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 3m8b_1_A DATA FIRST_RESID 6 DATA SEQUENCE DTLVXTANRF EQPRSTVLAP TTVVTRQDID RWQSTSVNDV LRRLPGVDIT DATA SEQUENCE QNGGSGQLSS IFIRGTNASH VLVLIDGVRL NLAGVSGSAD LSQFPIALVQ DATA SEQUENCE RVEYIRGPRS AVYGSDAIGG VVNIITTRDE PGTEISAGWG SNSYQNYDVS DATA SEQUENCE TQQQLGDKTR VTLLGDYAHT HGXXXXXXXX XXXXXXXXXX GFLSKTLYGA DATA SEQUENCE LEHNFTDAWS GFVRGYGYDN RTNXXXXXXX XXXXXDTRKL YSQSWDAGLR DATA SEQUENCE YNGELIKSQL ITSYSHSKDY NYXXXXXXXX XXATLDEMKQ YTVQWANNVI DATA SEQUENCE VGHGSIGAGV DWQKQTTTPG TGYVEDGYDQ RNTGIYLTGL QQVGDFTFEG DATA SEQUENCE AARSDDNSQF GRHGTWQTSA GWEFIEGYRF IASYGTSYKA PNLGQLYGFY DATA SEQUENCE GNPNLDPEKS KQWEGAFEGL TAGVNWRISG YRNDVSDLID YDDHTLKYYN DATA SEQUENCE EGKARIKGVE ATANFDTGPL THTVSYDYVD ARNAITDTPL LRRAKQQVKY DATA SEQUENCE QLDWQLYDFD WGITYQYLGT RYDKDYSSYP YQTVKMGGVS LWDLAVAYPV DATA SEQUENCE TSHLTVRGKI ANLFDKDYET VYGYQTAGRE YTLSGSYTF 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.293 176.300 -0.012 0.000 2.045 6 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 6 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 7 T N -1.251 113.298 114.554 -0.009 0.000 12.057 7 T HA -0.304 4.160 4.350 0.190 0.000 0.412 7 T C 0.488 175.186 174.700 -0.004 0.000 1.495 7 T CA 1.344 63.439 62.100 -0.008 0.000 2.454 7 T CB -1.767 67.096 68.868 -0.008 0.000 2.808 7 T HN 0.384 nan 8.240 nan 0.000 0.847 8 L N 3.173 124.394 121.223 -0.002 0.000 2.334 8 L HA 0.802 5.256 4.340 0.190 0.000 0.277 8 L C 0.844 177.718 176.870 0.007 0.000 1.075 8 L CA -0.788 54.055 54.840 0.005 0.000 0.804 8 L CB 1.561 43.624 42.059 0.007 0.000 1.174 8 L HN 0.544 nan 8.230 nan 0.000 0.438 12 A N 2.820 125.690 122.820 0.084 0.000 1.898 12 A HA 0.011 4.444 4.320 0.190 0.000 0.216 12 A C 1.661 179.263 177.584 0.030 0.000 1.181 12 A CA 2.052 54.125 52.037 0.060 0.000 0.620 12 A CB -0.394 18.626 19.000 0.033 0.000 0.819 12 A HN 0.591 nan 8.150 nan 0.000 0.442 13 N N -2.981 115.749 118.700 0.050 0.000 2.241 13 N HA 0.150 5.004 4.740 0.190 0.000 0.238 13 N C 0.322 175.885 175.510 0.089 0.000 1.244 13 N CA 0.213 53.291 53.050 0.046 0.000 0.880 13 N CB 0.201 38.758 38.487 0.116 0.000 1.179 13 N HN 0.458 nan 8.380 nan 0.000 0.513 14 R N -2.013 118.499 120.500 0.020 0.000 3.653 14 R HA -0.159 4.295 4.340 0.190 0.000 0.485 14 R C -1.093 175.013 176.300 -0.324 0.000 0.840 14 R CA 1.216 57.245 56.100 -0.119 0.000 1.409 14 R CB -1.966 28.208 30.300 -0.210 0.000 2.089 14 R HN 0.232 nan 8.270 nan 0.000 0.482 15 F N 0.828 120.811 119.950 0.055 0.000 2.593 15 F HA 0.327 4.967 4.527 0.189 0.000 0.320 15 F C 0.765 176.584 175.800 0.031 0.000 1.060 15 F CA -0.984 57.044 58.000 0.046 0.000 0.940 15 F CB 1.226 40.249 39.000 0.038 0.000 1.268 15 F HN -0.179 nan 8.300 nan 0.000 0.475 16 E N 2.407 122.741 120.200 0.223 0.000 2.493 16 E HA 0.054 4.517 4.350 0.190 0.000 0.255 16 E C -0.681 175.980 176.600 0.102 0.000 0.999 16 E CA 0.220 56.693 56.400 0.121 0.000 0.934 16 E CB 0.491 30.246 29.700 0.091 0.000 0.940 16 E HN 0.520 nan 8.360 nan 0.000 0.473 17 Q N 2.270 122.113 119.800 0.071 0.000 2.462 17 Q HA 0.554 5.007 4.340 0.190 0.000 0.285 17 Q C -2.902 173.117 176.000 0.031 0.000 1.035 17 Q CA -2.532 53.302 55.803 0.051 0.000 0.799 17 Q CB 1.755 30.527 28.738 0.058 0.000 1.452 17 Q HN 0.104 nan 8.270 nan 0.000 0.404 18 P HA 0.110 nan 4.420 nan 0.000 0.271 18 P C -0.104 177.199 177.300 0.004 0.000 1.216 18 P CA -0.148 62.958 63.100 0.010 0.000 0.771 18 P CB 0.633 32.337 31.700 0.007 0.000 0.864 19 R N 1.556 122.054 120.500 -0.003 0.000 2.139 19 R HA -0.144 4.310 4.340 0.190 0.000 0.243 19 R C 1.960 178.246 176.300 -0.023 0.000 1.145 19 R CA 2.086 58.179 56.100 -0.012 0.000 0.976 19 R CB -0.649 29.642 30.300 -0.015 0.000 0.866 19 R HN 0.607 nan 8.270 nan 0.000 0.449 20 S N -1.063 114.620 115.700 -0.027 0.000 2.507 20 S HA -0.078 4.506 4.470 0.190 0.000 0.235 20 S C 1.702 176.282 174.600 -0.034 0.000 0.988 20 S CA 1.327 59.502 58.200 -0.042 0.000 0.944 20 S CB 0.170 63.343 63.200 -0.046 0.000 0.762 20 S HN 0.135 nan 8.310 nan 0.000 0.526 21 T N 1.120 115.664 114.554 -0.016 0.000 3.060 21 T HA 0.320 4.784 4.350 0.190 0.000 0.249 21 T C 0.141 174.840 174.700 -0.002 0.000 1.079 21 T CA -0.035 62.063 62.100 -0.002 0.000 1.013 21 T CB -0.036 68.841 68.868 0.016 0.000 0.975 21 T HN 0.208 nan 8.240 nan 0.000 0.518 22 V N 2.969 122.876 119.914 -0.011 0.000 2.406 22 V HA 0.320 4.553 4.120 0.190 0.000 0.272 22 V C 1.089 177.161 176.094 -0.036 0.000 1.043 22 V CA -0.158 62.133 62.300 -0.015 0.000 0.915 22 V CB 1.446 33.259 31.823 -0.016 0.000 0.988 22 V HN 0.390 nan 8.190 nan 0.000 0.466 23 L N 3.628 124.828 121.223 -0.039 0.000 2.341 23 L HA 0.234 4.688 4.340 0.190 0.000 0.214 23 L C 1.476 178.304 176.870 -0.070 0.000 1.115 23 L CA 0.482 55.287 54.840 -0.059 0.000 0.820 23 L CB -0.085 41.938 42.059 -0.059 0.000 0.944 23 L HN 0.750 nan 8.230 nan 0.000 0.452 24 A N 0.692 123.471 122.820 -0.067 0.000 2.371 24 A HA 0.438 4.872 4.320 0.190 0.000 0.257 24 A C -2.270 175.259 177.584 -0.091 0.000 1.089 24 A CA -1.103 50.884 52.037 -0.084 0.000 0.794 24 A CB -0.280 18.667 19.000 -0.090 0.000 1.029 24 A HN -0.079 nan 8.150 nan 0.000 0.488 25 P HA 0.360 nan 4.420 nan 0.000 0.275 25 P C -0.422 176.779 177.300 -0.165 0.000 1.227 25 P CA 0.153 63.187 63.100 -0.109 0.000 0.781 25 P CB 1.061 32.702 31.700 -0.099 0.000 0.906 26 T N 1.514 115.988 114.554 -0.133 0.000 3.071 26 T HA 0.464 4.928 4.350 0.190 0.000 0.311 26 T C -1.131 173.521 174.700 -0.079 0.000 1.042 26 T CA -0.263 61.762 62.100 -0.125 0.000 1.028 26 T CB 0.566 69.392 68.868 -0.071 0.000 1.068 26 T HN 0.205 nan 8.240 nan 0.000 0.451 27 T N 3.204 117.719 114.554 -0.065 0.000 2.856 27 T HA 0.715 5.179 4.350 0.190 0.000 0.283 27 T C -0.784 173.959 174.700 0.071 0.000 1.008 27 T CA -0.589 61.535 62.100 0.040 0.000 0.997 27 T CB 1.589 70.542 68.868 0.141 0.000 0.992 27 T HN 0.417 nan 8.240 nan 0.000 0.454 28 V N 2.953 122.908 119.914 0.067 0.000 2.588 28 V HA 0.560 4.794 4.120 0.190 0.000 0.304 28 V C -0.604 175.522 176.094 0.052 0.000 1.042 28 V CA -0.748 61.583 62.300 0.050 0.000 0.877 28 V CB 2.021 33.854 31.823 0.017 0.000 0.996 28 V HN 0.717 nan 8.190 nan 0.000 0.425 29 V N 3.998 123.934 119.914 0.037 0.000 2.448 29 V HA 0.630 4.863 4.120 0.190 0.000 0.295 29 V C 0.387 176.435 176.094 -0.078 0.000 1.025 29 V CA -0.325 61.974 62.300 -0.001 0.000 0.859 29 V CB 2.147 34.011 31.823 0.067 0.000 0.988 29 V HN 1.045 nan 8.190 nan 0.000 0.431 30 T N 1.878 116.341 114.554 -0.152 0.000 2.937 30 T HA 0.464 4.927 4.350 0.190 0.000 0.283 30 T C 0.926 175.504 174.700 -0.203 0.000 1.012 30 T CA -0.550 61.459 62.100 -0.152 0.000 0.997 30 T CB 1.705 70.487 68.868 -0.143 0.000 1.136 30 T HN 0.395 nan 8.240 nan 0.000 0.551 31 R N 0.301 120.701 120.500 -0.166 0.000 2.096 31 R HA -0.045 4.409 4.340 0.190 0.000 0.235 31 R C 2.356 178.527 176.300 -0.214 0.000 1.127 31 R CA 1.685 57.682 56.100 -0.171 0.000 0.968 31 R CB -1.167 29.051 30.300 -0.136 0.000 0.861 31 R HN 0.749 nan 8.270 nan 0.000 0.440 32 Q N 0.423 120.095 119.800 -0.213 0.000 2.096 32 Q HA -0.139 4.315 4.340 0.190 0.000 0.204 32 Q C 1.619 177.401 176.000 -0.363 0.000 0.982 32 Q CA 2.001 57.666 55.803 -0.230 0.000 0.850 32 Q CB -0.186 28.442 28.738 -0.184 0.000 0.901 32 Q HN 0.401 nan 8.270 nan 0.000 0.422 33 D N -0.067 120.023 120.400 -0.517 0.000 2.117 33 D HA -0.137 4.616 4.640 0.190 0.000 0.197 33 D C 1.864 177.479 176.300 -1.140 0.000 0.987 33 D CA 1.051 54.442 54.000 -1.015 0.000 0.829 33 D CB -0.124 39.874 40.800 -1.337 0.000 0.961 33 D HN 0.295 nan 8.370 nan 0.000 0.460 34 I N 1.300 121.492 120.570 -0.631 0.000 2.252 34 I HA -0.210 4.074 4.170 0.190 0.000 0.245 34 I C 1.859 177.881 176.117 -0.157 0.000 1.102 34 I CA 0.882 62.011 61.300 -0.286 0.000 1.385 34 I CB -0.145 37.771 38.000 -0.140 0.000 1.064 34 I HN -0.160 nan 8.210 nan 0.000 0.414 35 D N 0.987 121.279 120.400 -0.180 0.000 2.123 35 D HA -0.169 4.585 4.640 0.190 0.000 0.196 35 D C 2.315 178.553 176.300 -0.103 0.000 0.992 35 D CA 1.259 55.190 54.000 -0.114 0.000 0.833 35 D CB -0.289 40.441 40.800 -0.117 0.000 0.954 35 D HN 0.308 nan 8.370 nan 0.000 0.455 36 R N -0.270 120.117 120.500 -0.189 0.000 2.092 36 R HA -0.094 4.360 4.340 0.190 0.000 0.231 36 R C 2.156 178.494 176.300 0.063 0.000 1.119 36 R CA 0.874 56.907 56.100 -0.111 0.000 0.970 36 R CB -0.139 30.059 30.300 -0.169 0.000 0.864 36 R HN 0.286 nan 8.270 nan 0.000 0.440 37 W N 0.729 122.006 121.300 -0.038 0.000 2.678 37 W HA 0.040 4.813 4.660 0.188 0.000 0.256 37 W C 0.560 177.058 176.519 -0.035 0.000 1.280 37 W CA 0.095 57.421 57.345 -0.031 0.000 1.345 37 W CB -0.413 29.028 29.460 -0.031 0.000 1.118 37 W HN 0.246 nan 8.180 nan 0.000 0.629 38 Q N -0.603 119.290 119.800 0.154 0.000 2.494 38 Q HA -0.183 4.270 4.340 0.190 0.000 0.266 38 Q C 0.260 176.293 176.000 0.056 0.000 1.053 38 Q CA 0.573 56.420 55.803 0.073 0.000 1.029 38 Q CB -1.874 26.893 28.738 0.048 0.000 1.423 38 Q HN -0.087 nan 8.270 nan 0.000 0.516 39 S N 0.373 116.135 115.700 0.103 0.000 2.544 39 S HA 0.083 4.667 4.470 0.190 0.000 0.290 39 S C 1.300 175.908 174.600 0.013 0.000 1.276 39 S CA 0.675 58.914 58.200 0.065 0.000 1.075 39 S CB 0.685 63.959 63.200 0.125 0.000 0.849 39 S HN 0.439 nan 8.310 nan 0.000 0.494 40 T N -1.018 113.515 114.554 -0.036 0.000 3.092 40 T HA 0.337 4.800 4.350 0.190 0.000 0.258 40 T C 0.407 175.108 174.700 0.002 0.000 1.031 40 T CA -0.016 62.060 62.100 -0.040 0.000 0.925 40 T CB -0.189 68.558 68.868 -0.202 0.000 1.036 40 T HN 0.588 nan 8.240 nan 0.000 0.544 41 S N -0.859 114.840 115.700 -0.002 0.000 2.656 41 S HA 0.553 5.137 4.470 0.190 0.000 0.273 41 S C 0.581 175.182 174.600 0.002 0.000 1.168 41 S CA -0.463 57.739 58.200 0.003 0.000 0.817 41 S CB 1.348 64.533 63.200 -0.026 0.000 1.146 41 S HN -0.114 nan 8.310 nan 0.000 0.475 42 V N 1.666 121.580 119.914 -0.001 0.000 2.488 42 V HA -0.071 4.162 4.120 0.190 0.000 0.246 42 V C 2.308 178.371 176.094 -0.051 0.000 1.046 42 V CA 1.757 64.049 62.300 -0.014 0.000 1.053 42 V CB -1.255 30.562 31.823 -0.010 0.000 0.679 42 V HN 0.836 nan 8.190 nan 0.000 0.458 43 N N 0.843 119.501 118.700 -0.069 0.000 2.094 43 N HA -0.235 4.619 4.740 0.190 0.000 0.191 43 N C 1.634 177.098 175.510 -0.077 0.000 1.023 43 N CA 2.055 55.052 53.050 -0.088 0.000 0.857 43 N CB -0.494 37.938 38.487 -0.093 0.000 1.013 43 N HN 0.644 nan 8.380 nan 0.000 0.426 44 D N -0.187 120.179 120.400 -0.057 0.000 2.219 44 D HA -0.033 4.720 4.640 0.190 0.000 0.205 44 D C 1.701 177.969 176.300 -0.054 0.000 0.970 44 D CA 0.341 54.305 54.000 -0.060 0.000 0.851 44 D CB 0.270 41.046 40.800 -0.040 0.000 0.943 44 D HN -0.015 nan 8.370 nan 0.000 0.488 45 V N 0.186 120.102 119.914 0.002 0.000 2.302 45 V HA -0.133 4.100 4.120 0.190 0.000 0.243 45 V C 2.528 178.611 176.094 -0.017 0.000 1.036 45 V CA 1.067 63.416 62.300 0.081 0.000 1.020 45 V CB -0.422 31.477 31.823 0.128 0.000 0.657 45 V HN 0.297 nan 8.190 nan 0.000 0.453 46 L N 0.556 121.736 121.223 -0.072 0.000 2.141 46 L HA -0.157 4.297 4.340 0.190 0.000 0.209 46 L C 2.735 179.519 176.870 -0.143 0.000 1.094 46 L CA 1.626 56.381 54.840 -0.141 0.000 0.763 46 L CB -0.614 41.325 42.059 -0.200 0.000 0.908 46 L HN 0.445 nan 8.230 nan 0.000 0.437 47 R N 0.576 121.000 120.500 -0.127 0.000 2.241 47 R HA -0.153 4.301 4.340 0.190 0.000 0.224 47 R C 1.865 178.084 176.300 -0.135 0.000 1.101 47 R CA 1.089 57.117 56.100 -0.120 0.000 0.995 47 R CB -0.670 29.565 30.300 -0.107 0.000 0.870 47 R HN 0.234 nan 8.270 nan 0.000 0.463 48 R N 0.420 120.815 120.500 -0.176 0.000 2.307 48 R HA 0.218 4.672 4.340 0.190 0.000 0.199 48 R C 0.082 176.316 176.300 -0.110 0.000 1.000 48 R CA 0.309 56.276 56.100 -0.222 0.000 1.023 48 R CB -0.115 29.908 30.300 -0.462 0.000 0.908 48 R HN 0.200 nan 8.270 nan 0.000 0.473 49 L N 0.455 121.657 121.223 -0.036 0.000 2.365 49 L HA 0.453 4.907 4.340 0.190 0.000 0.267 49 L C -2.284 174.669 176.870 0.139 0.000 1.033 49 L CA -2.798 52.092 54.840 0.083 0.000 0.802 49 L CB 0.683 42.839 42.059 0.162 0.000 1.267 49 L HN -0.336 nan 8.230 nan 0.000 0.457 50 P HA 0.106 nan 4.420 nan 0.000 0.271 50 P C 0.587 178.014 177.300 0.211 0.000 1.216 50 P CA 0.514 63.710 63.100 0.159 0.000 0.771 50 P CB 0.827 32.596 31.700 0.115 0.000 0.864 51 G N 1.464 110.345 108.800 0.136 0.000 2.168 51 G HA2 -0.220 3.853 3.960 0.190 0.000 0.263 51 G HA3 -0.220 3.853 3.960 0.190 0.000 0.263 51 G C 0.050 175.031 174.900 0.136 0.000 0.977 51 G CA -0.054 45.128 45.100 0.137 0.000 0.659 51 G HN 0.504 nan 8.290 nan 0.000 0.533 52 V N 0.917 120.889 119.914 0.097 0.000 2.406 52 V HA 0.551 4.785 4.120 0.190 0.000 0.272 52 V C -0.220 175.882 176.094 0.012 0.000 1.043 52 V CA -0.371 61.939 62.300 0.017 0.000 0.915 52 V CB 1.801 33.574 31.823 -0.084 0.000 0.988 52 V HN 0.285 nan 8.190 nan 0.000 0.466 53 D N 5.025 125.458 120.400 0.054 0.000 2.446 53 D HA 0.417 5.171 4.640 0.190 0.000 0.251 53 D C -0.558 175.833 176.300 0.152 0.000 1.137 53 D CA -0.254 53.800 54.000 0.089 0.000 0.890 53 D CB 0.877 41.753 40.800 0.126 0.000 1.071 53 D HN 0.400 nan 8.370 nan 0.000 0.528 54 I N 2.683 123.288 120.570 0.059 0.000 2.353 54 I HA 0.272 4.555 4.170 0.190 0.000 0.293 54 I C 0.749 176.913 176.117 0.078 0.000 0.992 54 I CA -0.485 60.835 61.300 0.034 0.000 1.268 54 I CB 1.738 39.710 38.000 -0.047 0.000 1.387 54 I HN 0.298 nan 8.210 nan 0.000 0.478 55 T N 2.885 117.507 114.554 0.114 0.000 2.912 55 T HA 0.613 5.077 4.350 0.190 0.000 0.288 55 T C -0.760 173.942 174.700 0.003 0.000 1.030 55 T CA -0.757 61.404 62.100 0.101 0.000 1.020 55 T CB 2.367 71.359 68.868 0.206 0.000 1.056 55 T HN 0.647 nan 8.240 nan 0.000 0.480 56 Q N 1.010 120.789 119.800 -0.035 0.000 2.320 56 Q HA 0.352 4.806 4.340 0.190 0.000 0.272 56 Q C -1.127 174.774 176.000 -0.165 0.000 1.023 56 Q CA -0.734 55.004 55.803 -0.109 0.000 0.855 56 Q CB 1.430 30.107 28.738 -0.101 0.000 1.367 56 Q HN 0.664 nan 8.270 nan 0.000 0.406 57 N N 2.357 120.882 118.700 -0.291 0.000 3.115 57 N HA 0.294 5.148 4.740 0.190 0.000 0.305 57 N C -0.043 175.336 175.510 -0.219 0.000 1.305 57 N CA 1.125 53.834 53.050 -0.569 0.000 1.154 57 N CB 0.508 38.490 38.487 -0.843 0.000 1.454 57 N HN 0.802 nan 8.380 nan 0.000 0.551 58 G N -1.724 107.029 108.800 -0.078 0.000 2.342 58 G HA2 0.034 4.107 3.960 0.190 0.000 0.220 58 G HA3 0.034 4.107 3.960 0.190 0.000 0.220 58 G C 0.175 175.020 174.900 -0.092 0.000 1.243 58 G CA -0.566 44.509 45.100 -0.042 0.000 1.083 58 G HN 0.473 nan 8.290 nan 0.000 0.500 59 G N -0.414 108.335 108.800 -0.084 0.000 2.504 59 G HA2 0.648 4.722 3.960 0.190 0.000 0.257 59 G HA3 0.648 4.722 3.960 0.190 0.000 0.257 59 G C 0.990 175.817 174.900 -0.122 0.000 1.451 59 G CA 1.272 46.316 45.100 -0.093 0.000 1.059 59 G HN 2.172 nan 8.290 nan 0.000 0.550 60 S N -1.607 114.024 115.700 -0.115 0.000 2.572 60 S HA 0.423 5.007 4.470 0.190 0.000 0.279 60 S C 1.384 175.785 174.600 -0.332 0.000 1.341 60 S CA 0.795 58.894 58.200 -0.168 0.000 1.043 60 S CB 0.795 63.949 63.200 -0.076 0.000 0.887 60 S HN 2.435 nan 8.310 nan 0.000 0.516 61 G N 1.479 109.925 108.800 -0.591 0.000 2.253 61 G HA2 -0.219 3.855 3.960 0.190 0.000 0.251 61 G HA3 -0.219 3.855 3.960 0.190 0.000 0.251 61 G C 0.097 174.705 174.900 -0.487 0.000 0.998 61 G CA 0.277 44.794 45.100 -0.973 0.000 0.621 61 G HN 0.828 nan 8.290 nan 0.000 0.524 62 Q N 0.442 120.060 119.800 -0.303 0.000 2.354 62 Q HA 0.527 4.980 4.340 0.190 0.000 0.244 62 Q C 1.231 177.105 176.000 -0.210 0.000 0.969 62 Q CA -0.454 55.221 55.803 -0.214 0.000 0.885 62 Q CB 0.637 29.271 28.738 -0.174 0.000 1.241 62 Q HN 0.541 nan 8.270 nan 0.000 0.461 63 L N 1.703 122.816 121.223 -0.183 0.000 2.615 63 L HA -0.080 4.374 4.340 0.190 0.000 0.284 63 L C 0.550 177.312 176.870 -0.179 0.000 1.237 63 L CA 0.523 55.262 54.840 -0.167 0.000 0.905 63 L CB -0.303 41.664 42.059 -0.153 0.000 1.149 63 L HN 0.681 nan 8.230 nan 0.000 0.499 64 S N 1.143 116.746 115.700 -0.161 0.000 2.627 64 S HA 0.780 5.364 4.470 0.190 0.000 0.283 64 S C -0.755 173.738 174.600 -0.179 0.000 1.127 64 S CA -0.940 57.167 58.200 -0.155 0.000 0.863 64 S CB 2.189 65.301 63.200 -0.147 0.000 1.121 64 S HN 0.436 nan 8.310 nan 0.000 0.479 65 S N 0.395 115.970 115.700 -0.208 0.000 2.548 65 S HA 0.632 5.216 4.470 0.190 0.000 0.286 65 S C -0.912 173.397 174.600 -0.486 0.000 1.098 65 S CA -0.754 57.211 58.200 -0.391 0.000 0.930 65 S CB 0.846 63.750 63.200 -0.494 0.000 1.070 65 S HN 0.666 nan 8.310 nan 0.000 0.480 66 I N 2.622 122.852 120.570 -0.567 0.000 2.362 66 I HA 0.414 4.698 4.170 0.190 0.000 0.289 66 I C -1.418 174.362 176.117 -0.561 0.000 0.994 66 I CA -0.446 60.599 61.300 -0.426 0.000 1.158 66 I CB 0.918 38.750 38.000 -0.279 0.000 1.315 66 I HN 0.499 nan 8.210 nan 0.000 0.451 67 F N 6.645 126.559 119.950 -0.062 0.000 2.382 67 F HA 0.439 5.079 4.527 0.189 0.000 0.361 67 F C 0.035 175.823 175.800 -0.021 0.000 1.109 67 F CA -0.734 57.245 58.000 -0.036 0.000 1.031 67 F CB 0.889 39.872 39.000 -0.028 0.000 1.234 67 F HN 0.171 nan 8.300 nan 0.000 0.445 68 I N 3.919 124.562 120.570 0.122 0.000 2.342 68 I HA 0.244 4.528 4.170 0.190 0.000 0.291 68 I C 0.919 177.101 176.117 0.110 0.000 1.010 68 I CA -0.585 60.778 61.300 0.105 0.000 1.308 68 I CB 1.011 39.062 38.000 0.087 0.000 1.400 68 I HN 0.662 nan 8.210 nan 0.000 0.488 69 R N 4.381 124.945 120.500 0.107 0.000 3.387 69 R HA -0.262 4.192 4.340 0.190 0.000 0.254 69 R C 1.094 177.498 176.300 0.173 0.000 1.006 69 R CA 0.611 56.785 56.100 0.123 0.000 0.677 69 R CB -1.788 28.442 30.300 -0.117 0.000 1.063 69 R HN 1.139 nan 8.270 nan 0.000 0.453 70 G N -1.437 107.454 108.800 0.153 0.000 2.176 70 G HA2 -0.385 3.688 3.960 0.190 0.000 0.253 70 G HA3 -0.385 3.688 3.960 0.190 0.000 0.253 70 G C 0.353 175.348 174.900 0.158 0.000 0.979 70 G CA 0.568 45.740 45.100 0.121 0.000 0.641 70 G HN 0.725 nan 8.290 nan 0.000 0.530 71 T N -0.675 113.998 114.554 0.198 0.000 2.816 71 T HA 0.565 5.029 4.350 0.190 0.000 0.282 71 T C 0.558 175.411 174.700 0.255 0.000 0.993 71 T CA -0.119 62.120 62.100 0.231 0.000 0.994 71 T CB 1.184 70.195 68.868 0.238 0.000 1.025 71 T HN 0.185 nan 8.240 nan 0.000 0.529 72 N N 0.069 118.839 118.700 0.116 0.000 2.340 72 N HA 0.343 5.197 4.740 0.190 0.000 0.236 72 N C 1.580 177.022 175.510 -0.115 0.000 1.296 72 N CA 0.208 53.241 53.050 -0.029 0.000 0.896 72 N CB 0.086 38.294 38.487 -0.466 0.000 1.127 72 N HN 0.849 nan 8.380 nan 0.000 0.442 73 A N 0.697 123.381 122.820 -0.227 0.000 1.948 73 A HA -0.199 4.235 4.320 0.190 0.000 0.220 73 A C 1.734 179.154 177.584 -0.274 0.000 1.177 73 A CA 2.290 54.056 52.037 -0.452 0.000 0.636 73 A CB -0.822 17.905 19.000 -0.456 0.000 0.815 73 A HN 0.689 nan 8.150 nan 0.000 0.449 74 S N -1.697 113.859 115.700 -0.240 0.000 2.631 74 S HA 0.059 4.643 4.470 0.190 0.000 0.217 74 S C 0.736 175.353 174.600 0.027 0.000 0.958 74 S CA 0.340 58.458 58.200 -0.138 0.000 0.920 74 S CB -0.749 62.374 63.200 -0.128 0.000 0.776 74 S HN 0.768 nan 8.310 nan 0.000 0.517 75 H N 0.022 119.041 119.070 -0.085 0.000 2.507 75 H HA 0.495 5.165 4.556 0.189 0.000 0.294 75 H C -0.287 174.990 175.328 -0.086 0.000 1.064 75 H CA -0.374 55.630 56.048 -0.074 0.000 1.138 75 H CB 0.772 30.515 29.762 -0.032 0.000 1.515 75 H HN 0.275 nan 8.280 nan 0.000 0.547 76 V N 1.800 121.715 119.914 0.001 0.000 2.555 76 V HA 0.241 4.475 4.120 0.190 0.000 0.302 76 V C -1.026 175.014 176.094 -0.091 0.000 1.038 76 V CA -1.048 61.221 62.300 -0.052 0.000 0.887 76 V CB 1.875 33.650 31.823 -0.082 0.000 0.991 76 V HN 0.130 nan 8.190 nan 0.000 0.434 77 L N 7.599 128.757 121.223 -0.108 0.000 2.260 77 L HA 0.559 5.013 4.340 0.190 0.000 0.289 77 L C -0.459 176.308 176.870 -0.172 0.000 1.057 77 L CA 0.409 55.160 54.840 -0.147 0.000 0.811 77 L CB 1.293 43.246 42.059 -0.176 0.000 1.184 77 L HN 0.515 nan 8.230 nan 0.000 0.429 78 V N 7.041 126.848 119.914 -0.178 0.000 2.347 78 V HA 0.414 4.647 4.120 0.190 0.000 0.280 78 V C 0.138 176.108 176.094 -0.207 0.000 1.021 78 V CA -0.533 61.646 62.300 -0.202 0.000 0.847 78 V CB 1.268 32.967 31.823 -0.206 0.000 0.990 78 V HN 0.591 nan 8.190 nan 0.000 0.444 79 L N 5.591 126.677 121.223 -0.229 0.000 2.331 79 L HA 0.622 5.076 4.340 0.190 0.000 0.275 79 L C -0.742 176.016 176.870 -0.186 0.000 1.022 79 L CA -0.771 53.947 54.840 -0.204 0.000 0.812 79 L CB 1.885 43.792 42.059 -0.253 0.000 1.257 79 L HN 0.359 nan 8.230 nan 0.000 0.435 80 I N 2.068 122.568 120.570 -0.115 0.000 2.355 80 I HA 0.194 4.478 4.170 0.190 0.000 0.288 80 I C -0.003 176.130 176.117 0.027 0.000 0.999 80 I CA -0.374 60.888 61.300 -0.064 0.000 1.163 80 I CB 0.928 38.958 38.000 0.050 0.000 1.316 80 I HN 0.650 nan 8.210 nan 0.000 0.454 81 D N 5.540 125.948 120.400 0.014 0.000 2.701 81 D HA -0.204 4.549 4.640 0.190 0.000 0.235 81 D C 1.280 177.608 176.300 0.048 0.000 1.155 81 D CA 1.473 55.499 54.000 0.043 0.000 0.649 81 D CB -0.773 40.094 40.800 0.111 0.000 1.050 81 D HN 1.145 nan 8.370 nan 0.000 0.425 82 G N -2.256 106.542 108.800 -0.003 0.000 2.159 82 G HA2 -0.280 3.793 3.960 0.190 0.000 0.256 82 G HA3 -0.280 3.793 3.960 0.190 0.000 0.256 82 G C 0.269 175.183 174.900 0.023 0.000 0.977 82 G CA 0.289 45.393 45.100 0.006 0.000 0.652 82 G HN 0.602 nan 8.290 nan 0.000 0.531 83 V N 0.674 120.600 119.914 0.021 0.000 2.540 83 V HA 0.519 4.753 4.120 0.190 0.000 0.302 83 V C 0.993 177.075 176.094 -0.019 0.000 1.035 83 V CA -1.021 61.300 62.300 0.035 0.000 0.873 83 V CB 1.745 33.623 31.823 0.091 0.000 0.992 83 V HN 0.497 nan 8.190 nan 0.000 0.428 84 R N 2.993 123.471 120.500 -0.035 0.000 2.486 84 R HA -0.028 4.426 4.340 0.190 0.000 0.304 84 R C -0.177 176.094 176.300 -0.049 0.000 0.913 84 R CA -0.343 55.719 56.100 -0.064 0.000 1.124 84 R CB 0.068 30.341 30.300 -0.045 0.000 0.891 84 R HN 0.614 nan 8.270 nan 0.000 0.410 85 L N 5.646 126.825 121.223 -0.072 0.000 2.559 85 L HA -0.059 4.394 4.340 0.190 0.000 0.274 85 L C 1.064 177.921 176.870 -0.021 0.000 1.205 85 L CA 0.380 55.193 54.840 -0.045 0.000 0.907 85 L CB 0.463 42.467 42.059 -0.091 0.000 1.153 85 L HN 0.851 nan 8.230 nan 0.000 0.490 86 N N 5.624 124.328 118.700 0.007 0.000 2.106 86 N HA -0.242 4.612 4.740 0.190 0.000 0.188 86 N C 1.409 176.915 175.510 -0.006 0.000 1.029 86 N CA 2.161 55.201 53.050 -0.017 0.000 0.848 86 N CB -0.816 37.644 38.487 -0.044 0.000 1.007 86 N HN 0.762 nan 8.380 nan 0.000 0.423 87 L N 0.146 121.391 121.223 0.037 0.000 2.123 87 L HA -0.224 4.230 4.340 0.190 0.000 0.217 87 L C 2.476 179.345 176.870 -0.001 0.000 1.081 87 L CA 1.785 56.648 54.840 0.038 0.000 0.772 87 L CB -0.953 41.164 42.059 0.097 0.000 0.890 87 L HN 0.327 nan 8.230 nan 0.000 0.437 88 A N 0.122 122.931 122.820 -0.020 0.000 2.172 88 A HA 0.008 4.442 4.320 0.190 0.000 0.216 88 A C 2.317 179.878 177.584 -0.037 0.000 1.154 88 A CA 1.346 53.357 52.037 -0.043 0.000 0.701 88 A CB -0.779 18.183 19.000 -0.062 0.000 0.789 88 A HN 0.484 nan 8.150 nan 0.000 0.465 89 G N -0.936 107.847 108.800 -0.028 0.000 2.494 89 G HA2 0.082 4.156 3.960 0.190 0.000 0.216 89 G HA3 0.082 4.156 3.960 0.190 0.000 0.216 89 G C 1.350 176.244 174.900 -0.011 0.000 1.140 89 G CA 0.997 46.084 45.100 -0.022 0.000 0.801 89 G HN 0.280 nan 8.290 nan 0.000 0.536 90 V N 1.555 121.462 119.914 -0.012 0.000 2.323 90 V HA -0.120 4.113 4.120 0.190 0.000 0.244 90 V C 3.067 179.161 176.094 -0.001 0.000 1.041 90 V CA 2.277 64.576 62.300 -0.002 0.000 1.025 90 V CB -0.214 31.601 31.823 -0.014 0.000 0.656 90 V HN 0.547 nan 8.190 nan 0.000 0.451 91 S N -0.087 115.605 115.700 -0.013 0.000 2.501 91 S HA 0.222 4.805 4.470 0.190 0.000 0.220 91 S C 1.659 176.236 174.600 -0.038 0.000 0.997 91 S CA 0.926 59.115 58.200 -0.019 0.000 0.919 91 S CB 0.455 63.642 63.200 -0.023 0.000 0.778 91 S HN 1.326 nan 8.310 nan 0.000 0.523 92 G N 0.338 109.114 108.800 -0.040 0.000 2.147 92 G HA2 -0.185 3.889 3.960 0.190 0.000 0.244 92 G HA3 -0.185 3.889 3.960 0.190 0.000 0.244 92 G C -0.038 174.822 174.900 -0.067 0.000 1.005 92 G CA 0.394 45.465 45.100 -0.048 0.000 0.713 92 G HN 1.487 nan 8.290 nan 0.000 0.515 93 S N -1.054 114.599 115.700 -0.079 0.000 2.603 93 S HA 0.781 5.365 4.470 0.190 0.000 0.274 93 S C -0.022 174.507 174.600 -0.118 0.000 1.168 93 S CA 0.678 58.811 58.200 -0.111 0.000 0.963 93 S CB 1.267 64.392 63.200 -0.125 0.000 1.078 93 S HN 1.919 nan 8.310 nan 0.000 0.477 94 A N 3.236 125.972 122.820 -0.139 0.000 2.409 94 A HA 0.592 5.026 4.320 0.190 0.000 0.262 94 A C -0.338 177.154 177.584 -0.153 0.000 1.113 94 A CA -0.159 51.796 52.037 -0.137 0.000 0.790 94 A CB 0.327 19.235 19.000 -0.153 0.000 1.046 94 A HN 0.767 nan 8.150 nan 0.000 0.496 95 D N 2.513 122.841 120.400 -0.120 0.000 2.542 95 D HA 0.373 5.127 4.640 0.190 0.000 0.252 95 D C -0.142 176.106 176.300 -0.087 0.000 1.222 95 D CA -0.322 53.606 54.000 -0.120 0.000 0.895 95 D CB 1.044 41.782 40.800 -0.104 0.000 1.207 95 D HN 0.325 nan 8.370 nan 0.000 0.558 96 L N 2.610 123.770 121.223 -0.106 0.000 2.628 96 L HA 0.054 4.508 4.340 0.190 0.000 0.229 96 L C 2.098 178.938 176.870 -0.049 0.000 1.137 96 L CA 0.071 54.870 54.840 -0.068 0.000 0.909 96 L CB 0.059 42.042 42.059 -0.126 0.000 1.137 96 L HN 0.358 nan 8.230 nan 0.000 0.470 97 S N -0.786 114.854 115.700 -0.101 0.000 2.419 97 S HA -0.195 4.389 4.470 0.190 0.000 0.235 97 S C 1.725 176.215 174.600 -0.184 0.000 1.019 97 S CA 0.853 58.954 58.200 -0.164 0.000 0.982 97 S CB -0.104 62.960 63.200 -0.226 0.000 0.789 97 S HN 0.457 nan 8.310 nan 0.000 0.490 98 Q N -0.389 119.370 119.800 -0.069 0.000 2.396 98 Q HA 0.362 4.815 4.340 0.190 0.000 0.209 98 Q C -0.053 175.934 176.000 -0.022 0.000 0.906 98 Q CA -0.137 55.681 55.803 0.025 0.000 0.927 98 Q CB -0.062 28.759 28.738 0.137 0.000 1.069 98 Q HN 0.670 nan 8.270 nan 0.000 0.523 99 F N 4.516 124.350 119.950 -0.193 0.000 2.456 99 F HA 0.181 4.822 4.527 0.189 0.000 0.358 99 F C -1.976 173.614 175.800 -0.351 0.000 1.095 99 F CA -2.323 55.451 58.000 -0.377 0.000 1.216 99 F CB 0.860 39.730 39.000 -0.216 0.000 1.125 99 F HN -0.133 nan 8.300 nan 0.000 0.549 100 P HA 0.069 nan 4.420 nan 0.000 0.282 100 P C 0.779 177.900 177.300 -0.298 0.000 1.274 100 P CA -0.003 62.767 63.100 -0.550 0.000 0.770 100 P CB 1.178 32.486 31.700 -0.654 0.000 0.867 101 I N 4.447 124.963 120.570 -0.089 0.000 2.315 101 I HA -0.292 3.991 4.170 0.190 0.000 0.251 101 I C 2.061 178.135 176.117 -0.072 0.000 1.125 101 I CA 1.711 62.997 61.300 -0.023 0.000 1.392 101 I CB -0.644 37.358 38.000 0.003 0.000 1.065 101 I HN 0.427 nan 8.210 nan 0.000 0.424 102 A N -0.121 122.627 122.820 -0.120 0.000 2.076 102 A HA -0.141 4.293 4.320 0.190 0.000 0.220 102 A C 2.181 179.650 177.584 -0.192 0.000 1.160 102 A CA 1.679 53.637 52.037 -0.131 0.000 0.653 102 A CB -0.907 18.021 19.000 -0.121 0.000 0.801 102 A HN 0.538 nan 8.150 nan 0.000 0.455 103 L N -0.352 120.726 121.223 -0.241 0.000 2.558 103 L HA 0.061 4.514 4.340 0.190 0.000 0.225 103 L C -0.066 176.713 176.870 -0.152 0.000 1.128 103 L CA -0.217 54.451 54.840 -0.287 0.000 0.868 103 L CB 0.136 41.946 42.059 -0.416 0.000 1.006 103 L HN 0.065 nan 8.230 nan 0.000 0.454 104 V N 1.436 121.313 119.914 -0.061 0.000 2.372 104 V HA 0.064 4.298 4.120 0.190 0.000 0.261 104 V C 0.742 176.782 176.094 -0.090 0.000 1.055 104 V CA -0.112 62.166 62.300 -0.036 0.000 0.930 104 V CB 0.967 32.790 31.823 0.000 0.000 1.031 104 V HN 0.307 nan 8.190 nan 0.000 0.479 105 Q N 3.623 123.359 119.800 -0.107 0.000 2.352 105 Q HA 0.291 4.745 4.340 0.190 0.000 0.212 105 Q C 0.737 176.679 176.000 -0.097 0.000 0.888 105 Q CA 0.254 55.988 55.803 -0.115 0.000 0.934 105 Q CB 1.050 29.710 28.738 -0.129 0.000 1.093 105 Q HN 0.728 nan 8.270 nan 0.000 0.523 106 R N -0.502 119.949 120.500 -0.081 0.000 2.644 106 R HA 0.443 4.896 4.340 0.190 0.000 0.257 106 R C -1.946 174.319 176.300 -0.057 0.000 1.082 106 R CA -0.221 55.838 56.100 -0.069 0.000 0.927 106 R CB 1.574 31.837 30.300 -0.061 0.000 1.258 106 R HN -0.125 nan 8.270 nan 0.000 0.459 107 V N 2.953 122.844 119.914 -0.038 0.000 2.531 107 V HA 0.429 4.663 4.120 0.190 0.000 0.301 107 V C -0.737 175.362 176.094 0.009 0.000 1.034 107 V CA -0.759 61.526 62.300 -0.026 0.000 0.865 107 V CB 1.869 33.682 31.823 -0.018 0.000 0.995 107 V HN 0.732 nan 8.190 nan 0.000 0.424 108 E N 3.832 124.039 120.200 0.011 0.000 2.165 108 E HA 0.452 4.915 4.350 0.190 0.000 0.266 108 E C -1.799 174.859 176.600 0.097 0.000 0.889 108 E CA -0.714 55.711 56.400 0.041 0.000 0.756 108 E CB 2.546 32.254 29.700 0.013 0.000 1.131 108 E HN 0.616 nan 8.360 nan 0.000 0.411 109 Y N 4.353 124.630 120.300 -0.039 0.000 2.326 109 Y HA 0.461 5.125 4.550 0.189 0.000 0.329 109 Y C -1.580 174.297 175.900 -0.038 0.000 0.973 109 Y CA -1.300 56.771 58.100 -0.048 0.000 1.162 109 Y CB 0.603 39.040 38.460 -0.039 0.000 1.147 109 Y HN 0.428 nan 8.280 nan 0.000 0.456 110 I N 7.167 127.669 120.570 -0.114 0.000 2.436 110 I HA 0.534 4.818 4.170 0.190 0.000 0.289 110 I C -0.256 175.698 176.117 -0.271 0.000 1.010 110 I CA -0.934 60.231 61.300 -0.224 0.000 1.098 110 I CB 1.810 39.758 38.000 -0.087 0.000 1.266 110 I HN 0.512 nan 8.210 nan 0.000 0.434 111 R N 3.393 123.679 120.500 -0.358 0.000 2.573 111 R HA 0.795 5.249 4.340 0.190 0.000 0.272 111 R C 0.135 176.309 176.300 -0.211 0.000 1.009 111 R CA -0.418 55.502 56.100 -0.299 0.000 1.059 111 R CB 1.663 31.747 30.300 -0.360 0.000 1.112 111 R HN 0.930 nan 8.270 nan 0.000 0.517 112 G N 1.598 110.272 108.800 -0.210 0.000 2.661 112 G HA2 -0.152 3.922 3.960 0.190 0.000 0.685 112 G HA3 -0.152 3.922 3.960 0.190 0.000 0.685 112 G C -2.871 171.931 174.900 -0.163 0.000 1.298 112 G CA -1.142 43.838 45.100 -0.200 0.000 0.855 112 G HN 0.444 nan 8.290 nan 0.000 0.560 113 P HA 0.488 nan 4.420 nan 0.000 0.276 113 P C -0.021 177.206 177.300 -0.122 0.000 1.252 113 P CA -0.198 62.803 63.100 -0.165 0.000 0.802 113 P CB 1.277 32.841 31.700 -0.228 0.000 1.035 114 R N 0.089 120.540 120.500 -0.082 0.000 2.493 114 R HA 0.182 4.636 4.340 0.190 0.000 0.404 114 R C 0.982 177.280 176.300 -0.003 0.000 0.834 114 R CA 0.139 56.223 56.100 -0.027 0.000 1.056 114 R CB -0.311 30.027 30.300 0.062 0.000 1.620 114 R HN 0.263 nan 8.270 nan 0.000 0.570 115 S N 0.000 115.676 115.700 -0.040 0.000 2.419 115 S HA -0.103 4.481 4.470 0.190 0.000 0.233 115 S C 1.803 176.425 174.600 0.036 0.000 1.016 115 S CA 1.240 59.434 58.200 -0.009 0.000 0.974 115 S CB 0.131 63.333 63.200 0.004 0.000 0.786 115 S HN 0.531 nan 8.310 nan 0.000 0.492 116 A N 0.470 123.296 122.820 0.010 0.000 2.225 116 A HA 0.033 4.467 4.320 0.190 0.000 0.215 116 A C 1.861 179.394 177.584 -0.085 0.000 1.164 116 A CA 1.043 53.096 52.037 0.027 0.000 0.710 116 A CB -0.292 18.732 19.000 0.038 0.000 0.780 116 A HN 0.388 nan 8.150 nan 0.000 0.473 117 V N -3.340 116.429 119.914 -0.241 0.000 3.090 117 V HA 0.037 4.271 4.120 0.190 0.000 0.237 117 V C 1.549 177.194 176.094 -0.749 0.000 1.209 117 V CA 0.799 62.693 62.300 -0.677 0.000 1.209 117 V CB -0.491 30.856 31.823 -0.793 0.000 0.971 117 V HN 0.599 nan 8.190 nan 0.000 0.477 118 Y N 0.407 120.589 120.300 -0.197 0.000 2.445 118 Y HA 0.560 5.223 4.550 0.190 0.000 0.247 118 Y C 1.639 177.503 175.900 -0.060 0.000 1.129 118 Y CA 0.545 58.564 58.100 -0.134 0.000 1.251 118 Y CB 0.941 39.330 38.460 -0.119 0.000 1.176 118 Y HN 0.335 nan 8.280 nan 0.000 0.522 119 G N 0.535 109.388 108.800 0.088 0.000 2.509 119 G HA2 -0.323 3.751 3.960 0.190 0.000 0.256 119 G HA3 -0.323 3.751 3.960 0.190 0.000 0.256 119 G C -0.048 174.688 174.900 -0.273 0.000 1.152 119 G CA -0.147 45.013 45.100 0.101 0.000 0.951 119 G HN 0.328 nan 8.290 nan 0.000 0.559 120 S N 1.147 116.626 115.700 -0.368 0.000 2.564 120 S HA 0.464 5.048 4.470 0.190 0.000 0.278 120 S C 0.993 175.375 174.600 -0.362 0.000 1.333 120 S CA 1.276 59.057 58.200 -0.698 0.000 1.048 120 S CB 0.369 63.410 63.200 -0.264 0.000 0.900 120 S HN 1.355 nan 8.310 nan 0.000 0.505 121 D N 0.879 121.060 120.400 -0.365 0.000 2.139 121 D HA -0.148 4.606 4.640 0.190 0.000 0.166 121 D C 0.254 176.454 176.300 -0.165 0.000 1.145 121 D CA 1.413 55.302 54.000 -0.185 0.000 1.097 121 D CB -1.759 38.966 40.800 -0.126 0.000 1.164 121 D HN 0.754 nan 8.370 nan 0.000 0.513 122 A N 0.824 123.531 122.820 -0.188 0.000 3.037 122 A HA 0.539 4.972 4.320 0.190 0.000 0.272 122 A C 1.473 178.974 177.584 -0.138 0.000 1.723 122 A CA -0.095 51.867 52.037 -0.126 0.000 1.413 122 A CB -0.832 18.128 19.000 -0.067 0.000 1.112 122 A HN 0.351 nan 8.150 nan 0.000 0.606 123 I N 0.003 120.489 120.570 -0.139 0.000 2.962 123 I HA 0.084 4.367 4.170 0.190 0.000 0.246 123 I C 2.542 178.591 176.117 -0.113 0.000 1.091 123 I CA 0.962 62.165 61.300 -0.161 0.000 1.469 123 I CB -0.394 37.450 38.000 -0.261 0.000 1.324 123 I HN 0.504 nan 8.210 nan 0.000 0.461 124 G N 0.393 109.162 108.800 -0.052 0.000 2.408 124 G HA2 0.294 4.368 3.960 0.190 0.000 0.217 124 G HA3 0.294 4.368 3.960 0.190 0.000 0.217 124 G C 0.704 175.566 174.900 -0.063 0.000 1.150 124 G CA 0.955 46.028 45.100 -0.045 0.000 0.776 124 G HN 0.573 nan 8.290 nan 0.000 0.542 125 G N -2.322 106.459 108.800 -0.031 0.000 2.317 125 G HA2 0.419 4.493 3.960 0.190 0.000 0.293 125 G HA3 0.419 4.493 3.960 0.190 0.000 0.293 125 G C -2.116 172.790 174.900 0.010 0.000 1.287 125 G CA -0.119 44.974 45.100 -0.011 0.000 0.850 125 G HN 0.552 nan 8.290 nan 0.000 0.515 126 V N -0.391 119.546 119.914 0.038 0.000 2.656 126 V HA 0.707 4.941 4.120 0.190 0.000 0.307 126 V C -0.441 175.691 176.094 0.064 0.000 1.051 126 V CA -0.713 61.574 62.300 -0.021 0.000 0.893 126 V CB 1.829 33.594 31.823 -0.095 0.000 0.999 126 V HN 0.770 nan 8.190 nan 0.000 0.426 127 V N 3.690 123.576 119.914 -0.047 0.000 2.407 127 V HA 0.476 4.710 4.120 0.190 0.000 0.291 127 V C -0.432 175.580 176.094 -0.135 0.000 1.018 127 V CA -0.612 61.648 62.300 -0.067 0.000 0.842 127 V CB 1.721 33.425 31.823 -0.197 0.000 0.996 127 V HN 0.861 nan 8.190 nan 0.000 0.426 128 N N 5.052 123.690 118.700 -0.104 0.000 2.446 128 N HA 0.485 5.339 4.740 0.190 0.000 0.265 128 N C -0.888 174.548 175.510 -0.123 0.000 0.975 128 N CA -0.387 52.582 53.050 -0.134 0.000 0.928 128 N CB 1.156 39.578 38.487 -0.109 0.000 1.160 128 N HN 0.616 nan 8.380 nan 0.000 0.495 129 I N 4.510 124.977 120.570 -0.172 0.000 2.304 129 I HA 0.319 4.603 4.170 0.190 0.000 0.291 129 I C 0.068 176.116 176.117 -0.115 0.000 1.018 129 I CA -0.496 60.697 61.300 -0.178 0.000 1.260 129 I CB 0.756 38.553 38.000 -0.338 0.000 1.390 129 I HN 0.352 nan 8.210 nan 0.000 0.475 130 I N 5.462 125.985 120.570 -0.078 0.000 2.377 130 I HA 0.187 4.471 4.170 0.190 0.000 0.293 130 I C 1.103 177.188 176.117 -0.054 0.000 0.987 130 I CA -0.116 61.154 61.300 -0.051 0.000 1.185 130 I CB 2.043 40.013 38.000 -0.050 0.000 1.341 130 I HN 0.605 nan 8.210 nan 0.000 0.455 131 T N -0.761 113.774 114.554 -0.031 0.000 3.044 131 T HA 0.162 4.625 4.350 0.190 0.000 0.260 131 T C 0.555 175.187 174.700 -0.114 0.000 1.019 131 T CA -0.151 61.898 62.100 -0.085 0.000 0.921 131 T CB -0.122 68.737 68.868 -0.015 0.000 1.053 131 T HN 0.467 nan 8.240 nan 0.000 0.533 132 T N 3.581 118.106 114.554 -0.048 0.000 2.845 132 T HA 0.588 5.052 4.350 0.190 0.000 0.288 132 T C -0.114 174.546 174.700 -0.068 0.000 0.980 132 T CA -0.807 61.271 62.100 -0.036 0.000 1.071 132 T CB 1.169 70.010 68.868 -0.045 0.000 0.941 132 T HN 0.625 nan 8.240 nan 0.000 0.487 133 R N 0.810 121.272 120.500 -0.063 0.000 2.750 133 R HA 0.695 5.149 4.340 0.190 0.000 0.281 133 R C -1.679 174.596 176.300 -0.043 0.000 0.972 133 R CA -1.008 55.052 56.100 -0.067 0.000 0.912 133 R CB 1.258 31.505 30.300 -0.089 0.000 1.187 133 R HN 0.368 nan 8.270 nan 0.000 0.464 134 D N 1.503 121.878 120.400 -0.042 0.000 2.472 134 D HA 0.208 4.961 4.640 0.190 0.000 0.234 134 D C -1.196 175.082 176.300 -0.037 0.000 1.088 134 D CA -0.284 53.697 54.000 -0.030 0.000 0.882 134 D CB 1.078 41.864 40.800 -0.024 0.000 1.037 134 D HN 0.647 nan 8.370 nan 0.000 0.520 135 E N 3.588 123.765 120.200 -0.038 0.000 2.777 135 E HA 0.280 4.743 4.350 0.190 0.000 0.375 135 E C -2.787 173.785 176.600 -0.047 0.000 1.093 135 E CA -1.330 55.041 56.400 -0.048 0.000 0.755 135 E CB 0.702 30.363 29.700 -0.064 0.000 1.595 135 E HN 0.213 nan 8.360 nan 0.000 0.380 136 P HA 0.619 nan 4.420 nan 0.000 0.272 136 P C 0.176 177.447 177.300 -0.049 0.000 1.230 136 P CA 0.356 63.438 63.100 -0.031 0.000 0.788 136 P CB 1.114 32.804 31.700 -0.016 0.000 0.949 137 G N -0.089 108.679 108.800 -0.054 0.000 2.479 137 G HA2 0.081 4.155 3.960 0.190 0.000 0.686 137 G HA3 0.081 4.155 3.960 0.190 0.000 0.686 137 G C -1.117 173.676 174.900 -0.177 0.000 1.295 137 G CA -0.834 44.211 45.100 -0.092 0.000 0.922 137 G HN 0.586 nan 8.290 nan 0.000 0.582 138 T N 0.464 114.807 114.554 -0.353 0.000 2.895 138 T HA 0.704 5.168 4.350 0.190 0.000 0.283 138 T C -0.205 174.099 174.700 -0.659 0.000 1.014 138 T CA -0.326 61.458 62.100 -0.527 0.000 1.037 138 T CB 2.046 70.472 68.868 -0.736 0.000 1.006 138 T HN 0.689 nan 8.240 nan 0.000 0.468 139 E N 1.623 121.577 120.200 -0.411 0.000 2.308 139 E HA 0.543 5.007 4.350 0.190 0.000 0.275 139 E C -1.482 175.045 176.600 -0.122 0.000 0.890 139 E CA -0.598 55.647 56.400 -0.259 0.000 0.754 139 E CB 1.558 31.160 29.700 -0.163 0.000 1.207 139 E HN 0.517 nan 8.360 nan 0.000 0.426 140 I N 3.024 123.584 120.570 -0.016 0.000 2.466 140 I HA 0.330 4.614 4.170 0.190 0.000 0.289 140 I C -0.445 175.729 176.117 0.094 0.000 1.026 140 I CA -0.510 60.829 61.300 0.065 0.000 1.078 140 I CB 1.883 39.961 38.000 0.130 0.000 1.249 140 I HN 0.475 nan 8.210 nan 0.000 0.429 141 S N 4.448 120.202 115.700 0.090 0.000 2.632 141 S HA 1.001 5.585 4.470 0.190 0.000 0.289 141 S C -0.731 173.948 174.600 0.133 0.000 1.115 141 S CA -0.762 57.498 58.200 0.099 0.000 0.889 141 S CB 2.818 66.055 63.200 0.061 0.000 1.116 141 S HN 0.887 nan 8.310 nan 0.000 0.486 142 A N -0.312 122.584 122.820 0.126 0.000 2.566 142 A HA 0.967 5.400 4.320 0.190 0.000 0.290 142 A C -0.340 177.307 177.584 0.105 0.000 1.071 142 A CA -0.357 51.747 52.037 0.113 0.000 0.658 142 A CB 0.886 20.006 19.000 0.199 0.000 1.285 142 A HN 1.988 nan 8.150 nan 0.000 0.427 143 G N -1.004 107.837 108.800 0.068 0.000 2.660 143 G HA2 0.646 4.720 3.960 0.190 0.000 0.290 143 G HA3 0.646 4.720 3.960 0.190 0.000 0.290 143 G C -1.716 173.338 174.900 0.257 0.000 1.432 143 G CA -0.193 45.032 45.100 0.208 0.000 0.807 143 G HN 1.543 nan 8.290 nan 0.000 0.485 144 W N 0.498 121.894 121.300 0.160 0.000 3.256 144 W HA 0.643 5.416 4.660 0.188 0.000 0.324 144 W C -0.799 175.882 176.519 0.271 0.000 1.196 144 W CA -0.309 57.132 57.345 0.161 0.000 1.206 144 W CB 1.884 31.390 29.460 0.077 0.000 1.385 144 W HN 1.140 nan 8.180 nan 0.000 0.522 145 G N 1.649 110.411 108.800 -0.062 0.000 2.682 145 G HA2 0.430 4.504 3.960 0.190 0.000 0.303 145 G HA3 0.430 4.504 3.960 0.190 0.000 0.303 145 G C -1.141 173.590 174.900 -0.281 0.000 1.341 145 G CA -0.733 44.309 45.100 -0.096 0.000 0.784 145 G HN 0.384 nan 8.290 nan 0.000 0.497 146 S N -0.524 115.116 115.700 -0.100 0.000 2.560 146 S HA 0.090 4.674 4.470 0.190 0.000 0.276 146 S C 0.920 175.453 174.600 -0.111 0.000 1.350 146 S CA 1.001 59.156 58.200 -0.075 0.000 1.024 146 S CB -0.007 63.206 63.200 0.021 0.000 0.864 146 S HN 0.803 nan 8.310 nan 0.000 0.536 147 N N 0.220 118.867 118.700 -0.088 0.000 2.693 147 N HA -0.228 4.626 4.740 0.190 0.000 0.249 147 N C 0.148 175.591 175.510 -0.111 0.000 1.119 147 N CA 0.425 53.434 53.050 -0.068 0.000 0.717 147 N CB -1.795 36.668 38.487 -0.040 0.000 1.071 147 N HN 0.835 nan 8.380 nan 0.000 0.555 148 S N -3.588 111.967 115.700 -0.242 0.000 3.581 148 S HA -0.360 4.223 4.470 0.190 0.000 0.354 148 S C 0.179 174.590 174.600 -0.315 0.000 1.059 148 S CA 0.866 58.827 58.200 -0.397 0.000 1.060 148 S CB -2.069 61.047 63.200 -0.139 0.000 0.908 148 S HN 0.622 nan 8.310 nan 0.000 0.475 149 Y N 1.893 121.962 120.300 -0.386 0.000 2.805 149 Y HA 0.294 4.958 4.550 0.189 0.000 0.331 149 Y C 0.476 176.255 175.900 -0.200 0.000 1.241 149 Y CA 0.914 58.846 58.100 -0.279 0.000 1.546 149 Y CB 0.318 38.653 38.460 -0.210 0.000 1.248 149 Y HN 0.646 nan 8.280 nan 0.000 0.559 150 Q N 6.030 125.394 119.800 -0.727 0.000 2.305 150 Q HA 0.336 4.790 4.340 0.190 0.000 0.271 150 Q C -1.667 173.825 176.000 -0.848 0.000 1.046 150 Q CA -0.853 54.622 55.803 -0.547 0.000 0.798 150 Q CB 1.393 30.099 28.738 -0.054 0.000 1.286 150 Q HN 0.876 nan 8.270 nan 0.000 0.435 151 N N 2.879 121.122 118.700 -0.762 0.000 2.249 151 N HA 0.415 5.268 4.740 0.190 0.000 0.296 151 N C -1.908 173.334 175.510 -0.448 0.000 1.051 151 N CA -0.168 52.584 53.050 -0.497 0.000 0.815 151 N CB 1.231 39.545 38.487 -0.288 0.000 1.487 151 N HN 0.419 nan 8.380 nan 0.000 0.475 152 Y N 0.617 120.987 120.300 0.118 0.000 2.477 152 Y HA 0.410 5.073 4.550 0.189 0.000 0.347 152 Y C -0.777 175.164 175.900 0.069 0.000 0.981 152 Y CA -0.920 57.228 58.100 0.080 0.000 1.033 152 Y CB 2.116 40.599 38.460 0.039 0.000 1.245 152 Y HN 0.522 nan 8.280 nan 0.000 0.455 153 D N 1.033 121.556 120.400 0.204 0.000 2.966 153 D HA 0.671 5.425 4.640 0.190 0.000 0.222 153 D C -2.024 174.320 176.300 0.073 0.000 1.292 153 D CA -0.275 53.789 54.000 0.106 0.000 0.907 153 D CB 1.681 42.518 40.800 0.062 0.000 1.621 153 D HN 0.293 nan 8.370 nan 0.000 0.557 154 V N 2.590 122.533 119.914 0.048 0.000 2.656 154 V HA 0.822 5.055 4.120 0.190 0.000 0.307 154 V C -0.396 175.698 176.094 0.000 0.000 1.051 154 V CA -0.632 61.680 62.300 0.021 0.000 0.893 154 V CB 1.661 33.502 31.823 0.029 0.000 0.999 154 V HN 0.723 nan 8.190 nan 0.000 0.426 155 S N 1.849 117.528 115.700 -0.035 0.000 2.556 155 S HA 0.863 5.446 4.470 0.190 0.000 0.271 155 S C -0.802 173.758 174.600 -0.068 0.000 1.135 155 S CA -0.743 57.433 58.200 -0.040 0.000 0.858 155 S CB 2.298 65.461 63.200 -0.062 0.000 1.114 155 S HN 0.819 nan 8.310 nan 0.000 0.468 156 T N 0.647 115.181 114.554 -0.034 0.000 2.923 156 T HA 0.550 5.014 4.350 0.190 0.000 0.311 156 T C -2.141 172.555 174.700 -0.006 0.000 1.183 156 T CA -0.371 61.703 62.100 -0.044 0.000 1.020 156 T CB 1.985 70.838 68.868 -0.025 0.000 1.165 156 T HN 0.810 nan 8.240 nan 0.000 0.482 157 Q N 3.157 122.948 119.800 -0.016 0.000 2.290 157 Q HA 0.506 4.960 4.340 0.190 0.000 0.269 157 Q C -1.372 174.634 176.000 0.009 0.000 1.016 157 Q CA -0.687 55.121 55.803 0.009 0.000 0.754 157 Q CB 1.160 29.897 28.738 -0.002 0.000 1.247 157 Q HN 0.618 nan 8.270 nan 0.000 0.451 158 Q N 1.903 121.719 119.800 0.026 0.000 2.451 158 Q HA 0.391 4.845 4.340 0.190 0.000 0.281 158 Q C -0.918 175.100 176.000 0.029 0.000 1.099 158 Q CA -1.135 54.684 55.803 0.027 0.000 0.806 158 Q CB 1.864 30.622 28.738 0.035 0.000 1.419 158 Q HN 0.581 nan 8.270 nan 0.000 0.427 159 Q N 1.127 120.941 119.800 0.024 0.000 2.314 159 Q HA 0.255 4.709 4.340 0.190 0.000 0.258 159 Q C -0.512 175.504 176.000 0.027 0.000 0.954 159 Q CA -0.101 55.714 55.803 0.021 0.000 0.890 159 Q CB 0.612 29.358 28.738 0.013 0.000 1.210 159 Q HN 0.367 nan 8.270 nan 0.000 0.410 160 L N 2.465 123.706 121.223 0.030 0.000 2.701 160 L HA 0.332 4.786 4.340 0.190 0.000 0.237 160 L C 0.706 177.593 176.870 0.029 0.000 1.204 160 L CA 0.453 55.314 54.840 0.035 0.000 1.109 160 L CB 0.268 42.355 42.059 0.046 0.000 1.409 160 L HN 0.899 nan 8.230 nan 0.000 0.428 161 G N -0.253 108.559 108.800 0.020 0.000 2.681 161 G HA2 -0.118 3.956 3.960 0.190 0.000 0.220 161 G HA3 -0.118 3.956 3.960 0.190 0.000 0.220 161 G C -0.140 174.760 174.900 -0.000 0.000 1.353 161 G CA -0.397 44.712 45.100 0.013 0.000 0.872 161 G HN 0.621 nan 8.290 nan 0.000 0.557 162 D N -0.936 119.460 120.400 -0.007 0.000 2.399 162 D HA 0.588 5.341 4.640 0.190 0.000 0.241 162 D C 1.290 177.548 176.300 -0.070 0.000 1.133 162 D CA 1.654 55.638 54.000 -0.027 0.000 0.890 162 D CB 0.165 nan 40.800 nan 0.000 1.201 162 D HN 1.957 nan 8.370 nan 0.000 0.432 163 K N -1.302 119.031 120.400 -0.112 0.000 3.615 163 K HA -0.129 4.305 4.320 0.190 0.000 0.269 163 K C 0.545 176.960 176.600 -0.308 0.000 1.107 163 K CA 1.566 57.699 56.287 -0.256 0.000 1.059 163 K CB -2.450 29.815 32.500 -0.392 0.000 1.317 163 K HN 1.121 nan 8.250 nan 0.000 0.494 164 T N 1.068 115.546 114.554 -0.126 0.000 2.861 164 T HA 0.667 5.131 4.350 0.190 0.000 0.287 164 T C -0.413 174.298 174.700 0.019 0.000 1.003 164 T CA -0.679 61.410 62.100 -0.017 0.000 0.977 164 T CB 1.693 70.617 68.868 0.093 0.000 0.996 164 T HN 0.577 nan 8.240 nan 0.000 0.448 165 R N 0.370 120.899 120.500 0.047 0.000 2.673 165 R HA 0.830 5.283 4.340 0.190 0.000 0.281 165 R C -1.762 174.585 176.300 0.078 0.000 0.991 165 R CA -0.941 55.192 56.100 0.054 0.000 0.896 165 R CB 1.191 31.515 30.300 0.040 0.000 1.201 165 R HN 0.343 nan 8.270 nan 0.000 0.457 166 V N 1.613 121.570 119.914 0.072 0.000 2.547 166 V HA 0.523 4.756 4.120 0.190 0.000 0.299 166 V C -0.271 175.875 176.094 0.087 0.000 1.040 166 V CA -0.575 61.775 62.300 0.084 0.000 0.913 166 V CB 1.951 33.819 31.823 0.075 0.000 0.992 166 V HN 0.901 nan 8.190 nan 0.000 0.449 167 T N 5.697 120.322 114.554 0.118 0.000 2.841 167 T HA 0.772 5.236 4.350 0.190 0.000 0.283 167 T C -0.726 174.083 174.700 0.183 0.000 1.000 167 T CA -0.374 61.815 62.100 0.147 0.000 0.977 167 T CB 1.265 70.261 68.868 0.213 0.000 0.979 167 T HN 0.398 nan 8.240 nan 0.000 0.446 168 L N 3.137 124.451 121.223 0.152 0.000 2.422 168 L HA 0.783 5.237 4.340 0.190 0.000 0.264 168 L C -1.465 175.485 176.870 0.133 0.000 0.984 168 L CA -1.081 53.855 54.840 0.159 0.000 0.819 168 L CB 2.286 44.404 42.059 0.099 0.000 1.330 168 L HN 0.448 nan 8.230 nan 0.000 0.410 169 L N 1.567 122.886 121.223 0.161 0.000 2.482 169 L HA 0.920 5.374 4.340 0.190 0.000 0.263 169 L C -0.805 176.119 176.870 0.089 0.000 0.957 169 L CA 0.115 55.003 54.840 0.080 0.000 0.836 169 L CB 2.323 44.383 42.059 0.002 0.000 1.324 169 L HN 0.527 nan 8.230 nan 0.000 0.406 170 G N 1.782 110.619 108.800 0.061 0.000 2.530 170 G HA2 0.551 4.625 3.960 0.190 0.000 0.316 170 G HA3 0.551 4.625 3.960 0.190 0.000 0.316 170 G C -1.951 172.990 174.900 0.067 0.000 1.298 170 G CA -0.328 44.815 45.100 0.071 0.000 0.948 170 G HN 0.718 nan 8.290 nan 0.000 0.486 171 D N -0.169 120.274 120.400 0.071 0.000 2.780 171 D HA 0.508 5.262 4.640 0.190 0.000 0.242 171 D C -1.654 174.721 176.300 0.125 0.000 1.135 171 D CA -0.585 53.461 54.000 0.075 0.000 0.859 171 D CB 2.052 42.853 40.800 0.001 0.000 1.530 171 D HN 0.357 nan 8.370 nan 0.000 0.493 172 Y N 2.860 123.168 120.300 0.013 0.000 2.326 172 Y HA 0.675 5.339 4.550 0.189 0.000 0.331 172 Y C -1.613 174.232 175.900 -0.091 0.000 0.962 172 Y CA -0.752 57.343 58.100 -0.008 0.000 1.167 172 Y CB 1.347 39.856 38.460 0.081 0.000 1.148 172 Y HN 0.476 nan 8.280 nan 0.000 0.463 173 A N 6.334 128.816 122.820 -0.563 0.000 2.356 173 A HA 0.562 4.996 4.320 0.190 0.000 0.310 173 A C -1.962 175.210 177.584 -0.687 0.000 1.075 173 A CA -0.535 51.178 52.037 -0.541 0.000 0.746 173 A CB 0.916 19.757 19.000 -0.265 0.000 1.221 173 A HN 0.890 nan 8.150 nan 0.000 0.443 174 H N 1.811 120.450 119.070 -0.717 0.000 2.947 174 H HA 0.629 5.299 4.556 0.189 0.000 0.354 174 H C -1.297 173.801 175.328 -0.383 0.000 1.085 174 H CA 0.367 56.054 56.048 -0.601 0.000 1.253 174 H CB 2.037 31.423 29.762 -0.627 0.000 1.757 174 H HN 0.862 nan 8.280 nan 0.000 0.523 175 T N 1.916 116.029 114.554 -0.735 0.000 2.906 175 T HA 0.418 4.882 4.350 0.190 0.000 0.295 175 T C -0.641 173.639 174.700 -0.700 0.000 1.075 175 T CA -0.841 60.921 62.100 -0.564 0.000 1.005 175 T CB 2.616 71.406 68.868 -0.130 0.000 1.136 175 T HN 0.589 nan 8.240 nan 0.000 0.498 176 H N -0.192 118.703 119.070 -0.291 0.000 2.748 176 H HA 0.655 5.325 4.556 0.190 0.000 0.315 176 H C 1.180 176.465 175.328 -0.071 0.000 1.429 176 H CA -0.139 55.819 56.048 -0.150 0.000 1.444 176 H CB 1.009 30.715 29.762 -0.092 0.000 1.827 176 H HN 1.031 nan 8.280 nan 0.000 0.754 197 F N 1.397 121.284 119.950 -0.105 0.000 2.787 197 F HA 0.731 5.372 4.527 0.189 0.000 0.340 197 F C -1.291 174.439 175.800 -0.115 0.000 1.232 197 F CA -0.944 57.007 58.000 -0.082 0.000 1.051 197 F CB 1.532 40.490 39.000 -0.070 0.000 1.330 197 F HN 0.428 nan 8.300 nan 0.000 0.522 198 L N 5.713 126.637 121.223 -0.498 0.000 2.317 198 L HA 0.770 5.224 4.340 0.190 0.000 0.281 198 L C -1.104 175.310 176.870 -0.760 0.000 1.024 198 L CA -0.276 54.233 54.840 -0.553 0.000 0.810 198 L CB 1.755 43.706 42.059 -0.181 0.000 1.240 198 L HN 0.604 nan 8.230 nan 0.000 0.427 199 S N 3.916 119.192 115.700 -0.707 0.000 2.619 199 S HA 0.597 5.181 4.470 0.190 0.000 0.280 199 S C -1.355 173.073 174.600 -0.287 0.000 1.150 199 S CA -0.744 57.162 58.200 -0.491 0.000 0.978 199 S CB 1.225 64.077 63.200 -0.580 0.000 1.041 199 S HN 0.705 nan 8.310 nan 0.000 0.485 200 K N 2.434 122.780 120.400 -0.090 0.000 2.378 200 K HA 0.684 5.118 4.320 0.190 0.000 0.252 200 K C -1.297 175.353 176.600 0.083 0.000 0.931 200 K CA -0.803 55.494 56.287 0.017 0.000 0.794 200 K CB 2.249 34.800 32.500 0.086 0.000 1.181 200 K HN 0.514 nan 8.250 nan 0.000 0.425 201 T N 2.406 117.004 114.554 0.074 0.000 2.921 201 T HA 0.474 4.938 4.350 0.190 0.000 0.297 201 T C -1.084 173.676 174.700 0.100 0.000 1.013 201 T CA -0.699 61.451 62.100 0.082 0.000 0.990 201 T CB 0.925 69.778 68.868 -0.025 0.000 1.023 201 T HN 0.295 nan 8.240 nan 0.000 0.447 202 L N 3.282 124.585 121.223 0.133 0.000 2.385 202 L HA 0.663 5.117 4.340 0.190 0.000 0.273 202 L C -1.447 175.532 176.870 0.182 0.000 0.990 202 L CA -1.032 53.890 54.840 0.136 0.000 0.821 202 L CB 1.983 44.112 42.059 0.116 0.000 1.279 202 L HN 0.748 nan 8.230 nan 0.000 0.412 203 Y N 2.295 122.610 120.300 0.025 0.000 2.457 203 Y HA 0.766 5.431 4.550 0.191 0.000 0.343 203 Y C -0.426 175.485 175.900 0.019 0.000 0.994 203 Y CA -0.584 57.532 58.100 0.026 0.000 1.031 203 Y CB 2.282 40.741 38.460 -0.002 0.000 1.246 203 Y HN 0.508 nan 8.280 nan 0.000 0.449 204 G N 2.597 111.173 108.800 -0.374 0.000 2.620 204 G HA2 0.785 4.859 3.960 0.190 0.000 0.301 204 G HA3 0.785 4.859 3.960 0.190 0.000 0.301 204 G C -2.065 172.602 174.900 -0.387 0.000 1.347 204 G CA -0.541 44.430 45.100 -0.215 0.000 0.971 204 G HN 1.011 nan 8.290 nan 0.000 0.488 205 A N 0.599 123.359 122.820 -0.099 0.000 2.549 205 A HA 0.829 5.263 4.320 0.190 0.000 0.297 205 A C -1.691 175.957 177.584 0.107 0.000 1.061 205 A CA -0.554 51.489 52.037 0.009 0.000 0.690 205 A CB 1.907 20.955 19.000 0.081 0.000 1.287 205 A HN 0.988 nan 8.150 nan 0.000 0.402 206 L N 1.056 122.371 121.223 0.153 0.000 2.376 206 L HA 0.571 5.025 4.340 0.190 0.000 0.275 206 L C -0.668 176.330 176.870 0.214 0.000 0.987 206 L CA -0.003 54.932 54.840 0.159 0.000 0.828 206 L CB 1.879 44.023 42.059 0.141 0.000 1.249 206 L HN 0.842 nan 8.230 nan 0.000 0.409 207 E N 2.434 122.743 120.200 0.182 0.000 2.165 207 E HA 0.334 4.798 4.350 0.190 0.000 0.266 207 E C -1.558 175.138 176.600 0.161 0.000 0.889 207 E CA -0.622 55.899 56.400 0.202 0.000 0.756 207 E CB 1.630 31.418 29.700 0.147 0.000 1.131 207 E HN 0.440 nan 8.360 nan 0.000 0.411 208 H N 2.244 121.345 119.070 0.052 0.000 2.529 208 H HA 0.338 5.008 4.556 0.190 0.000 0.348 208 H C -0.917 174.350 175.328 -0.102 0.000 1.079 208 H CA -0.726 55.261 56.048 -0.101 0.000 1.198 208 H CB 0.880 30.474 29.762 -0.281 0.000 1.521 208 H HN 0.312 nan 8.280 nan 0.000 0.514 209 N N 5.508 123.956 118.700 -0.419 0.000 2.485 209 N HA 0.048 4.901 4.740 0.190 0.000 0.243 209 N C 0.103 175.503 175.510 -0.183 0.000 0.987 209 N CA -0.017 52.957 53.050 -0.127 0.000 0.940 209 N CB 0.549 38.991 38.487 -0.076 0.000 1.122 209 N HN 0.568 nan 8.380 nan 0.000 0.509 210 F N 0.444 120.539 119.950 0.242 0.000 2.146 210 F HA -0.100 4.541 4.527 0.190 0.000 0.298 210 F C 1.949 177.870 175.800 0.202 0.000 1.096 210 F CA 0.713 58.880 58.000 0.278 0.000 1.275 210 F CB -0.007 39.148 39.000 0.259 0.000 1.008 210 F HN 0.318 nan 8.300 nan 0.000 0.480 211 T N -4.151 110.674 114.554 0.452 0.000 2.716 211 T HA 0.250 4.714 4.350 0.190 0.000 0.286 211 T C 0.303 175.144 174.700 0.235 0.000 1.052 211 T CA -0.675 61.614 62.100 0.314 0.000 1.024 211 T CB 1.303 70.406 68.868 0.391 0.000 1.349 211 T HN -0.160 nan 8.240 nan 0.000 0.525 212 D N 0.061 120.554 120.400 0.155 0.000 2.312 212 D HA 0.149 4.902 4.640 0.190 0.000 0.211 212 D C 1.942 178.267 176.300 0.041 0.000 0.964 212 D CA 1.196 55.245 54.000 0.082 0.000 0.877 212 D CB -0.315 40.513 40.800 0.047 0.000 0.924 212 D HN 0.658 nan 8.370 nan 0.000 0.515 213 A N -0.225 122.624 122.820 0.049 0.000 1.956 213 A HA 0.072 4.505 4.320 0.190 0.000 0.212 213 A C 0.497 177.997 177.584 -0.140 0.000 1.188 213 A CA 0.028 51.948 52.037 -0.196 0.000 0.675 213 A CB -0.230 18.601 19.000 -0.282 0.000 0.845 213 A HN 0.098 nan 8.150 nan 0.000 0.455 214 W N 0.397 121.829 121.300 0.220 0.000 2.390 214 W HA 0.625 5.399 4.660 0.190 0.000 0.312 214 W C -0.197 176.562 176.519 0.400 0.000 1.123 214 W CA -0.130 57.410 57.345 0.325 0.000 1.202 214 W CB 1.440 31.088 29.460 0.313 0.000 1.251 214 W HN 0.008 nan 8.180 nan 0.000 0.511 215 S N 1.319 117.436 115.700 0.695 0.000 2.548 215 S HA 0.851 5.435 4.470 0.190 0.000 0.286 215 S C -0.299 174.721 174.600 0.700 0.000 1.098 215 S CA -0.846 57.721 58.200 0.611 0.000 0.930 215 S CB 1.863 65.306 63.200 0.405 0.000 1.070 215 S HN 0.601 nan 8.310 nan 0.000 0.480 216 G N 0.950 110.152 108.800 0.671 0.000 2.574 216 G HA2 0.829 4.903 3.960 0.190 0.000 0.299 216 G HA3 0.829 4.903 3.960 0.190 0.000 0.299 216 G C -1.495 173.683 174.900 0.463 0.000 1.298 216 G CA -0.808 44.620 45.100 0.547 0.000 0.952 216 G HN 0.661 nan 8.290 nan 0.000 0.477 217 F N -0.617 119.476 119.950 0.238 0.000 2.641 217 F HA 0.787 5.428 4.527 0.190 0.000 0.308 217 F C -1.452 174.448 175.800 0.168 0.000 1.105 217 F CA -1.409 56.700 58.000 0.182 0.000 0.964 217 F CB 1.759 40.858 39.000 0.165 0.000 1.294 217 F HN 0.439 nan 8.300 nan 0.000 0.442 218 V N 3.150 123.223 119.914 0.265 0.000 2.656 218 V HA 0.667 4.901 4.120 0.190 0.000 0.307 218 V C -0.790 175.487 176.094 0.304 0.000 1.051 218 V CA -0.760 61.671 62.300 0.219 0.000 0.893 218 V CB 1.931 33.855 31.823 0.169 0.000 0.999 218 V HN 0.927 nan 8.190 nan 0.000 0.426 219 R N 2.141 122.817 120.500 0.293 0.000 2.515 219 R HA 0.661 5.114 4.340 0.190 0.000 0.291 219 R C -0.501 175.721 176.300 -0.129 0.000 1.046 219 R CA -0.338 55.823 56.100 0.100 0.000 0.914 219 R CB 2.035 32.477 30.300 0.237 0.000 1.191 219 R HN 0.959 nan 8.270 nan 0.000 0.435 220 G N 3.224 111.723 108.800 -0.502 0.000 2.495 220 G HA2 0.595 4.669 3.960 0.190 0.000 0.318 220 G HA3 0.595 4.669 3.960 0.190 0.000 0.318 220 G C -1.745 172.624 174.900 -0.884 0.000 1.257 220 G CA -0.412 43.915 45.100 -1.289 0.000 0.962 220 G HN 0.549 nan 8.290 nan 0.000 0.483 221 Y N -0.649 119.152 120.300 -0.831 0.000 2.592 221 Y HA 0.817 5.481 4.550 0.190 0.000 0.334 221 Y C -0.279 175.410 175.900 -0.351 0.000 1.136 221 Y CA -1.493 56.366 58.100 -0.401 0.000 1.042 221 Y CB 1.287 39.702 38.460 -0.076 0.000 1.325 221 Y HN 1.018 nan 8.280 nan 0.000 0.457 222 G N 1.160 109.991 108.800 0.051 0.000 2.720 222 G HA2 0.584 4.658 3.960 0.190 0.000 0.295 222 G HA3 0.584 4.658 3.960 0.190 0.000 0.295 222 G C -2.461 172.455 174.900 0.027 0.000 1.437 222 G CA -0.952 44.048 45.100 -0.166 0.000 0.886 222 G HN 1.182 nan 8.290 nan 0.000 0.509 223 Y N -0.665 119.512 120.300 -0.205 0.000 2.534 223 Y HA 0.767 5.431 4.550 0.190 0.000 0.345 223 Y C -1.501 174.426 175.900 0.045 0.000 1.031 223 Y CA -1.679 56.382 58.100 -0.066 0.000 1.022 223 Y CB 2.511 40.901 38.460 -0.116 0.000 1.292 223 Y HN 0.440 nan 8.280 nan 0.000 0.459 224 D N 2.148 122.740 120.400 0.320 0.000 2.471 224 D HA 0.352 5.105 4.640 0.190 0.000 0.245 224 D C -1.484 174.930 176.300 0.191 0.000 1.116 224 D CA -0.305 53.891 54.000 0.327 0.000 0.853 224 D CB 0.857 41.816 40.800 0.266 0.000 1.123 224 D HN 0.669 nan 8.370 nan 0.000 0.540 225 N N 2.099 120.928 118.700 0.215 0.000 2.335 225 N HA 0.838 5.692 4.740 0.190 0.000 0.304 225 N C -0.351 175.250 175.510 0.151 0.000 1.135 225 N CA -0.439 52.703 53.050 0.153 0.000 0.817 225 N CB 1.739 40.436 38.487 0.350 0.000 1.294 225 N HN 0.519 nan 8.380 nan 0.000 0.497 226 R N -0.326 120.235 120.500 0.102 0.000 2.574 226 R HA 0.801 5.255 4.340 0.190 0.000 0.288 226 R C -0.984 175.456 176.300 0.232 0.000 1.004 226 R CA -0.752 55.428 56.100 0.135 0.000 0.895 226 R CB 0.516 30.855 30.300 0.066 0.000 1.191 226 R HN 0.589 nan 8.270 nan 0.000 0.444 227 T N 2.479 117.173 114.554 0.233 0.000 2.881 227 T HA 0.511 4.974 4.350 0.190 0.000 0.290 227 T C -0.745 174.036 174.700 0.135 0.000 1.000 227 T CA -0.611 61.633 62.100 0.239 0.000 0.978 227 T CB 1.306 70.278 68.868 0.174 0.000 0.997 227 T HN 0.648 nan 8.240 nan 0.000 0.443 242 T N 2.817 117.408 114.554 0.063 0.000 2.937 242 T HA 0.512 4.975 4.350 0.190 0.000 0.297 242 T C -0.828 173.922 174.700 0.084 0.000 0.991 242 T CA -0.562 61.580 62.100 0.071 0.000 0.990 242 T CB 1.346 70.250 68.868 0.059 0.000 0.991 242 T HN 0.320 nan 8.240 nan 0.000 0.440 243 R N 2.629 123.188 120.500 0.098 0.000 2.514 243 R HA 0.611 5.065 4.340 0.190 0.000 0.301 243 R C -0.882 175.504 176.300 0.143 0.000 0.962 243 R CA -0.812 55.359 56.100 0.118 0.000 0.882 243 R CB 0.864 31.228 30.300 0.106 0.000 1.143 243 R HN 0.373 nan 8.270 nan 0.000 0.452 244 K N 5.482 125.988 120.400 0.177 0.000 2.604 244 K HA 0.248 4.682 4.320 0.190 0.000 0.247 244 K C -1.824 174.928 176.600 0.254 0.000 0.956 244 K CA -0.719 55.683 56.287 0.191 0.000 0.896 244 K CB 1.164 33.738 32.500 0.123 0.000 1.131 244 K HN 0.434 nan 8.250 nan 0.000 0.440 245 L N 5.044 126.405 121.223 0.229 0.000 2.307 245 L HA 0.495 4.949 4.340 0.190 0.000 0.284 245 L C -1.714 175.294 176.870 0.230 0.000 1.023 245 L CA -0.473 54.494 54.840 0.213 0.000 0.810 245 L CB 1.071 43.253 42.059 0.206 0.000 1.231 245 L HN 0.609 nan 8.230 nan 0.000 0.423 246 Y N 3.606 123.913 120.300 0.012 0.000 2.477 246 Y HA 0.735 5.399 4.550 0.190 0.000 0.347 246 Y C -0.894 174.863 175.900 -0.238 0.000 0.981 246 Y CA -0.438 57.598 58.100 -0.107 0.000 1.033 246 Y CB 2.107 40.532 38.460 -0.058 0.000 1.245 246 Y HN 0.688 nan 8.280 nan 0.000 0.455 247 S N 4.643 119.650 115.700 -1.155 0.000 2.536 247 S HA 0.574 5.158 4.470 0.190 0.000 0.271 247 S C -1.923 171.992 174.600 -1.142 0.000 1.134 247 S CA -0.703 56.911 58.200 -0.976 0.000 0.897 247 S CB 1.206 63.861 63.200 -0.908 0.000 1.094 247 S HN 0.777 nan 8.310 nan 0.000 0.473 248 Q N 1.571 120.950 119.800 -0.702 0.000 2.389 248 Q HA 0.828 5.281 4.340 0.190 0.000 0.277 248 Q C -1.508 174.187 176.000 -0.509 0.000 1.082 248 Q CA -0.913 54.545 55.803 -0.574 0.000 0.810 248 Q CB 1.969 30.543 28.738 -0.274 0.000 1.374 248 Q HN 0.412 nan 8.270 nan 0.000 0.422 249 S N 1.084 116.295 115.700 -0.816 0.000 2.536 249 S HA 0.684 5.268 4.470 0.190 0.000 0.287 249 S C -1.782 172.384 174.600 -0.723 0.000 1.101 249 S CA -0.646 57.137 58.200 -0.695 0.000 0.950 249 S CB 0.768 63.405 63.200 -0.939 0.000 1.056 249 S HN 0.576 nan 8.310 nan 0.000 0.481 250 W N 1.346 122.569 121.300 -0.127 0.000 2.900 250 W HA 0.496 5.270 4.660 0.190 0.000 0.336 250 W C -0.863 175.703 176.519 0.078 0.000 1.064 250 W CA -0.425 56.921 57.345 0.003 0.000 1.237 250 W CB 1.336 30.850 29.460 0.091 0.000 1.391 250 W HN 0.424 nan 8.180 nan 0.000 0.468 251 D N 1.889 122.471 120.400 0.304 0.000 2.619 251 D HA 0.740 5.493 4.640 0.190 0.000 0.241 251 D C -0.957 175.465 176.300 0.203 0.000 1.087 251 D CA -0.462 53.714 54.000 0.293 0.000 0.851 251 D CB 2.342 43.389 40.800 0.413 0.000 1.474 251 D HN 0.375 nan 8.370 nan 0.000 0.478 252 A N 0.754 123.577 122.820 0.006 0.000 2.520 252 A HA 0.852 5.285 4.320 0.190 0.000 0.298 252 A C -0.449 176.814 177.584 -0.534 0.000 1.051 252 A CA -0.510 51.342 52.037 -0.308 0.000 0.690 252 A CB 2.252 21.196 19.000 -0.093 0.000 1.281 252 A HN 0.571 nan 8.150 nan 0.000 0.402 253 G N -0.258 107.939 108.800 -1.005 0.000 2.660 253 G HA2 0.604 4.678 3.960 0.190 0.000 0.290 253 G HA3 0.604 4.678 3.960 0.190 0.000 0.290 253 G C -1.913 172.884 174.900 -0.170 0.000 1.432 253 G CA -0.582 44.189 45.100 -0.550 0.000 0.807 253 G HN 0.764 nan 8.290 nan 0.000 0.485 254 L N 0.530 121.822 121.223 0.115 0.000 2.362 254 L HA 0.659 5.112 4.340 0.190 0.000 0.275 254 L C -0.088 177.032 176.870 0.416 0.000 0.998 254 L CA -0.862 54.154 54.840 0.293 0.000 0.820 254 L CB 2.225 44.431 42.059 0.245 0.000 1.270 254 L HN 0.390 nan 8.230 nan 0.000 0.415 255 R N 2.325 123.112 120.500 0.478 0.000 2.670 255 R HA 0.428 4.881 4.340 0.190 0.000 0.289 255 R C -1.651 174.833 176.300 0.306 0.000 0.965 255 R CA -0.919 55.421 56.100 0.399 0.000 0.899 255 R CB 2.819 33.322 30.300 0.338 0.000 1.173 255 R HN 0.405 nan 8.270 nan 0.000 0.456 256 Y N 2.108 122.375 120.300 -0.054 0.000 2.341 256 Y HA 0.282 4.946 4.550 0.190 0.000 0.338 256 Y C -0.734 175.052 175.900 -0.190 0.000 0.965 256 Y CA -0.951 56.877 58.100 -0.453 0.000 1.108 256 Y CB 1.353 39.258 38.460 -0.926 0.000 1.180 256 Y HN 0.536 nan 8.280 nan 0.000 0.458 257 N N 4.408 122.661 118.700 -0.745 0.000 2.851 257 N HA 0.338 5.192 4.740 0.190 0.000 0.248 257 N C -0.405 174.657 175.510 -0.747 0.000 1.221 257 N CA -0.126 52.617 53.050 -0.512 0.000 0.847 257 N CB 0.511 38.879 38.487 -0.198 0.000 1.150 257 N HN 0.910 nan 8.380 nan 0.000 0.507 258 G N 0.320 108.568 108.800 -0.920 0.000 2.543 258 G HA2 0.102 4.175 3.960 0.190 0.000 0.290 258 G HA3 0.102 4.175 3.960 0.190 0.000 0.290 258 G C 0.487 175.261 174.900 -0.211 0.000 1.310 258 G CA -0.363 44.398 45.100 -0.565 0.000 1.025 258 G HN 0.537 nan 8.290 nan 0.000 0.502 259 E N -1.141 119.000 120.200 -0.098 0.000 2.077 259 E HA -0.065 4.399 4.350 0.190 0.000 0.193 259 E C 2.009 178.580 176.600 -0.048 0.000 0.989 259 E CA 0.896 57.261 56.400 -0.058 0.000 0.800 259 E CB -0.025 29.660 29.700 -0.025 0.000 0.746 259 E HN 0.431 nan 8.360 nan 0.000 0.452 260 L N -0.351 120.856 121.223 -0.027 0.000 2.624 260 L HA 0.289 4.743 4.340 0.190 0.000 0.222 260 L C 0.714 177.559 176.870 -0.041 0.000 1.046 260 L CA -0.167 54.654 54.840 -0.033 0.000 0.872 260 L CB 0.648 42.694 42.059 -0.022 0.000 1.190 260 L HN -0.035 nan 8.230 nan 0.000 0.487 261 I N 0.594 121.176 120.570 0.019 0.000 2.428 261 I HA 0.229 4.513 4.170 0.190 0.000 0.296 261 I C -0.341 175.798 176.117 0.038 0.000 0.985 261 I CA -0.193 61.127 61.300 0.033 0.000 1.260 261 I CB 1.411 39.478 38.000 0.112 0.000 1.389 261 I HN -0.015 nan 8.210 nan 0.000 0.484 262 K N 3.760 124.105 120.400 -0.091 0.000 2.422 262 K HA 0.658 5.091 4.320 0.190 0.000 0.251 262 K C -1.155 175.455 176.600 0.016 0.000 0.933 262 K CA -0.683 55.568 56.287 -0.060 0.000 0.798 262 K CB 2.420 34.779 32.500 -0.235 0.000 1.238 262 K HN 0.522 nan 8.250 nan 0.000 0.428 263 S N 1.669 117.547 115.700 0.297 0.000 2.546 263 S HA 0.356 4.940 4.470 0.190 0.000 0.274 263 S C -2.077 172.822 174.600 0.497 0.000 1.121 263 S CA -0.714 57.719 58.200 0.388 0.000 0.887 263 S CB 1.330 64.740 63.200 0.350 0.000 1.094 263 S HN 0.613 nan 8.310 nan 0.000 0.474 264 Q N 2.661 122.773 119.800 0.520 0.000 2.289 264 Q HA 0.706 5.160 4.340 0.190 0.000 0.270 264 Q C -2.020 174.291 176.000 0.518 0.000 1.038 264 Q CA -1.040 55.027 55.803 0.439 0.000 0.812 264 Q CB 1.743 30.630 28.738 0.250 0.000 1.300 264 Q HN 0.450 nan 8.270 nan 0.000 0.427 265 L N 4.184 125.664 121.223 0.429 0.000 2.372 265 L HA 0.627 5.081 4.340 0.190 0.000 0.273 265 L C -1.801 175.210 176.870 0.235 0.000 0.989 265 L CA -0.576 54.467 54.840 0.339 0.000 0.841 265 L CB 1.521 43.688 42.059 0.182 0.000 1.225 265 L HN 0.810 nan 8.230 nan 0.000 0.414 266 I N 3.948 124.664 120.570 0.243 0.000 2.498 266 I HA 0.496 4.779 4.170 0.190 0.000 0.290 266 I C -0.469 175.767 176.117 0.198 0.000 1.032 266 I CA -0.495 60.931 61.300 0.209 0.000 1.073 266 I CB 2.368 40.548 38.000 0.299 0.000 1.251 266 I HN 0.532 nan 8.210 nan 0.000 0.426 267 T N 2.235 116.880 114.554 0.150 0.000 2.856 267 T HA 0.547 5.011 4.350 0.190 0.000 0.283 267 T C -0.426 174.404 174.700 0.216 0.000 1.008 267 T CA -0.834 61.381 62.100 0.192 0.000 0.997 267 T CB 1.959 70.919 68.868 0.153 0.000 0.992 267 T HN 0.529 nan 8.240 nan 0.000 0.454 268 S N 1.533 117.389 115.700 0.261 0.000 2.548 268 S HA 0.656 5.240 4.470 0.190 0.000 0.276 268 S C -2.049 172.724 174.600 0.290 0.000 1.129 268 S CA -0.753 57.599 58.200 0.253 0.000 0.931 268 S CB 1.205 64.530 63.200 0.208 0.000 1.068 268 S HN 0.742 nan 8.310 nan 0.000 0.480 269 Y N 2.615 122.979 120.300 0.107 0.000 2.386 269 Y HA 0.706 5.370 4.550 0.190 0.000 0.334 269 Y C -0.950 174.940 175.900 -0.018 0.000 1.002 269 Y CA -0.354 57.749 58.100 0.006 0.000 1.068 269 Y CB 1.918 40.408 38.460 0.050 0.000 1.203 269 Y HN 0.586 nan 8.280 nan 0.000 0.443 270 S N 4.949 120.233 115.700 -0.694 0.000 2.521 270 S HA 0.375 4.959 4.470 0.190 0.000 0.295 270 S C -1.880 172.265 174.600 -0.757 0.000 1.098 270 S CA -0.597 57.240 58.200 -0.604 0.000 0.999 270 S CB 0.742 63.758 63.200 -0.306 0.000 1.034 270 S HN 0.804 nan 8.310 nan 0.000 0.483 271 H N 1.593 120.283 119.070 -0.634 0.000 2.970 271 H HA 0.528 5.198 4.556 0.190 0.000 0.315 271 H C -0.602 174.573 175.328 -0.254 0.000 0.992 271 H CA -0.441 55.366 56.048 -0.403 0.000 1.363 271 H CB 0.551 30.160 29.762 -0.256 0.000 1.532 271 H HN 0.623 nan 8.280 nan 0.000 0.514 272 S N 4.347 120.074 115.700 0.045 0.000 2.607 272 S HA 0.617 5.201 4.470 0.190 0.000 0.303 272 S C -0.938 173.698 174.600 0.060 0.000 1.086 272 S CA -1.080 57.105 58.200 -0.025 0.000 0.995 272 S CB 2.686 65.838 63.200 -0.080 0.000 1.084 272 S HN 0.637 nan 8.310 nan 0.000 0.507 273 K N 0.795 121.209 120.400 0.023 0.000 2.482 273 K HA 0.481 4.915 4.320 0.190 0.000 0.251 273 K C -2.079 174.501 176.600 -0.034 0.000 0.936 273 K CA -0.590 55.688 56.287 -0.016 0.000 0.791 273 K CB 1.916 34.448 32.500 0.054 0.000 1.213 273 K HN 0.665 nan 8.250 nan 0.000 0.428 274 D N 2.629 122.920 120.400 -0.182 0.000 2.476 274 D HA 0.218 4.972 4.640 0.190 0.000 0.251 274 D C -1.465 174.729 176.300 -0.176 0.000 1.291 274 D CA -0.365 53.589 54.000 -0.077 0.000 0.939 274 D CB 0.545 41.318 40.800 -0.044 0.000 1.221 274 D HN 0.291 nan 8.370 nan 0.000 0.567 275 Y N 1.726 122.040 120.300 0.023 0.000 2.323 275 Y HA 0.440 5.104 4.550 0.189 0.000 0.331 275 Y C 0.938 176.847 175.900 0.016 0.000 1.092 275 Y CA -0.551 57.556 58.100 0.012 0.000 1.150 275 Y CB 1.258 39.728 38.460 0.016 0.000 1.200 275 Y HN 0.157 nan 8.280 nan 0.000 0.472 276 N N 1.975 120.764 118.700 0.149 0.000 2.346 276 N HA 0.667 5.520 4.740 0.190 0.000 0.289 276 N C -1.125 174.447 175.510 0.103 0.000 1.027 276 N CA -0.291 52.823 53.050 0.107 0.000 0.864 276 N CB 1.772 40.298 38.487 0.065 0.000 1.370 276 N HN 0.772 nan 8.380 nan 0.000 0.481 289 T N -0.533 114.042 114.554 0.035 0.000 2.884 289 T HA 0.568 5.031 4.350 0.190 0.000 0.298 289 T C -0.302 174.341 174.700 -0.094 0.000 0.998 289 T CA -0.107 61.959 62.100 -0.057 0.000 1.124 289 T CB 1.250 70.031 68.868 -0.145 0.000 0.931 289 T HN 1.331 nan 8.240 nan 0.000 0.531 290 L N 2.538 123.653 121.223 -0.180 0.000 2.404 290 L HA 0.625 5.079 4.340 0.190 0.000 0.272 290 L C -1.745 174.955 176.870 -0.284 0.000 0.980 290 L CA -0.514 54.116 54.840 -0.350 0.000 0.836 290 L CB 1.874 43.692 42.059 -0.403 0.000 1.238 290 L HN 0.630 nan 8.230 nan 0.000 0.408 291 D N 4.164 124.398 120.400 -0.278 0.000 2.303 291 D HA 0.425 5.179 4.640 0.190 0.000 0.236 291 D C -0.882 175.327 176.300 -0.152 0.000 1.068 291 D CA 0.119 54.012 54.000 -0.180 0.000 0.830 291 D CB 1.882 42.598 40.800 -0.140 0.000 1.109 291 D HN 0.665 nan 8.370 nan 0.000 0.496 292 E N 2.446 122.589 120.200 -0.095 0.000 2.256 292 E HA 0.547 5.011 4.350 0.190 0.000 0.268 292 E C -1.494 175.094 176.600 -0.021 0.000 0.877 292 E CA -0.792 55.584 56.400 -0.039 0.000 0.757 292 E CB 1.889 31.581 29.700 -0.013 0.000 1.183 292 E HN 0.363 nan 8.360 nan 0.000 0.418 293 M N 3.667 123.257 119.600 -0.016 0.000 2.446 293 M HA 0.475 5.069 4.480 0.190 0.000 0.294 293 M C -1.899 174.318 176.300 -0.138 0.000 1.158 293 M CA -0.575 54.693 55.300 -0.054 0.000 0.899 293 M CB 1.862 34.435 32.600 -0.045 0.000 1.687 293 M HN 0.363 nan 8.290 nan 0.000 0.455 294 K N 3.302 123.581 120.400 -0.202 0.000 2.244 294 K HA 0.400 4.833 4.320 0.190 0.000 0.260 294 K C -1.333 175.067 176.600 -0.333 0.000 0.951 294 K CA -0.643 55.415 56.287 -0.382 0.000 0.826 294 K CB 2.174 34.464 32.500 -0.350 0.000 1.108 294 K HN 0.639 nan 8.250 nan 0.000 0.433 295 Q N 3.305 122.832 119.800 -0.456 0.000 2.325 295 Q HA 0.287 4.741 4.340 0.190 0.000 0.270 295 Q C -1.641 174.186 176.000 -0.288 0.000 1.020 295 Q CA -0.750 54.893 55.803 -0.266 0.000 0.785 295 Q CB 0.941 29.581 28.738 -0.164 0.000 1.259 295 Q HN 0.491 nan 8.270 nan 0.000 0.452 296 Y N 1.190 121.497 120.300 0.012 0.000 2.360 296 Y HA 0.562 5.226 4.550 0.190 0.000 0.337 296 Y C -0.047 175.846 175.900 -0.011 0.000 1.039 296 Y CA -0.664 57.505 58.100 0.116 0.000 1.109 296 Y CB 2.357 40.947 38.460 0.217 0.000 1.201 296 Y HN 0.402 nan 8.280 nan 0.000 0.458 297 T N 2.660 117.387 114.554 0.289 0.000 2.916 297 T HA 0.677 5.141 4.350 0.190 0.000 0.298 297 T C -1.228 173.717 174.700 0.407 0.000 1.031 297 T CA -0.719 61.536 62.100 0.259 0.000 0.993 297 T CB 1.620 70.593 68.868 0.175 0.000 1.045 297 T HN 0.347 nan 8.240 nan 0.000 0.454 298 V N 3.643 123.861 119.914 0.506 0.000 2.686 298 V HA 0.680 4.914 4.120 0.190 0.000 0.306 298 V C -0.992 175.330 176.094 0.380 0.000 1.065 298 V CA -0.920 61.630 62.300 0.417 0.000 0.894 298 V CB 1.935 33.987 31.823 0.382 0.000 1.004 298 V HN 0.970 nan 8.190 nan 0.000 0.424 299 Q N 3.382 123.378 119.800 0.327 0.000 2.268 299 Q HA 0.478 4.931 4.340 0.190 0.000 0.266 299 Q C -2.127 174.111 176.000 0.397 0.000 1.006 299 Q CA -0.756 55.254 55.803 0.344 0.000 0.824 299 Q CB 2.531 31.454 28.738 0.308 0.000 1.306 299 Q HN 0.643 nan 8.270 nan 0.000 0.424 300 W N 2.977 124.383 121.300 0.178 0.000 2.532 300 W HA 0.772 5.545 4.660 0.189 0.000 0.321 300 W C -1.678 174.944 176.519 0.172 0.000 1.037 300 W CA -0.619 56.822 57.345 0.159 0.000 1.220 300 W CB 1.721 31.250 29.460 0.114 0.000 1.361 300 W HN 0.856 nan 8.180 nan 0.000 0.468 301 A N 5.804 128.687 122.820 0.105 0.000 2.435 301 A HA 0.778 5.212 4.320 0.190 0.000 0.304 301 A C -1.142 176.445 177.584 0.005 0.000 1.064 301 A CA -0.732 51.332 52.037 0.045 0.000 0.727 301 A CB 1.493 20.673 19.000 0.300 0.000 1.284 301 A HN 0.623 nan 8.150 nan 0.000 0.415 302 N N 0.524 119.153 118.700 -0.118 0.000 2.321 302 N HA 0.558 5.412 4.740 0.190 0.000 0.290 302 N C -1.622 173.696 175.510 -0.319 0.000 1.212 302 N CA -0.497 52.425 53.050 -0.213 0.000 0.767 302 N CB 2.244 40.505 38.487 -0.377 0.000 1.494 302 N HN 0.772 nan 8.380 nan 0.000 0.479 303 N N -0.161 118.220 118.700 -0.532 0.000 2.406 303 N HA 0.423 5.276 4.740 0.190 0.000 0.283 303 N C -1.848 173.442 175.510 -0.367 0.000 1.074 303 N CA -0.643 52.079 53.050 -0.547 0.000 0.916 303 N CB 1.551 39.403 38.487 -1.057 0.000 1.639 303 N HN 0.265 nan 8.380 nan 0.000 0.485 304 V N 1.081 120.860 119.914 -0.224 0.000 2.604 304 V HA 0.650 4.884 4.120 0.190 0.000 0.305 304 V C 0.038 176.065 176.094 -0.111 0.000 1.043 304 V CA -0.856 61.356 62.300 -0.147 0.000 0.888 304 V CB 1.247 33.007 31.823 -0.104 0.000 0.995 304 V HN 0.612 nan 8.190 nan 0.000 0.429 305 I N 4.737 125.253 120.570 -0.090 0.000 2.533 305 I HA 0.395 4.679 4.170 0.190 0.000 0.284 305 I C -0.403 175.680 176.117 -0.056 0.000 1.109 305 I CA 0.239 61.500 61.300 -0.064 0.000 1.412 305 I CB 1.118 39.083 38.000 -0.058 0.000 1.396 305 I HN 0.571 nan 8.210 nan 0.000 0.543 306 V N 5.544 125.431 119.914 -0.046 0.000 2.612 306 V HA 0.713 4.947 4.120 0.190 0.000 0.301 306 V C 0.566 176.639 176.094 -0.036 0.000 1.059 306 V CA -0.396 61.879 62.300 -0.042 0.000 0.886 306 V CB 0.672 32.477 31.823 -0.029 0.000 1.007 306 V HN 1.099 nan 8.190 nan 0.000 0.426 307 G N 3.521 112.283 108.800 -0.064 0.000 2.596 307 G HA2 -0.244 3.830 3.960 0.190 0.000 0.295 307 G HA3 -0.244 3.830 3.960 0.190 0.000 0.295 307 G C -0.093 174.699 174.900 -0.180 0.000 1.240 307 G CA 0.370 45.416 45.100 -0.090 0.000 0.985 307 G HN 0.976 nan 8.290 nan 0.000 0.555 308 H N 2.154 121.246 119.070 0.037 0.000 2.741 308 H HA 0.528 5.198 4.556 0.189 0.000 0.261 308 H C 0.875 176.231 175.328 0.047 0.000 1.365 308 H CA 0.674 56.746 56.048 0.040 0.000 1.266 308 H CB 0.016 29.809 29.762 0.051 0.000 1.485 308 H HN 1.460 nan 8.280 nan 0.000 0.529 309 G N 0.952 109.807 108.800 0.092 0.000 2.352 309 G HA2 0.191 4.265 3.960 0.190 0.000 0.283 309 G HA3 0.191 4.265 3.960 0.190 0.000 0.283 309 G C -1.294 173.623 174.900 0.029 0.000 1.308 309 G CA -0.258 44.888 45.100 0.077 0.000 0.892 309 G HN 0.577 nan 8.290 nan 0.000 0.504 310 S N -1.495 114.221 115.700 0.027 0.000 2.596 310 S HA 0.811 5.395 4.470 0.190 0.000 0.270 310 S C -1.214 173.384 174.600 -0.004 0.000 1.155 310 S CA -0.361 57.834 58.200 -0.008 0.000 0.827 310 S CB 2.023 65.210 63.200 -0.023 0.000 1.130 310 S HN 1.886 nan 8.310 nan 0.000 0.467 311 I N 0.693 121.242 120.570 -0.036 0.000 2.686 311 I HA 0.793 5.076 4.170 0.190 0.000 0.295 311 I C -0.255 175.822 176.117 -0.067 0.000 1.114 311 I CA -0.376 60.905 61.300 -0.031 0.000 1.038 311 I CB 1.798 39.779 38.000 -0.031 0.000 1.238 311 I HN 1.107 nan 8.210 nan 0.000 0.420 312 G N 4.555 113.333 108.800 -0.037 0.000 2.725 312 G HA2 0.900 4.973 3.960 0.190 0.000 0.288 312 G HA3 0.900 4.973 3.960 0.190 0.000 0.288 312 G C -1.995 172.863 174.900 -0.071 0.000 1.399 312 G CA -0.429 44.638 45.100 -0.055 0.000 0.859 312 G HN 0.973 nan 8.290 nan 0.000 0.479 313 A N -1.294 121.431 122.820 -0.158 0.000 2.594 313 A HA 0.948 5.382 4.320 0.190 0.000 0.296 313 A C -0.257 177.005 177.584 -0.537 0.000 1.056 313 A CA 0.209 52.018 52.037 -0.381 0.000 0.693 313 A CB 1.486 20.307 19.000 -0.298 0.000 1.278 313 A HN 2.251 nan 8.150 nan 0.000 0.408 314 G N -0.748 107.429 108.800 -1.039 0.000 2.645 314 G HA2 0.689 4.763 3.960 0.190 0.000 0.292 314 G HA3 0.689 4.763 3.960 0.190 0.000 0.292 314 G C -1.770 172.897 174.900 -0.387 0.000 1.415 314 G CA -0.307 44.435 45.100 -0.596 0.000 0.785 314 G HN 1.361 nan 8.290 nan 0.000 0.483 315 V N 0.250 120.165 119.914 0.001 0.000 2.823 315 V HA 0.691 4.924 4.120 0.190 0.000 0.312 315 V C -1.346 174.924 176.094 0.293 0.000 1.072 315 V CA -0.631 61.766 62.300 0.161 0.000 0.937 315 V CB 2.161 34.091 31.823 0.179 0.000 1.013 315 V HN 0.728 nan 8.190 nan 0.000 0.430 316 D N 2.082 122.672 120.400 0.316 0.000 2.686 316 D HA 0.382 5.136 4.640 0.190 0.000 0.249 316 D C -1.658 174.862 176.300 0.367 0.000 1.260 316 D CA -0.204 53.999 54.000 0.339 0.000 0.910 316 D CB 1.753 42.743 40.800 0.317 0.000 1.323 316 D HN 0.512 nan 8.370 nan 0.000 0.561 317 W N 3.777 125.174 121.300 0.162 0.000 2.819 317 W HA 0.551 5.324 4.660 0.189 0.000 0.337 317 W C -1.530 175.074 176.519 0.142 0.000 1.077 317 W CA -0.552 56.873 57.345 0.134 0.000 1.226 317 W CB 1.298 30.825 29.460 0.112 0.000 1.419 317 W HN 0.252 nan 8.180 nan 0.000 0.502 318 Q N 5.127 124.430 119.800 -0.830 0.000 2.284 318 Q HA 0.325 4.779 4.340 0.190 0.000 0.269 318 Q C -1.812 173.599 176.000 -0.981 0.000 1.026 318 Q CA -0.826 54.538 55.803 -0.733 0.000 0.831 318 Q CB 2.127 30.718 28.738 -0.245 0.000 1.322 318 Q HN 0.576 nan 8.270 nan 0.000 0.419 319 K N 3.195 123.125 120.400 -0.783 0.000 2.378 319 K HA 0.432 4.865 4.320 0.190 0.000 0.252 319 K C -1.462 175.132 176.600 -0.009 0.000 0.931 319 K CA -0.362 55.704 56.287 -0.367 0.000 0.794 319 K CB 1.969 34.266 32.500 -0.339 0.000 1.181 319 K HN 0.664 nan 8.250 nan 0.000 0.425 320 Q N 2.164 121.977 119.800 0.022 0.000 2.310 320 Q HA 0.264 4.717 4.340 0.190 0.000 0.270 320 Q C -1.266 174.793 176.000 0.099 0.000 1.025 320 Q CA -0.880 54.955 55.803 0.054 0.000 0.772 320 Q CB 2.411 31.158 28.738 0.016 0.000 1.253 320 Q HN 0.773 nan 8.270 nan 0.000 0.450 321 T N -0.971 113.654 114.554 0.118 0.000 2.841 321 T HA 0.703 5.167 4.350 0.190 0.000 0.283 321 T C 0.058 174.791 174.700 0.055 0.000 1.000 321 T CA -0.693 61.470 62.100 0.105 0.000 0.977 321 T CB 1.694 70.643 68.868 0.136 0.000 0.979 321 T HN 0.534 nan 8.240 nan 0.000 0.446 322 T N -0.315 114.275 114.554 0.060 0.000 2.942 322 T HA 0.631 5.094 4.350 0.190 0.000 0.289 322 T C 0.018 174.724 174.700 0.009 0.000 1.044 322 T CA -0.735 61.386 62.100 0.035 0.000 1.023 322 T CB 1.459 70.369 68.868 0.071 0.000 1.123 322 T HN 0.609 nan 8.240 nan 0.000 0.512 323 T N 3.494 118.043 114.554 -0.008 0.000 2.909 323 T HA 0.440 4.903 4.350 0.190 0.000 0.289 323 T C -2.442 172.239 174.700 -0.033 0.000 1.005 323 T CA -0.862 61.224 62.100 -0.023 0.000 1.084 323 T CB 0.582 69.437 68.868 -0.022 0.000 0.975 323 T HN 0.487 nan 8.240 nan 0.000 0.509 324 P HA 0.070 nan 4.420 nan 0.000 0.261 324 P C 0.863 178.144 177.300 -0.032 0.000 1.165 324 P CA 1.091 64.159 63.100 -0.052 0.000 0.759 324 P CB 0.090 31.758 31.700 -0.054 0.000 0.772 325 G N 1.564 110.355 108.800 -0.015 0.000 2.143 325 G HA2 -0.213 3.861 3.960 0.190 0.000 0.249 325 G HA3 -0.213 3.861 3.960 0.190 0.000 0.249 325 G C 0.184 175.043 174.900 -0.069 0.000 0.981 325 G CA 0.026 45.110 45.100 -0.026 0.000 0.665 325 G HN 0.591 nan 8.290 nan 0.000 0.528 326 T N 0.412 114.942 114.554 -0.040 0.000 2.771 326 T HA 0.544 5.008 4.350 0.190 0.000 0.291 326 T C 1.370 176.059 174.700 -0.018 0.000 0.954 326 T CA 1.036 63.100 62.100 -0.059 0.000 1.045 326 T CB 1.295 70.145 68.868 -0.029 0.000 0.917 326 T HN 1.880 nan 8.240 nan 0.000 0.484 327 G N 2.599 111.352 108.800 -0.079 0.000 2.176 327 G HA2 -0.311 3.763 3.960 0.190 0.000 0.252 327 G HA3 -0.311 3.763 3.960 0.190 0.000 0.252 327 G C 0.267 175.249 174.900 0.137 0.000 1.024 327 G CA 0.105 45.213 45.100 0.013 0.000 0.755 327 G HN 0.958 nan 8.290 nan 0.000 0.507 328 Y N -3.886 116.442 120.300 0.046 0.000 3.305 328 Y HA -0.195 4.469 4.550 0.189 0.000 0.212 328 Y C 0.831 176.778 175.900 0.079 0.000 1.248 328 Y CA 0.681 58.809 58.100 0.046 0.000 1.359 328 Y CB -1.739 36.744 38.460 0.037 0.000 1.407 328 Y HN 0.480 nan 8.280 nan 0.000 0.572 329 V N -0.060 119.969 119.914 0.193 0.000 2.604 329 V HA 0.158 4.391 4.120 0.190 0.000 0.305 329 V C 1.062 177.252 176.094 0.161 0.000 1.043 329 V CA -0.951 61.481 62.300 0.219 0.000 0.888 329 V CB 1.920 33.914 31.823 0.285 0.000 0.995 329 V HN 0.318 nan 8.190 nan 0.000 0.429 330 E N 1.536 121.828 120.200 0.153 0.000 2.007 330 E HA -0.113 4.351 4.350 0.190 0.000 0.194 330 E C -0.099 176.504 176.600 0.004 0.000 0.999 330 E CA 1.133 57.579 56.400 0.076 0.000 0.811 330 E CB 0.134 29.879 29.700 0.075 0.000 0.762 330 E HN 0.736 nan 8.360 nan 0.000 0.450 331 D N -0.087 120.277 120.400 -0.060 0.000 2.344 331 D HA 0.219 4.973 4.640 0.190 0.000 0.244 331 D C 0.089 176.172 176.300 -0.362 0.000 1.134 331 D CA 0.094 53.931 54.000 -0.272 0.000 0.930 331 D CB 0.800 41.292 40.800 -0.512 0.000 1.175 331 D HN 0.072 nan 8.370 nan 0.000 0.437 332 G N -0.077 108.507 108.800 -0.360 0.000 2.415 332 G HA2 0.396 4.470 3.960 0.190 0.000 0.269 332 G HA3 0.396 4.470 3.960 0.190 0.000 0.269 332 G C -1.070 173.536 174.900 -0.491 0.000 1.209 332 G CA -0.157 44.782 45.100 -0.269 0.000 0.835 332 G HN 0.246 nan 8.290 nan 0.000 0.534 333 Y N -0.265 120.012 120.300 -0.037 0.000 2.587 333 Y HA 0.493 5.156 4.550 0.189 0.000 0.337 333 Y C -0.273 175.619 175.900 -0.012 0.000 1.065 333 Y CA -0.952 57.116 58.100 -0.054 0.000 1.126 333 Y CB 2.698 41.119 38.460 -0.065 0.000 1.279 333 Y HN 0.463 nan 8.280 nan 0.000 0.489 334 D N 1.298 121.815 120.400 0.195 0.000 2.575 334 D HA 0.245 4.999 4.640 0.190 0.000 0.250 334 D C -1.487 174.886 176.300 0.121 0.000 1.279 334 D CA -0.463 53.609 54.000 0.120 0.000 0.925 334 D CB 0.900 41.744 40.800 0.074 0.000 1.261 334 D HN 0.571 nan 8.370 nan 0.000 0.567 335 Q N 2.663 122.519 119.800 0.093 0.000 2.337 335 Q HA 0.621 5.074 4.340 0.190 0.000 0.266 335 Q C -0.306 175.692 176.000 -0.004 0.000 1.023 335 Q CA -0.805 55.035 55.803 0.062 0.000 0.829 335 Q CB 2.760 31.540 28.738 0.069 0.000 1.306 335 Q HN 0.261 nan 8.270 nan 0.000 0.449 336 R N 1.550 122.042 120.500 -0.015 0.000 2.750 336 R HA 0.546 5.000 4.340 0.190 0.000 0.281 336 R C -1.092 175.165 176.300 -0.071 0.000 0.972 336 R CA -0.837 55.221 56.100 -0.071 0.000 0.912 336 R CB 1.717 32.043 30.300 0.043 0.000 1.187 336 R HN 0.537 nan 8.270 nan 0.000 0.464 337 N N -0.001 118.624 118.700 -0.125 0.000 2.369 337 N HA 0.351 5.204 4.740 0.190 0.000 0.287 337 N C -1.925 173.607 175.510 0.037 0.000 1.067 337 N CA -0.307 52.718 53.050 -0.040 0.000 0.888 337 N CB 2.264 40.742 38.487 -0.014 0.000 1.616 337 N HN 0.436 nan 8.380 nan 0.000 0.482 338 T N 1.089 115.723 114.554 0.132 0.000 2.881 338 T HA 0.741 5.205 4.350 0.190 0.000 0.290 338 T C -0.379 174.432 174.700 0.185 0.000 1.000 338 T CA -0.769 61.466 62.100 0.224 0.000 0.978 338 T CB 1.555 70.585 68.868 0.270 0.000 0.997 338 T HN 0.541 nan 8.240 nan 0.000 0.443 339 G N 1.366 110.297 108.800 0.218 0.000 2.519 339 G HA2 0.779 4.853 3.960 0.190 0.000 0.307 339 G HA3 0.779 4.853 3.960 0.190 0.000 0.307 339 G C -1.590 173.449 174.900 0.231 0.000 1.266 339 G CA -0.650 44.583 45.100 0.222 0.000 0.970 339 G HN 0.839 nan 8.290 nan 0.000 0.481 340 I N 1.137 121.824 120.570 0.195 0.000 2.545 340 I HA 0.766 5.050 4.170 0.190 0.000 0.292 340 I C -1.302 174.910 176.117 0.158 0.000 1.040 340 I CA -1.301 60.071 61.300 0.120 0.000 1.068 340 I CB 1.820 39.852 38.000 0.053 0.000 1.251 340 I HN 0.686 nan 8.210 nan 0.000 0.424 341 Y N 5.695 126.020 120.300 0.042 0.000 2.615 341 Y HA 0.809 5.473 4.550 0.190 0.000 0.341 341 Y C -2.220 173.686 175.900 0.010 0.000 1.089 341 Y CA -1.436 56.681 58.100 0.029 0.000 1.049 341 Y CB 1.225 39.697 38.460 0.020 0.000 1.296 341 Y HN 0.489 nan 8.280 nan 0.000 0.470 342 L N 2.444 123.767 121.223 0.167 0.000 2.408 342 L HA 0.797 5.250 4.340 0.190 0.000 0.268 342 L C -0.631 176.348 176.870 0.182 0.000 0.986 342 L CA -0.189 54.698 54.840 0.078 0.000 0.820 342 L CB 2.321 44.400 42.059 0.035 0.000 1.303 342 L HN 1.041 nan 8.230 nan 0.000 0.411 343 T N 0.770 115.414 114.554 0.151 0.000 2.908 343 T HA 0.981 5.445 4.350 0.190 0.000 0.290 343 T C -0.261 174.487 174.700 0.081 0.000 1.034 343 T CA -0.472 61.707 62.100 0.132 0.000 1.010 343 T CB 1.919 70.876 68.868 0.148 0.000 1.068 343 T HN 0.941 nan 8.240 nan 0.000 0.481 344 G N 0.465 109.313 108.800 0.080 0.000 2.733 344 G HA2 0.605 4.679 3.960 0.190 0.000 0.297 344 G HA3 0.605 4.679 3.960 0.190 0.000 0.297 344 G C -2.197 172.754 174.900 0.085 0.000 1.422 344 G CA -0.834 44.307 45.100 0.068 0.000 0.942 344 G HN 0.978 nan 8.290 nan 0.000 0.510 345 L N 0.476 121.749 121.223 0.084 0.000 2.464 345 L HA 0.885 5.339 4.340 0.190 0.000 0.266 345 L C -1.173 175.772 176.870 0.124 0.000 0.965 345 L CA -0.582 54.321 54.840 0.106 0.000 0.833 345 L CB 2.440 44.549 42.059 0.082 0.000 1.296 345 L HN 0.571 nan 8.230 nan 0.000 0.405 346 Q N 2.453 122.363 119.800 0.183 0.000 2.309 346 Q HA 0.524 4.978 4.340 0.190 0.000 0.273 346 Q C -1.846 174.313 176.000 0.265 0.000 1.040 346 Q CA -0.313 55.614 55.803 0.207 0.000 0.834 346 Q CB 2.383 31.233 28.738 0.186 0.000 1.345 346 Q HN 0.698 nan 8.270 nan 0.000 0.414 347 Q N 1.472 121.406 119.800 0.223 0.000 2.307 347 Q HA 0.705 5.159 4.340 0.190 0.000 0.262 347 Q C -1.141 174.981 176.000 0.204 0.000 0.961 347 Q CA -0.756 55.159 55.803 0.188 0.000 0.882 347 Q CB 2.044 30.847 28.738 0.108 0.000 1.264 347 Q HN 0.389 nan 8.270 nan 0.000 0.446 348 V N 2.503 122.577 119.914 0.266 0.000 2.447 348 V HA 0.524 4.758 4.120 0.190 0.000 0.292 348 V C 0.810 177.063 176.094 0.265 0.000 1.021 348 V CA -0.008 62.443 62.300 0.252 0.000 0.850 348 V CB 0.643 32.659 31.823 0.321 0.000 1.005 348 V HN 1.085 nan 8.190 nan 0.000 0.426 349 G N 4.634 113.523 108.800 0.149 0.000 2.665 349 G HA2 -0.317 3.757 3.960 0.190 0.000 0.326 349 G HA3 -0.317 3.757 3.960 0.190 0.000 0.326 349 G C 0.506 175.479 174.900 0.121 0.000 1.231 349 G CA 0.928 46.112 45.100 0.140 0.000 0.992 349 G HN 0.627 nan 8.290 nan 0.000 0.549 350 D N 0.770 121.261 120.400 0.152 0.000 2.339 350 D HA 0.268 5.022 4.640 0.190 0.000 0.217 350 D C 0.584 176.821 176.300 -0.105 0.000 1.050 350 D CA 0.323 54.327 54.000 0.006 0.000 0.856 350 D CB 0.055 40.871 40.800 0.028 0.000 0.922 350 D HN 0.178 nan 8.370 nan 0.000 0.518 351 F N 0.454 120.478 119.950 0.123 0.000 2.397 351 F HA 0.338 4.979 4.527 0.190 0.000 0.331 351 F C 0.899 176.586 175.800 -0.188 0.000 1.090 351 F CA -0.326 57.633 58.000 -0.068 0.000 1.065 351 F CB 1.670 40.588 39.000 -0.136 0.000 1.184 351 F HN -0.455 nan 8.300 nan 0.000 0.499 352 T N 3.428 117.851 114.554 -0.218 0.000 2.848 352 T HA 0.598 5.062 4.350 0.190 0.000 0.285 352 T C -1.210 173.232 174.700 -0.430 0.000 0.995 352 T CA -0.534 61.466 62.100 -0.167 0.000 0.970 352 T CB 0.603 69.427 68.868 -0.073 0.000 0.976 352 T HN 0.183 nan 8.240 nan 0.000 0.441 353 F N 1.649 121.670 119.950 0.117 0.000 2.507 353 F HA 0.637 5.278 4.527 0.190 0.000 0.325 353 F C 0.410 176.252 175.800 0.071 0.000 1.116 353 F CA -0.933 57.123 58.000 0.092 0.000 0.930 353 F CB 1.841 40.891 39.000 0.082 0.000 1.146 353 F HN 0.463 nan 8.300 nan 0.000 0.447 354 E N 1.329 121.660 120.200 0.219 0.000 2.367 354 E HA 0.808 5.272 4.350 0.190 0.000 0.273 354 E C -1.113 175.566 176.600 0.132 0.000 0.903 354 E CA -0.923 55.562 56.400 0.141 0.000 0.764 354 E CB 2.681 32.427 29.700 0.078 0.000 1.252 354 E HN 0.880 nan 8.360 nan 0.000 0.446 355 G N 0.555 109.422 108.800 0.112 0.000 2.601 355 G HA2 0.690 4.763 3.960 0.190 0.000 0.291 355 G HA3 0.690 4.763 3.960 0.190 0.000 0.291 355 G C -1.799 173.165 174.900 0.107 0.000 1.456 355 G CA -0.099 45.072 45.100 0.119 0.000 0.804 355 G HN 0.656 nan 8.290 nan 0.000 0.499 356 A N -1.059 121.834 122.820 0.122 0.000 2.612 356 A HA 1.088 5.521 4.320 0.190 0.000 0.293 356 A C -0.693 176.994 177.584 0.172 0.000 1.075 356 A CA 0.063 52.172 52.037 0.121 0.000 0.680 356 A CB 1.542 20.574 19.000 0.054 0.000 1.279 356 A HN 2.589 nan 8.150 nan 0.000 0.411 357 A N 0.717 123.646 122.820 0.182 0.000 2.513 357 A HA 0.827 5.260 4.320 0.190 0.000 0.296 357 A C -0.733 176.967 177.584 0.193 0.000 1.052 357 A CA -0.316 51.841 52.037 0.201 0.000 0.714 357 A CB 1.301 20.403 19.000 0.171 0.000 1.279 357 A HN 1.268 nan 8.150 nan 0.000 0.397 358 R N 0.842 121.453 120.500 0.185 0.000 2.725 358 R HA 0.766 5.219 4.340 0.190 0.000 0.277 358 R C -1.281 175.111 176.300 0.153 0.000 0.987 358 R CA -0.177 56.043 56.100 0.201 0.000 0.901 358 R CB 2.109 32.534 30.300 0.208 0.000 1.207 358 R HN 0.787 nan 8.270 nan 0.000 0.463 359 S N 1.677 117.466 115.700 0.149 0.000 2.561 359 S HA 0.395 4.979 4.470 0.190 0.000 0.303 359 S C -1.574 173.114 174.600 0.147 0.000 1.110 359 S CA -0.758 57.510 58.200 0.114 0.000 1.034 359 S CB 1.099 64.342 63.200 0.072 0.000 1.010 359 S HN 0.586 nan 8.310 nan 0.000 0.482 360 D N 2.675 123.168 120.400 0.156 0.000 2.256 360 D HA 0.298 5.052 4.640 0.190 0.000 0.246 360 D C -1.369 174.982 176.300 0.086 0.000 1.042 360 D CA -0.326 53.778 54.000 0.172 0.000 0.841 360 D CB 1.810 42.783 40.800 0.287 0.000 1.223 360 D HN 0.459 nan 8.370 nan 0.000 0.470 361 D N 1.583 122.004 120.400 0.036 0.000 2.462 361 D HA 0.106 4.860 4.640 0.190 0.000 0.245 361 D C -0.782 175.431 176.300 -0.145 0.000 1.122 361 D CA -0.474 53.497 54.000 -0.048 0.000 0.864 361 D CB 0.705 41.509 40.800 0.006 0.000 1.098 361 D HN 0.205 nan 8.370 nan 0.000 0.541 362 N N 1.890 120.336 118.700 -0.423 0.000 2.421 362 N HA 0.030 4.884 4.740 0.190 0.000 0.285 362 N C 1.172 176.459 175.510 -0.372 0.000 1.027 362 N CA -0.207 52.508 53.050 -0.558 0.000 0.918 362 N CB 1.377 38.977 38.487 -1.478 0.000 1.152 362 N HN 0.327 nan 8.380 nan 0.000 0.485 363 S N 2.469 118.065 115.700 -0.174 0.000 2.419 363 S HA -0.187 4.397 4.470 0.190 0.000 0.235 363 S C 1.472 176.044 174.600 -0.045 0.000 1.019 363 S CA 0.919 59.080 58.200 -0.066 0.000 0.982 363 S CB -0.011 63.191 63.200 0.004 0.000 0.789 363 S HN 0.712 nan 8.310 nan 0.000 0.490 364 Q N 1.007 120.766 119.800 -0.068 0.000 2.107 364 Q HA 0.041 4.495 4.340 0.190 0.000 0.195 364 Q C 1.807 177.837 176.000 0.051 0.000 0.964 364 Q CA 1.264 57.087 55.803 0.035 0.000 0.833 364 Q CB -0.109 28.698 28.738 0.115 0.000 0.910 364 Q HN 0.779 nan 8.270 nan 0.000 0.465 365 F N -1.221 118.739 119.950 0.017 0.000 2.749 365 F HA 0.526 5.166 4.527 0.189 0.000 0.300 365 F C 1.060 176.864 175.800 0.007 0.000 1.103 365 F CA 0.346 58.345 58.000 -0.003 0.000 1.342 365 F CB 0.001 38.977 39.000 -0.039 0.000 1.098 365 F HN 0.247 nan 8.300 nan 0.000 0.586 366 G N 1.663 110.327 108.800 -0.226 0.000 2.520 366 G HA2 -0.298 3.775 3.960 0.190 0.000 0.248 366 G HA3 -0.298 3.775 3.960 0.190 0.000 0.248 366 G C -0.454 174.378 174.900 -0.113 0.000 1.161 366 G CA -0.120 44.915 45.100 -0.107 0.000 0.946 366 G HN 0.707 nan 8.290 nan 0.000 0.565 367 R N 0.677 121.216 120.500 0.066 0.000 2.312 367 R HA 0.621 5.074 4.340 0.190 0.000 0.311 367 R C -0.849 175.588 176.300 0.229 0.000 1.004 367 R CA -0.395 55.764 56.100 0.098 0.000 0.902 367 R CB 0.617 30.958 30.300 0.068 0.000 1.073 367 R HN 0.863 nan 8.270 nan 0.000 0.457 368 H N 1.729 120.842 119.070 0.071 0.000 2.877 368 H HA 0.422 5.091 4.556 0.189 0.000 0.347 368 H C -1.022 174.294 175.328 -0.021 0.000 1.042 368 H CA -0.207 55.830 56.048 -0.017 0.000 1.276 368 H CB 1.978 31.619 29.762 -0.202 0.000 1.681 368 H HN 0.839 nan 8.280 nan 0.000 0.521 369 G N 2.399 110.972 108.800 -0.378 0.000 2.388 369 G HA2 0.535 4.609 3.960 0.190 0.000 0.330 369 G HA3 0.535 4.609 3.960 0.190 0.000 0.330 369 G C -0.796 173.968 174.900 -0.226 0.000 1.142 369 G CA -0.333 44.649 45.100 -0.198 0.000 0.908 369 G HN 0.714 nan 8.290 nan 0.000 0.473 370 T N -0.898 113.676 114.554 0.034 0.000 2.906 370 T HA 0.804 5.268 4.350 0.190 0.000 0.295 370 T C -0.823 174.051 174.700 0.290 0.000 1.075 370 T CA -0.905 61.283 62.100 0.146 0.000 1.005 370 T CB 2.206 71.183 68.868 0.181 0.000 1.136 370 T HN 1.107 nan 8.240 nan 0.000 0.498 371 W N 1.257 122.540 121.300 -0.028 0.000 3.074 371 W HA 0.699 5.473 4.660 0.190 0.000 0.332 371 W C -2.089 174.402 176.519 -0.047 0.000 1.253 371 W CA -1.209 56.129 57.345 -0.011 0.000 1.180 371 W CB 0.973 30.444 29.460 0.019 0.000 1.445 371 W HN 1.098 nan 8.180 nan 0.000 0.573 372 Q N 1.192 120.953 119.800 -0.066 0.000 2.391 372 Q HA 0.626 5.080 4.340 0.190 0.000 0.279 372 Q C -1.979 174.001 176.000 -0.034 0.000 1.028 372 Q CA -0.625 54.999 55.803 -0.298 0.000 0.836 372 Q CB 2.684 31.268 28.738 -0.256 0.000 1.414 372 Q HN 0.515 nan 8.270 nan 0.000 0.397 373 T N 0.348 114.863 114.554 -0.065 0.000 2.916 373 T HA 0.670 5.134 4.350 0.190 0.000 0.305 373 T C -1.478 173.262 174.700 0.067 0.000 1.119 373 T CA -0.290 61.872 62.100 0.102 0.000 1.008 373 T CB 2.072 71.096 68.868 0.259 0.000 1.129 373 T HN 0.563 nan 8.240 nan 0.000 0.480 374 S N 1.487 117.245 115.700 0.097 0.000 2.575 374 S HA 0.811 5.394 4.470 0.190 0.000 0.278 374 S C -1.081 173.568 174.600 0.083 0.000 1.139 374 S CA -0.601 57.631 58.200 0.053 0.000 0.954 374 S CB 1.591 64.791 63.200 -0.000 0.000 1.054 374 S HN 1.060 nan 8.310 nan 0.000 0.483 375 A N 1.958 124.799 122.820 0.035 0.000 2.355 375 A HA 0.930 5.364 4.320 0.190 0.000 0.317 375 A C 0.008 177.535 177.584 -0.096 0.000 1.094 375 A CA -0.664 51.340 52.037 -0.055 0.000 0.764 375 A CB 1.352 20.401 19.000 0.082 0.000 1.230 375 A HN 0.942 nan 8.150 nan 0.000 0.448 376 G N -0.120 108.602 108.800 -0.130 0.000 2.591 376 G HA2 0.534 4.607 3.960 0.190 0.000 0.306 376 G HA3 0.534 4.607 3.960 0.190 0.000 0.306 376 G C -1.810 173.132 174.900 0.069 0.000 1.334 376 G CA -0.403 44.670 45.100 -0.045 0.000 0.981 376 G HN 0.939 nan 8.290 nan 0.000 0.491 377 W N 2.645 123.890 121.300 -0.092 0.000 2.587 377 W HA 0.546 5.320 4.660 0.190 0.000 0.324 377 W C -0.518 175.964 176.519 -0.062 0.000 1.008 377 W CA -1.739 55.457 57.345 -0.247 0.000 1.265 377 W CB 1.482 30.868 29.460 -0.124 0.000 1.328 377 W HN 0.549 nan 8.180 nan 0.000 0.432 378 E N 5.767 125.830 120.200 -0.227 0.000 1.861 378 E HA 0.096 4.559 4.350 0.190 0.000 0.263 378 E C 0.724 176.978 176.600 -0.578 0.000 1.137 378 E CA -0.360 55.825 56.400 -0.358 0.000 0.944 378 E CB -0.203 29.360 29.700 -0.229 0.000 1.092 378 E HN 0.451 nan 8.360 nan 0.000 0.420 379 F N 3.161 122.549 119.950 -0.935 0.000 2.407 379 F HA 0.244 4.885 4.527 0.190 0.000 0.299 379 F C 0.237 175.779 175.800 -0.430 0.000 1.097 379 F CA -0.057 57.276 58.000 -1.113 0.000 1.422 379 F CB 0.031 38.078 39.000 -1.588 0.000 1.067 379 F HN 0.112 nan 8.300 nan 0.000 0.539 380 I N -0.047 120.167 120.570 -0.593 0.000 2.827 380 I HA 0.129 4.412 4.170 0.190 0.000 0.298 380 I C -0.596 175.385 176.117 -0.226 0.000 1.235 380 I CA -1.136 59.985 61.300 -0.298 0.000 1.021 380 I CB 2.310 40.150 38.000 -0.267 0.000 1.259 380 I HN -0.114 nan 8.210 nan 0.000 0.427 381 E N 3.365 123.501 120.200 -0.107 0.000 2.558 381 E HA 0.215 4.679 4.350 0.190 0.000 0.255 381 E C 1.064 177.606 176.600 -0.097 0.000 0.968 381 E CA 1.370 57.711 56.400 -0.098 0.000 0.939 381 E CB 0.320 29.984 29.700 -0.059 0.000 0.921 381 E HN 0.856 nan 8.360 nan 0.000 0.477 382 G N 3.337 112.006 108.800 -0.218 0.000 2.176 382 G HA2 -0.295 3.779 3.960 0.190 0.000 0.253 382 G HA3 -0.295 3.779 3.960 0.190 0.000 0.253 382 G C -0.585 173.899 174.900 -0.694 0.000 0.979 382 G CA 0.373 45.235 45.100 -0.397 0.000 0.641 382 G HN 0.528 nan 8.290 nan 0.000 0.530 383 Y N -0.416 119.621 120.300 -0.440 0.000 2.425 383 Y HA 0.793 5.457 4.550 0.190 0.000 0.344 383 Y C 0.454 175.971 175.900 -0.639 0.000 0.969 383 Y CA -0.968 56.792 58.100 -0.568 0.000 1.052 383 Y CB 1.985 39.982 38.460 -0.772 0.000 1.215 383 Y HN 0.269 nan 8.280 nan 0.000 0.451 384 R N 2.919 123.347 120.500 -0.120 0.000 2.548 384 R HA 0.457 4.911 4.340 0.190 0.000 0.280 384 R C -2.202 174.289 176.300 0.318 0.000 1.061 384 R CA -0.680 55.433 56.100 0.022 0.000 0.915 384 R CB 1.306 31.544 30.300 -0.103 0.000 1.210 384 R HN 0.607 nan 8.270 nan 0.000 0.442 385 F N 5.728 125.796 119.950 0.197 0.000 2.399 385 F HA 0.617 5.257 4.527 0.189 0.000 0.334 385 F C -0.958 174.799 175.800 -0.072 0.000 1.097 385 F CA -0.695 57.191 58.000 -0.190 0.000 1.076 385 F CB 0.869 39.676 39.000 -0.322 0.000 1.162 385 F HN 0.364 nan 8.300 nan 0.000 0.495 386 I N 5.100 125.104 120.570 -0.943 0.000 2.533 386 I HA 0.607 4.891 4.170 0.190 0.000 0.290 386 I C -0.947 174.618 176.117 -0.920 0.000 1.056 386 I CA -0.961 59.934 61.300 -0.675 0.000 1.057 386 I CB 1.900 39.698 38.000 -0.337 0.000 1.240 386 I HN 0.754 nan 8.210 nan 0.000 0.423 387 A N 4.190 126.682 122.820 -0.547 0.000 2.355 387 A HA 0.896 5.330 4.320 0.190 0.000 0.317 387 A C -0.734 176.799 177.584 -0.085 0.000 1.094 387 A CA -0.424 51.442 52.037 -0.284 0.000 0.764 387 A CB 1.523 20.470 19.000 -0.089 0.000 1.230 387 A HN 0.598 nan 8.150 nan 0.000 0.448 388 S N 0.130 115.820 115.700 -0.015 0.000 2.570 388 S HA 0.747 5.331 4.470 0.190 0.000 0.286 388 S C -1.596 173.028 174.600 0.040 0.000 1.099 388 S CA -0.364 57.833 58.200 -0.006 0.000 0.913 388 S CB 1.492 64.657 63.200 -0.057 0.000 1.085 388 S HN 0.796 nan 8.310 nan 0.000 0.480 389 Y N 0.277 120.449 120.300 -0.212 0.000 2.504 389 Y HA 0.684 5.347 4.550 0.190 0.000 0.344 389 Y C -0.420 175.152 175.900 -0.546 0.000 1.023 389 Y CA -0.307 57.543 58.100 -0.417 0.000 1.020 389 Y CB 1.618 39.809 38.460 -0.448 0.000 1.282 389 Y HN 0.862 nan 8.280 nan 0.000 0.454 390 G N 2.069 109.994 108.800 -1.459 0.000 2.720 390 G HA2 0.513 4.587 3.960 0.190 0.000 0.295 390 G HA3 0.513 4.587 3.960 0.190 0.000 0.295 390 G C -1.473 172.726 174.900 -1.168 0.000 1.437 390 G CA -0.597 43.800 45.100 -1.173 0.000 0.886 390 G HN 0.811 nan 8.290 nan 0.000 0.509 391 T N -1.507 112.550 114.554 -0.829 0.000 2.918 391 T HA 0.861 5.325 4.350 0.190 0.000 0.286 391 T C 0.233 174.808 174.700 -0.209 0.000 1.026 391 T CA -0.109 61.718 62.100 -0.456 0.000 1.031 391 T CB 1.751 70.470 68.868 -0.248 0.000 1.046 391 T HN 1.591 nan 8.240 nan 0.000 0.479 392 S N 0.729 116.374 115.700 -0.090 0.000 2.656 392 S HA 0.825 5.408 4.470 0.190 0.000 0.273 392 S C -1.535 173.141 174.600 0.126 0.000 1.168 392 S CA -1.095 57.106 58.200 0.001 0.000 0.817 392 S CB 1.195 64.317 63.200 -0.131 0.000 1.146 392 S HN 1.428 nan 8.310 nan 0.000 0.475 393 Y N -1.054 119.211 120.300 -0.058 0.000 2.670 393 Y HA 0.866 5.530 4.550 0.190 0.000 0.334 393 Y C -1.448 174.365 175.900 -0.145 0.000 1.185 393 Y CA -1.111 56.923 58.100 -0.111 0.000 1.053 393 Y CB 1.087 39.498 38.460 -0.083 0.000 1.298 393 Y HN 0.868 nan 8.280 nan 0.000 0.459 394 K N 2.032 122.390 120.400 -0.069 0.000 2.426 394 K HA 0.823 5.256 4.320 0.190 0.000 0.254 394 K C -1.007 175.606 176.600 0.022 0.000 0.936 394 K CA -0.337 55.899 56.287 -0.086 0.000 0.801 394 K CB 1.826 34.328 32.500 0.003 0.000 1.139 394 K HN 1.078 nan 8.250 nan 0.000 0.424 395 A N 5.046 127.904 122.820 0.062 0.000 2.425 395 A HA 0.406 4.840 4.320 0.190 0.000 0.242 395 A C -2.208 175.367 177.584 -0.014 0.000 1.077 395 A CA -0.989 51.085 52.037 0.062 0.000 0.781 395 A CB -0.458 18.710 19.000 0.281 0.000 1.020 395 A HN 0.662 nan 8.150 nan 0.000 0.494 396 P HA 0.107 nan 4.420 nan 0.000 0.269 396 P C -0.555 176.701 177.300 -0.074 0.000 1.209 396 P CA -0.055 62.991 63.100 -0.091 0.000 0.776 396 P CB 0.494 32.121 31.700 -0.121 0.000 0.876 397 N N 1.672 120.298 118.700 -0.124 0.000 2.478 397 N HA 0.177 5.030 4.740 0.190 0.000 0.275 397 N C 0.800 176.234 175.510 -0.126 0.000 1.221 397 N CA -0.553 52.440 53.050 -0.095 0.000 0.979 397 N CB -0.012 38.425 38.487 -0.083 0.000 1.202 397 N HN 0.146 nan 8.380 nan 0.000 0.564 398 L N -0.733 120.461 121.223 -0.049 0.000 2.046 398 L HA -0.045 4.408 4.340 0.190 0.000 0.208 398 L C 2.293 179.156 176.870 -0.012 0.000 1.077 398 L CA 1.740 56.580 54.840 -0.002 0.000 0.747 398 L CB -0.999 41.119 42.059 0.098 0.000 0.896 398 L HN 0.879 nan 8.230 nan 0.000 0.432 399 G N -0.615 108.183 108.800 -0.003 0.000 2.421 399 G HA2 -0.265 3.809 3.960 0.190 0.000 0.216 399 G HA3 -0.265 3.809 3.960 0.190 0.000 0.216 399 G C 1.478 176.346 174.900 -0.054 0.000 1.171 399 G CA 0.407 45.526 45.100 0.032 0.000 0.775 399 G HN 0.409 nan 8.290 nan 0.000 0.543 400 Q N -0.365 119.277 119.800 -0.263 0.000 2.170 400 Q HA 0.088 4.541 4.340 0.190 0.000 0.203 400 Q C 2.572 178.412 176.000 -0.268 0.000 0.976 400 Q CA 0.733 56.251 55.803 -0.475 0.000 0.858 400 Q CB -0.146 28.221 28.738 -0.618 0.000 0.907 400 Q HN 0.440 nan 8.270 nan 0.000 0.433 401 L N -1.685 119.307 121.223 -0.384 0.000 2.102 401 L HA -0.060 4.394 4.340 0.190 0.000 0.202 401 L C 0.975 177.434 176.870 -0.684 0.000 1.076 401 L CA 1.013 55.424 54.840 -0.715 0.000 0.761 401 L CB 0.177 41.459 42.059 -1.294 0.000 0.921 401 L HN 0.242 nan 8.230 nan 0.000 0.444 402 Y N -1.439 118.815 120.300 -0.077 0.000 2.672 402 Y HA 0.342 5.006 4.550 0.189 0.000 0.252 402 Y C 1.317 177.257 175.900 0.066 0.000 1.132 402 Y CA -0.549 57.529 58.100 -0.036 0.000 1.228 402 Y CB 0.030 38.382 38.460 -0.179 0.000 1.310 402 Y HN -0.014 nan 8.280 nan 0.000 0.549 403 G N 0.104 109.014 108.800 0.183 0.000 2.529 403 G HA2 -0.067 4.007 3.960 0.190 0.000 0.277 403 G HA3 -0.067 4.007 3.960 0.190 0.000 0.277 403 G C 0.525 175.510 174.900 0.141 0.000 1.383 403 G CA -0.177 45.039 45.100 0.193 0.000 1.050 403 G HN 0.262 nan 8.290 nan 0.000 0.526 404 F N -0.770 119.117 119.950 -0.104 0.000 2.216 404 F HA 0.006 4.647 4.527 0.189 0.000 0.300 404 F C 1.575 177.222 175.800 -0.255 0.000 1.085 404 F CA 1.006 58.840 58.000 -0.276 0.000 1.326 404 F CB -0.087 38.588 39.000 -0.541 0.000 1.027 404 F HN 0.347 nan 8.300 nan 0.000 0.497 405 Y N 0.169 120.463 120.300 -0.009 0.000 2.683 405 Y HA 0.355 5.019 4.550 0.189 0.000 0.297 405 Y C 1.325 177.242 175.900 0.028 0.000 1.147 405 Y CA -0.550 57.501 58.100 -0.081 0.000 1.274 405 Y CB -0.576 37.850 38.460 -0.055 0.000 1.143 405 Y HN -0.022 nan 8.280 nan 0.000 0.527 406 G N 1.011 109.880 108.800 0.116 0.000 2.527 406 G HA2 0.069 4.143 3.960 0.190 0.000 0.248 406 G HA3 0.069 4.143 3.960 0.190 0.000 0.248 406 G C -0.548 174.343 174.900 -0.015 0.000 1.231 406 G CA -0.342 44.807 45.100 0.082 0.000 0.838 406 G HN 0.270 nan 8.290 nan 0.000 0.570 407 N N 1.390 120.043 118.700 -0.078 0.000 2.576 407 N HA 0.302 5.155 4.740 0.190 0.000 0.269 407 N C -1.809 173.608 175.510 -0.154 0.000 1.058 407 N CA -2.253 50.719 53.050 -0.129 0.000 0.860 407 N CB 2.583 40.943 38.487 -0.211 0.000 1.249 407 N HN 0.108 nan 8.380 nan 0.000 0.525 408 P HA 0.025 nan 4.420 nan 0.000 0.234 408 P C -0.135 177.127 177.300 -0.064 0.000 1.167 408 P CA 0.677 63.692 63.100 -0.142 0.000 0.763 408 P CB 0.416 32.161 31.700 0.076 0.000 0.835 409 N N -0.259 118.424 118.700 -0.028 0.000 2.251 409 N HA 0.136 4.990 4.740 0.190 0.000 0.217 409 N C 0.610 176.124 175.510 0.008 0.000 1.124 409 N CA -0.102 52.957 53.050 0.015 0.000 0.843 409 N CB 0.156 38.667 38.487 0.040 0.000 1.024 409 N HN 0.252 nan 8.380 nan 0.000 0.501 410 L N 0.749 121.950 121.223 -0.037 0.000 2.467 410 L HA 0.052 4.506 4.340 0.190 0.000 0.270 410 L C 0.612 177.458 176.870 -0.042 0.000 1.205 410 L CA 0.366 55.182 54.840 -0.040 0.000 0.828 410 L CB 0.423 42.431 42.059 -0.086 0.000 1.101 410 L HN -0.045 nan 8.230 nan 0.000 0.479 411 D N 1.012 121.366 120.400 -0.078 0.000 2.440 411 D HA 0.414 5.168 4.640 0.190 0.000 0.258 411 D C -2.346 173.751 176.300 -0.338 0.000 1.092 411 D CA -1.404 52.483 54.000 -0.188 0.000 1.016 411 D CB 0.964 41.688 40.800 -0.126 0.000 1.141 411 D HN 0.190 nan 8.370 nan 0.000 0.552 412 P HA 0.121 nan 4.420 nan 0.000 0.272 412 P C -0.504 176.623 177.300 -0.289 0.000 1.230 412 P CA -0.181 62.578 63.100 -0.569 0.000 0.788 412 P CB 0.589 31.734 31.700 -0.924 0.000 0.949 413 E N 1.305 121.417 120.200 -0.147 0.000 2.373 413 E HA 0.179 4.643 4.350 0.190 0.000 0.267 413 E C -0.325 176.233 176.600 -0.070 0.000 1.032 413 E CA -0.145 56.219 56.400 -0.060 0.000 0.889 413 E CB 0.467 30.192 29.700 0.041 0.000 0.984 413 E HN 0.290 nan 8.360 nan 0.000 0.425 414 K N 1.369 121.748 120.400 -0.035 0.000 2.345 414 K HA 0.367 4.801 4.320 0.190 0.000 0.255 414 K C -0.865 175.729 176.600 -0.010 0.000 0.934 414 K CA -0.568 55.727 56.287 0.012 0.000 0.801 414 K CB 2.100 34.634 32.500 0.058 0.000 1.137 414 K HN 0.330 nan 8.250 nan 0.000 0.424 415 S N 2.698 118.374 115.700 -0.039 0.000 2.500 415 S HA 0.435 5.019 4.470 0.190 0.000 0.301 415 S C -1.257 173.259 174.600 -0.141 0.000 1.092 415 S CA -0.869 57.282 58.200 -0.082 0.000 1.030 415 S CB 0.687 63.802 63.200 -0.142 0.000 1.031 415 S HN 0.484 nan 8.310 nan 0.000 0.483 416 K N 3.059 123.368 120.400 -0.151 0.000 2.244 416 K HA 0.470 4.904 4.320 0.190 0.000 0.260 416 K C -0.835 175.501 176.600 -0.440 0.000 0.951 416 K CA -0.616 55.433 56.287 -0.396 0.000 0.826 416 K CB 1.865 34.178 32.500 -0.312 0.000 1.108 416 K HN 0.618 nan 8.250 nan 0.000 0.433 417 Q N 2.061 121.448 119.800 -0.689 0.000 2.323 417 Q HA 0.375 4.829 4.340 0.190 0.000 0.271 417 Q C -1.204 174.538 176.000 -0.430 0.000 1.048 417 Q CA -0.772 54.828 55.803 -0.338 0.000 0.792 417 Q CB 2.328 30.933 28.738 -0.222 0.000 1.280 417 Q HN 0.470 nan 8.270 nan 0.000 0.441 418 W N 1.681 123.032 121.300 0.084 0.000 2.606 418 W HA 0.535 5.308 4.660 0.189 0.000 0.332 418 W C -0.000 176.594 176.519 0.125 0.000 1.052 418 W CA -0.411 57.018 57.345 0.139 0.000 1.223 418 W CB 2.011 31.576 29.460 0.174 0.000 1.383 418 W HN 0.659 nan 8.180 nan 0.000 0.524 419 E N 0.799 121.180 120.200 0.301 0.000 2.366 419 E HA 0.622 5.085 4.350 0.190 0.000 0.278 419 E C -1.020 175.655 176.600 0.125 0.000 0.923 419 E CA -0.557 55.976 56.400 0.221 0.000 0.761 419 E CB 2.387 32.174 29.700 0.145 0.000 1.231 419 E HN 0.545 nan 8.360 nan 0.000 0.443 420 G N 1.131 109.999 108.800 0.113 0.000 2.662 420 G HA2 0.753 4.827 3.960 0.190 0.000 0.302 420 G HA3 0.753 4.827 3.960 0.190 0.000 0.302 420 G C -1.520 173.386 174.900 0.011 0.000 1.389 420 G CA -0.204 44.895 45.100 -0.003 0.000 0.998 420 G HN 0.549 nan 8.290 nan 0.000 0.502 421 A N 1.071 123.778 122.820 -0.187 0.000 2.539 421 A HA 0.866 5.300 4.320 0.190 0.000 0.296 421 A C -1.800 175.755 177.584 -0.048 0.000 1.073 421 A CA -0.683 51.347 52.037 -0.012 0.000 0.700 421 A CB 1.387 20.380 19.000 -0.012 0.000 1.296 421 A HN 0.626 nan 8.150 nan 0.000 0.405 422 F N 0.954 121.078 119.950 0.289 0.000 2.482 422 F HA 0.509 5.150 4.527 0.189 0.000 0.331 422 F C 0.568 176.419 175.800 0.085 0.000 1.115 422 F CA -0.038 58.154 58.000 0.320 0.000 0.955 422 F CB 2.120 41.418 39.000 0.495 0.000 1.136 422 F HN 0.755 nan 8.300 nan 0.000 0.452 423 E N 2.289 122.504 120.200 0.024 0.000 2.336 423 E HA 0.901 5.364 4.350 0.190 0.000 0.267 423 E C -1.017 175.057 176.600 -0.875 0.000 0.906 423 E CA -1.280 54.837 56.400 -0.472 0.000 0.781 423 E CB 2.677 32.207 29.700 -0.284 0.000 1.261 423 E HN 0.703 nan 8.360 nan 0.000 0.436 424 G N 0.659 108.564 108.800 -1.491 0.000 2.698 424 G HA2 0.454 4.527 3.960 0.190 0.000 0.293 424 G HA3 0.454 4.527 3.960 0.190 0.000 0.293 424 G C -2.100 172.130 174.900 -1.117 0.000 1.437 424 G CA -0.859 43.332 45.100 -1.515 0.000 0.852 424 G HN 0.386 nan 8.290 nan 0.000 0.499 425 L N 0.957 121.689 121.223 -0.818 0.000 2.316 425 L HA 0.811 5.265 4.340 0.190 0.000 0.280 425 L C -0.477 176.283 176.870 -0.184 0.000 1.006 425 L CA -0.426 54.190 54.840 -0.373 0.000 0.836 425 L CB 1.595 43.467 42.059 -0.312 0.000 1.221 425 L HN 0.434 nan 8.230 nan 0.000 0.418 426 T N 4.507 119.146 114.554 0.142 0.000 2.890 426 T HA 0.629 5.092 4.350 0.190 0.000 0.295 426 T C 0.367 175.141 174.700 0.124 0.000 0.993 426 T CA 0.033 62.265 62.100 0.221 0.000 0.979 426 T CB 1.430 70.534 68.868 0.394 0.000 0.967 426 T HN 1.056 nan 8.240 nan 0.000 0.441 427 A N 2.127 124.995 122.820 0.080 0.000 2.745 427 A HA 0.085 4.519 4.320 0.190 0.000 0.296 427 A C 1.682 179.296 177.584 0.049 0.000 1.500 427 A CA 1.366 53.431 52.037 0.046 0.000 0.766 427 A CB -2.021 16.989 19.000 0.018 0.000 1.030 427 A HN 2.477 nan 8.150 nan 0.000 0.489 428 G N -3.840 104.998 108.800 0.063 0.000 2.176 428 G HA2 0.010 4.083 3.960 0.190 0.000 0.253 428 G HA3 0.010 4.083 3.960 0.190 0.000 0.253 428 G C 0.289 175.273 174.900 0.140 0.000 0.979 428 G CA 0.457 45.611 45.100 0.089 0.000 0.641 428 G HN 1.871 nan 8.290 nan 0.000 0.530 429 V N 1.843 121.839 119.914 0.137 0.000 2.370 429 V HA 0.437 4.670 4.120 0.190 0.000 0.283 429 V C -0.070 176.184 176.094 0.267 0.000 1.023 429 V CA -1.208 61.218 62.300 0.208 0.000 0.857 429 V CB 1.583 33.448 31.823 0.070 0.000 0.985 429 V HN 0.303 nan 8.190 nan 0.000 0.443 430 N N 6.396 125.234 118.700 0.231 0.000 2.419 430 N HA 0.420 5.274 4.740 0.190 0.000 0.264 430 N C -0.803 174.854 175.510 0.245 0.000 1.031 430 N CA -0.263 52.853 53.050 0.110 0.000 0.951 430 N CB 1.601 40.123 38.487 0.058 0.000 1.101 430 N HN 0.837 nan 8.380 nan 0.000 0.488 431 W N 1.514 122.840 121.300 0.044 0.000 3.032 431 W HA 0.638 5.411 4.660 0.188 0.000 0.341 431 W C -0.982 175.588 176.519 0.085 0.000 1.202 431 W CA -0.901 56.492 57.345 0.079 0.000 1.132 431 W CB 1.548 31.052 29.460 0.072 0.000 1.465 431 W HN 0.298 nan 8.180 nan 0.000 0.576 432 R N 1.770 122.542 120.500 0.453 0.000 2.561 432 R HA 0.607 5.061 4.340 0.190 0.000 0.266 432 R C -2.338 174.216 176.300 0.424 0.000 1.091 432 R CA -0.654 55.635 56.100 0.316 0.000 0.927 432 R CB 2.666 33.039 30.300 0.122 0.000 1.240 432 R HN 0.735 nan 8.270 nan 0.000 0.449 433 I N 2.703 123.550 120.570 0.462 0.000 2.499 433 I HA 0.457 4.740 4.170 0.190 0.000 0.288 433 I C -1.315 174.999 176.117 0.328 0.000 1.048 433 I CA -0.372 61.158 61.300 0.382 0.000 1.062 433 I CB 2.241 40.474 38.000 0.388 0.000 1.238 433 I HN 0.619 nan 8.210 nan 0.000 0.426 434 S N 4.482 120.344 115.700 0.269 0.000 2.513 434 S HA 0.790 5.374 4.470 0.190 0.000 0.299 434 S C -0.238 174.507 174.600 0.242 0.000 1.087 434 S CA -0.643 57.702 58.200 0.242 0.000 1.012 434 S CB 1.870 65.206 63.200 0.226 0.000 1.044 434 S HN 0.807 nan 8.310 nan 0.000 0.485 435 G N 1.489 110.417 108.800 0.213 0.000 2.452 435 G HA2 0.705 4.779 3.960 0.190 0.000 0.324 435 G HA3 0.705 4.779 3.960 0.190 0.000 0.324 435 G C -1.417 173.594 174.900 0.185 0.000 1.214 435 G CA -0.715 44.464 45.100 0.131 0.000 0.947 435 G HN 0.651 nan 8.290 nan 0.000 0.478 436 Y N -0.424 119.966 120.300 0.150 0.000 2.534 436 Y HA 0.804 5.467 4.550 0.189 0.000 0.345 436 Y C -0.528 175.476 175.900 0.174 0.000 1.031 436 Y CA -1.677 56.517 58.100 0.156 0.000 1.022 436 Y CB 1.822 40.350 38.460 0.115 0.000 1.292 436 Y HN 0.577 nan 8.280 nan 0.000 0.459 437 R N 2.724 123.460 120.500 0.393 0.000 2.561 437 R HA 0.456 4.910 4.340 0.190 0.000 0.297 437 R C -1.807 174.772 176.300 0.464 0.000 0.969 437 R CA -0.710 55.603 56.100 0.354 0.000 0.879 437 R CB 1.413 31.878 30.300 0.275 0.000 1.178 437 R HN 0.906 nan 8.270 nan 0.000 0.445 438 N N 2.928 121.846 118.700 0.362 0.000 2.491 438 N HA 0.193 5.046 4.740 0.190 0.000 0.274 438 N C -1.810 173.847 175.510 0.244 0.000 1.023 438 N CA -0.497 52.718 53.050 0.275 0.000 0.902 438 N CB 1.562 40.178 38.487 0.215 0.000 1.267 438 N HN 0.489 nan 8.380 nan 0.000 0.503 439 D N 2.135 122.698 120.400 0.272 0.000 2.317 439 D HA 0.261 5.015 4.640 0.190 0.000 0.234 439 D C -0.170 176.211 176.300 0.136 0.000 1.112 439 D CA -0.108 54.024 54.000 0.221 0.000 0.840 439 D CB 1.659 42.639 40.800 0.299 0.000 1.078 439 D HN 0.113 nan 8.370 nan 0.000 0.486 440 V N 1.932 121.915 119.914 0.115 0.000 2.483 440 V HA 0.643 4.877 4.120 0.190 0.000 0.295 440 V C 0.394 176.542 176.094 0.090 0.000 1.035 440 V CA -0.541 61.810 62.300 0.085 0.000 0.896 440 V CB 1.628 33.514 31.823 0.104 0.000 0.986 440 V HN 0.690 nan 8.190 nan 0.000 0.447 441 S N 1.288 117.032 115.700 0.073 0.000 2.685 441 S HA 0.597 5.181 4.470 0.190 0.000 0.282 441 S C -0.560 174.074 174.600 0.056 0.000 1.159 441 S CA -0.642 57.601 58.200 0.071 0.000 0.833 441 S CB 1.902 65.148 63.200 0.077 0.000 1.151 441 S HN 0.696 nan 8.310 nan 0.000 0.485 442 D N 0.167 120.599 120.400 0.054 0.000 2.811 442 D HA -0.123 4.631 4.640 0.190 0.000 0.231 442 D C -0.333 175.998 176.300 0.052 0.000 1.157 442 D CA 0.694 54.719 54.000 0.043 0.000 0.716 442 D CB -1.494 39.313 40.800 0.012 0.000 1.077 442 D HN 0.606 nan 8.370 nan 0.000 0.428 443 L N 0.298 121.567 121.223 0.077 0.000 2.525 443 L HA 0.017 4.470 4.340 0.190 0.000 0.278 443 L C 1.384 178.312 176.870 0.095 0.000 1.218 443 L CA 0.235 55.132 54.840 0.094 0.000 0.878 443 L CB 0.256 42.379 42.059 0.106 0.000 1.127 443 L HN 0.024 nan 8.230 nan 0.000 0.492 444 I N 3.708 124.329 120.570 0.084 0.000 2.389 444 I HA 0.039 4.322 4.170 0.190 0.000 0.295 444 I C -0.309 175.932 176.117 0.206 0.000 1.117 444 I CA 0.179 61.540 61.300 0.102 0.000 1.317 444 I CB -0.019 37.974 38.000 -0.011 0.000 1.431 444 I HN 0.505 nan 8.210 nan 0.000 0.521 445 D N 5.200 125.761 120.400 0.267 0.000 2.342 445 D HA 0.194 4.947 4.640 0.190 0.000 0.243 445 D C -0.648 175.840 176.300 0.314 0.000 1.019 445 D CA -0.449 53.724 54.000 0.289 0.000 0.864 445 D CB 1.735 42.639 40.800 0.172 0.000 1.315 445 D HN 0.330 nan 8.370 nan 0.000 0.468 446 Y N 1.079 121.397 120.300 0.031 0.000 2.377 446 Y HA 0.140 4.804 4.550 0.190 0.000 0.330 446 Y C -0.100 175.738 175.900 -0.103 0.000 1.108 446 Y CA -0.238 57.666 58.100 -0.327 0.000 1.308 446 Y CB 0.750 38.928 38.460 -0.471 0.000 1.216 446 Y HN 0.194 nan 8.280 nan 0.000 0.518 447 D N 4.361 124.375 120.400 -0.644 0.000 2.349 447 D HA 0.090 4.844 4.640 0.190 0.000 0.232 447 D C 0.193 175.946 176.300 -0.911 0.000 1.071 447 D CA -0.690 53.014 54.000 -0.492 0.000 0.832 447 D CB 1.095 41.858 40.800 -0.063 0.000 1.086 447 D HN 0.693 nan 8.370 nan 0.000 0.504 448 D N 1.984 121.984 120.400 -0.666 0.000 2.219 448 D HA -0.204 4.550 4.640 0.190 0.000 0.205 448 D C 1.471 177.684 176.300 -0.144 0.000 0.970 448 D CA 1.111 54.852 54.000 -0.432 0.000 0.851 448 D CB -0.294 40.454 40.800 -0.087 0.000 0.943 448 D HN 0.536 nan 8.370 nan 0.000 0.488 449 H N 0.511 119.471 119.070 -0.182 0.000 2.363 449 H HA -0.005 4.665 4.556 0.190 0.000 0.301 449 H C 1.613 176.908 175.328 -0.056 0.000 1.074 449 H CA 2.508 58.503 56.048 -0.088 0.000 1.354 449 H CB -0.253 29.460 29.762 -0.081 0.000 1.397 449 H HN 0.259 nan 8.280 nan 0.000 0.516 450 T N -1.753 112.676 114.554 -0.208 0.000 3.069 450 T HA 0.178 4.642 4.350 0.190 0.000 0.252 450 T C 0.778 175.440 174.700 -0.063 0.000 1.053 450 T CA 0.252 62.256 62.100 -0.160 0.000 0.964 450 T CB -0.416 68.440 68.868 -0.019 0.000 1.005 450 T HN 0.372 nan 8.240 nan 0.000 0.532 451 L N -0.225 120.931 121.223 -0.113 0.000 3.678 451 L HA -0.189 4.265 4.340 0.190 0.000 0.425 451 L C -0.101 176.826 176.870 0.095 0.000 1.240 451 L CA 0.535 55.401 54.840 0.043 0.000 0.876 451 L CB -1.916 40.267 42.059 0.207 0.000 1.766 451 L HN 0.370 nan 8.230 nan 0.000 0.917 452 K N -0.947 119.398 120.400 -0.092 0.000 2.508 452 K HA 0.588 5.021 4.320 0.190 0.000 0.260 452 K C -0.823 175.560 176.600 -0.362 0.000 0.949 452 K CA -0.880 55.283 56.287 -0.207 0.000 0.834 452 K CB 1.971 34.221 32.500 -0.417 0.000 1.365 452 K HN -0.115 nan 8.250 nan 0.000 0.437 453 Y N 1.279 121.448 120.300 -0.218 0.000 2.346 453 Y HA 0.223 4.887 4.550 0.190 0.000 0.330 453 Y C -0.435 175.160 175.900 -0.507 0.000 1.178 453 Y CA 0.696 58.693 58.100 -0.171 0.000 1.331 453 Y CB 0.501 38.921 38.460 -0.067 0.000 1.253 453 Y HN 0.360 nan 8.280 nan 0.000 0.529 454 Y N 0.097 120.500 120.300 0.172 0.000 2.562 454 Y HA 0.295 4.959 4.550 0.190 0.000 0.345 454 Y C -0.523 175.425 175.900 0.080 0.000 1.045 454 Y CA -1.587 56.565 58.100 0.086 0.000 1.028 454 Y CB 1.318 39.798 38.460 0.033 0.000 1.297 454 Y HN 0.477 nan 8.280 nan 0.000 0.463 455 N N 2.189 121.013 118.700 0.207 0.000 2.452 455 N HA 0.181 5.035 4.740 0.190 0.000 0.266 455 N C 0.385 175.966 175.510 0.120 0.000 1.175 455 N CA 0.145 53.268 53.050 0.123 0.000 0.945 455 N CB 0.470 38.999 38.487 0.069 0.000 1.063 455 N HN 0.862 nan 8.380 nan 0.000 0.472 456 E N 0.481 120.742 120.200 0.101 0.000 2.330 456 E HA 0.027 4.490 4.350 0.190 0.000 0.204 456 E C 0.558 177.196 176.600 0.064 0.000 1.024 456 E CA -0.427 56.016 56.400 0.071 0.000 1.545 456 E CB -0.406 29.327 29.700 0.055 0.000 3.224 456 E HN 0.423 nan 8.360 nan 0.000 1.075 457 G N 1.496 110.342 108.800 0.076 0.000 2.594 457 G HA2 0.382 4.455 3.960 0.190 0.000 0.243 457 G HA3 0.382 4.455 3.960 0.190 0.000 0.243 457 G C -0.644 174.298 174.900 0.070 0.000 1.229 457 G CA -0.100 45.042 45.100 0.070 0.000 0.843 457 G HN 0.031 nan 8.290 nan 0.000 0.578 458 K N -0.250 120.189 120.400 0.065 0.000 2.426 458 K HA 0.663 5.097 4.320 0.190 0.000 0.251 458 K C -0.712 175.932 176.600 0.073 0.000 0.941 458 K CA -0.674 55.656 56.287 0.072 0.000 0.808 458 K CB 2.636 35.175 32.500 0.065 0.000 1.265 458 K HN 0.650 nan 8.250 nan 0.000 0.432 459 A N 1.983 124.855 122.820 0.088 0.000 2.435 459 A HA 0.667 5.101 4.320 0.190 0.000 0.304 459 A C -1.294 176.350 177.584 0.099 0.000 1.064 459 A CA -0.730 51.359 52.037 0.087 0.000 0.727 459 A CB 1.595 20.655 19.000 0.099 0.000 1.284 459 A HN 0.731 nan 8.150 nan 0.000 0.415 460 R N 1.950 122.503 120.500 0.088 0.000 2.439 460 R HA 0.661 5.114 4.340 0.190 0.000 0.310 460 R C -1.704 174.655 176.300 0.098 0.000 0.955 460 R CA -0.414 55.747 56.100 0.102 0.000 0.853 460 R CB 0.842 31.190 30.300 0.081 0.000 1.171 460 R HN 0.699 nan 8.270 nan 0.000 0.449 461 I N 4.271 124.922 120.570 0.134 0.000 2.378 461 I HA 0.370 4.654 4.170 0.190 0.000 0.291 461 I C -0.399 175.795 176.117 0.129 0.000 0.992 461 I CA -0.780 60.603 61.300 0.137 0.000 1.154 461 I CB 1.960 40.083 38.000 0.206 0.000 1.315 461 I HN 0.379 nan 8.210 nan 0.000 0.448 462 K N 4.606 125.039 120.400 0.054 0.000 2.376 462 K HA 0.762 5.196 4.320 0.190 0.000 0.257 462 K C -0.320 176.198 176.600 -0.136 0.000 0.939 462 K CA -0.591 55.684 56.287 -0.020 0.000 0.809 462 K CB 2.532 35.065 32.500 0.055 0.000 1.121 462 K HN 0.826 nan 8.250 nan 0.000 0.425 463 G N 0.754 109.209 108.800 -0.575 0.000 2.672 463 G HA2 0.636 4.709 3.960 0.190 0.000 0.292 463 G HA3 0.636 4.709 3.960 0.190 0.000 0.292 463 G C -1.504 173.099 174.900 -0.495 0.000 1.375 463 G CA -0.545 44.175 45.100 -0.635 0.000 0.890 463 G HN 0.301 nan 8.290 nan 0.000 0.476 464 V N 0.262 120.156 119.914 -0.033 0.000 2.638 464 V HA 0.537 4.771 4.120 0.190 0.000 0.306 464 V C -0.588 175.635 176.094 0.215 0.000 1.052 464 V CA -0.749 61.620 62.300 0.115 0.000 0.885 464 V CB 1.798 33.728 31.823 0.178 0.000 0.999 464 V HN 0.854 nan 8.190 nan 0.000 0.424 465 E N 3.151 123.514 120.200 0.271 0.000 2.176 465 E HA 0.767 5.231 4.350 0.190 0.000 0.267 465 E C -0.835 175.929 176.600 0.274 0.000 0.893 465 E CA -0.586 55.967 56.400 0.255 0.000 0.761 465 E CB 1.814 31.663 29.700 0.249 0.000 1.133 465 E HN 0.879 nan 8.360 nan 0.000 0.409 466 A N 3.315 126.319 122.820 0.308 0.000 2.356 466 A HA 0.672 5.105 4.320 0.190 0.000 0.310 466 A C -0.486 177.267 177.584 0.282 0.000 1.075 466 A CA -0.547 51.676 52.037 0.310 0.000 0.746 466 A CB 1.575 20.768 19.000 0.323 0.000 1.221 466 A HN 0.641 nan 8.150 nan 0.000 0.443 467 T N -1.289 113.428 114.554 0.271 0.000 2.901 467 T HA 0.929 5.393 4.350 0.190 0.000 0.293 467 T C -0.494 174.382 174.700 0.292 0.000 1.084 467 T CA -0.232 62.019 62.100 0.251 0.000 1.008 467 T CB 1.853 70.839 68.868 0.196 0.000 1.170 467 T HN 2.264 nan 8.240 nan 0.000 0.509 468 A N 1.775 124.770 122.820 0.291 0.000 2.594 468 A HA 0.798 5.232 4.320 0.190 0.000 0.296 468 A C -1.375 176.418 177.584 0.348 0.000 1.061 468 A CA -1.095 51.157 52.037 0.359 0.000 0.689 468 A CB 1.285 20.523 19.000 0.396 0.000 1.280 468 A HN 1.376 nan 8.150 nan 0.000 0.406 469 N N -0.527 118.389 118.700 0.362 0.000 2.284 469 N HA 0.892 5.746 4.740 0.190 0.000 0.289 469 N C -0.814 174.938 175.510 0.402 0.000 1.179 469 N CA -0.583 52.627 53.050 0.268 0.000 0.774 469 N CB 1.732 40.296 38.487 0.128 0.000 1.548 469 N HN 1.360 nan 8.380 nan 0.000 0.473 470 F N -2.672 117.371 119.950 0.155 0.000 2.799 470 F HA 0.565 5.206 4.527 0.191 0.000 0.316 470 F C -2.066 173.865 175.800 0.219 0.000 1.155 470 F CA -1.110 56.978 58.000 0.147 0.000 0.916 470 F CB 1.074 40.138 39.000 0.107 0.000 1.294 470 F HN 0.244 nan 8.300 nan 0.000 0.447 471 D N 0.494 121.077 120.400 0.306 0.000 2.350 471 D HA 0.599 5.353 4.640 0.190 0.000 0.238 471 D C -0.943 175.560 176.300 0.339 0.000 0.989 471 D CA -0.298 53.846 54.000 0.240 0.000 0.921 471 D CB 2.240 43.128 40.800 0.147 0.000 1.297 471 D HN 0.799 nan 8.370 nan 0.000 0.490 472 T N -1.663 113.075 114.554 0.306 0.000 3.008 472 T HA 0.567 5.031 4.350 0.190 0.000 0.328 472 T C 0.764 175.557 174.700 0.154 0.000 1.020 472 T CA -0.122 62.131 62.100 0.255 0.000 1.043 472 T CB 1.083 70.150 68.868 0.330 0.000 1.010 472 T HN 0.597 nan 8.240 nan 0.000 0.466 473 G N 5.299 114.164 108.800 0.109 0.000 2.651 473 G HA2 -0.262 3.811 3.960 0.190 0.000 0.315 473 G HA3 -0.262 3.811 3.960 0.190 0.000 0.315 473 G C -1.179 173.766 174.900 0.075 0.000 1.258 473 G CA 0.250 45.395 45.100 0.074 0.000 1.002 473 G HN 0.740 nan 8.290 nan 0.000 0.551 474 P HA 0.231 nan 4.420 nan 0.000 0.245 474 P C 0.570 177.932 177.300 0.102 0.000 1.212 474 P CA 0.497 63.649 63.100 0.086 0.000 0.774 474 P CB -0.033 31.725 31.700 0.096 0.000 0.999 475 L N -0.145 121.104 121.223 0.044 0.000 2.289 475 L HA 0.359 4.813 4.340 0.190 0.000 0.285 475 L C 0.251 177.053 176.870 -0.112 0.000 1.049 475 L CA -0.252 54.561 54.840 -0.046 0.000 0.804 475 L CB 1.155 43.113 42.059 -0.169 0.000 1.195 475 L HN -0.281 nan 8.230 nan 0.000 0.428 476 T N 1.791 116.243 114.554 -0.169 0.000 2.770 476 T HA 0.394 4.857 4.350 0.190 0.000 0.283 476 T C -0.447 173.996 174.700 -0.428 0.000 0.988 476 T CA -0.507 61.478 62.100 -0.190 0.000 0.957 476 T CB 0.407 69.241 68.868 -0.056 0.000 0.930 476 T HN 0.381 nan 8.240 nan 0.000 0.443 477 H N 1.945 120.755 119.070 -0.433 0.000 2.457 477 H HA 0.492 5.163 4.556 0.191 0.000 0.335 477 H C -0.405 174.647 175.328 -0.461 0.000 1.115 477 H CA -0.651 55.038 56.048 -0.597 0.000 1.219 477 H CB 1.601 30.786 29.762 -0.962 0.000 1.471 477 H HN 0.455 nan 8.280 nan 0.000 0.491 478 T N 2.875 117.279 114.554 -0.250 0.000 2.890 478 T HA 0.301 4.765 4.350 0.190 0.000 0.295 478 T C -0.612 174.075 174.700 -0.022 0.000 0.993 478 T CA -0.590 61.470 62.100 -0.066 0.000 0.979 478 T CB 1.591 70.446 68.868 -0.023 0.000 0.967 478 T HN 0.313 nan 8.240 nan 0.000 0.441 479 V N 3.417 123.417 119.914 0.143 0.000 2.760 479 V HA 0.905 5.138 4.120 0.190 0.000 0.309 479 V C -1.045 175.194 176.094 0.241 0.000 1.077 479 V CA -0.414 62.040 62.300 0.256 0.000 0.910 479 V CB 2.193 34.268 31.823 0.420 0.000 1.008 479 V HN 1.087 nan 8.190 nan 0.000 0.424 480 S N 5.405 121.246 115.700 0.235 0.000 2.564 480 S HA 0.757 5.341 4.470 0.190 0.000 0.274 480 S C -1.430 173.339 174.600 0.282 0.000 1.124 480 S CA -0.658 57.681 58.200 0.233 0.000 0.869 480 S CB 1.881 65.180 63.200 0.166 0.000 1.105 480 S HN 1.198 nan 8.310 nan 0.000 0.472 481 Y N 0.867 121.261 120.300 0.156 0.000 2.425 481 Y HA 0.640 5.304 4.550 0.189 0.000 0.344 481 Y C -1.635 174.364 175.900 0.165 0.000 0.969 481 Y CA -0.693 57.498 58.100 0.152 0.000 1.052 481 Y CB 1.879 40.421 38.460 0.137 0.000 1.215 481 Y HN 0.795 nan 8.280 nan 0.000 0.451 482 D N 5.114 125.074 120.400 -0.734 0.000 2.629 482 D HA 0.124 4.878 4.640 0.190 0.000 0.250 482 D C -1.858 174.028 176.300 -0.689 0.000 1.126 482 D CA -0.271 53.434 54.000 -0.492 0.000 0.852 482 D CB 2.117 42.831 40.800 -0.144 0.000 1.335 482 D HN 0.620 nan 8.370 nan 0.000 0.518 483 Y N 1.825 121.844 120.300 -0.467 0.000 2.341 483 Y HA 0.456 5.120 4.550 0.189 0.000 0.337 483 Y C -1.205 174.652 175.900 -0.072 0.000 1.014 483 Y CA -0.453 57.543 58.100 -0.174 0.000 1.111 483 Y CB 1.203 39.693 38.460 0.051 0.000 1.194 483 Y HN 0.090 nan 8.280 nan 0.000 0.462 484 V N 6.009 125.616 119.914 -0.512 0.000 2.462 484 V HA 0.165 4.399 4.120 0.190 0.000 0.288 484 V C -1.273 174.552 176.094 -0.450 0.000 1.020 484 V CA -0.826 61.285 62.300 -0.315 0.000 0.857 484 V CB 1.413 33.177 31.823 -0.099 0.000 1.013 484 V HN 0.766 nan 8.190 nan 0.000 0.431 485 D N 4.368 124.537 120.400 -0.386 0.000 2.499 485 D HA 0.556 5.310 4.640 0.190 0.000 0.225 485 D C 0.183 176.442 176.300 -0.069 0.000 1.124 485 D CA 0.026 53.890 54.000 -0.225 0.000 0.938 485 D CB 1.178 41.928 40.800 -0.084 0.000 1.014 485 D HN 0.713 nan 8.370 nan 0.000 0.517 486 A N 4.556 127.340 122.820 -0.060 0.000 2.260 486 A HA 0.730 5.164 4.320 0.190 0.000 0.314 486 A C 0.077 177.651 177.584 -0.016 0.000 1.257 486 A CA -0.655 51.377 52.037 -0.008 0.000 0.871 486 A CB 0.602 19.598 19.000 -0.008 0.000 1.166 486 A HN 0.550 nan 8.150 nan 0.000 0.522 487 R N 1.615 122.120 120.500 0.007 0.000 2.867 487 R HA 0.374 4.828 4.340 0.190 0.000 0.268 487 R C -0.831 175.478 176.300 0.015 0.000 1.014 487 R CA -1.148 54.949 56.100 -0.004 0.000 0.946 487 R CB 1.184 31.481 30.300 -0.005 0.000 1.208 487 R HN 0.719 nan 8.270 nan 0.000 0.477 488 N N 0.882 119.584 118.700 0.002 0.000 2.411 488 N HA 0.072 4.926 4.740 0.190 0.000 0.259 488 N C 0.129 175.649 175.510 0.017 0.000 1.103 488 N CA 0.106 53.165 53.050 0.015 0.000 0.954 488 N CB 1.675 40.163 38.487 0.003 0.000 1.085 488 N HN 0.725 nan 8.380 nan 0.000 0.485 489 A N 4.957 127.797 122.820 0.033 0.000 2.119 489 A HA 0.004 4.438 4.320 0.190 0.000 0.216 489 A C 1.887 179.486 177.584 0.024 0.000 1.152 489 A CA 0.447 52.503 52.037 0.033 0.000 0.708 489 A CB -0.124 18.906 19.000 0.050 0.000 0.805 489 A HN 0.695 nan 8.150 nan 0.000 0.460 490 I N 0.268 120.851 120.570 0.022 0.000 2.339 490 I HA -0.108 4.176 4.170 0.190 0.000 0.245 490 I C 2.589 178.709 176.117 0.004 0.000 1.096 490 I CA 2.245 63.554 61.300 0.015 0.000 1.408 490 I CB -1.522 36.487 38.000 0.015 0.000 1.092 490 I HN 0.495 nan 8.210 nan 0.000 0.423 491 T N -3.098 111.455 114.554 -0.001 0.000 3.057 491 T HA 0.034 4.498 4.350 0.190 0.000 0.254 491 T C 0.910 175.598 174.700 -0.020 0.000 1.094 491 T CA 0.546 62.638 62.100 -0.013 0.000 1.088 491 T CB 0.131 68.988 68.868 -0.020 0.000 0.934 491 T HN 0.179 nan 8.240 nan 0.000 0.497 492 D N 1.613 122.004 120.400 -0.015 0.000 3.017 492 D HA -0.143 4.611 4.640 0.190 0.000 0.220 492 D C -0.040 176.235 176.300 -0.041 0.000 1.141 492 D CA 1.226 55.214 54.000 -0.019 0.000 0.848 492 D CB -1.649 39.142 40.800 -0.015 0.000 1.102 492 D HN 0.800 nan 8.370 nan 0.000 0.427 493 T N -2.747 111.774 114.554 -0.055 0.000 2.929 493 T HA 0.747 5.210 4.350 0.190 0.000 0.284 493 T C -2.635 171.999 174.700 -0.111 0.000 1.014 493 T CA -1.818 60.223 62.100 -0.098 0.000 1.051 493 T CB 2.224 71.026 68.868 -0.110 0.000 1.028 493 T HN -0.174 nan 8.240 nan 0.000 0.485 494 P HA 0.213 nan 4.420 nan 0.000 0.268 494 P C 0.070 177.294 177.300 -0.128 0.000 1.204 494 P CA -0.431 62.577 63.100 -0.154 0.000 0.768 494 P CB 0.368 31.927 31.700 -0.234 0.000 0.842 495 L N 2.232 123.409 121.223 -0.077 0.000 2.474 495 L HA 0.125 4.579 4.340 0.190 0.000 0.259 495 L C 0.597 177.422 176.870 -0.075 0.000 1.232 495 L CA -0.162 54.640 54.840 -0.063 0.000 0.821 495 L CB -0.107 41.924 42.059 -0.046 0.000 1.108 495 L HN 0.227 nan 8.230 nan 0.000 0.495 496 L N 0.334 121.512 121.223 -0.075 0.000 2.322 496 L HA 0.453 4.907 4.340 0.190 0.000 0.269 496 L C 0.715 177.491 176.870 -0.158 0.000 1.012 496 L CA 0.042 54.850 54.840 -0.054 0.000 0.815 496 L CB 1.323 43.372 42.059 -0.017 0.000 1.295 496 L HN 0.480 nan 8.230 nan 0.000 0.438 497 R N -0.600 119.819 120.500 -0.135 0.000 3.840 497 R HA -0.182 4.272 4.340 0.190 0.000 0.464 497 R C -0.268 175.770 176.300 -0.437 0.000 0.986 497 R CA 1.020 56.971 56.100 -0.249 0.000 1.305 497 R CB -0.957 29.181 30.300 -0.270 0.000 1.950 497 R HN 0.534 nan 8.270 nan 0.000 0.526 498 R N 0.694 120.970 120.500 -0.373 0.000 2.338 498 R HA 0.578 5.032 4.340 0.190 0.000 0.317 498 R C -0.242 175.951 176.300 -0.179 0.000 0.968 498 R CA 0.117 56.008 56.100 -0.348 0.000 0.849 498 R CB 1.621 31.721 30.300 -0.333 0.000 1.128 498 R HN 0.203 nan 8.270 nan 0.000 0.448 499 A N 2.807 125.535 122.820 -0.154 0.000 2.522 499 A HA -0.008 4.426 4.320 0.190 0.000 0.256 499 A C 1.130 178.641 177.584 -0.120 0.000 1.086 499 A CA 0.067 52.026 52.037 -0.131 0.000 0.763 499 A CB 0.187 19.104 19.000 -0.138 0.000 1.024 499 A HN 0.942 nan 8.150 nan 0.000 0.502 500 K N 1.358 121.694 120.400 -0.106 0.000 2.147 500 K HA -0.105 4.329 4.320 0.190 0.000 0.205 500 K C 0.377 176.892 176.600 -0.142 0.000 1.049 500 K CA 1.398 57.596 56.287 -0.150 0.000 0.936 500 K CB -0.025 32.415 32.500 -0.099 0.000 0.722 500 K HN 0.865 nan 8.250 nan 0.000 0.446 501 Q N -0.091 119.686 119.800 -0.039 0.000 2.359 501 Q HA 0.317 4.771 4.340 0.190 0.000 0.274 501 Q C -1.487 174.529 176.000 0.026 0.000 1.074 501 Q CA -0.699 55.121 55.803 0.029 0.000 0.810 501 Q CB 2.562 31.450 28.738 0.250 0.000 1.342 501 Q HN 0.043 nan 8.270 nan 0.000 0.427 502 Q N 1.018 120.802 119.800 -0.025 0.000 2.315 502 Q HA 0.603 5.057 4.340 0.190 0.000 0.273 502 Q C -1.480 174.583 176.000 0.106 0.000 1.053 502 Q CA -0.639 55.178 55.803 0.023 0.000 0.817 502 Q CB 3.075 31.779 28.738 -0.057 0.000 1.326 502 Q HN 0.346 nan 8.270 nan 0.000 0.423 503 V N 2.245 122.286 119.914 0.212 0.000 2.540 503 V HA 0.543 4.777 4.120 0.190 0.000 0.302 503 V C -0.767 175.429 176.094 0.171 0.000 1.035 503 V CA -0.726 61.741 62.300 0.277 0.000 0.873 503 V CB 1.935 33.980 31.823 0.370 0.000 0.992 503 V HN 0.623 nan 8.190 nan 0.000 0.428 504 K N 4.004 124.519 120.400 0.192 0.000 2.507 504 K HA 0.582 5.016 4.320 0.190 0.000 0.251 504 K C -1.891 174.855 176.600 0.242 0.000 0.943 504 K CA -0.786 55.574 56.287 0.123 0.000 0.794 504 K CB 2.780 35.301 32.500 0.035 0.000 1.188 504 K HN 0.698 nan 8.250 nan 0.000 0.428 505 Y N 1.876 122.234 120.300 0.096 0.000 2.386 505 Y HA 0.280 4.943 4.550 0.189 0.000 0.334 505 Y C -1.364 174.577 175.900 0.067 0.000 1.002 505 Y CA -0.698 57.469 58.100 0.111 0.000 1.068 505 Y CB 2.127 40.672 38.460 0.141 0.000 1.203 505 Y HN 0.522 nan 8.280 nan 0.000 0.443 506 Q N 4.931 124.487 119.800 -0.407 0.000 2.316 506 Q HA 0.583 5.037 4.340 0.190 0.000 0.264 506 Q C -2.334 173.340 176.000 -0.542 0.000 0.987 506 Q CA -0.720 54.882 55.803 -0.336 0.000 0.852 506 Q CB 1.754 30.400 28.738 -0.152 0.000 1.287 506 Q HN 0.755 nan 8.270 nan 0.000 0.448 507 L N 4.168 125.248 121.223 -0.238 0.000 2.372 507 L HA 0.592 5.046 4.340 0.190 0.000 0.273 507 L C -1.728 175.254 176.870 0.186 0.000 0.989 507 L CA -0.100 54.670 54.840 -0.117 0.000 0.841 507 L CB 1.613 43.747 42.059 0.125 0.000 1.225 507 L HN 0.623 nan 8.230 nan 0.000 0.414 508 D N 4.743 125.230 120.400 0.145 0.000 2.362 508 D HA 0.649 5.402 4.640 0.190 0.000 0.247 508 D C -1.225 175.308 176.300 0.389 0.000 1.050 508 D CA 0.285 54.421 54.000 0.226 0.000 0.839 508 D CB 1.787 42.648 40.800 0.102 0.000 1.283 508 D HN 0.569 nan 8.370 nan 0.000 0.477 509 W N 0.219 121.571 121.300 0.086 0.000 3.005 509 W HA 0.523 5.290 4.660 0.178 0.000 0.343 509 W C -1.928 174.693 176.519 0.170 0.000 1.243 509 W CA -0.890 56.504 57.345 0.081 0.000 1.186 509 W CB 0.795 30.279 29.460 0.039 0.000 1.453 509 W HN -0.014 nan 8.180 nan 0.000 0.575 510 Q N 1.709 121.637 119.800 0.212 0.000 2.337 510 Q HA 0.511 4.965 4.340 0.190 0.000 0.270 510 Q C -0.304 175.836 176.000 0.232 0.000 1.043 510 Q CA -0.697 55.184 55.803 0.131 0.000 0.794 510 Q CB 2.617 31.401 28.738 0.076 0.000 1.281 510 Q HN 0.573 nan 8.270 nan 0.000 0.446 511 L N 1.111 122.466 121.223 0.220 0.000 2.588 511 L HA 0.347 4.800 4.340 0.190 0.000 0.194 511 L C -0.597 176.204 176.870 -0.116 0.000 1.070 511 L CA 1.144 55.981 54.840 -0.003 0.000 0.852 511 L CB 0.575 42.572 42.059 -0.104 0.000 1.199 511 L HN 0.738 nan 8.230 nan 0.000 0.486 512 Y N 1.082 121.637 120.300 0.425 0.000 2.473 512 Y HA 0.359 4.967 4.550 0.097 0.000 0.345 512 Y C 0.166 176.246 175.900 0.300 0.000 0.932 512 Y CA -1.401 56.922 58.100 0.373 0.000 1.124 512 Y CB -0.200 38.542 38.460 0.469 0.000 1.162 512 Y HN 0.185 nan 8.280 nan 0.000 0.629 513 D N -1.045 119.502 120.400 0.245 0.000 3.006 513 D HA -0.263 4.491 4.640 0.190 0.000 0.208 513 D C -0.324 175.927 176.300 -0.081 0.000 1.116 513 D CA 1.166 55.155 54.000 -0.019 0.000 0.998 513 D CB -1.133 39.528 40.800 -0.232 0.000 1.124 513 D HN 0.284 nan 8.370 nan 0.000 0.413 514 F N 1.193 121.274 119.950 0.218 0.000 2.467 514 F HA 0.276 4.902 4.527 0.165 0.000 0.362 514 F C 1.073 176.762 175.800 -0.186 0.000 1.090 514 F CA -0.298 57.726 58.000 0.040 0.000 1.202 514 F CB 0.738 39.801 39.000 0.105 0.000 1.113 514 F HN -0.300 nan 8.300 nan 0.000 0.541 515 D N 4.030 124.310 120.400 -0.201 0.000 2.381 515 D HA 0.278 5.032 4.640 0.190 0.000 0.235 515 D C -1.533 174.501 176.300 -0.443 0.000 1.068 515 D CA -0.352 53.502 54.000 -0.244 0.000 0.832 515 D CB 0.493 41.196 40.800 -0.163 0.000 1.101 515 D HN 0.291 nan 8.370 nan 0.000 0.515 516 W N 2.314 123.314 121.300 -0.500 0.000 2.666 516 W HA 0.683 5.445 4.660 0.169 0.000 0.334 516 W C 0.408 176.622 176.519 -0.508 0.000 1.051 516 W CA -0.884 56.059 57.345 -0.671 0.000 1.224 516 W CB 2.511 31.040 29.460 -1.552 0.000 1.405 516 W HN 0.484 nan 8.180 nan 0.000 0.513 517 G N 2.883 111.694 108.800 0.017 0.000 2.707 517 G HA2 0.714 4.788 3.960 0.190 0.000 0.299 517 G HA3 0.714 4.788 3.960 0.190 0.000 0.299 517 G C -1.708 173.331 174.900 0.230 0.000 1.442 517 G CA -0.743 44.439 45.100 0.136 0.000 1.009 517 G HN 0.429 nan 8.290 nan 0.000 0.515 518 I N 1.509 122.267 120.570 0.312 0.000 2.377 518 I HA 0.534 4.818 4.170 0.190 0.000 0.293 518 I C 0.149 176.416 176.117 0.249 0.000 0.987 518 I CA -0.653 60.860 61.300 0.355 0.000 1.185 518 I CB 2.509 40.814 38.000 0.508 0.000 1.341 518 I HN 0.443 nan 8.210 nan 0.000 0.455 519 T N 5.399 120.081 114.554 0.213 0.000 2.841 519 T HA 0.481 4.945 4.350 0.190 0.000 0.285 519 T C -1.400 173.352 174.700 0.086 0.000 0.991 519 T CA -0.420 61.728 62.100 0.079 0.000 0.966 519 T CB 0.892 69.695 68.868 -0.108 0.000 0.962 519 T HN 0.430 nan 8.240 nan 0.000 0.438 520 Y N 3.417 123.640 120.300 -0.128 0.000 2.485 520 Y HA 0.707 5.370 4.550 0.189 0.000 0.345 520 Y C -0.671 175.074 175.900 -0.259 0.000 0.998 520 Y CA -0.771 57.084 58.100 -0.408 0.000 1.059 520 Y CB 2.130 40.189 38.460 -0.668 0.000 1.234 520 Y HN 0.838 nan 8.280 nan 0.000 0.461 521 Q N 4.342 123.419 119.800 -1.203 0.000 2.295 521 Q HA 0.285 4.738 4.340 0.190 0.000 0.268 521 Q C -2.433 172.964 176.000 -1.004 0.000 1.010 521 Q CA -0.815 54.500 55.803 -0.814 0.000 0.856 521 Q CB 1.675 30.141 28.738 -0.452 0.000 1.349 521 Q HN 0.756 nan 8.270 nan 0.000 0.412 522 Y N 4.330 124.227 120.300 -0.671 0.000 2.328 522 Y HA 0.535 5.198 4.550 0.189 0.000 0.337 522 Y C -1.593 174.166 175.900 -0.235 0.000 1.008 522 Y CA -0.695 57.178 58.100 -0.378 0.000 1.129 522 Y CB 0.888 39.291 38.460 -0.095 0.000 1.185 522 Y HN 0.633 nan 8.280 nan 0.000 0.476 523 L N 7.416 128.184 121.223 -0.758 0.000 2.277 523 L HA 0.471 4.925 4.340 0.190 0.000 0.284 523 L C 0.897 177.237 176.870 -0.884 0.000 1.028 523 L CA -0.669 53.801 54.840 -0.616 0.000 0.835 523 L CB 0.748 42.548 42.059 -0.431 0.000 1.215 523 L HN 0.915 nan 8.230 nan 0.000 0.425 524 G N 1.399 109.804 108.800 -0.659 0.000 2.683 524 G HA2 0.088 4.162 3.960 0.190 0.000 0.260 524 G HA3 0.088 4.162 3.960 0.190 0.000 0.260 524 G C 0.177 174.926 174.900 -0.251 0.000 1.238 524 G CA -0.290 44.559 45.100 -0.418 0.000 0.934 524 G HN 0.444 nan 8.290 nan 0.000 0.534 525 T N -0.988 113.486 114.554 -0.133 0.000 2.937 525 T HA 0.308 4.772 4.350 0.190 0.000 0.316 525 T C 0.255 174.836 174.700 -0.199 0.000 1.079 525 T CA 0.231 62.233 62.100 -0.163 0.000 1.131 525 T CB 0.093 68.876 68.868 -0.141 0.000 1.000 525 T HN 0.612 nan 8.240 nan 0.000 0.549 526 R N 2.945 123.281 120.500 -0.273 0.000 2.626 526 R HA 0.363 4.817 4.340 0.190 0.000 0.274 526 R C -1.818 174.282 176.300 -0.333 0.000 1.031 526 R CA -0.722 55.250 56.100 -0.214 0.000 0.898 526 R CB 1.275 31.493 30.300 -0.136 0.000 1.222 526 R HN 0.692 nan 8.270 nan 0.000 0.455 527 Y N 1.391 121.633 120.300 -0.097 0.000 2.361 527 Y HA 0.430 5.094 4.550 0.190 0.000 0.332 527 Y C 0.309 176.144 175.900 -0.108 0.000 1.101 527 Y CA 0.041 58.079 58.100 -0.103 0.000 1.137 527 Y CB 1.622 40.024 38.460 -0.098 0.000 1.207 527 Y HN 0.577 nan 8.280 nan 0.000 0.463 528 D N 0.499 120.912 120.400 0.021 0.000 2.643 528 D HA 0.308 5.062 4.640 0.190 0.000 0.283 528 D C -1.466 174.754 176.300 -0.133 0.000 1.242 528 D CA -0.748 53.232 54.000 -0.033 0.000 0.863 528 D CB 1.706 42.508 40.800 0.004 0.000 1.382 528 D HN 0.177 nan 8.370 nan 0.000 0.444 529 K N 0.888 121.156 120.400 -0.220 0.000 2.143 529 K HA 0.298 4.731 4.320 0.190 0.000 0.272 529 K C -0.762 175.544 176.600 -0.491 0.000 1.001 529 K CA -0.539 55.486 56.287 -0.436 0.000 0.915 529 K CB 1.119 33.179 32.500 -0.733 0.000 1.047 529 K HN 0.356 nan 8.250 nan 0.000 0.458 530 D N 1.858 122.040 120.400 -0.363 0.000 2.347 530 D HA 0.071 4.825 4.640 0.190 0.000 0.235 530 D C -0.042 176.203 176.300 -0.092 0.000 1.149 530 D CA -0.203 53.730 54.000 -0.111 0.000 0.850 530 D CB 0.349 41.124 40.800 -0.041 0.000 1.061 530 D HN 0.302 nan 8.370 nan 0.000 0.487 531 Y N 1.324 121.699 120.300 0.125 0.000 2.511 531 Y HA -0.014 4.649 4.550 0.189 0.000 0.279 531 Y C 2.456 178.469 175.900 0.189 0.000 1.157 531 Y CA 0.392 58.502 58.100 0.016 0.000 1.300 531 Y CB -0.051 38.328 38.460 -0.135 0.000 1.052 531 Y HN 0.437 nan 8.280 nan 0.000 0.529 532 S N -1.546 114.323 115.700 0.281 0.000 2.547 532 S HA 0.002 4.586 4.470 0.190 0.000 0.235 532 S C 0.829 175.569 174.600 0.233 0.000 0.980 532 S CA 0.455 58.784 58.200 0.215 0.000 0.941 532 S CB -0.145 63.137 63.200 0.137 0.000 0.763 532 S HN 0.170 nan 8.310 nan 0.000 0.532 533 S N -0.346 115.533 115.700 0.298 0.000 2.566 533 S HA 0.486 5.069 4.470 0.190 0.000 0.273 533 S C -1.670 173.068 174.600 0.230 0.000 1.157 533 S CA -0.829 57.508 58.200 0.228 0.000 0.938 533 S CB 1.176 64.453 63.200 0.128 0.000 1.087 533 S HN 0.391 nan 8.310 nan 0.000 0.474 534 Y N 5.871 126.167 120.300 -0.005 0.000 2.417 534 Y HA 0.676 5.339 4.550 0.189 0.000 0.336 534 Y C -2.488 173.305 175.900 -0.179 0.000 0.961 534 Y CA -1.342 56.606 58.100 -0.253 0.000 1.215 534 Y CB 0.977 39.251 38.460 -0.309 0.000 1.120 534 Y HN 0.608 nan 8.280 nan 0.000 0.499 535 P HA 0.359 nan 4.420 nan 0.000 0.298 535 P C -1.900 175.090 177.300 -0.518 0.000 1.341 535 P CA -0.732 61.643 63.100 -1.209 0.000 0.988 535 P CB 1.290 32.516 31.700 -0.790 0.000 1.265 536 Y N 0.461 120.625 120.300 -0.228 0.000 2.436 536 Y HA 0.205 4.869 4.550 0.190 0.000 0.343 536 Y C 1.172 176.980 175.900 -0.154 0.000 1.008 536 Y CA -0.414 57.617 58.100 -0.116 0.000 1.241 536 Y CB 0.583 39.010 38.460 -0.056 0.000 1.153 536 Y HN 0.164 nan 8.280 nan 0.000 0.521 537 Q N 1.643 121.437 119.800 -0.009 0.000 2.259 537 Q HA 0.259 4.713 4.340 0.190 0.000 0.246 537 Q C -0.299 175.644 176.000 -0.097 0.000 0.920 537 Q CA -0.667 55.099 55.803 -0.060 0.000 0.895 537 Q CB 1.243 29.943 28.738 -0.064 0.000 1.220 537 Q HN 0.576 nan 8.270 nan 0.000 0.439 538 T N 1.459 115.967 114.554 -0.078 0.000 2.814 538 T HA 0.238 4.702 4.350 0.190 0.000 0.297 538 T C -0.530 174.128 174.700 -0.070 0.000 0.956 538 T CA -0.301 61.758 62.100 -0.067 0.000 1.123 538 T CB 0.629 69.478 68.868 -0.032 0.000 0.902 538 T HN 0.319 nan 8.240 nan 0.000 0.528 539 V N 3.871 123.701 119.914 -0.139 0.000 2.715 539 V HA 0.554 4.788 4.120 0.190 0.000 0.310 539 V C -0.535 175.462 176.094 -0.162 0.000 1.054 539 V CA -1.012 61.157 62.300 -0.219 0.000 0.928 539 V CB 1.837 33.321 31.823 -0.566 0.000 1.007 539 V HN 0.766 nan 8.190 nan 0.000 0.437 540 K N 5.662 125.945 120.400 -0.195 0.000 2.234 540 K HA 0.554 4.987 4.320 0.190 0.000 0.277 540 K C -0.884 175.563 176.600 -0.255 0.000 1.038 540 K CA -0.295 55.775 56.287 -0.361 0.000 0.888 540 K CB 1.199 33.515 32.500 -0.307 0.000 1.091 540 K HN 0.686 nan 8.250 nan 0.000 0.467 541 M N 2.138 121.585 119.600 -0.255 0.000 2.180 541 M HA 0.256 4.850 4.480 0.190 0.000 0.350 541 M C 0.576 176.799 176.300 -0.128 0.000 1.125 541 M CA -0.629 54.603 55.300 -0.114 0.000 1.031 541 M CB 1.786 34.366 32.600 -0.033 0.000 1.623 541 M HN 0.590 nan 8.290 nan 0.000 0.451 542 G N 1.734 110.493 108.800 -0.069 0.000 2.539 542 G HA2 0.496 4.570 3.960 0.190 0.000 0.258 542 G HA3 0.496 4.570 3.960 0.190 0.000 0.258 542 G C 0.253 175.113 174.900 -0.067 0.000 1.202 542 G CA -0.679 44.387 45.100 -0.056 0.000 0.851 542 G HN 0.902 nan 8.290 nan 0.000 0.556 543 G N -1.306 107.460 108.800 -0.056 0.000 2.464 543 G HA2 0.488 4.561 3.960 0.190 0.000 0.231 543 G HA3 0.488 4.561 3.960 0.190 0.000 0.231 543 G C 0.040 174.872 174.900 -0.112 0.000 1.267 543 G CA 0.756 45.761 45.100 -0.157 0.000 0.863 543 G HN 1.643 nan 8.290 nan 0.000 0.559 544 V N -1.095 118.627 119.914 -0.321 0.000 2.808 544 V HA 0.779 5.013 4.120 0.190 0.000 0.308 544 V C -0.131 175.851 176.094 -0.187 0.000 1.099 544 V CA -1.043 61.148 62.300 -0.181 0.000 0.920 544 V CB 1.748 33.411 31.823 -0.266 0.000 1.014 544 V HN 0.708 nan 8.190 nan 0.000 0.425 545 S N 4.491 120.197 115.700 0.012 0.000 2.508 545 S HA 0.864 5.448 4.470 0.190 0.000 0.284 545 S C -0.498 174.044 174.600 -0.096 0.000 1.192 545 S CA -0.533 57.660 58.200 -0.013 0.000 1.070 545 S CB 0.832 64.217 63.200 0.309 0.000 1.004 545 S HN 0.699 nan 8.310 nan 0.000 0.493 546 L N 2.549 123.571 121.223 -0.335 0.000 2.431 546 L HA 0.610 5.063 4.340 0.190 0.000 0.266 546 L C -1.594 175.183 176.870 -0.154 0.000 0.978 546 L CA -0.649 54.107 54.840 -0.141 0.000 0.822 546 L CB 1.732 43.627 42.059 -0.272 0.000 1.310 546 L HN 0.645 nan 8.230 nan 0.000 0.409 547 W N 1.178 122.557 121.300 0.133 0.000 2.736 547 W HA 0.568 5.340 4.660 0.188 0.000 0.335 547 W C -0.730 175.826 176.519 0.063 0.000 1.059 547 W CA -0.348 57.105 57.345 0.180 0.000 1.226 547 W CB 1.818 31.476 29.460 0.330 0.000 1.416 547 W HN 0.245 nan 8.180 nan 0.000 0.505 548 D N 2.289 122.860 120.400 0.285 0.000 2.575 548 D HA 0.513 5.266 4.640 0.190 0.000 0.236 548 D C -1.590 174.828 176.300 0.195 0.000 1.075 548 D CA -0.699 53.392 54.000 0.152 0.000 0.860 548 D CB 2.805 43.641 40.800 0.061 0.000 1.475 548 D HN 0.216 nan 8.370 nan 0.000 0.474 549 L N 1.229 122.537 121.223 0.142 0.000 2.376 549 L HA 0.729 5.183 4.340 0.190 0.000 0.275 549 L C -1.466 175.495 176.870 0.152 0.000 0.987 549 L CA -0.504 54.448 54.840 0.187 0.000 0.828 549 L CB 1.493 43.659 42.059 0.178 0.000 1.249 549 L HN 0.510 nan 8.230 nan 0.000 0.409 550 A N 4.288 127.204 122.820 0.159 0.000 2.386 550 A HA 0.894 5.328 4.320 0.190 0.000 0.311 550 A C -1.618 175.948 177.584 -0.029 0.000 1.068 550 A CA -0.494 51.588 52.037 0.075 0.000 0.743 550 A CB 1.992 21.043 19.000 0.084 0.000 1.258 550 A HN 0.865 nan 8.150 nan 0.000 0.429 551 V N 0.308 120.122 119.914 -0.166 0.000 3.159 551 V HA 0.948 5.182 4.120 0.190 0.000 0.308 551 V C -0.753 175.195 176.094 -0.243 0.000 1.190 551 V CA 0.181 62.219 62.300 -0.437 0.000 1.037 551 V CB 2.170 33.450 31.823 -0.905 0.000 1.060 551 V HN 2.137 nan 8.190 nan 0.000 0.437 552 A N 3.615 126.286 122.820 -0.249 0.000 2.574 552 A HA 0.845 5.279 4.320 0.190 0.000 0.297 552 A C -2.211 175.326 177.584 -0.078 0.000 1.062 552 A CA -0.417 51.549 52.037 -0.119 0.000 0.686 552 A CB 1.728 20.656 19.000 -0.121 0.000 1.285 552 A HN 1.498 nan 8.150 nan 0.000 0.403 553 Y N 2.706 122.881 120.300 -0.209 0.000 2.362 553 Y HA 0.589 5.231 4.550 0.154 0.000 0.326 553 Y C -2.745 173.025 175.900 -0.218 0.000 1.083 553 Y CA -2.033 55.876 58.100 -0.319 0.000 1.073 553 Y CB 2.902 41.082 38.460 -0.466 0.000 1.211 553 Y HN 0.482 nan 8.280 nan 0.000 0.433 554 P HA 0.122 nan 4.420 nan 0.000 0.280 554 P C 0.451 177.467 177.300 -0.473 0.000 1.386 554 P CA 0.114 62.941 63.100 -0.454 0.000 0.899 554 P CB 1.355 32.817 31.700 -0.397 0.000 1.098 555 V N 2.578 122.426 119.914 -0.110 0.000 2.261 555 V HA -0.122 4.112 4.120 0.190 0.000 0.246 555 V C 1.595 177.677 176.094 -0.019 0.000 1.047 555 V CA 2.588 64.924 62.300 0.060 0.000 1.015 555 V CB -1.108 30.790 31.823 0.125 0.000 0.642 555 V HN 0.653 nan 8.190 nan 0.000 0.446 556 T N -3.440 111.091 114.554 -0.038 0.000 2.831 556 T HA 0.340 4.804 4.350 0.190 0.000 0.287 556 T C 0.888 175.496 174.700 -0.153 0.000 1.070 556 T CA 0.163 62.221 62.100 -0.071 0.000 1.010 556 T CB 1.603 70.473 68.868 0.004 0.000 1.264 556 T HN 0.226 nan 8.240 nan 0.000 0.532 557 S N -0.816 114.727 115.700 -0.261 0.000 2.515 557 S HA -0.059 4.525 4.470 0.190 0.000 0.231 557 S C 1.249 175.636 174.600 -0.355 0.000 0.987 557 S CA 0.861 58.864 58.200 -0.328 0.000 0.936 557 S CB -0.945 62.026 63.200 -0.380 0.000 0.766 557 S HN 0.858 nan 8.310 nan 0.000 0.528 558 H N -0.403 118.604 119.070 -0.104 0.000 2.553 558 H HA 0.457 5.130 4.556 0.195 0.000 0.276 558 H C 0.009 175.249 175.328 -0.146 0.000 0.979 558 H CA -0.093 55.818 56.048 -0.228 0.000 1.268 558 H CB 0.299 29.790 29.762 -0.452 0.000 1.450 558 H HN 0.271 nan 8.280 nan 0.000 0.527 559 L N 1.895 123.175 121.223 0.096 0.000 2.298 559 L HA 0.370 4.824 4.340 0.190 0.000 0.284 559 L C -0.734 176.168 176.870 0.052 0.000 1.013 559 L CA -0.204 54.733 54.840 0.161 0.000 0.824 559 L CB 1.381 43.598 42.059 0.264 0.000 1.221 559 L HN -0.112 nan 8.230 nan 0.000 0.418 560 T N 4.427 119.005 114.554 0.039 0.000 2.823 560 T HA 0.657 5.120 4.350 0.190 0.000 0.279 560 T C -0.593 174.132 174.700 0.042 0.000 0.998 560 T CA -0.401 61.699 62.100 0.000 0.000 0.994 560 T CB 1.642 70.486 68.868 -0.040 0.000 0.960 560 T HN 0.334 nan 8.240 nan 0.000 0.448 561 V N 4.349 124.295 119.914 0.053 0.000 2.581 561 V HA 0.630 4.864 4.120 0.190 0.000 0.303 561 V C -0.012 176.109 176.094 0.046 0.000 1.041 561 V CA -0.902 61.438 62.300 0.068 0.000 0.907 561 V CB 1.751 33.629 31.823 0.090 0.000 0.994 561 V HN 0.752 nan 8.190 nan 0.000 0.442 562 R N 2.047 122.574 120.500 0.045 0.000 2.771 562 R HA 0.812 5.266 4.340 0.190 0.000 0.274 562 R C -0.427 175.899 176.300 0.043 0.000 0.987 562 R CA -0.807 55.306 56.100 0.022 0.000 0.908 562 R CB 2.534 32.842 30.300 0.013 0.000 1.213 562 R HN 0.896 nan 8.270 nan 0.000 0.468 563 G N 0.962 109.777 108.800 0.024 0.000 2.659 563 G HA2 0.546 4.619 3.960 0.190 0.000 0.296 563 G HA3 0.546 4.619 3.960 0.190 0.000 0.296 563 G C -1.619 173.309 174.900 0.047 0.000 1.369 563 G CA -0.465 44.669 45.100 0.058 0.000 0.937 563 G HN 0.368 nan 8.290 nan 0.000 0.485 564 K N 0.882 121.326 120.400 0.073 0.000 2.523 564 K HA 0.576 5.010 4.320 0.190 0.000 0.257 564 K C -1.428 175.198 176.600 0.044 0.000 0.932 564 K CA -0.816 55.504 56.287 0.054 0.000 0.812 564 K CB 2.128 34.643 32.500 0.025 0.000 1.326 564 K HN 0.411 nan 8.250 nan 0.000 0.433 565 I N 3.162 123.737 120.570 0.008 0.000 2.390 565 I HA 0.337 4.621 4.170 0.190 0.000 0.283 565 I C -0.173 175.881 176.117 -0.105 0.000 1.016 565 I CA -0.881 60.345 61.300 -0.124 0.000 1.151 565 I CB 1.708 39.632 38.000 -0.127 0.000 1.293 565 I HN 0.607 nan 8.210 nan 0.000 0.458 566 A N 4.919 127.656 122.820 -0.139 0.000 2.328 566 A HA 0.433 4.867 4.320 0.190 0.000 0.284 566 A C 0.664 178.202 177.584 -0.077 0.000 1.160 566 A CA -0.204 51.785 52.037 -0.080 0.000 0.818 566 A CB 0.326 19.276 19.000 -0.083 0.000 1.087 566 A HN 0.870 nan 8.150 nan 0.000 0.504 567 N N 0.754 119.457 118.700 0.004 0.000 2.681 567 N HA -0.152 4.702 4.740 0.190 0.000 0.259 567 N C 0.093 175.609 175.510 0.010 0.000 1.066 567 N CA 0.797 53.883 53.050 0.059 0.000 0.717 567 N CB -1.259 37.275 38.487 0.079 0.000 0.885 567 N HN 0.863 nan 8.380 nan 0.000 0.547 568 L N 0.349 121.560 121.223 -0.020 0.000 2.127 568 L HA 0.104 4.558 4.340 0.190 0.000 0.211 568 L C 1.424 178.089 176.870 -0.341 0.000 1.089 568 L CA 1.987 56.681 54.840 -0.242 0.000 0.757 568 L CB -0.462 41.376 42.059 -0.369 0.000 0.899 568 L HN 0.472 nan 8.230 nan 0.000 0.434 569 F N -0.709 119.277 119.950 0.061 0.000 2.664 569 F HA 0.181 4.822 4.527 0.190 0.000 0.303 569 F C 0.760 176.597 175.800 0.062 0.000 1.092 569 F CA 0.051 58.080 58.000 0.048 0.000 1.305 569 F CB -0.090 38.946 39.000 0.060 0.000 1.054 569 F HN 0.085 nan 8.300 nan 0.000 0.565 570 D N 1.687 122.191 120.400 0.172 0.000 2.699 570 D HA -0.254 4.500 4.640 0.190 0.000 0.239 570 D C 0.034 176.430 176.300 0.160 0.000 1.136 570 D CA 0.426 54.500 54.000 0.124 0.000 0.668 570 D CB -0.778 40.077 40.800 0.092 0.000 1.060 570 D HN 0.171 nan 8.370 nan 0.000 0.429 571 K N 0.939 121.462 120.400 0.204 0.000 2.249 571 K HA 0.303 4.737 4.320 0.190 0.000 0.280 571 K C -0.625 176.124 176.600 0.247 0.000 1.033 571 K CA -0.658 55.752 56.287 0.206 0.000 0.946 571 K CB 0.933 33.548 32.500 0.191 0.000 1.005 571 K HN 0.138 nan 8.250 nan 0.000 0.469 572 D N 3.868 124.378 120.400 0.184 0.000 2.295 572 D HA 0.199 4.953 4.640 0.190 0.000 0.248 572 D C -1.271 175.163 176.300 0.222 0.000 1.154 572 D CA 0.172 54.254 54.000 0.136 0.000 0.857 572 D CB 0.069 40.909 40.800 0.067 0.000 1.117 572 D HN 0.489 nan 8.370 nan 0.000 0.468 573 Y N -0.205 120.095 120.300 -0.000 0.000 2.713 573 Y HA 0.601 5.265 4.550 0.189 0.000 0.335 573 Y C -1.482 174.413 175.900 -0.009 0.000 1.222 573 Y CA -1.120 56.975 58.100 -0.007 0.000 1.061 573 Y CB 0.981 39.430 38.460 -0.018 0.000 1.314 573 Y HN 0.214 nan 8.280 nan 0.000 0.453 574 E N 0.015 120.191 120.200 -0.040 0.000 2.340 574 E HA 0.369 4.832 4.350 0.190 0.000 0.273 574 E C -0.657 175.998 176.600 0.091 0.000 0.891 574 E CA -0.537 55.809 56.400 -0.090 0.000 0.757 574 E CB 2.482 32.169 29.700 -0.022 0.000 1.231 574 E HN 0.797 nan 8.360 nan 0.000 0.439 575 T N -2.527 112.065 114.554 0.063 0.000 3.001 575 T HA 0.221 4.685 4.350 0.190 0.000 0.251 575 T C 0.390 175.150 174.700 0.100 0.000 1.040 575 T CA -0.033 62.128 62.100 0.103 0.000 0.985 575 T CB 0.255 69.183 68.868 0.100 0.000 1.011 575 T HN 0.147 nan 8.240 nan 0.000 0.509 576 V N 1.847 121.835 119.914 0.123 0.000 2.588 576 V HA 0.422 4.656 4.120 0.190 0.000 0.304 576 V C -0.898 175.369 176.094 0.289 0.000 1.042 576 V CA -1.668 60.754 62.300 0.204 0.000 0.877 576 V CB 1.447 33.373 31.823 0.172 0.000 0.996 576 V HN 0.404 nan 8.190 nan 0.000 0.425 577 Y N 3.543 123.930 120.300 0.144 0.000 2.717 577 Y HA 0.399 5.062 4.550 0.189 0.000 0.330 577 Y C 1.356 177.299 175.900 0.072 0.000 1.217 577 Y CA 1.677 59.822 58.100 0.076 0.000 1.506 577 Y CB 0.673 39.144 38.460 0.018 0.000 1.268 577 Y HN 1.002 nan 8.280 nan 0.000 0.561 578 G N 3.594 112.044 108.800 -0.583 0.000 2.268 578 G HA2 -0.321 3.753 3.960 0.190 0.000 0.240 578 G HA3 -0.321 3.753 3.960 0.190 0.000 0.240 578 G C -0.365 174.218 174.900 -0.529 0.000 1.010 578 G CA 0.128 44.881 45.100 -0.580 0.000 0.618 578 G HN 0.636 nan 8.290 nan 0.000 0.516 579 Y N 1.772 121.989 120.300 -0.139 0.000 2.385 579 Y HA 0.584 5.247 4.550 0.189 0.000 0.341 579 Y C 0.712 176.523 175.900 -0.148 0.000 0.965 579 Y CA -0.468 57.565 58.100 -0.111 0.000 1.180 579 Y CB 1.310 39.727 38.460 -0.073 0.000 1.139 579 Y HN 0.243 nan 8.280 nan 0.000 0.502 580 Q N 2.982 122.755 119.800 -0.046 0.000 2.296 580 Q HA 0.190 4.643 4.340 0.190 0.000 0.262 580 Q C 0.180 176.094 176.000 -0.143 0.000 0.981 580 Q CA -0.449 55.285 55.803 -0.116 0.000 0.905 580 Q CB 0.882 29.557 28.738 -0.106 0.000 1.186 580 Q HN 0.813 nan 8.270 nan 0.000 0.399 581 T N 0.268 114.650 114.554 -0.287 0.000 2.770 581 T HA 0.430 4.894 4.350 0.190 0.000 0.281 581 T C 1.176 175.750 174.700 -0.210 0.000 0.981 581 T CA -0.142 61.763 62.100 -0.325 0.000 0.955 581 T CB 0.917 69.374 68.868 -0.685 0.000 1.060 581 T HN 0.652 nan 8.240 nan 0.000 0.531 582 A N 0.684 123.418 122.820 -0.144 0.000 1.851 582 A HA 0.452 4.886 4.320 0.190 0.000 0.216 582 A C 1.639 179.197 177.584 -0.044 0.000 1.195 582 A CA 1.408 53.401 52.037 -0.075 0.000 0.622 582 A CB -1.722 17.243 19.000 -0.058 0.000 0.831 582 A HN 2.370 nan 8.150 nan 0.000 0.444 583 G N -2.071 106.723 108.800 -0.009 0.000 2.712 583 G HA2 -0.078 3.996 3.960 0.190 0.000 0.683 583 G HA3 -0.078 3.996 3.960 0.190 0.000 0.683 583 G C -0.159 174.731 174.900 -0.016 0.000 1.320 583 G CA -0.133 44.976 45.100 0.014 0.000 0.847 583 G HN 0.793 nan 8.290 nan 0.000 0.553 584 R N 0.722 121.203 120.500 -0.032 0.000 2.504 584 R HA 0.269 4.723 4.340 0.190 0.000 0.291 584 R C -0.031 176.144 176.300 -0.209 0.000 0.974 584 R CA 0.877 56.894 56.100 -0.139 0.000 1.077 584 R CB 0.001 30.204 30.300 -0.162 0.000 0.926 584 R HN 0.560 nan 8.270 nan 0.000 0.407 585 E N 3.264 123.282 120.200 -0.303 0.000 2.293 585 E HA 0.224 4.688 4.350 0.190 0.000 0.270 585 E C -1.559 174.806 176.600 -0.391 0.000 0.879 585 E CA -0.756 55.484 56.400 -0.267 0.000 0.756 585 E CB 1.807 31.417 29.700 -0.149 0.000 1.208 585 E HN 0.463 nan 8.360 nan 0.000 0.428 586 Y N 0.502 120.782 120.300 -0.033 0.000 2.377 586 Y HA 0.428 5.091 4.550 0.188 0.000 0.339 586 Y C 0.226 176.110 175.900 -0.027 0.000 1.011 586 Y CA -0.479 57.614 58.100 -0.011 0.000 1.093 586 Y CB 2.199 40.669 38.460 0.016 0.000 1.201 586 Y HN 0.308 nan 8.280 nan 0.000 0.455 587 T N 4.082 118.712 114.554 0.127 0.000 2.906 587 T HA 0.650 5.114 4.350 0.190 0.000 0.295 587 T C -1.756 173.036 174.700 0.154 0.000 1.061 587 T CA -0.678 61.478 62.100 0.094 0.000 1.000 587 T CB 1.784 70.636 68.868 -0.028 0.000 1.103 587 T HN 0.335 nan 8.240 nan 0.000 0.486 588 L N 2.737 124.083 121.223 0.205 0.000 2.470 588 L HA 0.736 5.190 4.340 0.190 0.000 0.268 588 L C -0.698 176.293 176.870 0.201 0.000 0.964 588 L CA 0.008 54.966 54.840 0.196 0.000 0.839 588 L CB 1.814 44.013 42.059 0.234 0.000 1.276 588 L HN 0.921 nan 8.230 nan 0.000 0.403 589 S N 1.975 117.762 115.700 0.146 0.000 2.671 589 S HA 1.036 5.620 4.470 0.190 0.000 0.277 589 S C -0.579 174.083 174.600 0.104 0.000 1.165 589 S CA -0.253 58.030 58.200 0.138 0.000 0.822 589 S CB 1.707 64.989 63.200 0.137 0.000 1.150 589 S HN 0.967 nan 8.310 nan 0.000 0.479 590 G N -0.425 108.436 108.800 0.101 0.000 2.708 590 G HA2 0.681 4.755 3.960 0.190 0.000 0.289 590 G HA3 0.681 4.755 3.960 0.190 0.000 0.289 590 G C -1.616 173.338 174.900 0.091 0.000 1.416 590 G CA -0.792 44.363 45.100 0.091 0.000 0.829 590 G HN 0.930 nan 8.290 nan 0.000 0.480 591 S N -0.865 114.891 115.700 0.093 0.000 2.614 591 S HA 0.433 5.017 4.470 0.190 0.000 0.275 591 S C -1.849 172.840 174.600 0.147 0.000 1.161 591 S CA -0.470 57.785 58.200 0.092 0.000 0.969 591 S CB 1.510 64.728 63.200 0.030 0.000 1.059 591 S HN 0.627 nan 8.310 nan 0.000 0.482 592 Y N 2.528 122.848 120.300 0.034 0.000 2.334 592 Y HA 0.499 5.162 4.550 0.188 0.000 0.336 592 Y C -0.195 175.717 175.900 0.021 0.000 0.960 592 Y CA -0.167 57.975 58.100 0.069 0.000 1.164 592 Y CB 0.880 39.405 38.460 0.108 0.000 1.155 592 Y HN 0.548 nan 8.280 nan 0.000 0.478 593 T N 7.569 121.924 114.554 -0.331 0.000 2.867 593 T HA 0.542 5.006 4.350 0.190 0.000 0.282 593 T C -0.959 173.493 174.700 -0.414 0.000 1.000 593 T CA -0.297 61.601 62.100 -0.338 0.000 1.042 593 T CB 0.598 69.359 68.868 -0.179 0.000 0.973 593 T HN 0.537 nan 8.240 nan 0.000 0.465 594 F N 0.000 119.764 119.950 -0.311 0.000 2.286 594 F HA 0.000 4.640 4.527 0.188 0.000 0.279 594 F CA 0.000 57.822 58.000 -0.298 0.000 1.383 594 F CB 0.000 38.804 39.000 -0.327 0.000 1.145 594 F HN 0.000 nan 8.300 nan 0.000 0.574