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 2gh5_1_B DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT CVNVGCVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R 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 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.019 176.094 -0.125 0.000 1.182 18 V CA 0.000 62.237 62.300 -0.105 0.000 1.235 18 V CB 0.000 31.785 31.823 -0.063 0.000 1.184 19 A N 2.975 125.670 122.820 -0.208 0.000 2.546 19 A HA 0.721 5.041 4.320 0.000 0.000 0.243 19 A C 0.685 178.203 177.584 -0.110 0.000 1.063 19 A CA 0.711 52.628 52.037 -0.200 0.000 0.757 19 A CB -0.211 18.681 19.000 -0.179 0.000 0.991 19 A HN 2.341 nan 8.150 nan 0.000 0.503 20 S N 1.810 117.334 115.700 -0.292 0.000 2.536 20 S HA 0.848 5.318 4.470 0.000 0.000 0.287 20 S C -0.959 173.414 174.600 -0.378 0.000 1.101 20 S CA -0.639 57.478 58.200 -0.138 0.000 0.950 20 S CB 1.004 64.182 63.200 -0.037 0.000 1.056 20 S HN 0.585 nan 8.310 nan 0.000 0.481 21 Y N 0.235 120.621 120.300 0.142 0.000 2.698 21 Y HA 0.514 5.064 4.550 0.000 0.000 0.332 21 Y C 0.976 176.988 175.900 0.187 0.000 1.119 21 Y CA -1.223 56.966 58.100 0.148 0.000 1.109 21 Y CB 0.908 39.454 38.460 0.144 0.000 1.308 21 Y HN 0.724 nan 8.280 nan 0.000 0.499 22 D N -1.066 119.567 120.400 0.388 0.000 2.346 22 D HA -0.043 4.597 4.640 0.000 0.000 0.206 22 D C -1.076 175.531 176.300 0.511 0.000 1.001 22 D CA 0.901 55.124 54.000 0.370 0.000 0.871 22 D CB 0.311 41.296 40.800 0.308 0.000 0.943 22 D HN 0.339 nan 8.370 nan 0.000 0.518 23 Y N 0.448 120.924 120.300 0.295 0.000 2.313 23 Y HA 0.321 4.871 4.550 -0.000 0.000 0.320 23 Y C -2.008 173.979 175.900 0.145 0.000 1.171 23 Y CA -1.295 56.963 58.100 0.263 0.000 1.093 23 Y CB 0.625 39.216 38.460 0.219 0.000 1.224 23 Y HN -0.130 nan 8.280 nan 0.000 0.421 24 L N 6.976 128.131 121.223 -0.113 0.000 2.282 24 L HA 0.844 5.184 4.340 0.000 0.000 0.288 24 L C -1.451 175.157 176.870 -0.436 0.000 1.033 24 L CA -0.809 53.880 54.840 -0.252 0.000 0.807 24 L CB 1.007 43.035 42.059 -0.051 0.000 1.209 24 L HN 0.493 nan 8.230 nan 0.000 0.423 25 V N 6.530 126.188 119.914 -0.426 0.000 2.444 25 V HA 0.379 4.499 4.120 0.000 0.000 0.294 25 V C 0.067 176.016 176.094 -0.242 0.000 1.022 25 V CA -0.416 61.675 62.300 -0.349 0.000 0.850 25 V CB 1.724 33.346 31.823 -0.335 0.000 0.992 25 V HN 0.577 nan 8.190 nan 0.000 0.426 26 I N 4.786 125.245 120.570 -0.184 0.000 2.291 26 I HA 0.696 4.866 4.170 0.000 0.000 0.290 26 I C 0.759 176.796 176.117 -0.134 0.000 1.050 26 I CA 0.085 61.271 61.300 -0.191 0.000 1.245 26 I CB 0.959 38.832 38.000 -0.212 0.000 1.405 26 I HN 0.867 nan 8.210 nan 0.000 0.478 27 G N 3.587 112.306 108.800 -0.135 0.000 3.326 27 G HA2 0.048 4.008 3.960 0.000 0.000 0.681 27 G HA3 0.048 4.008 3.960 0.000 0.000 0.681 27 G C -0.085 174.776 174.900 -0.065 0.000 1.255 27 G CA -0.574 44.475 45.100 -0.085 0.000 0.976 27 G HN 0.896 nan 8.290 nan 0.000 0.563 28 G N 0.581 109.351 108.800 -0.049 0.000 3.949 28 G HA2 0.660 4.620 3.960 0.000 0.000 0.295 28 G HA3 0.660 4.620 3.960 0.000 0.000 0.295 28 G C 0.818 175.704 174.900 -0.024 0.000 1.286 28 G CA 0.911 45.992 45.100 -0.032 0.000 1.171 28 G HN 1.223 nan 8.290 nan 0.000 0.586 29 G N -0.187 108.599 108.800 -0.023 0.000 2.702 29 G HA2 0.390 4.350 3.960 0.000 0.000 0.254 29 G HA3 0.390 4.350 3.960 0.000 0.000 0.254 29 G C 1.165 176.041 174.900 -0.041 0.000 1.380 29 G CA 0.255 45.337 45.100 -0.031 0.000 1.042 29 G HN 0.138 nan 8.290 nan 0.000 0.557 30 S N -0.354 115.320 115.700 -0.043 0.000 2.359 30 S HA -0.124 4.346 4.470 0.000 0.000 0.224 30 S C 2.435 177.030 174.600 -0.009 0.000 1.035 30 S CA 1.749 59.922 58.200 -0.045 0.000 1.018 30 S CB -0.600 62.580 63.200 -0.034 0.000 0.876 30 S HN 0.769 nan 8.310 nan 0.000 0.448 31 G N 0.868 109.676 108.800 0.015 0.000 2.394 31 G HA2 0.074 4.034 3.960 0.000 0.000 0.215 31 G HA3 0.074 4.034 3.960 0.000 0.000 0.215 31 G C 1.405 176.333 174.900 0.047 0.000 1.165 31 G CA 0.799 45.923 45.100 0.040 0.000 0.784 31 G HN 0.553 nan 8.290 nan 0.000 0.535 32 G N 1.085 109.901 108.800 0.027 0.000 2.453 32 G HA2 -0.139 3.821 3.960 0.000 0.000 0.215 32 G HA3 -0.139 3.821 3.960 0.000 0.000 0.215 32 G C 1.805 176.722 174.900 0.028 0.000 1.201 32 G CA 0.750 45.858 45.100 0.015 0.000 0.784 32 G HN 0.386 nan 8.290 nan 0.000 0.545 33 L N 0.798 122.039 121.223 0.031 0.000 2.046 33 L HA -0.060 4.280 4.340 0.000 0.000 0.208 33 L C 3.439 180.368 176.870 0.098 0.000 1.077 33 L CA 0.994 55.881 54.840 0.079 0.000 0.747 33 L CB -0.473 41.652 42.059 0.109 0.000 0.896 33 L HN 0.313 nan 8.230 nan 0.000 0.432 34 A N -0.826 122.035 122.820 0.068 0.000 1.883 34 A HA -0.257 4.063 4.320 0.000 0.000 0.217 34 A C 2.562 180.183 177.584 0.061 0.000 1.186 34 A CA 2.295 54.370 52.037 0.063 0.000 0.624 34 A CB -0.759 18.263 19.000 0.038 0.000 0.822 34 A HN 0.360 nan 8.150 nan 0.000 0.444 35 S N -0.839 114.911 115.700 0.085 0.000 2.355 35 S HA 0.036 4.506 4.470 0.000 0.000 0.222 35 S C 2.212 176.896 174.600 0.140 0.000 1.031 35 S CA 1.434 59.705 58.200 0.118 0.000 0.993 35 S CB -0.474 62.853 63.200 0.212 0.000 0.859 35 S HN 0.793 nan 8.310 nan 0.000 0.453 36 A N 1.773 124.694 122.820 0.168 0.000 1.877 36 A HA -0.061 4.259 4.320 0.000 0.000 0.216 36 A C 2.206 179.810 177.584 0.032 0.000 1.186 36 A CA 1.545 53.669 52.037 0.144 0.000 0.620 36 A CB -0.743 18.288 19.000 0.052 0.000 0.822 36 A HN 0.573 nan 8.150 nan 0.000 0.443 37 R N -0.684 119.831 120.500 0.026 0.000 2.083 37 R HA -0.147 4.193 4.340 0.000 0.000 0.237 37 R C 2.486 178.753 176.300 -0.055 0.000 1.137 37 R CA 1.781 57.875 56.100 -0.011 0.000 0.951 37 R CB -0.263 30.055 30.300 0.030 0.000 0.851 37 R HN 0.541 nan 8.270 nan 0.000 0.434 38 R N -0.176 120.288 120.500 -0.059 0.000 2.115 38 R HA -0.047 4.293 4.340 0.000 0.000 0.226 38 R C 2.048 178.216 176.300 -0.220 0.000 1.100 38 R CA 1.084 57.119 56.100 -0.108 0.000 0.980 38 R CB -0.137 30.113 30.300 -0.082 0.000 0.875 38 R HN 0.272 nan 8.270 nan 0.000 0.445 39 A N 1.028 123.672 122.820 -0.293 0.000 1.883 39 A HA -0.168 4.152 4.320 0.000 0.000 0.217 39 A C 2.358 179.683 177.584 -0.432 0.000 1.186 39 A CA 1.840 53.506 52.037 -0.619 0.000 0.624 39 A CB -0.854 17.791 19.000 -0.593 0.000 0.822 39 A HN 0.498 nan 8.150 nan 0.000 0.444 40 A N -0.407 122.287 122.820 -0.211 0.000 1.940 40 A HA -0.217 4.103 4.320 0.000 0.000 0.219 40 A C 2.047 179.563 177.584 -0.112 0.000 1.176 40 A CA 1.947 53.914 52.037 -0.117 0.000 0.631 40 A CB -0.584 18.386 19.000 -0.050 0.000 0.814 40 A HN 0.730 nan 8.150 nan 0.000 0.446 41 E N 0.019 120.143 120.200 -0.126 0.000 2.077 41 E HA -0.145 4.205 4.350 0.000 0.000 0.193 41 E C 1.477 178.010 176.600 -0.112 0.000 0.989 41 E CA 1.022 57.361 56.400 -0.101 0.000 0.800 41 E CB -0.236 29.406 29.700 -0.096 0.000 0.746 41 E HN 0.623 nan 8.360 nan 0.000 0.452 42 L N -0.052 121.067 121.223 -0.173 0.000 2.675 42 L HA 0.107 4.447 4.340 0.000 0.000 0.238 42 L C 1.316 178.122 176.870 -0.106 0.000 1.155 42 L CA 0.504 55.250 54.840 -0.156 0.000 0.881 42 L CB -0.187 41.738 42.059 -0.223 0.000 1.008 42 L HN 0.479 nan 8.230 nan 0.000 0.443 43 G N -0.230 108.513 108.800 -0.096 0.000 2.132 43 G HA2 -0.227 3.733 3.960 0.000 0.000 0.234 43 G HA3 -0.227 3.733 3.960 0.000 0.000 0.234 43 G C 0.308 175.189 174.900 -0.033 0.000 0.989 43 G CA 0.010 45.086 45.100 -0.039 0.000 0.676 43 G HN 0.517 nan 8.290 nan 0.000 0.522 44 A N -0.298 122.440 122.820 -0.136 0.000 2.271 44 A HA 0.838 5.158 4.320 0.000 0.000 0.288 44 A C 0.745 178.316 177.584 -0.021 0.000 1.094 44 A CA -0.267 51.694 52.037 -0.127 0.000 0.828 44 A CB 0.474 19.071 19.000 -0.672 0.000 1.091 44 A HN 0.627 nan 8.150 nan 0.000 0.493 45 R N 0.629 121.184 120.500 0.092 0.000 2.396 45 R HA 0.538 4.878 4.340 0.000 0.000 0.292 45 R C -0.356 176.082 176.300 0.229 0.000 1.240 45 R CA -0.029 56.159 56.100 0.146 0.000 1.270 45 R CB 0.977 31.372 30.300 0.158 0.000 1.108 45 R HN 0.697 nan 8.270 nan 0.000 0.573 46 A N 1.453 124.376 122.820 0.171 0.000 2.288 46 A HA 0.954 5.274 4.320 0.000 0.000 0.328 46 A C -0.725 176.871 177.584 0.020 0.000 1.123 46 A CA -0.652 51.479 52.037 0.157 0.000 0.861 46 A CB 1.535 20.663 19.000 0.215 0.000 1.272 46 A HN 0.634 nan 8.150 nan 0.000 0.490 47 A N -0.623 122.083 122.820 -0.190 0.000 2.572 47 A HA 0.735 5.055 4.320 0.000 0.000 0.295 47 A C -0.799 176.586 177.584 -0.332 0.000 1.072 47 A CA 0.046 51.877 52.037 -0.342 0.000 0.691 47 A CB 1.332 19.808 19.000 -0.874 0.000 1.291 47 A HN 2.249 nan 8.150 nan 0.000 0.404 48 V N -0.739 119.016 119.914 -0.265 0.000 2.709 48 V HA 0.839 4.959 4.120 0.000 0.000 0.308 48 V C -0.768 175.182 176.094 -0.239 0.000 1.062 48 V CA -0.758 61.404 62.300 -0.230 0.000 0.901 48 V CB 1.215 32.957 31.823 -0.135 0.000 1.003 48 V HN 0.789 nan 8.190 nan 0.000 0.425 49 V N 3.387 123.147 119.914 -0.255 0.000 2.394 49 V HA 0.710 4.830 4.120 0.000 0.000 0.282 49 V C -0.232 175.748 176.094 -0.190 0.000 1.031 49 V CA -0.092 62.054 62.300 -0.256 0.000 0.881 49 V CB 1.299 32.932 31.823 -0.318 0.000 0.982 49 V HN 1.110 nan 8.190 nan 0.000 0.451 50 E N 2.817 122.923 120.200 -0.157 0.000 2.246 50 E HA 0.414 4.764 4.350 0.000 0.000 0.266 50 E C 0.539 177.056 176.600 -0.139 0.000 0.880 50 E CA -0.108 56.220 56.400 -0.120 0.000 0.762 50 E CB 2.115 31.774 29.700 -0.069 0.000 1.180 50 E HN 0.579 nan 8.360 nan 0.000 0.416 51 S N 3.680 119.265 115.700 -0.192 0.000 2.501 51 S HA 0.130 4.600 4.470 0.000 0.000 0.220 51 S C 0.742 175.075 174.600 -0.444 0.000 0.997 51 S CA 0.350 58.361 58.200 -0.315 0.000 0.919 51 S CB -0.141 62.817 63.200 -0.402 0.000 0.778 51 S HN 0.566 nan 8.310 nan 0.000 0.523 52 H N 1.126 120.189 119.070 -0.012 0.000 4.071 52 H HA 0.516 5.072 4.556 0.000 0.000 0.384 52 H C -0.543 174.779 175.328 -0.009 0.000 1.441 52 H CA -0.767 55.280 56.048 -0.001 0.000 1.200 52 H CB -0.150 29.615 29.762 0.006 0.000 0.860 52 H HN 0.126 nan 8.280 nan 0.000 0.765 53 K N 1.557 122.054 120.400 0.163 0.000 2.297 53 K HA 0.218 4.538 4.320 0.000 0.000 0.286 53 K C 0.091 176.712 176.600 0.035 0.000 1.053 53 K CA -0.293 56.033 56.287 0.066 0.000 0.940 53 K CB 1.172 33.695 32.500 0.038 0.000 1.019 53 K HN 0.219 nan 8.250 nan 0.000 0.475 54 L N 1.661 122.895 121.223 0.019 0.000 2.483 54 L HA 0.023 4.363 4.340 0.000 0.000 0.275 54 L C 1.101 177.961 176.870 -0.016 0.000 1.220 54 L CA 1.423 56.269 54.840 0.010 0.000 0.833 54 L CB 0.268 42.344 42.059 0.028 0.000 1.102 54 L HN 0.987 nan 8.230 nan 0.000 0.490 55 G N 1.560 110.334 108.800 -0.043 0.000 2.611 55 G HA2 0.035 3.995 3.960 0.000 0.000 0.208 55 G HA3 0.035 3.995 3.960 0.000 0.000 0.208 55 G C 0.750 175.589 174.900 -0.101 0.000 1.201 55 G CA -0.014 45.014 45.100 -0.120 0.000 0.739 55 G HN 1.986 nan 8.290 nan 0.000 0.528 56 G N -1.697 107.068 108.800 -0.058 0.000 2.472 56 G HA2 0.203 4.163 3.960 0.000 0.000 0.205 56 G HA3 0.203 4.163 3.960 0.000 0.000 0.205 56 G C 0.684 175.557 174.900 -0.045 0.000 1.270 56 G CA 0.898 45.975 45.100 -0.038 0.000 0.974 56 G HN 1.313 nan 8.290 nan 0.000 0.542 57 T N -0.209 114.329 114.554 -0.027 0.000 2.821 57 T HA -0.137 4.213 4.350 0.000 0.000 0.267 57 T C 2.473 177.138 174.700 -0.057 0.000 1.046 57 T CA 2.507 64.592 62.100 -0.025 0.000 1.139 57 T CB -0.642 68.236 68.868 0.016 0.000 0.871 57 T HN 1.141 nan 8.240 nan 0.000 0.454 58 C N 2.033 121.300 119.300 -0.055 0.000 2.376 58 C HA -0.110 4.350 4.460 0.000 0.000 0.275 58 C C 2.830 177.752 174.990 -0.113 0.000 1.200 58 C CA 1.517 60.494 59.018 -0.069 0.000 1.756 58 C CB -1.241 26.455 27.740 -0.073 0.000 2.050 58 C HN 0.519 nan 8.230 nan 0.000 0.460 59 V N -0.552 119.281 119.914 -0.136 0.000 2.992 59 V HA 0.135 4.255 4.120 0.000 0.000 0.250 59 V C 1.804 177.791 176.094 -0.179 0.000 1.090 59 V CA 2.116 64.321 62.300 -0.158 0.000 1.101 59 V CB -1.005 30.717 31.823 -0.168 0.000 0.743 59 V HN 0.565 nan 8.190 nan 0.000 0.468 60 N N 1.593 120.193 118.700 -0.167 0.000 2.368 60 N HA 0.120 4.860 4.740 0.000 0.000 0.178 60 N C 0.910 176.243 175.510 -0.295 0.000 1.021 60 N CA 1.458 54.405 53.050 -0.172 0.000 0.875 60 N CB 0.486 38.917 38.487 -0.093 0.000 1.020 60 N HN 0.581 nan 8.380 nan 0.000 0.433 61 V N -3.397 116.337 119.914 -0.299 0.000 2.947 61 V HA 0.772 4.892 4.120 0.000 0.000 0.381 61 V C 0.144 176.087 176.094 -0.252 0.000 1.376 61 V CA -0.311 61.753 62.300 -0.392 0.000 1.292 61 V CB 0.399 32.256 31.823 0.057 0.000 1.295 61 V HN 0.196 nan 8.190 nan 0.000 0.617 62 G N -0.693 107.910 108.800 -0.328 0.000 3.198 62 G HA2 0.281 4.241 3.960 0.000 0.000 0.166 62 G HA3 0.281 4.241 3.960 0.000 0.000 0.166 62 G C 0.753 175.629 174.900 -0.040 0.000 1.134 62 G CA 0.583 45.653 45.100 -0.049 0.000 0.941 62 G HN 0.209 nan 8.290 nan 0.000 0.639 63 C N -0.137 119.172 119.300 0.015 0.000 2.269 63 C HA -0.177 4.283 4.460 0.000 0.000 0.264 63 C C 2.919 177.894 174.990 -0.026 0.000 1.112 63 C CA 1.431 60.459 59.018 0.017 0.000 1.805 63 C CB -1.529 26.219 27.740 0.013 0.000 1.958 63 C HN 0.343 nan 8.230 nan 0.000 0.418 64 V N 2.922 122.809 119.914 -0.045 0.000 2.237 64 V HA -0.161 3.959 4.120 0.000 0.000 0.245 64 V C 0.196 176.301 176.094 0.020 0.000 1.046 64 V CA 2.814 65.110 62.300 -0.006 0.000 1.007 64 V CB -2.161 29.655 31.823 -0.011 0.000 0.638 64 V HN 0.485 nan 8.190 nan 0.000 0.445 65 P HA -0.196 nan 4.420 nan 0.000 0.220 65 P C 1.583 179.031 177.300 0.247 0.000 1.148 65 P CA 1.454 64.550 63.100 -0.007 0.000 0.803 65 P CB -0.086 31.402 31.700 -0.354 0.000 0.782 66 K N 1.270 121.823 120.400 0.256 0.000 2.026 66 K HA -0.174 4.146 4.320 0.000 0.000 0.208 66 K C 2.110 178.827 176.600 0.195 0.000 1.048 66 K CA 1.655 58.194 56.287 0.419 0.000 0.929 66 K CB -0.460 32.239 32.500 0.332 0.000 0.713 66 K HN -0.115 nan 8.250 nan 0.000 0.439 67 K N 0.721 121.129 120.400 0.013 0.000 2.097 67 K HA -0.044 4.276 4.320 0.000 0.000 0.206 67 K C 1.983 178.628 176.600 0.075 0.000 1.049 67 K CA 1.137 57.365 56.287 -0.099 0.000 0.933 67 K CB -0.267 32.092 32.500 -0.235 0.000 0.717 67 K HN -0.004 nan 8.250 nan 0.000 0.442 68 V N 0.707 120.668 119.914 0.079 0.000 2.343 68 V HA -0.248 3.872 4.120 0.000 0.000 0.247 68 V C 2.271 178.407 176.094 0.070 0.000 1.051 68 V CA 1.621 63.950 62.300 0.048 0.000 1.036 68 V CB -0.442 31.404 31.823 0.037 0.000 0.654 68 V HN 0.346 nan 8.190 nan 0.000 0.451 69 M N -1.683 118.001 119.600 0.140 0.000 2.229 69 M HA -0.144 4.336 4.480 0.000 0.000 0.264 69 M C 1.956 178.344 176.300 0.147 0.000 1.063 69 M CA 1.396 56.761 55.300 0.108 0.000 1.114 69 M CB -1.254 31.483 32.600 0.228 0.000 1.387 69 M HN 0.623 nan 8.290 nan 0.000 0.420 70 W N 2.557 123.872 121.300 0.024 0.000 2.379 70 W HA -0.156 4.504 4.660 -0.000 0.000 0.307 70 W C 1.951 178.498 176.519 0.045 0.000 1.200 70 W CA 1.507 58.879 57.345 0.044 0.000 1.297 70 W CB -0.474 28.956 29.460 -0.049 0.000 1.140 70 W HN 0.251 nan 8.180 nan 0.000 0.507 71 N N -0.332 118.423 118.700 0.092 0.000 2.149 71 N HA -0.168 4.572 4.740 0.000 0.000 0.188 71 N C 1.590 177.037 175.510 -0.104 0.000 1.019 71 N CA 2.403 55.410 53.050 -0.072 0.000 0.857 71 N CB -1.012 37.490 38.487 0.025 0.000 0.997 71 N HN 0.174 nan 8.380 nan 0.000 0.426 72 T N 0.821 115.322 114.554 -0.088 0.000 2.777 72 T HA -0.028 4.322 4.350 0.000 0.000 0.266 72 T C 1.986 176.545 174.700 -0.234 0.000 1.040 72 T CA 1.330 63.339 62.100 -0.151 0.000 1.141 72 T CB -0.308 68.435 68.868 -0.208 0.000 0.868 72 T HN 0.338 nan 8.240 nan 0.000 0.444 73 A N 1.001 123.678 122.820 -0.239 0.000 1.898 73 A HA -0.028 4.292 4.320 0.000 0.000 0.216 73 A C 2.584 179.972 177.584 -0.327 0.000 1.181 73 A CA 1.225 53.093 52.037 -0.282 0.000 0.620 73 A CB -1.034 17.872 19.000 -0.157 0.000 0.819 73 A HN 0.339 nan 8.150 nan 0.000 0.442 74 V N -0.321 119.369 119.914 -0.373 0.000 2.332 74 V HA -0.276 3.844 4.120 0.000 0.000 0.248 74 V C 2.516 178.479 176.094 -0.218 0.000 1.055 74 V CA 2.191 64.231 62.300 -0.433 0.000 1.038 74 V CB -0.994 30.431 31.823 -0.662 0.000 0.651 74 V HN 0.698 nan 8.190 nan 0.000 0.450 75 H N -0.106 118.844 119.070 -0.200 0.000 2.290 75 H HA -0.163 4.393 4.556 0.000 0.000 0.298 75 H C 2.701 177.936 175.328 -0.156 0.000 1.087 75 H CA 2.146 58.125 56.048 -0.116 0.000 1.291 75 H CB -0.288 29.386 29.762 -0.148 0.000 1.369 75 H HN 0.453 nan 8.280 nan 0.000 0.492 76 S N -0.002 115.652 115.700 -0.077 0.000 2.370 76 S HA -0.156 4.314 4.470 0.000 0.000 0.226 76 S C 2.031 176.463 174.600 -0.279 0.000 1.033 76 S CA 1.690 59.762 58.200 -0.214 0.000 1.011 76 S CB -0.074 62.965 63.200 -0.269 0.000 0.852 76 S HN 0.519 nan 8.310 nan 0.000 0.457 77 E N -0.578 119.501 120.200 -0.201 0.000 2.047 77 E HA -0.081 4.269 4.350 0.000 0.000 0.191 77 E C 1.764 178.336 176.600 -0.047 0.000 0.987 77 E CA 1.347 57.682 56.400 -0.109 0.000 0.799 77 E CB -0.232 29.290 29.700 -0.296 0.000 0.752 77 E HN 0.552 nan 8.360 nan 0.000 0.449 78 F N 0.357 120.270 119.950 -0.061 0.000 2.171 78 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 78 F C 2.194 178.015 175.800 0.034 0.000 1.090 78 F CA 0.883 58.877 58.000 -0.009 0.000 1.293 78 F CB -0.205 38.697 39.000 -0.164 0.000 1.013 78 F HN 0.058 nan 8.300 nan 0.000 0.486 79 M N -0.865 118.793 119.600 0.098 0.000 2.539 79 M HA -0.169 4.311 4.480 0.000 0.000 0.261 79 M C 1.786 178.111 176.300 0.041 0.000 1.069 79 M CA 1.248 56.546 55.300 -0.004 0.000 1.081 79 M CB -1.404 31.118 32.600 -0.130 0.000 1.412 79 M HN 0.201 nan 8.290 nan 0.000 0.482 80 H N 0.015 119.174 119.070 0.148 0.000 2.546 80 H HA 0.005 4.561 4.556 0.000 0.000 0.277 80 H C 0.645 176.093 175.328 0.200 0.000 1.004 80 H CA 0.846 56.976 56.048 0.137 0.000 1.231 80 H CB 0.121 29.933 29.762 0.084 0.000 1.382 80 H HN 0.387 nan 8.280 nan 0.000 0.580 81 D N -0.992 119.639 120.400 0.386 0.000 2.340 81 D HA -0.039 4.601 4.640 0.000 0.000 0.217 81 D C 1.642 178.209 176.300 0.446 0.000 1.081 81 D CA 0.048 54.293 54.000 0.408 0.000 0.842 81 D CB -0.022 41.101 40.800 0.538 0.000 0.934 81 D HN 0.356 nan 8.370 nan 0.000 0.511 82 H N 1.900 121.127 119.070 0.262 0.000 2.352 82 H HA -0.047 4.509 4.556 0.000 0.000 0.299 82 H C 1.983 177.508 175.328 0.329 0.000 1.097 82 H CA 1.952 58.150 56.048 0.249 0.000 1.311 82 H CB 0.134 29.967 29.762 0.118 0.000 1.377 82 H HN 0.123 nan 8.280 nan 0.000 0.504 83 A N 0.129 123.103 122.820 0.257 0.000 1.929 83 A HA -0.124 4.196 4.320 0.000 0.000 0.216 83 A C 2.008 179.653 177.584 0.101 0.000 1.176 83 A CA 1.583 53.709 52.037 0.147 0.000 0.628 83 A CB -0.220 18.858 19.000 0.130 0.000 0.816 83 A HN 0.442 nan 8.150 nan 0.000 0.444 84 D N -1.396 119.074 120.400 0.117 0.000 2.218 84 D HA -0.122 4.518 4.640 0.000 0.000 0.204 84 D C 0.711 176.957 176.300 -0.090 0.000 0.976 84 D CA 1.103 55.104 54.000 0.002 0.000 0.853 84 D CB -0.270 40.522 40.800 -0.013 0.000 0.939 84 D HN 0.602 nan 8.370 nan 0.000 0.481 85 Y N -0.147 120.194 120.300 0.068 0.000 2.470 85 Y HA 0.274 4.824 4.550 0.000 0.000 0.302 85 Y C 1.678 177.549 175.900 -0.049 0.000 1.194 85 Y CA 0.314 58.459 58.100 0.075 0.000 1.271 85 Y CB 0.424 39.013 38.460 0.214 0.000 1.092 85 Y HN 0.047 nan 8.280 nan 0.000 0.513 86 G N -0.944 107.830 108.800 -0.043 0.000 2.157 86 G HA2 -0.282 3.678 3.960 0.000 0.000 0.239 86 G HA3 -0.282 3.678 3.960 0.000 0.000 0.239 86 G C -0.088 174.558 174.900 -0.423 0.000 0.982 86 G CA -0.285 44.660 45.100 -0.258 0.000 0.650 86 G HN 0.222 nan 8.290 nan 0.000 0.527 87 F N 0.539 120.368 119.950 -0.201 0.000 2.483 87 F HA 0.627 5.154 4.527 0.000 0.000 0.329 87 F C -1.846 173.876 175.800 -0.129 0.000 1.064 87 F CA -2.633 55.208 58.000 -0.264 0.000 0.986 87 F CB 1.285 39.823 39.000 -0.769 0.000 1.218 87 F HN -0.203 nan 8.300 nan 0.000 0.484 88 P HA 0.020 nan 4.420 nan 0.000 0.268 88 P C -0.439 176.987 177.300 0.210 0.000 1.205 88 P CA -0.087 63.101 63.100 0.146 0.000 0.771 88 P CB 0.765 32.545 31.700 0.133 0.000 0.858 89 S N 2.219 118.018 115.700 0.164 0.000 2.558 89 S HA 0.006 4.476 4.470 0.000 0.000 0.291 89 S C -0.003 174.704 174.600 0.178 0.000 1.306 89 S CA -0.210 58.099 58.200 0.181 0.000 1.056 89 S CB -0.341 62.936 63.200 0.128 0.000 0.836 89 S HN 0.583 nan 8.310 nan 0.000 0.504 90 C N 6.025 125.429 119.300 0.173 0.000 2.322 90 C HA 0.523 4.983 4.460 0.000 0.000 0.324 90 C C 0.344 175.370 174.990 0.059 0.000 1.284 90 C CA -0.862 58.213 59.018 0.094 0.000 1.606 90 C CB -0.163 27.587 27.740 0.017 0.000 2.251 90 C HN 1.019 nan 8.230 nan 0.000 0.502 91 E N 3.195 123.424 120.200 0.047 0.000 2.428 91 E HA 0.363 4.713 4.350 0.000 0.000 0.257 91 E C 0.450 177.067 176.600 0.029 0.000 1.197 91 E CA 0.062 56.489 56.400 0.046 0.000 0.974 91 E CB 0.513 30.236 29.700 0.039 0.000 0.976 91 E HN 0.837 nan 8.360 nan 0.000 0.463 92 G N 1.148 109.977 108.800 0.047 0.000 4.543 92 G HA2 0.066 4.026 3.960 0.000 0.000 0.286 92 G HA3 0.066 4.026 3.960 0.000 0.000 0.286 92 G C -0.613 174.339 174.900 0.087 0.000 1.112 92 G CA -0.682 44.445 45.100 0.045 0.000 0.870 92 G HN 0.473 nan 8.290 nan 0.000 0.540 93 K N 0.381 120.827 120.400 0.077 0.000 2.167 93 K HA 0.373 4.693 4.320 0.000 0.000 0.275 93 K C -0.521 176.152 176.600 0.122 0.000 1.103 93 K CA -0.836 55.505 56.287 0.090 0.000 0.963 93 K CB 0.565 33.093 32.500 0.048 0.000 1.243 93 K HN 0.006 nan 8.250 nan 0.000 0.407 94 F N 3.163 123.119 119.950 0.010 0.000 2.518 94 F HA 0.089 4.616 4.527 0.000 0.000 0.359 94 F C 0.122 175.946 175.800 0.039 0.000 1.118 94 F CA -0.424 57.581 58.000 0.009 0.000 1.287 94 F CB 0.633 39.650 39.000 0.028 0.000 1.132 94 F HN 0.610 nan 8.300 nan 0.000 0.587 95 N N 7.086 125.290 118.700 -0.828 0.000 2.706 95 N HA -0.019 4.721 4.740 0.000 0.000 0.240 95 N C 0.817 175.720 175.510 -1.011 0.000 1.039 95 N CA -0.391 52.273 53.050 -0.643 0.000 0.888 95 N CB -0.006 38.278 38.487 -0.337 0.000 1.128 95 N HN 0.909 nan 8.380 nan 0.000 0.512 96 W N 4.225 124.929 121.300 -0.992 0.000 2.321 96 W HA -0.156 4.504 4.660 -0.000 0.000 0.306 96 W C 1.608 177.944 176.519 -0.305 0.000 1.217 96 W CA 1.270 58.268 57.345 -0.578 0.000 1.257 96 W CB 0.041 29.411 29.460 -0.150 0.000 1.145 96 W HN 0.601 nan 8.180 nan 0.000 0.509 97 R N 0.184 120.722 120.500 0.062 0.000 2.117 97 R HA -0.194 4.146 4.340 0.000 0.000 0.243 97 R C 2.159 178.428 176.300 -0.052 0.000 1.143 97 R CA 2.178 58.306 56.100 0.047 0.000 0.968 97 R CB -0.572 29.732 30.300 0.007 0.000 0.863 97 R HN 0.060 nan 8.270 nan 0.000 0.444 98 V N 1.162 120.990 119.914 -0.143 0.000 2.255 98 V HA -0.290 3.830 4.120 0.000 0.000 0.247 98 V C 2.366 178.388 176.094 -0.119 0.000 1.051 98 V CA 1.634 63.854 62.300 -0.133 0.000 1.018 98 V CB -0.396 31.324 31.823 -0.171 0.000 0.641 98 V HN 0.331 nan 8.190 nan 0.000 0.445 99 I N 0.152 120.618 120.570 -0.173 0.000 2.315 99 I HA -0.166 4.004 4.170 0.000 0.000 0.248 99 I C 2.458 178.505 176.117 -0.117 0.000 1.117 99 I CA 1.559 62.784 61.300 -0.125 0.000 1.404 99 I CB -1.137 36.810 38.000 -0.087 0.000 1.071 99 I HN 0.363 nan 8.210 nan 0.000 0.419 100 K N 1.889 122.206 120.400 -0.138 0.000 2.032 100 K HA -0.207 4.113 4.320 0.000 0.000 0.209 100 K C 1.885 178.492 176.600 0.012 0.000 1.048 100 K CA 1.752 58.020 56.287 -0.032 0.000 0.927 100 K CB -0.273 32.286 32.500 0.099 0.000 0.712 100 K HN 0.391 nan 8.250 nan 0.000 0.441 101 E N 0.215 120.417 120.200 0.002 0.000 2.077 101 E HA -0.160 4.190 4.350 0.000 0.000 0.193 101 E C 2.032 178.641 176.600 0.014 0.000 0.989 101 E CA 1.315 57.722 56.400 0.011 0.000 0.800 101 E CB -0.093 29.606 29.700 -0.001 0.000 0.746 101 E HN 0.331 nan 8.360 nan 0.000 0.452 102 K N 0.654 121.054 120.400 -0.001 0.000 2.097 102 K HA -0.091 4.229 4.320 0.000 0.000 0.205 102 K C 2.266 178.897 176.600 0.051 0.000 1.050 102 K CA 0.596 56.891 56.287 0.012 0.000 0.938 102 K CB -0.070 32.419 32.500 -0.019 0.000 0.718 102 K HN -0.019 nan 8.250 nan 0.000 0.442 103 R N 1.261 121.786 120.500 0.042 0.000 2.066 103 R HA -0.149 4.191 4.340 0.000 0.000 0.232 103 R C 1.431 177.799 176.300 0.113 0.000 1.131 103 R CA 1.799 57.954 56.100 0.091 0.000 0.955 103 R CB -0.033 30.305 30.300 0.063 0.000 0.851 103 R HN 0.126 nan 8.270 nan 0.000 0.432 104 D N 0.246 120.689 120.400 0.071 0.000 2.117 104 D HA -0.142 4.498 4.640 0.000 0.000 0.197 104 D C 1.691 178.019 176.300 0.046 0.000 0.987 104 D CA 1.489 55.520 54.000 0.051 0.000 0.829 104 D CB -0.229 40.597 40.800 0.044 0.000 0.961 104 D HN 0.369 nan 8.370 nan 0.000 0.460 105 A N 0.221 123.077 122.820 0.061 0.000 1.902 105 A HA -0.218 4.102 4.320 0.000 0.000 0.217 105 A C 2.192 179.828 177.584 0.086 0.000 1.181 105 A CA 1.214 53.286 52.037 0.058 0.000 0.623 105 A CB -1.004 18.030 19.000 0.056 0.000 0.818 105 A HN 0.309 nan 8.150 nan 0.000 0.443 106 Y N 0.808 121.102 120.300 -0.010 0.000 2.181 106 Y HA -0.175 4.375 4.550 0.000 0.000 0.288 106 Y C 2.307 178.198 175.900 -0.015 0.000 1.146 106 Y CA 1.789 59.882 58.100 -0.012 0.000 1.164 106 Y CB -0.522 37.930 38.460 -0.013 0.000 0.982 106 Y HN 0.056 nan 8.280 nan 0.000 0.515 107 V N -0.622 119.214 119.914 -0.129 0.000 2.407 107 V HA -0.287 3.833 4.120 0.000 0.000 0.248 107 V C 2.440 178.432 176.094 -0.171 0.000 1.055 107 V CA 2.051 64.218 62.300 -0.222 0.000 1.049 107 V CB -0.914 30.848 31.823 -0.101 0.000 0.662 107 V HN 0.400 nan 8.190 nan 0.000 0.455 108 S N -0.405 115.242 115.700 -0.088 0.000 2.368 108 S HA -0.166 4.304 4.470 0.000 0.000 0.225 108 S C 2.087 176.647 174.600 -0.068 0.000 1.030 108 S CA 1.328 59.495 58.200 -0.056 0.000 0.999 108 S CB -0.286 62.903 63.200 -0.019 0.000 0.844 108 S HN 0.550 nan 8.310 nan 0.000 0.459 109 R N 0.679 121.130 120.500 -0.082 0.000 2.115 109 R HA 0.051 4.391 4.340 0.000 0.000 0.230 109 R C 2.157 178.391 176.300 -0.110 0.000 1.111 109 R CA 0.850 56.908 56.100 -0.069 0.000 0.976 109 R CB -0.483 29.799 30.300 -0.029 0.000 0.870 109 R HN 0.378 nan 8.270 nan 0.000 0.445 110 L N 0.712 121.803 121.223 -0.220 0.000 2.027 110 L HA -0.165 4.175 4.340 0.000 0.000 0.206 110 L C 1.980 178.803 176.870 -0.079 0.000 1.074 110 L CA 1.095 55.809 54.840 -0.209 0.000 0.745 110 L CB -0.601 41.237 42.059 -0.368 0.000 0.898 110 L HN 0.207 nan 8.230 nan 0.000 0.433 111 N N 0.452 119.106 118.700 -0.076 0.000 2.149 111 N HA -0.174 4.566 4.740 0.000 0.000 0.188 111 N C 1.843 177.378 175.510 0.041 0.000 1.019 111 N CA 1.603 54.654 53.050 0.000 0.000 0.857 111 N CB -0.198 38.276 38.487 -0.021 0.000 0.997 111 N HN 0.337 nan 8.380 nan 0.000 0.426 112 A N 1.634 124.455 122.820 0.001 0.000 1.855 112 A HA -0.051 4.269 4.320 0.000 0.000 0.215 112 A C 2.362 179.947 177.584 0.001 0.000 1.191 112 A CA 0.848 52.884 52.037 -0.001 0.000 0.613 112 A CB -0.703 18.290 19.000 -0.012 0.000 0.829 112 A HN 0.171 nan 8.150 nan 0.000 0.442 113 I N -1.942 118.630 120.570 0.004 0.000 2.151 113 I HA -0.302 3.868 4.170 0.000 0.000 0.243 113 I C 2.522 178.650 176.117 0.018 0.000 1.080 113 I CA 2.048 63.351 61.300 0.006 0.000 1.339 113 I CB -0.437 37.570 38.000 0.010 0.000 1.039 113 I HN 0.545 nan 8.210 nan 0.000 0.409 114 Y N 1.554 121.818 120.300 -0.060 0.000 2.200 114 Y HA -0.310 4.240 4.550 0.000 0.000 0.290 114 Y C 2.676 178.545 175.900 -0.052 0.000 1.137 114 Y CA 1.858 59.925 58.100 -0.056 0.000 1.163 114 Y CB -0.356 38.067 38.460 -0.061 0.000 0.988 114 Y HN 0.121 nan 8.280 nan 0.000 0.518 115 Q N 0.919 120.696 119.800 -0.038 0.000 2.197 115 Q HA -0.244 4.096 4.340 0.000 0.000 0.207 115 Q C 2.089 177.990 176.000 -0.166 0.000 0.984 115 Q CA 2.038 57.783 55.803 -0.096 0.000 0.869 115 Q CB -0.693 28.034 28.738 -0.017 0.000 0.906 115 Q HN 0.567 nan 8.270 nan 0.000 0.426 116 N N -0.381 118.234 118.700 -0.141 0.000 2.244 116 N HA -0.143 4.597 4.740 0.000 0.000 0.183 116 N C 0.878 176.272 175.510 -0.193 0.000 1.016 116 N CA 1.290 54.259 53.050 -0.135 0.000 0.866 116 N CB -0.114 38.319 38.487 -0.091 0.000 0.980 116 N HN 0.344 nan 8.380 nan 0.000 0.430 117 N N 0.755 119.288 118.700 -0.279 0.000 2.376 117 N HA -0.080 4.660 4.740 0.000 0.000 0.177 117 N C 1.689 176.978 175.510 -0.369 0.000 1.024 117 N CA 0.167 53.029 53.050 -0.314 0.000 0.893 117 N CB -0.063 38.210 38.487 -0.356 0.000 0.980 117 N HN 0.228 nan 8.380 nan 0.000 0.439 118 L N 1.577 122.528 121.223 -0.454 0.000 1.993 118 L HA -0.096 4.244 4.340 0.000 0.000 0.206 118 L C 2.504 179.242 176.870 -0.220 0.000 1.074 118 L CA 1.824 56.457 54.840 -0.345 0.000 0.746 118 L CB -1.395 40.480 42.059 -0.307 0.000 0.896 118 L HN 0.231 nan 8.230 nan 0.000 0.435 119 T N -2.705 111.735 114.554 -0.189 0.000 2.822 119 T HA -0.292 4.058 4.350 0.000 0.000 0.270 119 T C 1.940 176.470 174.700 -0.284 0.000 1.064 119 T CA 1.735 63.735 62.100 -0.166 0.000 1.131 119 T CB -0.547 68.250 68.868 -0.118 0.000 0.858 119 T HN 0.395 nan 8.240 nan 0.000 0.483 120 K N 1.030 121.264 120.400 -0.278 0.000 2.057 120 K HA -0.008 4.312 4.320 0.000 0.000 0.206 120 K C 2.120 178.484 176.600 -0.393 0.000 1.050 120 K CA 1.413 57.508 56.287 -0.321 0.000 0.935 120 K CB -0.265 32.107 32.500 -0.213 0.000 0.715 120 K HN 0.339 nan 8.250 nan 0.000 0.439 121 S N 0.448 115.991 115.700 -0.262 0.000 2.607 121 S HA 0.008 4.478 4.470 0.000 0.000 0.224 121 S C -0.810 173.755 174.600 -0.057 0.000 0.969 121 S CA -0.036 58.072 58.200 -0.154 0.000 0.927 121 S CB -0.334 62.799 63.200 -0.112 0.000 0.772 121 S HN 0.364 nan 8.310 nan 0.000 0.533 122 H N 0.262 119.306 119.070 -0.042 0.000 3.074 122 H HA -0.128 4.428 4.556 0.000 0.000 0.321 122 H C -0.674 174.649 175.328 -0.009 0.000 0.981 122 H CA 0.697 56.734 56.048 -0.018 0.000 1.019 122 H CB -1.620 28.139 29.762 -0.005 0.000 1.593 122 H HN 0.366 nan 8.280 nan 0.000 0.355 123 I N 2.850 123.465 120.570 0.074 0.000 2.500 123 I HA 0.102 4.272 4.170 0.000 0.000 0.286 123 I C 0.444 176.579 176.117 0.031 0.000 1.063 123 I CA -0.480 60.844 61.300 0.040 0.000 1.062 123 I CB 1.865 39.860 38.000 -0.009 0.000 1.223 123 I HN 0.238 nan 8.210 nan 0.000 0.435 124 E N 6.903 127.132 120.200 0.047 0.000 2.299 124 E HA 0.293 4.643 4.350 0.000 0.000 0.272 124 E C -0.617 175.951 176.600 -0.053 0.000 1.043 124 E CA 0.014 56.440 56.400 0.044 0.000 0.895 124 E CB 1.260 31.057 29.700 0.162 0.000 1.011 124 E HN 0.439 nan 8.360 nan 0.000 0.432 125 I N 4.608 125.156 120.570 -0.036 0.000 2.312 125 I HA 0.165 4.335 4.170 0.000 0.000 0.290 125 I C -0.416 175.651 176.117 -0.084 0.000 1.008 125 I CA -0.792 60.465 61.300 -0.073 0.000 1.226 125 I CB 0.611 38.586 38.000 -0.041 0.000 1.371 125 I HN 0.328 nan 8.210 nan 0.000 0.468 126 I N 7.194 127.667 120.570 -0.163 0.000 2.307 126 I HA 0.277 4.447 4.170 0.000 0.000 0.289 126 I C 0.371 176.394 176.117 -0.157 0.000 1.021 126 I CA -0.385 60.803 61.300 -0.187 0.000 1.224 126 I CB 0.436 38.185 38.000 -0.418 0.000 1.376 126 I HN 0.355 nan 8.210 nan 0.000 0.470 127 R N 4.359 124.805 120.500 -0.089 0.000 2.490 127 R HA 0.781 5.121 4.340 0.000 0.000 0.280 127 R C 0.349 176.603 176.300 -0.076 0.000 1.077 127 R CA -0.329 55.727 56.100 -0.074 0.000 1.065 127 R CB 0.808 31.086 30.300 -0.036 0.000 1.003 127 R HN 0.900 nan 8.270 nan 0.000 0.470 128 G N 0.890 109.636 108.800 -0.088 0.000 2.459 128 G HA2 -0.163 3.797 3.960 0.000 0.000 0.685 128 G HA3 -0.163 3.797 3.960 0.000 0.000 0.685 128 G C -1.367 173.487 174.900 -0.076 0.000 1.303 128 G CA -0.885 44.178 45.100 -0.061 0.000 0.907 128 G HN 0.726 nan 8.290 nan 0.000 0.632 129 H N 0.899 119.895 119.070 -0.123 0.000 2.819 129 H HA 0.639 5.195 4.556 0.000 0.000 0.303 129 H C 0.519 175.782 175.328 -0.108 0.000 1.058 129 H CA 0.779 56.755 56.048 -0.122 0.000 1.471 129 H CB 0.992 30.697 29.762 -0.095 0.000 1.480 129 H HN 1.059 nan 8.280 nan 0.000 0.517 130 A N 3.798 126.419 122.820 -0.333 0.000 2.304 130 A HA 0.721 5.041 4.320 0.000 0.000 0.301 130 A C -0.709 176.762 177.584 -0.187 0.000 1.132 130 A CA 0.035 51.935 52.037 -0.228 0.000 0.819 130 A CB 0.674 19.477 19.000 -0.327 0.000 1.094 130 A HN 0.884 nan 8.150 nan 0.000 0.492 131 A N 0.935 123.689 122.820 -0.111 0.000 2.540 131 A HA 0.651 4.971 4.320 0.000 0.000 0.297 131 A C -0.931 176.603 177.584 -0.082 0.000 1.056 131 A CA -0.598 51.404 52.037 -0.058 0.000 0.700 131 A CB 0.433 19.506 19.000 0.122 0.000 1.280 131 A HN 0.634 nan 8.150 nan 0.000 0.398 132 F N 1.111 121.096 119.950 0.058 0.000 2.440 132 F HA 0.540 5.067 4.527 -0.000 0.000 0.323 132 F C 1.378 177.209 175.800 0.051 0.000 1.192 132 F CA 0.977 59.008 58.000 0.051 0.000 1.252 132 F CB 1.150 40.173 39.000 0.038 0.000 1.214 132 F HN 0.599 nan 8.300 nan 0.000 0.578 133 T N -0.583 114.150 114.554 0.298 0.000 2.742 133 T HA 0.265 4.615 4.350 0.000 0.000 0.282 133 T C 0.505 175.278 174.700 0.123 0.000 1.025 133 T CA -0.489 61.711 62.100 0.166 0.000 1.020 133 T CB 1.671 70.616 68.868 0.129 0.000 1.317 133 T HN 0.537 nan 8.240 nan 0.000 0.538 134 S N -0.075 115.672 115.700 0.077 0.000 2.404 134 S HA 0.014 4.484 4.470 0.000 0.000 0.191 134 S C -0.448 174.177 174.600 0.041 0.000 1.254 134 S CA 1.085 59.313 58.200 0.045 0.000 1.821 134 S CB -0.813 62.407 63.200 0.034 0.000 0.822 134 S HN 0.807 nan 8.310 nan 0.000 0.370 135 D N 0.873 121.295 120.400 0.036 0.000 10.092 135 D HA -0.092 4.548 4.640 0.000 0.000 0.312 135 D C -2.362 173.949 176.300 0.018 0.000 2.843 135 D CA 0.453 54.473 54.000 0.033 0.000 2.551 135 D CB -0.557 40.276 40.800 0.054 0.000 1.086 135 D HN 0.257 nan 8.370 nan 0.000 0.830 136 P HA -0.139 nan 4.420 nan 0.000 0.229 136 P C 0.075 177.374 177.300 -0.002 0.000 1.150 136 P CA 1.416 64.516 63.100 0.000 0.000 0.765 136 P CB 0.239 31.940 31.700 0.002 0.000 0.783 137 K N -2.343 118.064 120.400 0.011 0.000 2.426 137 K HA 0.528 4.848 4.320 0.000 0.000 0.251 137 K C -3.171 173.448 176.600 0.033 0.000 0.941 137 K CA -2.883 53.412 56.287 0.014 0.000 0.808 137 K CB 1.096 33.612 32.500 0.028 0.000 1.265 137 K HN -0.380 nan 8.250 nan 0.000 0.432 138 P HA -0.040 nan 4.420 nan 0.000 0.253 138 P C -1.181 176.220 177.300 0.168 0.000 1.170 138 P CA 0.624 63.764 63.100 0.067 0.000 0.806 138 P CB 0.204 31.939 31.700 0.057 0.000 0.775 139 T N 4.115 118.804 114.554 0.225 0.000 2.912 139 T HA 0.648 4.998 4.350 0.000 0.000 0.299 139 T C -0.523 174.368 174.700 0.319 0.000 1.052 139 T CA -0.464 61.779 62.100 0.238 0.000 0.996 139 T CB 1.426 70.388 68.868 0.157 0.000 1.070 139 T HN 0.183 nan 8.240 nan 0.000 0.465 140 I N 1.348 122.058 120.570 0.234 0.000 2.828 140 I HA 0.617 4.787 4.170 0.000 0.000 0.302 140 I C -1.157 175.060 176.117 0.166 0.000 1.101 140 I CA -0.832 60.543 61.300 0.125 0.000 1.031 140 I CB 2.272 40.218 38.000 -0.091 0.000 1.231 140 I HN 0.664 nan 8.210 nan 0.000 0.427 141 E N 5.499 125.769 120.200 0.118 0.000 2.210 141 E HA 0.574 4.924 4.350 0.000 0.000 0.266 141 E C -1.988 174.696 176.600 0.140 0.000 0.883 141 E CA -0.655 55.843 56.400 0.164 0.000 0.761 141 E CB 2.164 31.931 29.700 0.113 0.000 1.156 141 E HN 0.398 nan 8.360 nan 0.000 0.412 142 V N 3.681 123.733 119.914 0.231 0.000 2.380 142 V HA 0.191 4.311 4.120 0.000 0.000 0.286 142 V C -0.015 176.177 176.094 0.163 0.000 1.015 142 V CA -0.627 61.755 62.300 0.137 0.000 0.834 142 V CB 1.232 33.052 31.823 -0.006 0.000 1.009 142 V HN 0.923 nan 8.190 nan 0.000 0.428 143 S N 3.834 119.593 115.700 0.098 0.000 3.698 143 S HA -0.200 4.270 4.470 0.000 0.000 0.338 143 S C 1.466 176.113 174.600 0.077 0.000 1.089 143 S CA 1.556 59.802 58.200 0.076 0.000 0.991 143 S CB -1.298 61.944 63.200 0.071 0.000 0.909 143 S HN 2.140 nan 8.310 nan 0.000 0.485 144 G N -0.164 108.683 108.800 0.077 0.000 2.358 144 G HA2 -0.307 3.653 3.960 0.000 0.000 0.224 144 G HA3 -0.307 3.653 3.960 0.000 0.000 0.224 144 G C 0.014 174.944 174.900 0.050 0.000 1.073 144 G CA 0.450 45.583 45.100 0.055 0.000 0.635 144 G HN 0.605 nan 8.290 nan 0.000 0.509 145 K N 2.007 122.451 120.400 0.073 0.000 2.298 145 K HA 0.452 4.772 4.320 0.000 0.000 0.280 145 K C 0.098 176.674 176.600 -0.041 0.000 1.032 145 K CA -0.076 56.193 56.287 -0.029 0.000 0.958 145 K CB 0.550 33.015 32.500 -0.058 0.000 0.978 145 K HN 0.462 nan 8.250 nan 0.000 0.472 146 K N 3.366 123.657 120.400 -0.181 0.000 2.159 146 K HA 0.298 4.618 4.320 0.000 0.000 0.266 146 K C -0.888 175.557 176.600 -0.258 0.000 0.975 146 K CA -0.586 55.660 56.287 -0.068 0.000 0.865 146 K CB 0.944 33.438 32.500 -0.010 0.000 1.087 146 K HN 0.342 nan 8.250 nan 0.000 0.446 147 Y N -0.375 119.987 120.300 0.105 0.000 2.570 147 Y HA 0.538 5.088 4.550 0.000 0.000 0.345 147 Y C 0.424 176.426 175.900 0.170 0.000 1.014 147 Y CA -0.845 57.361 58.100 0.178 0.000 1.063 147 Y CB 2.526 41.112 38.460 0.210 0.000 1.272 147 Y HN 0.576 nan 8.280 nan 0.000 0.477 148 T N 0.124 114.904 114.554 0.377 0.000 2.739 148 T HA 0.897 5.247 4.350 0.000 0.000 0.303 148 T C -1.893 173.000 174.700 0.322 0.000 1.389 148 T CA -0.060 62.211 62.100 0.285 0.000 1.001 148 T CB 1.355 70.335 68.868 0.187 0.000 1.436 148 T HN 1.273 nan 8.240 nan 0.000 0.500 149 A N 1.792 124.774 122.820 0.270 0.000 2.549 149 A HA 0.713 5.033 4.320 0.000 0.000 0.291 149 A C -2.584 175.161 177.584 0.268 0.000 1.034 149 A CA -0.741 51.475 52.037 0.298 0.000 0.655 149 A CB 0.581 19.799 19.000 0.363 0.000 1.299 149 A HN 0.541 nan 8.150 nan 0.000 0.427 150 P HA 0.009 nan 4.420 nan 0.000 0.225 150 P C -0.107 177.261 177.300 0.114 0.000 1.156 150 P CA 1.403 64.635 63.100 0.220 0.000 0.787 150 P CB -0.038 31.847 31.700 0.308 0.000 0.802 151 H N -0.351 118.922 119.070 0.338 0.000 2.744 151 H HA 0.487 5.043 4.556 0.000 0.000 0.339 151 H C -0.656 174.957 175.328 0.475 0.000 1.004 151 H CA -0.509 55.843 56.048 0.508 0.000 1.257 151 H CB 0.883 30.967 29.762 0.537 0.000 1.552 151 H HN -0.157 nan 8.280 nan 0.000 0.522 152 I N 3.346 124.221 120.570 0.509 0.000 2.418 152 I HA 0.175 4.345 4.170 0.000 0.000 0.287 152 I C -0.906 175.427 176.117 0.360 0.000 1.008 152 I CA -0.562 60.927 61.300 0.314 0.000 1.104 152 I CB 1.473 39.656 38.000 0.305 0.000 1.264 152 I HN 0.366 nan 8.210 nan 0.000 0.438 153 L N 7.964 129.270 121.223 0.139 0.000 2.275 153 L HA 0.604 4.944 4.340 0.000 0.000 0.288 153 L C -0.669 176.264 176.870 0.105 0.000 1.046 153 L CA 0.065 55.016 54.840 0.185 0.000 0.805 153 L CB 0.601 42.705 42.059 0.075 0.000 1.193 153 L HN 0.421 nan 8.230 nan 0.000 0.426 154 I N 5.921 126.592 120.570 0.168 0.000 2.312 154 I HA 0.521 4.691 4.170 0.000 0.000 0.290 154 I C 0.201 176.374 176.117 0.095 0.000 1.008 154 I CA -0.265 61.104 61.300 0.116 0.000 1.226 154 I CB 1.412 39.516 38.000 0.173 0.000 1.371 154 I HN 0.820 nan 8.210 nan 0.000 0.468 155 A N 3.507 126.353 122.820 0.043 0.000 3.365 155 A HA 0.255 4.575 4.320 0.000 0.000 0.258 155 A C 0.777 178.373 177.584 0.019 0.000 0.964 155 A CA -0.371 51.694 52.037 0.046 0.000 0.988 155 A CB -0.295 18.731 19.000 0.043 0.000 1.193 155 A HN 0.731 nan 8.150 nan 0.000 0.508 156 T N -2.546 112.020 114.554 0.019 0.000 3.148 156 T HA 0.416 4.766 4.350 0.000 0.000 0.253 156 T C 1.410 176.130 174.700 0.033 0.000 1.134 156 T CA 1.038 63.140 62.100 0.004 0.000 1.051 156 T CB -0.366 68.494 68.868 -0.014 0.000 0.959 156 T HN 2.029 nan 8.240 nan 0.000 0.525 157 G N 0.652 109.483 108.800 0.052 0.000 2.574 157 G HA2 0.175 4.135 3.960 0.000 0.000 0.282 157 G HA3 0.175 4.135 3.960 0.000 0.000 0.282 157 G C 0.163 175.109 174.900 0.076 0.000 1.257 157 G CA -0.181 44.958 45.100 0.065 0.000 0.956 157 G HN 1.289 nan 8.290 nan 0.000 0.560 158 G N -2.039 106.806 108.800 0.075 0.000 2.975 158 G HA2 0.942 4.902 3.960 0.000 0.000 0.291 158 G HA3 0.942 4.902 3.960 0.000 0.000 0.291 158 G C -0.433 174.504 174.900 0.063 0.000 1.334 158 G CA 0.166 45.311 45.100 0.075 0.000 0.843 158 G HN 1.887 nan 8.290 nan 0.000 0.548 159 M N -1.945 117.689 119.600 0.056 0.000 2.644 159 M HA 0.605 5.085 4.480 0.000 0.000 0.273 159 M C -3.237 173.089 176.300 0.043 0.000 1.253 159 M CA -1.829 53.500 55.300 0.048 0.000 0.852 159 M CB 2.232 34.856 32.600 0.041 0.000 1.708 159 M HN 0.165 nan 8.290 nan 0.000 0.471 160 P HA 0.145 nan 4.420 nan 0.000 0.271 160 P C -0.880 176.426 177.300 0.010 0.000 1.216 160 P CA -0.032 63.092 63.100 0.040 0.000 0.776 160 P CB 1.028 32.766 31.700 0.063 0.000 0.881 161 S N 2.025 117.718 115.700 -0.012 0.000 2.537 161 S HA 0.535 5.005 4.470 0.000 0.000 0.275 161 S C -0.335 174.179 174.600 -0.142 0.000 1.272 161 S CA -0.252 57.902 58.200 -0.077 0.000 1.050 161 S CB -0.365 62.788 63.200 -0.079 0.000 0.961 161 S HN 0.514 nan 8.310 nan 0.000 0.496 162 T N 3.126 117.529 114.554 -0.252 0.000 2.861 162 T HA 0.654 5.004 4.350 0.000 0.000 0.287 162 T C -3.083 171.258 174.700 -0.600 0.000 1.003 162 T CA -1.885 59.950 62.100 -0.441 0.000 0.977 162 T CB 1.095 69.796 68.868 -0.277 0.000 0.996 162 T HN 0.390 nan 8.240 nan 0.000 0.448 163 P HA 0.209 nan 4.420 nan 0.000 0.269 163 P C -0.169 176.858 177.300 -0.456 0.000 1.209 163 P CA -0.281 62.419 63.100 -0.667 0.000 0.776 163 P CB 0.261 31.486 31.700 -0.791 0.000 0.876 164 H N 1.880 120.836 119.070 -0.190 0.000 2.562 164 H HA 0.068 4.624 4.556 0.000 0.000 0.352 164 H C 1.410 176.684 175.328 -0.090 0.000 1.125 164 H CA 0.005 55.984 56.048 -0.116 0.000 1.379 164 H CB 0.809 30.523 29.762 -0.081 0.000 1.464 164 H HN 0.504 nan 8.280 nan 0.000 0.563 165 E N 1.442 121.690 120.200 0.081 0.000 2.160 165 E HA -0.150 4.200 4.350 0.000 0.000 0.195 165 E C 1.892 178.514 176.600 0.037 0.000 0.991 165 E CA 1.395 57.820 56.400 0.043 0.000 0.810 165 E CB -0.066 29.657 29.700 0.038 0.000 0.742 165 E HN 0.643 nan 8.360 nan 0.000 0.466 166 S N 0.384 116.109 115.700 0.041 0.000 2.423 166 S HA -0.159 4.311 4.470 0.000 0.000 0.231 166 S C 1.885 176.500 174.600 0.025 0.000 1.014 166 S CA 0.896 59.108 58.200 0.021 0.000 0.965 166 S CB -0.133 63.065 63.200 -0.003 0.000 0.785 166 S HN 0.269 nan 8.310 nan 0.000 0.495 167 Q N 0.242 120.064 119.800 0.036 0.000 2.200 167 Q HA 0.396 4.736 4.340 0.000 0.000 0.197 167 Q C 0.157 176.160 176.000 0.006 0.000 0.953 167 Q CA 0.615 56.427 55.803 0.016 0.000 0.851 167 Q CB 0.295 29.035 28.738 0.003 0.000 0.938 167 Q HN 0.510 nan 8.270 nan 0.000 0.488 168 I N 2.810 123.378 120.570 -0.003 0.000 2.521 168 I HA 0.263 4.433 4.170 0.000 0.000 0.277 168 I C -2.474 173.672 176.117 0.048 0.000 1.054 168 I CA -2.414 58.901 61.300 0.024 0.000 1.117 168 I CB 1.902 39.911 38.000 0.014 0.000 1.217 168 I HN -0.090 nan 8.210 nan 0.000 0.469 169 P HA 0.030 nan 4.420 nan 0.000 0.264 169 P C 0.854 178.200 177.300 0.077 0.000 1.193 169 P CA 0.873 64.005 63.100 0.053 0.000 0.763 169 P CB 0.955 32.680 31.700 0.041 0.000 0.810 170 G N 2.913 111.760 108.800 0.078 0.000 2.157 170 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 170 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 170 G C 1.071 176.068 174.900 0.161 0.000 0.979 170 G CA 0.375 45.533 45.100 0.097 0.000 0.650 170 G HN 0.692 nan 8.290 nan 0.000 0.529 171 A N 0.820 123.748 122.820 0.180 0.000 1.978 171 A HA 0.169 4.489 4.320 0.000 0.000 0.220 171 A C 2.632 180.407 177.584 0.319 0.000 1.170 171 A CA 2.635 54.855 52.037 0.305 0.000 0.636 171 A CB -0.702 18.297 19.000 -0.002 0.000 0.810 171 A HN 1.793 nan 8.150 nan 0.000 0.448 172 S N -0.310 115.488 115.700 0.162 0.000 2.547 172 S HA 0.023 4.493 4.470 0.000 0.000 0.235 172 S C 1.564 176.250 174.600 0.144 0.000 0.980 172 S CA 1.039 59.321 58.200 0.136 0.000 0.941 172 S CB -0.600 62.648 63.200 0.079 0.000 0.763 172 S HN 0.487 nan 8.310 nan 0.000 0.532 173 L N 0.978 122.291 121.223 0.150 0.000 2.313 173 L HA 0.210 4.550 4.340 0.000 0.000 0.214 173 L C 1.686 178.604 176.870 0.079 0.000 1.119 173 L CA 0.344 55.239 54.840 0.092 0.000 0.809 173 L CB -0.836 41.262 42.059 0.065 0.000 0.933 173 L HN 0.469 nan 8.230 nan 0.000 0.449 174 G N 0.138 109.031 108.800 0.155 0.000 2.477 174 G HA2 0.557 4.517 3.960 0.000 0.000 0.304 174 G HA3 0.557 4.517 3.960 0.000 0.000 0.304 174 G C -0.348 174.632 174.900 0.133 0.000 1.175 174 G CA -0.525 44.592 45.100 0.029 0.000 0.907 174 G HN 0.121 nan 8.290 nan 0.000 0.509 175 I N -2.073 118.527 120.570 0.050 0.000 3.449 175 I HA 0.894 5.064 4.170 0.000 0.000 0.294 175 I C 0.416 176.621 176.117 0.147 0.000 1.163 175 I CA -0.937 60.426 61.300 0.105 0.000 1.010 175 I CB 2.193 40.225 38.000 0.055 0.000 1.307 175 I HN 0.636 nan 8.210 nan 0.000 0.518 176 T N -2.200 112.439 114.554 0.141 0.000 2.724 176 T HA 0.301 4.651 4.350 0.000 0.000 0.274 176 T C 0.971 175.740 174.700 0.115 0.000 0.984 176 T CA 0.028 62.211 62.100 0.137 0.000 1.024 176 T CB 0.942 69.892 68.868 0.136 0.000 1.320 176 T HN 0.807 nan 8.240 nan 0.000 0.555 177 S N 0.057 115.812 115.700 0.093 0.000 2.419 177 S HA -0.150 4.320 4.470 0.000 0.000 0.235 177 S C 1.271 176.027 174.600 0.260 0.000 1.019 177 S CA 1.401 59.661 58.200 0.100 0.000 0.982 177 S CB -0.916 62.331 63.200 0.079 0.000 0.789 177 S HN 0.684 nan 8.310 nan 0.000 0.490 178 D N 2.252 122.791 120.400 0.232 0.000 2.097 178 D HA 0.001 4.641 4.640 0.000 0.000 0.195 178 D C 2.192 178.636 176.300 0.241 0.000 0.989 178 D CA 1.496 55.651 54.000 0.257 0.000 0.827 178 D CB -1.044 39.841 40.800 0.142 0.000 0.966 178 D HN 0.572 nan 8.370 nan 0.000 0.456 179 G N -0.120 108.780 108.800 0.167 0.000 2.443 179 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 179 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 179 G C 1.438 176.403 174.900 0.108 0.000 1.131 179 G CA 0.084 45.256 45.100 0.120 0.000 0.775 179 G HN 0.230 nan 8.290 nan 0.000 0.547 180 F N 1.077 120.996 119.950 -0.051 0.000 2.126 180 F HA 0.006 4.533 4.527 0.000 0.000 0.299 180 F C 1.795 177.511 175.800 -0.140 0.000 1.096 180 F CA 1.011 58.911 58.000 -0.166 0.000 1.255 180 F CB -0.136 38.648 39.000 -0.359 0.000 0.997 180 F HN 0.110 nan 8.300 nan 0.000 0.479 181 F N 0.413 120.459 119.950 0.159 0.000 2.802 181 F HA 0.038 4.565 4.527 0.000 0.000 0.300 181 F C 2.003 177.828 175.800 0.041 0.000 1.168 181 F CA 0.635 58.678 58.000 0.071 0.000 1.433 181 F CB -0.626 38.468 39.000 0.155 0.000 1.115 181 F HN 0.132 nan 8.300 nan 0.000 0.582 182 Q N -0.364 119.522 119.800 0.144 0.000 2.352 182 Q HA 0.182 4.522 4.340 0.000 0.000 0.212 182 Q C 0.466 176.488 176.000 0.037 0.000 0.888 182 Q CA -0.099 55.762 55.803 0.097 0.000 0.934 182 Q CB 0.494 29.277 28.738 0.075 0.000 1.093 182 Q HN 0.308 nan 8.270 nan 0.000 0.523 183 L N 1.948 123.150 121.223 -0.035 0.000 2.540 183 L HA -0.083 4.257 4.340 0.000 0.000 0.276 183 L C 0.942 177.791 176.870 -0.035 0.000 1.212 183 L CA 0.771 55.513 54.840 -0.163 0.000 0.893 183 L CB 0.348 42.149 42.059 -0.430 0.000 1.138 183 L HN 0.227 nan 8.230 nan 0.000 0.491 184 E N 1.538 121.652 120.200 -0.143 0.000 2.526 184 E HA 0.132 4.482 4.350 0.000 0.000 0.208 184 E C -0.351 176.175 176.600 -0.123 0.000 0.997 184 E CA -0.010 56.389 56.400 -0.002 0.000 0.961 184 E CB 0.875 30.577 29.700 0.003 0.000 1.030 184 E HN 0.529 nan 8.360 nan 0.000 0.483 185 E N 0.662 120.556 120.200 -0.510 0.000 2.408 185 E HA 0.236 4.586 4.350 0.000 0.000 0.275 185 E C -1.178 174.887 176.600 -0.893 0.000 0.935 185 E CA -1.011 55.104 56.400 -0.476 0.000 0.775 185 E CB 2.266 31.816 29.700 -0.249 0.000 1.277 185 E HN -0.061 nan 8.360 nan 0.000 0.455 186 L N 2.964 123.898 121.223 -0.483 0.000 2.361 186 L HA 0.313 4.653 4.340 0.000 0.000 0.278 186 L C -2.379 174.319 176.870 -0.287 0.000 1.113 186 L CA -1.020 53.584 54.840 -0.394 0.000 0.849 186 L CB 0.181 42.334 42.059 0.158 0.000 1.155 186 L HN 0.175 nan 8.230 nan 0.000 0.452 187 P HA 0.213 nan 4.420 nan 0.000 0.271 187 P C 0.607 177.849 177.300 -0.097 0.000 1.216 187 P CA -0.063 62.921 63.100 -0.194 0.000 0.771 187 P CB 1.124 32.712 31.700 -0.186 0.000 0.864 188 G N 2.684 111.440 108.800 -0.074 0.000 2.402 188 G HA2 -0.145 3.815 3.960 0.000 0.000 0.216 188 G HA3 -0.145 3.815 3.960 0.000 0.000 0.216 188 G C 0.543 175.424 174.900 -0.032 0.000 1.162 188 G CA 0.599 45.675 45.100 -0.039 0.000 0.777 188 G HN 0.437 nan 8.290 nan 0.000 0.539 189 R N 0.022 120.494 120.500 -0.046 0.000 2.502 189 R HA 0.582 4.922 4.340 0.000 0.000 0.300 189 R C -1.428 174.838 176.300 -0.057 0.000 0.984 189 R CA -0.259 55.815 56.100 -0.044 0.000 0.882 189 R CB 1.555 31.829 30.300 -0.043 0.000 1.180 189 R HN 0.023 nan 8.270 nan 0.000 0.444 190 S N 2.394 118.064 115.700 -0.050 0.000 2.513 190 S HA 0.648 5.118 4.470 0.000 0.000 0.299 190 S C -1.311 173.245 174.600 -0.073 0.000 1.087 190 S CA -0.714 57.449 58.200 -0.061 0.000 1.012 190 S CB 2.022 65.201 63.200 -0.034 0.000 1.044 190 S HN 0.335 nan 8.310 nan 0.000 0.485 191 V N 3.822 123.671 119.914 -0.108 0.000 2.443 191 V HA 0.471 4.591 4.120 0.000 0.000 0.293 191 V C -1.105 174.888 176.094 -0.168 0.000 1.021 191 V CA -0.550 61.672 62.300 -0.129 0.000 0.848 191 V CB 1.212 32.944 31.823 -0.152 0.000 0.998 191 V HN 0.731 nan 8.190 nan 0.000 0.424 192 I N 5.305 125.795 120.570 -0.133 0.000 2.377 192 I HA 0.477 4.647 4.170 0.000 0.000 0.293 192 I C -0.083 175.960 176.117 -0.124 0.000 0.987 192 I CA -0.381 60.837 61.300 -0.138 0.000 1.185 192 I CB 1.958 39.898 38.000 -0.100 0.000 1.341 192 I HN 0.287 nan 8.210 nan 0.000 0.455 193 V N 5.440 125.279 119.914 -0.125 0.000 2.347 193 V HA 0.957 5.077 4.120 0.000 0.000 0.280 193 V C 0.385 176.508 176.094 0.048 0.000 1.021 193 V CA -0.311 61.969 62.300 -0.032 0.000 0.847 193 V CB 0.590 32.415 31.823 0.002 0.000 0.990 193 V HN 1.034 nan 8.190 nan 0.000 0.444 194 G N 3.509 112.325 108.800 0.027 0.000 2.337 194 G HA2 0.523 4.483 3.960 0.000 0.000 0.310 194 G HA3 0.523 4.483 3.960 0.000 0.000 0.310 194 G C -0.332 174.568 174.900 0.000 0.000 1.534 194 G CA 0.082 45.200 45.100 0.030 0.000 0.982 194 G HN 1.102 nan 8.290 nan 0.000 0.672 195 A N -0.491 122.334 122.820 0.009 0.000 2.551 195 A HA 0.764 5.084 4.320 0.000 0.000 0.252 195 A C 1.246 178.832 177.584 0.003 0.000 1.199 195 A CA 1.341 53.376 52.037 -0.004 0.000 0.972 195 A CB 0.059 19.063 19.000 0.007 0.000 1.153 195 A HN 2.058 nan 8.150 nan 0.000 0.559 196 G N -1.293 107.518 108.800 0.018 0.000 2.563 196 G HA2 0.321 4.281 3.960 0.000 0.000 0.283 196 G HA3 0.321 4.281 3.960 0.000 0.000 0.283 196 G C 0.690 175.611 174.900 0.034 0.000 1.309 196 G CA 0.171 45.310 45.100 0.065 0.000 1.022 196 G HN 0.616 nan 8.290 nan 0.000 0.501 197 Y N -1.084 119.217 120.300 0.002 0.000 2.274 197 Y HA -0.008 4.542 4.550 -0.000 0.000 0.290 197 Y C 2.276 178.163 175.900 -0.022 0.000 1.145 197 Y CA 1.212 59.288 58.100 -0.040 0.000 1.203 197 Y CB -0.410 38.056 38.460 0.010 0.000 0.984 197 Y HN 0.230 nan 8.280 nan 0.000 0.533 198 I N 1.038 121.131 120.570 -0.795 0.000 2.252 198 I HA -0.257 3.913 4.170 0.000 0.000 0.245 198 I C 2.822 178.768 176.117 -0.286 0.000 1.102 198 I CA 1.242 62.180 61.300 -0.603 0.000 1.385 198 I CB -0.703 36.969 38.000 -0.547 0.000 1.064 198 I HN 0.430 nan 8.210 nan 0.000 0.414 199 A N 0.474 123.176 122.820 -0.198 0.000 1.877 199 A HA -0.152 4.168 4.320 0.000 0.000 0.216 199 A C 2.436 179.957 177.584 -0.105 0.000 1.186 199 A CA 1.711 53.672 52.037 -0.127 0.000 0.620 199 A CB -0.970 17.986 19.000 -0.074 0.000 0.822 199 A HN 0.231 nan 8.150 nan 0.000 0.443 200 V N 0.188 120.053 119.914 -0.082 0.000 2.343 200 V HA -0.280 3.840 4.120 0.000 0.000 0.247 200 V C 2.442 178.527 176.094 -0.015 0.000 1.051 200 V CA 2.350 64.622 62.300 -0.046 0.000 1.036 200 V CB -0.844 30.948 31.823 -0.052 0.000 0.654 200 V HN 0.643 nan 8.190 nan 0.000 0.451 201 E N -0.449 119.735 120.200 -0.027 0.000 2.077 201 E HA -0.198 4.152 4.350 0.000 0.000 0.193 201 E C 2.301 178.888 176.600 -0.021 0.000 0.989 201 E CA 1.428 57.841 56.400 0.022 0.000 0.800 201 E CB -0.201 29.518 29.700 0.031 0.000 0.746 201 E HN 0.521 nan 8.360 nan 0.000 0.452 202 M N 0.441 119.934 119.600 -0.178 0.000 2.086 202 M HA -0.128 4.352 4.480 0.000 0.000 0.261 202 M C 2.614 178.844 176.300 -0.116 0.000 1.067 202 M CA 1.312 56.415 55.300 -0.329 0.000 1.116 202 M CB -0.483 31.826 32.600 -0.484 0.000 1.348 202 M HN 0.111 nan 8.290 nan 0.000 0.407 203 A N 0.809 123.591 122.820 -0.064 0.000 1.902 203 A HA -0.057 4.263 4.320 0.000 0.000 0.217 203 A C 2.392 180.004 177.584 0.046 0.000 1.181 203 A CA 2.013 54.044 52.037 -0.011 0.000 0.623 203 A CB -1.487 17.500 19.000 -0.022 0.000 0.818 203 A HN 0.554 nan 8.150 nan 0.000 0.443 204 G N -0.141 108.721 108.800 0.103 0.000 2.418 204 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 204 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 204 G C 1.535 176.529 174.900 0.158 0.000 1.158 204 G CA 1.092 46.313 45.100 0.202 0.000 0.771 204 G HN 0.476 nan 8.290 nan 0.000 0.545 205 I N 0.211 120.911 120.570 0.217 0.000 2.202 205 I HA -0.104 4.066 4.170 0.000 0.000 0.242 205 I C 2.735 178.948 176.117 0.159 0.000 1.091 205 I CA 0.643 62.064 61.300 0.201 0.000 1.368 205 I CB -0.211 37.956 38.000 0.279 0.000 1.058 205 I HN 0.119 nan 8.210 nan 0.000 0.410 206 L N -0.276 121.072 121.223 0.209 0.000 2.012 206 L HA -0.249 4.091 4.340 0.000 0.000 0.210 206 L C 2.749 179.686 176.870 0.111 0.000 1.073 206 L CA 1.553 56.529 54.840 0.226 0.000 0.748 206 L CB -0.583 41.591 42.059 0.192 0.000 0.891 206 L HN 0.234 nan 8.230 nan 0.000 0.431 207 S N -0.543 115.188 115.700 0.051 0.000 2.368 207 S HA -0.165 4.305 4.470 0.000 0.000 0.225 207 S C 2.120 176.705 174.600 -0.025 0.000 1.030 207 S CA 1.190 59.395 58.200 0.008 0.000 0.999 207 S CB -0.123 63.071 63.200 -0.010 0.000 0.844 207 S HN 0.436 nan 8.310 nan 0.000 0.459 208 A N 1.097 123.867 122.820 -0.083 0.000 1.933 208 A HA 0.087 4.407 4.320 0.000 0.000 0.218 208 A C 1.986 179.501 177.584 -0.116 0.000 1.175 208 A CA 1.202 53.147 52.037 -0.153 0.000 0.628 208 A CB -0.610 18.187 19.000 -0.339 0.000 0.814 208 A HN 0.586 nan 8.150 nan 0.000 0.444 209 L N -1.683 119.479 121.223 -0.102 0.000 2.599 209 L HA 0.208 4.548 4.340 0.000 0.000 0.230 209 L C 1.659 178.558 176.870 0.049 0.000 1.141 209 L CA 0.582 55.333 54.840 -0.149 0.000 0.877 209 L CB -0.030 41.912 42.059 -0.196 0.000 1.009 209 L HN 0.603 nan 8.230 nan 0.000 0.447 210 G N -1.109 107.729 108.800 0.063 0.000 2.255 210 G HA2 -0.234 3.726 3.960 0.000 0.000 0.196 210 G HA3 -0.234 3.726 3.960 0.000 0.000 0.196 210 G C 0.361 175.304 174.900 0.071 0.000 0.998 210 G CA 0.091 45.243 45.100 0.087 0.000 0.656 210 G HN 0.220 nan 8.290 nan 0.000 0.490 211 S N 0.295 116.039 115.700 0.074 0.000 2.564 211 S HA 0.505 4.975 4.470 0.000 0.000 0.278 211 S C 0.481 175.091 174.600 0.018 0.000 1.333 211 S CA -0.022 58.203 58.200 0.042 0.000 1.048 211 S CB 0.954 64.180 63.200 0.043 0.000 0.900 211 S HN 0.459 nan 8.310 nan 0.000 0.505 212 K N 3.539 123.940 120.400 0.002 0.000 2.315 212 K HA 0.230 4.550 4.320 0.000 0.000 0.291 212 K C -0.639 175.952 176.600 -0.015 0.000 1.074 212 K CA 0.266 56.548 56.287 -0.008 0.000 0.936 212 K CB -0.292 32.200 32.500 -0.013 0.000 1.049 212 K HN 0.555 nan 8.250 nan 0.000 0.471 213 T N 2.473 117.019 114.554 -0.014 0.000 2.823 213 T HA 0.480 4.830 4.350 0.000 0.000 0.279 213 T C -0.699 173.985 174.700 -0.027 0.000 0.998 213 T CA -0.755 61.333 62.100 -0.019 0.000 0.994 213 T CB 1.447 70.311 68.868 -0.007 0.000 0.960 213 T HN 0.406 nan 8.240 nan 0.000 0.448 214 S N 1.859 117.536 115.700 -0.038 0.000 2.526 214 S HA 0.694 5.164 4.470 0.000 0.000 0.293 214 S C -1.293 173.276 174.600 -0.050 0.000 1.092 214 S CA -0.726 57.449 58.200 -0.041 0.000 0.980 214 S CB 1.488 64.661 63.200 -0.046 0.000 1.048 214 S HN 0.581 nan 8.310 nan 0.000 0.483 215 L N 3.251 124.447 121.223 -0.045 0.000 2.343 215 L HA 0.607 4.947 4.340 0.000 0.000 0.278 215 L C -0.821 176.021 176.870 -0.047 0.000 0.996 215 L CA -0.304 54.507 54.840 -0.049 0.000 0.831 215 L CB 1.231 43.264 42.059 -0.042 0.000 1.232 215 L HN 0.788 nan 8.230 nan 0.000 0.413 216 M N 7.073 126.642 119.600 -0.051 0.000 2.113 216 M HA 0.531 5.011 4.480 0.000 0.000 0.352 216 M C -0.935 175.346 176.300 -0.032 0.000 1.170 216 M CA -0.503 54.773 55.300 -0.040 0.000 1.053 216 M CB 0.604 33.181 32.600 -0.038 0.000 1.601 216 M HN 0.696 nan 8.290 nan 0.000 0.459 217 I N 1.288 121.827 120.570 -0.051 0.000 2.740 217 I HA 0.502 4.672 4.170 0.000 0.000 0.303 217 I C 0.231 176.279 176.117 -0.114 0.000 1.044 217 I CA -1.020 60.242 61.300 -0.063 0.000 1.064 217 I CB 2.036 39.990 38.000 -0.076 0.000 1.249 217 I HN 0.706 nan 8.210 nan 0.000 0.433 218 R N 1.103 121.538 120.500 -0.108 0.000 2.189 218 R HA 0.114 4.454 4.340 0.000 0.000 0.218 218 R C 0.587 176.523 176.300 -0.608 0.000 1.074 218 R CA 0.959 56.913 56.100 -0.243 0.000 0.991 218 R CB -0.165 30.032 30.300 -0.171 0.000 0.883 218 R HN 0.681 nan 8.270 nan 0.000 0.457 219 H N -0.968 117.852 119.070 -0.416 0.000 3.917 219 H HA 0.078 4.634 4.556 -0.000 0.000 0.340 219 H C 0.522 175.132 175.328 -1.196 0.000 1.557 219 H CA -0.229 55.298 56.048 -0.869 0.000 1.383 219 H CB 0.285 29.831 29.762 -0.360 0.000 0.899 219 H HN 0.036 nan 8.280 nan 0.000 0.779 220 D N 0.353 120.379 120.400 -0.622 0.000 2.355 220 D HA 0.078 4.718 4.640 0.000 0.000 0.206 220 D C 0.092 176.310 176.300 -0.137 0.000 1.010 220 D CA 0.568 54.370 54.000 -0.329 0.000 0.875 220 D CB 1.072 41.875 40.800 0.005 0.000 0.966 220 D HN 0.181 nan 8.370 nan 0.000 0.512 221 K N 0.029 120.364 120.400 -0.107 0.000 2.509 221 K HA 0.481 4.801 4.320 0.000 0.000 0.266 221 K C -0.599 175.962 176.600 -0.064 0.000 0.987 221 K CA -1.085 55.160 56.287 -0.069 0.000 0.868 221 K CB 3.227 35.700 32.500 -0.045 0.000 1.421 221 K HN -0.073 nan 8.250 nan 0.000 0.444 222 V N -1.172 118.704 119.914 -0.064 0.000 3.134 222 V HA 0.423 4.543 4.120 0.000 0.000 0.313 222 V C 0.504 176.552 176.094 -0.078 0.000 1.069 222 V CA -0.917 61.344 62.300 -0.066 0.000 1.048 222 V CB 0.240 32.015 31.823 -0.079 0.000 1.119 222 V HN 0.816 nan 8.190 nan 0.000 0.461 223 L N -0.500 120.677 121.223 -0.077 0.000 3.762 223 L HA -0.206 4.134 4.340 0.000 0.000 0.460 223 L C 1.795 178.705 176.870 0.067 0.000 1.255 223 L CA 0.551 55.345 54.840 -0.075 0.000 0.783 223 L CB -1.312 40.471 42.059 -0.460 0.000 1.600 223 L HN 0.827 nan 8.230 nan 0.000 0.862 224 R N 0.242 120.772 120.500 0.051 0.000 2.285 224 R HA -0.105 4.235 4.340 0.000 0.000 0.213 224 R C 2.131 178.469 176.300 0.065 0.000 1.068 224 R CA 1.400 57.516 56.100 0.025 0.000 1.004 224 R CB -0.105 30.164 30.300 -0.052 0.000 0.873 224 R HN 0.767 nan 8.270 nan 0.000 0.467 225 S N -0.416 115.375 115.700 0.151 0.000 2.527 225 S HA 0.051 4.521 4.470 0.000 0.000 0.222 225 S C 0.550 175.182 174.600 0.054 0.000 0.985 225 S CA -0.095 58.154 58.200 0.082 0.000 0.921 225 S CB -0.040 63.195 63.200 0.059 0.000 0.772 225 S HN -0.032 nan 8.310 nan 0.000 0.529 226 F N 2.762 122.672 119.950 -0.067 0.000 2.362 226 F HA 0.384 4.911 4.527 -0.000 0.000 0.311 226 F C 1.019 176.730 175.800 -0.148 0.000 1.161 226 F CA -1.844 56.099 58.000 -0.095 0.000 1.085 226 F CB 0.109 39.065 39.000 -0.074 0.000 1.311 226 F HN 0.056 nan 8.300 nan 0.000 0.524 227 D N 0.286 120.643 120.400 -0.072 0.000 2.472 227 D HA -0.072 4.568 4.640 0.000 0.000 0.237 227 D C 1.183 177.439 176.300 -0.073 0.000 1.141 227 D CA 0.520 54.391 54.000 -0.216 0.000 0.875 227 D CB 1.095 41.553 40.800 -0.569 0.000 1.192 227 D HN 0.637 nan 8.370 nan 0.000 0.450 228 S N 3.916 119.577 115.700 -0.064 0.000 2.392 228 S HA -0.303 4.167 4.470 0.000 0.000 0.232 228 S C 2.098 176.685 174.600 -0.022 0.000 1.041 228 S CA 1.333 59.514 58.200 -0.031 0.000 1.026 228 S CB -0.355 62.829 63.200 -0.026 0.000 0.845 228 S HN 0.738 nan 8.310 nan 0.000 0.465 229 M N 0.637 120.222 119.600 -0.025 0.000 2.117 229 M HA -0.055 4.425 4.480 0.000 0.000 0.262 229 M C 1.714 178.011 176.300 -0.006 0.000 1.065 229 M CA 1.623 56.919 55.300 -0.007 0.000 1.114 229 M CB -0.250 32.357 32.600 0.011 0.000 1.361 229 M HN 0.280 nan 8.290 nan 0.000 0.408 230 I N -0.460 120.108 120.570 -0.004 0.000 2.286 230 I HA -0.205 3.965 4.170 0.000 0.000 0.245 230 I C 2.641 178.729 176.117 -0.049 0.000 1.104 230 I CA 1.308 62.602 61.300 -0.009 0.000 1.397 230 I CB -1.672 36.355 38.000 0.045 0.000 1.072 230 I HN 0.384 nan 8.210 nan 0.000 0.417 231 S N 0.404 116.084 115.700 -0.032 0.000 2.359 231 S HA -0.190 4.280 4.470 0.000 0.000 0.224 231 S C 2.108 176.680 174.600 -0.046 0.000 1.035 231 S CA 2.392 60.562 58.200 -0.049 0.000 1.018 231 S CB -0.225 62.964 63.200 -0.019 0.000 0.876 231 S HN 0.476 nan 8.310 nan 0.000 0.448 232 T N 1.572 116.108 114.554 -0.029 0.000 2.701 232 T HA -0.057 4.293 4.350 0.000 0.000 0.263 232 T C 1.785 176.470 174.700 -0.025 0.000 1.040 232 T CA 1.613 63.700 62.100 -0.021 0.000 1.147 232 T CB -0.720 68.141 68.868 -0.011 0.000 0.865 232 T HN 0.565 nan 8.240 nan 0.000 0.426 233 N N 0.122 118.806 118.700 -0.026 0.000 2.120 233 N HA -0.098 4.642 4.740 0.000 0.000 0.188 233 N C 2.051 177.539 175.510 -0.036 0.000 1.024 233 N CA 1.151 54.185 53.050 -0.028 0.000 0.852 233 N CB -0.634 37.838 38.487 -0.025 0.000 1.003 233 N HN 0.379 nan 8.380 nan 0.000 0.424 234 C N -0.409 118.858 119.300 -0.054 0.000 2.429 234 C HA -0.044 4.416 4.460 0.000 0.000 0.277 234 C C 2.509 177.469 174.990 -0.049 0.000 1.262 234 C CA 1.553 60.532 59.018 -0.064 0.000 1.733 234 C CB -1.514 26.156 27.740 -0.117 0.000 2.010 234 C HN 0.522 nan 8.230 nan 0.000 0.483 235 T N 0.601 115.125 114.554 -0.049 0.000 2.746 235 T HA -0.161 4.189 4.350 0.000 0.000 0.267 235 T C 1.553 176.237 174.700 -0.027 0.000 1.039 235 T CA 1.875 63.951 62.100 -0.039 0.000 1.142 235 T CB -0.340 68.505 68.868 -0.038 0.000 0.866 235 T HN 0.700 nan 8.240 nan 0.000 0.444 236 E N 0.774 120.959 120.200 -0.024 0.000 2.072 236 E HA -0.112 4.238 4.350 0.000 0.000 0.191 236 E C 2.436 179.024 176.600 -0.019 0.000 0.985 236 E CA 0.728 57.116 56.400 -0.019 0.000 0.801 236 E CB -0.045 29.645 29.700 -0.017 0.000 0.750 236 E HN 0.427 nan 8.360 nan 0.000 0.452 237 E N 0.777 120.966 120.200 -0.018 0.000 2.150 237 E HA -0.131 4.219 4.350 0.000 0.000 0.193 237 E C 2.259 178.857 176.600 -0.002 0.000 0.985 237 E CA 0.558 56.952 56.400 -0.010 0.000 0.814 237 E CB -0.072 29.627 29.700 -0.001 0.000 0.752 237 E HN 0.308 nan 8.360 nan 0.000 0.466 238 L N 0.866 122.087 121.223 -0.004 0.000 2.017 238 L HA -0.195 4.145 4.340 0.000 0.000 0.208 238 L C 2.355 179.218 176.870 -0.011 0.000 1.073 238 L CA 1.316 56.157 54.840 0.000 0.000 0.745 238 L CB -0.315 41.740 42.059 -0.008 0.000 0.894 238 L HN 0.089 nan 8.230 nan 0.000 0.432 239 E N -0.152 120.038 120.200 -0.016 0.000 2.110 239 E HA -0.192 4.158 4.350 0.000 0.000 0.193 239 E C 1.818 178.404 176.600 -0.023 0.000 0.988 239 E CA 1.033 57.421 56.400 -0.019 0.000 0.804 239 E CB -0.150 29.540 29.700 -0.016 0.000 0.745 239 E HN 0.479 nan 8.360 nan 0.000 0.458 240 N N 0.713 119.399 118.700 -0.025 0.000 2.309 240 N HA -0.079 4.661 4.740 0.000 0.000 0.182 240 N C 1.393 176.879 175.510 -0.041 0.000 1.018 240 N CA 0.993 54.023 53.050 -0.033 0.000 0.876 240 N CB -0.022 38.444 38.487 -0.035 0.000 0.972 240 N HN 0.099 nan 8.380 nan 0.000 0.434 241 A N -0.171 122.627 122.820 -0.035 0.000 2.238 241 A HA 0.418 4.738 4.320 0.000 0.000 0.208 241 A C 1.472 179.024 177.584 -0.053 0.000 1.177 241 A CA 0.775 52.783 52.037 -0.048 0.000 0.804 241 A CB -0.224 18.754 19.000 -0.037 0.000 0.823 241 A HN 0.305 nan 8.150 nan 0.000 0.482 242 G N -1.777 106.998 108.800 -0.042 0.000 2.159 242 G HA2 -0.180 3.780 3.960 0.000 0.000 0.227 242 G HA3 -0.180 3.780 3.960 0.000 0.000 0.227 242 G C 0.103 174.986 174.900 -0.029 0.000 0.986 242 G CA 0.025 45.102 45.100 -0.039 0.000 0.651 242 G HN 0.718 nan 8.290 nan 0.000 0.523 243 V N 1.410 121.309 119.914 -0.024 0.000 2.432 243 V HA 0.378 4.498 4.120 0.000 0.000 0.271 243 V C 0.811 176.893 176.094 -0.020 0.000 1.046 243 V CA -0.191 62.098 62.300 -0.019 0.000 0.945 243 V CB 1.649 33.464 31.823 -0.012 0.000 0.992 243 V HN 0.426 nan 8.190 nan 0.000 0.471 244 E N 4.657 124.844 120.200 -0.022 0.000 2.166 244 E HA 0.235 4.585 4.350 0.000 0.000 0.279 244 E C -0.946 175.640 176.600 -0.023 0.000 1.095 244 E CA -0.452 55.935 56.400 -0.020 0.000 0.888 244 E CB 1.032 30.720 29.700 -0.020 0.000 1.041 244 E HN 0.524 nan 8.360 nan 0.000 0.414 245 V N 7.212 127.114 119.914 -0.021 0.000 2.368 245 V HA 0.131 4.251 4.120 0.000 0.000 0.266 245 V C 0.285 176.366 176.094 -0.021 0.000 1.045 245 V CA -0.404 61.880 62.300 -0.026 0.000 0.899 245 V CB 0.639 32.446 31.823 -0.028 0.000 1.006 245 V HN 0.648 nan 8.190 nan 0.000 0.470 246 L N 6.515 127.723 121.223 -0.025 0.000 2.302 246 L HA 0.381 4.721 4.340 0.000 0.000 0.285 246 L C 0.539 177.394 176.870 -0.024 0.000 1.090 246 L CA -0.195 54.637 54.840 -0.014 0.000 0.866 246 L CB 0.111 42.161 42.059 -0.015 0.000 1.244 246 L HN 0.568 nan 8.230 nan 0.000 0.435 247 K N 2.901 123.295 120.400 -0.010 0.000 2.154 247 K HA 0.309 4.630 4.320 0.000 0.000 0.264 247 K C -0.034 176.586 176.600 0.034 0.000 1.008 247 K CA -0.695 55.551 56.287 -0.069 0.000 0.937 247 K CB 0.499 32.984 32.500 -0.024 0.000 1.002 247 K HN 0.239 nan 8.250 nan 0.000 0.469 248 F N -0.058 119.872 119.950 -0.033 0.000 3.004 248 F HA -0.276 4.251 4.527 0.000 0.000 0.264 248 F C -0.258 175.510 175.800 -0.053 0.000 0.979 248 F CA 0.453 58.412 58.000 -0.070 0.000 0.896 248 F CB -1.830 37.141 39.000 -0.049 0.000 0.813 248 F HN 0.263 nan 8.300 nan 0.000 0.804 249 S N -0.173 115.550 115.700 0.039 0.000 2.526 249 S HA 0.797 5.267 4.470 0.000 0.000 0.293 249 S C -0.356 174.257 174.600 0.021 0.000 1.092 249 S CA -0.954 57.268 58.200 0.036 0.000 0.980 249 S CB 2.909 66.124 63.200 0.025 0.000 1.048 249 S HN 0.290 nan 8.310 nan 0.000 0.483 250 Q N 0.951 120.773 119.800 0.037 0.000 2.379 250 Q HA 0.528 4.868 4.340 0.000 0.000 0.278 250 Q C -1.334 174.711 176.000 0.074 0.000 1.068 250 Q CA -0.915 54.922 55.803 0.057 0.000 0.816 250 Q CB 2.179 30.945 28.738 0.048 0.000 1.387 250 Q HN 0.442 nan 8.270 nan 0.000 0.413 251 V N 2.610 122.599 119.914 0.126 0.000 2.530 251 V HA 0.089 4.209 4.120 0.000 0.000 0.282 251 V C 0.672 176.845 176.094 0.132 0.000 1.048 251 V CA 0.058 62.445 62.300 0.145 0.000 0.997 251 V CB 1.009 32.994 31.823 0.270 0.000 0.987 251 V HN 0.708 nan 8.190 nan 0.000 0.477 252 K N 2.464 122.921 120.400 0.094 0.000 2.350 252 K HA 0.330 4.650 4.320 0.000 0.000 0.196 252 K C 0.462 177.109 176.600 0.078 0.000 1.084 252 K CA 0.395 56.725 56.287 0.072 0.000 0.967 252 K CB 0.940 33.469 32.500 0.048 0.000 0.950 252 K HN 0.825 nan 8.250 nan 0.000 0.512 253 E N -0.241 120.010 120.200 0.085 0.000 2.388 253 E HA 0.285 4.635 4.350 0.000 0.000 0.280 253 E C -1.784 174.864 176.600 0.080 0.000 1.019 253 E CA -0.502 55.946 56.400 0.081 0.000 0.806 253 E CB 2.083 31.815 29.700 0.052 0.000 1.246 253 E HN -0.253 nan 8.360 nan 0.000 0.443 254 V N 2.676 122.640 119.914 0.084 0.000 2.638 254 V HA 0.557 4.677 4.120 0.000 0.000 0.306 254 V C -0.724 175.397 176.094 0.046 0.000 1.052 254 V CA -0.818 61.520 62.300 0.062 0.000 0.885 254 V CB 1.860 33.738 31.823 0.092 0.000 0.999 254 V HN 0.549 nan 8.190 nan 0.000 0.424 255 K N 2.465 122.880 120.400 0.024 0.000 2.426 255 K HA 0.526 4.846 4.320 0.000 0.000 0.251 255 K C -0.956 175.649 176.600 0.008 0.000 0.941 255 K CA -1.002 55.296 56.287 0.019 0.000 0.808 255 K CB 3.197 35.706 32.500 0.015 0.000 1.265 255 K HN 0.576 nan 8.250 nan 0.000 0.432 256 K N 1.932 122.337 120.400 0.009 0.000 2.276 256 K HA 0.160 4.480 4.320 0.000 0.000 0.283 256 K C -0.317 176.282 176.600 -0.002 0.000 1.044 256 K CA 0.064 56.352 56.287 0.002 0.000 0.944 256 K CB 0.751 33.254 32.500 0.004 0.000 1.012 256 K HN 0.772 nan 8.250 nan 0.000 0.472 257 T N 0.092 114.641 114.554 -0.007 0.000 2.883 257 T HA 0.293 4.643 4.350 0.000 0.000 0.284 257 T C 1.337 176.031 174.700 -0.010 0.000 1.041 257 T CA -0.971 61.124 62.100 -0.008 0.000 1.007 257 T CB 0.615 69.476 68.868 -0.011 0.000 1.220 257 T HN 0.509 nan 8.240 nan 0.000 0.552 258 L N 0.760 121.978 121.223 -0.010 0.000 2.201 258 L HA 0.046 4.386 4.340 0.000 0.000 0.212 258 L C 1.965 178.826 176.870 -0.014 0.000 1.105 258 L CA 1.294 56.128 54.840 -0.011 0.000 0.775 258 L CB -0.335 41.719 42.059 -0.009 0.000 0.913 258 L HN 0.888 nan 8.230 nan 0.000 0.440 259 S N -1.248 114.442 115.700 -0.017 0.000 2.581 259 S HA 0.596 5.066 4.470 0.000 0.000 0.245 259 S C 0.484 175.068 174.600 -0.026 0.000 1.115 259 S CA -0.081 58.106 58.200 -0.021 0.000 1.093 259 S CB 0.743 63.931 63.200 -0.019 0.000 0.853 259 S HN 0.515 nan 8.310 nan 0.000 0.479 260 G N 1.431 110.215 108.800 -0.026 0.000 2.637 260 G HA2 -0.045 3.915 3.960 0.000 0.000 0.211 260 G HA3 -0.045 3.915 3.960 0.000 0.000 0.211 260 G C -1.183 173.700 174.900 -0.029 0.000 1.213 260 G CA -0.441 44.640 45.100 -0.032 0.000 1.207 260 G HN 0.568 nan 8.290 nan 0.000 0.559 261 L N 0.867 122.069 121.223 -0.035 0.000 2.354 261 L HA 0.741 5.081 4.340 0.000 0.000 0.264 261 L C -0.317 176.534 176.870 -0.032 0.000 1.008 261 L CA -0.750 54.071 54.840 -0.032 0.000 0.819 261 L CB 2.333 44.365 42.059 -0.045 0.000 1.339 261 L HN 0.761 nan 8.230 nan 0.000 0.420 262 E N 1.600 121.787 120.200 -0.022 0.000 2.165 262 E HA 0.487 4.837 4.350 0.000 0.000 0.266 262 E C -1.777 174.812 176.600 -0.018 0.000 0.889 262 E CA -0.611 55.778 56.400 -0.019 0.000 0.756 262 E CB 2.083 31.778 29.700 -0.009 0.000 1.131 262 E HN 0.332 nan 8.360 nan 0.000 0.411 263 V N 3.871 123.768 119.914 -0.027 0.000 2.347 263 V HA 0.226 4.346 4.120 0.000 0.000 0.280 263 V C -0.141 175.948 176.094 -0.009 0.000 1.021 263 V CA -0.647 61.637 62.300 -0.027 0.000 0.847 263 V CB 1.438 33.222 31.823 -0.065 0.000 0.990 263 V HN 0.652 nan 8.190 nan 0.000 0.444 264 S N 6.914 122.621 115.700 0.011 0.000 2.465 264 S HA 0.591 5.061 4.470 0.000 0.000 0.279 264 S C -0.273 174.342 174.600 0.025 0.000 1.201 264 S CA -0.314 57.897 58.200 0.017 0.000 1.053 264 S CB 0.551 63.766 63.200 0.025 0.000 0.953 264 S HN 0.788 nan 8.310 nan 0.000 0.488 265 M N 4.663 124.274 119.600 0.017 0.000 2.535 265 M HA 0.687 5.167 4.480 0.000 0.000 0.314 265 M C -1.566 174.748 176.300 0.023 0.000 1.153 265 M CA -0.757 54.556 55.300 0.022 0.000 0.924 265 M CB 1.747 34.353 32.600 0.010 0.000 1.710 265 M HN 0.434 nan 8.290 nan 0.000 0.451 266 V N 3.820 123.752 119.914 0.030 0.000 2.448 266 V HA 0.652 4.772 4.120 0.000 0.000 0.295 266 V C -0.934 175.182 176.094 0.035 0.000 1.025 266 V CA 0.047 62.363 62.300 0.028 0.000 0.859 266 V CB 2.037 33.876 31.823 0.027 0.000 0.988 266 V HN 1.015 nan 8.190 nan 0.000 0.431 267 T N 6.546 121.120 114.554 0.035 0.000 2.792 267 T HA 0.738 5.088 4.350 0.000 0.000 0.280 267 T C -0.196 174.529 174.700 0.041 0.000 0.990 267 T CA 0.035 62.167 62.100 0.054 0.000 0.960 267 T CB 1.453 70.352 68.868 0.051 0.000 0.939 267 T HN 1.106 nan 8.240 nan 0.000 0.439 268 A N 3.443 126.298 122.820 0.058 0.000 2.943 268 A HA 0.598 4.918 4.320 0.000 0.000 0.327 268 A C -0.185 177.327 177.584 -0.120 0.000 1.141 268 A CA -0.534 51.496 52.037 -0.012 0.000 0.773 268 A CB 0.265 19.261 19.000 -0.007 0.000 1.143 268 A HN 0.667 nan 8.150 nan 0.000 0.463 269 V N 2.884 122.696 119.914 -0.171 0.000 2.508 269 V HA 0.190 4.310 4.120 0.000 0.000 0.281 269 V C -2.037 173.793 176.094 -0.440 0.000 1.041 269 V CA -1.201 60.832 62.300 -0.445 0.000 1.016 269 V CB 0.922 32.635 31.823 -0.183 0.000 0.984 269 V HN 0.643 nan 8.190 nan 0.000 0.478 270 P HA 0.169 nan 4.420 nan 0.000 0.264 270 P C 0.989 178.163 177.300 -0.210 0.000 1.183 270 P CA 1.523 64.412 63.100 -0.352 0.000 0.763 270 P CB 0.484 31.972 31.700 -0.353 0.000 0.807 271 G N 2.061 110.781 108.800 -0.133 0.000 2.225 271 G HA2 -0.245 3.715 3.960 0.000 0.000 0.254 271 G HA3 -0.245 3.715 3.960 0.000 0.000 0.254 271 G C 0.305 175.161 174.900 -0.074 0.000 0.988 271 G CA -0.209 44.839 45.100 -0.087 0.000 0.625 271 G HN 0.574 nan 8.290 nan 0.000 0.527 272 R N -0.776 119.670 120.500 -0.090 0.000 2.923 272 R HA 0.790 5.130 4.340 0.000 0.000 0.252 272 R C -0.074 176.191 176.300 -0.057 0.000 1.130 272 R CA -0.994 55.067 56.100 -0.064 0.000 1.043 272 R CB 1.027 31.290 30.300 -0.061 0.000 1.205 272 R HN 0.137 nan 8.270 nan 0.000 0.495 273 L N 2.785 123.984 121.223 -0.039 0.000 2.334 273 L HA 0.383 4.723 4.340 0.000 0.000 0.277 273 L C -1.790 175.065 176.870 -0.026 0.000 1.075 273 L CA -1.996 52.826 54.840 -0.030 0.000 0.804 273 L CB 1.012 43.059 42.059 -0.020 0.000 1.174 273 L HN 0.339 nan 8.230 nan 0.000 0.438 274 P HA 0.085 nan 4.420 nan 0.000 0.268 274 P C -0.938 176.359 177.300 -0.004 0.000 1.205 274 P CA -0.044 63.049 63.100 -0.012 0.000 0.771 274 P CB 1.865 33.560 31.700 -0.009 0.000 0.858 275 V N 4.005 123.920 119.914 0.003 0.000 2.841 275 V HA 0.450 4.570 4.120 0.000 0.000 0.310 275 V C -0.688 175.412 176.094 0.009 0.000 1.090 275 V CA -1.023 61.280 62.300 0.005 0.000 0.930 275 V CB 2.241 34.066 31.823 0.004 0.000 1.014 275 V HN 0.396 nan 8.190 nan 0.000 0.425 276 M N 4.165 123.770 119.600 0.008 0.000 2.209 276 M HA 0.511 4.991 4.480 0.000 0.000 0.355 276 M C -0.406 175.899 176.300 0.008 0.000 1.171 276 M CA 0.021 55.327 55.300 0.010 0.000 1.069 276 M CB 1.291 33.897 32.600 0.009 0.000 1.622 276 M HN 0.754 nan 8.290 nan 0.000 0.459 277 T N 3.677 118.235 114.554 0.008 0.000 2.886 277 T HA 0.572 4.922 4.350 0.000 0.000 0.292 277 T C -0.691 174.010 174.700 0.002 0.000 1.012 277 T CA -0.591 61.511 62.100 0.004 0.000 0.982 277 T CB 1.581 70.451 68.868 0.003 0.000 1.018 277 T HN 0.441 nan 8.240 nan 0.000 0.451 278 M N 3.300 122.899 119.600 -0.001 0.000 2.047 278 M HA 0.479 4.959 4.480 0.000 0.000 0.342 278 M C -0.560 175.734 176.300 -0.010 0.000 1.058 278 M CA -0.567 54.730 55.300 -0.004 0.000 0.991 278 M CB 0.320 32.919 32.600 -0.002 0.000 1.474 278 M HN 0.485 nan 8.290 nan 0.000 0.419 279 I N 7.245 127.805 120.570 -0.016 0.000 2.322 279 I HA 0.264 4.434 4.170 0.000 0.000 0.292 279 I C -1.901 174.201 176.117 -0.026 0.000 1.060 279 I CA -1.453 59.833 61.300 -0.024 0.000 1.309 279 I CB 0.407 38.386 38.000 -0.035 0.000 1.415 279 I HN 0.397 nan 8.210 nan 0.000 0.492 280 P HA 0.203 nan 4.420 nan 0.000 0.284 280 P C -0.717 176.567 177.300 -0.028 0.000 1.287 280 P CA -0.215 62.872 63.100 -0.022 0.000 0.824 280 P CB 0.875 32.565 31.700 -0.017 0.000 1.180 281 D N -2.211 118.173 120.400 -0.027 0.000 2.751 281 D HA -0.109 4.531 4.640 0.000 0.000 0.233 281 D C -0.233 176.043 176.300 -0.039 0.000 1.149 281 D CA 0.627 54.609 54.000 -0.030 0.000 0.682 281 D CB -2.030 38.755 40.800 -0.026 0.000 1.068 281 D HN 0.077 nan 8.370 nan 0.000 0.429 282 V N 1.067 120.953 119.914 -0.047 0.000 2.488 282 V HA 0.045 4.165 4.120 0.000 0.000 0.277 282 V C 1.503 177.558 176.094 -0.065 0.000 1.046 282 V CA -0.063 62.201 62.300 -0.061 0.000 0.986 282 V CB 1.666 33.443 31.823 -0.076 0.000 0.989 282 V HN 0.031 nan 8.190 nan 0.000 0.475 283 D N 1.996 122.353 120.400 -0.071 0.000 2.240 283 D HA 0.054 4.694 4.640 0.000 0.000 0.206 283 D C 0.497 176.741 176.300 -0.092 0.000 0.963 283 D CA 0.829 54.782 54.000 -0.078 0.000 0.863 283 D CB 0.685 41.435 40.800 -0.084 0.000 0.973 283 D HN 0.559 nan 8.370 nan 0.000 0.501 284 C N 1.637 120.877 119.300 -0.100 0.000 2.505 284 C HA 0.563 5.023 4.460 0.000 0.000 0.342 284 C C -1.379 173.529 174.990 -0.136 0.000 1.121 284 C CA -0.929 58.024 59.018 -0.109 0.000 1.306 284 C CB -0.034 27.643 27.740 -0.104 0.000 1.897 284 C HN 0.125 nan 8.230 nan 0.000 0.446 285 L N 7.154 128.270 121.223 -0.178 0.000 2.298 285 L HA 0.705 5.045 4.340 0.000 0.000 0.284 285 L C -0.998 175.658 176.870 -0.356 0.000 1.013 285 L CA -0.180 54.477 54.840 -0.305 0.000 0.824 285 L CB 1.170 43.007 42.059 -0.370 0.000 1.221 285 L HN 0.793 nan 8.230 nan 0.000 0.418 286 L N 5.479 126.501 121.223 -0.335 0.000 2.305 286 L HA 0.501 4.841 4.340 0.000 0.000 0.284 286 L C -1.285 175.433 176.870 -0.252 0.000 1.013 286 L CA -0.459 54.243 54.840 -0.230 0.000 0.819 286 L CB 0.980 42.974 42.059 -0.107 0.000 1.227 286 L HN 0.696 nan 8.230 nan 0.000 0.417 287 W N 4.982 126.266 121.300 -0.027 0.000 2.358 287 W HA 0.518 5.178 4.660 0.000 0.000 0.307 287 W C 0.343 176.834 176.519 -0.046 0.000 1.203 287 W CA -0.609 56.715 57.345 -0.034 0.000 1.279 287 W CB 1.339 30.781 29.460 -0.031 0.000 1.264 287 W HN 0.585 nan 8.180 nan 0.000 0.474 288 A N 5.163 128.089 122.820 0.177 0.000 3.253 288 A HA 0.275 4.595 4.320 0.000 0.000 0.290 288 A C 0.356 177.981 177.584 0.068 0.000 0.950 288 A CA -0.451 51.623 52.037 0.062 0.000 0.986 288 A CB -0.709 18.271 19.000 -0.032 0.000 1.104 288 A HN 0.780 nan 8.150 nan 0.000 0.481 289 I N -3.213 117.421 120.570 0.107 0.000 3.861 289 I HA 0.594 4.764 4.170 0.000 0.000 0.329 289 I C 0.622 176.762 176.117 0.038 0.000 1.321 289 I CA 0.246 61.590 61.300 0.075 0.000 1.126 289 I CB 0.096 38.142 38.000 0.076 0.000 1.018 289 I HN 0.465 nan 8.210 nan 0.000 0.407 290 G N 1.271 110.090 108.800 0.033 0.000 2.353 290 G HA2 0.130 4.090 3.960 0.000 0.000 0.424 290 G HA3 0.130 4.090 3.960 0.000 0.000 0.424 290 G C -1.287 173.632 174.900 0.033 0.000 1.320 290 G CA -1.126 43.996 45.100 0.036 0.000 0.995 290 G HN 0.290 nan 8.290 nan 0.000 0.580 291 R N -1.256 119.276 120.500 0.053 0.000 2.795 291 R HA 0.770 5.110 4.340 0.000 0.000 0.275 291 R C -0.189 176.146 176.300 0.058 0.000 0.981 291 R CA -0.753 55.380 56.100 0.055 0.000 0.917 291 R CB 2.513 32.859 30.300 0.078 0.000 1.202 291 R HN 1.200 nan 8.270 nan 0.000 0.469 292 V N -0.798 119.135 119.914 0.031 0.000 2.769 292 V HA 0.676 4.796 4.120 0.000 0.000 0.312 292 V C -2.498 173.600 176.094 0.007 0.000 1.061 292 V CA -2.668 59.626 62.300 -0.009 0.000 0.931 292 V CB 1.830 33.631 31.823 -0.037 0.000 1.010 292 V HN 0.649 nan 8.190 nan 0.000 0.433 293 P HA 0.213 nan 4.420 nan 0.000 0.275 293 P C -0.786 176.525 177.300 0.019 0.000 1.228 293 P CA -0.198 62.915 63.100 0.020 0.000 0.786 293 P CB 0.557 32.257 31.700 -0.001 0.000 0.927 294 N N 1.777 120.506 118.700 0.048 0.000 2.663 294 N HA 0.116 4.856 4.740 0.000 0.000 0.250 294 N C 0.691 176.231 175.510 0.050 0.000 1.129 294 N CA 0.210 53.290 53.050 0.051 0.000 0.995 294 N CB -0.033 38.486 38.487 0.054 0.000 1.324 294 N HN 0.508 nan 8.380 nan 0.000 0.512 295 T N -2.916 111.669 114.554 0.051 0.000 3.186 295 T HA 0.144 4.494 4.350 0.000 0.000 0.292 295 T C 1.362 176.105 174.700 0.072 0.000 0.915 295 T CA -0.311 61.827 62.100 0.064 0.000 0.902 295 T CB 0.299 69.203 68.868 0.060 0.000 1.192 295 T HN -0.034 nan 8.240 nan 0.000 0.563 296 K N 2.278 122.718 120.400 0.066 0.000 2.147 296 K HA 0.008 4.328 4.320 0.000 0.000 0.205 296 K C 0.366 177.015 176.600 0.080 0.000 1.049 296 K CA 1.495 57.819 56.287 0.062 0.000 0.936 296 K CB -0.238 32.294 32.500 0.053 0.000 0.722 296 K HN 0.420 nan 8.250 nan 0.000 0.446 297 D N -1.022 119.453 120.400 0.126 0.000 2.538 297 D HA 0.149 4.789 4.640 0.000 0.000 0.231 297 D C 0.473 176.905 176.300 0.220 0.000 1.229 297 D CA 0.009 54.099 54.000 0.151 0.000 0.828 297 D CB 0.395 41.275 40.800 0.133 0.000 1.035 297 D HN 0.058 nan 8.370 nan 0.000 0.495 298 L N -0.159 121.158 121.223 0.158 0.000 2.509 298 L HA 0.075 4.415 4.340 0.000 0.000 0.222 298 L C 0.381 177.375 176.870 0.207 0.000 1.123 298 L CA 0.087 55.010 54.840 0.139 0.000 0.856 298 L CB -0.066 42.072 42.059 0.132 0.000 0.985 298 L HN -0.080 nan 8.230 nan 0.000 0.456 299 S N 0.742 116.545 115.700 0.171 0.000 3.614 299 S HA -0.165 4.305 4.470 0.000 0.000 0.360 299 S C 1.103 175.830 174.600 0.211 0.000 1.023 299 S CA 0.687 58.985 58.200 0.162 0.000 1.114 299 S CB -1.408 61.883 63.200 0.152 0.000 0.907 299 S HN 0.410 nan 8.310 nan 0.000 0.470 300 L N 0.547 121.893 121.223 0.205 0.000 2.465 300 L HA 0.073 4.413 4.340 0.000 0.000 0.224 300 L C 1.951 178.834 176.870 0.021 0.000 1.145 300 L CA 1.640 56.561 54.840 0.135 0.000 0.834 300 L CB -0.880 41.259 42.059 0.134 0.000 0.944 300 L HN 0.561 nan 8.230 nan 0.000 0.451 301 N N 1.338 120.064 118.700 0.043 0.000 2.309 301 N HA -0.222 4.518 4.740 0.000 0.000 0.182 301 N C 1.425 176.937 175.510 0.003 0.000 1.018 301 N CA 1.230 54.289 53.050 0.016 0.000 0.876 301 N CB -0.360 38.142 38.487 0.025 0.000 0.972 301 N HN 0.523 nan 8.380 nan 0.000 0.434 302 K N -0.318 120.094 120.400 0.021 0.000 2.442 302 K HA 0.006 4.326 4.320 0.000 0.000 0.198 302 K C 0.802 177.386 176.600 -0.026 0.000 1.042 302 K CA 0.424 56.720 56.287 0.015 0.000 0.958 302 K CB 0.155 32.689 32.500 0.056 0.000 0.766 302 K HN 0.114 nan 8.250 nan 0.000 0.474 303 L N -0.998 120.179 121.223 -0.078 0.000 3.086 303 L HA 0.279 4.619 4.340 0.000 0.000 0.274 303 L C 0.483 177.281 176.870 -0.120 0.000 1.184 303 L CA 0.554 55.312 54.840 -0.135 0.000 1.002 303 L CB 0.809 42.695 42.059 -0.288 0.000 1.383 303 L HN 0.239 nan 8.230 nan 0.000 0.582 304 G N 1.084 109.836 108.800 -0.080 0.000 2.198 304 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 304 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 304 G C 0.398 175.255 174.900 -0.072 0.000 1.025 304 G CA 0.441 45.504 45.100 -0.062 0.000 0.769 304 G HN 0.341 nan 8.290 nan 0.000 0.507 305 I N 0.660 121.175 120.570 -0.092 0.000 2.517 305 I HA 0.103 4.273 4.170 0.000 0.000 0.285 305 I C 1.148 177.246 176.117 -0.031 0.000 1.106 305 I CA -0.008 61.243 61.300 -0.082 0.000 1.402 305 I CB 0.876 38.811 38.000 -0.108 0.000 1.399 305 I HN 0.271 nan 8.210 nan 0.000 0.535 306 Q N 5.253 125.040 119.800 -0.023 0.000 2.332 306 Q HA 0.229 4.569 4.340 0.000 0.000 0.263 306 Q C -0.291 175.719 176.000 0.018 0.000 0.979 306 Q CA 0.084 55.885 55.803 -0.003 0.000 0.885 306 Q CB 0.904 29.639 28.738 -0.005 0.000 1.218 306 Q HN 0.803 nan 8.270 nan 0.000 0.405 307 T N -0.285 114.284 114.554 0.024 0.000 2.843 307 T HA 0.409 4.759 4.350 0.000 0.000 0.302 307 T C -0.885 173.839 174.700 0.040 0.000 1.232 307 T CA -1.025 61.100 62.100 0.042 0.000 1.009 307 T CB 1.390 70.281 68.868 0.038 0.000 1.254 307 T HN 0.630 nan 8.240 nan 0.000 0.504 308 D N -0.197 120.239 120.400 0.060 0.000 2.506 308 D HA 0.215 4.856 4.640 0.000 0.000 0.272 308 D C 0.996 177.313 176.300 0.029 0.000 1.214 308 D CA -0.523 53.510 54.000 0.054 0.000 1.067 308 D CB 0.222 41.081 40.800 0.097 0.000 1.117 308 D HN 0.652 nan 8.370 nan 0.000 0.578 309 D N -0.778 119.638 120.400 0.026 0.000 2.310 309 D HA -0.161 4.479 4.640 0.000 0.000 0.212 309 D C 0.922 177.215 176.300 -0.011 0.000 0.965 309 D CA 0.650 54.656 54.000 0.010 0.000 0.879 309 D CB -0.018 40.790 40.800 0.014 0.000 0.921 309 D HN 0.173 nan 8.370 nan 0.000 0.510 310 K N -0.295 120.089 120.400 -0.028 0.000 2.379 310 K HA 0.157 4.477 4.320 0.000 0.000 0.194 310 K C 1.500 177.958 176.600 -0.237 0.000 1.031 310 K CA 0.763 56.976 56.287 -0.124 0.000 1.037 310 K CB 0.760 33.176 32.500 -0.141 0.000 0.824 310 K HN 0.386 nan 8.250 nan 0.000 0.516 311 G N 1.492 110.201 108.800 -0.152 0.000 2.179 311 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 311 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 311 G C -0.356 174.482 174.900 -0.103 0.000 0.990 311 G CA -0.163 44.865 45.100 -0.119 0.000 0.646 311 G HN 0.470 nan 8.290 nan 0.000 0.517 312 H N -0.107 118.981 119.070 0.029 0.000 2.652 312 H HA 0.519 5.075 4.556 0.000 0.000 0.349 312 H C 1.000 176.346 175.328 0.030 0.000 1.099 312 H CA -0.175 55.891 56.048 0.030 0.000 1.417 312 H CB 0.945 30.719 29.762 0.020 0.000 1.457 312 H HN 0.246 nan 8.280 nan 0.000 0.568 313 I N 4.238 124.910 120.570 0.170 0.000 2.471 313 I HA -0.018 4.152 4.170 0.000 0.000 0.286 313 I C 0.023 176.191 176.117 0.085 0.000 1.079 313 I CA -0.214 61.151 61.300 0.108 0.000 1.398 313 I CB 0.404 38.469 38.000 0.107 0.000 1.403 313 I HN 0.372 nan 8.210 nan 0.000 0.530 314 I N 7.594 128.199 120.570 0.057 0.000 2.529 314 I HA 0.258 4.428 4.170 0.000 0.000 0.284 314 I C 0.311 176.443 176.117 0.026 0.000 1.082 314 I CA 0.037 61.355 61.300 0.031 0.000 1.406 314 I CB 0.949 38.961 38.000 0.019 0.000 1.405 314 I HN 0.314 nan 8.210 nan 0.000 0.548 315 V N 2.464 122.386 119.914 0.013 0.000 3.188 315 V HA 0.690 4.810 4.120 0.000 0.000 0.305 315 V C -0.835 175.264 176.094 0.008 0.000 1.232 315 V CA -1.020 61.297 62.300 0.030 0.000 1.043 315 V CB 2.122 33.982 31.823 0.061 0.000 1.068 315 V HN 0.721 nan 8.190 nan 0.000 0.439 316 D N -0.156 120.269 120.400 0.042 0.000 2.539 316 D HA 0.332 4.972 4.640 0.000 0.000 0.276 316 D C 0.768 177.055 176.300 -0.021 0.000 1.206 316 D CA -0.237 53.776 54.000 0.021 0.000 1.081 316 D CB 0.515 41.367 40.800 0.086 0.000 1.142 316 D HN 0.673 nan 8.370 nan 0.000 0.595 317 E N -1.336 118.793 120.200 -0.118 0.000 2.267 317 E HA -0.118 4.232 4.350 0.000 0.000 0.197 317 E C 0.671 177.068 176.600 -0.338 0.000 0.998 317 E CA 0.879 57.108 56.400 -0.284 0.000 0.830 317 E CB -0.312 29.100 29.700 -0.480 0.000 0.751 317 E HN 0.378 nan 8.360 nan 0.000 0.491 318 F N 0.308 120.315 119.950 0.094 0.000 2.639 318 F HA 0.133 4.660 4.527 0.000 0.000 0.300 318 F C 0.439 176.341 175.800 0.170 0.000 1.109 318 F CA -0.077 57.995 58.000 0.120 0.000 1.335 318 F CB 0.436 39.505 39.000 0.115 0.000 1.014 318 F HN -0.212 nan 8.300 nan 0.000 0.537 319 Q N -0.870 119.084 119.800 0.257 0.000 2.489 319 Q HA -0.231 4.109 4.340 0.000 0.000 0.259 319 Q C -0.823 175.369 176.000 0.321 0.000 0.934 319 Q CA 0.438 56.396 55.803 0.258 0.000 1.131 319 Q CB -2.407 26.497 28.738 0.275 0.000 1.472 319 Q HN 0.394 nan 8.270 nan 0.000 0.560 320 N N 1.655 120.526 118.700 0.285 0.000 2.514 320 N HA 0.200 4.940 4.740 0.000 0.000 0.277 320 N C 0.879 176.423 175.510 0.056 0.000 1.126 320 N CA 0.686 53.838 53.050 0.171 0.000 0.978 320 N CB 1.130 39.707 38.487 0.151 0.000 1.106 320 N HN 0.378 nan 8.380 nan 0.000 0.461 321 T N -1.055 113.475 114.554 -0.040 0.000 2.900 321 T HA 0.078 4.428 4.350 0.000 0.000 0.326 321 T C 1.285 175.952 174.700 -0.055 0.000 1.145 321 T CA -0.378 61.700 62.100 -0.036 0.000 0.963 321 T CB 0.275 69.105 68.868 -0.064 0.000 1.512 321 T HN 0.556 nan 8.240 nan 0.000 0.552 322 N N -0.607 118.058 118.700 -0.057 0.000 2.353 322 N HA 0.036 4.776 4.740 0.000 0.000 0.185 322 N C -0.293 175.168 175.510 -0.082 0.000 1.098 322 N CA -0.085 52.933 53.050 -0.054 0.000 0.872 322 N CB 0.010 38.474 38.487 -0.040 0.000 0.970 322 N HN 0.364 nan 8.380 nan 0.000 0.467 323 V N 2.305 122.147 119.914 -0.120 0.000 2.334 323 V HA 0.184 4.304 4.120 0.000 0.000 0.281 323 V C 0.052 176.033 176.094 -0.190 0.000 1.016 323 V CA -1.122 61.092 62.300 -0.144 0.000 0.832 323 V CB 1.440 33.161 31.823 -0.171 0.000 0.999 323 V HN 0.032 nan 8.190 nan 0.000 0.439 324 K N 3.138 123.442 120.400 -0.159 0.000 2.550 324 K HA 0.141 4.461 4.320 0.000 0.000 0.280 324 K C 1.381 177.842 176.600 -0.231 0.000 0.987 324 K CA 1.070 57.246 56.287 -0.185 0.000 1.048 324 K CB -0.003 32.428 32.500 -0.115 0.000 0.879 324 K HN 1.216 nan 8.250 nan 0.000 0.491 325 G N 1.717 110.315 108.800 -0.337 0.000 2.195 325 G HA2 -0.258 3.702 3.960 0.000 0.000 0.246 325 G HA3 -0.258 3.702 3.960 0.000 0.000 0.246 325 G C 0.127 174.857 174.900 -0.283 0.000 0.984 325 G CA -0.049 44.883 45.100 -0.279 0.000 0.633 325 G HN 0.515 nan 8.290 nan 0.000 0.525 326 I N 0.435 120.699 120.570 -0.511 0.000 2.465 326 I HA 0.646 4.816 4.170 0.000 0.000 0.291 326 I C -0.245 175.564 176.117 -0.515 0.000 1.014 326 I CA -1.257 59.864 61.300 -0.299 0.000 1.093 326 I CB 1.512 39.413 38.000 -0.166 0.000 1.267 326 I HN 0.039 nan 8.210 nan 0.000 0.431 327 Y N 3.844 124.237 120.300 0.155 0.000 2.665 327 Y HA 0.881 5.431 4.550 -0.000 0.000 0.336 327 Y C -0.003 175.989 175.900 0.153 0.000 1.085 327 Y CA -1.270 56.927 58.100 0.161 0.000 1.096 327 Y CB 1.720 40.308 38.460 0.214 0.000 1.301 327 Y HN 0.552 nan 8.280 nan 0.000 0.493 328 A N 0.548 123.554 122.820 0.311 0.000 2.547 328 A HA 0.861 5.181 4.320 0.000 0.000 0.297 328 A C -1.488 176.214 177.584 0.197 0.000 1.056 328 A CA -0.480 51.687 52.037 0.217 0.000 0.688 328 A CB 1.239 20.335 19.000 0.160 0.000 1.282 328 A HN 1.244 nan 8.150 nan 0.000 0.400 329 V N -1.197 118.816 119.914 0.165 0.000 3.206 329 V HA 1.014 5.134 4.120 0.000 0.000 0.305 329 V C 0.464 176.631 176.094 0.122 0.000 1.257 329 V CA 0.098 62.489 62.300 0.152 0.000 1.057 329 V CB 0.846 32.760 31.823 0.151 0.000 1.075 329 V HN 2.982 nan 8.190 nan 0.000 0.443 330 G N 1.393 110.265 108.800 0.119 0.000 2.632 330 G HA2 -0.163 3.797 3.960 0.000 0.000 0.224 330 G HA3 -0.163 3.797 3.960 0.000 0.000 0.224 330 G C -0.035 174.922 174.900 0.095 0.000 1.341 330 G CA 0.619 45.778 45.100 0.098 0.000 0.880 330 G HN 1.115 nan 8.290 nan 0.000 0.566 331 D N -0.786 119.668 120.400 0.090 0.000 2.228 331 D HA -0.058 4.582 4.640 0.000 0.000 0.203 331 D C 2.461 178.839 176.300 0.131 0.000 0.988 331 D CA 1.375 55.435 54.000 0.100 0.000 0.864 331 D CB -0.166 40.695 40.800 0.101 0.000 0.928 331 D HN 0.540 nan 8.370 nan 0.000 0.469 332 V N -0.256 119.735 119.914 0.127 0.000 2.867 332 V HA -0.213 3.908 4.120 0.000 0.000 0.260 332 V C 1.734 177.945 176.094 0.194 0.000 1.099 332 V CA 1.265 63.661 62.300 0.159 0.000 1.122 332 V CB -0.223 31.671 31.823 0.118 0.000 0.708 332 V HN 0.331 nan 8.190 nan 0.000 0.490 333 C N 0.280 119.649 119.300 0.115 0.000 2.673 333 C HA 0.438 4.898 4.460 0.000 0.000 0.264 333 C C 2.026 176.926 174.990 -0.150 0.000 1.304 333 C CA 0.154 59.197 59.018 0.043 0.000 1.727 333 C CB -0.875 26.883 27.740 0.029 0.000 1.932 333 C HN 0.825 nan 8.230 nan 0.000 0.563 334 G N 1.250 109.928 108.800 -0.203 0.000 2.155 334 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 334 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 334 G C -0.104 174.622 174.900 -0.289 0.000 0.983 334 G CA 0.855 45.638 45.100 -0.528 0.000 0.676 334 G HN 0.537 nan 8.290 nan 0.000 0.528 335 K N 0.088 120.399 120.400 -0.149 0.000 2.376 335 K HA 0.733 5.053 4.320 0.000 0.000 0.257 335 K C 0.461 177.076 176.600 0.025 0.000 0.939 335 K CA 0.362 56.587 56.287 -0.104 0.000 0.809 335 K CB 1.160 33.538 32.500 -0.203 0.000 1.121 335 K HN 1.789 nan 8.250 nan 0.000 0.425 336 A N 4.024 126.864 122.820 0.033 0.000 2.303 336 A HA -0.154 4.166 4.320 0.000 0.000 0.286 336 A C -0.590 177.034 177.584 0.068 0.000 1.429 336 A CA 0.241 52.321 52.037 0.071 0.000 0.738 336 A CB -1.864 17.244 19.000 0.180 0.000 1.149 336 A HN 0.523 nan 8.150 nan 0.000 0.364 337 L N 1.310 122.565 121.223 0.053 0.000 2.400 337 L HA 0.435 4.775 4.340 0.000 0.000 0.262 337 L C 0.329 177.241 176.870 0.071 0.000 1.309 337 L CA 1.245 56.133 54.840 0.078 0.000 1.186 337 L CB -0.678 41.449 42.059 0.114 0.000 1.375 337 L HN 0.548 nan 8.230 nan 0.000 0.433 338 L N -0.124 121.127 121.223 0.048 0.000 2.409 338 L HA 0.411 4.751 4.340 0.000 0.000 0.262 338 L C 1.304 178.191 176.870 0.027 0.000 0.992 338 L CA -0.486 54.370 54.840 0.028 0.000 0.817 338 L CB 1.962 44.012 42.059 -0.015 0.000 1.350 338 L HN 0.082 nan 8.230 nan 0.000 0.411 339 T N 0.738 115.309 114.554 0.027 0.000 2.674 339 T HA -0.073 4.277 4.350 0.000 0.000 0.265 339 T C -1.127 173.570 174.700 -0.004 0.000 1.039 339 T CA 1.813 63.921 62.100 0.012 0.000 1.150 339 T CB -0.533 68.340 68.868 0.007 0.000 0.864 339 T HN 0.468 nan 8.240 nan 0.000 0.427 340 P HA 0.006 nan 4.420 nan 0.000 0.220 340 P C 1.456 178.729 177.300 -0.044 0.000 1.148 340 P CA 0.523 63.607 63.100 -0.026 0.000 0.803 340 P CB -0.121 31.562 31.700 -0.027 0.000 0.782 341 V N -0.040 119.846 119.914 -0.046 0.000 2.379 341 V HA -0.184 3.936 4.120 0.000 0.000 0.245 341 V C 2.432 178.504 176.094 -0.036 0.000 1.044 341 V CA 2.099 64.351 62.300 -0.080 0.000 1.036 341 V CB -1.621 30.171 31.823 -0.051 0.000 0.664 341 V HN 0.093 nan 8.190 nan 0.000 0.453 342 A N 0.050 122.876 122.820 0.009 0.000 1.902 342 A HA -0.151 4.169 4.320 0.000 0.000 0.217 342 A C 2.189 179.786 177.584 0.022 0.000 1.181 342 A CA 1.796 53.853 52.037 0.034 0.000 0.623 342 A CB -0.508 18.515 19.000 0.039 0.000 0.818 342 A HN 0.481 nan 8.150 nan 0.000 0.443 343 I N -0.313 120.259 120.570 0.003 0.000 2.142 343 I HA -0.292 3.878 4.170 0.000 0.000 0.240 343 I C 3.028 179.145 176.117 0.001 0.000 1.078 343 I CA 1.153 62.454 61.300 0.003 0.000 1.343 343 I CB -0.450 37.544 38.000 -0.009 0.000 1.046 343 I HN 0.372 nan 8.210 nan 0.000 0.405 344 A N 0.818 123.623 122.820 -0.025 0.000 1.858 344 A HA -0.192 4.128 4.320 0.000 0.000 0.216 344 A C 2.555 180.122 177.584 -0.029 0.000 1.190 344 A CA 2.006 54.019 52.037 -0.040 0.000 0.617 344 A CB -0.980 17.968 19.000 -0.088 0.000 0.827 344 A HN 0.444 nan 8.150 nan 0.000 0.443 345 A N -0.560 122.240 122.820 -0.033 0.000 1.908 345 A HA 0.067 4.387 4.320 0.000 0.000 0.218 345 A C 2.413 180.036 177.584 0.065 0.000 1.181 345 A CA 2.076 54.126 52.037 0.021 0.000 0.627 345 A CB -1.415 17.632 19.000 0.080 0.000 0.818 345 A HN 0.783 nan 8.150 nan 0.000 0.445 346 G N -0.761 108.077 108.800 0.064 0.000 2.422 346 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 346 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 346 G C 1.786 176.727 174.900 0.069 0.000 1.146 346 G CA 0.871 46.022 45.100 0.084 0.000 0.769 346 G HN 0.578 nan 8.290 nan 0.000 0.547 347 R N -0.002 120.527 120.500 0.048 0.000 2.073 347 R HA 0.057 4.397 4.340 0.000 0.000 0.229 347 R C 2.519 178.868 176.300 0.081 0.000 1.120 347 R CA 0.862 56.990 56.100 0.047 0.000 0.967 347 R CB -0.140 30.182 30.300 0.036 0.000 0.862 347 R HN 0.087 nan 8.270 nan 0.000 0.436 348 K N 0.806 121.243 120.400 0.061 0.000 2.209 348 K HA -0.134 4.186 4.320 0.000 0.000 0.204 348 K C 1.990 178.642 176.600 0.087 0.000 1.048 348 K CA 0.833 57.147 56.287 0.045 0.000 0.940 348 K CB -0.223 32.276 32.500 -0.002 0.000 0.729 348 K HN 0.108 nan 8.250 nan 0.000 0.451 349 L N 0.724 121.997 121.223 0.084 0.000 2.049 349 L HA 0.026 4.366 4.340 0.000 0.000 0.203 349 L C 2.131 179.012 176.870 0.018 0.000 1.074 349 L CA 1.778 56.651 54.840 0.055 0.000 0.749 349 L CB -0.825 41.269 42.059 0.059 0.000 0.907 349 L HN 0.084 nan 8.230 nan 0.000 0.439 350 A N -1.390 121.437 122.820 0.011 0.000 2.076 350 A HA -0.276 4.044 4.320 0.000 0.000 0.220 350 A C 2.295 179.937 177.584 0.097 0.000 1.160 350 A CA 1.664 53.678 52.037 -0.039 0.000 0.653 350 A CB -1.065 17.814 19.000 -0.202 0.000 0.801 350 A HN 0.738 nan 8.150 nan 0.000 0.455 351 H N 0.120 119.173 119.070 -0.029 0.000 2.276 351 H HA -0.076 4.480 4.556 0.000 0.000 0.301 351 H C 2.254 177.533 175.328 -0.081 0.000 1.073 351 H CA 1.980 58.005 56.048 -0.039 0.000 1.311 351 H CB -0.276 29.474 29.762 -0.019 0.000 1.379 351 H HN 0.528 nan 8.280 nan 0.000 0.494 352 R N 0.263 120.871 120.500 0.180 0.000 2.073 352 R HA -0.068 4.272 4.340 0.000 0.000 0.234 352 R C 2.641 178.823 176.300 -0.197 0.000 1.134 352 R CA 1.551 57.666 56.100 0.025 0.000 0.952 352 R CB -0.232 30.077 30.300 0.015 0.000 0.850 352 R HN 0.316 nan 8.270 nan 0.000 0.433 353 L N -0.283 120.769 121.223 -0.285 0.000 2.465 353 L HA -0.011 4.329 4.340 0.000 0.000 0.224 353 L C 0.526 176.653 176.870 -1.238 0.000 1.145 353 L CA 0.638 55.056 54.840 -0.703 0.000 0.834 353 L CB 0.104 41.628 42.059 -0.892 0.000 0.944 353 L HN 0.199 nan 8.230 nan 0.000 0.451 354 F N -1.885 117.723 119.950 -0.571 0.000 2.837 354 F HA 0.234 4.761 4.527 -0.000 0.000 0.328 354 F C 1.291 176.710 175.800 -0.636 0.000 1.173 354 F CA -0.163 57.473 58.000 -0.607 0.000 1.160 354 F CB 0.398 39.148 39.000 -0.416 0.000 1.115 354 F HN -0.134 nan 8.300 nan 0.000 0.512 355 E N -1.247 118.579 120.200 -0.623 0.000 2.633 355 E HA 0.088 4.438 4.350 0.000 0.000 0.214 355 E C -0.545 175.943 176.600 -0.186 0.000 0.898 355 E CA 0.134 56.318 56.400 -0.361 0.000 1.422 355 E CB 0.538 30.021 29.700 -0.362 0.000 1.398 355 E HN 0.274 nan 8.360 nan 0.000 0.752 356 Y N 0.863 121.177 120.300 0.024 0.000 3.091 356 Y HA -0.196 4.354 4.550 0.000 0.000 0.189 356 Y C -0.158 175.769 175.900 0.044 0.000 1.520 356 Y CA 0.294 58.401 58.100 0.011 0.000 1.121 356 Y CB -1.898 36.554 38.460 -0.013 0.000 1.411 356 Y HN -0.178 nan 8.280 nan 0.000 0.459 357 K N 1.204 121.698 120.400 0.157 0.000 2.484 357 K HA 0.235 4.555 4.320 0.000 0.000 0.226 357 K C 1.067 177.701 176.600 0.056 0.000 1.031 357 K CA -0.611 55.755 56.287 0.132 0.000 1.026 357 K CB 1.481 34.098 32.500 0.194 0.000 1.412 357 K HN 0.337 nan 8.250 nan 0.000 0.492 358 E N 2.082 122.298 120.200 0.026 0.000 2.279 358 E HA -0.240 4.110 4.350 0.000 0.000 0.205 358 E C 0.812 177.445 176.600 0.055 0.000 1.028 358 E CA 2.069 58.440 56.400 -0.049 0.000 0.830 358 E CB 0.227 29.912 29.700 -0.025 0.000 0.736 358 E HN 0.554 nan 8.360 nan 0.000 0.478 359 D N -1.105 119.364 120.400 0.114 0.000 2.339 359 D HA -0.021 4.620 4.640 0.000 0.000 0.217 359 D C 0.074 176.467 176.300 0.155 0.000 1.050 359 D CA 0.052 54.158 54.000 0.177 0.000 0.856 359 D CB -0.148 40.710 40.800 0.097 0.000 0.922 359 D HN 0.027 nan 8.370 nan 0.000 0.518 360 S N 0.826 116.583 115.700 0.095 0.000 2.430 360 S HA 0.290 4.760 4.470 0.000 0.000 0.282 360 S C -0.288 174.383 174.600 0.119 0.000 1.186 360 S CA -0.469 57.690 58.200 -0.068 0.000 1.060 360 S CB -0.266 62.718 63.200 -0.360 0.000 0.966 360 S HN 0.427 nan 8.310 nan 0.000 0.501 361 K N 3.135 123.555 120.400 0.032 0.000 2.639 361 K HA 0.350 4.670 4.320 0.000 0.000 0.279 361 K C -1.626 174.950 176.600 -0.039 0.000 0.976 361 K CA -1.104 55.201 56.287 0.031 0.000 0.861 361 K CB 0.265 32.713 32.500 -0.087 0.000 1.436 361 K HN 0.390 nan 8.250 nan 0.000 0.400 362 L N 2.101 123.300 121.223 -0.040 0.000 2.410 362 L HA 0.263 4.603 4.340 0.000 0.000 0.273 362 L C -0.593 176.202 176.870 -0.125 0.000 1.152 362 L CA 0.609 55.359 54.840 -0.150 0.000 0.855 362 L CB 0.671 42.534 42.059 -0.326 0.000 1.129 362 L HN 0.736 nan 8.230 nan 0.000 0.463 363 D N 3.435 123.753 120.400 -0.136 0.000 2.316 363 D HA 0.076 4.716 4.640 0.000 0.000 0.245 363 D C -0.070 176.172 176.300 -0.097 0.000 1.171 363 D CA 0.159 54.129 54.000 -0.049 0.000 0.856 363 D CB 0.442 41.218 40.800 -0.040 0.000 1.090 363 D HN 0.508 nan 8.370 nan 0.000 0.476 364 Y N 2.102 122.371 120.300 -0.052 0.000 2.471 364 Y HA 0.178 4.728 4.550 -0.000 0.000 0.286 364 Y C 0.283 176.158 175.900 -0.042 0.000 1.188 364 Y CA -0.336 57.736 58.100 -0.048 0.000 1.286 364 Y CB -0.347 38.080 38.460 -0.054 0.000 1.072 364 Y HN 0.286 nan 8.280 nan 0.000 0.517 365 N N 0.331 119.076 118.700 0.075 0.000 2.524 365 N HA 0.115 4.855 4.740 0.000 0.000 0.283 365 N C -0.286 175.234 175.510 0.016 0.000 1.142 365 N CA -0.264 52.811 53.050 0.042 0.000 0.984 365 N CB 0.163 38.670 38.487 0.034 0.000 1.155 365 N HN 0.133 nan 8.380 nan 0.000 0.467 366 N N -0.314 118.394 118.700 0.015 0.000 2.727 366 N HA -0.199 4.541 4.740 0.000 0.000 0.249 366 N C -1.078 174.425 175.510 -0.012 0.000 1.048 366 N CA 0.042 53.096 53.050 0.006 0.000 0.714 366 N CB -1.056 37.441 38.487 0.016 0.000 0.959 366 N HN 0.478 nan 8.380 nan 0.000 0.544 367 I N 1.633 122.189 120.570 -0.022 0.000 2.396 367 I HA 0.205 4.375 4.170 0.000 0.000 0.289 367 I C -1.462 174.628 176.117 -0.044 0.000 1.056 367 I CA -1.498 59.778 61.300 -0.041 0.000 1.365 367 I CB 0.477 38.448 38.000 -0.048 0.000 1.407 367 I HN -0.048 nan 8.210 nan 0.000 0.509 368 P HA 0.213 nan 4.420 nan 0.000 0.281 368 P C -0.639 176.623 177.300 -0.064 0.000 1.249 368 P CA -0.277 62.799 63.100 -0.041 0.000 0.810 368 P CB 1.839 33.529 31.700 -0.018 0.000 1.008 369 T N 0.408 114.917 114.554 -0.076 0.000 2.923 369 T HA 0.442 4.792 4.350 0.000 0.000 0.311 369 T C -1.483 173.139 174.700 -0.130 0.000 1.183 369 T CA -0.472 61.561 62.100 -0.112 0.000 1.020 369 T CB 1.081 69.864 68.868 -0.142 0.000 1.165 369 T HN 0.103 nan 8.240 nan 0.000 0.482 370 V N 4.327 124.099 119.914 -0.236 0.000 2.604 370 V HA 0.638 4.758 4.120 0.000 0.000 0.305 370 V C -0.411 175.350 176.094 -0.554 0.000 1.043 370 V CA -0.652 61.398 62.300 -0.416 0.000 0.888 370 V CB 2.049 33.500 31.823 -0.620 0.000 0.995 370 V HN 0.793 nan 8.190 nan 0.000 0.429 371 V N 5.061 124.684 119.914 -0.484 0.000 2.398 371 V HA 0.411 4.531 4.120 0.000 0.000 0.286 371 V C -0.386 175.363 176.094 -0.575 0.000 1.026 371 V CA -0.413 61.665 62.300 -0.370 0.000 0.868 371 V CB 1.419 33.120 31.823 -0.202 0.000 0.982 371 V HN 0.728 nan 8.190 nan 0.000 0.443 372 F N 3.396 123.136 119.950 -0.351 0.000 2.640 372 F HA 0.307 4.834 4.527 0.000 0.000 0.354 372 F C 1.170 176.710 175.800 -0.434 0.000 1.213 372 F CA 0.411 57.953 58.000 -0.764 0.000 1.314 372 F CB 0.309 38.553 39.000 -1.260 0.000 1.679 372 F HN 0.519 nan 8.300 nan 0.000 0.622 373 S N 0.407 116.027 115.700 -0.134 0.000 2.623 373 S HA 0.419 4.889 4.470 0.000 0.000 0.278 373 S C -0.410 174.141 174.600 -0.083 0.000 1.148 373 S CA -0.476 57.699 58.200 -0.042 0.000 1.028 373 S CB 0.589 63.764 63.200 -0.040 0.000 1.145 373 S HN 0.417 nan 8.310 nan 0.000 0.523 374 H N 1.357 120.543 119.070 0.194 0.000 2.991 374 H HA 0.377 4.933 4.556 -0.000 0.000 0.304 374 H C -2.572 172.786 175.328 0.050 0.000 1.040 374 H CA -1.445 54.684 56.048 0.135 0.000 1.410 374 H CB 0.964 30.756 29.762 0.049 0.000 1.529 374 H HN 0.412 nan 8.280 nan 0.000 0.509 375 P HA 0.128 nan 4.420 nan 0.000 0.274 375 P C -2.482 174.876 177.300 0.097 0.000 1.256 375 P CA -1.500 61.676 63.100 0.126 0.000 0.795 375 P CB 0.228 31.979 31.700 0.086 0.000 1.038 376 P HA 0.194 nan 4.420 nan 0.000 0.272 376 P C -0.548 176.701 177.300 -0.085 0.000 1.230 376 P CA 0.318 63.400 63.100 -0.030 0.000 0.788 376 P CB 0.669 32.338 31.700 -0.052 0.000 0.949 377 I N 0.401 120.866 120.570 -0.175 0.000 2.493 377 I HA 0.560 4.730 4.170 0.000 0.000 0.298 377 I C 0.727 176.770 176.117 -0.122 0.000 0.998 377 I CA -0.481 60.751 61.300 -0.114 0.000 1.137 377 I CB 2.070 39.997 38.000 -0.122 0.000 1.310 377 I HN 0.372 nan 8.210 nan 0.000 0.445 378 G N 2.354 111.133 108.800 -0.035 0.000 2.643 378 G HA2 0.617 4.577 3.960 0.000 0.000 0.305 378 G HA3 0.617 4.577 3.960 0.000 0.000 0.305 378 G C -1.232 173.692 174.900 0.041 0.000 1.387 378 G CA -0.357 44.726 45.100 -0.027 0.000 0.982 378 G HN 0.482 nan 8.290 nan 0.000 0.501 379 T N -0.337 114.241 114.554 0.041 0.000 2.982 379 T HA 0.646 4.996 4.350 0.000 0.000 0.321 379 T C -1.737 172.954 174.700 -0.014 0.000 1.229 379 T CA -0.470 61.670 62.100 0.066 0.000 1.044 379 T CB 1.923 70.932 68.868 0.234 0.000 1.184 379 T HN 1.220 nan 8.240 nan 0.000 0.477 380 V N 3.854 123.722 119.914 -0.077 0.000 2.969 380 V HA 0.823 4.943 4.120 0.000 0.000 0.304 380 V C 0.268 176.316 176.094 -0.077 0.000 1.192 380 V CA 1.103 63.369 62.300 -0.057 0.000 0.962 380 V CB 1.143 32.952 31.823 -0.024 0.000 1.045 380 V HN 1.871 nan 8.190 nan 0.000 0.428 381 G N 4.663 113.452 108.800 -0.018 0.000 2.615 381 G HA2 -0.111 3.849 3.960 0.000 0.000 0.218 381 G HA3 -0.111 3.849 3.960 0.000 0.000 0.218 381 G C -0.858 174.090 174.900 0.079 0.000 1.339 381 G CA -0.241 44.868 45.100 0.014 0.000 0.884 381 G HN 1.277 nan 8.290 nan 0.000 0.559 382 L N 1.286 122.576 121.223 0.112 0.000 2.375 382 L HA 0.550 4.890 4.340 0.000 0.000 0.271 382 L C 1.704 178.723 176.870 0.248 0.000 1.107 382 L CA -0.233 54.691 54.840 0.139 0.000 0.806 382 L CB 1.199 43.337 42.059 0.131 0.000 1.146 382 L HN 1.025 nan 8.230 nan 0.000 0.447 383 T N -2.657 111.949 114.554 0.086 0.000 2.788 383 T HA 0.049 4.399 4.350 0.000 0.000 0.287 383 T C 0.915 175.635 174.700 0.033 0.000 1.007 383 T CA -0.478 61.577 62.100 -0.075 0.000 1.005 383 T CB 1.231 70.001 68.868 -0.165 0.000 1.012 383 T HN 0.768 nan 8.240 nan 0.000 0.530 384 E N 0.226 120.423 120.200 -0.005 0.000 2.085 384 E HA -0.220 4.130 4.350 0.000 0.000 0.194 384 E C 1.442 178.064 176.600 0.037 0.000 0.994 384 E CA 1.586 58.008 56.400 0.036 0.000 0.801 384 E CB -0.108 29.600 29.700 0.013 0.000 0.743 384 E HN 0.678 nan 8.360 nan 0.000 0.453 385 D N 0.341 120.747 120.400 0.009 0.000 2.144 385 D HA -0.149 4.491 4.640 0.000 0.000 0.200 385 D C 1.755 178.081 176.300 0.044 0.000 0.978 385 D CA 1.010 55.022 54.000 0.020 0.000 0.833 385 D CB -0.114 40.681 40.800 -0.007 0.000 0.961 385 D HN 0.367 nan 8.370 nan 0.000 0.470 386 E N 0.821 121.038 120.200 0.027 0.000 2.106 386 E HA -0.099 4.251 4.350 0.000 0.000 0.192 386 E C 2.111 178.766 176.600 0.092 0.000 0.984 386 E CA 0.863 57.284 56.400 0.035 0.000 0.806 386 E CB 0.012 29.716 29.700 0.006 0.000 0.750 386 E HN 0.170 nan 8.360 nan 0.000 0.458 387 A N 1.287 124.184 122.820 0.128 0.000 1.898 387 A HA -0.132 4.188 4.320 0.000 0.000 0.216 387 A C 2.179 179.895 177.584 0.220 0.000 1.181 387 A CA 0.852 53.028 52.037 0.231 0.000 0.620 387 A CB -0.528 18.615 19.000 0.238 0.000 0.819 387 A HN 0.121 nan 8.150 nan 0.000 0.442 388 I N -0.903 119.752 120.570 0.143 0.000 2.264 388 I HA -0.293 3.877 4.170 0.000 0.000 0.248 388 I C 2.599 178.769 176.117 0.089 0.000 1.111 388 I CA 1.742 63.107 61.300 0.108 0.000 1.382 388 I CB -0.435 37.608 38.000 0.072 0.000 1.060 388 I HN 0.556 nan 8.210 nan 0.000 0.418 389 H N 1.526 120.598 119.070 0.004 0.000 2.428 389 H HA -0.139 4.417 4.556 -0.000 0.000 0.296 389 H C 2.136 177.419 175.328 -0.075 0.000 1.062 389 H CA 1.522 57.553 56.048 -0.029 0.000 1.350 389 H CB 0.228 29.969 29.762 -0.036 0.000 1.403 389 H HN 0.273 nan 8.280 nan 0.000 0.533 390 K N -0.512 119.853 120.400 -0.059 0.000 2.116 390 K HA -0.101 4.219 4.320 0.000 0.000 0.203 390 K C 1.048 177.371 176.600 -0.461 0.000 1.052 390 K CA 1.017 57.119 56.287 -0.308 0.000 0.952 390 K CB 0.173 32.394 32.500 -0.466 0.000 0.729 390 K HN 0.215 nan 8.250 nan 0.000 0.446 391 Y N -0.616 119.668 120.300 -0.027 0.000 2.498 391 Y HA 0.312 4.862 4.550 0.000 0.000 0.259 391 Y C 0.543 176.418 175.900 -0.042 0.000 1.086 391 Y CA 0.275 58.357 58.100 -0.029 0.000 1.287 391 Y CB 1.354 39.807 38.460 -0.011 0.000 1.146 391 Y HN 0.172 nan 8.280 nan 0.000 0.523 392 G N 0.617 109.465 108.800 0.080 0.000 3.067 392 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 392 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 392 G C 0.427 175.355 174.900 0.046 0.000 1.119 392 G CA -0.336 44.781 45.100 0.029 0.000 0.790 392 G HN 0.199 nan 8.290 nan 0.000 0.605 393 I N 0.762 121.347 120.570 0.024 0.000 2.236 393 I HA -0.296 3.874 4.170 0.000 0.000 0.249 393 I C 2.657 178.779 176.117 0.009 0.000 1.102 393 I CA 2.368 63.679 61.300 0.018 0.000 1.365 393 I CB -0.242 37.763 38.000 0.008 0.000 1.051 393 I HN 0.863 nan 8.210 nan 0.000 0.420 394 E N 0.576 120.780 120.200 0.008 0.000 2.418 394 E HA -0.119 4.231 4.350 0.000 0.000 0.197 394 E C 0.771 177.372 176.600 0.001 0.000 1.026 394 E CA 0.726 57.126 56.400 0.001 0.000 0.862 394 E CB -0.247 29.454 29.700 0.001 0.000 0.799 394 E HN 0.563 nan 8.360 nan 0.000 0.518 395 N N 0.858 119.567 118.700 0.016 0.000 2.235 395 N HA 0.144 4.884 4.740 0.000 0.000 0.231 395 N C -1.001 174.495 175.510 -0.023 0.000 1.177 395 N CA 0.046 53.099 53.050 0.005 0.000 0.874 395 N CB 1.906 40.418 38.487 0.042 0.000 1.097 395 N HN -0.048 nan 8.380 nan 0.000 0.518 396 V N 0.883 120.790 119.914 -0.012 0.000 2.588 396 V HA 0.382 4.502 4.120 0.000 0.000 0.304 396 V C -0.191 175.872 176.094 -0.052 0.000 1.042 396 V CA -0.808 61.476 62.300 -0.026 0.000 0.877 396 V CB 2.870 34.710 31.823 0.028 0.000 0.996 396 V HN -0.049 nan 8.190 nan 0.000 0.425 397 K N 2.678 123.031 120.400 -0.079 0.000 2.443 397 K HA 0.724 5.044 4.320 0.000 0.000 0.252 397 K C -0.579 175.912 176.600 -0.182 0.000 0.933 397 K CA -0.372 55.824 56.287 -0.152 0.000 0.792 397 K CB 2.123 34.514 32.500 -0.181 0.000 1.185 397 K HN 0.876 nan 8.250 nan 0.000 0.425 398 T N 0.100 114.509 114.554 -0.240 0.000 2.888 398 T HA 0.498 4.848 4.350 0.000 0.000 0.284 398 T C -0.916 173.586 174.700 -0.331 0.000 1.017 398 T CA -0.565 61.434 62.100 -0.169 0.000 1.022 398 T CB 0.688 69.521 68.868 -0.058 0.000 1.013 398 T HN 0.381 nan 8.240 nan 0.000 0.465 399 Y N 1.056 121.339 120.300 -0.028 0.000 2.409 399 Y HA 0.648 5.198 4.550 -0.000 0.000 0.343 399 Y C 0.561 176.456 175.900 -0.007 0.000 0.973 399 Y CA -0.536 57.550 58.100 -0.023 0.000 1.064 399 Y CB 2.481 40.914 38.460 -0.045 0.000 1.207 399 Y HN 1.122 nan 8.280 nan 0.000 0.452 400 S N 0.799 116.588 115.700 0.149 0.000 2.570 400 S HA 0.846 5.316 4.470 0.000 0.000 0.270 400 S C -1.056 173.614 174.600 0.116 0.000 1.149 400 S CA -0.757 57.510 58.200 0.112 0.000 0.837 400 S CB 2.315 65.562 63.200 0.077 0.000 1.124 400 S HN 0.641 nan 8.310 nan 0.000 0.465 401 T N 0.407 115.039 114.554 0.131 0.000 2.853 401 T HA 0.788 5.138 4.350 0.000 0.000 0.311 401 T C -1.724 173.096 174.700 0.200 0.000 1.307 401 T CA -0.075 62.124 62.100 0.165 0.000 1.019 401 T CB 1.506 70.485 68.868 0.185 0.000 1.264 401 T HN 1.757 nan 8.240 nan 0.000 0.497 402 S N 2.474 118.308 115.700 0.223 0.000 2.548 402 S HA 0.911 5.381 4.470 0.000 0.000 0.276 402 S C -1.122 173.648 174.600 0.283 0.000 1.129 402 S CA -0.776 57.522 58.200 0.163 0.000 0.931 402 S CB 1.248 64.491 63.200 0.071 0.000 1.068 402 S HN 1.011 nan 8.310 nan 0.000 0.480 403 F N -1.515 118.473 119.950 0.063 0.000 2.779 403 F HA 0.795 5.322 4.527 -0.000 0.000 0.316 403 F C -1.109 174.746 175.800 0.092 0.000 1.164 403 F CA -0.984 57.059 58.000 0.072 0.000 0.924 403 F CB 0.927 39.973 39.000 0.077 0.000 1.348 403 F HN 0.422 nan 8.300 nan 0.000 0.467 404 T N 2.516 117.214 114.554 0.240 0.000 2.756 404 T HA 0.485 4.835 4.350 0.000 0.000 0.290 404 T C -2.696 172.215 174.700 0.351 0.000 0.985 404 T CA -1.114 61.089 62.100 0.171 0.000 0.955 404 T CB 0.973 69.939 68.868 0.164 0.000 0.930 404 T HN 0.326 nan 8.240 nan 0.000 0.451 405 P HA 0.011 nan 4.420 nan 0.000 0.265 405 P C 1.199 178.706 177.300 0.344 0.000 1.187 405 P CA -0.041 63.303 63.100 0.407 0.000 0.766 405 P CB 0.365 32.251 31.700 0.310 0.000 0.820 406 M N 1.591 121.361 119.600 0.285 0.000 2.629 406 M HA -0.138 4.342 4.480 0.000 0.000 0.257 406 M C 1.468 177.868 176.300 0.167 0.000 1.071 406 M CA 1.417 56.833 55.300 0.194 0.000 1.077 406 M CB -0.817 31.863 32.600 0.134 0.000 1.423 406 M HN 0.247 nan 8.290 nan 0.000 0.508 407 Y N 1.264 121.614 120.300 0.084 0.000 2.274 407 Y HA -0.200 4.350 4.550 0.000 0.000 0.290 407 Y C 1.812 177.750 175.900 0.064 0.000 1.145 407 Y CA 1.779 59.909 58.100 0.051 0.000 1.203 407 Y CB -0.353 38.058 38.460 -0.081 0.000 0.984 407 Y HN 0.383 nan 8.280 nan 0.000 0.533 408 H N -0.300 118.832 119.070 0.104 0.000 2.533 408 H HA 0.319 4.875 4.556 0.000 0.000 0.271 408 H C 2.109 177.415 175.328 -0.037 0.000 1.000 408 H CA 0.483 56.537 56.048 0.009 0.000 1.149 408 H CB -0.156 29.690 29.762 0.141 0.000 1.375 408 H HN 0.523 nan 8.280 nan 0.000 0.582 409 A N 1.051 123.901 122.820 0.049 0.000 2.024 409 A HA -0.106 4.214 4.320 0.000 0.000 0.220 409 A C 2.138 179.681 177.584 -0.069 0.000 1.164 409 A CA 1.799 53.844 52.037 0.013 0.000 0.643 409 A CB -0.397 18.611 19.000 0.013 0.000 0.806 409 A HN 0.288 nan 8.150 nan 0.000 0.451 410 V N -3.001 116.801 119.914 -0.187 0.000 3.276 410 V HA 0.273 4.393 4.120 0.000 0.000 0.319 410 V C 0.467 176.404 176.094 -0.262 0.000 1.427 410 V CA 0.466 62.600 62.300 -0.277 0.000 1.102 410 V CB -0.857 30.676 31.823 -0.483 0.000 1.020 410 V HN 0.493 nan 8.190 nan 0.000 0.456 411 T N -2.867 111.608 114.554 -0.132 0.000 2.925 411 T HA 0.507 4.857 4.350 0.000 0.000 0.285 411 T C 0.508 175.224 174.700 0.026 0.000 1.021 411 T CA -0.518 61.572 62.100 -0.017 0.000 1.042 411 T CB 2.416 71.371 68.868 0.144 0.000 1.037 411 T HN 0.188 nan 8.240 nan 0.000 0.481 412 K N -0.090 120.332 120.400 0.035 0.000 2.186 412 K HA 0.099 4.419 4.320 0.000 0.000 0.202 412 K C 1.339 177.946 176.600 0.012 0.000 1.052 412 K CA 0.249 56.546 56.287 0.017 0.000 0.965 412 K CB 0.129 32.640 32.500 0.017 0.000 0.746 412 K HN 0.490 nan 8.250 nan 0.000 0.457 413 R N 1.728 122.255 120.500 0.045 0.000 2.539 413 R HA 0.059 4.399 4.340 0.000 0.000 0.275 413 R C -0.709 175.521 176.300 -0.118 0.000 1.077 413 R CA 0.210 56.313 56.100 0.006 0.000 1.097 413 R CB 0.524 30.873 30.300 0.082 0.000 1.018 413 R HN -0.176 nan 8.270 nan 0.000 0.483 414 K N 1.985 122.233 120.400 -0.255 0.000 2.477 414 K HA 0.359 4.679 4.320 0.000 0.000 0.255 414 K C -1.010 175.324 176.600 -0.443 0.000 0.952 414 K CA -0.765 55.191 56.287 -0.551 0.000 0.826 414 K CB 2.245 34.587 32.500 -0.264 0.000 1.331 414 K HN 0.871 nan 8.250 nan 0.000 0.437 415 T N -1.802 112.448 114.554 -0.506 0.000 2.903 415 T HA 0.619 4.969 4.350 0.000 0.000 0.299 415 T C -0.562 174.106 174.700 -0.054 0.000 1.093 415 T CA -0.942 61.083 62.100 -0.126 0.000 1.002 415 T CB 2.190 71.097 68.868 0.065 0.000 1.127 415 T HN 0.594 nan 8.240 nan 0.000 0.488 416 K N -0.392 119.974 120.400 -0.056 0.000 2.280 416 K HA 0.825 5.145 4.320 0.000 0.000 0.234 416 K C -1.158 175.331 176.600 -0.184 0.000 1.028 416 K CA -1.052 55.171 56.287 -0.107 0.000 0.882 416 K CB 1.853 34.296 32.500 -0.094 0.000 1.194 416 K HN 0.693 nan 8.250 nan 0.000 0.458 417 C N 1.971 121.023 119.300 -0.413 0.000 2.396 417 C HA 0.678 5.138 4.460 0.000 0.000 0.321 417 C C -0.833 173.930 174.990 -0.379 0.000 1.233 417 C CA -0.270 58.449 59.018 -0.499 0.000 1.440 417 C CB 0.197 27.345 27.740 -0.985 0.000 2.110 417 C HN 0.598 nan 8.230 nan 0.000 0.473 418 V N 5.137 124.965 119.914 -0.142 0.000 2.604 418 V HA 0.801 4.921 4.120 0.000 0.000 0.305 418 V C -0.605 175.508 176.094 0.033 0.000 1.043 418 V CA -0.633 61.651 62.300 -0.026 0.000 0.888 418 V CB 1.620 33.438 31.823 -0.007 0.000 0.995 418 V HN 0.944 nan 8.190 nan 0.000 0.429 419 M N 3.933 123.585 119.600 0.086 0.000 2.446 419 M HA 0.628 5.109 4.480 0.000 0.000 0.294 419 M C -0.946 175.404 176.300 0.083 0.000 1.158 419 M CA -0.504 54.845 55.300 0.082 0.000 0.899 419 M CB 2.898 35.559 32.600 0.102 0.000 1.687 419 M HN 0.841 nan 8.290 nan 0.000 0.455 420 K N 3.289 123.735 120.400 0.076 0.000 2.482 420 K HA 0.664 4.984 4.320 0.000 0.000 0.251 420 K C -1.991 174.637 176.600 0.046 0.000 0.936 420 K CA -0.533 55.810 56.287 0.094 0.000 0.791 420 K CB 2.497 35.085 32.500 0.148 0.000 1.213 420 K HN 0.897 nan 8.250 nan 0.000 0.428 421 M N 5.376 125.000 119.600 0.041 0.000 2.181 421 M HA 0.322 4.802 4.480 0.000 0.000 0.323 421 M C -1.649 174.673 176.300 0.037 0.000 1.004 421 M CA -0.822 54.457 55.300 -0.034 0.000 0.941 421 M CB 1.578 34.116 32.600 -0.103 0.000 1.579 421 M HN 0.332 nan 8.290 nan 0.000 0.427 422 V N 5.154 125.070 119.914 0.003 0.000 2.350 422 V HA 0.401 4.521 4.120 0.000 0.000 0.276 422 V C -0.460 175.623 176.094 -0.019 0.000 1.028 422 V CA -0.542 61.776 62.300 0.031 0.000 0.860 422 V CB 0.969 32.847 31.823 0.092 0.000 0.990 422 V HN 0.975 nan 8.190 nan 0.000 0.453 423 C N 4.106 123.396 119.300 -0.015 0.000 2.435 423 C HA 0.944 5.404 4.460 0.000 0.000 0.333 423 C C 0.572 175.482 174.990 -0.134 0.000 1.202 423 C CA -0.668 58.313 59.018 -0.061 0.000 1.830 423 C CB 1.131 28.883 27.740 0.021 0.000 2.326 423 C HN 0.982 nan 8.230 nan 0.000 0.507 424 A N 2.943 125.614 122.820 -0.248 0.000 2.401 424 A HA 0.836 5.156 4.320 0.000 0.000 0.310 424 A C -0.301 177.091 177.584 -0.319 0.000 1.075 424 A CA -0.327 51.444 52.037 -0.444 0.000 0.746 424 A CB 0.450 18.772 19.000 -1.131 0.000 1.277 424 A HN 1.143 nan 8.150 nan 0.000 0.425 425 N N -0.312 118.241 118.700 -0.243 0.000 6.481 425 N HA -0.204 4.536 4.740 0.000 0.000 0.407 425 N C 0.737 176.202 175.510 -0.075 0.000 0.969 425 N CA 0.833 53.808 53.050 -0.126 0.000 1.867 425 N CB -0.146 38.267 38.487 -0.123 0.000 0.742 425 N HN 0.862 nan 8.380 nan 0.000 0.489 426 K N 1.436 121.810 120.400 -0.042 0.000 2.103 426 K HA -0.206 4.114 4.320 0.000 0.000 0.207 426 K C 1.699 178.287 176.600 -0.020 0.000 1.048 426 K CA 2.065 58.338 56.287 -0.023 0.000 0.930 426 K CB -0.100 32.393 32.500 -0.012 0.000 0.716 426 K HN 0.583 nan 8.250 nan 0.000 0.444 427 E N 0.486 120.669 120.200 -0.028 0.000 2.482 427 E HA -0.106 4.244 4.350 0.000 0.000 0.196 427 E C -0.661 175.922 176.600 -0.029 0.000 1.047 427 E CA 0.385 56.772 56.400 -0.022 0.000 0.869 427 E CB -0.115 29.573 29.700 -0.019 0.000 0.836 427 E HN 0.223 nan 8.360 nan 0.000 0.520 428 E N 1.176 121.350 120.200 -0.044 0.000 2.271 428 E HA -0.215 4.135 4.350 0.000 0.000 0.223 428 E C -0.581 175.974 176.600 -0.075 0.000 1.223 428 E CA 0.434 56.807 56.400 -0.045 0.000 0.704 428 E CB -1.152 28.552 29.700 0.006 0.000 1.194 428 E HN 0.356 nan 8.360 nan 0.000 0.375 429 K N 0.998 121.337 120.400 -0.101 0.000 2.451 429 K HA 0.139 4.459 4.320 0.000 0.000 0.280 429 K C 0.001 176.533 176.600 -0.115 0.000 1.020 429 K CA -0.162 56.070 56.287 -0.092 0.000 1.008 429 K CB 0.733 33.173 32.500 -0.098 0.000 0.917 429 K HN -0.009 nan 8.250 nan 0.000 0.478 430 V N 6.741 126.591 119.914 -0.107 0.000 2.397 430 V HA -0.020 4.100 4.120 0.000 0.000 0.262 430 V C 1.020 177.072 176.094 -0.072 0.000 1.047 430 V CA -0.115 62.095 62.300 -0.150 0.000 1.003 430 V CB 0.625 32.282 31.823 -0.277 0.000 1.037 430 V HN 0.757 nan 8.190 nan 0.000 0.480 431 V N 2.006 121.885 119.914 -0.057 0.000 3.621 431 V HA 0.679 4.799 4.120 0.000 0.000 0.285 431 V C 0.738 176.841 176.094 0.015 0.000 1.346 431 V CA 0.610 62.917 62.300 0.012 0.000 1.104 431 V CB 0.107 31.977 31.823 0.077 0.000 0.913 431 V HN 0.810 nan 8.190 nan 0.000 0.432 432 G N 0.440 109.208 108.800 -0.052 0.000 2.733 432 G HA2 0.618 4.578 3.960 0.000 0.000 0.297 432 G HA3 0.618 4.578 3.960 0.000 0.000 0.297 432 G C -1.742 172.948 174.900 -0.349 0.000 1.452 432 G CA -0.457 44.552 45.100 -0.152 0.000 0.940 432 G HN 0.031 nan 8.290 nan 0.000 0.547 433 I N 2.535 122.745 120.570 -0.601 0.000 2.499 433 I HA 0.460 4.630 4.170 0.000 0.000 0.288 433 I C -1.040 174.647 176.117 -0.716 0.000 1.048 433 I CA -0.759 60.250 61.300 -0.485 0.000 1.062 433 I CB 2.015 39.882 38.000 -0.221 0.000 1.238 433 I HN 0.500 nan 8.210 nan 0.000 0.426 434 H N 7.419 126.483 119.070 -0.011 0.000 2.759 434 H HA 0.735 5.291 4.556 -0.000 0.000 0.354 434 H C -0.538 174.794 175.328 0.006 0.000 1.074 434 H CA -0.617 55.438 56.048 0.012 0.000 1.226 434 H CB 2.747 32.527 29.762 0.029 0.000 1.648 434 H HN 0.617 nan 8.280 nan 0.000 0.529 435 M N 1.017 120.681 119.600 0.106 0.000 2.603 435 M HA 0.486 4.966 4.480 0.000 0.000 0.275 435 M C -1.931 174.388 176.300 0.031 0.000 1.226 435 M CA -0.881 54.452 55.300 0.055 0.000 0.870 435 M CB 3.588 36.202 32.600 0.023 0.000 1.716 435 M HN 0.457 nan 8.290 nan 0.000 0.482 436 Q N 0.835 120.640 119.800 0.007 0.000 2.289 436 Q HA 0.800 5.140 4.340 0.000 0.000 0.270 436 Q C -1.255 174.731 176.000 -0.024 0.000 1.038 436 Q CA -0.165 55.631 55.803 -0.012 0.000 0.812 436 Q CB 2.796 31.520 28.738 -0.023 0.000 1.300 436 Q HN 1.261 nan 8.270 nan 0.000 0.427 437 G N 1.776 110.576 108.800 0.000 0.000 2.339 437 G HA2 0.150 4.110 3.960 0.000 0.000 0.302 437 G HA3 0.150 4.110 3.960 0.000 0.000 0.302 437 G C -1.539 173.400 174.900 0.065 0.000 1.425 437 G CA -1.112 43.990 45.100 0.003 0.000 0.899 437 G HN 0.604 nan 8.290 nan 0.000 0.619 438 L N 1.169 122.444 121.223 0.087 0.000 2.578 438 L HA 0.309 4.649 4.340 0.000 0.000 0.279 438 L C 1.833 178.783 176.870 0.133 0.000 1.227 438 L CA 1.669 56.582 54.840 0.121 0.000 0.900 438 L CB 0.306 42.432 42.059 0.111 0.000 1.144 438 L HN 2.033 nan 8.230 nan 0.000 0.496 439 G N 1.645 110.539 108.800 0.156 0.000 2.205 439 G HA2 -0.307 3.653 3.960 0.000 0.000 0.261 439 G HA3 -0.307 3.653 3.960 0.000 0.000 0.261 439 G C 0.877 175.857 174.900 0.133 0.000 0.980 439 G CA 0.262 45.450 45.100 0.147 0.000 0.632 439 G HN 0.736 nan 8.290 nan 0.000 0.533 440 C N 1.962 121.328 119.300 0.111 0.000 2.419 440 C HA 0.022 4.482 4.460 0.000 0.000 0.283 440 C C 2.694 177.706 174.990 0.036 0.000 1.373 440 C CA 1.322 60.384 59.018 0.074 0.000 1.781 440 C CB -0.773 26.990 27.740 0.039 0.000 1.886 440 C HN 0.782 nan 8.230 nan 0.000 0.520 441 D N 0.920 121.340 120.400 0.033 0.000 2.178 441 D HA -0.151 4.489 4.640 0.000 0.000 0.201 441 D C 1.481 177.807 176.300 0.043 0.000 0.980 441 D CA 1.293 55.273 54.000 -0.035 0.000 0.842 441 D CB -0.513 40.297 40.800 0.016 0.000 0.948 441 D HN 0.444 nan 8.370 nan 0.000 0.472 442 E N -0.556 119.701 120.200 0.095 0.000 2.481 442 E HA 0.121 4.471 4.350 0.000 0.000 0.198 442 E C 1.789 178.440 176.600 0.086 0.000 1.027 442 E CA -0.170 56.284 56.400 0.089 0.000 0.900 442 E CB 0.355 30.113 29.700 0.097 0.000 0.993 442 E HN 0.391 nan 8.360 nan 0.000 0.482 443 M N 0.249 119.917 119.600 0.114 0.000 2.435 443 M HA -0.016 4.464 4.480 0.000 0.000 0.265 443 M C 1.873 178.324 176.300 0.252 0.000 1.104 443 M CA 0.502 55.910 55.300 0.179 0.000 1.140 443 M CB 0.226 32.953 32.600 0.211 0.000 1.372 443 M HN 0.102 nan 8.290 nan 0.000 0.456 444 L N 0.814 122.143 121.223 0.176 0.000 2.056 444 L HA -0.172 4.168 4.340 0.000 0.000 0.207 444 L C 2.279 179.235 176.870 0.144 0.000 1.078 444 L CA 1.891 56.844 54.840 0.190 0.000 0.749 444 L CB -0.785 41.320 42.059 0.076 0.000 0.901 444 L HN 0.333 nan 8.230 nan 0.000 0.433 445 Q N -0.229 119.609 119.800 0.062 0.000 2.096 445 Q HA -0.194 4.146 4.340 0.000 0.000 0.208 445 Q C 2.106 178.094 176.000 -0.020 0.000 0.993 445 Q CA 2.415 58.229 55.803 0.017 0.000 0.862 445 Q CB -1.004 27.734 28.738 -0.000 0.000 0.915 445 Q HN 0.562 nan 8.270 nan 0.000 0.416 446 G N -1.286 107.458 108.800 -0.093 0.000 2.418 446 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 446 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 446 G C 1.018 175.758 174.900 -0.267 0.000 1.158 446 G CA 0.790 45.751 45.100 -0.233 0.000 0.771 446 G HN 0.396 nan 8.290 nan 0.000 0.545 447 F N 1.721 121.648 119.950 -0.039 0.000 2.234 447 F HA 0.121 4.648 4.527 0.000 0.000 0.299 447 F C 2.947 178.766 175.800 0.032 0.000 1.087 447 F CA 0.647 58.640 58.000 -0.011 0.000 1.340 447 F CB -0.311 38.725 39.000 0.062 0.000 1.031 447 F HN 0.240 nan 8.300 nan 0.000 0.500 448 A N -0.222 122.694 122.820 0.160 0.000 1.930 448 A HA -0.094 4.226 4.320 0.000 0.000 0.217 448 A C 2.363 179.978 177.584 0.052 0.000 1.175 448 A CA 1.646 53.738 52.037 0.092 0.000 0.627 448 A CB -1.137 17.892 19.000 0.048 0.000 0.815 448 A HN 0.167 nan 8.150 nan 0.000 0.443 449 V N -0.116 119.804 119.914 0.011 0.000 2.343 449 V HA -0.258 3.862 4.120 0.000 0.000 0.247 449 V C 3.043 179.140 176.094 0.005 0.000 1.051 449 V CA 1.948 64.241 62.300 -0.012 0.000 1.036 449 V CB -1.196 30.596 31.823 -0.052 0.000 0.654 449 V HN 0.608 nan 8.190 nan 0.000 0.451 450 A N -0.378 122.447 122.820 0.009 0.000 1.933 450 A HA -0.140 4.180 4.320 0.000 0.000 0.218 450 A C 2.378 180.045 177.584 0.137 0.000 1.175 450 A CA 1.955 54.020 52.037 0.047 0.000 0.628 450 A CB -0.603 18.393 19.000 -0.008 0.000 0.814 450 A HN 0.338 nan 8.150 nan 0.000 0.444 451 V N 0.059 120.074 119.914 0.168 0.000 2.358 451 V HA -0.201 3.919 4.120 0.000 0.000 0.246 451 V C 2.529 178.671 176.094 0.080 0.000 1.047 451 V CA 2.313 64.697 62.300 0.141 0.000 1.035 451 V CB -0.546 31.348 31.823 0.120 0.000 0.658 451 V HN 0.576 nan 8.190 nan 0.000 0.452 452 K N 0.132 120.566 120.400 0.057 0.000 2.209 452 K HA -0.057 4.263 4.320 0.000 0.000 0.204 452 K C 1.835 178.455 176.600 0.032 0.000 1.048 452 K CA 1.583 57.890 56.287 0.034 0.000 0.940 452 K CB -0.319 32.191 32.500 0.016 0.000 0.729 452 K HN 0.420 nan 8.250 nan 0.000 0.451 453 M N -1.157 118.466 119.600 0.038 0.000 2.618 453 M HA 0.138 4.618 4.480 0.000 0.000 0.240 453 M C 0.654 176.979 176.300 0.043 0.000 1.123 453 M CA 0.753 56.072 55.300 0.032 0.000 1.060 453 M CB 0.424 33.039 32.600 0.024 0.000 1.535 453 M HN 0.354 nan 8.290 nan 0.000 0.507 454 G N 1.372 110.206 108.800 0.056 0.000 2.182 454 G HA2 -0.173 3.787 3.960 0.000 0.000 0.248 454 G HA3 -0.173 3.787 3.960 0.000 0.000 0.248 454 G C 0.119 175.059 174.900 0.067 0.000 1.042 454 G CA -0.010 45.122 45.100 0.053 0.000 0.775 454 G HN 0.699 nan 8.290 nan 0.000 0.501 455 A N -0.007 122.880 122.820 0.113 0.000 2.520 455 A HA 0.678 4.998 4.320 0.000 0.000 0.235 455 A C 1.120 178.776 177.584 0.120 0.000 1.065 455 A CA 1.381 53.518 52.037 0.167 0.000 0.764 455 A CB 0.247 19.452 19.000 0.342 0.000 1.002 455 A HN 1.934 nan 8.150 nan 0.000 0.502 456 T N -0.871 113.746 114.554 0.105 0.000 2.937 456 T HA 0.424 4.774 4.350 0.000 0.000 0.283 456 T C 0.956 175.664 174.700 0.013 0.000 1.012 456 T CA -0.257 61.856 62.100 0.022 0.000 0.997 456 T CB 1.260 70.136 68.868 0.014 0.000 1.136 456 T HN 0.642 nan 8.240 nan 0.000 0.551 457 K N 0.017 120.364 120.400 -0.090 0.000 2.147 457 K HA -0.036 4.284 4.320 0.000 0.000 0.205 457 K C 2.351 178.947 176.600 -0.007 0.000 1.049 457 K CA 1.204 57.399 56.287 -0.154 0.000 0.936 457 K CB -0.807 31.553 32.500 -0.234 0.000 0.722 457 K HN 0.690 nan 8.250 nan 0.000 0.446 458 A N 1.633 124.460 122.820 0.013 0.000 1.908 458 A HA -0.214 4.106 4.320 0.000 0.000 0.218 458 A C 1.654 179.288 177.584 0.084 0.000 1.181 458 A CA 2.000 54.057 52.037 0.032 0.000 0.627 458 A CB -0.550 18.462 19.000 0.021 0.000 0.818 458 A HN 0.391 nan 8.150 nan 0.000 0.445 459 D N -0.937 119.542 120.400 0.132 0.000 2.149 459 D HA -0.137 4.503 4.640 0.000 0.000 0.198 459 D C 1.617 178.026 176.300 0.181 0.000 0.990 459 D CA 1.176 55.263 54.000 0.144 0.000 0.839 459 D CB -0.344 40.556 40.800 0.167 0.000 0.948 459 D HN 0.450 nan 8.370 nan 0.000 0.460 460 F N 1.721 121.673 119.950 0.003 0.000 2.113 460 F HA -0.110 4.417 4.527 0.000 0.000 0.297 460 F C 2.203 178.003 175.800 0.001 0.000 1.103 460 F CA 0.909 58.925 58.000 0.026 0.000 1.248 460 F CB -0.493 38.516 39.000 0.015 0.000 0.999 460 F HN -0.143 nan 8.300 nan 0.000 0.475 461 D N -0.379 120.124 120.400 0.171 0.000 2.218 461 D HA -0.134 4.506 4.640 0.000 0.000 0.204 461 D C 1.615 177.938 176.300 0.039 0.000 0.976 461 D CA 0.839 54.877 54.000 0.065 0.000 0.853 461 D CB -0.493 40.312 40.800 0.008 0.000 0.939 461 D HN 0.241 nan 8.370 nan 0.000 0.481 462 N N 0.007 118.731 118.700 0.040 0.000 2.515 462 N HA -0.034 4.706 4.740 0.000 0.000 0.185 462 N C -0.029 175.482 175.510 0.001 0.000 1.109 462 N CA 0.405 53.465 53.050 0.016 0.000 0.903 462 N CB 0.179 38.675 38.487 0.015 0.000 0.969 462 N HN 0.069 nan 8.380 nan 0.000 0.450 463 T N 1.187 115.740 114.554 -0.001 0.000 2.771 463 T HA 0.272 4.622 4.350 0.000 0.000 0.291 463 T C 0.508 175.201 174.700 -0.012 0.000 0.954 463 T CA -0.478 61.605 62.100 -0.028 0.000 1.045 463 T CB 2.028 70.852 68.868 -0.074 0.000 0.917 463 T HN -0.252 nan 8.240 nan 0.000 0.484 464 V N 3.276 123.181 119.914 -0.016 0.000 2.655 464 V HA 0.344 4.464 4.120 0.000 0.000 0.300 464 V C 0.976 177.070 176.094 0.000 0.000 1.044 464 V CA -0.623 61.672 62.300 -0.008 0.000 1.095 464 V CB 0.357 32.174 31.823 -0.010 0.000 0.952 464 V HN 1.094 nan 8.190 nan 0.000 0.485 465 A N 6.082 128.909 122.820 0.011 0.000 2.386 465 A HA 0.603 4.923 4.320 0.000 0.000 0.248 465 A C -0.235 177.376 177.584 0.045 0.000 1.082 465 A CA -0.287 51.769 52.037 0.032 0.000 0.789 465 A CB 0.055 19.071 19.000 0.027 0.000 1.025 465 A HN 0.750 nan 8.150 nan 0.000 0.490 466 I N 1.427 122.037 120.570 0.066 0.000 2.330 466 I HA 0.273 4.443 4.170 0.000 0.000 0.289 466 I C -0.296 175.898 176.117 0.128 0.000 1.001 466 I CA -0.146 61.198 61.300 0.074 0.000 1.193 466 I CB 1.149 39.177 38.000 0.047 0.000 1.345 466 I HN 0.790 nan 8.210 nan 0.000 0.461 467 H N 7.517 126.592 119.070 0.010 0.000 2.495 467 H HA 0.635 5.191 4.556 0.000 0.000 0.348 467 H C -2.544 172.794 175.328 0.016 0.000 1.113 467 H CA -1.807 54.248 56.048 0.010 0.000 1.195 467 H CB 1.702 31.466 29.762 0.003 0.000 1.521 467 H HN 0.310 nan 8.280 nan 0.000 0.509 468 P HA 0.335 nan 4.420 nan 0.000 0.304 468 P C -1.344 175.878 177.300 -0.130 0.000 1.366 468 P CA -0.669 62.099 63.100 -0.554 0.000 0.859 468 P CB 1.616 32.889 31.700 -0.711 0.000 0.961 469 T N -2.119 112.434 114.554 -0.002 0.000 2.816 469 T HA 0.387 4.737 4.350 0.000 0.000 0.299 469 T C 0.664 175.428 174.700 0.106 0.000 1.230 469 T CA -0.505 61.632 62.100 0.062 0.000 1.007 469 T CB 1.157 70.070 68.868 0.075 0.000 1.289 469 T HN -0.047 nan 8.240 nan 0.000 0.508 470 S N 0.495 116.300 115.700 0.174 0.000 2.425 470 S HA -0.021 4.449 4.470 0.000 0.000 0.225 470 S C 2.308 177.040 174.600 0.220 0.000 1.024 470 S CA 1.101 59.468 58.200 0.277 0.000 0.951 470 S CB -0.502 62.935 63.200 0.394 0.000 0.796 470 S HN 0.936 nan 8.310 nan 0.000 0.498 471 S N 2.703 118.519 115.700 0.195 0.000 2.419 471 S HA -0.214 4.256 4.470 0.000 0.000 0.235 471 S C 1.722 176.442 174.600 0.201 0.000 1.019 471 S CA 1.315 59.650 58.200 0.225 0.000 0.982 471 S CB -0.649 62.704 63.200 0.254 0.000 0.789 471 S HN 0.799 nan 8.310 nan 0.000 0.490 472 E N 1.130 121.412 120.200 0.137 0.000 2.265 472 E HA -0.166 4.184 4.350 0.000 0.000 0.196 472 E C 1.503 178.140 176.600 0.061 0.000 0.996 472 E CA 1.039 57.502 56.400 0.105 0.000 0.832 472 E CB -0.328 29.426 29.700 0.090 0.000 0.756 472 E HN 0.452 nan 8.360 nan 0.000 0.491 473 E N 1.071 121.282 120.200 0.018 0.000 2.204 473 E HA -0.102 4.248 4.350 0.000 0.000 0.195 473 E C 2.109 178.724 176.600 0.024 0.000 0.990 473 E CA 0.635 57.015 56.400 -0.032 0.000 0.821 473 E CB -0.139 29.494 29.700 -0.113 0.000 0.750 473 E HN 0.457 nan 8.360 nan 0.000 0.477 474 L N 0.613 121.862 121.223 0.043 0.000 2.376 474 L HA -0.067 4.273 4.340 0.000 0.000 0.219 474 L C 1.977 178.941 176.870 0.156 0.000 1.133 474 L CA 0.535 55.380 54.840 0.009 0.000 0.816 474 L CB 0.040 41.937 42.059 -0.270 0.000 0.933 474 L HN 0.028 nan 8.230 nan 0.000 0.449 475 V N -5.095 114.918 119.914 0.166 0.000 3.483 475 V HA 0.143 4.263 4.120 0.000 0.000 0.301 475 V C 1.107 177.247 176.094 0.077 0.000 1.389 475 V CA 0.587 62.995 62.300 0.181 0.000 1.101 475 V CB -0.221 31.692 31.823 0.149 0.000 0.971 475 V HN 0.398 nan 8.190 nan 0.000 0.434 476 T N -1.902 112.672 114.554 0.033 0.000 3.442 476 T HA 0.487 4.837 4.350 0.000 0.000 0.295 476 T C -0.016 174.668 174.700 -0.026 0.000 1.007 476 T CA -0.268 61.828 62.100 -0.007 0.000 0.962 476 T CB -0.346 68.512 68.868 -0.017 0.000 1.187 476 T HN 0.295 nan 8.240 nan 0.000 0.490 477 L N 1.644 122.838 121.223 -0.048 0.000 2.397 477 L HA 0.599 4.939 4.340 0.000 0.000 0.271 477 L C 0.639 177.460 176.870 -0.083 0.000 1.148 477 L CA -0.521 54.288 54.840 -0.051 0.000 0.825 477 L CB 0.872 42.881 42.059 -0.084 0.000 1.117 477 L HN 0.267 nan 8.230 nan 0.000 0.456 478 R N 0.000 120.524 120.500 0.041 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.156 56.100 0.093 0.000 0.921 478 R CB 0.000 30.330 30.300 0.051 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535