA 0.614 5.094 4.480 -0.000 0.000 0.314 268 M C -0.821 175.562 176.300 0.139 0.000 1.153 268 M CA -0.411 55.016 55.300 0.212 0.000 0.924 268 M CB 2.281 34.997 32.600 0.193 0.000 1.710 268 M HN 0.579 nan 8.290 nan 0.000 0.451 269 I N 1.115 121.630 120.570 -0.092 0.000 3.042 269 I HA 0.615 4.785 4.170 -0.000 0.000 0.310 269 I C -1.306 174.693 176.117 -0.198 0.000 1.117 269 I CA -0.633 60.400 61.300 -0.444 0.000 1.003 269 I CB 2.660 40.037 38.000 -1.039 0.000 1.228 269 I HN 0.706 nan 8.210 nan 0.000 0.443 270 K N 2.490 122.769 120.400 -0.202 0.000 2.535 270 K HA 0.240 4.560 4.320 -0.000 0.000 0.251 270 K C 0.382 176.946 176.600 -0.060 0.000 0.942 270 K CA -0.286 55.968 56.287 -0.056 0.000 0.798 270 K CB 2.134 34.664 32.500 0.050 0.000 1.267 270 K HN 0.774 nan 8.250 nan 0.000 0.434 271 T N -0.639 113.927 114.554 0.020 0.000 2.699 271 T HA -0.248 4.101 4.350 -0.000 0.000 0.268 271 T C 1.467 176.267 174.700 0.167 0.000 1.036 271 T CA 1.404 63.582 62.100 0.130 0.000 1.147 271 T CB -0.079 68.969 68.868 0.299 0.000 0.862 271 T HN 0.518 nan 8.240 nan 0.000 0.446 272 Q N 0.963 120.877 119.800 0.189 0.000 2.167 272 Q HA 0.102 4.441 4.340 -0.000 0.000 0.202 272 Q C 2.330 178.370 176.000 0.067 0.000 0.970 272 Q CA 1.290 57.168 55.803 0.124 0.000 0.855 272 Q CB -0.238 28.587 28.738 0.145 0.000 0.911 272 Q HN 0.674 nan 8.270 nan 0.000 0.438 273 K N 0.193 120.640 120.400 0.077 0.000 2.031 273 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 273 K C 1.985 178.596 176.600 0.018 0.000 1.049 273 K CA 1.071 57.391 56.287 0.055 0.000 0.939 273 K CB -0.160 32.394 32.500 0.091 0.000 0.717 273 K HN 0.184 nan 8.250 nan 0.000 0.438 274 A N 0.238 123.033 122.820 -0.041 0.000 1.933 274 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 274 A C 1.610 179.216 177.584 0.037 0.000 1.175 274 A CA 1.787 53.815 52.037 -0.016 0.000 0.628 274 A CB -0.645 18.265 19.000 -0.150 0.000 0.814 274 A HN 0.648 nan 8.150 nan 0.000 0.444 275 G N -3.680 105.118 108.800 -0.002 0.000 2.159 275 G HA2 0.439 4.399 3.960 -0.000 0.000 0.170 275 G HA3 0.439 4.399 3.960 -0.000 0.000 0.170 275 G C 0.976 175.816 174.900 -0.100 0.000 1.007 275 G CA 0.314 45.393 45.100 -0.034 0.000 0.672 275 G HN 2.362 nan 8.290 nan 0.000 0.507 276 G N -1.692 107.052 108.800 -0.093 0.000 2.353 276 G HA2 0.280 4.240 3.960 -0.000 0.000 0.424 276 G HA3 0.280 4.240 3.960 -0.000 0.000 0.424 276 G C 0.604 175.549 174.900 0.074 0.000 1.320 276 G CA -0.135 44.892 45.100 -0.122 0.000 0.995 276 G HN 0.878 nan 8.290 nan 0.000 0.580 277 L N -0.175 121.108 121.223 0.101 0.000 2.056 277 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 277 L C 2.918 179.819 176.870 0.050 0.000 1.078 277 L CA 1.471 56.321 54.840 0.016 0.000 0.749 277 L CB -0.416 41.462 42.059 -0.301 0.000 0.901 277 L HN 0.534 nan 8.230 nan 0.000 0.433 278 L N -0.008 121.281 121.223 0.109 0.000 1.994 278 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 278 L C 2.545 179.482 176.870 0.111 0.000 1.071 278 L CA 1.858 56.782 54.840 0.141 0.000 0.745 278 L CB -0.692 41.462 42.059 0.158 0.000 0.892 278 L HN 0.057 nan 8.230 nan 0.000 0.431 279 K N -0.006 120.449 120.400 0.092 0.000 2.152 279 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 279 K C 2.070 178.763 176.600 0.155 0.000 1.048 279 K CA 1.342 57.693 56.287 0.106 0.000 0.933 279 K CB -0.712 31.835 32.500 0.078 0.000 0.721 279 K HN 0.503 nan 8.250 nan 0.000 0.447 280 A N 1.423 124.314 122.820 0.117 0.000 1.930 280 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 280 A C 2.178 179.879 177.584 0.196 0.000 1.175 280 A CA 1.252 53.357 52.037 0.113 0.000 0.627 280 A CB -0.372 18.648 19.000 0.034 0.000 0.815 280 A HN 0.371 nan 8.150 nan 0.000 0.443 281 Q N -0.586 119.309 119.800 0.159 0.000 2.084 281 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 281 Q C 2.358 178.461 176.000 0.173 0.000 0.978 281 Q CA 1.656 57.557 55.803 0.163 0.000 0.844 281 Q CB -0.196 28.622 28.738 0.134 0.000 0.898 281 Q HN 0.635 nan 8.270 nan 0.000 0.426 282 R N -0.475 120.121 120.500 0.161 0.000 2.081 282 R HA -0.178 4.161 4.340 -0.000 0.000 0.235 282 R C 1.882 178.284 176.300 0.169 0.000 1.131 282 R CA 1.516 57.695 56.100 0.132 0.000 0.960 282 R CB -0.414 29.953 30.300 0.111 0.000 0.856 282 R HN 0.371 nan 8.270 nan 0.000 0.436 283 W N 1.490 122.803 121.300 0.023 0.000 2.317 283 W HA -0.199 4.461 4.660 0.000 0.000 0.318 283 W C 1.622 178.145 176.519 0.006 0.000 1.227 283 W CA 1.415 58.769 57.345 0.014 0.000 1.269 283 W CB -0.196 29.285 29.460 0.036 0.000 1.155 283 W HN -0.011 nan 8.180 nan 0.000 0.484 284 L N -0.163 121.367 121.223 0.512 0.000 2.275 284 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 284 L C 2.280 179.191 176.870 0.068 0.000 1.119 284 L CA 1.366 56.436 54.840 0.383 0.000 0.790 284 L CB -0.983 41.308 42.059 0.388 0.000 0.919 284 L HN -0.039 nan 8.230 nan 0.000 0.443 285 T N -0.155 114.418 114.554 0.031 0.000 2.812 285 T HA -0.112 4.238 4.350 -0.000 0.000 0.264 285 T C 1.855 176.442 174.700 -0.189 0.000 1.042 285 T CA 0.992 63.048 62.100 -0.073 0.000 1.140 285 T CB -0.057 68.797 68.868 -0.023 0.000 0.870 285 T HN 0.061 nan 8.240 nan 0.000 0.445 286 L N 1.130 122.239 121.223 -0.190 0.000 2.093 286 L HA 0.109 4.448 4.340 -0.000 0.000 0.208 286 L C 2.752 179.407 176.870 -0.358 0.000 1.085 286 L CA 1.351 56.029 54.840 -0.270 0.000 0.755 286 L CB -0.971 40.903 42.059 -0.308 0.000 0.904 286 L HN 0.211 nan 8.230 nan 0.000 0.435 287 A N -0.581 122.011 122.820 -0.381 0.000 1.933 287 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 287 A C 2.502 179.675 177.584 -0.685 0.000 1.175 287 A CA 1.851 53.667 52.037 -0.368 0.000 0.628 287 A CB -0.580 18.392 19.000 -0.047 0.000 0.814 287 A HN 0.403 nan 8.150 nan 0.000 0.444 288 R N -0.673 119.199 120.500 -1.047 0.000 2.073 288 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 288 R C 2.053 177.842 176.300 -0.851 0.000 1.134 288 R CA 1.774 56.892 56.100 -1.636 0.000 0.952 288 R CB -0.481 29.235 30.300 -0.974 0.000 0.850 288 R HN 0.417 nan 8.270 nan 0.000 0.433 289 L N 0.907 121.840 121.223 -0.483 0.000 2.079 289 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 289 L C 2.129 178.854 176.870 -0.242 0.000 1.081 289 L CA 2.172 56.840 54.840 -0.287 0.000 0.752 289 L CB -0.575 41.358 42.059 -0.210 0.000 0.896 289 L HN 0.291 nan 8.230 nan 0.000 0.433 290 A N -0.773 121.883 122.820 -0.273 0.000 2.119 290 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 290 A C 1.270 178.790 177.584 -0.106 0.000 1.152 290 A CA 0.775 52.703 52.037 -0.182 0.000 0.708 290 A CB -0.681 18.201 19.000 -0.197 0.000 0.805 290 A HN 0.705 nan 8.150 nan 0.000 0.460 291 N N -1.475 117.146 118.700 -0.131 0.000 2.735 291 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 291 N C -0.703 174.980 175.510 0.289 0.000 1.083 291 N CA 0.788 53.932 53.050 0.157 0.000 0.703 291 N CB -1.836 36.729 38.487 0.130 0.000 1.005 291 N HN 0.490 nan 8.380 nan 0.000 0.550 292 L N 0.090 121.468 121.223 0.257 0.000 2.334 292 L HA 0.655 4.995 4.340 -0.000 0.000 0.273 292 L C -1.740 175.209 176.870 0.132 0.000 1.013 292 L CA -1.942 52.959 54.840 0.103 0.000 0.816 292 L CB 1.701 43.711 42.059 -0.083 0.000 1.278 292 L HN -0.007 nan 8.230 nan 0.000 0.431 293 P HA 0.151 nan 4.420 nan 0.000 0.274 293 P C -1.121 175.839 177.300 -0.567 0.000 1.237 293 P CA -0.218 62.219 63.100 -1.104 0.000 0.793 293 P CB 1.620 32.758 31.700 -0.938 0.000 0.977 294 V N 3.328 122.872 119.914 -0.616 0.000 2.623 294 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 294 V C 0.177 176.317 176.094 0.077 0.000 1.054 294 V CA -0.469 61.847 62.300 0.026 0.000 0.882 294 V CB 1.752 33.807 31.823 0.387 0.000 1.002 294 V HN 0.387 nan 8.190 nan 0.000 0.424 295 I N 4.013 124.644 120.570 0.100 0.000 2.389 295 I HA 0.398 4.568 4.170 -0.000 0.000 0.288 295 I C -0.164 176.028 176.117 0.125 0.000 0.999 295 I CA -0.317 61.062 61.300 0.133 0.000 1.129 295 I CB 1.637 39.689 38.000 0.086 0.000 1.288 295 I HN 0.646 nan 8.210 nan 0.000 0.444 296 C N 6.358 125.734 119.300 0.126 0.000 2.325 296 C HA 0.759 5.219 4.460 -0.000 0.000 0.347 296 C C 1.027 176.076 174.990 0.099 0.000 1.263 296 C CA -0.076 58.983 59.018 0.067 0.000 1.806 296 C CB -0.609 27.156 27.740 0.041 0.000 2.405 296 C HN 0.976 nan 8.230 nan 0.000 0.537 297 G N 3.474 112.315 108.800 0.069 0.000 2.695 297 G HA2 0.730 4.690 3.960 -0.000 0.000 0.213 297 G HA3 0.730 4.690 3.960 -0.000 0.000 0.213 297 G C -0.342 174.581 174.900 0.037 0.000 1.406 297 G CA 0.234 45.378 45.100 0.073 0.000 1.049 297 G HN 1.403 nan 8.290 nan 0.000 0.573 298 C N -3.005 116.300 119.300 0.008 0.000 3.318 298 C HA 0.746 5.206 4.460 -0.000 0.000 0.322 298 C C -0.428 174.530 174.990 -0.054 0.000 1.398 298 C CA -1.073 57.946 59.018 0.002 0.000 1.339 298 C CB 1.184 28.949 27.740 0.043 0.000 1.668 298 C HN 0.479 nan 8.230 nan 0.000 0.462 299 M N 2.644 122.225 119.600 -0.032 0.000 2.901 299 M HA 0.256 4.736 4.480 -0.000 0.000 0.294 299 M C 0.113 176.399 176.300 -0.024 0.000 1.255 299 M CA -0.318 54.944 55.300 -0.062 0.000 1.274 299 M CB 0.364 32.953 32.600 -0.019 0.000 1.173 299 M HN 0.699 nan 8.290 nan 0.000 0.525 300 V N 2.429 122.331 119.914 -0.021 0.000 3.393 300 V HA -0.137 3.983 4.120 -0.000 0.000 0.277 300 V C 1.070 177.169 176.094 0.008 0.000 1.257 300 V CA 1.101 63.410 62.300 0.015 0.000 1.316 300 V CB -1.607 30.208 31.823 -0.014 0.000 0.755 300 V HN 0.961 nan 8.190 nan 0.000 0.370 301 G N 3.345 112.156 108.800 0.019 0.000 2.749 301 G HA2 0.716 4.676 3.960 -0.000 0.000 0.300 301 G HA3 0.716 4.676 3.960 -0.000 0.000 0.300 301 G C -0.220 174.696 174.900 0.027 0.000 1.352 301 G CA -0.046 45.065 45.100 0.018 0.000 0.789 301 G HN 1.000 nan 8.290 nan 0.000 0.509 302 S N -1.224 114.504 115.700 0.046 0.000 2.625 302 S HA 0.431 4.901 4.470 -0.000 0.000 0.258 302 S C 1.862 176.521 174.600 0.098 0.000 1.256 302 S CA 0.721 58.971 58.200 0.083 0.000 0.983 302 S CB 0.534 63.785 63.200 0.085 0.000 1.032 302 S HN 1.583 nan 8.310 nan 0.000 0.572 303 G N -0.571 108.300 108.800 0.119 0.000 2.471 303 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.219 303 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.219 303 G C 1.171 176.119 174.900 0.080 0.000 1.125 303 G CA 0.696 45.873 45.100 0.130 0.000 0.775 303 G HN 0.561 nan 8.290 nan 0.000 0.548 304 L N 0.450 121.709 121.223 0.059 0.000 2.095 304 L HA 0.144 4.484 4.340 -0.000 0.000 0.204 304 L C 2.438 179.306 176.870 -0.003 0.000 1.080 304 L CA 1.833 56.693 54.840 0.033 0.000 0.759 304 L CB -0.407 41.677 42.059 0.041 0.000 0.914 304 L HN 0.197 nan 8.230 nan 0.000 0.439 305 E N 0.185 120.393 120.200 0.013 0.000 2.110 305 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 305 E C 1.883 178.446 176.600 -0.062 0.000 0.988 305 E CA 1.328 57.717 56.400 -0.017 0.000 0.804 305 E CB 0.017 29.733 29.700 0.027 0.000 0.745 305 E HN 0.568 nan 8.360 nan 0.000 0.458 306 A N 0.128 122.953 122.820 0.008 0.000 2.119 306 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 306 A C 2.364 179.928 177.584 -0.034 0.000 1.152 306 A CA 1.061 53.119 52.037 0.035 0.000 0.708 306 A CB -0.169 18.949 19.000 0.195 0.000 0.805 306 A HN 0.227 nan 8.150 nan 0.000 0.460 307 S N 0.766 116.432 115.700 -0.056 0.000 2.355 307 S HA -0.074 4.396 4.470 -0.000 0.000 0.222 307 S C -0.351 174.228 174.600 -0.035 0.000 1.031 307 S CA 1.629 59.799 58.200 -0.049 0.000 0.993 307 S CB -1.097 62.116 63.200 0.021 0.000 0.859 307 S HN 0.452 nan 8.310 nan 0.000 0.453 308 P HA -0.072 nan 4.420 nan 0.000 0.215 308 P C 1.499 178.713 177.300 -0.143 0.000 1.157 308 P CA 1.561 64.489 63.100 -0.287 0.000 0.868 308 P CB -0.126 30.960 31.700 -1.023 0.000 0.788 309 A N -0.167 122.548 122.820 -0.175 0.000 1.933 309 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 309 A C 2.325 179.886 177.584 -0.038 0.000 1.175 309 A CA 2.083 54.077 52.037 -0.072 0.000 0.628 309 A CB -1.655 17.314 19.000 -0.052 0.000 0.814 309 A HN 0.183 nan 8.150 nan 0.000 0.444 310 A N -0.887 121.886 122.820 -0.079 0.000 1.908 310 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 310 A C 2.083 179.595 177.584 -0.119 0.000 1.181 310 A CA 1.745 53.700 52.037 -0.137 0.000 0.627 310 A CB -0.967 17.892 19.000 -0.235 0.000 0.818 310 A HN 0.678 nan 8.150 nan 0.000 0.445 311 H N -1.323 117.759 119.070 0.020 0.000 2.357 311 H HA -0.089 4.467 4.556 -0.000 0.000 0.301 311 H C 2.141 177.516 175.328 0.078 0.000 1.082 311 H CA 1.777 57.887 56.048 0.103 0.000 1.342 311 H CB -0.454 29.355 29.762 0.078 0.000 1.389 311 H HN 0.431 nan 8.280 nan 0.000 0.511 312 L N 1.087 122.397 121.223 0.145 0.000 2.017 312 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 312 L C 2.316 179.233 176.870 0.079 0.000 1.073 312 L CA 1.283 56.182 54.840 0.099 0.000 0.745 312 L CB -0.778 41.317 42.059 0.059 0.000 0.894 312 L HN 0.119 nan 8.230 nan 0.000 0.432 313 L N -0.723 120.528 121.223 0.045 0.000 2.191 313 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 313 L C 2.473 179.339 176.870 -0.005 0.000 1.103 313 L CA 0.973 55.829 54.840 0.027 0.000 0.769 313 L CB -0.840 41.225 42.059 0.010 0.000 0.908 313 L HN 0.395 nan 8.230 nan 0.000 0.438 314 A N -0.613 122.197 122.820 -0.018 0.000 2.030 314 A HA 0.221 4.541 4.320 -0.000 0.000 0.215 314 A C 2.365 179.921 177.584 -0.046 0.000 1.164 314 A CA 1.086 53.080 52.037 -0.072 0.000 0.697 314 A CB -0.176 18.743 19.000 -0.136 0.000 0.827 314 A HN 0.337 nan 8.150 nan 0.000 0.457 315 A N -0.239 122.603 122.820 0.036 0.000 1.901 315 A HA 0.107 4.427 4.320 -0.000 0.000 0.210 315 A C 1.174 178.802 177.584 0.073 0.000 1.208 315 A CA 0.203 52.281 52.037 0.069 0.000 0.644 315 A CB -0.397 18.695 19.000 0.153 0.000 0.863 315 A HN 0.440 nan 8.150 nan 0.000 0.454 316 N N 1.042 119.799 118.700 0.095 0.000 2.434 316 N HA -0.073 4.667 4.740 -0.000 0.000 0.268 316 N C 0.140 175.716 175.510 0.110 0.000 1.256 316 N CA 0.516 53.642 53.050 0.126 0.000 0.914 316 N CB 0.809 39.395 38.487 0.165 0.000 1.088 316 N HN 0.361 nan 8.380 nan 0.000 0.478 317 D N 4.545 125.016 120.400 0.119 0.000 2.123 317 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 317 D C 1.603 177.960 176.300 0.095 0.000 0.992 317 D CA 1.305 55.356 54.000 0.085 0.000 0.833 317 D CB -0.030 40.834 40.800 0.108 0.000 0.954 317 D HN 0.687 nan 8.370 nan 0.000 0.455 318 W N 0.727 122.058 121.300 0.051 0.000 2.354 318 W HA -0.137 4.523 4.660 -0.000 0.000 0.315 318 W C 2.076 178.664 176.519 0.116 0.000 1.206 318 W CA 0.668 58.068 57.345 0.092 0.000 1.290 318 W CB -0.624 28.933 29.460 0.161 0.000 1.152 318 W HN 0.032 nan 8.180 nan 0.000 0.489 319 I N 1.498 122.191 120.570 0.206 0.000 2.756 319 I HA -0.186 3.984 4.170 -0.000 0.000 0.262 319 I C 2.235 178.340 176.117 -0.021 0.000 1.225 319 I CA 1.273 62.684 61.300 0.186 0.000 1.472 319 I CB -0.399 37.756 38.000 0.258 0.000 1.094 319 I HN -0.042 nan 8.210 nan 0.000 0.454 320 A N -0.328 122.423 122.820 -0.116 0.000 2.239 320 A HA -0.131 4.189 4.320 -0.000 0.000 0.209 320 A C 1.947 179.328 177.584 -0.339 0.000 1.171 320 A CA 0.775 52.712 52.037 -0.166 0.000 0.768 320 A CB -0.417 18.511 19.000 -0.120 0.000 0.790 320 A HN 0.594 nan 8.150 nan 0.000 0.478 321 Q N -1.463 117.927 119.800 -0.684 0.000 2.408 321 Q HA 0.200 4.540 4.340 -0.000 0.000 0.205 321 Q C -0.876 174.492 176.000 -1.054 0.000 0.919 321 Q CA 0.223 55.403 55.803 -1.037 0.000 0.932 321 Q CB 0.351 28.083 28.738 -1.678 0.000 1.058 321 Q HN 0.692 nan 8.270 nan 0.000 0.517 322 F N 0.709 120.580 119.950 -0.133 0.000 2.577 322 F HA 0.445 4.972 4.527 -0.000 0.000 0.318 322 F C -2.246 173.552 175.800 -0.004 0.000 1.065 322 F CA -3.433 54.530 58.000 -0.062 0.000 0.929 322 F CB 0.664 39.639 39.000 -0.043 0.000 1.237 322 F HN -0.220 nan 8.300 nan 0.000 0.468 323 P HA 0.088 nan 4.420 nan 0.000 0.269 323 P C -1.058 176.459 177.300 0.363 0.000 1.209 323 P CA -0.105 63.132 63.100 0.228 0.000 0.776 323 P CB 1.114 33.032 31.700 0.363 0.000 0.876 324 Q N 0.946 120.911 119.800 0.275 0.000 2.486 324 Q HA 0.340 4.680 4.340 -0.000 0.000 0.274 324 Q C 0.139 176.333 176.000 0.322 0.000 1.076 324 Q CA -0.469 55.505 55.803 0.285 0.000 0.872 324 Q CB 1.328 30.160 28.738 0.157 0.000 1.383 324 Q HN 0.534 nan 8.270 nan 0.000 0.478 325 E N 1.076 121.449 120.200 0.289 0.000 3.428 325 E HA 0.068 4.418 4.350 -0.000 0.000 0.191 325 E C -0.873 175.833 176.600 0.175 0.000 0.980 325 E CA -0.122 56.432 56.400 0.257 0.000 1.305 325 E CB 0.210 30.142 29.700 0.388 0.000 1.105 325 E HN 0.479 nan 8.360 nan 0.000 0.455 326 N N 0.737 119.536 118.700 0.164 0.000 2.719 326 N HA 0.260 5.000 4.740 -0.000 0.000 0.243 326 N C -0.739 174.904 175.510 0.222 0.000 1.104 326 N CA 0.100 53.241 53.050 0.151 0.000 0.981 326 N CB 0.700 39.259 38.487 0.119 0.000 1.290 326 N HN 0.133 nan 8.380 nan 0.000 0.513 327 A N 1.797 124.669 122.820 0.086 0.000 3.045 327 A HA 0.439 4.759 4.320 -0.000 0.000 0.244 327 A C 1.372 178.719 177.584 -0.395 0.000 0.917 327 A CA -0.282 51.662 52.037 -0.154 0.000 1.075 327 A CB -0.274 18.559 19.000 -0.278 0.000 1.202 327 A HN 0.555 nan 8.150 nan 0.000 0.486 328 G N 1.477 110.207 108.800 -0.117 0.000 2.446 328 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 328 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 328 G C -0.333 174.472 174.900 -0.158 0.000 1.168 328 G CA 1.526 46.596 45.100 -0.050 0.000 0.771 328 G HN 0.478 nan 8.290 nan 0.000 0.551 329 P HA -0.058 nan 4.420 nan 0.000 0.217 329 P C 1.942 179.126 177.300 -0.193 0.000 1.148 329 P CA 0.706 63.743 63.100 -0.104 0.000 0.828 329 P CB -0.089 31.567 31.700 -0.073 0.000 0.783 330 L N -2.256 118.661 121.223 -0.509 0.000 2.217 330 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 330 L C 2.293 178.974 176.870 -0.314 0.000 1.107 330 L CA 1.448 56.020 54.840 -0.447 0.000 0.783 330 L CB -0.908 40.782 42.059 -0.615 0.000 0.919 330 L HN 0.184 nan 8.230 nan 0.000 0.442 331 H N -0.524 118.438 119.070 -0.181 0.000 2.372 331 H HA -0.024 4.532 4.556 -0.000 0.000 0.301 331 H C 2.376 177.612 175.328 -0.153 0.000 1.065 331 H CA 0.955 56.911 56.048 -0.152 0.000 1.364 331 H CB 0.254 29.932 29.762 -0.140 0.000 1.406 331 H HN 0.172 nan 8.280 nan 0.000 0.521 332 I N 0.460 120.979 120.570 -0.085 0.000 2.179 332 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 332 I C 1.373 177.275 176.117 -0.358 0.000 1.088 332 I CA 1.266 62.417 61.300 -0.250 0.000 1.357 332 I CB -0.173 37.590 38.000 -0.395 0.000 1.051 332 I HN 0.465 nan 8.210 nan 0.000 0.409 333 H N 0.337 119.375 119.070 -0.053 0.000 2.524 333 H HA 0.046 4.602 4.556 -0.000 0.000 0.280 333 H C -0.067 175.230 175.328 -0.052 0.000 1.018 333 H CA 0.095 56.114 56.048 -0.049 0.000 1.165 333 H CB -0.461 29.267 29.762 -0.055 0.000 1.411 333 H HN 0.238 nan 8.280 nan 0.000 0.569 334 D N 1.375 121.774 120.400 -0.002 0.000 2.810 334 D HA -0.188 4.452 4.640 -0.000 0.000 0.224 334 D C -0.271 176.023 176.300 -0.011 0.000 1.222 334 D CA 0.629 54.622 54.000 -0.013 0.000 0.698 334 D CB -1.214 39.578 40.800 -0.012 0.000 0.961 334 D HN 0.532 nan 8.370 nan 0.000 0.403 335 C N -1.719 117.563 119.300 -0.031 0.000 3.291 335 C HA 0.697 5.157 4.460 -0.000 0.000 0.316 335 C C 1.417 176.374 174.990 -0.054 0.000 1.391 335 C CA -1.123 57.880 59.018 -0.025 0.000 1.394 335 C CB 1.059 28.799 27.740 0.000 0.000 1.744 335 C HN 0.224 nan 8.230 nan 0.000 0.461 336 L N 1.385 122.611 121.223 0.006 0.000 2.640 336 L HA 0.282 4.622 4.340 -0.000 0.000 0.230 336 L C 0.082 177.076 176.870 0.207 0.000 1.123 336 L CA 0.412 55.307 54.840 0.091 0.000 0.900 336 L CB -0.605 41.547 42.059 0.155 0.000 1.146 336 L HN 0.947 nan 8.230 nan 0.000 0.484 337 N N -3.595 115.172 118.700 0.112 0.000 2.591 337 N HA 0.076 4.816 4.740 -0.000 0.000 0.263 337 N C 0.317 175.889 175.510 0.103 0.000 1.308 337 N CA -0.201 52.938 53.050 0.150 0.000 0.837 337 N CB 0.816 39.375 38.487 0.121 0.000 1.548 337 N HN -0.138 nan 8.380 nan 0.000 0.493 338 S N -0.238 115.568 115.700 0.176 0.000 2.489 338 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 338 S C 1.423 176.052 174.600 0.049 0.000 0.995 338 S CA 0.468 58.748 58.200 0.133 0.000 0.934 338 S CB -0.537 62.828 63.200 0.275 0.000 0.771 338 S HN 0.742 nan 8.310 nan 0.000 0.522 339 R N 1.361 121.885 120.500 0.041 0.000 2.189 339 R HA 0.047 4.387 4.340 -0.000 0.000 0.223 339 R C 0.279 176.575 176.300 -0.008 0.000 1.092 339 R CA 1.369 57.474 56.100 0.008 0.000 0.989 339 R CB -0.677 29.627 30.300 0.007 0.000 0.876 339 R HN 0.261 nan 8.270 nan 0.000 0.457 340 D N 1.095 121.492 120.400 -0.004 0.000 2.352 340 D HA 0.196 4.836 4.640 -0.000 0.000 0.236 340 D C -0.083 176.187 176.300 -0.051 0.000 1.148 340 D CA 0.408 54.399 54.000 -0.015 0.000 0.844 340 D CB 0.153 40.954 40.800 0.001 0.000 0.933 340 D HN 0.312 nan 8.370 nan 0.000 0.507 341 I N 0.477 120.991 120.570 -0.093 0.000 2.498 341 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 341 I C -0.014 175.997 176.117 -0.176 0.000 1.032 341 I CA -0.563 60.604 61.300 -0.223 0.000 1.073 341 I CB 2.126 39.918 38.000 -0.347 0.000 1.251 341 I HN -0.255 nan 8.210 nan 0.000 0.426 342 D N 1.950 122.245 120.400 -0.176 0.000 2.460 342 D HA -0.008 4.632 4.640 -0.000 0.000 0.263 342 D C 0.283 176.538 176.300 -0.075 0.000 1.209 342 D CA -0.110 53.833 54.000 -0.096 0.000 0.818 342 D CB 0.241 41.011 40.800 -0.050 0.000 1.239 342 D HN 0.352 nan 8.370 nan 0.000 0.530 343 N N 0.558 119.199 118.700 -0.098 0.000 2.644 343 N HA 0.145 4.885 4.740 -0.000 0.000 0.313 343 N C -1.448 174.113 175.510 0.086 0.000 1.863 343 N CA -0.154 52.900 53.050 0.007 0.000 0.918 343 N CB 0.611 39.133 38.487 0.058 0.000 1.320 343 N HN 0.093 nan 8.380 nan 0.000 0.490 344 D N 0.100 120.507 120.400 0.012 0.000 2.228 344 D HA 0.217 4.857 4.640 -0.000 0.000 0.247 344 D C 1.965 178.314 176.300 0.081 0.000 0.995 344 D CA -0.730 53.342 54.000 0.121 0.000 0.903 344 D CB 1.633 42.473 40.800 0.066 0.000 1.205 344 D HN 0.284 nan 8.370 nan 0.000 0.459 345 I N -0.143 120.482 120.570 0.093 0.000 2.700 345 I HA 0.113 4.283 4.170 -0.000 0.000 0.261 345 I C 0.667 176.814 176.117 0.050 0.000 1.219 345 I CA 0.300 61.637 61.300 0.062 0.000 1.463 345 I CB -0.304 37.731 38.000 0.058 0.000 1.092 345 I HN 0.158 nan 8.210 nan 0.000 0.452 346 A N 1.270 124.123 122.820 0.055 0.000 2.276 346 A HA 0.549 4.869 4.320 -0.000 0.000 0.300 346 A C 0.912 178.513 177.584 0.028 0.000 1.235 346 A CA -0.562 51.501 52.037 0.044 0.000 0.867 346 A CB 0.618 19.652 19.000 0.055 0.000 1.137 346 A HN 0.417 nan 8.150 nan 0.000 0.527 347 L N 1.628 122.863 121.223 0.021 0.000 2.141 347 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 347 L C 0.753 177.627 176.870 0.006 0.000 1.094 347 L CA 0.874 55.720 54.840 0.010 0.000 0.763 347 L CB -0.255 41.810 42.059 0.010 0.000 0.908 347 L HN 0.881 nan 8.230 nan 0.000 0.437 348 N N -0.535 118.173 118.700 0.014 0.000 2.976 348 N HA 0.164 4.904 4.740 -0.000 0.000 0.255 348 N C -0.752 174.774 175.510 0.027 0.000 1.312 348 N CA -0.373 52.685 53.050 0.013 0.000 0.897 348 N CB 0.388 38.881 38.487 0.011 0.000 1.184 348 N HN -0.228 nan 8.380 nan 0.000 0.497 349 V N 1.860 121.797 119.914 0.037 0.000 2.694 349 V HA 0.089 4.209 4.120 -0.000 0.000 0.306 349 V C -1.655 174.488 176.094 0.082 0.000 1.054 349 V CA -0.633 61.717 62.300 0.084 0.000 1.161 349 V CB -0.015 31.870 31.823 0.103 0.000 0.916 349 V HN 0.434 nan 8.190 nan 0.000 0.490 350 P HA 0.058 nan 4.420 nan 0.000 0.266 350 P C -0.169 177.077 177.300 -0.089 0.000 1.193 350 P CA -0.161 62.901 63.100 -0.063 0.000 0.770 350 P CB 0.325 31.919 31.700 -0.178 0.000 0.836 351 R N 3.104 123.547 120.500 -0.095 0.000 2.404 351 R HA 0.167 4.507 4.340 -0.000 0.000 0.315 351 R C -1.056 175.212 176.300 -0.054 0.000 1.032 351 R CA 0.223 56.304 56.100 -0.031 0.000 0.992 351 R CB -0.502 29.735 30.300 -0.105 0.000 0.959 351 R HN 0.304 nan 8.270 nan 0.000 0.428 352 F N 3.624 123.644 119.950 0.117 0.000 2.375 352 F HA 0.334 4.861 4.527 -0.000 0.000 0.361 352 F C -0.018 175.848 175.800 0.110 0.000 1.117 352 F CA -0.364 57.712 58.000 0.128 0.000 1.037 352 F CB 1.608 40.667 39.000 0.097 0.000 1.192 352 F HN 0.559 nan 8.300 nan 0.000 0.452 353 E N 1.536 121.901 120.200 0.275 0.000 2.354 353 E HA 0.458 4.808 4.350 -0.000 0.000 0.283 353 E C 0.287 176.971 176.600 0.141 0.000 0.938 353 E CA -0.298 56.207 56.400 0.175 0.000 0.777 353 E CB 1.815 31.593 29.700 0.131 0.000 1.222 353 E HN 0.748 nan 8.360 nan 0.000 0.423 354 G N 2.441 111.250 108.800 0.016 0.000 2.225 354 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.267 354 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.267 354 G C 0.902 175.672 174.900 -0.216 0.000 1.024 354 G CA 0.818 45.906 45.100 -0.021 0.000 0.784 354 G HN 1.660 nan 8.290 nan 0.000 0.507 355 G N -2.755 105.656 108.800 -0.649 0.000 2.143 355 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 355 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 355 G C 0.116 174.586 174.900 -0.716 0.000 0.991 355 G CA 0.853 45.191 45.100 -1.270 0.000 0.689 355 G HN 1.373 nan 8.290 nan 0.000 0.522 356 Y N -1.682 118.487 120.300 -0.218 0.000 2.536 356 Y HA 0.720 5.270 4.550 -0.000 0.000 0.347 356 Y C 0.064 175.849 175.900 -0.192 0.000 1.000 356 Y CA -1.295 56.686 58.100 -0.198 0.000 1.051 356 Y CB 1.969 40.245 38.460 -0.306 0.000 1.259 356 Y HN 0.252 nan 8.280 nan 0.000 0.468 357 L N 2.943 124.069 121.223 -0.162 0.000 2.341 357 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 357 L C -2.015 174.628 176.870 -0.378 0.000 1.005 357 L CA -0.983 53.671 54.840 -0.311 0.000 0.818 357 L CB 0.565 42.429 42.059 -0.326 0.000 1.259 357 L HN 0.499 nan 8.230 nan 0.000 0.418 358 Y N 5.901 126.037 120.300 -0.273 0.000 2.335 358 Y HA 0.561 5.111 4.550 -0.000 0.000 0.338 358 Y C -2.050 173.713 175.900 -0.228 0.000 0.977 358 Y CA -2.143 55.838 58.100 -0.198 0.000 1.114 358 Y CB 1.339 39.709 38.460 -0.148 0.000 1.182 358 Y HN 0.531 nan 8.280 nan 0.000 0.463 359 P HA 0.029 nan 4.420 nan 0.000 0.275 359 P C -0.783 176.501 177.300 -0.026 0.000 1.228 359 P CA -0.170 62.834 63.100 -0.159 0.000 0.786 359 P CB 1.032 32.625 31.700 -0.179 0.000 0.927 360 N N 1.224 119.888 118.700 -0.061 0.000 2.453 360 N HA 0.008 4.748 4.740 -0.000 0.000 0.253 360 N C 0.519 176.132 175.510 0.173 0.000 1.252 360 N CA -0.183 52.895 53.050 0.047 0.000 0.917 360 N CB 0.452 38.965 38.487 0.043 0.000 1.117 360 N HN 0.428 nan 8.380 nan 0.000 0.442 361 D N 0.250 120.739 120.400 0.147 0.000 2.395 361 D HA 0.088 4.728 4.640 -0.000 0.000 0.213 361 D C 0.845 177.185 176.300 0.067 0.000 1.110 361 D CA 0.012 54.116 54.000 0.173 0.000 0.835 361 D CB 0.341 41.244 40.800 0.172 0.000 0.965 361 D HN 0.529 nan 8.370 nan 0.000 0.505 362 G N 1.640 110.469 108.800 0.048 0.000 2.616 362 G HA2 0.338 4.298 3.960 -0.000 0.000 0.268 362 G HA3 0.338 4.298 3.960 -0.000 0.000 0.268 362 G C -2.565 172.318 174.900 -0.028 0.000 1.213 362 G CA -0.848 44.260 45.100 0.013 0.000 0.926 362 G HN -0.119 nan 8.290 nan 0.000 0.523 363 P HA 0.278 nan 4.420 nan 0.000 0.269 363 P C 1.001 178.250 177.300 -0.085 0.000 1.215 363 P CA 1.326 64.388 63.100 -0.065 0.000 0.780 363 P CB 0.682 32.360 31.700 -0.036 0.000 0.898 364 G N 1.154 109.874 108.800 -0.133 0.000 2.566 364 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.280 364 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.280 364 G C 0.803 175.591 174.900 -0.187 0.000 1.225 364 G CA 0.158 45.171 45.100 -0.145 0.000 0.966 364 G HN 0.487 nan 8.290 nan 0.000 0.560 365 L N 1.903 123.072 121.223 -0.090 0.000 2.362 365 L HA 0.267 4.607 4.340 -0.000 0.000 0.219 365 L C 2.437 179.411 176.870 0.173 0.000 1.134 365 L CA 1.267 56.121 54.840 0.024 0.000 0.807 365 L CB -0.656 41.429 42.059 0.044 0.000 0.927 365 L HN 2.106 nan 8.230 nan 0.000 0.447 366 G N 0.579 109.417 108.800 0.063 0.000 2.160 366 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 366 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 366 G C 0.036 174.967 174.900 0.052 0.000 1.022 366 G CA -0.226 44.913 45.100 0.066 0.000 0.741 366 G HN 0.160 nan 8.290 nan 0.000 0.508 367 I N 0.492 121.086 120.570 0.040 0.000 2.433 367 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 367 I C -0.203 175.927 176.117 0.021 0.000 1.001 367 I CA -0.951 60.369 61.300 0.033 0.000 1.119 367 I CB 1.710 39.732 38.000 0.037 0.000 1.289 367 I HN 0.032 nan 8.210 nan 0.000 0.438 368 E N 6.620 126.832 120.200 0.020 0.000 2.133 368 E HA 0.445 4.795 4.350 -0.000 0.000 0.274 368 E C -0.552 176.059 176.600 0.019 0.000 0.930 368 E CA -0.694 55.715 56.400 0.016 0.000 0.770 368 E CB 2.560 32.268 29.700 0.013 0.000 1.104 368 E HN 0.440 nan 8.360 nan 0.000 0.403 369 L N 2.612 123.846 121.223 0.019 0.000 2.395 369 L HA 0.175 4.515 4.340 -0.000 0.000 0.269 369 L C 0.838 177.722 176.870 0.023 0.000 1.133 369 L CA -0.492 54.362 54.840 0.024 0.000 0.812 369 L CB 0.523 42.597 42.059 0.025 0.000 1.125 369 L HN 0.327 nan 8.230 nan 0.000 0.452 370 N N 2.349 121.065 118.700 0.026 0.000 2.602 370 N HA 0.006 4.746 4.740 -0.000 0.000 0.238 370 N C 0.752 176.278 175.510 0.026 0.000 1.084 370 N CA -0.116 52.948 53.050 0.024 0.000 0.952 370 N CB 0.751 39.252 38.487 0.025 0.000 1.244 370 N HN 0.493 nan 8.380 nan 0.000 0.512 371 E N 2.188 122.403 120.200 0.025 0.000 2.085 371 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 371 E C 0.855 177.471 176.600 0.026 0.000 0.994 371 E CA 1.642 58.058 56.400 0.027 0.000 0.801 371 E CB -0.025 29.692 29.700 0.028 0.000 0.743 371 E HN 0.806 nan 8.360 nan 0.000 0.453 372 D N 0.487 120.901 120.400 0.023 0.000 2.178 372 D HA -0.159 4.481 4.640 -0.000 0.000 0.202 372 D C 2.039 178.352 176.300 0.023 0.000 0.974 372 D CA 0.485 54.498 54.000 0.021 0.000 0.841 372 D CB -0.366 40.444 40.800 0.018 0.000 0.953 372 D HN 0.090 nan 8.370 nan 0.000 0.478 373 L N 0.626 121.864 121.223 0.026 0.000 2.056 373 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 373 L C 2.169 179.057 176.870 0.031 0.000 1.078 373 L CA 1.161 56.018 54.840 0.029 0.000 0.749 373 L CB -0.356 41.724 42.059 0.034 0.000 0.901 373 L HN 0.036 nan 8.230 nan 0.000 0.433 374 V N 0.004 119.937 119.914 0.032 0.000 2.287 374 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 374 V C 2.759 178.870 176.094 0.030 0.000 1.053 374 V CA 2.166 64.486 62.300 0.033 0.000 1.027 374 V CB -0.696 31.148 31.823 0.035 0.000 0.646 374 V HN 0.458 nan 8.190 nan 0.000 0.447 375 R N -0.420 120.096 120.500 0.028 0.000 2.091 375 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 375 R C 2.530 178.843 176.300 0.022 0.000 1.136 375 R CA 1.501 57.615 56.100 0.025 0.000 0.959 375 R CB -0.312 30.001 30.300 0.023 0.000 0.856 375 R HN 0.484 nan 8.270 nan 0.000 0.437 376 R N 0.286 120.799 120.500 0.021 0.000 2.148 376 R HA -0.039 4.301 4.340 -0.000 0.000 0.227 376 R C 1.858 178.170 176.300 0.019 0.000 1.103 376 R CA 0.843 56.954 56.100 0.019 0.000 0.983 376 R CB -0.057 30.255 30.300 0.019 0.000 0.874 376 R HN 0.246 nan 8.270 nan 0.000 0.451 377 L N 1.019 122.255 121.223 0.022 0.000 2.592 377 L HA 0.101 4.441 4.340 -0.000 0.000 0.227 377 L C 0.250 177.132 176.870 0.020 0.000 1.127 377 L CA -0.293 54.559 54.840 0.020 0.000 0.884 377 L CB 0.362 42.435 42.059 0.023 0.000 1.065 377 L HN -0.117 nan 8.230 nan 0.000 0.457 378 V N 1.119 121.046 119.914 0.020 0.000 2.584 378 V HA -0.120 3.999 4.120 -0.000 0.000 0.303 378 V C 0.916 177.020 176.094 0.017 0.000 1.035 378 V CA 0.463 62.775 62.300 0.020 0.000 1.172 378 V CB 0.258 32.093 31.823 0.020 0.000 0.896 378 V HN 0.283 nan 8.190 nan 0.000 0.486 379 T N 9.015 123.579 114.554 0.017 0.000 2.866 379 T HA 0.058 4.408 4.350 -0.000 0.000 0.293 379 T C -2.099 172.608 174.700 0.013 0.000 1.005 379 T CA -0.302 61.806 62.100 0.014 0.000 1.162 379 T CB 0.197 69.074 68.868 0.015 0.000 0.968 379 T HN 0.544 nan 8.240 nan 0.000 0.530 380 P HA 0.181 nan 4.420 nan 0.000 0.262 380 P C 1.066 178.371 177.300 0.010 0.000 1.182 380 P CA 0.873 63.979 63.100 0.010 0.000 0.761 380 P CB 0.250 31.955 31.700 0.009 0.000 0.795 381 G N 1.899 110.705 108.800 0.009 0.000 2.199 381 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 381 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 381 G C 0.192 175.098 174.900 0.009 0.000 0.982 381 G CA 0.036 45.142 45.100 0.009 0.000 0.632 381 G HN 0.536 nan 8.290 nan 0.000 0.529 382 K N -0.073 120.333 120.400 0.011 0.000 2.316 382 K HA 0.893 5.213 4.320 -0.000 0.000 0.234 382 K C -0.100 176.508 176.600 0.013 0.000 1.054 382 K CA -0.217 56.078 56.287 0.012 0.000 0.879 382 K CB 2.132 34.641 32.500 0.014 0.000 1.252 382 K HN 0.841 nan 8.250 nan 0.000 0.471 383 A N 0.151 122.980 122.820 0.014 0.000 2.609 383 A HA 0.697 5.017 4.320 -0.000 0.000 0.291 383 A C -1.485 176.110 177.584 0.018 0.000 1.096 383 A CA -0.731 51.315 52.037 0.015 0.000 0.684 383 A CB 1.215 20.222 19.000 0.011 0.000 1.282 383 A HN 0.687 nan 8.150 nan 0.000 0.412 384 A N 0.262 123.095 122.820 0.022 0.000 2.466 384 A HA 0.596 4.916 4.320 -0.000 0.000 0.238 384 A C 0.386 177.984 177.584 0.023 0.000 1.074 384 A CA 0.325 52.378 52.037 0.027 0.000 0.774 384 A CB 0.025 19.045 19.000 0.034 0.000 1.015 384 A HN 1.170 nan 8.150 nan 0.000 0.498 385 R N 0.961 121.477 120.500 0.027 0.000 2.494 385 R HA 0.603 4.943 4.340 -0.000 0.000 0.305 385 R C -1.746 174.569 176.300 0.025 0.000 0.959 385 R CA -0.215 55.897 56.100 0.020 0.000 0.864 385 R CB 1.389 31.699 30.300 0.017 0.000 1.159 385 R HN 0.476 nan 8.270 nan 0.000 0.446 386 V N 4.793 124.714 119.914 0.013 0.000 2.604 386 V HA 0.616 4.736 4.120 -0.000 0.000 0.305 386 V C -0.882 175.212 176.094 0.000 0.000 1.043 386 V CA -0.783 61.522 62.300 0.009 0.000 0.888 386 V CB 2.102 33.918 31.823 -0.011 0.000 0.995 386 V HN 0.574 nan 8.190 nan 0.000 0.429 387 V N 3.528 123.447 119.914 0.007 0.000 2.638 387 V HA 0.790 4.910 4.120 -0.000 0.000 0.306 387 V C 0.041 176.135 176.094 0.001 0.000 1.052 387 V CA -0.267 62.033 62.300 0.000 0.000 0.885 387 V CB 2.302 34.128 31.823 0.005 0.000 0.999 387 V HN 1.082 nan 8.190 nan 0.000 0.424 388 T N 0.000 114.549 114.554 -0.009 0.000 3.816 388 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 388 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 388 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 388 T HN 0.000 nan 8.240 nan 0.000 0.658