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 1ofl_1_A DATA FIRST_RESID 27 DATA SEQUENCE VVASNETLYQ VVKEVKPGGL VQIADGTYKD VQLIVSNSGK SGLPITIKAL DATA SEQUENCE NPGKVFFTGD AKVELRGEHL ILEGIWFKDG NRAIQAWKSH GPGLVAIYGS DATA SEQUENCE YNRITACVFD CFDEANSAYI TTSLTEDGKV PQHCRIDHCS FTDKITFDQV DATA SEQUENCE INLNNTARAI KDGSVGGPAM YHRVDHCFFS NPQKPGNAGG GIRIGYYRND DATA SEQUENCE IGRCLVDSNL FMRQDSEAEI ITSKSQENVY YGNTYLNCQG TMNFRHGDHQ DATA SEQUENCE VAINNFYIGN DQRFGYGGMF VWGSRHVIAC NYFELSETIK SRGNAALYLN DATA SEQUENCE PGAMASEHAL AFDMLIANNA FINVNGYAIH FNPLDERRKE YCAANRLKFE DATA SEQUENCE TPHQLMLKGN LFFKDKPYVY PFFKDDYFIA GKNSWTGNVA LGVEKGIPVN DATA SEQUENCE ISANRSAYKP VKIKDIQPIE GIALDLNALI SKGITGKPLS WDEVRPYWLK DATA SEQUENCE EMPGTYALTA RLSADRAAKF KAVIKRNKEH 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 27 V HA 0.000 nan 4.120 nan 0.000 0.244 27 V C 0.000 176.092 176.094 -0.003 0.000 1.182 27 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 27 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 28 V N 1.320 121.231 119.914 -0.006 0.000 2.680 28 V HA 1.036 5.151 4.120 -0.008 0.000 0.309 28 V C 0.405 176.533 176.094 0.057 0.000 1.052 28 V CA 0.256 62.561 62.300 0.008 0.000 0.908 28 V CB 2.000 33.814 31.823 -0.015 0.000 1.001 28 V HN 1.472 nan 8.190 nan 0.000 0.431 29 A N 2.750 125.627 122.820 0.095 0.000 2.585 29 A HA 0.762 5.077 4.320 -0.008 0.000 0.266 29 A C 0.677 178.371 177.584 0.183 0.000 1.178 29 A CA 0.475 52.613 52.037 0.168 0.000 0.966 29 A CB -0.203 18.838 19.000 0.069 0.000 1.170 29 A HN 1.690 nan 8.150 nan 0.000 0.558 30 S N -1.685 114.124 115.700 0.181 0.000 2.607 30 S HA 0.403 4.868 4.470 -0.008 0.000 0.273 30 S C 0.194 174.812 174.600 0.031 0.000 1.148 30 S CA -0.558 57.690 58.200 0.080 0.000 0.833 30 S CB 0.775 63.952 63.200 -0.039 0.000 1.130 30 S HN -0.009 nan 8.310 nan 0.000 0.470 31 N N 1.441 120.084 118.700 -0.095 0.000 2.061 31 N HA -0.118 4.617 4.740 -0.008 0.000 0.193 31 N C 1.447 176.392 175.510 -0.942 0.000 1.030 31 N CA 1.783 54.534 53.050 -0.498 0.000 0.856 31 N CB -0.513 37.735 38.487 -0.397 0.000 1.023 31 N HN 0.674 nan 8.380 nan 0.000 0.424 32 E N -0.050 119.867 120.200 -0.472 0.000 2.077 32 E HA -0.109 4.237 4.350 -0.008 0.000 0.193 32 E C 2.042 178.549 176.600 -0.154 0.000 0.989 32 E CA 1.554 57.795 56.400 -0.265 0.000 0.800 32 E CB -0.608 29.059 29.700 -0.054 0.000 0.746 32 E HN 0.644 nan 8.360 nan 0.000 0.452 33 T N -0.016 114.466 114.554 -0.121 0.000 2.821 33 T HA -0.129 4.217 4.350 -0.008 0.000 0.267 33 T C 2.066 176.738 174.700 -0.047 0.000 1.046 33 T CA 0.993 63.064 62.100 -0.050 0.000 1.139 33 T CB -0.417 68.439 68.868 -0.020 0.000 0.871 33 T HN 0.060 nan 8.240 nan 0.000 0.454 34 L N 0.393 121.546 121.223 -0.117 0.000 2.012 34 L HA -0.050 4.286 4.340 -0.008 0.000 0.210 34 L C 2.361 179.266 176.870 0.058 0.000 1.073 34 L CA 1.742 56.537 54.840 -0.075 0.000 0.748 34 L CB -1.131 40.831 42.059 -0.162 0.000 0.891 34 L HN 0.194 nan 8.230 nan 0.000 0.431 35 Y N -0.225 120.088 120.300 0.020 0.000 2.151 35 Y HA -0.283 4.263 4.550 -0.007 0.000 0.284 35 Y C 2.869 178.785 175.900 0.026 0.000 1.166 35 Y CA 1.571 59.686 58.100 0.024 0.000 1.163 35 Y CB -1.360 37.115 38.460 0.025 0.000 0.974 35 Y HN 0.390 nan 8.280 nan 0.000 0.511 36 Q N 0.343 120.248 119.800 0.175 0.000 2.046 36 Q HA -0.097 4.239 4.340 -0.008 0.000 0.200 36 Q C 2.225 178.272 176.000 0.078 0.000 0.975 36 Q CA 1.895 57.761 55.803 0.107 0.000 0.836 36 Q CB -0.572 28.209 28.738 0.072 0.000 0.896 36 Q HN 0.284 nan 8.270 nan 0.000 0.428 37 V N 0.586 120.538 119.914 0.064 0.000 2.515 37 V HA -0.191 3.924 4.120 -0.008 0.000 0.250 37 V C 2.329 178.458 176.094 0.059 0.000 1.058 37 V CA 1.466 63.795 62.300 0.048 0.000 1.064 37 V CB -0.826 31.015 31.823 0.030 0.000 0.675 37 V HN 0.529 nan 8.190 nan 0.000 0.461 38 V N -1.501 118.462 119.914 0.081 0.000 2.759 38 V HA -0.148 3.968 4.120 -0.008 0.000 0.256 38 V C 2.150 178.290 176.094 0.077 0.000 1.080 38 V CA 1.702 64.054 62.300 0.086 0.000 1.101 38 V CB -0.852 31.039 31.823 0.112 0.000 0.698 38 V HN 0.491 nan 8.190 nan 0.000 0.477 39 K N 0.557 121.003 120.400 0.076 0.000 2.288 39 K HA -0.044 4.271 4.320 -0.008 0.000 0.201 39 K C 1.921 178.549 176.600 0.048 0.000 1.048 39 K CA 1.788 58.111 56.287 0.059 0.000 0.956 39 K CB -0.056 32.479 32.500 0.058 0.000 0.746 39 K HN 0.717 nan 8.250 nan 0.000 0.461 40 E N 0.158 120.386 120.200 0.046 0.000 2.473 40 E HA 0.036 4.381 4.350 -0.008 0.000 0.204 40 E C 0.069 176.689 176.600 0.034 0.000 0.994 40 E CA -0.201 56.221 56.400 0.036 0.000 0.945 40 E CB 0.739 30.458 29.700 0.031 0.000 0.990 40 E HN -0.070 nan 8.360 nan 0.000 0.493 41 V N 2.091 122.028 119.914 0.039 0.000 2.740 41 V HA 0.014 4.129 4.120 -0.008 0.000 0.303 41 V C -0.198 175.916 176.094 0.033 0.000 1.054 41 V CA 0.253 62.574 62.300 0.035 0.000 1.106 41 V CB 0.806 32.654 31.823 0.041 0.000 0.957 41 V HN 0.043 nan 8.190 nan 0.000 0.486 42 K N 5.699 126.114 120.400 0.025 0.000 2.185 42 K HA 0.507 4.823 4.320 -0.008 0.000 0.240 42 K C -2.575 174.037 176.600 0.019 0.000 0.983 42 K CA -1.848 54.452 56.287 0.021 0.000 0.873 42 K CB 1.312 33.820 32.500 0.012 0.000 1.118 42 K HN 0.436 nan 8.250 nan 0.000 0.441 43 P HA -0.107 nan 4.420 nan 0.000 0.263 43 P C 0.426 177.725 177.300 -0.002 0.000 1.175 43 P CA 1.202 64.304 63.100 0.004 0.000 0.761 43 P CB 0.290 31.980 31.700 -0.017 0.000 0.794 44 G N 1.701 110.500 108.800 -0.000 0.000 2.179 44 G HA2 -0.175 3.780 3.960 -0.008 0.000 0.260 44 G HA3 -0.175 3.780 3.960 -0.008 0.000 0.260 44 G C 0.650 175.552 174.900 0.004 0.000 0.977 44 G CA -0.163 44.935 45.100 -0.004 0.000 0.641 44 G HN 0.897 nan 8.290 nan 0.000 0.533 45 G N -0.678 108.129 108.800 0.012 0.000 2.606 45 G HA2 0.611 4.567 3.960 -0.008 0.000 0.252 45 G HA3 0.611 4.567 3.960 -0.008 0.000 0.252 45 G C -0.478 174.431 174.900 0.014 0.000 1.206 45 G CA 0.269 45.377 45.100 0.013 0.000 0.861 45 G HN 1.276 nan 8.290 nan 0.000 0.561 46 L N 1.465 122.693 121.223 0.009 0.000 2.441 46 L HA 0.574 4.909 4.340 -0.008 0.000 0.270 46 L C -0.859 176.011 176.870 0.001 0.000 0.973 46 L CA -0.712 54.130 54.840 0.004 0.000 0.842 46 L CB 2.093 44.149 42.059 -0.005 0.000 1.239 46 L HN 0.277 nan 8.230 nan 0.000 0.406 47 V N 5.262 125.178 119.914 0.002 0.000 2.347 47 V HA 0.514 4.629 4.120 -0.008 0.000 0.280 47 V C -0.181 175.898 176.094 -0.025 0.000 1.021 47 V CA -0.399 61.898 62.300 -0.004 0.000 0.847 47 V CB 1.376 33.205 31.823 0.011 0.000 0.990 47 V HN 0.782 nan 8.190 nan 0.000 0.444 48 Q N 4.419 124.198 119.800 -0.035 0.000 2.316 48 Q HA 0.611 4.947 4.340 -0.008 0.000 0.264 48 Q C -0.936 175.021 176.000 -0.072 0.000 0.987 48 Q CA -0.447 55.321 55.803 -0.057 0.000 0.852 48 Q CB 2.750 31.459 28.738 -0.047 0.000 1.287 48 Q HN 0.653 nan 8.270 nan 0.000 0.448 49 I N 2.269 122.769 120.570 -0.117 0.000 2.315 49 I HA 0.353 4.518 4.170 -0.008 0.000 0.291 49 I C 0.313 176.382 176.117 -0.081 0.000 1.006 49 I CA -0.619 60.587 61.300 -0.155 0.000 1.265 49 I CB 1.328 39.145 38.000 -0.305 0.000 1.387 49 I HN 0.630 nan 8.210 nan 0.000 0.475 50 A N 5.282 128.115 122.820 0.021 0.000 2.448 50 A HA 0.104 4.419 4.320 -0.008 0.000 0.239 50 A C -0.113 177.535 177.584 0.108 0.000 1.080 50 A CA -0.445 51.626 52.037 0.056 0.000 0.779 50 A CB 0.045 19.094 19.000 0.081 0.000 1.026 50 A HN 0.689 nan 8.150 nan 0.000 0.499 51 D N 0.262 120.684 120.400 0.037 0.000 2.525 51 D HA 0.420 5.056 4.640 -0.008 0.000 0.235 51 D C 0.671 177.024 176.300 0.089 0.000 1.137 51 D CA 2.174 56.191 54.000 0.029 0.000 0.868 51 D CB 0.470 41.266 40.800 -0.007 0.000 1.180 51 D HN 1.047 nan 8.370 nan 0.000 0.465 52 G N 0.680 109.555 108.800 0.125 0.000 2.359 52 G HA2 0.273 4.229 3.960 -0.008 0.000 0.293 52 G HA3 0.273 4.229 3.960 -0.008 0.000 0.293 52 G C -1.190 173.771 174.900 0.103 0.000 1.300 52 G CA -0.841 44.283 45.100 0.041 0.000 0.888 52 G HN 0.384 nan 8.290 nan 0.000 0.541 53 T N 0.573 115.054 114.554 -0.122 0.000 2.794 53 T HA 0.591 4.936 4.350 -0.008 0.000 0.280 53 T C -1.339 173.148 174.700 -0.355 0.000 0.987 53 T CA 0.048 62.145 62.100 -0.005 0.000 0.993 53 T CB 0.963 69.823 68.868 -0.013 0.000 0.939 53 T HN 0.374 nan 8.240 nan 0.000 0.449 54 Y N 2.404 122.755 120.300 0.085 0.000 2.712 54 Y HA 0.385 4.931 4.550 -0.008 0.000 0.328 54 Y C 0.503 176.372 175.900 -0.052 0.000 0.995 54 Y CA -0.901 57.166 58.100 -0.054 0.000 1.283 54 Y CB 0.776 39.118 38.460 -0.197 0.000 1.092 54 Y HN 0.399 nan 8.280 nan 0.000 0.519 55 K N 3.033 123.441 120.400 0.015 0.000 2.227 55 K HA 0.171 4.486 4.320 -0.008 0.000 0.280 55 K C -0.327 176.311 176.600 0.064 0.000 1.041 55 K CA -0.110 56.206 56.287 0.047 0.000 0.905 55 K CB 0.483 32.987 32.500 0.008 0.000 1.068 55 K HN 0.664 nan 8.250 nan 0.000 0.470 56 D N 0.916 121.382 120.400 0.110 0.000 2.981 56 D HA -0.174 4.461 4.640 -0.008 0.000 0.223 56 D C -0.121 176.267 176.300 0.146 0.000 1.151 56 D CA 0.623 54.705 54.000 0.137 0.000 0.827 56 D CB -1.569 39.300 40.800 0.114 0.000 1.101 56 D HN 0.308 nan 8.370 nan 0.000 0.426 57 V N 0.823 120.791 119.914 0.089 0.000 2.585 57 V HA -0.004 4.111 4.120 -0.008 0.000 0.296 57 V C 0.408 176.587 176.094 0.142 0.000 1.035 57 V CA 0.676 63.011 62.300 0.058 0.000 1.084 57 V CB 1.176 32.799 31.823 -0.332 0.000 0.953 57 V HN 0.029 nan 8.190 nan 0.000 0.483 58 Q N 6.313 126.260 119.800 0.245 0.000 2.644 58 Q HA 0.303 4.639 4.340 -0.008 0.000 0.245 58 Q C -0.880 175.143 176.000 0.038 0.000 1.064 58 Q CA -0.566 55.296 55.803 0.098 0.000 0.860 58 Q CB 1.388 30.108 28.738 -0.031 0.000 1.145 58 Q HN 0.674 nan 8.270 nan 0.000 0.515 59 L N 3.500 124.819 121.223 0.159 0.000 2.261 59 L HA 0.360 4.695 4.340 -0.008 0.000 0.289 59 L C -0.983 175.979 176.870 0.152 0.000 1.059 59 L CA -0.018 54.937 54.840 0.192 0.000 0.816 59 L CB 0.368 42.579 42.059 0.253 0.000 1.191 59 L HN 0.247 nan 8.230 nan 0.000 0.431 60 I N 6.964 127.583 120.570 0.082 0.000 2.410 60 I HA 0.294 4.459 4.170 -0.008 0.000 0.286 60 I C -0.522 175.647 176.117 0.086 0.000 1.009 60 I CA -0.555 60.791 61.300 0.077 0.000 1.111 60 I CB 1.593 39.597 38.000 0.007 0.000 1.262 60 I HN 0.190 nan 8.210 nan 0.000 0.443 61 V N 5.810 125.793 119.914 0.115 0.000 2.294 61 V HA 0.277 4.392 4.120 -0.008 0.000 0.272 61 V C 1.023 177.174 176.094 0.095 0.000 1.027 61 V CA -0.030 62.335 62.300 0.109 0.000 0.823 61 V CB 1.122 33.021 31.823 0.128 0.000 1.030 61 V HN 0.829 nan 8.190 nan 0.000 0.457 62 S N 2.917 118.660 115.700 0.071 0.000 2.483 62 S HA 0.099 4.564 4.470 -0.008 0.000 0.221 62 S C 0.995 175.634 174.600 0.066 0.000 1.030 62 S CA 0.008 58.243 58.200 0.059 0.000 0.925 62 S CB 0.030 63.250 63.200 0.034 0.000 0.795 62 S HN 0.777 nan 8.310 nan 0.000 0.511 63 N N 1.946 120.686 118.700 0.068 0.000 2.399 63 N HA 0.283 5.019 4.740 -0.008 0.000 0.250 63 N C -0.510 175.052 175.510 0.086 0.000 1.272 63 N CA 0.347 53.438 53.050 0.068 0.000 0.928 63 N CB 0.517 39.041 38.487 0.061 0.000 1.158 63 N HN 0.024 nan 8.380 nan 0.000 0.463 64 S N -1.170 114.583 115.700 0.088 0.000 2.536 64 S HA 0.718 5.183 4.470 -0.008 0.000 0.298 64 S C 0.532 175.196 174.600 0.107 0.000 1.083 64 S CA -0.911 57.360 58.200 0.119 0.000 0.995 64 S CB 1.814 65.096 63.200 0.138 0.000 1.058 64 S HN 0.611 nan 8.310 nan 0.000 0.488 65 G N 1.351 110.236 108.800 0.142 0.000 2.508 65 G HA2 0.571 4.526 3.960 -0.008 0.000 0.278 65 G HA3 0.571 4.526 3.960 -0.008 0.000 0.278 65 G C -0.788 174.123 174.900 0.019 0.000 1.389 65 G CA -0.435 44.718 45.100 0.089 0.000 1.050 65 G HN 0.558 nan 8.290 nan 0.000 0.522 66 K N -0.874 119.420 120.400 -0.175 0.000 2.443 66 K HA 0.413 4.729 4.320 -0.008 0.000 0.251 66 K C -0.554 175.566 176.600 -0.799 0.000 0.972 66 K CA -0.574 55.448 56.287 -0.441 0.000 0.833 66 K CB 2.113 34.482 32.500 -0.218 0.000 1.317 66 K HN 0.425 nan 8.250 nan 0.000 0.441 67 S N 0.593 115.706 115.700 -0.978 0.000 2.575 67 S HA 0.138 4.604 4.470 -0.008 0.000 0.295 67 S C 1.183 175.602 174.600 -0.301 0.000 1.267 67 S CA 0.826 58.646 58.200 -0.634 0.000 1.074 67 S CB 0.185 63.146 63.200 -0.397 0.000 0.829 67 S HN 0.960 nan 8.310 nan 0.000 0.497 68 G N 2.312 111.002 108.800 -0.183 0.000 2.189 68 G HA2 -0.257 3.699 3.960 -0.008 0.000 0.267 68 G HA3 -0.257 3.699 3.960 -0.008 0.000 0.267 68 G C 0.090 174.938 174.900 -0.086 0.000 0.975 68 G CA 0.201 45.240 45.100 -0.102 0.000 0.644 68 G HN 0.658 nan 8.290 nan 0.000 0.537 69 L N 1.817 122.970 121.223 -0.116 0.000 2.625 69 L HA 0.304 4.639 4.340 -0.008 0.000 0.255 69 L C -2.042 174.801 176.870 -0.045 0.000 1.493 69 L CA -1.770 53.028 54.840 -0.071 0.000 0.796 69 L CB 1.698 43.711 42.059 -0.076 0.000 1.064 69 L HN -0.005 nan 8.230 nan 0.000 0.516 70 P HA 0.136 nan 4.420 nan 0.000 0.272 70 P C -0.298 177.038 177.300 0.059 0.000 1.240 70 P CA -0.030 63.112 63.100 0.071 0.000 0.791 70 P CB 1.582 33.342 31.700 0.099 0.000 0.978 71 I N 0.800 121.420 120.570 0.083 0.000 2.336 71 I HA 0.212 4.378 4.170 -0.008 0.000 0.292 71 I C 0.455 176.613 176.117 0.068 0.000 0.991 71 I CA -0.142 61.197 61.300 0.066 0.000 1.227 71 I CB 1.269 39.314 38.000 0.074 0.000 1.366 71 I HN 0.162 nan 8.210 nan 0.000 0.466 72 T N 7.360 121.943 114.554 0.048 0.000 2.779 72 T HA 0.590 4.935 4.350 -0.008 0.000 0.280 72 T C -0.198 174.522 174.700 0.032 0.000 0.987 72 T CA -0.302 61.823 62.100 0.043 0.000 0.966 72 T CB 0.967 69.850 68.868 0.026 0.000 0.933 72 T HN 0.260 nan 8.240 nan 0.000 0.442 73 I N 4.670 125.262 120.570 0.036 0.000 2.382 73 I HA 0.474 4.639 4.170 -0.008 0.000 0.286 73 I C 0.011 176.117 176.117 -0.019 0.000 1.002 73 I CA -0.698 60.614 61.300 0.019 0.000 1.135 73 I CB 1.052 39.086 38.000 0.056 0.000 1.288 73 I HN 0.553 nan 8.210 nan 0.000 0.448 74 K N 4.900 125.266 120.400 -0.058 0.000 2.509 74 K HA 0.877 5.192 4.320 -0.008 0.000 0.266 74 K C -1.171 175.329 176.600 -0.166 0.000 0.987 74 K CA -0.965 55.258 56.287 -0.107 0.000 0.868 74 K CB 1.863 34.326 32.500 -0.061 0.000 1.421 74 K HN 0.412 nan 8.250 nan 0.000 0.444 75 A N 1.632 124.303 122.820 -0.249 0.000 2.477 75 A HA 0.168 4.483 4.320 -0.008 0.000 0.246 75 A C 0.875 178.343 177.584 -0.193 0.000 1.078 75 A CA -0.589 51.281 52.037 -0.279 0.000 0.770 75 A CB 0.191 18.938 19.000 -0.421 0.000 1.011 75 A HN 0.801 nan 8.150 nan 0.000 0.494 76 L N 1.968 123.101 121.223 -0.149 0.000 2.042 76 L HA -0.065 4.270 4.340 -0.008 0.000 0.210 76 L C 0.184 176.984 176.870 -0.117 0.000 1.076 76 L CA 1.726 56.503 54.840 -0.104 0.000 0.749 76 L CB -0.224 41.792 42.059 -0.073 0.000 0.893 76 L HN 0.707 nan 8.230 nan 0.000 0.432 77 N N 0.162 118.763 118.700 -0.166 0.000 2.682 77 N HA 0.323 5.059 4.740 -0.008 0.000 0.252 77 N C -2.636 172.661 175.510 -0.356 0.000 1.081 77 N CA -1.395 51.543 53.050 -0.186 0.000 0.844 77 N CB 1.211 39.619 38.487 -0.132 0.000 1.167 77 N HN 0.012 nan 8.380 nan 0.000 0.523 78 P HA 0.103 nan 4.420 nan 0.000 0.265 78 P C 1.031 177.628 177.300 -1.172 0.000 1.193 78 P CA 0.797 63.254 63.100 -1.073 0.000 0.765 78 P CB 0.631 31.500 31.700 -1.385 0.000 0.823 79 G N 2.532 110.490 108.800 -1.403 0.000 2.213 79 G HA2 -0.208 3.748 3.960 -0.008 0.000 0.236 79 G HA3 -0.208 3.748 3.960 -0.008 0.000 0.236 79 G C 0.834 175.439 174.900 -0.491 0.000 0.991 79 G CA -0.182 44.542 45.100 -0.628 0.000 0.629 79 G HN 0.500 nan 8.290 nan 0.000 0.517 80 K N -0.019 120.043 120.400 -0.563 0.000 2.374 80 K HA 0.486 4.802 4.320 -0.008 0.000 0.202 80 K C 0.325 176.588 176.600 -0.561 0.000 1.040 80 K CA 0.166 56.193 56.287 -0.434 0.000 1.085 80 K CB 1.782 34.164 32.500 -0.197 0.000 0.873 80 K HN 0.344 nan 8.250 nan 0.000 0.539 81 V N 2.318 121.758 119.914 -0.790 0.000 2.417 81 V HA 0.414 4.530 4.120 -0.008 0.000 0.291 81 V C -0.936 174.687 176.094 -0.785 0.000 1.024 81 V CA -0.735 61.246 62.300 -0.531 0.000 0.861 81 V CB 0.944 32.530 31.823 -0.396 0.000 0.985 81 V HN -0.035 nan 8.190 nan 0.000 0.436 82 F N 4.674 124.675 119.950 0.086 0.000 2.467 82 F HA 0.629 5.151 4.527 -0.008 0.000 0.336 82 F C -0.407 175.604 175.800 0.353 0.000 1.123 82 F CA -0.828 57.222 58.000 0.083 0.000 0.964 82 F CB 1.569 40.555 39.000 -0.023 0.000 1.136 82 F HN 0.263 nan 8.300 nan 0.000 0.447 83 F N 2.055 122.015 119.950 0.017 0.000 2.385 83 F HA 0.553 5.075 4.527 -0.008 0.000 0.360 83 F C 0.554 176.530 175.800 0.293 0.000 1.122 83 F CA -1.146 56.874 58.000 0.033 0.000 1.090 83 F CB 1.162 39.947 39.000 -0.359 0.000 1.150 83 F HN 0.500 nan 8.300 nan 0.000 0.472 84 T N -0.364 114.452 114.554 0.436 0.000 2.742 84 T HA 0.860 5.206 4.350 -0.008 0.000 0.282 84 T C 0.315 175.170 174.700 0.258 0.000 1.025 84 T CA -0.269 62.038 62.100 0.346 0.000 1.020 84 T CB 1.430 70.395 68.868 0.162 0.000 1.317 84 T HN 1.133 nan 8.240 nan 0.000 0.538 85 G N 0.943 109.796 108.800 0.088 0.000 2.552 85 G HA2 -0.176 3.779 3.960 -0.008 0.000 0.265 85 G HA3 -0.176 3.779 3.960 -0.008 0.000 0.265 85 G C -0.433 174.555 174.900 0.147 0.000 1.234 85 G CA 0.350 45.491 45.100 0.069 0.000 0.944 85 G HN 1.118 nan 8.290 nan 0.000 0.568 86 D N 1.839 122.335 120.400 0.161 0.000 2.517 86 D HA 0.607 5.243 4.640 -0.008 0.000 0.220 86 D C 0.573 177.033 176.300 0.266 0.000 1.158 86 D CA 0.885 55.011 54.000 0.208 0.000 0.992 86 D CB -0.204 40.703 40.800 0.179 0.000 1.058 86 D HN 0.911 nan 8.370 nan 0.000 0.516 87 A N 3.142 126.168 122.820 0.343 0.000 2.322 87 A HA 0.872 5.188 4.320 -0.008 0.000 0.327 87 A C -0.406 177.366 177.584 0.314 0.000 1.134 87 A CA -0.691 51.545 52.037 0.333 0.000 0.831 87 A CB 1.215 20.478 19.000 0.437 0.000 1.288 87 A HN 0.488 nan 8.150 nan 0.000 0.472 88 K N -0.929 119.657 120.400 0.310 0.000 2.587 88 K HA 0.653 4.968 4.320 -0.008 0.000 0.276 88 K C -2.030 174.768 176.600 0.329 0.000 0.956 88 K CA -0.760 55.730 56.287 0.339 0.000 0.857 88 K CB 1.600 34.400 32.500 0.500 0.000 1.431 88 K HN 0.443 nan 8.250 nan 0.000 0.420 89 V N 1.258 121.372 119.914 0.334 0.000 2.656 89 V HA 0.444 4.560 4.120 -0.008 0.000 0.307 89 V C -1.052 175.214 176.094 0.286 0.000 1.051 89 V CA -0.640 61.857 62.300 0.328 0.000 0.893 89 V CB 1.777 33.841 31.823 0.402 0.000 0.999 89 V HN 0.823 nan 8.190 nan 0.000 0.426 90 E N 4.371 124.730 120.200 0.265 0.000 2.218 90 E HA 0.505 4.851 4.350 -0.008 0.000 0.263 90 E C -1.389 175.366 176.600 0.258 0.000 0.879 90 E CA -0.579 56.002 56.400 0.302 0.000 0.762 90 E CB 2.395 32.271 29.700 0.294 0.000 1.166 90 E HN 0.517 nan 8.360 nan 0.000 0.415 91 L N 4.172 125.548 121.223 0.255 0.000 2.287 91 L HA 0.405 4.740 4.340 -0.008 0.000 0.280 91 L C 1.253 178.265 176.870 0.238 0.000 1.055 91 L CA -0.186 54.776 54.840 0.204 0.000 0.863 91 L CB 0.407 42.559 42.059 0.156 0.000 1.245 91 L HN 0.428 nan 8.230 nan 0.000 0.432 92 R N 1.550 122.171 120.500 0.202 0.000 2.175 92 R HA 0.147 4.482 4.340 -0.008 0.000 0.202 92 R C 1.228 177.609 176.300 0.136 0.000 1.018 92 R CA 0.234 56.441 56.100 0.177 0.000 1.029 92 R CB 0.412 30.758 30.300 0.076 0.000 0.959 92 R HN 0.680 nan 8.270 nan 0.000 0.480 93 G N 0.939 109.812 108.800 0.122 0.000 2.683 93 G HA2 0.068 4.023 3.960 -0.008 0.000 0.260 93 G HA3 0.068 4.023 3.960 -0.008 0.000 0.260 93 G C -0.433 174.545 174.900 0.129 0.000 1.238 93 G CA -0.378 44.793 45.100 0.118 0.000 0.934 93 G HN 0.095 nan 8.290 nan 0.000 0.534 94 E N -0.923 119.361 120.200 0.141 0.000 2.232 94 E HA 0.297 4.643 4.350 -0.008 0.000 0.264 94 E C -0.484 176.224 176.600 0.180 0.000 0.973 94 E CA -0.909 55.564 56.400 0.121 0.000 0.849 94 E CB 1.062 30.846 29.700 0.141 0.000 1.198 94 E HN 0.598 nan 8.360 nan 0.000 0.407 95 H N -0.145 119.031 119.070 0.178 0.000 2.756 95 H HA -0.171 4.381 4.556 -0.008 0.000 0.315 95 H C -0.857 174.534 175.328 0.105 0.000 1.210 95 H CA 0.494 56.621 56.048 0.132 0.000 1.150 95 H CB -1.786 28.015 29.762 0.064 0.000 1.463 95 H HN 0.330 nan 8.280 nan 0.000 0.427 96 L N 0.774 122.101 121.223 0.174 0.000 2.334 96 L HA 0.631 4.966 4.340 -0.008 0.000 0.273 96 L C 0.714 177.661 176.870 0.129 0.000 1.013 96 L CA -0.778 54.147 54.840 0.142 0.000 0.816 96 L CB 2.213 44.351 42.059 0.131 0.000 1.278 96 L HN 0.026 nan 8.230 nan 0.000 0.431 97 I N 3.145 123.782 120.570 0.112 0.000 2.447 97 I HA 0.331 4.496 4.170 -0.008 0.000 0.287 97 I C -1.061 175.111 176.117 0.092 0.000 1.023 97 I CA -0.537 60.825 61.300 0.103 0.000 1.083 97 I CB 2.330 40.385 38.000 0.091 0.000 1.245 97 I HN 0.315 nan 8.210 nan 0.000 0.434 98 L N 7.201 128.484 121.223 0.101 0.000 2.305 98 L HA 0.555 4.891 4.340 -0.008 0.000 0.284 98 L C -0.555 176.356 176.870 0.069 0.000 1.013 98 L CA 0.214 55.106 54.840 0.086 0.000 0.819 98 L CB 1.227 43.365 42.059 0.131 0.000 1.227 98 L HN 0.656 nan 8.230 nan 0.000 0.417 99 E N 3.732 123.940 120.200 0.013 0.000 2.292 99 E HA 0.555 4.901 4.350 -0.008 0.000 0.272 99 E C 0.138 176.682 176.600 -0.094 0.000 0.881 99 E CA -0.231 56.181 56.400 0.020 0.000 0.754 99 E CB 1.584 31.326 29.700 0.069 0.000 1.201 99 E HN 0.897 nan 8.360 nan 0.000 0.425 100 G N 4.288 113.038 108.800 -0.084 0.000 2.182 100 G HA2 -0.170 3.785 3.960 -0.008 0.000 0.248 100 G HA3 -0.170 3.785 3.960 -0.008 0.000 0.248 100 G C -0.213 174.379 174.900 -0.514 0.000 1.042 100 G CA 0.206 45.114 45.100 -0.321 0.000 0.775 100 G HN 0.364 nan 8.290 nan 0.000 0.501 101 I N -0.328 119.993 120.570 -0.416 0.000 2.412 101 I HA 0.488 4.653 4.170 -0.008 0.000 0.296 101 I C 0.033 175.836 176.117 -0.522 0.000 0.987 101 I CA -1.855 59.015 61.300 -0.716 0.000 1.180 101 I CB 1.425 38.745 38.000 -1.132 0.000 1.340 101 I HN 0.228 nan 8.210 nan 0.000 0.455 102 W N 7.431 128.308 121.300 -0.704 0.000 2.329 102 W HA 0.447 5.102 4.660 -0.008 0.000 0.312 102 W C -1.760 174.559 176.519 -0.333 0.000 1.054 102 W CA -1.297 55.852 57.345 -0.326 0.000 1.245 102 W CB 1.242 30.627 29.460 -0.125 0.000 1.255 102 W HN 0.216 nan 8.180 nan 0.000 0.436 103 F N 6.669 126.660 119.950 0.068 0.000 2.391 103 F HA 0.337 4.860 4.527 -0.007 0.000 0.359 103 F C 0.523 176.674 175.800 0.584 0.000 1.122 103 F CA -0.199 57.911 58.000 0.184 0.000 1.120 103 F CB 0.881 39.612 39.000 -0.448 0.000 1.142 103 F HN 0.229 nan 8.300 nan 0.000 0.483 104 K N 0.311 121.202 120.400 0.818 0.000 2.533 104 K HA 0.465 4.781 4.320 -0.008 0.000 0.284 104 K C -1.250 175.434 176.600 0.140 0.000 1.025 104 K CA -1.029 55.564 56.287 0.509 0.000 0.900 104 K CB 1.314 34.084 32.500 0.449 0.000 1.519 104 K HN 0.229 nan 8.250 nan 0.000 0.432 105 D N -0.316 120.050 120.400 -0.057 0.000 2.708 105 D HA -0.134 4.502 4.640 -0.008 0.000 0.236 105 D C 0.129 176.232 176.300 -0.328 0.000 1.146 105 D CA 1.700 55.605 54.000 -0.157 0.000 0.662 105 D CB -1.418 39.326 40.800 -0.093 0.000 1.059 105 D HN 0.792 nan 8.370 nan 0.000 0.428 106 G N -0.109 108.200 108.800 -0.819 0.000 2.562 106 G HA2 0.423 4.378 3.960 -0.008 0.000 0.275 106 G HA3 0.423 4.378 3.960 -0.008 0.000 0.275 106 G C 0.492 175.116 174.900 -0.460 0.000 1.196 106 G CA -0.261 44.156 45.100 -1.140 0.000 0.908 106 G HN 0.204 nan 8.290 nan 0.000 0.524 107 N N -1.274 117.292 118.700 -0.223 0.000 2.570 107 N HA 0.020 4.755 4.740 -0.008 0.000 0.261 107 N C -0.011 175.522 175.510 0.039 0.000 1.540 107 N CA -0.418 52.594 53.050 -0.062 0.000 0.959 107 N CB 0.210 38.679 38.487 -0.030 0.000 1.449 107 N HN 0.469 nan 8.380 nan 0.000 0.519 108 R N 0.305 120.834 120.500 0.047 0.000 2.679 108 R HA 0.530 4.866 4.340 -0.008 0.000 0.269 108 R C 0.172 176.573 176.300 0.170 0.000 1.076 108 R CA -0.009 56.154 56.100 0.105 0.000 1.160 108 R CB 0.591 30.785 30.300 -0.177 0.000 1.054 108 R HN 0.302 nan 8.270 nan 0.000 0.507 109 A N 3.056 126.061 122.820 0.308 0.000 2.451 109 A HA 0.110 4.425 4.320 -0.008 0.000 0.266 109 A C 1.498 179.273 177.584 0.318 0.000 1.119 109 A CA -0.318 51.881 52.037 0.272 0.000 0.786 109 A CB -0.357 18.793 19.000 0.251 0.000 1.061 109 A HN 0.923 nan 8.150 nan 0.000 0.503 110 I N 1.129 121.829 120.570 0.216 0.000 2.454 110 I HA -0.269 3.897 4.170 -0.008 0.000 0.254 110 I C 1.886 178.130 176.117 0.211 0.000 1.156 110 I CA 1.823 63.252 61.300 0.216 0.000 1.433 110 I CB -0.361 37.733 38.000 0.157 0.000 1.082 110 I HN 0.836 nan 8.210 nan 0.000 0.432 111 Q N 1.894 121.795 119.800 0.169 0.000 2.482 111 Q HA 0.163 4.498 4.340 -0.008 0.000 0.209 111 Q C 1.704 177.774 176.000 0.117 0.000 0.961 111 Q CA 0.869 56.745 55.803 0.123 0.000 0.945 111 Q CB 0.064 28.851 28.738 0.080 0.000 1.012 111 Q HN 0.580 nan 8.270 nan 0.000 0.515 112 A N -0.569 122.359 122.820 0.181 0.000 2.431 112 A HA 0.296 4.612 4.320 -0.008 0.000 0.239 112 A C -0.780 176.705 177.584 -0.165 0.000 1.230 112 A CA -0.505 51.554 52.037 0.037 0.000 0.928 112 A CB 0.236 19.270 19.000 0.057 0.000 1.006 112 A HN 0.404 nan 8.150 nan 0.000 0.520 113 W N 0.700 122.058 121.300 0.097 0.000 2.819 113 W HA 0.588 5.244 4.660 -0.007 0.000 0.337 113 W C -0.099 176.481 176.519 0.101 0.000 1.077 113 W CA -0.568 56.842 57.345 0.108 0.000 1.226 113 W CB 1.357 30.897 29.460 0.133 0.000 1.419 113 W HN 0.150 nan 8.180 nan 0.000 0.502 114 K N 0.249 120.826 120.400 0.295 0.000 2.443 114 K HA 0.793 5.108 4.320 -0.008 0.000 0.251 114 K C -0.414 176.323 176.600 0.228 0.000 0.972 114 K CA -0.944 55.478 56.287 0.225 0.000 0.833 114 K CB 1.793 34.382 32.500 0.148 0.000 1.317 114 K HN 0.211 nan 8.250 nan 0.000 0.441 115 S N 1.855 117.677 115.700 0.203 0.000 2.563 115 S HA 0.015 4.480 4.470 -0.008 0.000 0.284 115 S C 0.095 174.831 174.600 0.226 0.000 1.331 115 S CA 0.022 58.312 58.200 0.150 0.000 1.047 115 S CB -0.347 62.942 63.200 0.149 0.000 0.859 115 S HN 0.902 nan 8.310 nan 0.000 0.514 116 H N -1.746 117.386 119.070 0.103 0.000 3.237 116 H HA -0.153 4.399 4.556 -0.007 0.000 0.231 116 H C 0.758 176.151 175.328 0.108 0.000 1.148 116 H CA 0.749 56.870 56.048 0.122 0.000 1.155 116 H CB -1.668 28.179 29.762 0.142 0.000 1.210 116 H HN 0.716 nan 8.280 nan 0.000 0.317 117 G N 0.800 109.710 108.800 0.183 0.000 2.671 117 G HA2 0.534 4.489 3.960 -0.008 0.000 0.275 117 G HA3 0.534 4.489 3.960 -0.008 0.000 0.275 117 G C -2.180 172.800 174.900 0.132 0.000 1.368 117 G CA -0.821 44.369 45.100 0.149 0.000 1.044 117 G HN 0.001 nan 8.290 nan 0.000 0.543 118 P HA 0.201 nan 4.420 nan 0.000 0.269 118 P C 0.420 177.874 177.300 0.256 0.000 1.209 118 P CA 0.087 63.272 63.100 0.141 0.000 0.776 118 P CB 0.852 32.666 31.700 0.190 0.000 0.876 119 G N 1.203 110.079 108.800 0.127 0.000 2.616 119 G HA2 0.158 4.114 3.960 -0.008 0.000 0.268 119 G HA3 0.158 4.114 3.960 -0.008 0.000 0.268 119 G C 0.906 175.911 174.900 0.176 0.000 1.213 119 G CA -0.614 44.548 45.100 0.104 0.000 0.926 119 G HN 0.540 nan 8.290 nan 0.000 0.523 120 L N 0.325 121.545 121.223 -0.005 0.000 2.013 120 L HA -0.039 4.297 4.340 -0.008 0.000 0.212 120 L C 1.154 178.012 176.870 -0.021 0.000 1.073 120 L CA 1.640 56.390 54.840 -0.149 0.000 0.753 120 L CB -0.297 41.551 42.059 -0.351 0.000 0.890 120 L HN 0.172 nan 8.230 nan 0.000 0.432 121 V N 1.217 121.099 119.914 -0.053 0.000 2.370 121 V HA 0.661 4.776 4.120 -0.008 0.000 0.279 121 V C 0.195 176.301 176.094 0.019 0.000 1.029 121 V CA -0.170 62.152 62.300 0.036 0.000 0.870 121 V CB 0.515 32.363 31.823 0.042 0.000 0.984 121 V HN 0.381 nan 8.190 nan 0.000 0.451 122 A N 6.742 129.598 122.820 0.060 0.000 2.287 122 A HA 0.824 5.139 4.320 -0.008 0.000 0.317 122 A C -0.595 176.892 177.584 -0.162 0.000 1.220 122 A CA -0.490 51.485 52.037 -0.103 0.000 0.835 122 A CB 0.509 19.464 19.000 -0.076 0.000 1.180 122 A HN 0.792 nan 8.150 nan 0.000 0.500 123 I N 2.977 123.397 120.570 -0.250 0.000 2.307 123 I HA 0.237 4.402 4.170 -0.008 0.000 0.289 123 I C -0.253 175.730 176.117 -0.223 0.000 1.021 123 I CA -0.028 61.194 61.300 -0.131 0.000 1.224 123 I CB 0.896 38.834 38.000 -0.103 0.000 1.376 123 I HN 0.837 nan 8.210 nan 0.000 0.470 124 Y N 4.249 124.574 120.300 0.041 0.000 2.507 124 Y HA 0.296 4.841 4.550 -0.008 0.000 0.263 124 Y C 1.630 177.558 175.900 0.046 0.000 1.093 124 Y CA -0.199 57.926 58.100 0.042 0.000 1.285 124 Y CB 0.422 38.909 38.460 0.046 0.000 1.115 124 Y HN 0.547 nan 8.280 nan 0.000 0.533 125 G N -0.344 108.571 108.800 0.192 0.000 2.462 125 G HA2 0.431 4.386 3.960 -0.008 0.000 0.319 125 G HA3 0.431 4.386 3.960 -0.008 0.000 0.319 125 G C -0.336 174.619 174.900 0.091 0.000 1.171 125 G CA -0.455 44.728 45.100 0.138 0.000 0.920 125 G HN 0.029 nan 8.290 nan 0.000 0.499 126 S N -1.253 114.498 115.700 0.085 0.000 2.669 126 S HA 0.364 4.830 4.470 -0.008 0.000 0.270 126 S C -0.448 174.161 174.600 0.015 0.000 1.225 126 S CA -0.119 58.095 58.200 0.024 0.000 0.991 126 S CB 0.277 63.496 63.200 0.032 0.000 0.987 126 S HN 0.563 nan 8.310 nan 0.000 0.552 127 Y N -0.314 119.980 120.300 -0.010 0.000 3.589 127 Y HA -0.207 4.338 4.550 -0.008 0.000 0.218 127 Y C 0.065 175.916 175.900 -0.081 0.000 1.234 127 Y CA 0.054 58.075 58.100 -0.131 0.000 1.576 127 Y CB -2.179 35.913 38.460 -0.614 0.000 1.487 127 Y HN 0.437 nan 8.280 nan 0.000 0.616 128 N N 0.931 119.681 118.700 0.083 0.000 2.430 128 N HA 0.642 5.377 4.740 -0.008 0.000 0.298 128 N C -0.298 175.269 175.510 0.095 0.000 1.130 128 N CA -0.851 52.255 53.050 0.093 0.000 0.894 128 N CB 1.861 40.394 38.487 0.076 0.000 1.209 128 N HN 0.338 nan 8.380 nan 0.000 0.503 129 R N 1.336 121.901 120.500 0.109 0.000 2.575 129 R HA 0.541 4.877 4.340 -0.008 0.000 0.293 129 R C -1.385 174.986 176.300 0.118 0.000 0.983 129 R CA -0.597 55.571 56.100 0.114 0.000 0.887 129 R CB 1.332 31.709 30.300 0.128 0.000 1.184 129 R HN 0.657 nan 8.270 nan 0.000 0.445 130 I N 3.160 123.805 120.570 0.126 0.000 2.389 130 I HA 0.395 4.561 4.170 -0.008 0.000 0.288 130 I C -1.336 174.879 176.117 0.164 0.000 0.999 130 I CA -0.130 61.262 61.300 0.154 0.000 1.129 130 I CB 1.998 40.107 38.000 0.181 0.000 1.288 130 I HN 0.662 nan 8.210 nan 0.000 0.444 131 T N 5.099 119.748 114.554 0.158 0.000 2.912 131 T HA 0.607 4.953 4.350 -0.008 0.000 0.299 131 T C 0.005 174.800 174.700 0.158 0.000 1.052 131 T CA 0.254 62.455 62.100 0.168 0.000 0.996 131 T CB 1.419 70.390 68.868 0.172 0.000 1.070 131 T HN 1.383 nan 8.240 nan 0.000 0.465 132 A N 1.881 124.782 122.820 0.136 0.000 2.791 132 A HA -0.121 4.195 4.320 -0.008 0.000 0.292 132 A C 0.485 178.184 177.584 0.193 0.000 1.487 132 A CA 0.752 52.847 52.037 0.096 0.000 0.760 132 A CB -2.662 16.419 19.000 0.136 0.000 1.031 132 A HN 0.906 nan 8.150 nan 0.000 0.503 133 C N -0.909 118.436 119.300 0.074 0.000 2.454 133 C HA 0.728 5.184 4.460 -0.008 0.000 0.336 133 C C 0.628 175.528 174.990 -0.151 0.000 1.189 133 C CA -0.499 58.535 59.018 0.027 0.000 1.877 133 C CB 1.759 29.545 27.740 0.077 0.000 2.348 133 C HN 0.679 nan 8.230 nan 0.000 0.508 134 V N 2.273 122.012 119.914 -0.292 0.000 2.495 134 V HA 0.538 4.653 4.120 -0.008 0.000 0.298 134 V C -1.014 174.760 176.094 -0.534 0.000 1.031 134 V CA -0.239 61.756 62.300 -0.508 0.000 0.871 134 V CB 1.235 32.469 31.823 -0.982 0.000 0.988 134 V HN 0.706 nan 8.190 nan 0.000 0.432 135 F N 2.843 122.611 119.950 -0.304 0.000 2.460 135 F HA 0.579 5.102 4.527 -0.007 0.000 0.341 135 F C -0.210 175.507 175.800 -0.138 0.000 1.130 135 F CA -0.735 57.108 58.000 -0.262 0.000 0.962 135 F CB 1.711 40.413 39.000 -0.496 0.000 1.171 135 F HN 0.447 nan 8.300 nan 0.000 0.436 136 D N 2.498 122.992 120.400 0.156 0.000 2.476 136 D HA 0.165 4.800 4.640 -0.008 0.000 0.251 136 D C -0.300 176.169 176.300 0.282 0.000 1.291 136 D CA -0.329 53.803 54.000 0.219 0.000 0.939 136 D CB 1.277 42.210 40.800 0.222 0.000 1.221 136 D HN 0.718 nan 8.370 nan 0.000 0.567 137 C N 5.445 124.919 119.300 0.291 0.000 3.563 137 C HA -0.250 4.206 4.460 -0.008 0.000 0.284 137 C C 1.455 176.600 174.990 0.259 0.000 1.356 137 C CA 0.351 59.517 59.018 0.246 0.000 2.166 137 C CB -2.575 25.245 27.740 0.133 0.000 1.399 137 C HN 0.726 nan 8.230 nan 0.000 0.583 138 F N 2.297 122.370 119.950 0.206 0.000 2.075 138 F HA 0.124 4.646 4.527 -0.008 0.000 0.297 138 F C 1.366 177.248 175.800 0.136 0.000 1.113 138 F CA 2.800 60.885 58.000 0.141 0.000 1.218 138 F CB 0.142 39.177 39.000 0.058 0.000 0.984 138 F HN 0.775 nan 8.300 nan 0.000 0.472 139 D N -2.415 118.055 120.400 0.117 0.000 3.145 139 D HA 0.099 4.735 4.640 -0.008 0.000 0.345 139 D C -0.298 176.060 176.300 0.096 0.000 1.391 139 D CA -0.415 53.569 54.000 -0.028 0.000 0.930 139 D CB 0.027 40.729 40.800 -0.164 0.000 1.451 139 D HN 0.129 nan 8.370 nan 0.000 0.555 140 E N -0.872 119.376 120.200 0.080 0.000 2.501 140 E HA 0.443 4.788 4.350 -0.008 0.000 0.201 140 E C -0.266 176.421 176.600 0.145 0.000 1.016 140 E CA -0.296 56.175 56.400 0.118 0.000 0.920 140 E CB 1.068 30.832 29.700 0.105 0.000 1.023 140 E HN 0.467 nan 8.360 nan 0.000 0.474 141 A N 1.703 124.599 122.820 0.126 0.000 2.320 141 A HA 0.246 4.562 4.320 -0.008 0.000 0.287 141 A C -0.132 177.556 177.584 0.173 0.000 1.181 141 A CA -0.647 51.475 52.037 0.143 0.000 0.831 141 A CB 0.271 19.278 19.000 0.011 0.000 1.102 141 A HN 0.041 nan 8.150 nan 0.000 0.513 142 N N 1.915 120.763 118.700 0.246 0.000 2.452 142 N HA 0.391 5.126 4.740 -0.008 0.000 0.266 142 N C -0.062 175.596 175.510 0.248 0.000 1.175 142 N CA 0.846 54.046 53.050 0.251 0.000 0.945 142 N CB 0.799 39.459 38.487 0.290 0.000 1.063 142 N HN 0.921 nan 8.380 nan 0.000 0.472 143 S N -0.209 115.586 115.700 0.158 0.000 2.688 143 S HA 0.547 5.013 4.470 -0.008 0.000 0.269 143 S C -0.955 173.646 174.600 0.001 0.000 1.060 143 S CA -1.052 57.236 58.200 0.146 0.000 0.844 143 S CB 0.246 63.605 63.200 0.266 0.000 1.095 143 S HN 0.571 nan 8.310 nan 0.000 0.466 144 A N 0.582 123.377 122.820 -0.041 0.000 2.327 144 A HA 0.615 4.930 4.320 -0.008 0.000 0.255 144 A C 0.480 178.006 177.584 -0.097 0.000 1.099 144 A CA -0.213 51.727 52.037 -0.162 0.000 0.801 144 A CB -0.445 18.450 19.000 -0.175 0.000 1.062 144 A HN 0.973 nan 8.150 nan 0.000 0.496 145 Y N -0.275 119.834 120.300 -0.319 0.000 2.286 145 Y HA 0.212 4.758 4.550 -0.008 0.000 0.293 145 Y C 0.715 176.280 175.900 -0.559 0.000 1.124 145 Y CA 0.614 58.430 58.100 -0.473 0.000 1.178 145 Y CB -0.164 37.887 38.460 -0.681 0.000 1.010 145 Y HN 0.345 nan 8.280 nan 0.000 0.536 146 I N 0.103 120.471 120.570 -0.336 0.000 2.619 146 I HA 0.320 4.486 4.170 -0.008 0.000 0.292 146 I C -0.544 175.445 176.117 -0.212 0.000 1.100 146 I CA -0.746 60.394 61.300 -0.267 0.000 1.043 146 I CB 2.364 40.200 38.000 -0.274 0.000 1.239 146 I HN -0.164 nan 8.210 nan 0.000 0.420 147 T N 0.031 114.482 114.554 -0.171 0.000 2.916 147 T HA 0.617 4.963 4.350 -0.008 0.000 0.292 147 T C -0.256 174.309 174.700 -0.225 0.000 1.055 147 T CA -0.794 61.193 62.100 -0.189 0.000 1.009 147 T CB 1.818 70.589 68.868 -0.161 0.000 1.118 147 T HN 0.609 nan 8.240 nan 0.000 0.497 148 T N -0.020 114.389 114.554 -0.242 0.000 2.799 148 T HA 0.676 5.021 4.350 -0.008 0.000 0.286 148 T C -0.258 174.312 174.700 -0.216 0.000 0.973 148 T CA -0.676 61.273 62.100 -0.252 0.000 1.035 148 T CB 0.834 69.530 68.868 -0.286 0.000 0.932 148 T HN 0.616 nan 8.240 nan 0.000 0.469 149 S N 2.208 117.729 115.700 -0.298 0.000 2.526 149 S HA 0.591 5.056 4.470 -0.008 0.000 0.293 149 S C -0.569 173.997 174.600 -0.056 0.000 1.092 149 S CA -0.839 57.207 58.200 -0.257 0.000 0.980 149 S CB 1.076 63.940 63.200 -0.560 0.000 1.048 149 S HN 0.615 nan 8.310 nan 0.000 0.483 150 L N 2.861 124.131 121.223 0.079 0.000 2.417 150 L HA 0.336 4.671 4.340 -0.008 0.000 0.268 150 L C 1.313 178.354 176.870 0.284 0.000 1.158 150 L CA 0.213 55.146 54.840 0.155 0.000 0.819 150 L CB 0.400 42.528 42.059 0.116 0.000 1.112 150 L HN 0.847 nan 8.230 nan 0.000 0.458 151 T N -1.477 113.227 114.554 0.249 0.000 2.788 151 T HA 0.139 4.485 4.350 -0.008 0.000 0.287 151 T C 1.014 175.768 174.700 0.091 0.000 1.007 151 T CA -0.722 61.476 62.100 0.163 0.000 1.005 151 T CB 0.617 69.534 68.868 0.082 0.000 1.012 151 T HN 0.516 nan 8.240 nan 0.000 0.530 152 E N 1.134 121.353 120.200 0.031 0.000 2.209 152 E HA -0.141 4.204 4.350 -0.008 0.000 0.196 152 E C 1.648 178.264 176.600 0.027 0.000 0.993 152 E CA 1.313 57.727 56.400 0.024 0.000 0.819 152 E CB -0.292 29.405 29.700 -0.005 0.000 0.745 152 E HN 0.863 nan 8.360 nan 0.000 0.477 153 D N -1.030 119.387 120.400 0.028 0.000 2.328 153 D HA 0.029 4.664 4.640 -0.008 0.000 0.226 153 D C 1.166 177.490 176.300 0.040 0.000 1.066 153 D CA 0.725 54.742 54.000 0.028 0.000 0.861 153 D CB 0.122 40.936 40.800 0.023 0.000 0.912 153 D HN 0.177 nan 8.370 nan 0.000 0.521 154 G N 0.715 109.547 108.800 0.053 0.000 2.157 154 G HA2 -0.276 3.680 3.960 -0.008 0.000 0.239 154 G HA3 -0.276 3.680 3.960 -0.008 0.000 0.239 154 G C 0.088 175.026 174.900 0.064 0.000 0.982 154 G CA -0.113 45.021 45.100 0.058 0.000 0.650 154 G HN 0.401 nan 8.290 nan 0.000 0.527 155 K N 0.329 120.772 120.400 0.071 0.000 2.350 155 K HA 0.455 4.770 4.320 -0.008 0.000 0.279 155 K C 0.212 176.862 176.600 0.084 0.000 1.027 155 K CA -0.287 56.044 56.287 0.074 0.000 0.969 155 K CB 1.891 34.438 32.500 0.079 0.000 0.954 155 K HN 0.044 nan 8.250 nan 0.000 0.474 156 V N 5.652 125.607 119.914 0.067 0.000 2.370 156 V HA 0.175 4.290 4.120 -0.008 0.000 0.279 156 V C -2.103 174.026 176.094 0.060 0.000 1.029 156 V CA -2.152 60.182 62.300 0.056 0.000 0.870 156 V CB 1.026 32.863 31.823 0.024 0.000 0.984 156 V HN 0.671 nan 8.190 nan 0.000 0.451 157 P HA 0.261 nan 4.420 nan 0.000 0.268 157 P C -0.654 176.715 177.300 0.114 0.000 1.205 157 P CA -0.005 63.151 63.100 0.093 0.000 0.771 157 P CB 0.481 32.226 31.700 0.075 0.000 0.858 158 Q N 0.396 120.216 119.800 0.033 0.000 2.484 158 Q HA 0.340 4.675 4.340 -0.008 0.000 0.285 158 Q C -0.400 175.480 176.000 -0.199 0.000 1.097 158 Q CA -0.802 54.891 55.803 -0.183 0.000 0.802 158 Q CB 1.514 30.096 28.738 -0.260 0.000 1.444 158 Q HN 0.533 nan 8.270 nan 0.000 0.429 159 H N -1.900 117.060 119.070 -0.183 0.000 2.839 159 H HA -0.164 4.388 4.556 -0.007 0.000 0.298 159 H C -0.791 174.496 175.328 -0.068 0.000 1.224 159 H CA 0.355 56.260 56.048 -0.239 0.000 1.144 159 H CB -2.045 27.187 29.762 -0.884 0.000 1.372 159 H HN 0.513 nan 8.280 nan 0.000 0.408 160 C N 0.643 120.143 119.300 0.333 0.000 2.351 160 C HA 0.658 5.114 4.460 -0.008 0.000 0.359 160 C C 1.274 176.343 174.990 0.131 0.000 1.193 160 C CA -0.653 58.449 59.018 0.140 0.000 2.270 160 C CB 1.941 29.634 27.740 -0.079 0.000 2.369 160 C HN 0.520 nan 8.230 nan 0.000 0.553 161 R N 1.160 121.715 120.500 0.093 0.000 2.628 161 R HA 0.765 5.100 4.340 -0.008 0.000 0.288 161 R C -1.806 174.550 176.300 0.093 0.000 0.980 161 R CA -0.444 55.720 56.100 0.107 0.000 0.891 161 R CB 0.880 31.263 30.300 0.138 0.000 1.188 161 R HN 0.787 nan 8.270 nan 0.000 0.450 162 I N 4.987 125.617 120.570 0.101 0.000 2.410 162 I HA 0.322 4.487 4.170 -0.008 0.000 0.286 162 I C -1.002 175.205 176.117 0.150 0.000 1.009 162 I CA -0.506 60.871 61.300 0.129 0.000 1.111 162 I CB 1.711 39.783 38.000 0.120 0.000 1.262 162 I HN 0.673 nan 8.210 nan 0.000 0.443 163 D N 4.136 124.630 120.400 0.157 0.000 2.753 163 D HA 0.256 4.892 4.640 -0.008 0.000 0.224 163 D C -0.335 176.050 176.300 0.140 0.000 1.213 163 D CA -0.703 53.378 54.000 0.136 0.000 0.833 163 D CB 1.251 42.189 40.800 0.230 0.000 1.607 163 D HN 0.665 nan 8.370 nan 0.000 0.463 164 H N -1.815 117.275 119.070 0.033 0.000 2.791 164 H HA -0.151 4.401 4.556 -0.008 0.000 0.302 164 H C -0.580 174.642 175.328 -0.177 0.000 1.198 164 H CA 0.843 56.842 56.048 -0.082 0.000 1.145 164 H CB -1.875 27.841 29.762 -0.076 0.000 1.385 164 H HN 0.477 nan 8.280 nan 0.000 0.409 165 C N -0.289 118.906 119.300 -0.175 0.000 2.454 165 C HA 0.726 5.182 4.460 -0.008 0.000 0.336 165 C C 0.766 175.346 174.990 -0.683 0.000 1.189 165 C CA -0.354 58.421 59.018 -0.405 0.000 1.877 165 C CB 1.962 29.416 27.740 -0.476 0.000 2.348 165 C HN 0.631 nan 8.230 nan 0.000 0.508 166 S N 0.798 116.083 115.700 -0.693 0.000 2.473 166 S HA 0.798 5.264 4.470 -0.008 0.000 0.307 166 S C -1.425 172.815 174.600 -0.601 0.000 1.094 166 S CA -0.388 57.548 58.200 -0.440 0.000 1.070 166 S CB 0.197 63.336 63.200 -0.102 0.000 1.019 166 S HN 0.471 nan 8.310 nan 0.000 0.480 167 F N 3.088 122.987 119.950 -0.086 0.000 2.513 167 F HA 0.422 4.945 4.527 -0.007 0.000 0.358 167 F C 0.576 176.407 175.800 0.051 0.000 1.118 167 F CA -0.598 57.400 58.000 -0.004 0.000 1.037 167 F CB 1.803 40.687 39.000 -0.194 0.000 1.276 167 F HN 0.525 nan 8.300 nan 0.000 0.446 168 T N -1.861 112.873 114.554 0.301 0.000 2.906 168 T HA 0.466 4.812 4.350 -0.008 0.000 0.295 168 T C -0.537 174.280 174.700 0.195 0.000 1.061 168 T CA -0.952 61.269 62.100 0.203 0.000 1.000 168 T CB 1.904 70.876 68.868 0.172 0.000 1.103 168 T HN 0.379 nan 8.240 nan 0.000 0.486 169 D N -0.073 120.373 120.400 0.077 0.000 2.751 169 D HA -0.143 4.493 4.640 -0.008 0.000 0.233 169 D C -0.090 176.178 176.300 -0.053 0.000 1.149 169 D CA 1.021 55.002 54.000 -0.032 0.000 0.682 169 D CB -0.763 40.063 40.800 0.042 0.000 1.068 169 D HN 0.796 nan 8.370 nan 0.000 0.429 170 K N 1.041 121.397 120.400 -0.073 0.000 2.383 170 K HA 0.219 4.535 4.320 -0.008 0.000 0.286 170 K C 1.481 177.889 176.600 -0.320 0.000 1.051 170 K CA -0.176 56.036 56.287 -0.126 0.000 0.974 170 K CB 0.240 32.519 32.500 -0.369 0.000 0.968 170 K HN 0.384 nan 8.250 nan 0.000 0.475 171 I N 0.917 121.351 120.570 -0.228 0.000 3.927 171 I HA 0.157 4.323 4.170 -0.008 0.000 0.332 171 I C -0.309 175.790 176.117 -0.030 0.000 1.485 171 I CA -0.722 60.393 61.300 -0.308 0.000 1.131 171 I CB 0.494 38.388 38.000 -0.177 0.000 1.092 171 I HN 0.345 nan 8.210 nan 0.000 0.410 172 T N -2.315 112.172 114.554 -0.112 0.000 2.924 172 T HA 0.604 4.949 4.350 -0.008 0.000 0.291 172 T C -0.267 174.312 174.700 -0.203 0.000 1.045 172 T CA -0.496 61.566 62.100 -0.064 0.000 1.015 172 T CB 1.677 70.575 68.868 0.050 0.000 1.103 172 T HN 0.047 nan 8.240 nan 0.000 0.496 173 F N 1.388 121.365 119.950 0.044 0.000 2.485 173 F HA 0.482 5.005 4.527 -0.007 0.000 0.327 173 F C 1.296 177.066 175.800 -0.049 0.000 1.203 173 F CA 0.751 58.756 58.000 0.008 0.000 1.295 173 F CB 0.091 39.113 39.000 0.035 0.000 1.191 173 F HN 0.864 nan 8.300 nan 0.000 0.588 174 D N 0.025 120.490 120.400 0.108 0.000 10.644 174 D HA -0.164 4.472 4.640 -0.008 0.000 0.344 174 D C -0.846 175.367 176.300 -0.145 0.000 3.139 174 D CA -0.380 53.584 54.000 -0.060 0.000 2.654 174 D CB 0.107 40.859 40.800 -0.079 0.000 1.242 174 D HN 0.500 nan 8.370 nan 0.000 0.947 175 Q N -0.042 119.645 119.800 -0.189 0.000 2.540 175 Q HA 0.232 4.568 4.340 -0.008 0.000 0.256 175 Q C 1.430 177.258 176.000 -0.288 0.000 1.084 175 Q CA 0.186 55.859 55.803 -0.216 0.000 0.956 175 Q CB 0.490 29.102 28.738 -0.211 0.000 1.303 175 Q HN 0.321 nan 8.270 nan 0.000 0.509 176 V N 0.717 120.448 119.914 -0.306 0.000 2.295 176 V HA -0.127 3.988 4.120 -0.008 0.000 0.246 176 V C 0.789 176.614 176.094 -0.448 0.000 1.049 176 V CA 1.540 63.578 62.300 -0.437 0.000 1.024 176 V CB -0.284 31.348 31.823 -0.319 0.000 0.648 176 V HN 0.561 nan 8.190 nan 0.000 0.447 177 I N 0.497 120.869 120.570 -0.330 0.000 2.498 177 I HA 0.405 4.570 4.170 -0.008 0.000 0.290 177 I C -0.935 175.051 176.117 -0.219 0.000 1.032 177 I CA -0.377 60.750 61.300 -0.289 0.000 1.073 177 I CB 1.905 39.760 38.000 -0.242 0.000 1.251 177 I HN 0.131 nan 8.210 nan 0.000 0.426 178 N N 7.150 125.723 118.700 -0.213 0.000 2.362 178 N HA 0.568 5.303 4.740 -0.008 0.000 0.298 178 N C -1.122 174.273 175.510 -0.192 0.000 1.048 178 N CA -0.484 52.440 53.050 -0.210 0.000 0.858 178 N CB 2.680 41.034 38.487 -0.223 0.000 1.218 178 N HN 0.422 nan 8.380 nan 0.000 0.488 179 L N 2.379 123.499 121.223 -0.170 0.000 2.294 179 L HA 0.422 4.757 4.340 -0.008 0.000 0.283 179 L C -0.242 176.553 176.870 -0.125 0.000 1.015 179 L CA -0.676 54.091 54.840 -0.121 0.000 0.831 179 L CB 0.770 42.819 42.059 -0.017 0.000 1.217 179 L HN 0.251 nan 8.230 nan 0.000 0.420 180 N N 2.854 121.489 118.700 -0.108 0.000 2.400 180 N HA 0.248 4.983 4.740 -0.008 0.000 0.288 180 N C -0.026 175.464 175.510 -0.034 0.000 1.024 180 N CA -0.365 52.616 53.050 -0.114 0.000 0.894 180 N CB 1.958 40.394 38.487 -0.085 0.000 1.173 180 N HN 0.587 nan 8.380 nan 0.000 0.487 181 N N -0.938 117.743 118.700 -0.032 0.000 2.170 181 N HA 0.008 4.743 4.740 -0.008 0.000 0.222 181 N C -0.530 175.008 175.510 0.047 0.000 1.218 181 N CA -0.210 52.840 53.050 -0.001 0.000 0.889 181 N CB 0.448 38.908 38.487 -0.045 0.000 1.083 181 N HN 0.471 nan 8.380 nan 0.000 0.520 182 T N -3.411 111.206 114.554 0.106 0.000 2.868 182 T HA 0.808 5.153 4.350 -0.008 0.000 0.306 182 T C -0.677 174.157 174.700 0.223 0.000 1.224 182 T CA -0.795 61.399 62.100 0.157 0.000 1.012 182 T CB 1.615 70.602 68.868 0.197 0.000 1.221 182 T HN 0.243 nan 8.240 nan 0.000 0.499 183 A N 1.545 124.461 122.820 0.160 0.000 2.371 183 A HA 0.594 4.909 4.320 -0.008 0.000 0.257 183 A C 0.672 178.310 177.584 0.090 0.000 1.089 183 A CA -0.638 51.487 52.037 0.147 0.000 0.794 183 A CB 0.126 19.174 19.000 0.080 0.000 1.029 183 A HN 0.940 nan 8.150 nan 0.000 0.488 184 R N 0.747 121.259 120.500 0.020 0.000 2.570 184 R HA 0.409 4.745 4.340 -0.008 0.000 0.277 184 R C -0.167 176.008 176.300 -0.207 0.000 1.039 184 R CA 0.864 56.746 56.100 -0.362 0.000 1.065 184 R CB 0.193 30.275 30.300 -0.363 0.000 0.964 184 R HN 0.977 nan 8.270 nan 0.000 0.428 185 A N 4.019 126.715 122.820 -0.207 0.000 2.610 185 A HA 0.291 4.607 4.320 -0.008 0.000 0.291 185 A C 0.377 177.916 177.584 -0.074 0.000 1.086 185 A CA -0.774 51.200 52.037 -0.105 0.000 0.677 185 A CB 0.931 19.893 19.000 -0.063 0.000 1.278 185 A HN 0.808 nan 8.150 nan 0.000 0.414 186 I N -0.100 120.421 120.570 -0.081 0.000 2.830 186 I HA -0.077 4.088 4.170 -0.008 0.000 0.263 186 I C 1.287 177.302 176.117 -0.170 0.000 1.230 186 I CA 1.325 62.579 61.300 -0.076 0.000 1.480 186 I CB -0.303 37.656 38.000 -0.069 0.000 1.095 186 I HN 0.909 nan 8.210 nan 0.000 0.455 187 K N 1.609 121.890 120.400 -0.199 0.000 1.970 187 K HA -0.368 3.947 4.320 -0.008 0.000 0.407 187 K C 0.252 176.640 176.600 -0.353 0.000 1.724 187 K CA 2.069 58.157 56.287 -0.332 0.000 0.807 187 K CB -0.632 31.500 32.500 -0.613 0.000 1.153 187 K HN 0.574 nan 8.250 nan 0.000 0.789 188 D N -5.249 114.894 120.400 -0.430 0.000 3.064 188 D HA -0.031 4.605 4.640 -0.008 0.000 0.206 188 D C -0.121 176.072 176.300 -0.178 0.000 0.981 188 D CA 1.234 55.047 54.000 -0.312 0.000 0.972 188 D CB -1.725 38.931 40.800 -0.240 0.000 1.045 188 D HN 0.859 nan 8.370 nan 0.000 0.453 189 G N 0.212 108.920 108.800 -0.153 0.000 2.347 189 G HA2 0.446 4.401 3.960 -0.008 0.000 0.314 189 G HA3 0.446 4.401 3.960 -0.008 0.000 0.314 189 G C 1.116 175.974 174.900 -0.069 0.000 1.126 189 G CA -0.056 44.990 45.100 -0.091 0.000 0.929 189 G HN 0.702 nan 8.290 nan 0.000 0.441 190 S N 1.727 117.396 115.700 -0.050 0.000 2.464 190 S HA -0.193 4.272 4.470 -0.008 0.000 0.255 190 S C 1.018 175.606 174.600 -0.021 0.000 1.027 190 S CA 1.168 59.348 58.200 -0.032 0.000 0.994 190 S CB -0.325 62.863 63.200 -0.020 0.000 0.769 190 S HN 0.348 nan 8.310 nan 0.000 0.502 191 V N 2.347 122.249 119.914 -0.020 0.000 2.372 191 V HA 0.596 4.711 4.120 -0.008 0.000 0.261 191 V C 1.124 177.217 176.094 -0.000 0.000 1.055 191 V CA -0.124 62.171 62.300 -0.008 0.000 0.930 191 V CB 0.129 31.948 31.823 -0.006 0.000 1.031 191 V HN 0.512 nan 8.190 nan 0.000 0.479 192 G N 3.541 112.345 108.800 0.007 0.000 2.522 192 G HA2 0.576 4.531 3.960 -0.008 0.000 0.304 192 G HA3 0.576 4.531 3.960 -0.008 0.000 0.304 192 G C 0.394 175.305 174.900 0.018 0.000 1.210 192 G CA -0.213 44.899 45.100 0.021 0.000 0.960 192 G HN 0.906 nan 8.290 nan 0.000 0.497 193 G N -0.002 108.814 108.800 0.026 0.000 2.544 193 G HA2 0.494 4.450 3.960 -0.008 0.000 0.242 193 G HA3 0.494 4.450 3.960 -0.008 0.000 0.242 193 G C -2.145 172.737 174.900 -0.031 0.000 1.247 193 G CA -0.620 44.485 45.100 0.008 0.000 0.840 193 G HN 0.526 nan 8.290 nan 0.000 0.578 194 P HA 0.319 nan 4.420 nan 0.000 0.276 194 P C 0.067 177.267 177.300 -0.167 0.000 1.244 194 P CA -0.240 62.816 63.100 -0.073 0.000 0.801 194 P CB 0.932 32.609 31.700 -0.039 0.000 1.006 195 A N 2.639 125.311 122.820 -0.246 0.000 2.565 195 A HA 0.030 4.346 4.320 -0.008 0.000 0.237 195 A C 1.443 178.638 177.584 -0.648 0.000 1.053 195 A CA 0.495 52.211 52.037 -0.535 0.000 0.755 195 A CB -0.600 17.916 19.000 -0.806 0.000 0.980 195 A HN 0.578 nan 8.150 nan 0.000 0.506 196 M N 0.613 119.769 119.600 -0.740 0.000 2.552 196 M HA 0.114 4.589 4.480 -0.008 0.000 0.264 196 M C -0.365 175.383 176.300 -0.920 0.000 1.159 196 M CA 0.544 55.369 55.300 -0.791 0.000 1.176 196 M CB 0.120 32.255 32.600 -0.774 0.000 1.327 196 M HN 0.803 nan 8.290 nan 0.000 0.481 197 Y N -0.142 119.804 120.300 -0.591 0.000 3.589 197 Y HA -0.258 4.287 4.550 -0.007 0.000 0.218 197 Y C 0.143 175.826 175.900 -0.362 0.000 1.234 197 Y CA 0.011 57.842 58.100 -0.448 0.000 1.576 197 Y CB -3.219 34.912 38.460 -0.550 0.000 1.487 197 Y HN 0.353 nan 8.280 nan 0.000 0.616 198 H N 0.398 119.428 119.070 -0.066 0.000 2.509 198 H HA 0.686 5.237 4.556 -0.008 0.000 0.359 198 H C 0.509 175.837 175.328 0.001 0.000 1.253 198 H CA -0.624 55.404 56.048 -0.033 0.000 1.373 198 H CB 1.021 30.747 29.762 -0.059 0.000 1.555 198 H HN 0.330 nan 8.280 nan 0.000 0.586 199 R N 0.623 121.230 120.500 0.179 0.000 2.575 199 R HA 0.457 4.793 4.340 -0.008 0.000 0.293 199 R C -1.867 174.500 176.300 0.113 0.000 0.983 199 R CA -0.656 55.516 56.100 0.119 0.000 0.887 199 R CB 1.277 31.650 30.300 0.122 0.000 1.184 199 R HN 0.320 nan 8.270 nan 0.000 0.445 200 V N 5.528 125.502 119.914 0.100 0.000 2.378 200 V HA 0.352 4.468 4.120 -0.008 0.000 0.288 200 V C -0.623 175.535 176.094 0.105 0.000 1.016 200 V CA -0.547 61.826 62.300 0.123 0.000 0.840 200 V CB 1.373 33.288 31.823 0.154 0.000 0.994 200 V HN 0.891 nan 8.190 nan 0.000 0.431 201 D N 2.453 122.905 120.400 0.086 0.000 2.661 201 D HA 0.359 4.994 4.640 -0.008 0.000 0.228 201 D C -0.158 176.088 176.300 -0.090 0.000 1.183 201 D CA -0.841 53.153 54.000 -0.010 0.000 0.844 201 D CB 1.451 42.298 40.800 0.077 0.000 1.555 201 D HN 0.585 nan 8.370 nan 0.000 0.453 202 H N -1.906 117.041 119.070 -0.205 0.000 2.791 202 H HA -0.154 4.398 4.556 -0.008 0.000 0.302 202 H C -0.479 174.656 175.328 -0.320 0.000 1.198 202 H CA 0.776 56.589 56.048 -0.393 0.000 1.145 202 H CB -1.946 27.235 29.762 -0.968 0.000 1.385 202 H HN 0.456 nan 8.280 nan 0.000 0.409 203 C N -0.082 119.152 119.300 -0.110 0.000 2.399 203 C HA 0.626 5.082 4.460 -0.008 0.000 0.348 203 C C 0.471 175.377 174.990 -0.140 0.000 1.183 203 C CA -0.742 58.193 59.018 -0.138 0.000 2.023 203 C CB 0.689 28.406 27.740 -0.038 0.000 2.361 203 C HN 0.452 nan 8.230 nan 0.000 0.521 204 F N 1.923 121.637 119.950 -0.392 0.000 2.467 204 F HA 0.739 5.261 4.527 -0.007 0.000 0.336 204 F C -1.260 174.339 175.800 -0.335 0.000 1.123 204 F CA -1.165 56.715 58.000 -0.200 0.000 0.964 204 F CB 0.563 39.614 39.000 0.084 0.000 1.136 204 F HN 0.483 nan 8.300 nan 0.000 0.447 205 F N 3.868 123.324 119.950 -0.822 0.000 2.507 205 F HA 0.542 5.064 4.527 -0.008 0.000 0.328 205 F C -0.197 175.243 175.800 -0.600 0.000 1.136 205 F CA -0.773 56.944 58.000 -0.472 0.000 0.930 205 F CB 2.097 40.936 39.000 -0.268 0.000 1.166 205 F HN 0.388 nan 8.300 nan 0.000 0.436 206 S N 4.265 119.837 115.700 -0.213 0.000 2.706 206 S HA 0.560 5.025 4.470 -0.008 0.000 0.270 206 S C -1.614 173.025 174.600 0.065 0.000 1.163 206 S CA -0.538 57.634 58.200 -0.047 0.000 1.042 206 S CB 0.406 63.575 63.200 -0.052 0.000 1.079 206 S HN 0.672 nan 8.310 nan 0.000 0.474 207 N N 4.493 123.197 118.700 0.008 0.000 2.308 207 N HA 0.495 5.230 4.740 -0.008 0.000 0.283 207 N C -3.230 171.918 175.510 -0.603 0.000 1.105 207 N CA -1.056 51.843 53.050 -0.252 0.000 0.840 207 N CB 2.782 41.174 38.487 -0.158 0.000 1.633 207 N HN 0.362 nan 8.380 nan 0.000 0.476 208 P HA 0.080 nan 4.420 nan 0.000 0.276 208 P C -0.754 176.282 177.300 -0.440 0.000 1.244 208 P CA -0.284 62.110 63.100 -1.177 0.000 0.801 208 P CB 1.261 32.319 31.700 -1.071 0.000 1.006 209 Q N 1.587 121.276 119.800 -0.184 0.000 2.271 209 Q HA 0.068 4.403 4.340 -0.008 0.000 0.273 209 Q C -0.259 175.824 176.000 0.138 0.000 1.051 209 Q CA 0.339 56.127 55.803 -0.026 0.000 0.901 209 Q CB 0.255 28.975 28.738 -0.030 0.000 1.174 209 Q HN 0.266 nan 8.270 nan 0.000 0.385 210 K N 4.272 124.720 120.400 0.079 0.000 2.132 210 K HA 0.502 4.817 4.320 -0.008 0.000 0.241 210 K C -2.321 174.292 176.600 0.021 0.000 1.000 210 K CA -1.888 54.422 56.287 0.038 0.000 0.911 210 K CB 0.754 33.171 32.500 -0.137 0.000 1.093 210 K HN 0.519 nan 8.250 nan 0.000 0.460 211 P HA 0.125 nan 4.420 nan 0.000 0.280 211 P C 0.241 177.626 177.300 0.142 0.000 1.244 211 P CA 0.200 63.350 63.100 0.083 0.000 0.784 211 P CB 0.997 32.745 31.700 0.081 0.000 0.913 212 G N 3.316 112.164 108.800 0.080 0.000 2.553 212 G HA2 -0.272 3.683 3.960 -0.008 0.000 0.242 212 G HA3 -0.272 3.683 3.960 -0.008 0.000 0.242 212 G C -0.069 174.873 174.900 0.071 0.000 1.277 212 G CA -0.241 44.901 45.100 0.070 0.000 0.910 212 G HN 0.704 nan 8.290 nan 0.000 0.576 213 N N 1.814 120.555 118.700 0.068 0.000 3.124 213 N HA 0.505 5.240 4.740 -0.008 0.000 0.284 213 N C 1.184 176.763 175.510 0.115 0.000 1.209 213 N CA 0.960 54.044 53.050 0.056 0.000 1.149 213 N CB 0.102 38.609 38.487 0.032 0.000 1.434 213 N HN 1.098 nan 8.380 nan 0.000 0.529 214 A N 0.837 123.746 122.820 0.148 0.000 2.238 214 A HA 0.473 4.788 4.320 -0.008 0.000 0.210 214 A C 0.902 178.590 177.584 0.173 0.000 1.179 214 A CA 0.379 52.596 52.037 0.300 0.000 0.827 214 A CB -0.386 18.738 19.000 0.207 0.000 0.856 214 A HN 0.660 nan 8.150 nan 0.000 0.488 215 G N -1.917 106.910 108.800 0.046 0.000 3.209 215 G HA2 0.358 4.313 3.960 -0.008 0.000 0.686 215 G HA3 0.358 4.313 3.960 -0.008 0.000 0.686 215 G C 0.262 175.108 174.900 -0.089 0.000 1.065 215 G CA -0.264 44.811 45.100 -0.041 0.000 0.812 215 G HN 1.112 nan 8.290 nan 0.000 0.573 216 G N 0.573 109.303 108.800 -0.117 0.000 3.075 216 G HA2 0.790 4.745 3.960 -0.008 0.000 0.156 216 G HA3 0.790 4.745 3.960 -0.008 0.000 0.156 216 G C 1.385 176.202 174.900 -0.137 0.000 1.403 216 G CA 0.753 45.779 45.100 -0.123 0.000 1.033 216 G HN 1.678 nan 8.290 nan 0.000 0.589 217 G N -0.619 108.096 108.800 -0.142 0.000 2.518 217 G HA2 0.292 4.247 3.960 -0.008 0.000 0.213 217 G HA3 0.292 4.247 3.960 -0.008 0.000 0.213 217 G C 0.330 175.118 174.900 -0.187 0.000 1.226 217 G CA 0.277 45.285 45.100 -0.153 0.000 0.822 217 G HN 0.431 nan 8.290 nan 0.000 0.546 218 I N -0.185 120.274 120.570 -0.184 0.000 2.533 218 I HA 0.422 4.587 4.170 -0.008 0.000 0.290 218 I C -0.522 175.518 176.117 -0.127 0.000 1.056 218 I CA -0.803 60.415 61.300 -0.136 0.000 1.057 218 I CB 2.702 40.666 38.000 -0.060 0.000 1.240 218 I HN 0.065 nan 8.210 nan 0.000 0.423 219 R N 6.732 127.145 120.500 -0.145 0.000 2.514 219 R HA 0.751 5.086 4.340 -0.008 0.000 0.301 219 R C -1.614 174.598 176.300 -0.146 0.000 0.962 219 R CA -0.500 55.504 56.100 -0.159 0.000 0.882 219 R CB 1.460 31.628 30.300 -0.219 0.000 1.143 219 R HN 0.648 nan 8.270 nan 0.000 0.452 220 I N 4.866 125.369 120.570 -0.111 0.000 2.448 220 I HA 0.407 4.572 4.170 -0.008 0.000 0.281 220 I C 0.310 176.348 176.117 -0.131 0.000 1.027 220 I CA -0.338 60.907 61.300 -0.091 0.000 1.111 220 I CB 1.641 39.640 38.000 -0.001 0.000 1.236 220 I HN 1.037 nan 8.210 nan 0.000 0.452 221 G N 4.223 112.902 108.800 -0.201 0.000 2.760 221 G HA2 -0.287 3.668 3.960 -0.008 0.000 0.246 221 G HA3 -0.287 3.668 3.960 -0.008 0.000 0.246 221 G C -0.707 174.008 174.900 -0.309 0.000 1.359 221 G CA -0.037 44.947 45.100 -0.194 0.000 0.861 221 G HN 0.492 nan 8.290 nan 0.000 0.541 222 Y N -1.418 118.799 120.300 -0.137 0.000 2.652 222 Y HA 0.477 5.023 4.550 -0.006 0.000 0.274 222 Y C 0.888 176.415 175.900 -0.622 0.000 1.148 222 Y CA 0.326 58.209 58.100 -0.362 0.000 1.219 222 Y CB 0.523 38.748 38.460 -0.392 0.000 1.337 222 Y HN 0.589 nan 8.280 nan 0.000 0.490 223 Y N -0.631 119.676 120.300 0.012 0.000 2.677 223 Y HA 0.290 4.838 4.550 -0.004 0.000 0.334 223 Y C 1.210 177.045 175.900 -0.109 0.000 1.154 223 Y CA -1.797 56.163 58.100 -0.233 0.000 1.070 223 Y CB 0.772 39.099 38.460 -0.222 0.000 1.294 223 Y HN -0.193 nan 8.280 nan 0.000 0.475 224 R N -0.332 120.214 120.500 0.077 0.000 2.235 224 R HA -0.023 4.312 4.340 -0.008 0.000 0.213 224 R C 0.008 176.350 176.300 0.069 0.000 1.059 224 R CA 1.596 57.756 56.100 0.100 0.000 0.997 224 R CB -0.135 30.240 30.300 0.124 0.000 0.884 224 R HN 0.445 nan 8.270 nan 0.000 0.462 225 N N 1.083 119.815 118.700 0.053 0.000 2.463 225 N HA -0.029 4.707 4.740 -0.008 0.000 0.181 225 N C -0.579 174.948 175.510 0.028 0.000 1.078 225 N CA 0.520 53.589 53.050 0.031 0.000 0.902 225 N CB -0.048 38.447 38.487 0.012 0.000 0.970 225 N HN 0.270 nan 8.380 nan 0.000 0.451 226 D N 1.062 121.487 120.400 0.043 0.000 2.424 226 D HA 0.067 4.702 4.640 -0.008 0.000 0.244 226 D C 0.511 176.796 176.300 -0.026 0.000 1.134 226 D CA 0.182 54.191 54.000 0.014 0.000 0.881 226 D CB 1.207 42.023 40.800 0.027 0.000 1.191 226 D HN -0.055 nan 8.370 nan 0.000 0.445 227 I N 1.657 122.187 120.570 -0.066 0.000 2.359 227 I HA 0.257 4.423 4.170 -0.008 0.000 0.294 227 I C 1.433 177.438 176.117 -0.186 0.000 0.987 227 I CA -0.383 60.848 61.300 -0.115 0.000 1.225 227 I CB 0.993 38.916 38.000 -0.128 0.000 1.366 227 I HN 0.456 nan 8.210 nan 0.000 0.466 228 G N 4.533 113.212 108.800 -0.201 0.000 2.760 228 G HA2 0.025 3.981 3.960 -0.008 0.000 0.214 228 G HA3 0.025 3.981 3.960 -0.008 0.000 0.214 228 G C 0.659 175.338 174.900 -0.369 0.000 1.212 228 G CA -0.297 44.658 45.100 -0.242 0.000 0.858 228 G HN 0.617 nan 8.290 nan 0.000 0.611 229 R N -0.899 119.411 120.500 -0.316 0.000 3.516 229 R HA -0.163 4.173 4.340 -0.008 0.000 0.271 229 R C -0.539 175.599 176.300 -0.270 0.000 1.098 229 R CA 0.171 56.082 56.100 -0.314 0.000 0.732 229 R CB -2.677 27.350 30.300 -0.454 0.000 1.152 229 R HN 0.337 nan 8.270 nan 0.000 0.455 230 C N 0.334 119.492 119.300 -0.236 0.000 2.398 230 C HA 0.556 5.011 4.460 -0.008 0.000 0.364 230 C C 0.577 175.462 174.990 -0.176 0.000 1.219 230 C CA -0.895 58.023 59.018 -0.167 0.000 2.312 230 C CB 1.011 28.675 27.740 -0.128 0.000 2.428 230 C HN 0.389 nan 8.230 nan 0.000 0.564 231 L N 3.395 124.560 121.223 -0.097 0.000 2.287 231 L HA 0.690 5.026 4.340 -0.008 0.000 0.287 231 L C -0.694 176.128 176.870 -0.080 0.000 1.022 231 L CA 0.219 55.000 54.840 -0.098 0.000 0.814 231 L CB 1.177 43.233 42.059 -0.005 0.000 1.217 231 L HN 0.501 nan 8.230 nan 0.000 0.420 232 V N 5.788 125.611 119.914 -0.152 0.000 2.325 232 V HA 0.496 4.611 4.120 -0.008 0.000 0.280 232 V C -0.987 175.152 176.094 0.076 0.000 1.016 232 V CA -0.567 61.726 62.300 -0.011 0.000 0.818 232 V CB 1.157 32.993 31.823 0.023 0.000 1.019 232 V HN 0.862 nan 8.190 nan 0.000 0.434 233 D N 2.035 122.474 120.400 0.064 0.000 2.732 233 D HA 0.375 5.010 4.640 -0.008 0.000 0.229 233 D C 0.015 176.236 176.300 -0.131 0.000 1.152 233 D CA -0.777 53.245 54.000 0.037 0.000 0.854 233 D CB 2.031 42.915 40.800 0.140 0.000 1.590 233 D HN 0.277 nan 8.370 nan 0.000 0.468 234 S N 0.475 116.053 115.700 -0.205 0.000 3.698 234 S HA -0.158 4.308 4.470 -0.008 0.000 0.338 234 S C -0.258 174.106 174.600 -0.393 0.000 1.089 234 S CA 0.188 58.158 58.200 -0.384 0.000 0.991 234 S CB -1.757 61.029 63.200 -0.691 0.000 0.909 234 S HN 0.655 nan 8.310 nan 0.000 0.485 235 N N 0.562 119.140 118.700 -0.204 0.000 2.489 235 N HA 0.605 5.341 4.740 -0.008 0.000 0.284 235 N C -0.568 174.816 175.510 -0.210 0.000 1.158 235 N CA -0.618 52.315 53.050 -0.195 0.000 0.965 235 N CB 1.306 39.693 38.487 -0.168 0.000 1.195 235 N HN 0.275 nan 8.380 nan 0.000 0.506 236 L N 2.007 123.123 121.223 -0.179 0.000 2.316 236 L HA 0.502 4.837 4.340 -0.008 0.000 0.280 236 L C -1.615 175.151 176.870 -0.172 0.000 1.006 236 L CA -0.396 54.409 54.840 -0.058 0.000 0.836 236 L CB 0.057 42.227 42.059 0.185 0.000 1.221 236 L HN 0.314 nan 8.230 nan 0.000 0.418 237 F N 6.256 126.142 119.950 -0.106 0.000 2.361 237 F HA 0.551 5.073 4.527 -0.008 0.000 0.364 237 F C 0.228 175.999 175.800 -0.048 0.000 1.117 237 F CA -0.338 57.615 58.000 -0.077 0.000 1.071 237 F CB 1.398 40.338 39.000 -0.100 0.000 1.188 237 F HN 0.420 nan 8.300 nan 0.000 0.464 238 M N 4.936 124.550 119.600 0.023 0.000 2.093 238 M HA 0.421 4.897 4.480 -0.008 0.000 0.297 238 M C -0.216 176.140 176.300 0.093 0.000 0.938 238 M CA -0.385 54.962 55.300 0.079 0.000 0.920 238 M CB 0.802 33.509 32.600 0.178 0.000 1.517 238 M HN 0.729 nan 8.290 nan 0.000 0.427 239 R N 1.658 122.238 120.500 0.134 0.000 3.322 239 R HA -0.195 4.140 4.340 -0.008 0.000 0.253 239 R C -0.567 175.890 176.300 0.262 0.000 0.987 239 R CA 0.451 56.680 56.100 0.215 0.000 0.666 239 R CB -1.844 28.562 30.300 0.176 0.000 1.072 239 R HN 0.734 nan 8.270 nan 0.000 0.447 240 Q N 1.521 121.441 119.800 0.201 0.000 2.381 240 Q HA 0.052 4.387 4.340 -0.008 0.000 0.243 240 Q C -0.210 175.860 176.000 0.116 0.000 1.154 240 Q CA 0.492 56.399 55.803 0.172 0.000 0.899 240 Q CB 0.554 29.455 28.738 0.272 0.000 1.396 240 Q HN 0.145 nan 8.270 nan 0.000 0.485 241 D N 1.347 121.788 120.400 0.069 0.000 2.503 241 D HA 0.102 4.737 4.640 -0.008 0.000 0.218 241 D C 0.817 177.079 176.300 -0.062 0.000 1.183 241 D CA 0.118 54.126 54.000 0.014 0.000 0.827 241 D CB 0.562 41.391 40.800 0.048 0.000 1.034 241 D HN 0.420 nan 8.370 nan 0.000 0.510 242 S N 0.957 116.604 115.700 -0.088 0.000 2.381 242 S HA -0.205 4.260 4.470 -0.008 0.000 0.230 242 S C 1.021 175.577 174.600 -0.074 0.000 1.052 242 S CA 1.696 59.828 58.200 -0.114 0.000 1.068 242 S CB -0.013 63.111 63.200 -0.127 0.000 0.918 242 S HN 0.662 nan 8.310 nan 0.000 0.448 243 E N -2.297 117.866 120.200 -0.062 0.000 2.343 243 E HA 0.732 5.078 4.350 -0.008 0.000 0.257 243 E C 0.502 177.069 176.600 -0.055 0.000 1.079 243 E CA -0.185 56.188 56.400 -0.045 0.000 0.891 243 E CB 0.199 29.879 29.700 -0.033 0.000 1.732 243 E HN -0.089 nan 8.360 nan 0.000 0.465 244 A N -0.244 122.540 122.820 -0.059 0.000 1.978 244 A HA -0.088 4.227 4.320 -0.008 0.000 0.220 244 A C 0.413 177.944 177.584 -0.088 0.000 1.170 244 A CA 1.354 53.346 52.037 -0.075 0.000 0.636 244 A CB -0.756 18.187 19.000 -0.095 0.000 0.810 244 A HN 0.447 nan 8.150 nan 0.000 0.448 245 E N -0.645 119.494 120.200 -0.100 0.000 2.113 245 E HA 0.439 4.785 4.350 -0.008 0.000 0.273 245 E C 0.135 176.647 176.600 -0.146 0.000 0.924 245 E CA -0.404 55.919 56.400 -0.127 0.000 0.764 245 E CB 1.357 30.971 29.700 -0.143 0.000 1.104 245 E HN 0.395 nan 8.360 nan 0.000 0.406 246 I N 2.357 122.818 120.570 -0.181 0.000 2.202 246 I HA -0.094 4.071 4.170 -0.008 0.000 0.242 246 I C 0.849 176.784 176.117 -0.304 0.000 1.091 246 I CA 1.196 62.354 61.300 -0.236 0.000 1.368 246 I CB 0.141 37.955 38.000 -0.310 0.000 1.058 246 I HN 0.399 nan 8.210 nan 0.000 0.410 247 I N -0.359 120.022 120.570 -0.314 0.000 2.533 247 I HA 0.155 4.321 4.170 -0.008 0.000 0.290 247 I C -0.238 175.753 176.117 -0.209 0.000 1.056 247 I CA -0.307 60.835 61.300 -0.263 0.000 1.057 247 I CB 2.316 40.133 38.000 -0.305 0.000 1.240 247 I HN -0.196 nan 8.210 nan 0.000 0.423 248 T N 4.321 118.776 114.554 -0.166 0.000 2.929 248 T HA 0.205 4.551 4.350 -0.008 0.000 0.331 248 T C -0.314 174.319 174.700 -0.111 0.000 1.120 248 T CA -0.199 61.803 62.100 -0.164 0.000 0.973 248 T CB 0.291 69.045 68.868 -0.190 0.000 1.036 248 T HN 0.517 nan 8.240 nan 0.000 0.502 249 S N 4.508 120.174 115.700 -0.057 0.000 2.416 249 S HA 0.370 4.836 4.470 -0.008 0.000 0.287 249 S C 0.443 175.048 174.600 0.008 0.000 1.139 249 S CA -0.505 57.724 58.200 0.049 0.000 1.058 249 S CB -0.038 63.278 63.200 0.192 0.000 0.967 249 S HN 0.729 nan 8.310 nan 0.000 0.495 250 K N 3.122 123.516 120.400 -0.010 0.000 3.045 250 K HA 0.251 4.567 4.320 -0.008 0.000 0.211 250 K C -0.768 175.848 176.600 0.026 0.000 1.141 250 K CA -0.313 55.987 56.287 0.023 0.000 1.036 250 K CB 0.549 33.052 32.500 0.005 0.000 0.851 250 K HN 0.636 nan 8.250 nan 0.000 0.462 251 S N -1.063 114.647 115.700 0.017 0.000 2.587 251 S HA 0.275 4.741 4.470 -0.008 0.000 0.269 251 S C -0.887 173.698 174.600 -0.026 0.000 1.154 251 S CA -1.222 56.974 58.200 -0.006 0.000 0.824 251 S CB 1.314 64.484 63.200 -0.050 0.000 1.118 251 S HN 0.139 nan 8.310 nan 0.000 0.462 252 Q N 0.704 120.482 119.800 -0.037 0.000 2.354 252 Q HA 0.375 4.711 4.340 -0.008 0.000 0.244 252 Q C -0.409 175.516 176.000 -0.125 0.000 0.969 252 Q CA -0.144 55.627 55.803 -0.054 0.000 0.885 252 Q CB 0.230 28.956 28.738 -0.020 0.000 1.241 252 Q HN 0.802 nan 8.270 nan 0.000 0.461 253 E N 0.085 120.173 120.200 -0.186 0.000 2.637 253 E HA -0.225 4.120 4.350 -0.008 0.000 0.265 253 E C -0.795 175.664 176.600 -0.234 0.000 1.073 253 E CA -0.023 56.212 56.400 -0.274 0.000 0.778 253 E CB -1.153 28.408 29.700 -0.233 0.000 1.362 253 E HN 0.528 nan 8.360 nan 0.000 0.413 254 N N 0.414 118.989 118.700 -0.207 0.000 2.524 254 N HA 0.322 5.057 4.740 -0.008 0.000 0.283 254 N C -0.280 175.075 175.510 -0.257 0.000 1.142 254 N CA -0.093 52.815 53.050 -0.238 0.000 0.984 254 N CB 1.706 40.099 38.487 -0.156 0.000 1.155 254 N HN -0.110 nan 8.380 nan 0.000 0.467 255 V N 2.716 122.419 119.914 -0.352 0.000 2.487 255 V HA 0.312 4.427 4.120 -0.008 0.000 0.298 255 V C -1.137 174.746 176.094 -0.352 0.000 1.028 255 V CA -0.674 61.513 62.300 -0.188 0.000 0.860 255 V CB 0.700 32.464 31.823 -0.099 0.000 0.991 255 V HN 0.488 nan 8.190 nan 0.000 0.427 256 Y N 4.898 125.309 120.300 0.185 0.000 2.402 256 Y HA 0.570 5.115 4.550 -0.008 0.000 0.332 256 Y C -0.579 175.469 175.900 0.247 0.000 0.960 256 Y CA -0.577 57.653 58.100 0.216 0.000 1.228 256 Y CB 1.251 39.861 38.460 0.250 0.000 1.120 256 Y HN 0.660 nan 8.280 nan 0.000 0.491 257 Y N 1.473 121.858 120.300 0.142 0.000 2.361 257 Y HA 0.569 5.114 4.550 -0.008 0.000 0.337 257 Y C 0.551 176.490 175.900 0.066 0.000 0.965 257 Y CA -1.159 56.995 58.100 0.089 0.000 1.091 257 Y CB 1.813 40.301 38.460 0.048 0.000 1.182 257 Y HN 0.741 nan 8.280 nan 0.000 0.450 258 G N 4.164 112.645 108.800 -0.531 0.000 2.249 258 G HA2 -0.291 3.665 3.960 -0.008 0.000 0.273 258 G HA3 -0.291 3.665 3.960 -0.008 0.000 0.273 258 G C -0.500 174.266 174.900 -0.222 0.000 1.036 258 G CA 0.168 44.950 45.100 -0.530 0.000 0.824 258 G HN 0.661 nan 8.290 nan 0.000 0.504 259 N N 0.014 118.641 118.700 -0.121 0.000 2.509 259 N HA 0.478 5.213 4.740 -0.008 0.000 0.287 259 N C -0.230 175.128 175.510 -0.253 0.000 1.121 259 N CA 0.091 53.041 53.050 -0.167 0.000 0.977 259 N CB 1.226 39.635 38.487 -0.129 0.000 1.167 259 N HN 0.096 nan 8.380 nan 0.000 0.476 260 T N 1.971 116.348 114.554 -0.295 0.000 2.771 260 T HA 0.370 4.715 4.350 -0.008 0.000 0.281 260 T C -0.808 173.698 174.700 -0.323 0.000 0.982 260 T CA -0.274 61.702 62.100 -0.206 0.000 0.978 260 T CB 0.114 68.922 68.868 -0.099 0.000 0.930 260 T HN 0.240 nan 8.240 nan 0.000 0.447 261 Y N 3.158 123.454 120.300 -0.006 0.000 2.464 261 Y HA 0.540 5.085 4.550 -0.008 0.000 0.326 261 Y C -0.314 175.621 175.900 0.058 0.000 0.969 261 Y CA -1.133 57.000 58.100 0.055 0.000 1.270 261 Y CB 0.940 39.395 38.460 -0.007 0.000 1.103 261 Y HN 0.403 nan 8.280 nan 0.000 0.491 262 L N 4.648 125.962 121.223 0.152 0.000 2.298 262 L HA 0.535 4.870 4.340 -0.008 0.000 0.284 262 L C -0.134 176.708 176.870 -0.047 0.000 1.013 262 L CA -0.458 54.411 54.840 0.048 0.000 0.824 262 L CB 0.670 42.755 42.059 0.044 0.000 1.221 262 L HN 0.637 nan 8.230 nan 0.000 0.418 263 N N 2.542 121.064 118.700 -0.297 0.000 2.705 263 N HA -0.212 4.523 4.740 -0.008 0.000 0.255 263 N C -0.936 174.448 175.510 -0.210 0.000 1.008 263 N CA 1.006 53.543 53.050 -0.854 0.000 0.742 263 N CB -1.588 36.575 38.487 -0.540 0.000 0.906 263 N HN 0.556 nan 8.380 nan 0.000 0.541 264 C N 0.800 120.152 119.300 0.087 0.000 2.307 264 C HA 0.216 4.671 4.460 -0.008 0.000 0.340 264 C C 1.281 176.506 174.990 0.393 0.000 1.275 264 C CA -0.785 58.387 59.018 0.258 0.000 1.811 264 C CB 1.043 28.915 27.740 0.221 0.000 2.372 264 C HN 0.302 nan 8.230 nan 0.000 0.531 265 Q N 2.283 122.251 119.800 0.281 0.000 3.004 265 Q HA 0.442 4.777 4.340 -0.008 0.000 0.256 265 Q C 0.612 176.648 176.000 0.060 0.000 1.387 265 Q CA 0.050 55.934 55.803 0.135 0.000 0.962 265 Q CB 0.205 28.906 28.738 -0.061 0.000 1.676 265 Q HN 1.022 nan 8.270 nan 0.000 0.568 266 G N 0.251 109.100 108.800 0.081 0.000 2.342 266 G HA2 0.351 4.306 3.960 -0.008 0.000 0.297 266 G HA3 0.351 4.306 3.960 -0.008 0.000 0.297 266 G C -1.081 173.821 174.900 0.002 0.000 1.313 266 G CA -0.586 44.519 45.100 0.008 0.000 0.830 266 G HN 0.211 nan 8.290 nan 0.000 0.506 267 T N -1.932 112.587 114.554 -0.058 0.000 2.916 267 T HA 0.695 5.041 4.350 -0.008 0.000 0.292 267 T C -0.064 174.508 174.700 -0.214 0.000 1.055 267 T CA -0.788 61.254 62.100 -0.097 0.000 1.009 267 T CB 2.031 70.901 68.868 0.004 0.000 1.118 267 T HN 0.773 nan 8.240 nan 0.000 0.497 268 M N 3.027 122.412 119.600 -0.359 0.000 2.144 268 M HA 0.424 4.899 4.480 -0.008 0.000 0.356 268 M C -1.451 174.632 176.300 -0.361 0.000 1.217 268 M CA -0.279 54.744 55.300 -0.463 0.000 1.087 268 M CB 0.193 32.374 32.600 -0.699 0.000 1.609 268 M HN 0.671 nan 8.290 nan 0.000 0.467 269 N N 4.744 123.287 118.700 -0.263 0.000 2.284 269 N HA 0.424 5.159 4.740 -0.008 0.000 0.300 269 N C -1.480 174.052 175.510 0.038 0.000 1.047 269 N CA -0.320 52.694 53.050 -0.061 0.000 0.821 269 N CB 1.195 39.730 38.487 0.080 0.000 1.337 269 N HN 0.389 nan 8.380 nan 0.000 0.482 270 F N 1.657 121.604 119.950 -0.005 0.000 2.451 270 F HA 0.304 4.826 4.527 -0.008 0.000 0.356 270 F C 1.647 177.507 175.800 0.100 0.000 1.178 270 F CA -0.851 57.124 58.000 -0.042 0.000 1.210 270 F CB 0.462 39.311 39.000 -0.252 0.000 1.504 270 F HN 0.430 nan 8.300 nan 0.000 0.598 271 R N 0.987 121.486 120.500 -0.002 0.000 2.075 271 R HA 0.090 4.425 4.340 -0.008 0.000 0.220 271 R C -0.058 175.796 176.300 -0.744 0.000 1.118 271 R CA 1.413 57.112 56.100 -0.667 0.000 0.986 271 R CB 0.094 29.912 30.300 -0.804 0.000 0.884 271 R HN 0.381 nan 8.270 nan 0.000 0.439 272 H N -1.634 117.343 119.070 -0.155 0.000 2.851 272 H HA 0.528 5.080 4.556 -0.006 0.000 0.372 272 H C -0.683 174.662 175.328 0.028 0.000 1.158 272 H CA -0.370 55.642 56.048 -0.060 0.000 1.159 272 H CB 1.911 31.627 29.762 -0.076 0.000 1.757 272 H HN 0.418 nan 8.280 nan 0.000 0.546 273 G N 2.860 111.789 108.800 0.215 0.000 3.355 273 G HA2 -0.128 3.827 3.960 -0.008 0.000 0.686 273 G HA3 -0.128 3.827 3.960 -0.008 0.000 0.686 273 G C -0.960 174.043 174.900 0.172 0.000 1.097 273 G CA -0.880 44.304 45.100 0.139 0.000 0.881 273 G HN 0.501 nan 8.290 nan 0.000 0.550 274 D N 0.660 121.126 120.400 0.110 0.000 2.411 274 D HA 0.424 5.059 4.640 -0.008 0.000 0.251 274 D C 1.163 177.497 176.300 0.057 0.000 1.201 274 D CA 0.763 54.776 54.000 0.022 0.000 0.996 274 D CB 0.297 41.056 40.800 -0.068 0.000 1.101 274 D HN 0.896 nan 8.370 nan 0.000 0.504 275 H N -0.469 118.470 119.070 -0.218 0.000 2.748 275 H HA -0.195 4.356 4.556 -0.008 0.000 0.322 275 H C -0.667 174.639 175.328 -0.036 0.000 1.208 275 H CA 0.042 56.024 56.048 -0.109 0.000 1.151 275 H CB -0.706 28.997 29.762 -0.099 0.000 1.505 275 H HN 0.327 nan 8.280 nan 0.000 0.429 276 Q N 0.230 120.063 119.800 0.053 0.000 2.204 276 Q HA 0.674 5.009 4.340 -0.008 0.000 0.254 276 Q C -0.307 175.505 176.000 -0.314 0.000 0.981 276 Q CA -0.904 54.623 55.803 -0.459 0.000 0.897 276 Q CB 2.896 30.848 28.738 -1.310 0.000 1.273 276 Q HN 0.127 nan 8.270 nan 0.000 0.464 277 V N 0.474 120.318 119.914 -0.118 0.000 2.577 277 V HA 0.692 4.808 4.120 -0.008 0.000 0.303 277 V C -1.127 175.259 176.094 0.486 0.000 1.042 277 V CA -0.706 61.705 62.300 0.185 0.000 0.872 277 V CB 1.650 33.510 31.823 0.061 0.000 0.998 277 V HN 0.817 nan 8.190 nan 0.000 0.423 278 A N 6.357 129.497 122.820 0.533 0.000 2.332 278 A HA 0.920 5.235 4.320 -0.008 0.000 0.300 278 A C -1.023 176.733 177.584 0.287 0.000 1.153 278 A CA -0.358 51.947 52.037 0.446 0.000 0.764 278 A CB 0.783 19.985 19.000 0.336 0.000 1.174 278 A HN 0.752 nan 8.150 nan 0.000 0.467 279 I N 1.555 122.293 120.570 0.279 0.000 2.533 279 I HA 0.331 4.496 4.170 -0.008 0.000 0.290 279 I C 0.427 176.657 176.117 0.189 0.000 1.056 279 I CA -0.653 60.788 61.300 0.235 0.000 1.057 279 I CB 2.051 40.214 38.000 0.272 0.000 1.240 279 I HN 0.917 nan 8.210 nan 0.000 0.423 280 N N 3.431 122.142 118.700 0.019 0.000 2.727 280 N HA -0.189 4.546 4.740 -0.008 0.000 0.249 280 N C -0.674 174.620 175.510 -0.360 0.000 1.048 280 N CA 0.300 53.242 53.050 -0.180 0.000 0.714 280 N CB -0.612 37.856 38.487 -0.030 0.000 0.959 280 N HN 0.572 nan 8.380 nan 0.000 0.544 281 N N -0.004 118.494 118.700 -0.337 0.000 2.508 281 N HA 0.319 5.054 4.740 -0.008 0.000 0.285 281 N C -0.696 174.361 175.510 -0.754 0.000 1.144 281 N CA 0.196 53.001 53.050 -0.410 0.000 0.978 281 N CB 0.497 38.799 38.487 -0.308 0.000 1.180 281 N HN 0.051 nan 8.380 nan 0.000 0.484 282 F N 1.207 120.898 119.950 -0.431 0.000 2.444 282 F HA 0.333 4.855 4.527 -0.008 0.000 0.342 282 F C -0.471 175.097 175.800 -0.386 0.000 1.121 282 F CA -0.656 57.166 58.000 -0.298 0.000 0.997 282 F CB 0.811 39.711 39.000 -0.166 0.000 1.130 282 F HN 0.307 nan 8.300 nan 0.000 0.454 283 Y N 4.717 125.051 120.300 0.057 0.000 2.447 283 Y HA 0.525 5.070 4.550 -0.008 0.000 0.325 283 Y C -0.506 175.483 175.900 0.148 0.000 0.976 283 Y CA -0.946 57.182 58.100 0.047 0.000 1.280 283 Y CB 0.805 39.132 38.460 -0.220 0.000 1.104 283 Y HN 0.240 nan 8.280 nan 0.000 0.486 284 I N 2.634 123.366 120.570 0.270 0.000 2.465 284 I HA 0.588 4.753 4.170 -0.008 0.000 0.291 284 I C 0.320 176.497 176.117 0.100 0.000 1.014 284 I CA -0.778 60.650 61.300 0.214 0.000 1.093 284 I CB 1.830 39.931 38.000 0.168 0.000 1.267 284 I HN 0.715 nan 8.210 nan 0.000 0.431 285 G N 4.309 113.178 108.800 0.114 0.000 2.626 285 G HA2 0.457 4.412 3.960 -0.008 0.000 0.304 285 G HA3 0.457 4.412 3.960 -0.008 0.000 0.304 285 G C -0.202 174.765 174.900 0.112 0.000 1.385 285 G CA -0.449 44.660 45.100 0.015 0.000 0.957 285 G HN 0.689 nan 8.290 nan 0.000 0.504 286 N N 0.619 119.349 118.700 0.049 0.000 2.299 286 N HA 0.185 4.920 4.740 -0.008 0.000 0.246 286 N C -0.464 175.126 175.510 0.134 0.000 1.254 286 N CA -0.444 52.672 53.050 0.111 0.000 0.879 286 N CB 0.878 39.412 38.487 0.077 0.000 1.214 286 N HN 0.533 nan 8.380 nan 0.000 0.510 287 D N -1.417 119.109 120.400 0.210 0.000 2.752 287 D HA 0.199 4.834 4.640 -0.008 0.000 0.313 287 D C -0.299 176.139 176.300 0.228 0.000 1.225 287 D CA -0.608 53.505 54.000 0.188 0.000 0.976 287 D CB 0.377 41.256 40.800 0.131 0.000 1.443 287 D HN -0.000 nan 8.370 nan 0.000 0.515 288 Q N -0.992 118.874 119.800 0.109 0.000 2.189 288 Q HA 0.316 4.652 4.340 -0.008 0.000 0.221 288 Q C 1.281 177.231 176.000 -0.082 0.000 0.848 288 Q CA -0.333 55.492 55.803 0.036 0.000 1.007 288 Q CB 0.869 29.624 28.738 0.028 0.000 1.116 288 Q HN 0.341 nan 8.270 nan 0.000 0.481 289 R N 0.182 120.602 120.500 -0.133 0.000 2.090 289 R HA 0.035 4.371 4.340 -0.008 0.000 0.228 289 R C -0.459 175.380 176.300 -0.768 0.000 1.110 289 R CA 1.085 56.892 56.100 -0.487 0.000 0.973 289 R CB 0.440 30.351 30.300 -0.649 0.000 0.869 289 R HN 0.094 nan 8.270 nan 0.000 0.440 290 F N -2.502 117.293 119.950 -0.259 0.000 2.685 290 F HA 0.429 4.952 4.527 -0.007 0.000 0.315 290 F C 0.345 175.670 175.800 -0.791 0.000 1.126 290 F CA -1.094 56.651 58.000 -0.425 0.000 0.950 290 F CB 0.825 39.606 39.000 -0.366 0.000 1.360 290 F HN -0.147 nan 8.300 nan 0.000 0.469 291 G N 0.073 108.713 108.800 -0.267 0.000 2.403 291 G HA2 0.441 4.397 3.960 -0.008 0.000 0.259 291 G HA3 0.441 4.397 3.960 -0.008 0.000 0.259 291 G C -1.837 172.858 174.900 -0.342 0.000 1.244 291 G CA 0.049 44.977 45.100 -0.286 0.000 0.849 291 G HN 0.353 nan 8.290 nan 0.000 0.532 292 Y N -0.073 120.306 120.300 0.131 0.000 2.598 292 Y HA 0.745 5.290 4.550 -0.008 0.000 0.340 292 Y C 0.756 176.731 175.900 0.125 0.000 1.038 292 Y CA -0.743 57.438 58.100 0.136 0.000 1.100 292 Y CB 2.361 40.915 38.460 0.157 0.000 1.281 292 Y HN 0.799 nan 8.280 nan 0.000 0.488 293 G N -1.050 107.939 108.800 0.315 0.000 2.733 293 G HA2 0.659 4.615 3.960 -0.008 0.000 0.288 293 G HA3 0.659 4.615 3.960 -0.008 0.000 0.288 293 G C -0.623 174.378 174.900 0.168 0.000 1.373 293 G CA -0.586 44.637 45.100 0.206 0.000 0.895 293 G HN 1.200 nan 8.290 nan 0.000 0.479 294 G N -1.250 107.516 108.800 -0.057 0.000 2.484 294 G HA2 0.370 4.325 3.960 -0.008 0.000 0.685 294 G HA3 0.370 4.325 3.960 -0.008 0.000 0.685 294 G C -0.905 173.776 174.900 -0.364 0.000 1.294 294 G CA -0.566 44.471 45.100 -0.106 0.000 0.879 294 G HN 0.722 nan 8.290 nan 0.000 0.646 295 M N 0.353 119.813 119.600 -0.233 0.000 2.395 295 M HA 0.663 5.139 4.480 -0.008 0.000 0.307 295 M C -1.307 174.978 176.300 -0.026 0.000 1.091 295 M CA -0.615 54.526 55.300 -0.266 0.000 0.919 295 M CB 2.522 34.891 32.600 -0.385 0.000 1.662 295 M HN 0.477 nan 8.290 nan 0.000 0.440 296 F N 2.617 122.467 119.950 -0.168 0.000 2.493 296 F HA 0.682 5.204 4.527 -0.008 0.000 0.329 296 F C -1.152 174.538 175.800 -0.183 0.000 1.126 296 F CA -0.751 57.131 58.000 -0.196 0.000 0.937 296 F CB 1.314 40.138 39.000 -0.294 0.000 1.146 296 F HN 0.192 nan 8.300 nan 0.000 0.442 297 V N 5.964 125.822 119.914 -0.094 0.000 2.407 297 V HA 0.314 4.429 4.120 -0.008 0.000 0.291 297 V C -0.772 175.414 176.094 0.154 0.000 1.018 297 V CA -0.854 61.484 62.300 0.064 0.000 0.842 297 V CB 1.329 33.112 31.823 -0.066 0.000 0.996 297 V HN 0.687 nan 8.190 nan 0.000 0.426 298 W N 2.680 124.117 121.300 0.228 0.000 2.578 298 W HA 0.682 5.338 4.660 -0.007 0.000 0.346 298 W C 0.719 177.445 176.519 0.345 0.000 1.075 298 W CA 0.115 57.604 57.345 0.241 0.000 1.233 298 W CB 2.120 31.675 29.460 0.158 0.000 1.358 298 W HN 0.975 nan 8.180 nan 0.000 0.574 299 G N 1.251 110.356 108.800 0.508 0.000 2.757 299 G HA2 -0.052 3.903 3.960 -0.008 0.000 0.638 299 G HA3 -0.052 3.903 3.960 -0.008 0.000 0.638 299 G C -0.640 174.302 174.900 0.069 0.000 1.344 299 G CA -0.323 44.995 45.100 0.364 0.000 0.855 299 G HN 0.891 nan 8.290 nan 0.000 0.537 300 S N -1.308 114.187 115.700 -0.342 0.000 2.709 300 S HA 0.844 5.309 4.470 -0.008 0.000 0.302 300 S C 0.710 174.824 174.600 -0.811 0.000 1.127 300 S CA 0.335 58.112 58.200 -0.704 0.000 0.905 300 S CB 2.090 64.619 63.200 -1.120 0.000 1.151 300 S HN 1.860 nan 8.310 nan 0.000 0.510 301 R N -0.273 119.868 120.500 -0.597 0.000 3.936 301 R HA -0.127 4.209 4.340 -0.008 0.000 0.366 301 R C -0.529 175.659 176.300 -0.187 0.000 1.158 301 R CA 0.877 56.756 56.100 -0.369 0.000 0.969 301 R CB -2.524 27.570 30.300 -0.343 0.000 1.504 301 R HN 0.760 nan 8.270 nan 0.000 0.538 302 H N -0.172 118.914 119.070 0.026 0.000 2.544 302 H HA 0.397 4.949 4.556 -0.008 0.000 0.365 302 H C 0.415 175.826 175.328 0.139 0.000 1.268 302 H CA -0.102 56.014 56.048 0.113 0.000 1.400 302 H CB 0.981 30.890 29.762 0.245 0.000 1.538 302 H HN -0.156 nan 8.280 nan 0.000 0.597 303 V N 3.294 123.405 119.914 0.329 0.000 2.376 303 V HA 0.248 4.363 4.120 -0.008 0.000 0.287 303 V C 0.149 176.413 176.094 0.284 0.000 1.015 303 V CA -0.392 62.051 62.300 0.238 0.000 0.834 303 V CB 0.996 32.926 31.823 0.179 0.000 1.001 303 V HN 0.486 nan 8.190 nan 0.000 0.428 304 I N 4.723 125.434 120.570 0.235 0.000 2.464 304 I HA 0.772 4.938 4.170 -0.008 0.000 0.277 304 I C 0.110 176.324 176.117 0.162 0.000 1.040 304 I CA -0.241 61.187 61.300 0.212 0.000 1.153 304 I CB 1.441 39.543 38.000 0.171 0.000 1.274 304 I HN 0.677 nan 8.210 nan 0.000 0.469 305 A N 3.390 126.299 122.820 0.149 0.000 2.475 305 A HA 0.584 4.900 4.320 -0.008 0.000 0.301 305 A C 0.377 178.010 177.584 0.081 0.000 1.059 305 A CA -0.421 51.684 52.037 0.113 0.000 0.710 305 A CB 1.305 20.370 19.000 0.107 0.000 1.288 305 A HN 0.827 nan 8.150 nan 0.000 0.408 306 C N 0.969 120.302 119.300 0.054 0.000 4.331 306 C HA -0.130 4.326 4.460 -0.008 0.000 0.293 306 C C 0.584 175.516 174.990 -0.097 0.000 1.436 306 C CA 0.424 59.448 59.018 0.009 0.000 1.993 306 C CB -3.013 24.750 27.740 0.039 0.000 1.266 306 C HN 0.773 nan 8.230 nan 0.000 0.795 307 N N -0.136 118.504 118.700 -0.100 0.000 2.524 307 N HA 0.434 5.169 4.740 -0.008 0.000 0.283 307 N C -0.609 174.702 175.510 -0.333 0.000 1.142 307 N CA -0.063 52.830 53.050 -0.263 0.000 0.984 307 N CB 0.903 39.285 38.487 -0.176 0.000 1.155 307 N HN 0.565 nan 8.380 nan 0.000 0.467 308 Y N 1.672 121.588 120.300 -0.639 0.000 2.328 308 Y HA 0.422 4.967 4.550 -0.008 0.000 0.337 308 Y C -1.400 174.286 175.900 -0.356 0.000 0.966 308 Y CA -0.866 56.983 58.100 -0.419 0.000 1.136 308 Y CB 0.469 38.685 38.460 -0.407 0.000 1.170 308 Y HN 0.326 nan 8.280 nan 0.000 0.470 309 F N 4.681 124.297 119.950 -0.556 0.000 2.460 309 F HA 0.375 4.897 4.527 -0.008 0.000 0.341 309 F C -0.316 175.311 175.800 -0.289 0.000 1.130 309 F CA -0.795 57.054 58.000 -0.252 0.000 0.962 309 F CB 1.792 40.620 39.000 -0.286 0.000 1.171 309 F HN 0.473 nan 8.300 nan 0.000 0.436 310 E N 5.364 125.640 120.200 0.128 0.000 2.460 310 E HA 0.459 4.805 4.350 -0.008 0.000 0.249 310 E C -1.889 174.847 176.600 0.227 0.000 0.962 310 E CA -0.309 56.194 56.400 0.171 0.000 0.787 310 E CB 0.794 30.658 29.700 0.273 0.000 1.341 310 E HN 0.659 nan 8.360 nan 0.000 0.407 311 L N 3.844 125.183 121.223 0.193 0.000 2.316 311 L HA 0.285 4.620 4.340 -0.008 0.000 0.280 311 L C 1.289 178.210 176.870 0.085 0.000 1.006 311 L CA -0.446 54.502 54.840 0.181 0.000 0.836 311 L CB 1.704 43.869 42.059 0.176 0.000 1.221 311 L HN 0.549 nan 8.230 nan 0.000 0.418 312 S N 0.788 116.578 115.700 0.150 0.000 2.447 312 S HA 0.073 4.538 4.470 -0.008 0.000 0.233 312 S C 0.563 175.114 174.600 -0.082 0.000 1.006 312 S CA 0.471 58.714 58.200 0.072 0.000 0.957 312 S CB 0.054 63.380 63.200 0.209 0.000 0.773 312 S HN 0.603 nan 8.310 nan 0.000 0.507 313 E N 0.943 121.156 120.200 0.022 0.000 2.343 313 E HA 0.411 4.756 4.350 -0.008 0.000 0.278 313 E C -0.832 175.744 176.600 -0.040 0.000 0.910 313 E CA -0.325 56.031 56.400 -0.073 0.000 0.757 313 E CB 2.251 31.899 29.700 -0.086 0.000 1.218 313 E HN 0.411 nan 8.360 nan 0.000 0.435 314 T N -1.557 112.937 114.554 -0.100 0.000 2.905 314 T HA 0.697 5.043 4.350 -0.008 0.000 0.283 314 T C 0.593 175.291 174.700 -0.002 0.000 1.031 314 T CA -0.774 61.302 62.100 -0.040 0.000 1.002 314 T CB 0.784 69.575 68.868 -0.128 0.000 1.200 314 T HN 0.320 nan 8.240 nan 0.000 0.560 315 I N 1.891 122.513 120.570 0.087 0.000 2.301 315 I HA 0.271 4.436 4.170 -0.008 0.000 0.292 315 I C 1.747 177.922 176.117 0.097 0.000 1.046 315 I CA -0.605 60.742 61.300 0.079 0.000 1.282 315 I CB 1.102 39.151 38.000 0.081 0.000 1.409 315 I HN 0.816 nan 8.210 nan 0.000 0.484 316 K N 3.848 124.289 120.400 0.069 0.000 2.044 316 K HA -0.244 4.072 4.320 -0.008 0.000 0.210 316 K C 2.140 178.793 176.600 0.088 0.000 1.049 316 K CA 2.297 58.638 56.287 0.090 0.000 0.927 316 K CB 0.032 32.576 32.500 0.074 0.000 0.713 316 K HN 0.758 nan 8.250 nan 0.000 0.443 317 S N 0.013 115.741 115.700 0.047 0.000 2.442 317 S HA -0.066 4.399 4.470 -0.008 0.000 0.236 317 S C 1.693 176.292 174.600 -0.002 0.000 1.007 317 S CA 0.550 58.762 58.200 0.021 0.000 0.965 317 S CB -0.141 63.056 63.200 -0.005 0.000 0.773 317 S HN 0.269 nan 8.310 nan 0.000 0.504 318 R N 0.646 121.135 120.500 -0.020 0.000 2.254 318 R HA 0.304 4.639 4.340 -0.008 0.000 0.195 318 R C 1.670 177.998 176.300 0.046 0.000 0.957 318 R CA 0.782 56.804 56.100 -0.130 0.000 1.024 318 R CB -0.414 29.577 30.300 -0.515 0.000 0.952 318 R HN 0.647 nan 8.270 nan 0.000 0.484 319 G N 0.784 109.730 108.800 0.243 0.000 2.198 319 G HA2 -0.211 3.745 3.960 -0.008 0.000 0.156 319 G HA3 -0.211 3.745 3.960 -0.008 0.000 0.156 319 G C -0.365 174.842 174.900 0.513 0.000 1.012 319 G CA -0.279 45.072 45.100 0.418 0.000 0.692 319 G HN 0.303 nan 8.290 nan 0.000 0.492 320 N N -0.616 118.301 118.700 0.362 0.000 2.648 320 N HA 0.106 4.842 4.740 -0.008 0.000 0.265 320 N C 0.007 175.448 175.510 -0.115 0.000 1.100 320 N CA 1.130 54.215 53.050 0.060 0.000 0.715 320 N CB -0.900 37.519 38.487 -0.113 0.000 0.881 320 N HN 1.801 nan 8.380 nan 0.000 0.548 321 A N -0.441 122.265 122.820 -0.189 0.000 2.594 321 A HA 0.914 5.229 4.320 -0.008 0.000 0.291 321 A C 0.655 177.879 177.584 -0.600 0.000 1.105 321 A CA -0.110 51.607 52.037 -0.532 0.000 0.694 321 A CB 0.874 19.415 19.000 -0.764 0.000 1.291 321 A HN 0.338 nan 8.150 nan 0.000 0.410 322 A N -0.232 122.306 122.820 -0.471 0.000 1.861 322 A HA 0.427 4.743 4.320 -0.008 0.000 0.212 322 A C 0.619 177.855 177.584 -0.579 0.000 1.199 322 A CA 1.540 53.355 52.037 -0.370 0.000 0.613 322 A CB -0.351 18.491 19.000 -0.263 0.000 0.846 322 A HN 1.485 nan 8.150 nan 0.000 0.446 323 L N -0.221 120.588 121.223 -0.690 0.000 2.325 323 L HA 0.601 4.936 4.340 -0.008 0.000 0.281 323 L C -1.897 174.560 176.870 -0.689 0.000 1.004 323 L CA -0.817 53.667 54.840 -0.592 0.000 0.823 323 L CB 1.221 43.001 42.059 -0.465 0.000 1.236 323 L HN 0.291 nan 8.230 nan 0.000 0.415 324 Y N 5.590 125.553 120.300 -0.562 0.000 2.331 324 Y HA 0.577 5.123 4.550 -0.008 0.000 0.338 324 Y C -0.432 174.905 175.900 -0.938 0.000 0.976 324 Y CA -0.653 56.927 58.100 -0.867 0.000 1.137 324 Y CB 1.461 39.056 38.460 -1.442 0.000 1.172 324 Y HN 0.383 nan 8.280 nan 0.000 0.478 325 L N 3.782 124.649 121.223 -0.592 0.000 2.298 325 L HA 0.353 4.688 4.340 -0.008 0.000 0.284 325 L C -0.253 176.374 176.870 -0.405 0.000 1.013 325 L CA -0.759 53.819 54.840 -0.437 0.000 0.824 325 L CB 1.142 43.011 42.059 -0.316 0.000 1.221 325 L HN 0.628 nan 8.230 nan 0.000 0.418 326 N N 5.601 124.051 118.700 -0.417 0.000 2.483 326 N HA 0.158 4.893 4.740 -0.008 0.000 0.264 326 N C -2.423 172.997 175.510 -0.150 0.000 1.197 326 N CA -0.675 52.177 53.050 -0.330 0.000 0.927 326 N CB 0.819 39.011 38.487 -0.492 0.000 1.065 326 N HN 0.240 nan 8.380 nan 0.000 0.461 327 P HA 0.503 nan 4.420 nan 0.000 0.285 327 P C -0.179 177.076 177.300 -0.076 0.000 1.269 327 P CA -0.243 62.761 63.100 -0.160 0.000 0.844 327 P CB 1.826 33.448 31.700 -0.131 0.000 1.094 328 G N -0.260 108.372 108.800 -0.279 0.000 2.332 328 G HA2 0.423 4.378 3.960 -0.008 0.000 0.265 328 G HA3 0.423 4.378 3.960 -0.008 0.000 0.265 328 G C -1.737 173.162 174.900 -0.002 0.000 1.329 328 G CA -0.078 45.053 45.100 0.051 0.000 0.949 328 G HN 0.554 nan 8.290 nan 0.000 0.476 329 A N -0.126 122.812 122.820 0.196 0.000 2.306 329 A HA 0.740 5.056 4.320 -0.008 0.000 0.314 329 A C 0.433 178.101 177.584 0.140 0.000 1.164 329 A CA 0.007 52.135 52.037 0.152 0.000 0.822 329 A CB 0.994 20.139 19.000 0.242 0.000 1.130 329 A HN 1.400 nan 8.150 nan 0.000 0.496 330 M N 2.823 122.455 119.600 0.053 0.000 2.248 330 M HA 0.347 4.822 4.480 -0.008 0.000 0.345 330 M C 1.022 177.412 176.300 0.151 0.000 1.243 330 M CA 1.464 56.806 55.300 0.070 0.000 1.090 330 M CB 0.128 32.692 32.600 -0.060 0.000 1.683 330 M HN 1.978 nan 8.290 nan 0.000 0.450 331 A N 2.720 125.668 122.820 0.213 0.000 2.798 331 A HA -0.195 4.120 4.320 -0.008 0.000 0.282 331 A C 0.494 178.184 177.584 0.176 0.000 1.464 331 A CA 1.221 53.371 52.037 0.189 0.000 0.844 331 A CB -2.724 16.364 19.000 0.146 0.000 1.006 331 A HN 1.105 nan 8.150 nan 0.000 0.577 332 S N -1.538 114.295 115.700 0.221 0.000 2.623 332 S HA 0.568 5.033 4.470 -0.008 0.000 0.278 332 S C 0.946 175.678 174.600 0.220 0.000 1.148 332 S CA 0.401 58.751 58.200 0.250 0.000 1.028 332 S CB 0.880 64.313 63.200 0.389 0.000 1.145 332 S HN 0.912 nan 8.310 nan 0.000 0.523 333 E N 0.207 120.529 120.200 0.203 0.000 2.204 333 E HA -0.155 4.190 4.350 -0.008 0.000 0.195 333 E C 0.067 176.524 176.600 -0.238 0.000 0.990 333 E CA 1.340 57.767 56.400 0.045 0.000 0.821 333 E CB -0.154 29.573 29.700 0.045 0.000 0.750 333 E HN 0.670 nan 8.360 nan 0.000 0.477 334 H N 0.047 119.071 119.070 -0.077 0.000 2.418 334 H HA 0.474 5.026 4.556 -0.007 0.000 0.238 334 H C -0.956 174.580 175.328 0.348 0.000 1.403 334 H CA -0.122 56.005 56.048 0.132 0.000 1.419 334 H CB 0.357 30.080 29.762 -0.065 0.000 1.463 334 H HN 0.184 nan 8.280 nan 0.000 0.515 335 A N 2.687 125.806 122.820 0.497 0.000 2.488 335 A HA 0.127 4.442 4.320 -0.008 0.000 0.249 335 A C 0.503 178.321 177.584 0.390 0.000 1.083 335 A CA -0.485 51.791 52.037 0.398 0.000 0.768 335 A CB 0.181 19.397 19.000 0.359 0.000 1.017 335 A HN 0.608 nan 8.150 nan 0.000 0.496 336 L N 2.844 124.225 121.223 0.264 0.000 2.615 336 L HA 0.281 4.616 4.340 -0.008 0.000 0.284 336 L C 0.750 177.795 176.870 0.292 0.000 1.237 336 L CA 0.872 55.819 54.840 0.178 0.000 0.905 336 L CB 0.126 42.212 42.059 0.046 0.000 1.149 336 L HN 0.801 nan 8.230 nan 0.000 0.499 337 A N 6.763 129.687 122.820 0.172 0.000 2.347 337 A HA 0.579 4.894 4.320 -0.008 0.000 0.287 337 A C -0.597 177.091 177.584 0.172 0.000 1.199 337 A CA -0.162 51.974 52.037 0.164 0.000 0.851 337 A CB -0.647 18.379 19.000 0.043 0.000 1.118 337 A HN 0.846 nan 8.150 nan 0.000 0.525 338 F N -0.076 119.800 119.950 -0.124 0.000 2.779 338 F HA 0.600 5.122 4.527 -0.008 0.000 0.316 338 F C -0.384 175.311 175.800 -0.174 0.000 1.164 338 F CA -1.021 56.828 58.000 -0.252 0.000 0.924 338 F CB 0.568 39.230 39.000 -0.564 0.000 1.348 338 F HN 0.539 nan 8.300 nan 0.000 0.467 339 D N 1.587 121.795 120.400 -0.320 0.000 2.803 339 D HA -0.181 4.454 4.640 -0.008 0.000 0.233 339 D C -0.863 175.243 176.300 -0.324 0.000 1.182 339 D CA 1.804 55.592 54.000 -0.352 0.000 0.726 339 D CB -0.521 39.973 40.800 -0.510 0.000 0.987 339 D HN 0.954 nan 8.370 nan 0.000 0.412 340 M N -1.053 118.445 119.600 -0.170 0.000 2.683 340 M HA 0.620 5.096 4.480 -0.008 0.000 0.274 340 M C -1.622 174.661 176.300 -0.029 0.000 1.272 340 M CA -1.434 53.814 55.300 -0.087 0.000 0.833 340 M CB 1.525 34.119 32.600 -0.010 0.000 1.708 340 M HN -0.008 nan 8.290 nan 0.000 0.463 341 L N 2.304 123.541 121.223 0.023 0.000 2.272 341 L HA 0.649 4.985 4.340 -0.008 0.000 0.289 341 L C -1.606 175.302 176.870 0.064 0.000 1.032 341 L CA -0.326 54.534 54.840 0.032 0.000 0.810 341 L CB 1.081 43.169 42.059 0.048 0.000 1.205 341 L HN 0.714 nan 8.230 nan 0.000 0.422 342 I N 5.977 126.569 120.570 0.037 0.000 2.464 342 I HA 0.637 4.803 4.170 -0.008 0.000 0.277 342 I C -0.368 175.797 176.117 0.080 0.000 1.040 342 I CA -0.280 61.060 61.300 0.067 0.000 1.153 342 I CB 1.265 39.282 38.000 0.030 0.000 1.274 342 I HN 0.760 nan 8.210 nan 0.000 0.469 343 A N 4.206 127.085 122.820 0.100 0.000 2.393 343 A HA 0.659 4.975 4.320 -0.008 0.000 0.306 343 A C 0.321 177.968 177.584 0.105 0.000 1.050 343 A CA -0.485 51.611 52.037 0.098 0.000 0.724 343 A CB 0.963 20.010 19.000 0.079 0.000 1.248 343 A HN 0.681 nan 8.150 nan 0.000 0.424 344 N N 0.577 119.350 118.700 0.122 0.000 2.741 344 N HA -0.137 4.599 4.740 -0.008 0.000 0.251 344 N C -0.263 175.305 175.510 0.096 0.000 1.112 344 N CA 1.303 54.435 53.050 0.137 0.000 0.750 344 N CB -1.277 37.273 38.487 0.105 0.000 1.119 344 N HN 0.802 nan 8.380 nan 0.000 0.561 345 N N 0.448 119.180 118.700 0.053 0.000 2.463 345 N HA 0.560 5.295 4.740 -0.008 0.000 0.270 345 N C 0.151 175.550 175.510 -0.185 0.000 1.205 345 N CA 0.179 53.192 53.050 -0.063 0.000 0.974 345 N CB 1.213 39.665 38.487 -0.058 0.000 1.197 345 N HN 0.255 nan 8.380 nan 0.000 0.504 346 A N 1.057 123.686 122.820 -0.318 0.000 2.356 346 A HA 0.675 4.991 4.320 -0.008 0.000 0.310 346 A C -1.431 175.837 177.584 -0.527 0.000 1.075 346 A CA -0.602 51.234 52.037 -0.335 0.000 0.746 346 A CB 0.380 19.284 19.000 -0.160 0.000 1.221 346 A HN 0.528 nan 8.150 nan 0.000 0.443 347 F N 3.442 123.257 119.950 -0.226 0.000 2.382 347 F HA 0.461 4.984 4.527 -0.008 0.000 0.361 347 F C -0.275 175.515 175.800 -0.016 0.000 1.109 347 F CA -0.628 57.314 58.000 -0.097 0.000 1.031 347 F CB 1.574 40.542 39.000 -0.052 0.000 1.234 347 F HN 0.263 nan 8.300 nan 0.000 0.445 348 I N 4.130 124.743 120.570 0.071 0.000 2.382 348 I HA 0.239 4.404 4.170 -0.008 0.000 0.285 348 I C 0.111 176.376 176.117 0.247 0.000 1.007 348 I CA -0.911 60.505 61.300 0.194 0.000 1.142 348 I CB 0.896 38.955 38.000 0.098 0.000 1.289 348 I HN 0.554 nan 8.210 nan 0.000 0.453 349 N N 3.327 122.202 118.700 0.292 0.000 2.725 349 N HA -0.142 4.593 4.740 -0.008 0.000 0.251 349 N C -0.303 175.415 175.510 0.347 0.000 1.031 349 N CA 0.415 53.660 53.050 0.324 0.000 0.720 349 N CB -0.857 37.819 38.487 0.314 0.000 0.930 349 N HN 0.344 nan 8.380 nan 0.000 0.543 350 V N 1.183 121.240 119.914 0.238 0.000 2.508 350 V HA 0.029 4.145 4.120 -0.008 0.000 0.281 350 V C 1.182 177.209 176.094 -0.111 0.000 1.041 350 V CA -0.418 61.928 62.300 0.076 0.000 1.016 350 V CB 1.279 33.158 31.823 0.092 0.000 0.984 350 V HN 0.289 nan 8.190 nan 0.000 0.478 351 N N 4.350 122.772 118.700 -0.464 0.000 3.124 351 N HA 0.457 5.192 4.740 -0.008 0.000 0.284 351 N C 0.018 175.152 175.510 -0.626 0.000 1.209 351 N CA 0.859 53.440 53.050 -0.782 0.000 1.149 351 N CB 0.101 37.828 38.487 -1.268 0.000 1.434 351 N HN 0.969 nan 8.380 nan 0.000 0.529 352 G N 0.679 109.017 108.800 -0.770 0.000 2.320 352 G HA2 0.101 4.056 3.960 -0.008 0.000 0.297 352 G HA3 0.101 4.056 3.960 -0.008 0.000 0.297 352 G C -1.707 172.688 174.900 -0.842 0.000 1.344 352 G CA -0.977 43.285 45.100 -1.397 0.000 0.851 352 G HN 0.131 nan 8.290 nan 0.000 0.567 353 Y N 0.809 120.820 120.300 -0.482 0.000 2.497 353 Y HA 0.392 4.937 4.550 -0.007 0.000 0.334 353 Y C 1.880 177.600 175.900 -0.300 0.000 1.199 353 Y CA 0.780 58.722 58.100 -0.264 0.000 1.425 353 Y CB 1.062 39.395 38.460 -0.210 0.000 1.291 353 Y HN 0.785 nan 8.280 nan 0.000 0.562 354 A N 3.599 126.334 122.820 -0.142 0.000 1.877 354 A HA -0.001 4.315 4.320 -0.008 0.000 0.216 354 A C 0.573 177.835 177.584 -0.537 0.000 1.186 354 A CA 1.325 53.139 52.037 -0.371 0.000 0.620 354 A CB -0.400 18.298 19.000 -0.503 0.000 0.822 354 A HN 0.672 nan 8.150 nan 0.000 0.443 355 I N -1.234 119.162 120.570 -0.290 0.000 2.499 355 I HA 0.264 4.429 4.170 -0.008 0.000 0.288 355 I C -0.937 175.011 176.117 -0.282 0.000 1.048 355 I CA -0.621 60.446 61.300 -0.389 0.000 1.062 355 I CB 1.935 39.641 38.000 -0.491 0.000 1.238 355 I HN 0.232 nan 8.210 nan 0.000 0.426 356 H N 6.410 125.169 119.070 -0.519 0.000 2.541 356 H HA 0.364 4.915 4.556 -0.007 0.000 0.316 356 H C -0.538 174.568 175.328 -0.370 0.000 1.043 356 H CA -0.687 55.154 56.048 -0.346 0.000 1.232 356 H CB 1.118 30.710 29.762 -0.284 0.000 1.406 356 H HN 0.471 nan 8.280 nan 0.000 0.469 357 F N 3.094 123.148 119.950 0.172 0.000 2.765 357 F HA 0.075 4.597 4.527 -0.008 0.000 0.302 357 F C 1.100 176.984 175.800 0.140 0.000 1.111 357 F CA 0.124 58.184 58.000 0.100 0.000 1.359 357 F CB 0.348 39.398 39.000 0.083 0.000 1.097 357 F HN 0.571 nan 8.300 nan 0.000 0.577 358 N N -1.008 117.963 118.700 0.452 0.000 2.581 358 N HA 0.100 4.836 4.740 -0.008 0.000 0.274 358 N C -3.362 172.212 175.510 0.106 0.000 1.629 358 N CA -0.887 52.330 53.050 0.279 0.000 0.884 358 N CB 0.078 38.834 38.487 0.449 0.000 1.423 358 N HN -0.061 nan 8.380 nan 0.000 0.507 359 P HA 0.097 nan 4.420 nan 0.000 0.269 359 P C 0.950 178.217 177.300 -0.054 0.000 1.209 359 P CA 0.057 62.873 63.100 -0.474 0.000 0.776 359 P CB 1.045 32.415 31.700 -0.550 0.000 0.876 360 L N -0.176 121.051 121.223 0.006 0.000 3.839 360 L HA -0.260 4.076 4.340 -0.008 0.000 0.416 360 L C 1.471 178.385 176.870 0.074 0.000 1.195 360 L CA 0.847 55.711 54.840 0.039 0.000 0.946 360 L CB -1.852 40.210 42.059 0.006 0.000 1.891 360 L HN 0.516 nan 8.230 nan 0.000 0.963 361 D N 0.113 120.595 120.400 0.137 0.000 2.178 361 D HA -0.195 4.440 4.640 -0.008 0.000 0.202 361 D C 1.419 177.739 176.300 0.033 0.000 0.974 361 D CA 1.707 55.823 54.000 0.193 0.000 0.841 361 D CB 0.127 41.152 40.800 0.375 0.000 0.953 361 D HN 0.607 nan 8.370 nan 0.000 0.478 362 E N 0.823 121.041 120.200 0.031 0.000 2.077 362 E HA -0.089 4.256 4.350 -0.008 0.000 0.193 362 E C 2.418 179.000 176.600 -0.029 0.000 0.989 362 E CA 1.007 57.393 56.400 -0.023 0.000 0.800 362 E CB -0.144 29.561 29.700 0.008 0.000 0.746 362 E HN 0.316 nan 8.360 nan 0.000 0.452 363 R N 0.280 120.779 120.500 -0.002 0.000 2.096 363 R HA 0.007 4.342 4.340 -0.008 0.000 0.235 363 R C 2.220 178.536 176.300 0.027 0.000 1.127 363 R CA 0.890 56.992 56.100 0.002 0.000 0.968 363 R CB -0.121 30.164 30.300 -0.026 0.000 0.861 363 R HN 0.036 nan 8.270 nan 0.000 0.440 364 R N 1.187 121.712 120.500 0.042 0.000 2.092 364 R HA -0.057 4.279 4.340 -0.008 0.000 0.231 364 R C 1.981 178.377 176.300 0.160 0.000 1.119 364 R CA 1.213 57.409 56.100 0.161 0.000 0.970 364 R CB -0.230 30.255 30.300 0.309 0.000 0.864 364 R HN 0.283 nan 8.270 nan 0.000 0.440 365 K N 0.765 121.070 120.400 -0.158 0.000 2.097 365 K HA -0.127 4.188 4.320 -0.008 0.000 0.206 365 K C 2.003 178.563 176.600 -0.067 0.000 1.049 365 K CA 1.183 57.284 56.287 -0.311 0.000 0.933 365 K CB -0.018 32.175 32.500 -0.512 0.000 0.717 365 K HN 0.298 nan 8.250 nan 0.000 0.442 366 E N 0.072 120.263 120.200 -0.016 0.000 2.058 366 E HA -0.247 4.098 4.350 -0.008 0.000 0.194 366 E C 1.931 178.578 176.600 0.078 0.000 0.997 366 E CA 1.461 57.877 56.400 0.027 0.000 0.801 366 E CB -0.239 29.482 29.700 0.035 0.000 0.746 366 E HN 0.351 nan 8.360 nan 0.000 0.450 367 Y N 0.982 121.305 120.300 0.039 0.000 2.128 367 Y HA -0.292 4.253 4.550 -0.008 0.000 0.284 367 Y C 2.312 178.271 175.900 0.098 0.000 1.154 367 Y CA 1.523 59.676 58.100 0.089 0.000 1.149 367 Y CB -0.470 38.076 38.460 0.143 0.000 0.976 367 Y HN 0.044 nan 8.280 nan 0.000 0.505 368 C N 0.395 119.754 119.300 0.098 0.000 2.440 368 C HA -0.026 4.429 4.460 -0.008 0.000 0.278 368 C C 3.065 178.021 174.990 -0.057 0.000 1.295 368 C CA 0.993 60.025 59.018 0.023 0.000 1.738 368 C CB -1.723 26.163 27.740 0.243 0.000 1.987 368 C HN 0.753 nan 8.230 nan 0.000 0.492 369 A N 0.725 123.528 122.820 -0.029 0.000 1.902 369 A HA 0.057 4.372 4.320 -0.008 0.000 0.217 369 A C 2.379 179.924 177.584 -0.066 0.000 1.181 369 A CA 2.043 54.058 52.037 -0.037 0.000 0.623 369 A CB -0.941 18.042 19.000 -0.028 0.000 0.818 369 A HN 0.557 nan 8.150 nan 0.000 0.443 370 A N 0.079 122.847 122.820 -0.088 0.000 1.908 370 A HA -0.183 4.133 4.320 -0.008 0.000 0.218 370 A C 1.774 179.282 177.584 -0.128 0.000 1.181 370 A CA 1.679 53.661 52.037 -0.092 0.000 0.627 370 A CB -0.497 18.456 19.000 -0.079 0.000 0.818 370 A HN 0.578 nan 8.150 nan 0.000 0.445 371 N N -1.290 117.277 118.700 -0.220 0.000 2.280 371 N HA 0.048 4.784 4.740 -0.008 0.000 0.192 371 N C -0.025 175.408 175.510 -0.128 0.000 1.109 371 N CA 0.215 53.137 53.050 -0.214 0.000 0.855 371 N CB 0.181 38.427 38.487 -0.402 0.000 0.974 371 N HN 0.441 nan 8.380 nan 0.000 0.482 372 R N 0.676 121.118 120.500 -0.095 0.000 3.336 372 R HA -0.135 4.200 4.340 -0.008 0.000 0.260 372 R C -0.909 175.372 176.300 -0.033 0.000 1.032 372 R CA 0.359 56.430 56.100 -0.049 0.000 0.693 372 R CB -1.680 28.598 30.300 -0.036 0.000 1.134 372 R HN 0.226 nan 8.270 nan 0.000 0.433 373 L N 0.095 121.297 121.223 -0.034 0.000 2.332 373 L HA 0.418 4.753 4.340 -0.008 0.000 0.269 373 L C 0.574 177.482 176.870 0.063 0.000 1.016 373 L CA -0.899 53.950 54.840 0.015 0.000 0.809 373 L CB 1.433 43.509 42.059 0.029 0.000 1.280 373 L HN 0.039 nan 8.230 nan 0.000 0.447 374 K N 1.665 122.107 120.400 0.071 0.000 2.284 374 K HA 0.200 4.516 4.320 -0.008 0.000 0.287 374 K C -0.820 175.856 176.600 0.127 0.000 1.081 374 K CA -0.424 55.911 56.287 0.080 0.000 0.910 374 K CB 0.449 32.966 32.500 0.028 0.000 1.088 374 K HN 0.338 nan 8.250 nan 0.000 0.478 375 F N 4.227 124.189 119.950 0.021 0.000 2.456 375 F HA 0.160 4.682 4.527 -0.009 0.000 0.358 375 F C -0.271 175.516 175.800 -0.022 0.000 1.095 375 F CA 0.415 58.426 58.000 0.019 0.000 1.216 375 F CB 0.640 39.652 39.000 0.020 0.000 1.125 375 F HN 0.603 nan 8.300 nan 0.000 0.549 376 E N 2.265 121.956 120.200 -0.849 0.000 2.433 376 E HA 0.439 4.784 4.350 -0.008 0.000 0.273 376 E C -1.163 174.907 176.600 -0.883 0.000 0.950 376 E CA -1.100 54.925 56.400 -0.626 0.000 0.796 376 E CB 2.224 31.753 29.700 -0.286 0.000 1.330 376 E HN 0.583 nan 8.360 nan 0.000 0.455 377 T N -1.819 112.442 114.554 -0.489 0.000 2.908 377 T HA 0.491 4.836 4.350 -0.008 0.000 0.290 377 T C -2.817 171.857 174.700 -0.045 0.000 1.034 377 T CA -2.527 59.348 62.100 -0.375 0.000 1.010 377 T CB 1.484 70.076 68.868 -0.459 0.000 1.068 377 T HN 0.040 nan 8.240 nan 0.000 0.481 378 P HA 0.137 nan 4.420 nan 0.000 0.262 378 P C -0.299 177.081 177.300 0.133 0.000 1.182 378 P CA 0.377 63.510 63.100 0.054 0.000 0.761 378 P CB 0.057 31.826 31.700 0.115 0.000 0.795 379 H N 0.889 120.006 119.070 0.079 0.000 2.948 379 H HA 0.318 4.869 4.556 -0.008 0.000 0.315 379 H C -0.504 174.886 175.328 0.103 0.000 1.360 379 H CA -0.856 55.215 56.048 0.038 0.000 1.125 379 H CB 0.778 30.524 29.762 -0.026 0.000 1.844 379 H HN 0.334 nan 8.280 nan 0.000 0.529 380 Q N 0.354 120.263 119.800 0.182 0.000 2.481 380 Q HA -0.165 4.170 4.340 -0.008 0.000 0.272 380 Q C -0.603 175.399 176.000 0.003 0.000 1.157 380 Q CA 0.712 56.575 55.803 0.101 0.000 0.935 380 Q CB -1.374 27.467 28.738 0.172 0.000 1.338 380 Q HN 0.405 nan 8.270 nan 0.000 0.494 381 L N 0.653 121.861 121.223 -0.024 0.000 2.349 381 L HA 0.321 4.656 4.340 -0.008 0.000 0.275 381 L C 0.560 177.351 176.870 -0.133 0.000 1.115 381 L CA -0.213 54.580 54.840 -0.079 0.000 0.820 381 L CB 0.580 42.596 42.059 -0.072 0.000 1.135 381 L HN 0.049 nan 8.230 nan 0.000 0.445 382 M N 5.440 124.971 119.600 -0.114 0.000 2.055 382 M HA 0.352 4.827 4.480 -0.008 0.000 0.346 382 M C -0.940 175.280 176.300 -0.133 0.000 1.074 382 M CA -0.396 54.840 55.300 -0.107 0.000 1.009 382 M CB 0.831 33.405 32.600 -0.045 0.000 1.423 382 M HN 0.391 nan 8.290 nan 0.000 0.410 383 L N 4.754 125.826 121.223 -0.252 0.000 2.264 383 L HA 0.397 4.732 4.340 -0.008 0.000 0.287 383 L C 0.079 176.939 176.870 -0.017 0.000 1.039 383 L CA 0.081 54.776 54.840 -0.242 0.000 0.829 383 L CB 0.435 42.054 42.059 -0.733 0.000 1.211 383 L HN 0.483 nan 8.230 nan 0.000 0.427 384 K N 2.390 122.828 120.400 0.062 0.000 2.463 384 K HA 0.593 4.908 4.320 -0.008 0.000 0.255 384 K C 0.587 177.276 176.600 0.149 0.000 0.942 384 K CA -0.562 55.791 56.287 0.111 0.000 0.814 384 K CB 2.015 34.558 32.500 0.071 0.000 1.122 384 K HN 0.642 nan 8.250 nan 0.000 0.425 385 G N 2.408 111.327 108.800 0.198 0.000 2.160 385 G HA2 -0.244 3.712 3.960 -0.008 0.000 0.251 385 G HA3 -0.244 3.712 3.960 -0.008 0.000 0.251 385 G C -0.290 174.807 174.900 0.329 0.000 1.008 385 G CA -0.289 44.943 45.100 0.218 0.000 0.724 385 G HN 0.654 nan 8.290 nan 0.000 0.514 386 N N -0.408 118.445 118.700 0.256 0.000 2.524 386 N HA 0.519 5.254 4.740 -0.008 0.000 0.283 386 N C -0.288 175.102 175.510 -0.200 0.000 1.142 386 N CA -0.357 52.706 53.050 0.022 0.000 0.984 386 N CB 2.017 40.446 38.487 -0.096 0.000 1.155 386 N HN 0.302 nan 8.380 nan 0.000 0.467 387 L N 2.080 123.001 121.223 -0.504 0.000 2.296 387 L HA 0.548 4.883 4.340 -0.008 0.000 0.286 387 L C -1.588 174.921 176.870 -0.601 0.000 1.023 387 L CA -0.319 54.147 54.840 -0.622 0.000 0.812 387 L CB 0.345 41.871 42.059 -0.888 0.000 1.223 387 L HN 0.311 nan 8.230 nan 0.000 0.421 388 F N 6.553 126.400 119.950 -0.172 0.000 2.445 388 F HA 0.536 5.059 4.527 -0.008 0.000 0.348 388 F C -0.698 174.880 175.800 -0.370 0.000 1.125 388 F CA -0.440 57.257 58.000 -0.505 0.000 0.983 388 F CB 1.443 39.706 39.000 -1.229 0.000 1.198 388 F HN 0.371 nan 8.300 nan 0.000 0.436 389 F N 4.101 124.078 119.950 0.044 0.000 2.581 389 F HA 0.652 5.174 4.527 -0.008 0.000 0.311 389 F C -1.388 174.652 175.800 0.399 0.000 1.113 389 F CA -0.876 57.277 58.000 0.254 0.000 0.935 389 F CB 1.688 40.748 39.000 0.099 0.000 1.232 389 F HN 0.383 nan 8.300 nan 0.000 0.445 390 K N 4.005 124.044 120.400 -0.602 0.000 2.513 390 K HA 0.369 4.684 4.320 -0.008 0.000 0.251 390 K C -1.340 174.757 176.600 -0.839 0.000 0.939 390 K CA -0.489 55.476 56.287 -0.537 0.000 0.793 390 K CB 1.377 33.748 32.500 -0.215 0.000 1.241 390 K HN 0.702 nan 8.250 nan 0.000 0.431 391 D N 3.075 123.125 120.400 -0.583 0.000 2.582 391 D HA 0.138 4.774 4.640 -0.008 0.000 0.246 391 D C -0.674 175.502 176.300 -0.207 0.000 1.334 391 D CA -0.220 53.591 54.000 -0.315 0.000 0.805 391 D CB 0.396 41.125 40.800 -0.119 0.000 1.087 391 D HN 0.276 nan 8.370 nan 0.000 0.499 392 K N 1.031 121.261 120.400 -0.283 0.000 2.156 392 K HA 0.406 4.721 4.320 -0.008 0.000 0.250 392 K C -2.216 174.100 176.600 -0.473 0.000 0.955 392 K CA -1.989 54.048 56.287 -0.416 0.000 0.855 392 K CB 2.040 34.132 32.500 -0.681 0.000 1.101 392 K HN -0.205 nan 8.250 nan 0.000 0.434 393 P HA -0.010 nan 4.420 nan 0.000 0.258 393 P C -0.870 176.328 177.300 -0.171 0.000 1.559 393 P CA 0.065 63.013 63.100 -0.253 0.000 0.855 393 P CB -0.183 31.416 31.700 -0.167 0.000 1.594 394 Y N 0.243 120.509 120.300 -0.057 0.000 2.426 394 Y HA 0.018 4.563 4.550 -0.007 0.000 0.344 394 Y C 2.123 177.967 175.900 -0.094 0.000 1.256 394 Y CA -0.690 57.390 58.100 -0.033 0.000 1.451 394 Y CB 0.145 38.616 38.460 0.020 0.000 1.342 394 Y HN -0.182 nan 8.280 nan 0.000 0.600 395 V N -2.019 117.921 119.914 0.043 0.000 3.621 395 V HA 0.216 4.331 4.120 -0.008 0.000 0.285 395 V C -0.381 175.525 176.094 -0.313 0.000 1.346 395 V CA -0.079 62.106 62.300 -0.191 0.000 1.104 395 V CB -1.230 30.423 31.823 -0.283 0.000 0.913 395 V HN 0.522 nan 8.190 nan 0.000 0.432 396 Y N 3.212 123.369 120.300 -0.239 0.000 2.304 396 Y HA 0.621 5.166 4.550 -0.008 0.000 0.328 396 Y C -1.807 173.865 175.900 -0.380 0.000 1.123 396 Y CA -2.801 55.064 58.100 -0.392 0.000 1.218 396 Y CB 0.679 38.768 38.460 -0.619 0.000 1.207 396 Y HN 0.122 nan 8.280 nan 0.000 0.495 397 P HA 0.019 nan 4.420 nan 0.000 0.273 397 P C 0.242 177.404 177.300 -0.230 0.000 1.250 397 P CA -0.071 62.888 63.100 -0.236 0.000 0.793 397 P CB 0.814 32.471 31.700 -0.072 0.000 1.011 398 F N -0.874 118.850 119.950 -0.376 0.000 2.234 398 F HA 0.047 4.570 4.527 -0.008 0.000 0.299 398 F C 1.088 176.397 175.800 -0.820 0.000 1.087 398 F CA 1.453 58.978 58.000 -0.792 0.000 1.340 398 F CB -0.550 37.549 39.000 -1.501 0.000 1.031 398 F HN 0.081 nan 8.300 nan 0.000 0.500 399 F N -0.620 119.462 119.950 0.220 0.000 2.563 399 F HA 0.467 4.989 4.527 -0.008 0.000 0.316 399 F C -0.132 175.659 175.800 -0.014 0.000 1.076 399 F CA -1.806 56.288 58.000 0.157 0.000 0.921 399 F CB 1.538 40.646 39.000 0.181 0.000 1.209 399 F HN -0.473 nan 8.300 nan 0.000 0.462 400 K N 1.738 122.095 120.400 -0.071 0.000 2.502 400 K HA 0.417 4.733 4.320 -0.008 0.000 0.254 400 K C -1.938 174.638 176.600 -0.040 0.000 0.947 400 K CA -0.400 55.604 56.287 -0.472 0.000 0.834 400 K CB 1.089 32.634 32.500 -1.592 0.000 1.112 400 K HN 0.611 nan 8.250 nan 0.000 0.427 401 D N 3.808 124.222 120.400 0.023 0.000 2.336 401 D HA 0.145 4.780 4.640 -0.008 0.000 0.248 401 D C -0.377 175.989 176.300 0.109 0.000 1.326 401 D CA -0.331 53.751 54.000 0.136 0.000 0.973 401 D CB 1.244 42.047 40.800 0.004 0.000 1.255 401 D HN 0.550 nan 8.370 nan 0.000 0.558 402 D N 1.738 122.206 120.400 0.112 0.000 2.371 402 D HA -0.088 4.547 4.640 -0.008 0.000 0.221 402 D C 0.239 176.412 176.300 -0.211 0.000 0.986 402 D CA 0.680 54.631 54.000 -0.082 0.000 0.899 402 D CB 0.364 41.054 40.800 -0.185 0.000 0.902 402 D HN 0.523 nan 8.370 nan 0.000 0.530 403 Y N -0.448 119.914 120.300 0.104 0.000 2.699 403 Y HA 0.194 4.740 4.550 -0.007 0.000 0.282 403 Y C 0.012 175.941 175.900 0.048 0.000 1.058 403 Y CA -1.107 57.044 58.100 0.085 0.000 1.194 403 Y CB -0.400 38.115 38.460 0.092 0.000 1.193 403 Y HN -0.218 nan 8.280 nan 0.000 0.562 404 F N 2.338 122.310 119.950 0.037 0.000 2.578 404 F HA 0.345 4.868 4.527 -0.007 0.000 0.376 404 F C -0.236 175.552 175.800 -0.019 0.000 1.085 404 F CA -0.113 57.864 58.000 -0.038 0.000 1.260 404 F CB 0.239 39.182 39.000 -0.096 0.000 1.095 404 F HN -0.019 nan 8.300 nan 0.000 0.573 405 I N 6.135 126.179 120.570 -0.876 0.000 2.499 405 I HA 0.352 4.518 4.170 -0.008 0.000 0.288 405 I C -0.265 175.323 176.117 -0.883 0.000 1.048 405 I CA -1.151 59.806 61.300 -0.572 0.000 1.062 405 I CB 1.685 39.516 38.000 -0.282 0.000 1.238 405 I HN 0.795 nan 8.210 nan 0.000 0.426 406 A N 4.276 126.823 122.820 -0.455 0.000 2.566 406 A HA 0.409 4.725 4.320 -0.008 0.000 0.245 406 A C 1.319 178.799 177.584 -0.174 0.000 1.056 406 A CA 1.055 52.973 52.037 -0.198 0.000 0.757 406 A CB -0.441 18.581 19.000 0.037 0.000 0.979 406 A HN 1.381 nan 8.150 nan 0.000 0.508 407 G N 2.103 110.838 108.800 -0.108 0.000 2.199 407 G HA2 -0.362 3.593 3.960 -0.008 0.000 0.254 407 G HA3 -0.362 3.593 3.960 -0.008 0.000 0.254 407 G C 1.040 175.901 174.900 -0.064 0.000 0.982 407 G CA 1.008 46.082 45.100 -0.044 0.000 0.632 407 G HN 1.367 nan 8.290 nan 0.000 0.529 408 K N -0.212 120.098 120.400 -0.149 0.000 2.217 408 K HA 0.060 4.375 4.320 -0.008 0.000 0.202 408 K C 0.733 177.324 176.600 -0.015 0.000 1.051 408 K CA 1.145 57.374 56.287 -0.096 0.000 0.952 408 K CB 0.007 32.415 32.500 -0.152 0.000 0.736 408 K HN 0.382 nan 8.250 nan 0.000 0.453 409 N N 0.268 118.956 118.700 -0.020 0.000 2.402 409 N HA 0.126 4.861 4.740 -0.008 0.000 0.294 409 N C -1.557 173.979 175.510 0.044 0.000 1.203 409 N CA -0.645 52.395 53.050 -0.018 0.000 0.838 409 N CB 1.993 40.425 38.487 -0.091 0.000 1.306 409 N HN 0.053 nan 8.380 nan 0.000 0.510 410 S N 0.164 115.835 115.700 -0.048 0.000 2.498 410 S HA 0.583 5.049 4.470 -0.008 0.000 0.317 410 S C -1.744 172.839 174.600 -0.028 0.000 1.090 410 S CA -0.695 57.529 58.200 0.041 0.000 1.089 410 S CB 0.085 63.297 63.200 0.020 0.000 0.997 410 S HN 0.389 nan 8.310 nan 0.000 0.470 411 W N 2.879 124.198 121.300 0.033 0.000 2.471 411 W HA 0.539 5.194 4.660 -0.007 0.000 0.318 411 W C -0.265 176.295 176.519 0.069 0.000 1.034 411 W CA -0.458 56.920 57.345 0.055 0.000 1.224 411 W CB 1.877 31.356 29.460 0.032 0.000 1.335 411 W HN 0.433 nan 8.180 nan 0.000 0.452 412 T N 1.583 116.301 114.554 0.273 0.000 2.971 412 T HA 0.501 4.846 4.350 -0.008 0.000 0.304 412 T C 0.522 175.344 174.700 0.203 0.000 1.038 412 T CA -0.129 62.092 62.100 0.201 0.000 1.007 412 T CB 1.556 70.501 68.868 0.129 0.000 1.055 412 T HN 0.903 nan 8.240 nan 0.000 0.451 413 G N 3.165 112.080 108.800 0.192 0.000 2.148 413 G HA2 -0.241 3.715 3.960 -0.008 0.000 0.254 413 G HA3 -0.241 3.715 3.960 -0.008 0.000 0.254 413 G C 0.083 175.137 174.900 0.257 0.000 0.981 413 G CA -0.369 44.836 45.100 0.176 0.000 0.670 413 G HN 0.688 nan 8.290 nan 0.000 0.528 414 N N -0.645 118.255 118.700 0.334 0.000 2.445 414 N HA 0.514 5.250 4.740 -0.008 0.000 0.264 414 N C -0.120 175.621 175.510 0.385 0.000 1.227 414 N CA 0.163 53.471 53.050 0.430 0.000 0.963 414 N CB 1.850 40.710 38.487 0.621 0.000 1.188 414 N HN 0.110 nan 8.380 nan 0.000 0.491 415 V N 0.089 120.225 119.914 0.370 0.000 2.709 415 V HA 0.691 4.806 4.120 -0.008 0.000 0.308 415 V C -0.599 175.659 176.094 0.274 0.000 1.062 415 V CA -0.844 61.625 62.300 0.282 0.000 0.901 415 V CB 1.578 33.549 31.823 0.246 0.000 1.003 415 V HN 0.827 nan 8.190 nan 0.000 0.425 416 A N 5.859 128.822 122.820 0.238 0.000 2.375 416 A HA 0.965 5.281 4.320 -0.008 0.000 0.295 416 A C -1.118 176.634 177.584 0.281 0.000 1.066 416 A CA -0.464 51.678 52.037 0.176 0.000 0.722 416 A CB 1.355 20.426 19.000 0.119 0.000 1.206 416 A HN 1.430 nan 8.150 nan 0.000 0.435 417 L N 0.159 121.619 121.223 0.396 0.000 2.545 417 L HA 0.935 5.270 4.340 -0.008 0.000 0.258 417 L C 0.221 177.305 176.870 0.357 0.000 0.942 417 L CA 0.027 55.096 54.840 0.381 0.000 0.855 417 L CB 1.954 44.200 42.059 0.312 0.000 1.374 417 L HN 1.738 nan 8.230 nan 0.000 0.411 418 G N 1.364 110.245 108.800 0.135 0.000 2.421 418 G HA2 -0.003 3.952 3.960 -0.008 0.000 0.188 418 G HA3 -0.003 3.952 3.960 -0.008 0.000 0.188 418 G C -0.384 174.377 174.900 -0.233 0.000 1.001 418 G CA 0.226 45.271 45.100 -0.091 0.000 0.693 418 G HN 1.263 nan 8.290 nan 0.000 0.479 419 V N 1.147 120.859 119.914 -0.336 0.000 3.225 419 V HA 0.565 4.680 4.120 -0.008 0.000 0.293 419 V C -0.306 175.566 176.094 -0.370 0.000 1.405 419 V CA -0.094 61.941 62.300 -0.442 0.000 1.038 419 V CB 1.802 33.226 31.823 -0.664 0.000 1.123 419 V HN 0.838 nan 8.190 nan 0.000 0.447 420 E N 3.467 123.513 120.200 -0.256 0.000 2.459 420 E HA 0.030 4.375 4.350 -0.008 0.000 0.264 420 E C 0.102 176.605 176.600 -0.160 0.000 1.055 420 E CA 0.013 56.319 56.400 -0.158 0.000 0.957 420 E CB 0.705 30.329 29.700 -0.128 0.000 0.952 420 E HN 0.614 nan 8.360 nan 0.000 0.448 421 K N 1.001 121.383 120.400 -0.031 0.000 2.167 421 K HA -0.008 4.307 4.320 -0.008 0.000 0.203 421 K C 1.303 177.950 176.600 0.077 0.000 1.052 421 K CA 0.853 57.190 56.287 0.082 0.000 0.956 421 K CB -0.175 32.406 32.500 0.134 0.000 0.735 421 K HN 0.882 nan 8.250 nan 0.000 0.451 422 G N 1.566 110.361 108.800 -0.008 0.000 2.199 422 G HA2 -0.256 3.699 3.960 -0.008 0.000 0.254 422 G HA3 -0.256 3.699 3.960 -0.008 0.000 0.254 422 G C 0.211 175.073 174.900 -0.063 0.000 0.982 422 G CA 0.579 45.673 45.100 -0.009 0.000 0.632 422 G HN 0.409 nan 8.290 nan 0.000 0.529 423 I N -2.967 117.528 120.570 -0.124 0.000 2.969 423 I HA 0.714 4.879 4.170 -0.008 0.000 0.307 423 I C -2.685 173.111 176.117 -0.535 0.000 1.149 423 I CA -3.209 57.849 61.300 -0.404 0.000 1.008 423 I CB 2.137 39.878 38.000 -0.431 0.000 1.232 423 I HN -0.149 nan 8.210 nan 0.000 0.435 424 P HA 0.319 nan 4.420 nan 0.000 0.238 424 P C -0.855 176.145 177.300 -0.501 0.000 1.794 424 P CA -0.109 62.641 63.100 -0.584 0.000 1.088 424 P CB 0.255 31.621 31.700 -0.557 0.000 1.923 425 V N 2.365 122.013 119.914 -0.443 0.000 2.638 425 V HA 0.318 4.433 4.120 -0.008 0.000 0.306 425 V C 0.093 175.992 176.094 -0.325 0.000 1.052 425 V CA -0.838 61.194 62.300 -0.446 0.000 0.885 425 V CB 2.348 33.624 31.823 -0.911 0.000 0.999 425 V HN 0.199 nan 8.190 nan 0.000 0.424 426 N N 4.489 123.061 118.700 -0.213 0.000 2.411 426 N HA 0.492 5.227 4.740 -0.008 0.000 0.259 426 N C -1.020 174.433 175.510 -0.095 0.000 1.103 426 N CA 0.090 53.069 53.050 -0.117 0.000 0.954 426 N CB 0.348 38.801 38.487 -0.058 0.000 1.085 426 N HN 0.626 nan 8.380 nan 0.000 0.485 427 I N 1.261 121.800 120.570 -0.051 0.000 2.582 427 I HA 0.230 4.395 4.170 -0.008 0.000 0.292 427 I C 0.268 176.433 176.117 0.081 0.000 1.066 427 I CA -1.159 60.160 61.300 0.032 0.000 1.053 427 I CB 1.903 39.930 38.000 0.044 0.000 1.241 427 I HN 0.437 nan 8.210 nan 0.000 0.421 428 S N 3.485 119.255 115.700 0.117 0.000 2.563 428 S HA 0.225 4.690 4.470 -0.008 0.000 0.284 428 S C 0.763 175.447 174.600 0.141 0.000 1.331 428 S CA 0.287 58.560 58.200 0.121 0.000 1.047 428 S CB 0.850 64.132 63.200 0.135 0.000 0.859 428 S HN 0.757 nan 8.310 nan 0.000 0.514 429 A N 3.942 126.837 122.820 0.125 0.000 2.535 429 A HA 0.306 4.622 4.320 -0.008 0.000 0.273 429 A C 0.512 178.182 177.584 0.143 0.000 1.267 429 A CA -0.430 51.693 52.037 0.143 0.000 0.940 429 A CB -0.274 18.799 19.000 0.123 0.000 1.101 429 A HN 0.741 nan 8.150 nan 0.000 0.521 430 N N 1.138 119.921 118.700 0.137 0.000 2.602 430 N HA 0.111 4.847 4.740 -0.008 0.000 0.238 430 N C 0.855 176.454 175.510 0.148 0.000 1.084 430 N CA -0.168 52.958 53.050 0.125 0.000 0.952 430 N CB 0.210 38.761 38.487 0.107 0.000 1.244 430 N HN 0.440 nan 8.380 nan 0.000 0.512 431 R N 1.542 122.126 120.500 0.140 0.000 2.092 431 R HA -0.033 4.302 4.340 -0.008 0.000 0.231 431 R C 1.226 177.608 176.300 0.137 0.000 1.119 431 R CA 1.243 57.422 56.100 0.132 0.000 0.970 431 R CB 0.188 30.529 30.300 0.068 0.000 0.864 431 R HN 0.398 nan 8.270 nan 0.000 0.440 432 S N 0.164 115.925 115.700 0.102 0.000 2.399 432 S HA -0.107 4.358 4.470 -0.008 0.000 0.231 432 S C 1.661 176.316 174.600 0.091 0.000 1.022 432 S CA 1.165 59.415 58.200 0.084 0.000 0.983 432 S CB 0.055 63.293 63.200 0.063 0.000 0.803 432 S HN 0.516 nan 8.310 nan 0.000 0.480 433 A N 0.015 122.898 122.820 0.104 0.000 2.251 433 A HA 0.226 4.541 4.320 -0.008 0.000 0.209 433 A C 0.512 178.150 177.584 0.091 0.000 1.187 433 A CA -0.299 51.788 52.037 0.083 0.000 0.823 433 A CB -0.454 18.593 19.000 0.078 0.000 0.846 433 A HN 0.473 nan 8.150 nan 0.000 0.486 434 Y N 1.584 121.911 120.300 0.044 0.000 2.632 434 Y HA 0.356 4.902 4.550 -0.008 0.000 0.329 434 Y C -0.120 175.802 175.900 0.037 0.000 1.174 434 Y CA 0.386 58.513 58.100 0.046 0.000 1.469 434 Y CB 0.150 38.635 38.460 0.041 0.000 1.242 434 Y HN 0.137 nan 8.280 nan 0.000 0.540 435 K N 7.844 127.673 120.400 -0.952 0.000 2.501 435 K HA 0.382 4.697 4.320 -0.008 0.000 0.252 435 K C -2.721 173.369 176.600 -0.851 0.000 0.934 435 K CA -1.992 53.839 56.287 -0.762 0.000 0.797 435 K CB 1.759 34.084 32.500 -0.291 0.000 1.270 435 K HN 0.393 nan 8.250 nan 0.000 0.431 436 P HA -0.015 nan 4.420 nan 0.000 0.268 436 P C -0.442 176.786 177.300 -0.121 0.000 1.208 436 P CA -0.335 62.646 63.100 -0.200 0.000 0.777 436 P CB 0.525 32.203 31.700 -0.037 0.000 0.875 437 V N 2.851 122.740 119.914 -0.041 0.000 2.686 437 V HA 0.179 4.294 4.120 -0.008 0.000 0.295 437 V C 0.800 176.894 176.094 0.000 0.000 1.057 437 V CA -0.426 61.865 62.300 -0.015 0.000 1.012 437 V CB 0.762 32.596 31.823 0.018 0.000 1.006 437 V HN 0.423 nan 8.190 nan 0.000 0.477 438 K N 3.792 124.192 120.400 0.000 0.000 2.298 438 K HA 0.487 4.803 4.320 -0.008 0.000 0.280 438 K C -0.671 175.938 176.600 0.016 0.000 1.032 438 K CA 0.068 56.360 56.287 0.008 0.000 0.958 438 K CB 0.330 32.833 32.500 0.004 0.000 0.978 438 K HN 0.396 nan 8.250 nan 0.000 0.472 439 I N 3.262 123.844 120.570 0.019 0.000 2.533 439 I HA 0.238 4.404 4.170 -0.008 0.000 0.290 439 I C 0.157 176.285 176.117 0.019 0.000 1.056 439 I CA -0.531 60.782 61.300 0.022 0.000 1.057 439 I CB 2.028 40.047 38.000 0.031 0.000 1.240 439 I HN 0.616 nan 8.210 nan 0.000 0.423 440 K N 2.243 122.653 120.400 0.017 0.000 2.517 440 K HA 0.077 4.392 4.320 -0.008 0.000 0.210 440 K C 0.596 177.204 176.600 0.014 0.000 1.166 440 K CA -0.020 56.276 56.287 0.014 0.000 1.030 440 K CB 0.759 33.266 32.500 0.011 0.000 0.974 440 K HN 0.599 nan 8.250 nan 0.000 0.585 441 D N 0.332 120.741 120.400 0.015 0.000 2.369 441 D HA 0.001 4.636 4.640 -0.008 0.000 0.211 441 D C 0.219 176.528 176.300 0.015 0.000 1.077 441 D CA -0.084 53.923 54.000 0.012 0.000 0.842 441 D CB 0.362 41.167 40.800 0.007 0.000 0.947 441 D HN -0.044 nan 8.370 nan 0.000 0.509 442 I N 2.267 122.852 120.570 0.024 0.000 2.396 442 I HA 0.087 4.252 4.170 -0.008 0.000 0.289 442 I C 0.724 176.866 176.117 0.042 0.000 1.056 442 I CA -0.361 60.962 61.300 0.039 0.000 1.365 442 I CB 0.807 38.837 38.000 0.049 0.000 1.407 442 I HN -0.092 nan 8.210 nan 0.000 0.509 443 Q N 7.856 127.690 119.800 0.056 0.000 2.314 443 Q HA 0.302 4.637 4.340 -0.008 0.000 0.258 443 Q C -1.935 174.107 176.000 0.071 0.000 0.954 443 Q CA -1.406 54.432 55.803 0.059 0.000 0.890 443 Q CB 0.553 29.328 28.738 0.061 0.000 1.210 443 Q HN 0.405 nan 8.270 nan 0.000 0.410 444 P HA 0.199 nan 4.420 nan 0.000 0.274 444 P C -0.310 177.005 177.300 0.026 0.000 1.256 444 P CA -0.420 62.693 63.100 0.022 0.000 0.795 444 P CB 0.834 32.540 31.700 0.009 0.000 1.038 445 I N 0.799 121.364 120.570 -0.008 0.000 2.325 445 I HA 0.136 4.302 4.170 -0.008 0.000 0.291 445 I C 1.155 177.287 176.117 0.025 0.000 1.019 445 I CA -0.627 60.661 61.300 -0.019 0.000 1.302 445 I CB -0.140 37.809 38.000 -0.085 0.000 1.401 445 I HN 0.479 nan 8.210 nan 0.000 0.485 446 E N 5.001 125.234 120.200 0.056 0.000 2.608 446 E HA -0.021 4.324 4.350 -0.008 0.000 0.259 446 E C 1.124 177.817 176.600 0.156 0.000 0.951 446 E CA 1.178 57.632 56.400 0.089 0.000 0.945 446 E CB 0.547 30.310 29.700 0.106 0.000 0.916 446 E HN 0.925 nan 8.360 nan 0.000 0.477 447 G N 4.111 112.965 108.800 0.091 0.000 2.176 447 G HA2 -0.264 3.692 3.960 -0.008 0.000 0.253 447 G HA3 -0.264 3.692 3.960 -0.008 0.000 0.253 447 G C 0.356 175.314 174.900 0.097 0.000 0.979 447 G CA 0.296 45.440 45.100 0.072 0.000 0.641 447 G HN 0.527 nan 8.290 nan 0.000 0.530 448 I N 1.217 121.827 120.570 0.066 0.000 2.382 448 I HA 0.561 4.727 4.170 -0.008 0.000 0.286 448 I C 0.830 176.950 176.117 0.005 0.000 1.002 448 I CA -0.495 60.825 61.300 0.034 0.000 1.135 448 I CB 1.913 39.916 38.000 0.006 0.000 1.288 448 I HN 0.164 nan 8.210 nan 0.000 0.448 449 A N 8.493 131.316 122.820 0.005 0.000 3.074 449 A HA 0.504 4.820 4.320 -0.008 0.000 0.251 449 A C -0.145 177.417 177.584 -0.036 0.000 1.695 449 A CA 0.110 52.142 52.037 -0.008 0.000 1.343 449 A CB -0.682 18.321 19.000 0.005 0.000 1.078 449 A HN 0.627 nan 8.150 nan 0.000 0.644 450 L N -0.011 121.175 121.223 -0.062 0.000 2.365 450 L HA 0.366 4.702 4.340 -0.008 0.000 0.273 450 L C -0.575 176.242 176.870 -0.089 0.000 1.000 450 L CA -0.939 53.831 54.840 -0.116 0.000 0.819 450 L CB 2.134 44.071 42.059 -0.204 0.000 1.284 450 L HN 0.220 nan 8.230 nan 0.000 0.418 451 D N 3.157 123.505 120.400 -0.087 0.000 2.441 451 D HA 0.202 4.837 4.640 -0.008 0.000 0.221 451 D C 0.933 177.198 176.300 -0.059 0.000 1.156 451 D CA -0.101 53.867 54.000 -0.054 0.000 0.896 451 D CB 0.947 41.725 40.800 -0.037 0.000 1.028 451 D HN 0.422 nan 8.370 nan 0.000 0.509 452 L N 2.883 124.081 121.223 -0.042 0.000 2.046 452 L HA -0.151 4.185 4.340 -0.008 0.000 0.208 452 L C 2.019 178.888 176.870 -0.002 0.000 1.077 452 L CA 0.572 55.396 54.840 -0.027 0.000 0.747 452 L CB -0.397 41.661 42.059 -0.001 0.000 0.896 452 L HN 0.348 nan 8.230 nan 0.000 0.432 453 N N 0.694 119.397 118.700 0.005 0.000 2.104 453 N HA -0.180 4.556 4.740 -0.008 0.000 0.190 453 N C 1.921 177.437 175.510 0.010 0.000 1.024 453 N CA 1.704 54.762 53.050 0.012 0.000 0.853 453 N CB -0.210 38.284 38.487 0.012 0.000 1.008 453 N HN 0.341 nan 8.380 nan 0.000 0.424 454 A N 1.447 124.267 122.820 0.000 0.000 1.873 454 A HA -0.033 4.282 4.320 -0.008 0.000 0.215 454 A C 2.443 180.033 177.584 0.011 0.000 1.186 454 A CA 0.889 52.928 52.037 0.003 0.000 0.616 454 A CB -0.713 18.284 19.000 -0.004 0.000 0.823 454 A HN 0.182 nan 8.150 nan 0.000 0.442 455 L N -0.659 120.562 121.223 -0.002 0.000 2.093 455 L HA -0.137 4.199 4.340 -0.008 0.000 0.208 455 L C 2.423 179.325 176.870 0.053 0.000 1.085 455 L CA 1.078 55.930 54.840 0.021 0.000 0.755 455 L CB -0.491 41.544 42.059 -0.041 0.000 0.904 455 L HN 0.358 nan 8.230 nan 0.000 0.435 456 I N -0.871 119.725 120.570 0.043 0.000 2.252 456 I HA -0.234 3.931 4.170 -0.008 0.000 0.245 456 I C 2.434 178.579 176.117 0.047 0.000 1.102 456 I CA 1.072 62.405 61.300 0.056 0.000 1.385 456 I CB -0.216 37.816 38.000 0.054 0.000 1.064 456 I HN 0.123 nan 8.210 nan 0.000 0.414 457 S N 0.085 115.806 115.700 0.035 0.000 2.481 457 S HA -0.111 4.355 4.470 -0.008 0.000 0.231 457 S C 1.902 176.518 174.600 0.026 0.000 0.996 457 S CA 0.795 59.010 58.200 0.026 0.000 0.942 457 S CB -0.134 63.077 63.200 0.018 0.000 0.768 457 S HN 0.329 nan 8.310 nan 0.000 0.520 458 K N 0.765 121.188 120.400 0.037 0.000 2.288 458 K HA 0.104 4.419 4.320 -0.008 0.000 0.201 458 K C 1.209 177.839 176.600 0.050 0.000 1.048 458 K CA 0.535 56.847 56.287 0.043 0.000 0.956 458 K CB -0.111 32.422 32.500 0.055 0.000 0.746 458 K HN 0.409 nan 8.250 nan 0.000 0.461 459 G N 0.824 109.659 108.800 0.057 0.000 2.632 459 G HA2 -0.272 3.684 3.960 -0.008 0.000 0.224 459 G HA3 -0.272 3.684 3.960 -0.008 0.000 0.224 459 G C -0.391 174.553 174.900 0.073 0.000 1.341 459 G CA -0.443 44.700 45.100 0.071 0.000 0.880 459 G HN 0.161 nan 8.290 nan 0.000 0.566 460 I N 2.293 122.908 120.570 0.075 0.000 2.379 460 I HA 0.411 4.577 4.170 -0.008 0.000 0.290 460 I C 1.261 177.425 176.117 0.078 0.000 1.063 460 I CA 0.330 61.654 61.300 0.041 0.000 1.351 460 I CB 0.882 38.903 38.000 0.035 0.000 1.410 460 I HN 0.812 nan 8.210 nan 0.000 0.505 461 T N 2.376 116.986 114.554 0.092 0.000 2.945 461 T HA 0.801 5.146 4.350 -0.008 0.000 0.286 461 T C 0.411 175.220 174.700 0.182 0.000 1.025 461 T CA 0.044 62.214 62.100 0.116 0.000 1.039 461 T CB 1.923 70.856 68.868 0.108 0.000 1.068 461 T HN 1.041 nan 8.240 nan 0.000 0.497 462 G N 1.463 110.332 108.800 0.115 0.000 2.598 462 G HA2 0.029 3.984 3.960 -0.008 0.000 0.244 462 G HA3 0.029 3.984 3.960 -0.008 0.000 0.244 462 G C -0.576 174.311 174.900 -0.022 0.000 1.302 462 G CA 0.226 45.358 45.100 0.053 0.000 0.903 462 G HN 1.418 nan 8.290 nan 0.000 0.575 463 K N -1.670 118.510 120.400 -0.365 0.000 2.571 463 K HA 0.671 4.986 4.320 -0.008 0.000 0.289 463 K C -3.341 172.479 176.600 -1.300 0.000 1.028 463 K CA -1.648 54.099 56.287 -0.900 0.000 0.895 463 K CB 1.238 33.467 32.500 -0.452 0.000 1.534 463 K HN 0.445 nan 8.250 nan 0.000 0.421 464 P HA 0.016 nan 4.420 nan 0.000 0.264 464 P C -0.731 176.327 177.300 -0.402 0.000 1.183 464 P CA 0.005 62.641 63.100 -0.773 0.000 0.763 464 P CB 0.319 31.744 31.700 -0.458 0.000 0.807 465 L N 1.932 122.997 121.223 -0.263 0.000 2.417 465 L HA 0.252 4.587 4.340 -0.008 0.000 0.268 465 L C 1.066 177.891 176.870 -0.075 0.000 1.158 465 L CA 0.014 54.765 54.840 -0.149 0.000 0.819 465 L CB 0.499 42.490 42.059 -0.113 0.000 1.112 465 L HN 0.471 nan 8.230 nan 0.000 0.458 466 S N 1.226 116.895 115.700 -0.052 0.000 2.681 466 S HA 0.158 4.623 4.470 -0.008 0.000 0.299 466 S C 0.745 175.365 174.600 0.034 0.000 1.113 466 S CA -0.892 57.312 58.200 0.008 0.000 1.013 466 S CB 1.160 64.352 63.200 -0.012 0.000 1.076 466 S HN 0.891 nan 8.310 nan 0.000 0.534 467 W N 1.709 122.934 121.300 -0.125 0.000 2.305 467 W HA -0.227 4.429 4.660 -0.008 0.000 0.308 467 W C 0.467 176.873 176.519 -0.187 0.000 1.226 467 W CA 2.128 59.332 57.345 -0.235 0.000 1.253 467 W CB -0.531 28.717 29.460 -0.353 0.000 1.146 467 W HN 0.735 nan 8.180 nan 0.000 0.507 468 D N 0.335 120.562 120.400 -0.290 0.000 2.263 468 D HA -0.149 4.487 4.640 -0.008 0.000 0.208 468 D C 1.674 177.785 176.300 -0.315 0.000 0.971 468 D CA 1.344 55.112 54.000 -0.386 0.000 0.867 468 D CB -0.269 40.432 40.800 -0.165 0.000 0.929 468 D HN 0.495 nan 8.370 nan 0.000 0.492 469 E N -0.234 119.839 120.200 -0.213 0.000 2.442 469 E HA -0.044 4.302 4.350 -0.008 0.000 0.195 469 E C 1.922 178.473 176.600 -0.080 0.000 1.030 469 E CA 0.186 56.515 56.400 -0.119 0.000 0.869 469 E CB 0.662 30.324 29.700 -0.064 0.000 0.857 469 E HN 0.218 nan 8.360 nan 0.000 0.505 470 V N -1.174 118.612 119.914 -0.213 0.000 3.612 470 V HA 0.177 4.293 4.120 -0.008 0.000 0.268 470 V C 0.816 176.690 176.094 -0.367 0.000 1.365 470 V CA -0.541 61.658 62.300 -0.168 0.000 1.044 470 V CB -0.272 31.479 31.823 -0.119 0.000 0.820 470 V HN 0.036 nan 8.190 nan 0.000 0.444 471 R N 1.518 121.532 120.500 -0.809 0.000 2.756 471 R HA 0.288 4.623 4.340 -0.008 0.000 0.264 471 R C -2.500 173.413 176.300 -0.645 0.000 1.026 471 R CA -1.054 54.327 56.100 -1.199 0.000 1.121 471 R CB -1.246 27.869 30.300 -1.974 0.000 0.999 471 R HN 0.180 nan 8.270 nan 0.000 0.449 472 P HA -0.121 nan 4.420 nan 0.000 0.265 472 P C -0.208 176.643 177.300 -0.749 0.000 1.187 472 P CA 0.172 62.820 63.100 -0.754 0.000 0.766 472 P CB 0.108 31.027 31.700 -1.301 0.000 0.820 473 Y N 2.631 122.700 120.300 -0.384 0.000 2.315 473 Y HA -0.141 4.405 4.550 -0.008 0.000 0.288 473 Y C 1.543 177.368 175.900 -0.125 0.000 1.154 473 Y CA 0.773 58.738 58.100 -0.226 0.000 1.229 473 Y CB -1.302 37.083 38.460 -0.126 0.000 0.980 473 Y HN 0.500 nan 8.280 nan 0.000 0.540 474 W N 0.302 121.318 121.300 -0.473 0.000 3.290 474 W HA 0.387 5.043 4.660 -0.008 0.000 0.287 474 W C -0.444 176.002 176.519 -0.122 0.000 1.288 474 W CA -0.433 56.771 57.345 -0.236 0.000 1.725 474 W CB -0.305 28.925 29.460 -0.383 0.000 1.103 474 W HN 0.030 nan 8.180 nan 0.000 0.670 475 L N 2.927 123.836 121.223 -0.523 0.000 2.318 475 L HA 0.249 4.584 4.340 -0.008 0.000 0.277 475 L C 0.949 177.737 176.870 -0.138 0.000 1.008 475 L CA -0.206 54.389 54.840 -0.408 0.000 0.846 475 L CB 1.868 43.390 42.059 -0.895 0.000 1.220 475 L HN -0.184 nan 8.230 nan 0.000 0.423 476 K N 2.092 122.513 120.400 0.036 0.000 2.128 476 K HA 0.088 4.404 4.320 -0.008 0.000 0.202 476 K C -0.052 176.702 176.600 0.255 0.000 1.050 476 K CA 0.531 56.877 56.287 0.097 0.000 0.966 476 K CB 0.338 32.883 32.500 0.076 0.000 0.759 476 K HN 0.568 nan 8.250 nan 0.000 0.454 477 E N 1.710 122.010 120.200 0.168 0.000 2.229 477 E HA 0.068 4.413 4.350 -0.008 0.000 0.283 477 E C -0.553 175.978 176.600 -0.115 0.000 1.030 477 E CA -0.305 56.130 56.400 0.059 0.000 0.836 477 E CB 1.099 30.825 29.700 0.043 0.000 1.068 477 E HN 0.123 nan 8.360 nan 0.000 0.401 478 M N 5.308 124.533 119.600 -0.626 0.000 2.327 478 M HA 0.076 4.551 4.480 -0.008 0.000 0.353 478 M C -2.204 173.730 176.300 -0.609 0.000 1.539 478 M CA -0.973 53.513 55.300 -1.357 0.000 1.039 478 M CB 0.350 31.886 32.600 -1.772 0.000 1.967 478 M HN 0.244 nan 8.290 nan 0.000 0.459 479 P HA 0.668 nan 4.420 nan 0.000 0.279 479 P C -0.458 176.794 177.300 -0.081 0.000 1.276 479 P CA -0.000 63.013 63.100 -0.145 0.000 0.801 479 P CB 0.659 32.281 31.700 -0.130 0.000 1.127 480 G N -0.870 107.953 108.800 0.038 0.000 2.699 480 G HA2 -0.008 3.947 3.960 -0.008 0.000 0.686 480 G HA3 -0.008 3.947 3.960 -0.008 0.000 0.686 480 G C 0.390 175.334 174.900 0.073 0.000 1.301 480 G CA 0.013 45.163 45.100 0.084 0.000 0.816 480 G HN 0.771 nan 8.290 nan 0.000 0.595 481 T N -3.243 111.377 114.554 0.110 0.000 2.971 481 T HA 0.205 4.551 4.350 -0.008 0.000 0.252 481 T C 1.667 176.451 174.700 0.140 0.000 1.022 481 T CA 1.495 63.657 62.100 0.103 0.000 0.980 481 T CB 0.218 69.146 68.868 0.101 0.000 1.044 481 T HN 0.952 nan 8.240 nan 0.000 0.501 482 Y N 1.946 122.267 120.300 0.035 0.000 2.397 482 Y HA 0.540 5.086 4.550 -0.007 0.000 0.292 482 Y C 2.610 178.551 175.900 0.068 0.000 1.115 482 Y CA 0.319 58.446 58.100 0.046 0.000 1.208 482 Y CB -0.410 38.061 38.460 0.017 0.000 1.046 482 Y HN 0.272 nan 8.280 nan 0.000 0.552 483 A N 0.381 123.283 122.820 0.137 0.000 1.877 483 A HA -0.152 4.164 4.320 -0.008 0.000 0.216 483 A C 1.993 179.579 177.584 0.003 0.000 1.186 483 A CA 1.946 54.045 52.037 0.103 0.000 0.620 483 A CB -1.051 18.095 19.000 0.244 0.000 0.822 483 A HN 0.490 nan 8.150 nan 0.000 0.443 484 L N -0.462 120.751 121.223 -0.016 0.000 2.554 484 L HA 0.017 4.352 4.340 -0.008 0.000 0.226 484 L C 2.098 178.940 176.870 -0.047 0.000 1.137 484 L CA 1.307 56.128 54.840 -0.032 0.000 0.863 484 L CB -0.184 41.852 42.059 -0.040 0.000 0.985 484 L HN 0.673 nan 8.230 nan 0.000 0.451 485 T N -5.568 108.934 114.554 -0.087 0.000 2.992 485 T HA 0.352 4.697 4.350 -0.008 0.000 0.255 485 T C 1.130 175.761 174.700 -0.116 0.000 0.938 485 T CA 0.462 62.521 62.100 -0.068 0.000 0.895 485 T CB 0.717 69.570 68.868 -0.024 0.000 1.221 485 T HN 0.116 nan 8.240 nan 0.000 0.512 486 A N 2.038 124.648 122.820 -0.351 0.000 2.847 486 A HA -0.162 4.153 4.320 -0.008 0.000 0.263 486 A C 0.534 178.044 177.584 -0.123 0.000 1.391 486 A CA 1.336 53.066 52.037 -0.513 0.000 0.866 486 A CB -2.389 16.650 19.000 0.064 0.000 1.057 486 A HN 1.132 nan 8.150 nan 0.000 0.673 487 R N -0.893 119.609 120.500 0.003 0.000 2.584 487 R HA 0.717 5.052 4.340 -0.008 0.000 0.276 487 R C -0.775 175.692 176.300 0.278 0.000 1.046 487 R CA -1.038 55.206 56.100 0.239 0.000 0.906 487 R CB 0.868 31.258 30.300 0.150 0.000 1.215 487 R HN 0.339 nan 8.270 nan 0.000 0.449 488 L N 2.616 124.016 121.223 0.295 0.000 2.439 488 L HA 0.161 4.497 4.340 -0.008 0.000 0.269 488 L C 0.989 177.939 176.870 0.134 0.000 1.179 488 L CA -0.282 54.669 54.840 0.185 0.000 0.828 488 L CB 1.129 43.250 42.059 0.105 0.000 1.106 488 L HN 0.906 nan 8.230 nan 0.000 0.467 489 S N 1.516 117.278 115.700 0.103 0.000 2.580 489 S HA 0.135 4.601 4.470 -0.008 0.000 0.266 489 S C 1.152 175.799 174.600 0.078 0.000 1.354 489 S CA -0.170 58.077 58.200 0.079 0.000 1.008 489 S CB 1.166 64.405 63.200 0.064 0.000 0.898 489 S HN 0.712 nan 8.310 nan 0.000 0.555 490 A N 1.785 124.644 122.820 0.066 0.000 1.883 490 A HA -0.188 4.128 4.320 -0.008 0.000 0.217 490 A C 1.956 179.579 177.584 0.065 0.000 1.186 490 A CA 1.863 53.938 52.037 0.065 0.000 0.624 490 A CB -1.300 17.730 19.000 0.050 0.000 0.822 490 A HN 1.010 nan 8.150 nan 0.000 0.444 491 D N -0.253 120.179 120.400 0.054 0.000 2.117 491 D HA -0.204 4.432 4.640 -0.008 0.000 0.197 491 D C 1.927 178.264 176.300 0.061 0.000 0.987 491 D CA 1.498 55.528 54.000 0.050 0.000 0.829 491 D CB -0.678 40.142 40.800 0.035 0.000 0.961 491 D HN 0.529 nan 8.370 nan 0.000 0.460 492 R N 0.609 121.148 120.500 0.064 0.000 2.092 492 R HA 0.107 4.442 4.340 -0.008 0.000 0.231 492 R C 2.580 178.942 176.300 0.103 0.000 1.119 492 R CA 1.199 57.339 56.100 0.066 0.000 0.970 492 R CB -0.402 29.925 30.300 0.045 0.000 0.864 492 R HN 0.262 nan 8.270 nan 0.000 0.440 493 A N 1.419 124.312 122.820 0.122 0.000 1.940 493 A HA -0.157 4.158 4.320 -0.008 0.000 0.219 493 A C 2.372 180.060 177.584 0.173 0.000 1.176 493 A CA 1.791 53.937 52.037 0.182 0.000 0.631 493 A CB -0.625 18.467 19.000 0.153 0.000 0.814 493 A HN 0.401 nan 8.150 nan 0.000 0.446 494 A N -0.233 122.658 122.820 0.118 0.000 1.898 494 A HA -0.149 4.167 4.320 -0.008 0.000 0.216 494 A C 2.108 179.758 177.584 0.109 0.000 1.181 494 A CA 1.789 53.883 52.037 0.096 0.000 0.620 494 A CB -0.417 18.624 19.000 0.069 0.000 0.819 494 A HN 0.551 nan 8.150 nan 0.000 0.442 495 K N -1.506 118.965 120.400 0.118 0.000 2.057 495 K HA -0.107 4.208 4.320 -0.008 0.000 0.207 495 K C 1.801 178.521 176.600 0.200 0.000 1.049 495 K CA 1.435 57.798 56.287 0.127 0.000 0.931 495 K CB -0.345 32.215 32.500 0.100 0.000 0.714 495 K HN 0.427 nan 8.250 nan 0.000 0.440 496 F N 2.686 122.647 119.950 0.018 0.000 2.095 496 F HA -0.182 4.340 4.527 -0.008 0.000 0.298 496 F C 1.777 177.587 175.800 0.016 0.000 1.104 496 F CA 1.478 59.477 58.000 -0.003 0.000 1.232 496 F CB -0.202 38.785 39.000 -0.021 0.000 0.987 496 F HN -0.109 nan 8.300 nan 0.000 0.475 497 K N -0.211 120.232 120.400 0.071 0.000 2.063 497 K HA -0.152 4.163 4.320 -0.008 0.000 0.208 497 K C 2.263 178.863 176.600 -0.001 0.000 1.048 497 K CA 1.314 57.576 56.287 -0.042 0.000 0.928 497 K CB -0.526 31.981 32.500 0.012 0.000 0.713 497 K HN 0.298 nan 8.250 nan 0.000 0.442 498 A N 0.978 123.831 122.820 0.056 0.000 1.930 498 A HA -0.110 4.206 4.320 -0.008 0.000 0.217 498 A C 2.361 179.999 177.584 0.090 0.000 1.175 498 A CA 1.287 53.365 52.037 0.069 0.000 0.627 498 A CB -0.561 18.486 19.000 0.078 0.000 0.815 498 A HN 0.067 nan 8.150 nan 0.000 0.443 499 V N 0.192 120.177 119.914 0.120 0.000 2.295 499 V HA -0.273 3.843 4.120 -0.008 0.000 0.246 499 V C 2.418 178.630 176.094 0.197 0.000 1.049 499 V CA 2.098 64.504 62.300 0.177 0.000 1.024 499 V CB -0.657 31.299 31.823 0.222 0.000 0.648 499 V HN 0.578 nan 8.190 nan 0.000 0.447 500 I N -0.203 120.407 120.570 0.067 0.000 2.226 500 I HA -0.269 3.896 4.170 -0.008 0.000 0.245 500 I C 2.568 178.735 176.117 0.084 0.000 1.100 500 I CA 1.801 63.149 61.300 0.080 0.000 1.374 500 I CB -0.378 37.513 38.000 -0.182 0.000 1.057 500 I HN 0.280 nan 8.210 nan 0.000 0.413 501 K N 1.740 122.167 120.400 0.045 0.000 2.057 501 K HA -0.207 4.109 4.320 -0.008 0.000 0.207 501 K C 2.241 178.883 176.600 0.069 0.000 1.049 501 K CA 1.600 57.915 56.287 0.047 0.000 0.931 501 K CB -0.080 32.444 32.500 0.039 0.000 0.714 501 K HN 0.330 nan 8.250 nan 0.000 0.440 502 R N -0.216 120.335 120.500 0.085 0.000 2.307 502 R HA -0.005 4.331 4.340 -0.008 0.000 0.199 502 R C 1.550 177.881 176.300 0.053 0.000 1.000 502 R CA 1.273 57.420 56.100 0.080 0.000 1.023 502 R CB -0.322 30.029 30.300 0.086 0.000 0.908 502 R HN 0.185 nan 8.270 nan 0.000 0.473 503 N N 1.250 119.977 118.700 0.044 0.000 2.299 503 N HA -0.016 4.720 4.740 -0.008 0.000 0.187 503 N C -0.379 175.078 175.510 -0.089 0.000 1.099 503 N CA 0.005 53.015 53.050 -0.067 0.000 0.867 503 N CB 0.452 38.823 38.487 -0.194 0.000 0.974 503 N HN 0.428 nan 8.380 nan 0.000 0.477 504 K N 0.074 120.465 120.400 -0.016 0.000 2.354 504 K HA 0.266 4.582 4.320 -0.008 0.000 0.238 504 K C -0.128 176.484 176.600 0.019 0.000 1.068 504 K CA -0.806 55.474 56.287 -0.012 0.000 0.925 504 K CB 1.048 33.550 32.500 0.004 0.000 1.286 504 K HN -0.157 nan 8.250 nan 0.000 0.500 505 E N 1.070 121.283 120.200 0.021 0.000 2.442 505 E HA -0.129 4.216 4.350 -0.008 0.000 0.262 505 E C -0.390 176.266 176.600 0.093 0.000 1.004 505 E CA -0.025 56.402 56.400 0.046 0.000 0.928 505 E CB 0.419 30.135 29.700 0.027 0.000 0.937 505 E HN 0.548 nan 8.360 nan 0.000 0.446 506 H N 0.000 119.068 119.070 -0.004 0.000 2.539 506 H HA 0.000 4.551 4.556 -0.008 0.000 0.296 506 H CA 0.000 56.048 56.048 0.001 0.000 1.023 506 H CB 0.000 29.763 29.762 0.002 0.000 1.292 506 H HN 0.000 nan 8.280 nan 0.000 0.496