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 2z49_1_B DATA FIRST_RESID 2 DATA SEQUENCE VLcTNPLDIG ELRSFKSKQc VDIVGNQGSG NIATYDcDGL SDQQIIIcGD DATA SEQUENCE GTIRNEARNY cFTPDGSGNA NVMSSPcTLY PEIPSSQRWR QGRRKTFTDN DATA SEQUENCE GGIEQVATEI INLASGKcLD IEGSDGTGDI GVYDcQNLDD QYFYVRSRGP DATA SEQUENCE ELFYGRLRNE KSDLcLDVEG SDGKGNVLMY ScEDNLDQWF RYYENGEIVN DATA SEQUENCE AKSGMcLDVE GSDGSGNVGI YRcDDLRDQM WSRPNAYcNG DYcSFLNKES DATA SEQUENCE NKcLDVSGDQ GTGDVGTWQc DGLPDQRFKW VFDDWEVPTA TWNMVGcDQN DATA SEQUENCE GKVSQQISNT ISFSSTVTAG VAVEVSSTIE KGVIFAKATV SVKVTASLSK DATA SEQUENCE AWTNSQSGTT AITYTcDNYD SDEEFTRGcM WQLAIETTEV KSGDLLVWNP DATA SEQUENCE QIVKcTRSNT APGcAPFTKc ANEDcTFcTD I 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.150 176.094 0.094 0.000 1.182 2 V CA 0.000 62.368 62.300 0.113 0.000 1.235 2 V CB 0.000 31.885 31.823 0.104 0.000 1.184 3 L N 0.927 122.193 121.223 0.072 0.000 2.387 3 L HA 0.862 5.202 4.340 -0.001 0.000 0.266 3 L C 0.354 177.239 176.870 0.024 0.000 1.059 3 L CA -0.484 54.385 54.840 0.048 0.000 0.801 3 L CB 0.861 42.938 42.059 0.031 0.000 1.223 3 L HN 0.514 nan 8.230 nan 0.000 0.456 4 c N 2.013 120.622 118.600 0.015 0.000 2.619 4 c HA 0.308 4.877 4.570 -0.001 0.000 0.389 4 c C 1.915 175.956 174.090 -0.082 0.000 1.314 4 c CA 0.403 56.724 56.329 -0.014 0.000 1.678 4 c CB -1.226 41.285 42.510 0.002 0.000 2.398 4 c HN 1.050 nan 8.230 nan 0.000 0.582 5 T N 1.234 115.683 114.554 -0.175 0.000 3.067 5 T HA -0.007 4.343 4.350 -0.001 0.000 0.257 5 T C 0.681 175.236 174.700 -0.242 0.000 1.105 5 T CA 0.634 62.559 62.100 -0.291 0.000 1.104 5 T CB -0.317 68.158 68.868 -0.655 0.000 0.925 5 T HN 0.834 nan 8.240 nan 0.000 0.498 6 N N 1.547 120.139 118.700 -0.180 0.000 2.914 6 N HA 0.301 5.041 4.740 -0.001 0.000 0.304 6 N C -3.280 172.141 175.510 -0.149 0.000 1.727 6 N CA -2.285 50.666 53.050 -0.166 0.000 0.986 6 N CB 0.731 39.150 38.487 -0.113 0.000 1.297 6 N HN 0.234 nan 8.380 nan 0.000 0.490 7 P HA 0.088 nan 4.420 nan 0.000 0.271 7 P C 0.619 177.893 177.300 -0.044 0.000 1.218 7 P CA -0.352 62.705 63.100 -0.071 0.000 0.780 7 P CB 1.870 33.593 31.700 0.039 0.000 0.901 8 L N 0.416 121.707 121.223 0.113 0.000 2.470 8 L HA 0.274 4.613 4.340 -0.001 0.000 0.219 8 L C 0.498 177.547 176.870 0.298 0.000 1.071 8 L CA 0.903 55.842 54.840 0.166 0.000 0.850 8 L CB 0.147 42.252 42.059 0.077 0.000 1.040 8 L HN 0.404 nan 8.230 nan 0.000 0.475 9 D N -0.794 119.773 120.400 0.278 0.000 2.747 9 D HA 0.365 5.004 4.640 -0.001 0.000 0.218 9 D C -1.359 174.983 176.300 0.069 0.000 1.230 9 D CA -0.243 53.836 54.000 0.131 0.000 0.774 9 D CB 1.785 42.622 40.800 0.061 0.000 1.667 9 D HN -0.145 nan 8.370 nan 0.000 0.499 10 I N 2.243 122.796 120.570 -0.028 0.000 2.447 10 I HA 0.834 5.004 4.170 -0.001 0.000 0.287 10 I C 0.694 176.772 176.117 -0.064 0.000 1.023 10 I CA -0.425 60.855 61.300 -0.033 0.000 1.083 10 I CB 1.902 39.889 38.000 -0.021 0.000 1.245 10 I HN 0.481 nan 8.210 nan 0.000 0.434 11 G N 4.136 112.905 108.800 -0.052 0.000 2.321 11 G HA2 0.205 4.164 3.960 -0.001 0.000 0.296 11 G HA3 0.205 4.164 3.960 -0.001 0.000 0.296 11 G C -1.632 173.237 174.900 -0.052 0.000 1.287 11 G CA -0.885 44.182 45.100 -0.055 0.000 0.846 11 G HN 0.506 nan 8.290 nan 0.000 0.508 12 E N -0.383 119.784 120.200 -0.054 0.000 2.415 12 E HA 0.262 4.612 4.350 -0.001 0.000 0.263 12 E C -0.497 176.048 176.600 -0.092 0.000 0.995 12 E CA -0.169 56.197 56.400 -0.058 0.000 0.915 12 E CB 1.478 31.145 29.700 -0.055 0.000 0.951 12 E HN 0.325 nan 8.360 nan 0.000 0.449 13 L N 4.629 125.809 121.223 -0.072 0.000 2.264 13 L HA 0.260 4.600 4.340 -0.001 0.000 0.289 13 L C -0.504 176.327 176.870 -0.065 0.000 1.044 13 L CA 0.179 54.974 54.840 -0.075 0.000 0.807 13 L CB 0.444 42.468 42.059 -0.059 0.000 1.192 13 L HN 0.420 nan 8.230 nan 0.000 0.425 14 R N 2.744 123.111 120.500 -0.221 0.000 2.778 14 R HA 0.443 4.782 4.340 -0.001 0.000 0.277 14 R C -0.614 175.701 176.300 0.025 0.000 0.977 14 R CA -0.919 55.045 56.100 -0.226 0.000 0.950 14 R CB 1.931 31.861 30.300 -0.617 0.000 1.165 14 R HN 0.630 nan 8.270 nan 0.000 0.474 15 S N 1.523 117.299 115.700 0.128 0.000 2.510 15 S HA -0.012 4.458 4.470 -0.001 0.000 0.279 15 S C 0.940 175.656 174.600 0.194 0.000 1.284 15 S CA -0.410 57.828 58.200 0.064 0.000 1.059 15 S CB 0.147 63.361 63.200 0.024 0.000 0.901 15 S HN 0.558 nan 8.310 nan 0.000 0.491 16 F N 5.439 125.422 119.950 0.055 0.000 2.202 16 F HA -0.048 4.478 4.527 -0.001 0.000 0.301 16 F C 1.937 177.618 175.800 -0.198 0.000 1.082 16 F CA 1.966 59.957 58.000 -0.015 0.000 1.313 16 F CB -0.160 38.810 39.000 -0.049 0.000 1.024 16 F HN 0.628 nan 8.300 nan 0.000 0.495 17 K N 0.516 120.834 120.400 -0.136 0.000 1.980 17 K HA -0.094 4.225 4.320 -0.001 0.000 0.208 17 K C 2.224 178.704 176.600 -0.200 0.000 1.043 17 K CA 2.104 58.269 56.287 -0.203 0.000 0.938 17 K CB -0.675 31.786 32.500 -0.065 0.000 0.724 17 K HN 0.269 nan 8.250 nan 0.000 0.438 18 S N -0.762 114.879 115.700 -0.099 0.000 2.503 18 S HA 0.171 4.641 4.470 -0.001 0.000 0.215 18 S C 0.165 174.743 174.600 -0.035 0.000 1.003 18 S CA -0.018 58.142 58.200 -0.066 0.000 0.910 18 S CB 0.098 63.283 63.200 -0.025 0.000 0.790 18 S HN 0.288 nan 8.310 nan 0.000 0.514 19 K N -0.279 120.126 120.400 0.007 0.000 3.500 19 K HA -0.124 4.195 4.320 -0.001 0.000 0.313 19 K C -0.467 176.178 176.600 0.075 0.000 1.338 19 K CA 0.969 57.319 56.287 0.105 0.000 0.963 19 K CB -2.055 30.505 32.500 0.100 0.000 1.267 19 K HN 0.531 nan 8.250 nan 0.000 0.448 20 Q N 0.120 119.950 119.800 0.049 0.000 2.394 20 Q HA 0.156 4.495 4.340 -0.001 0.000 0.248 20 Q C 0.462 176.500 176.000 0.063 0.000 0.992 20 Q CA 0.014 55.846 55.803 0.049 0.000 0.888 20 Q CB 0.911 29.677 28.738 0.046 0.000 1.257 20 Q HN 0.217 nan 8.270 nan 0.000 0.462 21 c N 1.294 119.935 118.600 0.067 0.000 2.644 21 c HA 0.147 4.716 4.570 -0.001 0.000 0.417 21 c C 0.604 174.758 174.090 0.107 0.000 1.304 21 c CA -0.714 55.658 56.329 0.071 0.000 2.035 21 c CB 0.076 42.629 42.510 0.073 0.000 2.673 21 c HN 0.461 nan 8.230 nan 0.000 0.602 22 V N 4.269 124.243 119.914 0.101 0.000 2.421 22 V HA 0.079 4.198 4.120 -0.001 0.000 0.271 22 V C 0.184 176.319 176.094 0.069 0.000 1.031 22 V CA 0.649 63.005 62.300 0.094 0.000 1.032 22 V CB 0.304 32.180 31.823 0.088 0.000 1.009 22 V HN 0.918 nan 8.190 nan 0.000 0.477 23 D N 4.649 125.071 120.400 0.035 0.000 2.362 23 D HA 0.544 5.183 4.640 -0.001 0.000 0.247 23 D C -0.484 175.763 176.300 -0.090 0.000 1.050 23 D CA -0.572 53.420 54.000 -0.013 0.000 0.839 23 D CB 1.406 42.207 40.800 0.002 0.000 1.283 23 D HN 0.430 nan 8.370 nan 0.000 0.477 24 I N 3.405 123.917 120.570 -0.098 0.000 2.365 24 I HA 0.214 4.383 4.170 -0.001 0.000 0.291 24 I C 0.478 176.505 176.117 -0.151 0.000 1.004 24 I CA -1.181 60.047 61.300 -0.120 0.000 1.311 24 I CB 1.711 39.667 38.000 -0.073 0.000 1.401 24 I HN 0.254 nan 8.210 nan 0.000 0.491 25 V N 7.227 127.053 119.914 -0.146 0.000 2.901 25 V HA 0.352 4.471 4.120 -0.001 0.000 0.307 25 V C 0.971 176.980 176.094 -0.142 0.000 1.084 25 V CA 1.417 63.619 62.300 -0.163 0.000 1.184 25 V CB 0.084 31.841 31.823 -0.111 0.000 0.941 25 V HN 1.105 nan 8.190 nan 0.000 0.493 26 G N 5.166 113.870 108.800 -0.160 0.000 2.553 26 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.242 26 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.242 26 G C 0.008 174.836 174.900 -0.120 0.000 1.277 26 G CA 0.587 45.615 45.100 -0.120 0.000 0.910 26 G HN 2.141 nan 8.290 nan 0.000 0.576 27 N N -1.046 117.600 118.700 -0.090 0.000 2.241 27 N HA 0.252 4.991 4.740 -0.001 0.000 0.238 27 N C 1.108 176.572 175.510 -0.077 0.000 1.244 27 N CA 0.626 53.629 53.050 -0.080 0.000 0.880 27 N CB 0.945 39.393 38.487 -0.065 0.000 1.179 27 N HN 0.676 nan 8.380 nan 0.000 0.513 28 Q N -0.301 119.448 119.800 -0.086 0.000 2.319 28 Q HA 0.259 4.598 4.340 -0.001 0.000 0.209 28 Q C 0.346 176.268 176.000 -0.131 0.000 0.884 28 Q CA 0.356 56.097 55.803 -0.104 0.000 0.938 28 Q CB 0.490 29.165 28.738 -0.106 0.000 1.098 28 Q HN 0.540 nan 8.270 nan 0.000 0.517 29 G N 1.693 110.434 108.800 -0.097 0.000 2.132 29 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.234 29 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.234 29 G C 0.025 174.890 174.900 -0.058 0.000 0.989 29 G CA 0.382 45.437 45.100 -0.074 0.000 0.676 29 G HN 0.382 nan 8.290 nan 0.000 0.522 30 S N -1.259 114.409 115.700 -0.052 0.000 2.546 30 S HA 1.036 5.506 4.470 -0.001 0.000 0.274 30 S C 0.240 174.863 174.600 0.037 0.000 1.121 30 S CA 0.306 58.552 58.200 0.076 0.000 0.887 30 S CB 2.758 65.986 63.200 0.047 0.000 1.094 30 S HN 2.388 nan 8.310 nan 0.000 0.474 31 G N 1.715 110.550 108.800 0.057 0.000 2.331 31 G HA2 0.078 4.037 3.960 -0.001 0.000 0.479 31 G HA3 0.078 4.037 3.960 -0.001 0.000 0.479 31 G C -1.143 173.732 174.900 -0.041 0.000 1.262 31 G CA -0.749 44.350 45.100 -0.001 0.000 1.029 31 G HN 0.986 nan 8.290 nan 0.000 0.487 32 N N -0.435 118.230 118.700 -0.057 0.000 2.518 32 N HA 0.497 5.236 4.740 -0.001 0.000 0.266 32 N C 0.188 175.625 175.510 -0.122 0.000 1.196 32 N CA -0.079 52.924 53.050 -0.079 0.000 0.947 32 N CB 0.331 38.785 38.487 -0.055 0.000 1.098 32 N HN 0.540 nan 8.380 nan 0.000 0.450 33 I N 1.904 122.372 120.570 -0.169 0.000 2.336 33 I HA 0.589 4.759 4.170 -0.001 0.000 0.292 33 I C 0.142 176.183 176.117 -0.127 0.000 0.991 33 I CA -0.443 60.725 61.300 -0.219 0.000 1.227 33 I CB 1.178 38.907 38.000 -0.452 0.000 1.366 33 I HN 0.564 nan 8.210 nan 0.000 0.466 34 A N 3.692 126.469 122.820 -0.072 0.000 2.588 34 A HA 0.749 5.068 4.320 -0.001 0.000 0.290 34 A C -0.242 177.373 177.584 0.052 0.000 1.136 34 A CA -0.640 51.396 52.037 -0.002 0.000 0.681 34 A CB 1.189 20.199 19.000 0.017 0.000 1.282 34 A HN 0.639 nan 8.150 nan 0.000 0.421 35 T N -1.711 112.899 114.554 0.094 0.000 2.802 35 T HA 0.542 4.892 4.350 -0.001 0.000 0.305 35 T C -0.421 174.406 174.700 0.211 0.000 1.053 35 T CA 0.371 62.550 62.100 0.133 0.000 1.058 35 T CB 0.632 69.567 68.868 0.112 0.000 0.988 35 T HN 1.496 nan 8.240 nan 0.000 0.539 36 Y N -1.101 119.210 120.300 0.018 0.000 2.732 36 Y HA 0.288 4.837 4.550 -0.001 0.000 0.342 36 Y C -1.256 174.651 175.900 0.012 0.000 1.203 36 Y CA -1.169 56.936 58.100 0.009 0.000 1.092 36 Y CB 1.127 39.588 38.460 0.001 0.000 1.345 36 Y HN 0.747 nan 8.280 nan 0.000 0.458 37 D N 1.422 121.641 120.400 -0.302 0.000 2.400 37 D HA 0.136 4.775 4.640 -0.001 0.000 0.238 37 D C -0.549 175.789 176.300 0.063 0.000 1.157 37 D CA 0.491 54.400 54.000 -0.152 0.000 0.889 37 D CB 0.553 41.183 40.800 -0.283 0.000 1.199 37 D HN 0.524 nan 8.370 nan 0.000 0.436 38 c N 2.337 120.965 118.600 0.048 0.000 2.566 38 c HA 0.129 4.698 4.570 -0.001 0.000 0.393 38 c C 1.298 175.423 174.090 0.058 0.000 1.309 38 c CA -0.536 55.833 56.329 0.067 0.000 1.801 38 c CB -0.486 42.048 42.510 0.040 0.000 2.493 38 c HN 0.571 nan 8.230 nan 0.000 0.575 39 D N 0.326 120.774 120.400 0.080 0.000 2.441 39 D HA 0.198 4.837 4.640 -0.001 0.000 0.210 39 D C 1.426 177.737 176.300 0.019 0.000 1.102 39 D CA 0.600 54.633 54.000 0.056 0.000 0.840 39 D CB -0.147 40.722 40.800 0.114 0.000 0.990 39 D HN 0.843 nan 8.370 nan 0.000 0.505 40 G N 0.414 109.223 108.800 0.016 0.000 2.159 40 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.256 40 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.256 40 G C 0.041 174.936 174.900 -0.008 0.000 0.977 40 G CA 0.410 45.511 45.100 0.000 0.000 0.652 40 G HN 0.392 nan 8.290 nan 0.000 0.531 41 L N 0.932 122.150 121.223 -0.007 0.000 2.421 41 L HA 0.463 4.802 4.340 -0.001 0.000 0.263 41 L C 2.181 179.038 176.870 -0.023 0.000 1.122 41 L CA 0.039 54.867 54.840 -0.020 0.000 0.804 41 L CB 1.266 43.309 42.059 -0.025 0.000 1.150 41 L HN 0.299 nan 8.230 nan 0.000 0.457 42 S N -0.824 114.857 115.700 -0.031 0.000 2.474 42 S HA -0.163 4.307 4.470 -0.001 0.000 0.235 42 S C 1.195 175.781 174.600 -0.023 0.000 0.997 42 S CA 0.913 59.095 58.200 -0.030 0.000 0.949 42 S CB -0.370 62.806 63.200 -0.039 0.000 0.766 42 S HN 0.842 nan 8.310 nan 0.000 0.517 43 D N 0.986 121.370 120.400 -0.025 0.000 2.317 43 D HA -0.127 4.512 4.640 -0.001 0.000 0.211 43 D C 1.657 177.961 176.300 0.007 0.000 0.966 43 D CA 0.643 54.634 54.000 -0.015 0.000 0.876 43 D CB -0.523 40.256 40.800 -0.036 0.000 0.927 43 D HN 0.538 nan 8.370 nan 0.000 0.519 44 Q N -0.535 119.265 119.800 0.001 0.000 2.403 44 Q HA 0.046 4.386 4.340 -0.001 0.000 0.203 44 Q C 0.171 176.173 176.000 0.003 0.000 0.932 44 Q CA 0.110 55.921 55.803 0.014 0.000 0.945 44 Q CB 0.417 29.166 28.738 0.018 0.000 1.045 44 Q HN 0.194 nan 8.270 nan 0.000 0.511 45 Q N 1.318 121.114 119.800 -0.006 0.000 2.452 45 Q HA 0.135 4.474 4.340 -0.001 0.000 0.230 45 Q C -0.373 175.617 176.000 -0.016 0.000 1.180 45 Q CA 0.201 55.994 55.803 -0.017 0.000 0.914 45 Q CB 0.318 29.044 28.738 -0.020 0.000 1.408 45 Q HN 0.194 nan 8.270 nan 0.000 0.520 46 I N 3.364 123.913 120.570 -0.036 0.000 2.474 46 I HA 0.220 4.390 4.170 -0.001 0.000 0.287 46 I C 0.692 176.759 176.117 -0.084 0.000 1.048 46 I CA -0.585 60.667 61.300 -0.081 0.000 1.383 46 I CB 0.527 38.437 38.000 -0.151 0.000 1.412 46 I HN 0.380 nan 8.210 nan 0.000 0.531 47 I N 6.309 126.822 120.570 -0.094 0.000 2.328 47 I HA 0.248 4.417 4.170 -0.001 0.000 0.287 47 I C 0.005 176.062 176.117 -0.100 0.000 1.012 47 I CA -0.567 60.706 61.300 -0.045 0.000 1.195 47 I CB 1.099 39.103 38.000 0.006 0.000 1.350 47 I HN 0.208 nan 8.210 nan 0.000 0.464 48 I N 5.800 126.331 120.570 -0.065 0.000 2.347 48 I HA 0.052 4.222 4.170 -0.001 0.000 0.294 48 I C 0.372 176.483 176.117 -0.010 0.000 1.090 48 I CA 0.031 61.288 61.300 -0.071 0.000 1.314 48 I CB 0.651 38.627 38.000 -0.040 0.000 1.423 48 I HN 0.619 nan 8.210 nan 0.000 0.503 49 c N 5.484 124.073 118.600 -0.019 0.000 2.463 49 c HA 0.492 5.061 4.570 -0.001 0.000 0.380 49 c C 1.967 176.063 174.090 0.010 0.000 1.264 49 c CA -0.258 56.073 56.329 0.003 0.000 2.161 49 c CB 0.621 43.137 42.510 0.011 0.000 2.515 49 c HN 1.005 nan 8.230 nan 0.000 0.565 50 G N 2.858 111.656 108.800 -0.003 0.000 2.470 50 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.220 50 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.220 50 G C 0.965 175.873 174.900 0.012 0.000 1.121 50 G CA 1.243 46.342 45.100 -0.002 0.000 0.766 50 G HN 0.955 nan 8.290 nan 0.000 0.553 51 D N -0.838 119.574 120.400 0.020 0.000 2.336 51 D HA 0.235 4.874 4.640 -0.001 0.000 0.229 51 D C 1.730 178.052 176.300 0.036 0.000 1.061 51 D CA 0.720 54.737 54.000 0.028 0.000 0.875 51 D CB -0.433 40.388 40.800 0.035 0.000 0.904 51 D HN 0.445 nan 8.370 nan 0.000 0.525 52 G N -0.055 108.776 108.800 0.051 0.000 2.241 52 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.244 52 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.244 52 G C 0.607 175.604 174.900 0.161 0.000 0.998 52 G CA 0.431 45.584 45.100 0.088 0.000 0.621 52 G HN 0.800 nan 8.290 nan 0.000 0.519 53 T N -0.368 114.261 114.554 0.125 0.000 2.860 53 T HA 0.614 4.964 4.350 -0.001 0.000 0.299 53 T C 0.312 175.056 174.700 0.073 0.000 1.045 53 T CA -0.010 62.188 62.100 0.164 0.000 1.071 53 T CB 1.784 70.718 68.868 0.109 0.000 0.985 53 T HN 0.636 nan 8.240 nan 0.000 0.537 54 I N 2.065 122.631 120.570 -0.006 0.000 2.410 54 I HA 0.453 4.622 4.170 -0.001 0.000 0.286 54 I C 0.606 176.570 176.117 -0.256 0.000 1.009 54 I CA -0.902 60.187 61.300 -0.352 0.000 1.111 54 I CB 1.549 38.973 38.000 -0.961 0.000 1.262 54 I HN 0.647 nan 8.210 nan 0.000 0.443 55 R N 4.248 124.653 120.500 -0.159 0.000 3.228 55 R HA 0.661 5.001 4.340 -0.001 0.000 0.229 55 R C -0.962 175.339 176.300 0.001 0.000 1.583 55 R CA -1.121 54.986 56.100 0.011 0.000 1.035 55 R CB 1.279 31.614 30.300 0.058 0.000 1.696 55 R HN 0.744 nan 8.270 nan 0.000 0.523 56 N N -1.667 117.070 118.700 0.060 0.000 2.825 56 N HA 0.119 4.858 4.740 -0.001 0.000 0.253 56 N C -0.383 175.142 175.510 0.026 0.000 1.426 56 N CA -0.779 52.296 53.050 0.042 0.000 0.851 56 N CB 1.370 39.906 38.487 0.081 0.000 1.470 56 N HN 0.329 nan 8.380 nan 0.000 0.517 57 E N -0.370 119.835 120.200 0.009 0.000 2.435 57 E HA 0.028 4.377 4.350 -0.001 0.000 0.195 57 E C 1.164 177.752 176.600 -0.020 0.000 1.029 57 E CA 0.665 57.063 56.400 -0.002 0.000 0.865 57 E CB 0.039 29.734 29.700 -0.008 0.000 0.833 57 E HN 0.656 nan 8.360 nan 0.000 0.510 58 A N 1.105 123.909 122.820 -0.027 0.000 1.878 58 A HA 0.038 4.357 4.320 -0.001 0.000 0.213 58 A C 1.437 178.975 177.584 -0.078 0.000 1.192 58 A CA 0.578 52.583 52.037 -0.053 0.000 0.619 58 A CB 0.253 19.218 19.000 -0.058 0.000 0.837 58 A HN 0.010 nan 8.150 nan 0.000 0.446 59 R N -0.923 119.529 120.500 -0.081 0.000 2.604 59 R HA 0.258 4.597 4.340 -0.001 0.000 0.281 59 R C -1.473 174.797 176.300 -0.049 0.000 1.020 59 R CA -0.652 55.361 56.100 -0.145 0.000 0.899 59 R CB 0.923 31.015 30.300 -0.347 0.000 1.205 59 R HN 0.217 nan 8.270 nan 0.000 0.450 60 N N 3.138 121.835 118.700 -0.005 0.000 3.027 60 N HA 0.045 4.785 4.740 -0.001 0.000 0.309 60 N C -1.525 174.186 175.510 0.335 0.000 1.222 60 N CA 0.622 53.743 53.050 0.119 0.000 1.187 60 N CB -0.248 38.300 38.487 0.102 0.000 1.458 60 N HN 0.415 nan 8.380 nan 0.000 0.535 61 Y N -0.363 119.973 120.300 0.059 0.000 2.598 61 Y HA 0.478 5.027 4.550 -0.002 0.000 0.340 61 Y C 0.065 176.037 175.900 0.120 0.000 1.038 61 Y CA -1.451 56.695 58.100 0.076 0.000 1.100 61 Y CB 1.601 40.098 38.460 0.062 0.000 1.281 61 Y HN 0.093 nan 8.280 nan 0.000 0.488 62 c N 1.771 120.514 118.600 0.237 0.000 2.454 62 c HA 0.401 4.971 4.570 -0.001 0.000 0.336 62 c C -0.308 174.000 174.090 0.363 0.000 1.189 62 c CA -0.927 55.556 56.329 0.256 0.000 1.877 62 c CB 0.365 42.981 42.510 0.176 0.000 2.348 62 c HN 0.617 nan 8.230 nan 0.000 0.508 63 F N 2.009 122.025 119.950 0.110 0.000 2.541 63 F HA 0.277 4.804 4.527 -0.001 0.000 0.378 63 F C 0.961 176.963 175.800 0.337 0.000 1.068 63 F CA 0.641 58.712 58.000 0.120 0.000 1.199 63 F CB 0.652 39.572 39.000 -0.134 0.000 1.091 63 F HN 0.491 nan 8.300 nan 0.000 0.555 64 T N 5.414 120.164 114.554 0.327 0.000 2.991 64 T HA 0.272 4.621 4.350 -0.001 0.000 0.303 64 T C -2.753 172.049 174.700 0.171 0.000 1.015 64 T CA -1.592 60.647 62.100 0.230 0.000 1.007 64 T CB 1.949 70.872 68.868 0.093 0.000 1.034 64 T HN 0.120 nan 8.240 nan 0.000 0.446 65 P HA 0.258 nan 4.420 nan 0.000 0.282 65 P C -0.679 176.643 177.300 0.037 0.000 1.262 65 P CA -0.451 62.706 63.100 0.095 0.000 0.773 65 P CB 0.458 32.188 31.700 0.050 0.000 0.879 66 D N 3.574 123.992 120.400 0.029 0.000 2.402 66 D HA 0.386 5.026 4.640 -0.001 0.000 0.235 66 D C 0.723 177.028 176.300 0.010 0.000 1.226 66 D CA 0.961 54.968 54.000 0.011 0.000 0.918 66 D CB -0.582 40.222 40.800 0.007 0.000 1.043 66 D HN 0.626 nan 8.370 nan 0.000 0.506 67 G N 2.475 111.275 108.800 -0.000 0.000 2.712 67 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.686 67 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.686 67 G C 0.076 174.971 174.900 -0.007 0.000 1.321 67 G CA -0.309 44.789 45.100 -0.004 0.000 0.813 67 G HN 0.648 nan 8.290 nan 0.000 0.599 68 S N 0.543 116.234 115.700 -0.015 0.000 2.661 68 S HA 0.900 5.369 4.470 -0.001 0.000 0.265 68 S C 1.586 176.178 174.600 -0.013 0.000 1.225 68 S CA 0.682 58.868 58.200 -0.023 0.000 0.986 68 S CB 1.157 64.339 63.200 -0.030 0.000 1.008 68 S HN 2.911 nan 8.310 nan 0.000 0.565 69 G N 1.037 109.824 108.800 -0.022 0.000 2.601 69 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.261 69 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.261 69 G C -0.683 174.218 174.900 0.002 0.000 1.289 69 G CA -0.186 44.903 45.100 -0.020 0.000 0.920 69 G HN 0.933 nan 8.290 nan 0.000 0.571 70 N N 1.626 120.335 118.700 0.015 0.000 2.447 70 N HA 0.539 5.278 4.740 -0.001 0.000 0.263 70 N C 0.489 176.046 175.510 0.079 0.000 1.226 70 N CA 1.070 54.166 53.050 0.077 0.000 0.906 70 N CB 1.029 39.594 38.487 0.130 0.000 1.060 70 N HN 1.401 nan 8.380 nan 0.000 0.468 71 A N 2.024 124.900 122.820 0.093 0.000 2.609 71 A HA 0.494 4.813 4.320 -0.001 0.000 0.291 71 A C -0.576 177.055 177.584 0.078 0.000 1.096 71 A CA -0.861 51.218 52.037 0.070 0.000 0.684 71 A CB 1.078 20.107 19.000 0.049 0.000 1.282 71 A HN 0.562 nan 8.150 nan 0.000 0.412 72 N N -0.296 118.435 118.700 0.053 0.000 2.529 72 N HA 0.482 5.222 4.740 -0.001 0.000 0.278 72 N C -0.927 174.605 175.510 0.037 0.000 1.146 72 N CA 0.127 53.200 53.050 0.039 0.000 0.980 72 N CB 1.185 39.683 38.487 0.018 0.000 1.124 72 N HN 0.408 nan 8.380 nan 0.000 0.458 73 V N 4.470 124.394 119.914 0.017 0.000 2.435 73 V HA 0.471 4.590 4.120 -0.001 0.000 0.290 73 V C 0.185 176.214 176.094 -0.107 0.000 1.030 73 V CA -0.371 61.925 62.300 -0.006 0.000 0.881 73 V CB 0.997 32.825 31.823 0.008 0.000 0.983 73 V HN 0.701 nan 8.190 nan 0.000 0.445 74 M N 2.177 121.718 119.600 -0.099 0.000 2.755 74 M HA 0.475 4.955 4.480 -0.001 0.000 0.298 74 M C -0.241 175.966 176.300 -0.155 0.000 1.251 74 M CA -0.631 54.587 55.300 -0.136 0.000 0.817 74 M CB 2.212 34.776 32.600 -0.060 0.000 1.760 74 M HN 0.458 nan 8.290 nan 0.000 0.473 75 S N 0.891 116.525 115.700 -0.111 0.000 2.399 75 S HA 0.534 5.004 4.470 -0.001 0.000 0.301 75 S C -0.911 173.759 174.600 0.117 0.000 1.093 75 S CA -0.335 57.882 58.200 0.027 0.000 1.077 75 S CB 0.050 63.295 63.200 0.074 0.000 0.980 75 S HN 0.599 nan 8.310 nan 0.000 0.494 76 S N 5.213 120.903 115.700 -0.017 0.000 2.677 76 S HA 0.642 5.112 4.470 -0.001 0.000 0.304 76 S C -2.822 171.299 174.600 -0.799 0.000 1.108 76 S CA -1.341 56.677 58.200 -0.304 0.000 0.944 76 S CB 1.407 64.506 63.200 -0.168 0.000 1.127 76 S HN 0.467 nan 8.310 nan 0.000 0.511 77 P HA 0.063 nan 4.420 nan 0.000 0.264 77 P C -0.821 176.283 177.300 -0.326 0.000 1.179 77 P CA -0.097 62.448 63.100 -0.924 0.000 0.763 77 P CB -0.006 31.404 31.700 -0.483 0.000 0.806 78 c N 2.951 121.474 118.600 -0.128 0.000 2.576 78 c HA 0.165 4.734 4.570 -0.001 0.000 0.401 78 c C 0.879 174.972 174.090 0.004 0.000 1.314 78 c CA 0.195 56.519 56.329 -0.009 0.000 1.855 78 c CB -0.687 41.861 42.510 0.063 0.000 2.537 78 c HN 0.486 nan 8.230 nan 0.000 0.578 79 T N 5.547 120.105 114.554 0.005 0.000 2.875 79 T HA 0.211 4.561 4.350 -0.001 0.000 0.307 79 T C 1.084 175.803 174.700 0.032 0.000 1.013 79 T CA -0.053 62.059 62.100 0.020 0.000 0.970 79 T CB -0.006 68.862 68.868 0.001 0.000 0.986 79 T HN 0.492 nan 8.240 nan 0.000 0.536 80 L N 1.779 123.050 121.223 0.079 0.000 2.509 80 L HA 0.311 4.650 4.340 -0.001 0.000 0.222 80 L C -0.222 176.581 176.870 -0.111 0.000 1.123 80 L CA 0.382 55.237 54.840 0.025 0.000 0.856 80 L CB -0.076 42.050 42.059 0.111 0.000 0.985 80 L HN 0.491 nan 8.230 nan 0.000 0.456 81 Y N -0.002 120.285 120.300 -0.022 0.000 2.406 81 Y HA 0.315 4.864 4.550 -0.001 0.000 0.340 81 Y C -1.298 174.585 175.900 -0.027 0.000 0.975 81 Y CA -1.768 56.316 58.100 -0.027 0.000 1.056 81 Y CB 1.266 39.711 38.460 -0.025 0.000 1.210 81 Y HN -0.213 nan 8.280 nan 0.000 0.448 82 P HA -0.123 nan 4.420 nan 0.000 0.213 82 P C -0.387 176.791 177.300 -0.204 0.000 1.170 82 P CA 1.369 64.469 63.100 -0.000 0.000 0.893 82 P CB 0.704 32.401 31.700 -0.005 0.000 0.784 83 E N -0.745 119.368 120.200 -0.145 0.000 2.447 83 E HA 0.541 4.891 4.350 -0.001 0.000 0.251 83 E C -0.438 176.094 176.600 -0.114 0.000 0.910 83 E CA -1.136 55.160 56.400 -0.174 0.000 0.841 83 E CB 0.646 30.270 29.700 -0.127 0.000 1.403 83 E HN -0.136 nan 8.360 nan 0.000 0.400 84 I N 2.506 123.019 120.570 -0.094 0.000 2.452 84 I HA 0.177 4.346 4.170 -0.001 0.000 0.287 84 I C -1.935 174.149 176.117 -0.056 0.000 1.079 84 I CA -1.885 59.382 61.300 -0.055 0.000 1.387 84 I CB 0.448 38.428 38.000 -0.034 0.000 1.404 84 I HN 0.322 nan 8.210 nan 0.000 0.522 85 P HA 0.031 nan 4.420 nan 0.000 0.271 85 P C 0.651 177.897 177.300 -0.089 0.000 1.216 85 P CA -0.281 62.781 63.100 -0.064 0.000 0.776 85 P CB 1.027 32.693 31.700 -0.057 0.000 0.881 86 S N 1.289 116.929 115.700 -0.100 0.000 2.462 86 S HA -0.184 4.285 4.470 -0.001 0.000 0.243 86 S C 1.770 176.239 174.600 -0.219 0.000 1.003 86 S CA 1.426 59.544 58.200 -0.138 0.000 0.970 86 S CB -1.234 61.897 63.200 -0.116 0.000 0.762 86 S HN 0.604 nan 8.310 nan 0.000 0.510 87 S N 0.967 116.552 115.700 -0.192 0.000 2.453 87 S HA 0.001 4.470 4.470 -0.001 0.000 0.231 87 S C 1.700 176.127 174.600 -0.288 0.000 1.005 87 S CA 0.414 58.468 58.200 -0.242 0.000 0.949 87 S CB -0.494 62.620 63.200 -0.144 0.000 0.774 87 S HN 0.686 nan 8.310 nan 0.000 0.510 88 Q N 0.130 119.822 119.800 -0.179 0.000 2.280 88 Q HA 0.310 4.649 4.340 -0.001 0.000 0.201 88 Q C -0.110 175.845 176.000 -0.075 0.000 0.890 88 Q CA -0.048 55.722 55.803 -0.056 0.000 0.947 88 Q CB 0.467 29.226 28.738 0.034 0.000 1.081 88 Q HN 0.485 nan 8.270 nan 0.000 0.502 89 R N -0.488 119.831 120.500 -0.303 0.000 2.711 89 R HA 0.482 4.821 4.340 -0.001 0.000 0.284 89 R C -1.551 174.495 176.300 -0.423 0.000 0.968 89 R CA -0.319 55.668 56.100 -0.188 0.000 0.924 89 R CB 1.253 31.498 30.300 -0.091 0.000 1.162 89 R HN -0.048 nan 8.270 nan 0.000 0.465 90 W N 1.495 122.787 121.300 -0.013 0.000 3.107 90 W HA 0.486 5.145 4.660 -0.002 0.000 0.331 90 W C -0.415 176.094 176.519 -0.017 0.000 1.204 90 W CA -0.808 56.529 57.345 -0.014 0.000 1.184 90 W CB 1.267 30.710 29.460 -0.027 0.000 1.421 90 W HN 0.483 nan 8.180 nan 0.000 0.544 91 R N 0.411 121.046 120.500 0.226 0.000 2.837 91 R HA 0.644 4.984 4.340 -0.001 0.000 0.271 91 R C -0.877 175.498 176.300 0.125 0.000 0.993 91 R CA -1.134 55.046 56.100 0.133 0.000 0.931 91 R CB 1.571 31.917 30.300 0.076 0.000 1.206 91 R HN 0.515 nan 8.270 nan 0.000 0.474 92 Q N 0.404 120.257 119.800 0.088 0.000 2.313 92 Q HA 0.236 4.575 4.340 -0.001 0.000 0.266 92 Q C 0.141 176.179 176.000 0.062 0.000 0.989 92 Q CA 0.173 56.022 55.803 0.077 0.000 0.890 92 Q CB 1.659 30.440 28.738 0.072 0.000 1.200 92 Q HN 0.834 nan 8.270 nan 0.000 0.396 93 G N 2.492 111.319 108.800 0.045 0.000 3.365 93 G HA2 0.226 4.185 3.960 -0.001 0.000 0.185 93 G HA3 0.226 4.185 3.960 -0.001 0.000 0.185 93 G C -0.197 174.727 174.900 0.041 0.000 1.565 93 G CA -0.545 44.571 45.100 0.027 0.000 0.984 93 G HN 0.477 nan 8.290 nan 0.000 0.604 94 R N 0.194 120.715 120.500 0.035 0.000 2.738 94 R HA 0.364 4.704 4.340 -0.001 0.000 0.268 94 R C 0.327 176.769 176.300 0.237 0.000 1.062 94 R CA -0.034 56.141 56.100 0.125 0.000 1.158 94 R CB 0.517 30.921 30.300 0.174 0.000 1.046 94 R HN 0.606 nan 8.270 nan 0.000 0.493 95 R N 0.885 121.523 120.500 0.229 0.000 2.740 95 R HA 0.458 4.797 4.340 -0.001 0.000 0.282 95 R C -1.075 175.245 176.300 0.034 0.000 0.969 95 R CA -0.907 55.306 56.100 0.189 0.000 0.918 95 R CB 1.727 32.089 30.300 0.103 0.000 1.175 95 R HN 0.419 nan 8.270 nan 0.000 0.464 96 K N 1.635 121.960 120.400 -0.124 0.000 2.371 96 K HA 0.327 4.647 4.320 -0.001 0.000 0.251 96 K C -0.856 175.654 176.600 -0.149 0.000 0.934 96 K CA -0.844 55.221 56.287 -0.370 0.000 0.798 96 K CB 2.628 34.479 32.500 -1.081 0.000 1.204 96 K HN 0.877 nan 8.250 nan 0.000 0.427 97 T N -0.875 113.661 114.554 -0.030 0.000 2.950 97 T HA 0.814 5.163 4.350 -0.001 0.000 0.288 97 T C -0.437 174.439 174.700 0.293 0.000 1.035 97 T CA -0.783 61.373 62.100 0.093 0.000 1.028 97 T CB 0.745 69.631 68.868 0.030 0.000 1.109 97 T HN 0.587 nan 8.240 nan 0.000 0.514 98 F N -1.867 118.104 119.950 0.034 0.000 2.770 98 F HA 0.641 5.168 4.527 -0.001 0.000 0.313 98 F C -1.561 174.215 175.800 -0.040 0.000 1.154 98 F CA -1.063 56.955 58.000 0.029 0.000 0.923 98 F CB 0.982 40.040 39.000 0.096 0.000 1.301 98 F HN 0.594 nan 8.300 nan 0.000 0.449 99 T N 2.402 116.902 114.554 -0.089 0.000 2.788 99 T HA 0.361 4.710 4.350 -0.001 0.000 0.296 99 T C -0.673 173.971 174.700 -0.094 0.000 1.009 99 T CA -0.506 61.472 62.100 -0.204 0.000 0.949 99 T CB 0.633 69.464 68.868 -0.062 0.000 0.946 99 T HN 0.750 nan 8.240 nan 0.000 0.453 100 D N 2.451 122.680 120.400 -0.285 0.000 2.372 100 D HA 0.044 4.683 4.640 -0.001 0.000 0.243 100 D C 0.996 177.321 176.300 0.042 0.000 1.297 100 D CA -0.579 53.436 54.000 0.026 0.000 0.958 100 D CB 0.554 41.352 40.800 -0.002 0.000 1.114 100 D HN 0.111 nan 8.370 nan 0.000 0.496 101 N N -1.014 117.729 118.700 0.072 0.000 2.459 101 N HA 0.008 4.747 4.740 -0.001 0.000 0.181 101 N C 1.659 177.187 175.510 0.030 0.000 1.046 101 N CA 0.960 54.036 53.050 0.043 0.000 0.904 101 N CB -0.216 38.295 38.487 0.040 0.000 0.964 101 N HN 0.704 nan 8.380 nan 0.000 0.444 102 G N -0.464 108.355 108.800 0.032 0.000 2.920 102 G HA2 0.209 4.169 3.960 -0.001 0.000 0.208 102 G HA3 0.209 4.169 3.960 -0.001 0.000 0.208 102 G C 0.966 175.876 174.900 0.017 0.000 1.159 102 G CA 0.388 45.508 45.100 0.034 0.000 0.784 102 G HN 0.380 nan 8.290 nan 0.000 0.535 103 G N -0.238 108.559 108.800 -0.005 0.000 2.137 103 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.237 103 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.237 103 G C 0.107 174.980 174.900 -0.045 0.000 1.002 103 G CA 0.073 45.163 45.100 -0.017 0.000 0.702 103 G HN 0.294 nan 8.290 nan 0.000 0.515 104 I N 0.696 121.218 120.570 -0.081 0.000 2.359 104 I HA 0.359 4.529 4.170 -0.001 0.000 0.294 104 I C 0.677 176.666 176.117 -0.213 0.000 0.987 104 I CA -1.368 59.865 61.300 -0.111 0.000 1.225 104 I CB 1.525 39.476 38.000 -0.082 0.000 1.366 104 I HN 0.242 nan 8.210 nan 0.000 0.466 105 E N 5.785 125.880 120.200 -0.175 0.000 2.324 105 E HA 0.083 4.433 4.350 -0.001 0.000 0.271 105 E C -0.839 175.597 176.600 -0.274 0.000 1.028 105 E CA -0.329 55.937 56.400 -0.224 0.000 0.890 105 E CB 0.720 30.349 29.700 -0.119 0.000 1.004 105 E HN 0.384 nan 8.360 nan 0.000 0.431 106 Q N 2.162 121.677 119.800 -0.474 0.000 2.348 106 Q HA 0.435 4.775 4.340 -0.001 0.000 0.271 106 Q C -0.870 175.035 176.000 -0.159 0.000 1.067 106 Q CA -0.960 54.603 55.803 -0.400 0.000 0.839 106 Q CB 2.263 30.458 28.738 -0.905 0.000 1.354 106 Q HN 0.334 nan 8.270 nan 0.000 0.447 107 V N 0.394 120.327 119.914 0.031 0.000 2.409 107 V HA 0.762 4.881 4.120 -0.001 0.000 0.291 107 V C -0.331 175.913 176.094 0.249 0.000 1.020 107 V CA -0.919 61.449 62.300 0.112 0.000 0.848 107 V CB 1.219 33.100 31.823 0.097 0.000 0.990 107 V HN 0.825 nan 8.190 nan 0.000 0.430 108 A N 3.662 126.632 122.820 0.251 0.000 2.325 108 A HA 0.962 5.281 4.320 -0.001 0.000 0.333 108 A C 0.209 177.973 177.584 0.300 0.000 1.155 108 A CA -0.254 51.985 52.037 0.337 0.000 0.814 108 A CB 1.483 20.683 19.000 0.333 0.000 1.206 108 A HN 1.050 nan 8.150 nan 0.000 0.482 109 T N -0.563 114.180 114.554 0.315 0.000 2.901 109 T HA 0.613 4.962 4.350 -0.001 0.000 0.293 109 T C -0.429 174.291 174.700 0.033 0.000 1.084 109 T CA -0.764 61.464 62.100 0.214 0.000 1.008 109 T CB 1.016 69.969 68.868 0.141 0.000 1.170 109 T HN 0.638 nan 8.240 nan 0.000 0.509 110 E N 0.515 120.553 120.200 -0.271 0.000 2.415 110 E HA 0.323 4.672 4.350 -0.001 0.000 0.262 110 E C -0.539 176.085 176.600 0.040 0.000 1.038 110 E CA -0.071 56.197 56.400 -0.220 0.000 0.921 110 E CB 0.583 30.126 29.700 -0.262 0.000 0.950 110 E HN 0.475 nan 8.360 nan 0.000 0.438 111 I N 3.884 124.531 120.570 0.129 0.000 2.420 111 I HA 0.289 4.459 4.170 -0.001 0.000 0.282 111 I C -0.573 175.714 176.117 0.283 0.000 1.019 111 I CA -0.364 61.020 61.300 0.140 0.000 1.130 111 I CB 0.795 38.765 38.000 -0.049 0.000 1.262 111 I HN 0.289 nan 8.210 nan 0.000 0.454 112 I N 6.020 126.770 120.570 0.300 0.000 2.362 112 I HA 0.231 4.401 4.170 -0.001 0.000 0.289 112 I C 0.339 176.584 176.117 0.213 0.000 0.994 112 I CA -0.537 60.910 61.300 0.245 0.000 1.158 112 I CB 1.377 39.442 38.000 0.109 0.000 1.315 112 I HN 0.560 nan 8.210 nan 0.000 0.451 113 N N 6.296 125.015 118.700 0.031 0.000 2.483 113 N HA 0.081 4.821 4.740 -0.001 0.000 0.264 113 N C 0.787 176.123 175.510 -0.289 0.000 1.197 113 N CA 0.168 52.914 53.050 -0.508 0.000 0.927 113 N CB 1.149 39.202 38.487 -0.724 0.000 1.065 113 N HN 0.638 nan 8.380 nan 0.000 0.461 114 L N 3.093 124.122 121.223 -0.323 0.000 2.217 114 L HA -0.094 4.245 4.340 -0.001 0.000 0.211 114 L C 2.292 179.066 176.870 -0.161 0.000 1.107 114 L CA 0.840 55.571 54.840 -0.181 0.000 0.783 114 L CB -0.393 41.575 42.059 -0.151 0.000 0.919 114 L HN 0.632 nan 8.230 nan 0.000 0.442 115 A N 0.439 123.134 122.820 -0.207 0.000 1.840 115 A HA -0.177 4.143 4.320 -0.001 0.000 0.214 115 A C 2.479 179.991 177.584 -0.120 0.000 1.198 115 A CA 1.944 53.890 52.037 -0.150 0.000 0.608 115 A CB -0.630 18.274 19.000 -0.160 0.000 0.839 115 A HN 0.458 nan 8.150 nan 0.000 0.443 116 S N -2.182 113.437 115.700 -0.135 0.000 2.478 116 S HA 0.360 4.829 4.470 -0.001 0.000 0.222 116 S C 1.556 176.112 174.600 -0.074 0.000 1.008 116 S CA 1.151 59.295 58.200 -0.094 0.000 0.928 116 S CB -0.233 62.915 63.200 -0.087 0.000 0.781 116 S HN 1.977 nan 8.310 nan 0.000 0.518 117 G N 1.385 110.138 108.800 -0.078 0.000 2.166 117 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.260 117 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.260 117 G C -0.013 174.876 174.900 -0.018 0.000 0.986 117 G CA 0.603 45.677 45.100 -0.043 0.000 0.683 117 G HN 0.598 nan 8.290 nan 0.000 0.527 118 K N -0.769 119.621 120.400 -0.017 0.000 2.098 118 K HA 0.535 4.854 4.320 -0.001 0.000 0.257 118 K C 0.382 177.053 176.600 0.118 0.000 0.999 118 K CA -0.576 55.728 56.287 0.029 0.000 0.924 118 K CB 1.093 33.604 32.500 0.018 0.000 1.028 118 K HN 0.139 nan 8.250 nan 0.000 0.466 119 c N 2.329 121.025 118.600 0.160 0.000 2.463 119 c HA 0.223 4.793 4.570 -0.001 0.000 0.380 119 c C 0.184 174.454 174.090 0.301 0.000 1.264 119 c CA -0.800 55.662 56.329 0.221 0.000 2.161 119 c CB -0.169 42.449 42.510 0.180 0.000 2.515 119 c HN 0.653 nan 8.230 nan 0.000 0.565 120 L N 3.752 125.169 121.223 0.324 0.000 2.525 120 L HA 0.198 4.537 4.340 -0.001 0.000 0.278 120 L C -0.069 177.004 176.870 0.339 0.000 1.218 120 L CA 1.325 56.288 54.840 0.205 0.000 0.878 120 L CB 0.176 42.115 42.059 -0.200 0.000 1.127 120 L HN 0.822 nan 8.230 nan 0.000 0.492 121 D N 3.524 124.101 120.400 0.294 0.000 2.859 121 D HA 0.447 5.086 4.640 -0.001 0.000 0.223 121 D C -1.150 175.292 176.300 0.237 0.000 1.218 121 D CA -0.446 53.732 54.000 0.297 0.000 0.850 121 D CB 1.092 42.031 40.800 0.233 0.000 1.656 121 D HN 0.413 nan 8.370 nan 0.000 0.484 122 I N 2.423 123.116 120.570 0.206 0.000 2.428 122 I HA 0.265 4.434 4.170 -0.001 0.000 0.296 122 I C 0.496 176.635 176.117 0.036 0.000 0.985 122 I CA -0.941 60.436 61.300 0.128 0.000 1.260 122 I CB 1.531 39.609 38.000 0.129 0.000 1.389 122 I HN 0.447 nan 8.210 nan 0.000 0.484 123 E N 4.621 124.831 120.200 0.016 0.000 2.481 123 E HA 0.341 4.691 4.350 -0.001 0.000 0.263 123 E C 0.730 177.307 176.600 -0.039 0.000 0.992 123 E CA 0.092 56.476 56.400 -0.027 0.000 0.938 123 E CB 0.212 29.906 29.700 -0.010 0.000 0.933 123 E HN 0.885 nan 8.360 nan 0.000 0.453 124 G N 2.787 111.542 108.800 -0.076 0.000 2.552 124 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.265 124 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.265 124 G C 0.554 175.422 174.900 -0.053 0.000 1.234 124 G CA 0.649 45.712 45.100 -0.062 0.000 0.944 124 G HN 1.303 nan 8.290 nan 0.000 0.568 125 S N -0.787 114.894 115.700 -0.030 0.000 2.728 125 S HA 0.225 4.694 4.470 -0.001 0.000 0.257 125 S C 1.230 175.821 174.600 -0.014 0.000 1.060 125 S CA 1.089 59.278 58.200 -0.018 0.000 1.126 125 S CB 0.607 63.799 63.200 -0.014 0.000 1.099 125 S HN 1.150 nan 8.310 nan 0.000 0.617 126 D N 1.828 122.218 120.400 -0.016 0.000 2.349 126 D HA 0.198 4.837 4.640 -0.001 0.000 0.224 126 D C 1.508 177.795 176.300 -0.021 0.000 1.029 126 D CA 0.859 54.846 54.000 -0.021 0.000 0.879 126 D CB -0.687 40.102 40.800 -0.019 0.000 0.906 126 D HN 0.704 nan 8.370 nan 0.000 0.528 127 G N 0.302 109.096 108.800 -0.010 0.000 2.162 127 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.260 127 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.260 127 G C 0.373 175.285 174.900 0.019 0.000 0.976 127 G CA 0.799 45.897 45.100 -0.003 0.000 0.655 127 G HN 0.877 nan 8.290 nan 0.000 0.533 128 T N -2.480 112.084 114.554 0.017 0.000 2.887 128 T HA 0.950 5.300 4.350 -0.001 0.000 0.288 128 T C 0.552 175.270 174.700 0.031 0.000 1.021 128 T CA 0.504 62.620 62.100 0.027 0.000 1.000 128 T CB 2.753 71.627 68.868 0.010 0.000 1.034 128 T HN 2.287 nan 8.240 nan 0.000 0.467 129 G N 1.799 110.626 108.800 0.045 0.000 2.352 129 G HA2 0.112 4.072 3.960 -0.001 0.000 0.324 129 G HA3 0.112 4.072 3.960 -0.001 0.000 0.324 129 G C -1.510 173.418 174.900 0.047 0.000 1.249 129 G CA -0.752 44.373 45.100 0.040 0.000 1.053 129 G HN 0.880 nan 8.290 nan 0.000 0.492 130 D N -0.005 120.415 120.400 0.033 0.000 2.399 130 D HA 0.485 5.124 4.640 -0.001 0.000 0.241 130 D C 0.442 176.762 176.300 0.033 0.000 1.133 130 D CA 0.530 54.545 54.000 0.025 0.000 0.890 130 D CB 1.006 41.815 40.800 0.016 0.000 1.201 130 D HN 0.486 nan 8.370 nan 0.000 0.432 131 I N 1.160 121.740 120.570 0.016 0.000 2.378 131 I HA 0.514 4.683 4.170 -0.001 0.000 0.291 131 I C 0.898 177.023 176.117 0.014 0.000 0.992 131 I CA -0.153 61.160 61.300 0.022 0.000 1.154 131 I CB 1.761 39.748 38.000 -0.022 0.000 1.315 131 I HN 0.336 nan 8.210 nan 0.000 0.448 132 G N 4.829 113.668 108.800 0.066 0.000 3.021 132 G HA2 0.694 4.654 3.960 -0.001 0.000 0.290 132 G HA3 0.694 4.654 3.960 -0.001 0.000 0.290 132 G C -0.988 174.016 174.900 0.172 0.000 1.291 132 G CA -0.487 44.673 45.100 0.100 0.000 0.834 132 G HN 0.472 nan 8.290 nan 0.000 0.564 133 V N -2.378 117.659 119.914 0.205 0.000 2.834 133 V HA 0.913 5.032 4.120 -0.001 0.000 0.313 133 V C -0.700 175.561 176.094 0.277 0.000 1.060 133 V CA -0.964 61.484 62.300 0.247 0.000 0.989 133 V CB 1.341 33.292 31.823 0.213 0.000 1.041 133 V HN 1.105 nan 8.190 nan 0.000 0.459 134 Y N -0.177 120.183 120.300 0.101 0.000 2.662 134 Y HA 0.329 4.878 4.550 -0.001 0.000 0.334 134 Y C -0.657 175.283 175.900 0.067 0.000 1.185 134 Y CA -0.872 57.273 58.100 0.075 0.000 1.074 134 Y CB 1.523 40.030 38.460 0.077 0.000 1.330 134 Y HN 0.894 nan 8.280 nan 0.000 0.458 135 D N 2.512 122.532 120.400 -0.633 0.000 2.533 135 D HA -0.011 4.628 4.640 -0.001 0.000 0.236 135 D C -0.331 175.983 176.300 0.022 0.000 1.137 135 D CA 0.820 54.622 54.000 -0.329 0.000 0.867 135 D CB 0.603 41.123 40.800 -0.466 0.000 1.170 135 D HN 0.505 nan 8.370 nan 0.000 0.474 136 c N 2.974 121.603 118.600 0.048 0.000 2.663 136 c HA 0.010 4.579 4.570 -0.001 0.000 0.398 136 c C 1.429 175.586 174.090 0.112 0.000 1.356 136 c CA -0.396 55.991 56.329 0.097 0.000 1.629 136 c CB -1.279 41.262 42.510 0.051 0.000 2.402 136 c HN 0.518 nan 8.230 nan 0.000 0.598 137 Q N 1.955 121.855 119.800 0.167 0.000 2.188 137 Q HA 0.105 4.444 4.340 -0.001 0.000 0.212 137 Q C 0.830 176.910 176.000 0.134 0.000 0.846 137 Q CA 0.036 55.933 55.803 0.156 0.000 0.989 137 Q CB -0.555 28.306 28.738 0.204 0.000 1.114 137 Q HN 0.740 nan 8.270 nan 0.000 0.488 138 N N -0.253 118.530 118.700 0.138 0.000 2.650 138 N HA -0.247 4.492 4.740 -0.001 0.000 0.249 138 N C -0.886 174.771 175.510 0.245 0.000 1.155 138 N CA 1.040 54.212 53.050 0.203 0.000 0.747 138 N CB -2.279 36.310 38.487 0.170 0.000 1.132 138 N HN 0.454 nan 8.380 nan 0.000 0.564 139 L N -0.087 121.254 121.223 0.197 0.000 2.439 139 L HA 0.222 4.561 4.340 -0.001 0.000 0.259 139 L C 1.537 178.548 176.870 0.234 0.000 1.129 139 L CA -0.741 54.196 54.840 0.161 0.000 0.803 139 L CB 0.322 42.441 42.059 0.100 0.000 1.161 139 L HN -0.222 nan 8.230 nan 0.000 0.462 140 D N 0.515 121.018 120.400 0.172 0.000 2.158 140 D HA -0.206 4.433 4.640 -0.001 0.000 0.197 140 D C 1.348 177.772 176.300 0.207 0.000 0.995 140 D CA 1.500 55.650 54.000 0.251 0.000 0.846 140 D CB -0.132 40.815 40.800 0.244 0.000 0.941 140 D HN 0.641 nan 8.370 nan 0.000 0.456 141 D N -0.034 120.413 120.400 0.078 0.000 2.352 141 D HA -0.112 4.528 4.640 -0.001 0.000 0.232 141 D C 1.006 177.230 176.300 -0.127 0.000 1.055 141 D CA 0.318 54.292 54.000 -0.044 0.000 0.891 141 D CB -0.207 40.586 40.800 -0.011 0.000 0.897 141 D HN 0.278 nan 8.370 nan 0.000 0.529 142 Q N -0.822 118.961 119.800 -0.029 0.000 2.247 142 Q HA 0.088 4.428 4.340 -0.001 0.000 0.211 142 Q C -0.581 175.294 176.000 -0.208 0.000 0.861 142 Q CA -0.131 55.656 55.803 -0.026 0.000 0.949 142 Q CB 0.634 29.405 28.738 0.055 0.000 1.115 142 Q HN 0.303 nan 8.270 nan 0.000 0.507 143 Y N -0.280 119.827 120.300 -0.321 0.000 2.360 143 Y HA 0.405 4.954 4.550 -0.001 0.000 0.337 143 Y C -0.503 175.174 175.900 -0.371 0.000 1.039 143 Y CA -0.772 57.209 58.100 -0.200 0.000 1.109 143 Y CB 0.914 39.233 38.460 -0.235 0.000 1.201 143 Y HN -0.126 nan 8.280 nan 0.000 0.458 144 F N 2.804 122.931 119.950 0.295 0.000 2.556 144 F HA 0.460 4.987 4.527 -0.001 0.000 0.314 144 F C -0.885 175.107 175.800 0.320 0.000 1.106 144 F CA -1.510 56.648 58.000 0.263 0.000 0.911 144 F CB 1.426 40.485 39.000 0.099 0.000 1.190 144 F HN 0.391 nan 8.300 nan 0.000 0.448 145 Y N -0.178 120.336 120.300 0.358 0.000 2.446 145 Y HA 0.820 5.369 4.550 -0.001 0.000 0.345 145 Y C -1.204 174.812 175.900 0.193 0.000 0.984 145 Y CA -1.759 56.502 58.100 0.269 0.000 1.058 145 Y CB 0.945 39.599 38.460 0.322 0.000 1.220 145 Y HN 0.290 nan 8.280 nan 0.000 0.455 146 V N 5.228 125.239 119.914 0.162 0.000 2.427 146 V HA 0.179 4.299 4.120 -0.001 0.000 0.268 146 V C 0.530 176.692 176.094 0.113 0.000 1.046 146 V CA -0.604 61.721 62.300 0.041 0.000 0.970 146 V CB 0.422 32.265 31.823 0.033 0.000 1.001 146 V HN 0.786 nan 8.190 nan 0.000 0.476 147 R N 3.779 124.282 120.500 0.005 0.000 2.484 147 R HA 0.113 4.452 4.340 -0.001 0.000 0.293 147 R C 0.101 176.451 176.300 0.083 0.000 1.023 147 R CA 0.437 56.612 56.100 0.124 0.000 1.037 147 R CB 0.772 31.083 30.300 0.019 0.000 0.951 147 R HN 0.730 nan 8.270 nan 0.000 0.418 148 S N 3.506 119.270 115.700 0.107 0.000 2.489 148 S HA 0.322 4.791 4.470 -0.001 0.000 0.291 148 S C 0.816 175.409 174.600 -0.011 0.000 1.151 148 S CA -0.661 57.551 58.200 0.020 0.000 1.082 148 S CB 0.917 64.124 63.200 0.013 0.000 1.019 148 S HN 0.708 nan 8.310 nan 0.000 0.492 149 R N 2.873 123.330 120.500 -0.071 0.000 2.317 149 R HA 0.242 4.582 4.340 -0.001 0.000 0.208 149 R C 1.310 177.616 176.300 0.010 0.000 0.914 149 R CA 0.454 56.496 56.100 -0.098 0.000 1.060 149 R CB -0.330 29.731 30.300 -0.398 0.000 1.015 149 R HN 0.947 nan 8.270 nan 0.000 0.498 150 G N 1.947 110.756 108.800 0.014 0.000 2.796 150 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.226 150 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.226 150 G C -2.575 172.374 174.900 0.081 0.000 1.381 150 G CA -1.148 43.970 45.100 0.031 0.000 0.867 150 G HN 0.018 nan 8.290 nan 0.000 0.552 151 P HA 0.222 nan 4.420 nan 0.000 0.267 151 P C -0.004 177.311 177.300 0.024 0.000 1.200 151 P CA 0.133 63.240 63.100 0.010 0.000 0.772 151 P CB 0.586 32.252 31.700 -0.055 0.000 0.855 152 E N 2.515 122.695 120.200 -0.034 0.000 2.290 152 E HA 0.065 4.415 4.350 -0.001 0.000 0.277 152 E C 0.300 176.691 176.600 -0.348 0.000 1.035 152 E CA -0.103 56.100 56.400 -0.329 0.000 0.873 152 E CB 0.260 29.767 29.700 -0.323 0.000 1.029 152 E HN 0.404 nan 8.360 nan 0.000 0.419 153 L N 4.245 125.196 121.223 -0.455 0.000 2.286 153 L HA 0.255 4.594 4.340 -0.001 0.000 0.203 153 L C 0.071 176.365 176.870 -0.961 0.000 1.068 153 L CA 0.384 54.890 54.840 -0.556 0.000 0.811 153 L CB 0.298 42.128 42.059 -0.382 0.000 0.989 153 L HN 0.477 nan 8.230 nan 0.000 0.467 154 F N -1.766 117.867 119.950 -0.529 0.000 2.693 154 F HA 0.460 4.986 4.527 -0.001 0.000 0.309 154 F C -0.928 174.134 175.800 -1.230 0.000 1.129 154 F CA -1.102 56.260 58.000 -1.063 0.000 0.948 154 F CB 1.887 39.996 39.000 -1.484 0.000 1.315 154 F HN -0.154 nan 8.300 nan 0.000 0.447 155 Y N -0.704 118.874 120.300 -1.203 0.000 2.656 155 Y HA 0.909 5.459 4.550 -0.001 0.000 0.334 155 Y C -0.221 175.239 175.900 -0.734 0.000 1.179 155 Y CA -1.399 56.156 58.100 -0.908 0.000 1.050 155 Y CB 1.453 39.652 38.460 -0.436 0.000 1.308 155 Y HN 1.121 nan 8.280 nan 0.000 0.456 156 G N 0.887 109.191 108.800 -0.826 0.000 2.331 156 G HA2 0.117 4.076 3.960 -0.001 0.000 0.479 156 G HA3 0.117 4.076 3.960 -0.001 0.000 0.479 156 G C -1.599 173.028 174.900 -0.456 0.000 1.262 156 G CA -1.215 43.205 45.100 -1.133 0.000 1.029 156 G HN 0.808 nan 8.290 nan 0.000 0.487 157 R N -1.025 119.382 120.500 -0.154 0.000 2.582 157 R HA 0.593 4.932 4.340 -0.001 0.000 0.271 157 R C -0.168 176.162 176.300 0.050 0.000 1.078 157 R CA -0.254 55.895 56.100 0.083 0.000 1.127 157 R CB 0.497 30.879 30.300 0.138 0.000 1.038 157 R HN 0.377 nan 8.270 nan 0.000 0.500 158 L N 2.765 123.957 121.223 -0.051 0.000 2.295 158 L HA 0.411 4.751 4.340 -0.001 0.000 0.281 158 L C -0.103 176.773 176.870 0.011 0.000 1.018 158 L CA -0.422 54.263 54.840 -0.259 0.000 0.841 158 L CB 1.349 42.993 42.059 -0.692 0.000 1.218 158 L HN 0.384 nan 8.230 nan 0.000 0.424 159 R N 3.136 123.654 120.500 0.029 0.000 2.265 159 R HA 0.222 4.561 4.340 -0.001 0.000 0.319 159 R C 0.045 176.397 176.300 0.087 0.000 1.006 159 R CA -0.362 55.788 56.100 0.083 0.000 0.880 159 R CB 0.699 31.034 30.300 0.058 0.000 1.077 159 R HN 0.528 nan 8.270 nan 0.000 0.454 160 N N 2.486 121.166 118.700 -0.033 0.000 2.518 160 N HA -0.094 4.645 4.740 -0.001 0.000 0.266 160 N C 0.358 175.771 175.510 -0.162 0.000 1.196 160 N CA 0.341 53.167 53.050 -0.374 0.000 0.947 160 N CB 1.199 39.431 38.487 -0.425 0.000 1.098 160 N HN 0.785 nan 8.380 nan 0.000 0.450 161 E N 2.714 122.765 120.200 -0.248 0.000 2.106 161 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 161 E C 1.228 177.639 176.600 -0.314 0.000 0.984 161 E CA 1.144 57.304 56.400 -0.400 0.000 0.806 161 E CB 0.193 29.555 29.700 -0.563 0.000 0.750 161 E HN 0.507 nan 8.360 nan 0.000 0.458 162 K N 0.433 120.679 120.400 -0.256 0.000 1.991 162 K HA -0.078 4.241 4.320 -0.001 0.000 0.207 162 K C 2.116 178.630 176.600 -0.143 0.000 1.045 162 K CA 2.079 58.253 56.287 -0.188 0.000 0.937 162 K CB -0.223 32.177 32.500 -0.167 0.000 0.720 162 K HN 0.125 nan 8.250 nan 0.000 0.438 163 S N -0.673 114.948 115.700 -0.131 0.000 2.492 163 S HA 0.067 4.537 4.470 -0.001 0.000 0.218 163 S C -0.067 174.494 174.600 -0.065 0.000 1.016 163 S CA 0.433 58.579 58.200 -0.091 0.000 0.916 163 S CB -0.027 63.124 63.200 -0.083 0.000 0.791 163 S HN 0.377 nan 8.310 nan 0.000 0.513 164 D N 0.773 121.139 120.400 -0.057 0.000 3.076 164 D HA -0.120 4.519 4.640 -0.001 0.000 0.218 164 D C -0.218 176.085 176.300 0.004 0.000 1.156 164 D CA 0.662 54.657 54.000 -0.009 0.000 0.921 164 D CB -1.879 38.918 40.800 -0.005 0.000 1.113 164 D HN 0.444 nan 8.370 nan 0.000 0.418 165 L N -0.193 121.026 121.223 -0.007 0.000 2.468 165 L HA 0.376 4.715 4.340 -0.001 0.000 0.254 165 L C 0.991 177.902 176.870 0.068 0.000 1.171 165 L CA -0.440 54.411 54.840 0.019 0.000 0.809 165 L CB 1.094 43.155 42.059 0.003 0.000 1.155 165 L HN 0.036 nan 8.230 nan 0.000 0.473 166 c N 1.230 119.896 118.600 0.109 0.000 2.391 166 c HA 0.380 4.950 4.570 -0.001 0.000 0.339 166 c C 0.434 174.619 174.090 0.157 0.000 1.205 166 c CA -0.949 55.462 56.329 0.138 0.000 1.937 166 c CB 1.225 43.824 42.510 0.148 0.000 2.341 166 c HN 0.533 nan 8.230 nan 0.000 0.516 167 L N 2.945 124.243 121.223 0.125 0.000 2.559 167 L HA 0.073 4.412 4.340 -0.001 0.000 0.274 167 L C -0.060 176.921 176.870 0.186 0.000 1.205 167 L CA 1.143 56.016 54.840 0.056 0.000 0.907 167 L CB 0.106 42.016 42.059 -0.247 0.000 1.153 167 L HN 0.786 nan 8.230 nan 0.000 0.490 168 D N 2.580 123.076 120.400 0.159 0.000 2.547 168 D HA 0.534 5.174 4.640 -0.001 0.000 0.231 168 D C -1.247 175.121 176.300 0.113 0.000 1.099 168 D CA -0.393 53.699 54.000 0.154 0.000 0.901 168 D CB 2.296 43.186 40.800 0.150 0.000 1.478 168 D HN 0.082 nan 8.370 nan 0.000 0.471 169 V N 2.239 122.193 119.914 0.067 0.000 2.459 169 V HA 0.321 4.440 4.120 -0.001 0.000 0.295 169 V C -0.045 176.031 176.094 -0.030 0.000 1.029 169 V CA -0.996 61.328 62.300 0.040 0.000 0.874 169 V CB 1.285 33.137 31.823 0.048 0.000 0.985 169 V HN 0.674 nan 8.190 nan 0.000 0.438 170 E N 3.658 123.841 120.200 -0.029 0.000 2.502 170 E HA 0.363 4.713 4.350 -0.001 0.000 0.261 170 E C 0.805 177.363 176.600 -0.070 0.000 0.974 170 E CA 0.457 56.818 56.400 -0.065 0.000 0.936 170 E CB 0.143 29.826 29.700 -0.027 0.000 0.926 170 E HN 1.284 nan 8.360 nan 0.000 0.459 171 G N 3.217 111.953 108.800 -0.106 0.000 2.528 171 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.262 171 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.262 171 G C 0.422 175.274 174.900 -0.080 0.000 1.200 171 G CA 0.380 45.431 45.100 -0.082 0.000 0.951 171 G HN 1.223 nan 8.290 nan 0.000 0.566 172 S N -0.465 115.204 115.700 -0.052 0.000 2.820 172 S HA 0.270 4.739 4.470 -0.001 0.000 0.265 172 S C 0.985 175.564 174.600 -0.035 0.000 1.043 172 S CA 1.042 59.216 58.200 -0.043 0.000 1.245 172 S CB 0.716 63.894 63.200 -0.036 0.000 1.187 172 S HN 1.123 nan 8.310 nan 0.000 0.673 173 D N 2.220 122.601 120.400 -0.031 0.000 2.355 173 D HA 0.201 4.840 4.640 -0.001 0.000 0.218 173 D C 1.466 177.751 176.300 -0.026 0.000 1.004 173 D CA 0.855 54.839 54.000 -0.027 0.000 0.880 173 D CB -0.801 39.987 40.800 -0.021 0.000 0.911 173 D HN 0.627 nan 8.370 nan 0.000 0.528 174 G N 0.174 108.958 108.800 -0.027 0.000 2.153 174 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.252 174 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.252 174 G C -0.043 174.862 174.900 0.009 0.000 0.994 174 G CA 0.382 45.468 45.100 -0.024 0.000 0.698 174 G HN 0.511 nan 8.290 nan 0.000 0.521 175 K N -0.522 119.887 120.400 0.014 0.000 2.318 175 K HA 0.709 5.028 4.320 -0.001 0.000 0.249 175 K C 0.778 177.405 176.600 0.045 0.000 0.942 175 K CA -0.076 56.231 56.287 0.033 0.000 0.808 175 K CB 2.094 34.604 32.500 0.017 0.000 1.189 175 K HN 1.332 nan 8.250 nan 0.000 0.428 176 G N 1.902 110.746 108.800 0.072 0.000 2.482 176 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.214 176 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.214 176 G C -0.873 174.072 174.900 0.075 0.000 1.271 176 G CA -0.619 44.524 45.100 0.073 0.000 0.944 176 G HN 0.662 nan 8.290 nan 0.000 0.568 177 N N -0.558 118.175 118.700 0.055 0.000 2.492 177 N HA 0.410 5.149 4.740 -0.001 0.000 0.262 177 N C 0.160 175.699 175.510 0.049 0.000 1.202 177 N CA 0.272 53.352 53.050 0.050 0.000 0.926 177 N CB 1.089 39.598 38.487 0.038 0.000 1.078 177 N HN 0.697 nan 8.380 nan 0.000 0.454 178 V N 4.916 124.858 119.914 0.047 0.000 2.439 178 V HA 0.518 4.637 4.120 -0.001 0.000 0.282 178 V C 0.304 176.414 176.094 0.028 0.000 1.039 178 V CA -0.462 61.860 62.300 0.036 0.000 0.913 178 V CB 0.388 32.209 31.823 -0.004 0.000 0.983 178 V HN 0.640 nan 8.190 nan 0.000 0.460 179 L N 2.433 123.684 121.223 0.046 0.000 2.654 179 L HA 0.763 5.103 4.340 -0.001 0.000 0.257 179 L C -1.150 175.780 176.870 0.101 0.000 1.093 179 L CA -1.126 53.753 54.840 0.064 0.000 0.903 179 L CB 2.159 44.263 42.059 0.075 0.000 1.520 179 L HN 0.306 nan 8.230 nan 0.000 0.402 180 M N 1.246 120.914 119.600 0.112 0.000 2.216 180 M HA 0.504 4.983 4.480 -0.001 0.000 0.356 180 M C -0.993 175.429 176.300 0.204 0.000 1.205 180 M CA 0.068 55.447 55.300 0.131 0.000 1.122 180 M CB 0.655 33.299 32.600 0.074 0.000 1.571 180 M HN 0.661 nan 8.290 nan 0.000 0.464 181 Y N -0.363 119.963 120.300 0.042 0.000 2.638 181 Y HA 0.309 4.858 4.550 -0.001 0.000 0.335 181 Y C 0.086 176.011 175.900 0.042 0.000 1.155 181 Y CA -0.701 57.422 58.100 0.038 0.000 1.046 181 Y CB 1.634 40.120 38.460 0.043 0.000 1.303 181 Y HN 0.698 nan 8.280 nan 0.000 0.460 182 S N 1.827 117.356 115.700 -0.284 0.000 2.563 182 S HA 0.026 4.495 4.470 -0.001 0.000 0.294 182 S C -0.366 174.324 174.600 0.150 0.000 1.279 182 S CA -0.276 57.870 58.200 -0.090 0.000 1.069 182 S CB -0.546 62.529 63.200 -0.208 0.000 0.828 182 S HN 0.646 nan 8.310 nan 0.000 0.497 183 c N 5.609 124.274 118.600 0.108 0.000 2.648 183 c HA 0.327 4.896 4.570 -0.001 0.000 0.415 183 c C 0.698 174.877 174.090 0.148 0.000 1.366 183 c CA -0.331 56.081 56.329 0.138 0.000 1.756 183 c CB -1.435 41.141 42.510 0.110 0.000 2.549 183 c HN 0.822 nan 8.230 nan 0.000 0.597 184 E N 0.822 121.123 120.200 0.168 0.000 2.317 184 E HA 0.170 4.520 4.350 -0.001 0.000 0.270 184 E C -0.836 175.856 176.600 0.153 0.000 0.885 184 E CA -0.570 55.921 56.400 0.151 0.000 0.760 184 E CB 1.337 31.127 29.700 0.150 0.000 1.227 184 E HN 0.556 nan 8.360 nan 0.000 0.434 185 D N 2.113 122.594 120.400 0.134 0.000 2.982 185 D HA 0.044 4.684 4.640 -0.001 0.000 0.238 185 D C -1.084 175.279 176.300 0.105 0.000 1.168 185 D CA 0.291 54.373 54.000 0.137 0.000 0.947 185 D CB -0.695 40.175 40.800 0.116 0.000 1.147 185 D HN 0.318 nan 8.370 nan 0.000 0.450 186 N N 0.597 119.364 118.700 0.111 0.000 2.238 186 N HA 0.141 4.880 4.740 -0.001 0.000 0.302 186 N C 0.721 176.275 175.510 0.073 0.000 1.072 186 N CA -0.869 52.221 53.050 0.067 0.000 0.792 186 N CB 1.898 40.412 38.487 0.046 0.000 1.425 186 N HN -0.117 nan 8.380 nan 0.000 0.478 187 L N 1.595 122.831 121.223 0.021 0.000 2.261 187 L HA -0.152 4.187 4.340 -0.001 0.000 0.216 187 L C 1.816 178.680 176.870 -0.010 0.000 1.114 187 L CA 1.712 56.556 54.840 0.006 0.000 0.777 187 L CB -0.970 41.054 42.059 -0.058 0.000 0.910 187 L HN 0.780 nan 8.230 nan 0.000 0.440 188 D N -1.330 119.048 120.400 -0.037 0.000 2.371 188 D HA -0.195 4.445 4.640 -0.001 0.000 0.221 188 D C 1.494 177.694 176.300 -0.166 0.000 0.986 188 D CA 0.567 54.505 54.000 -0.104 0.000 0.899 188 D CB -0.015 40.748 40.800 -0.061 0.000 0.902 188 D HN 0.422 nan 8.370 nan 0.000 0.530 189 Q N -1.156 118.613 119.800 -0.052 0.000 2.282 189 Q HA 0.064 4.404 4.340 -0.001 0.000 0.206 189 Q C -0.079 175.928 176.000 0.011 0.000 0.878 189 Q CA -0.386 55.431 55.803 0.023 0.000 0.944 189 Q CB 0.680 29.509 28.738 0.152 0.000 1.100 189 Q HN 0.344 nan 8.270 nan 0.000 0.509 190 W N 0.805 121.955 121.300 -0.250 0.000 2.331 190 W HA 0.347 5.007 4.660 -0.001 0.000 0.306 190 W C -1.565 174.771 176.519 -0.306 0.000 1.162 190 W CA -0.281 57.005 57.345 -0.097 0.000 1.232 190 W CB 0.373 29.818 29.460 -0.025 0.000 1.235 190 W HN -0.097 nan 8.180 nan 0.000 0.479 191 F N 4.107 124.060 119.950 0.005 0.000 2.556 191 F HA 0.560 5.086 4.527 -0.001 0.000 0.327 191 F C 0.141 175.989 175.800 0.081 0.000 1.059 191 F CA -1.093 56.989 58.000 0.135 0.000 0.953 191 F CB 1.689 40.772 39.000 0.138 0.000 1.227 191 F HN 0.098 nan 8.300 nan 0.000 0.478 192 R N 0.946 121.654 120.500 0.347 0.000 2.561 192 R HA 0.406 4.746 4.340 -0.001 0.000 0.297 192 R C -1.971 174.390 176.300 0.101 0.000 0.969 192 R CA -0.945 55.211 56.100 0.094 0.000 0.879 192 R CB 2.124 32.480 30.300 0.094 0.000 1.178 192 R HN 0.565 nan 8.270 nan 0.000 0.445 193 Y N 3.129 123.247 120.300 -0.304 0.000 2.341 193 Y HA 0.426 4.975 4.550 -0.001 0.000 0.338 193 Y C -1.513 174.238 175.900 -0.248 0.000 0.965 193 Y CA -1.475 56.596 58.100 -0.048 0.000 1.108 193 Y CB 0.813 39.407 38.460 0.222 0.000 1.180 193 Y HN 0.507 nan 8.280 nan 0.000 0.458 194 Y N 2.984 123.219 120.300 -0.109 0.000 2.567 194 Y HA 0.272 4.821 4.550 -0.001 0.000 0.333 194 Y C 1.421 177.140 175.900 -0.301 0.000 1.106 194 Y CA -0.797 57.199 58.100 -0.172 0.000 1.157 194 Y CB 1.362 39.815 38.460 -0.013 0.000 1.277 194 Y HN 0.643 nan 8.280 nan 0.000 0.490 195 E N 1.495 121.675 120.200 -0.034 0.000 2.160 195 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 195 E C 1.397 178.009 176.600 0.020 0.000 0.991 195 E CA 1.999 58.366 56.400 -0.055 0.000 0.810 195 E CB -0.196 29.489 29.700 -0.025 0.000 0.742 195 E HN 0.708 nan 8.360 nan 0.000 0.466 196 N N -0.367 118.382 118.700 0.081 0.000 2.609 196 N HA -0.028 4.711 4.740 -0.001 0.000 0.190 196 N C 1.331 176.933 175.510 0.153 0.000 1.157 196 N CA 1.284 54.389 53.050 0.092 0.000 0.918 196 N CB -0.080 38.452 38.487 0.074 0.000 0.978 196 N HN 0.301 nan 8.380 nan 0.000 0.448 197 G N -0.749 108.182 108.800 0.217 0.000 2.213 197 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.236 197 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.236 197 G C -0.385 174.871 174.900 0.594 0.000 0.991 197 G CA 0.090 45.437 45.100 0.411 0.000 0.629 197 G HN 0.509 nan 8.290 nan 0.000 0.517 198 E N 0.196 120.678 120.200 0.471 0.000 2.384 198 E HA 0.454 4.804 4.350 -0.001 0.000 0.266 198 E C 0.016 177.007 176.600 0.652 0.000 1.012 198 E CA 0.119 56.824 56.400 0.507 0.000 0.901 198 E CB 1.017 30.920 29.700 0.339 0.000 0.967 198 E HN 0.401 nan 8.360 nan 0.000 0.435 199 I N 3.466 124.360 120.570 0.541 0.000 2.382 199 I HA 0.172 4.341 4.170 -0.001 0.000 0.285 199 I C -0.729 175.634 176.117 0.410 0.000 1.007 199 I CA -0.731 60.812 61.300 0.404 0.000 1.142 199 I CB 1.371 39.337 38.000 -0.057 0.000 1.289 199 I HN 0.164 nan 8.210 nan 0.000 0.453 200 V N 6.073 126.281 119.914 0.491 0.000 2.435 200 V HA 0.280 4.399 4.120 -0.001 0.000 0.290 200 V C 0.306 176.629 176.094 0.381 0.000 1.030 200 V CA -0.837 61.708 62.300 0.409 0.000 0.881 200 V CB 1.688 33.735 31.823 0.373 0.000 0.983 200 V HN 0.694 nan 8.190 nan 0.000 0.445 201 N N 2.863 121.704 118.700 0.236 0.000 2.497 201 N HA 0.188 4.927 4.740 -0.001 0.000 0.271 201 N C 1.019 176.513 175.510 -0.027 0.000 1.142 201 N CA 0.383 53.377 53.050 -0.092 0.000 0.965 201 N CB 2.010 40.439 38.487 -0.097 0.000 1.077 201 N HN 0.806 nan 8.380 nan 0.000 0.462 202 A N 4.104 126.898 122.820 -0.044 0.000 1.969 202 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 202 A C 2.047 179.612 177.584 -0.033 0.000 1.169 202 A CA 1.263 53.322 52.037 0.036 0.000 0.635 202 A CB -0.157 18.908 19.000 0.108 0.000 0.810 202 A HN 0.743 nan 8.150 nan 0.000 0.445 203 K N 0.749 121.112 120.400 -0.062 0.000 2.021 203 K HA -0.058 4.261 4.320 -0.001 0.000 0.205 203 K C 2.099 178.673 176.600 -0.043 0.000 1.047 203 K CA 2.088 58.340 56.287 -0.059 0.000 0.943 203 K CB -0.354 32.108 32.500 -0.063 0.000 0.725 203 K HN 0.483 nan 8.250 nan 0.000 0.439 204 S N -1.599 114.081 115.700 -0.033 0.000 2.503 204 S HA 0.201 4.670 4.470 -0.001 0.000 0.217 204 S C 1.445 176.043 174.600 -0.004 0.000 0.999 204 S CA 0.322 58.512 58.200 -0.017 0.000 0.914 204 S CB 0.033 63.230 63.200 -0.006 0.000 0.782 204 S HN 0.540 nan 8.310 nan 0.000 0.520 205 G N 1.202 110.008 108.800 0.011 0.000 2.166 205 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.260 205 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.260 205 G C -0.006 174.925 174.900 0.051 0.000 0.986 205 G CA 0.943 46.062 45.100 0.032 0.000 0.683 205 G HN 0.532 nan 8.290 nan 0.000 0.527 206 M N -1.071 118.566 119.600 0.062 0.000 2.679 206 M HA 0.604 5.083 4.480 -0.001 0.000 0.287 206 M C 0.434 176.828 176.300 0.157 0.000 1.202 206 M CA -0.649 54.700 55.300 0.082 0.000 0.911 206 M CB 1.672 34.301 32.600 0.049 0.000 1.556 206 M HN 0.131 nan 8.290 nan 0.000 0.511 207 c N 1.370 120.082 118.600 0.187 0.000 2.376 207 c HA 0.514 5.083 4.570 -0.001 0.000 0.335 207 c C -0.250 174.005 174.090 0.275 0.000 1.229 207 c CA -0.931 55.550 56.329 0.252 0.000 1.867 207 c CB 0.953 43.614 42.510 0.252 0.000 2.319 207 c HN 0.661 nan 8.230 nan 0.000 0.515 208 L N 3.807 125.191 121.223 0.268 0.000 2.534 208 L HA 0.243 4.583 4.340 -0.001 0.000 0.271 208 L C -0.084 177.032 176.870 0.410 0.000 1.178 208 L CA 1.239 56.182 54.840 0.172 0.000 0.907 208 L CB -0.166 41.751 42.059 -0.237 0.000 1.164 208 L HN 0.831 nan 8.230 nan 0.000 0.482 209 D N 3.318 123.918 120.400 0.333 0.000 2.645 209 D HA 0.570 5.209 4.640 -0.001 0.000 0.228 209 D C -1.547 174.901 176.300 0.246 0.000 1.148 209 D CA -0.571 53.609 54.000 0.301 0.000 0.860 209 D CB 1.891 42.838 40.800 0.246 0.000 1.548 209 D HN 0.244 nan 8.370 nan 0.000 0.460 210 V N 1.999 122.002 119.914 0.149 0.000 2.435 210 V HA 0.349 4.468 4.120 -0.001 0.000 0.290 210 V C 0.171 176.264 176.094 -0.003 0.000 1.030 210 V CA -0.981 61.371 62.300 0.087 0.000 0.881 210 V CB 1.265 33.117 31.823 0.049 0.000 0.983 210 V HN 0.722 nan 8.190 nan 0.000 0.445 211 E N 3.586 123.784 120.200 -0.003 0.000 2.608 211 E HA 0.305 4.654 4.350 -0.001 0.000 0.259 211 E C 0.932 177.492 176.600 -0.067 0.000 0.951 211 E CA 1.284 57.654 56.400 -0.051 0.000 0.945 211 E CB -0.013 29.679 29.700 -0.013 0.000 0.916 211 E HN 1.186 nan 8.360 nan 0.000 0.477 212 G N 3.372 112.103 108.800 -0.115 0.000 2.509 212 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.259 212 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.259 212 G C 0.551 175.392 174.900 -0.098 0.000 1.169 212 G CA 0.702 45.744 45.100 -0.097 0.000 0.953 212 G HN 1.304 nan 8.290 nan 0.000 0.563 213 S N -0.747 114.911 115.700 -0.070 0.000 2.661 213 S HA 0.220 4.689 4.470 -0.001 0.000 0.275 213 S C 1.200 175.762 174.600 -0.063 0.000 1.075 213 S CA 1.151 59.312 58.200 -0.065 0.000 1.251 213 S CB 0.571 63.739 63.200 -0.054 0.000 1.167 213 S HN 1.191 nan 8.310 nan 0.000 0.648 214 D N 2.173 122.539 120.400 -0.056 0.000 2.347 214 D HA 0.213 4.852 4.640 -0.001 0.000 0.215 214 D C 1.583 177.842 176.300 -0.069 0.000 0.976 214 D CA 1.051 55.017 54.000 -0.056 0.000 0.884 214 D CB -0.785 39.988 40.800 -0.045 0.000 0.915 214 D HN 0.791 nan 8.370 nan 0.000 0.526 215 G N -0.606 108.150 108.800 -0.074 0.000 2.159 215 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.256 215 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.256 215 G C 0.102 174.975 174.900 -0.044 0.000 0.977 215 G CA 0.330 45.373 45.100 -0.094 0.000 0.652 215 G HN 0.424 nan 8.290 nan 0.000 0.531 216 S N 0.614 116.303 115.700 -0.019 0.000 2.532 216 S HA 0.761 5.230 4.470 -0.001 0.000 0.318 216 S C 0.625 175.261 174.600 0.060 0.000 1.083 216 S CA 0.411 58.622 58.200 0.018 0.000 1.131 216 S CB 1.321 64.507 63.200 -0.022 0.000 0.973 216 S HN 1.806 nan 8.310 nan 0.000 0.468 217 G N 2.933 111.799 108.800 0.109 0.000 2.360 217 G HA2 0.193 4.152 3.960 -0.001 0.000 0.276 217 G HA3 0.193 4.152 3.960 -0.001 0.000 0.276 217 G C -1.389 173.581 174.900 0.117 0.000 1.256 217 G CA -0.981 44.186 45.100 0.112 0.000 0.890 217 G HN 0.495 nan 8.290 nan 0.000 0.486 218 N N -0.597 118.153 118.700 0.082 0.000 2.530 218 N HA 0.446 5.185 4.740 -0.001 0.000 0.273 218 N C -0.043 175.514 175.510 0.079 0.000 1.173 218 N CA -0.027 53.066 53.050 0.071 0.000 0.967 218 N CB 1.435 39.951 38.487 0.048 0.000 1.109 218 N HN 0.415 nan 8.380 nan 0.000 0.453 219 V N 1.750 121.710 119.914 0.076 0.000 2.539 219 V HA 0.848 4.967 4.120 -0.001 0.000 0.292 219 V C 0.980 177.109 176.094 0.058 0.000 1.045 219 V CA -0.019 62.328 62.300 0.079 0.000 0.945 219 V CB 0.858 32.706 31.823 0.043 0.000 0.993 219 V HN 0.895 nan 8.190 nan 0.000 0.464 220 G N 3.603 112.453 108.800 0.085 0.000 2.606 220 G HA2 0.571 4.530 3.960 -0.001 0.000 0.300 220 G HA3 0.571 4.530 3.960 -0.001 0.000 0.300 220 G C -1.770 173.218 174.900 0.147 0.000 1.360 220 G CA -0.691 44.468 45.100 0.099 0.000 0.783 220 G HN 0.359 nan 8.290 nan 0.000 0.484 221 I N 0.980 121.649 120.570 0.164 0.000 2.312 221 I HA 0.481 4.650 4.170 -0.001 0.000 0.290 221 I C -0.866 175.391 176.117 0.234 0.000 1.008 221 I CA -0.669 60.748 61.300 0.194 0.000 1.226 221 I CB 0.718 38.814 38.000 0.160 0.000 1.371 221 I HN 0.556 nan 8.210 nan 0.000 0.468 222 Y N 5.706 126.063 120.300 0.096 0.000 2.609 222 Y HA 0.444 4.994 4.550 -0.001 0.000 0.342 222 Y C 0.419 176.367 175.900 0.080 0.000 1.058 222 Y CA -1.201 56.945 58.100 0.076 0.000 1.055 222 Y CB 1.499 40.002 38.460 0.072 0.000 1.292 222 Y HN 0.555 nan 8.280 nan 0.000 0.476 223 R N 2.359 122.555 120.500 -0.507 0.000 2.523 223 R HA 0.063 4.402 4.340 -0.001 0.000 0.281 223 R C -1.014 175.309 176.300 0.037 0.000 0.969 223 R CA 0.173 56.116 56.100 -0.262 0.000 1.093 223 R CB -0.242 29.813 30.300 -0.409 0.000 0.917 223 R HN 0.776 nan 8.270 nan 0.000 0.408 224 c N 5.205 123.843 118.600 0.063 0.000 2.648 224 c HA 0.022 4.592 4.570 -0.001 0.000 0.406 224 c C 0.918 175.066 174.090 0.098 0.000 1.406 224 c CA -0.318 56.078 56.329 0.111 0.000 1.610 224 c CB -0.835 41.728 42.510 0.090 0.000 2.451 224 c HN 0.831 nan 8.230 nan 0.000 0.608 225 D N -0.240 120.237 120.400 0.128 0.000 2.479 225 D HA 0.080 4.719 4.640 -0.001 0.000 0.218 225 D C 0.393 176.743 176.300 0.083 0.000 1.177 225 D CA -0.122 53.943 54.000 0.108 0.000 0.830 225 D CB -0.239 40.652 40.800 0.152 0.000 1.014 225 D HN 0.548 nan 8.370 nan 0.000 0.503 226 D N -0.315 120.135 120.400 0.084 0.000 2.978 226 D HA -0.180 4.460 4.640 -0.001 0.000 0.205 226 D C 0.059 176.392 176.300 0.055 0.000 1.093 226 D CA 0.572 54.617 54.000 0.075 0.000 1.006 226 D CB -1.330 39.517 40.800 0.077 0.000 1.116 226 D HN 0.388 nan 8.370 nan 0.000 0.419 227 L N -0.229 121.022 121.223 0.047 0.000 2.456 227 L HA 0.329 4.669 4.340 -0.001 0.000 0.257 227 L C 2.152 179.014 176.870 -0.015 0.000 1.162 227 L CA -0.490 54.359 54.840 0.014 0.000 0.808 227 L CB 0.566 42.630 42.059 0.008 0.000 1.136 227 L HN -0.217 nan 8.230 nan 0.000 0.466 228 R N 0.493 120.968 120.500 -0.043 0.000 2.189 228 R HA -0.129 4.210 4.340 -0.001 0.000 0.218 228 R C 1.547 177.745 176.300 -0.169 0.000 1.074 228 R CA 1.232 57.283 56.100 -0.082 0.000 0.991 228 R CB -0.017 30.242 30.300 -0.069 0.000 0.883 228 R HN 0.807 nan 8.270 nan 0.000 0.457 229 D N -0.510 119.794 120.400 -0.160 0.000 2.363 229 D HA -0.150 4.489 4.640 -0.001 0.000 0.220 229 D C 0.633 176.742 176.300 -0.318 0.000 0.994 229 D CA 0.700 54.554 54.000 -0.245 0.000 0.890 229 D CB 0.080 40.792 40.800 -0.148 0.000 0.906 229 D HN 0.357 nan 8.370 nan 0.000 0.530 230 Q N -0.341 119.349 119.800 -0.185 0.000 2.220 230 Q HA 0.281 4.620 4.340 -0.001 0.000 0.205 230 Q C 0.122 176.066 176.000 -0.094 0.000 0.865 230 Q CA -0.114 55.660 55.803 -0.048 0.000 0.960 230 Q CB 0.705 29.524 28.738 0.134 0.000 1.097 230 Q HN 0.300 nan 8.270 nan 0.000 0.493 231 M N 0.400 119.813 119.600 -0.313 0.000 2.268 231 M HA 0.362 4.842 4.480 -0.001 0.000 0.344 231 M C -1.397 174.715 176.300 -0.313 0.000 1.106 231 M CA -0.289 54.937 55.300 -0.124 0.000 1.010 231 M CB 1.225 33.804 32.600 -0.034 0.000 1.649 231 M HN 0.016 nan 8.290 nan 0.000 0.443 232 W N 1.171 122.612 121.300 0.235 0.000 2.785 232 W HA 0.603 5.262 4.660 -0.001 0.000 0.333 232 W C -0.271 176.445 176.519 0.328 0.000 1.062 232 W CA -0.539 56.945 57.345 0.232 0.000 1.233 232 W CB 1.843 31.424 29.460 0.201 0.000 1.413 232 W HN 0.593 nan 8.180 nan 0.000 0.489 233 S N 1.769 117.719 115.700 0.417 0.000 2.621 233 S HA 0.686 5.156 4.470 -0.001 0.000 0.302 233 S C -0.547 174.133 174.600 0.133 0.000 1.093 233 S CA -1.127 57.264 58.200 0.318 0.000 1.017 233 S CB 2.092 65.402 63.200 0.183 0.000 1.077 233 S HN 0.608 nan 8.310 nan 0.000 0.517 234 R N 1.595 122.143 120.500 0.080 0.000 2.748 234 R HA 0.348 4.687 4.340 -0.001 0.000 0.283 234 R C -2.660 173.617 176.300 -0.038 0.000 1.507 234 R CA -1.691 54.275 56.100 -0.222 0.000 1.666 234 R CB 0.317 30.437 30.300 -0.300 0.000 1.237 234 R HN 0.561 nan 8.270 nan 0.000 0.633 235 P HA 0.040 nan 4.420 nan 0.000 0.271 235 P C -0.121 177.243 177.300 0.106 0.000 1.216 235 P CA -0.094 63.077 63.100 0.117 0.000 0.776 235 P CB 1.017 32.848 31.700 0.217 0.000 0.881 236 N N 2.691 121.441 118.700 0.082 0.000 2.137 236 N HA -0.226 4.513 4.740 -0.001 0.000 0.190 236 N C 1.730 177.265 175.510 0.042 0.000 1.017 236 N CA 1.894 54.979 53.050 0.058 0.000 0.859 236 N CB -0.566 37.951 38.487 0.050 0.000 1.002 236 N HN 0.464 nan 8.380 nan 0.000 0.428 237 A N -0.735 122.103 122.820 0.031 0.000 1.948 237 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 237 A C 1.405 178.896 177.584 -0.155 0.000 1.177 237 A CA 1.394 53.380 52.037 -0.086 0.000 0.636 237 A CB -0.940 17.965 19.000 -0.158 0.000 0.815 237 A HN 0.575 nan 8.150 nan 0.000 0.449 238 Y N -1.533 118.761 120.300 -0.010 0.000 2.468 238 Y HA 0.194 4.743 4.550 -0.001 0.000 0.268 238 Y C 0.786 176.672 175.900 -0.023 0.000 1.177 238 Y CA -0.875 57.217 58.100 -0.013 0.000 1.265 238 Y CB -0.254 38.199 38.460 -0.012 0.000 1.103 238 Y HN 0.181 nan 8.280 nan 0.000 0.522 239 c N 1.298 119.950 118.600 0.086 0.000 2.401 239 c HA 0.339 4.909 4.570 -0.001 0.000 0.365 239 c C 0.467 174.585 174.090 0.047 0.000 1.250 239 c CA -0.668 55.690 56.329 0.049 0.000 2.131 239 c CB 0.058 42.581 42.510 0.022 0.000 2.445 239 c HN 0.361 nan 8.230 nan 0.000 0.550 240 N N 0.843 119.584 118.700 0.069 0.000 2.682 240 N HA 0.466 5.205 4.740 -0.001 0.000 0.252 240 N C 0.509 176.086 175.510 0.111 0.000 1.081 240 N CA 1.166 54.255 53.050 0.066 0.000 0.844 240 N CB 0.652 39.166 38.487 0.045 0.000 1.167 240 N HN 1.057 nan 8.380 nan 0.000 0.523 241 G N 2.955 111.805 108.800 0.083 0.000 2.574 241 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.301 241 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.301 241 G C 0.303 175.250 174.900 0.079 0.000 1.166 241 G CA 0.577 45.732 45.100 0.092 0.000 0.971 241 G HN 0.532 nan 8.290 nan 0.000 0.542 242 D N 0.384 120.828 120.400 0.073 0.000 2.349 242 D HA 0.239 4.878 4.640 -0.001 0.000 0.214 242 D C 0.047 176.238 176.300 -0.181 0.000 1.063 242 D CA 0.305 54.274 54.000 -0.051 0.000 0.847 242 D CB 0.199 40.935 40.800 -0.106 0.000 0.933 242 D HN 0.342 nan 8.370 nan 0.000 0.513 243 Y N 0.425 120.706 120.300 -0.032 0.000 2.367 243 Y HA 0.304 4.853 4.550 -0.001 0.000 0.342 243 Y C 0.344 176.209 175.900 -0.057 0.000 0.979 243 Y CA -0.649 57.419 58.100 -0.053 0.000 1.161 243 Y CB 1.105 39.527 38.460 -0.064 0.000 1.155 243 Y HN -0.167 nan 8.280 nan 0.000 0.503 244 c N 1.368 119.989 118.600 0.035 0.000 2.802 244 c HA 0.617 5.186 4.570 -0.001 0.000 0.307 244 c C -0.148 173.919 174.090 -0.039 0.000 1.222 244 c CA -1.081 55.208 56.329 -0.067 0.000 1.580 244 c CB 1.697 44.040 42.510 -0.278 0.000 2.119 244 c HN 0.822 nan 8.230 nan 0.000 0.479 245 S N 0.753 116.428 115.700 -0.042 0.000 2.586 245 S HA 0.645 5.114 4.470 -0.001 0.000 0.274 245 S C -0.950 173.496 174.600 -0.257 0.000 1.281 245 S CA -0.240 57.959 58.200 -0.002 0.000 1.035 245 S CB 0.292 63.480 63.200 -0.021 0.000 0.962 245 S HN 0.476 nan 8.310 nan 0.000 0.512 246 F N 1.824 121.722 119.950 -0.086 0.000 2.388 246 F HA 0.458 4.984 4.527 -0.001 0.000 0.358 246 F C -0.406 175.457 175.800 0.104 0.000 1.122 246 F CA -0.831 57.126 58.000 -0.071 0.000 1.056 246 F CB 0.675 39.479 39.000 -0.328 0.000 1.155 246 F HN 0.222 nan 8.300 nan 0.000 0.461 247 L N 3.886 125.238 121.223 0.215 0.000 2.289 247 L HA 0.288 4.627 4.340 -0.001 0.000 0.285 247 L C 0.377 177.355 176.870 0.181 0.000 1.049 247 L CA -0.340 54.581 54.840 0.136 0.000 0.804 247 L CB 0.780 42.800 42.059 -0.064 0.000 1.195 247 L HN 0.530 nan 8.230 nan 0.000 0.428 248 N N 2.471 121.165 118.700 -0.010 0.000 2.497 248 N HA 0.021 4.760 4.740 -0.001 0.000 0.268 248 N C 0.589 175.941 175.510 -0.264 0.000 1.171 248 N CA 0.045 52.818 53.050 -0.461 0.000 0.948 248 N CB 0.920 39.075 38.487 -0.553 0.000 1.069 248 N HN 0.572 nan 8.380 nan 0.000 0.460 249 K N 2.084 122.314 120.400 -0.284 0.000 2.288 249 K HA -0.138 4.181 4.320 -0.001 0.000 0.201 249 K C 1.144 177.664 176.600 -0.133 0.000 1.048 249 K CA 0.766 56.967 56.287 -0.144 0.000 0.956 249 K CB 0.244 32.688 32.500 -0.093 0.000 0.746 249 K HN 0.530 nan 8.250 nan 0.000 0.461 250 E N 0.818 120.909 120.200 -0.181 0.000 2.076 250 E HA -0.096 4.254 4.350 -0.001 0.000 0.190 250 E C 1.661 178.196 176.600 -0.108 0.000 0.979 250 E CA 1.692 58.013 56.400 -0.132 0.000 0.807 250 E CB 0.137 29.751 29.700 -0.144 0.000 0.761 250 E HN 0.175 nan 8.360 nan 0.000 0.454 251 S N -1.184 114.442 115.700 -0.125 0.000 2.512 251 S HA 0.161 4.631 4.470 -0.001 0.000 0.216 251 S C 0.450 175.001 174.600 -0.081 0.000 1.006 251 S CA 0.189 58.331 58.200 -0.096 0.000 0.915 251 S CB 0.031 63.175 63.200 -0.093 0.000 0.824 251 S HN 0.267 nan 8.310 nan 0.000 0.497 252 N N 1.021 119.672 118.700 -0.083 0.000 2.800 252 N HA -0.127 4.612 4.740 -0.001 0.000 0.250 252 N C -0.800 174.676 175.510 -0.056 0.000 1.078 252 N CA 1.064 54.078 53.050 -0.059 0.000 0.804 252 N CB -1.345 37.120 38.487 -0.038 0.000 1.135 252 N HN 0.630 nan 8.380 nan 0.000 0.565 253 K N 0.144 120.515 120.400 -0.047 0.000 2.098 253 K HA 0.446 4.765 4.320 -0.001 0.000 0.261 253 K C 0.182 176.818 176.600 0.059 0.000 0.987 253 K CA -0.454 55.828 56.287 -0.008 0.000 0.916 253 K CB 1.482 33.982 32.500 -0.001 0.000 1.039 253 K HN 0.027 nan 8.250 nan 0.000 0.455 254 c N 2.251 120.897 118.600 0.077 0.000 2.539 254 c HA 0.161 4.731 4.570 -0.001 0.000 0.392 254 c C 0.416 174.643 174.090 0.228 0.000 1.269 254 c CA -0.782 55.618 56.329 0.119 0.000 2.250 254 c CB -0.334 42.214 42.510 0.063 0.000 2.584 254 c HN 0.670 nan 8.230 nan 0.000 0.589 255 L N 3.592 124.962 121.223 0.245 0.000 2.540 255 L HA 0.213 4.553 4.340 -0.001 0.000 0.276 255 L C -0.124 176.868 176.870 0.203 0.000 1.212 255 L CA 1.212 56.124 54.840 0.120 0.000 0.893 255 L CB 0.017 41.933 42.059 -0.238 0.000 1.138 255 L HN 0.814 nan 8.230 nan 0.000 0.491 256 D N 3.308 123.812 120.400 0.174 0.000 2.857 256 D HA 0.505 5.144 4.640 -0.001 0.000 0.227 256 D C -1.516 174.845 176.300 0.102 0.000 1.192 256 D CA -0.501 53.597 54.000 0.164 0.000 0.857 256 D CB 1.829 42.742 40.800 0.189 0.000 1.645 256 D HN 0.300 nan 8.370 nan 0.000 0.482 257 V N 2.318 122.266 119.914 0.056 0.000 2.472 257 V HA 0.426 4.545 4.120 -0.001 0.000 0.290 257 V C 0.568 176.619 176.094 -0.072 0.000 1.037 257 V CA -0.881 61.421 62.300 0.004 0.000 0.908 257 V CB 1.469 33.286 31.823 -0.009 0.000 0.985 257 V HN 0.710 nan 8.190 nan 0.000 0.454 258 S N 3.278 118.920 115.700 -0.097 0.000 2.573 258 S HA 0.379 4.848 4.470 -0.001 0.000 0.297 258 S C 0.918 175.433 174.600 -0.142 0.000 1.280 258 S CA 1.066 59.169 58.200 -0.162 0.000 1.061 258 S CB -0.064 63.057 63.200 -0.131 0.000 0.812 258 S HN 1.744 nan 8.310 nan 0.000 0.500 259 G N 3.388 112.080 108.800 -0.180 0.000 2.562 259 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.250 259 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.250 259 G C -0.234 174.602 174.900 -0.107 0.000 1.269 259 G CA 0.357 45.378 45.100 -0.131 0.000 0.919 259 G HN 0.854 nan 8.290 nan 0.000 0.574 260 D N -1.706 118.646 120.400 -0.080 0.000 2.527 260 D HA 0.237 4.876 4.640 -0.001 0.000 0.224 260 D C 1.525 177.781 176.300 -0.074 0.000 1.217 260 D CA 0.303 54.261 54.000 -0.070 0.000 0.819 260 D CB 0.225 40.994 40.800 -0.052 0.000 1.061 260 D HN 0.289 nan 8.370 nan 0.000 0.515 261 Q N 0.591 120.347 119.800 -0.073 0.000 2.392 261 Q HA 0.234 4.573 4.340 -0.001 0.000 0.203 261 Q C 1.371 177.322 176.000 -0.081 0.000 0.917 261 Q CA 0.779 56.538 55.803 -0.072 0.000 0.939 261 Q CB 0.283 28.985 28.738 -0.061 0.000 1.063 261 Q HN 0.479 nan 8.270 nan 0.000 0.516 262 G N 1.677 110.424 108.800 -0.087 0.000 2.249 262 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.273 262 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.273 262 G C 0.752 175.613 174.900 -0.066 0.000 1.036 262 G CA 1.164 46.206 45.100 -0.097 0.000 0.824 262 G HN 0.459 nan 8.290 nan 0.000 0.504 263 T N -4.018 110.506 114.554 -0.050 0.000 2.959 263 T HA 0.536 4.885 4.350 -0.001 0.000 0.254 263 T C 1.572 176.264 174.700 -0.013 0.000 1.003 263 T CA 1.120 63.198 62.100 -0.036 0.000 0.950 263 T CB 0.903 69.744 68.868 -0.045 0.000 1.090 263 T HN 1.164 nan 8.240 nan 0.000 0.503 264 G N 0.859 109.649 108.800 -0.017 0.000 2.773 264 G HA2 0.452 4.411 3.960 -0.001 0.000 0.186 264 G HA3 0.452 4.411 3.960 -0.001 0.000 0.186 264 G C -0.905 174.002 174.900 0.011 0.000 1.411 264 G CA -0.426 44.671 45.100 -0.006 0.000 1.054 264 G HN 0.250 nan 8.290 nan 0.000 0.579 265 D N -0.979 119.422 120.400 0.001 0.000 2.362 265 D HA 0.341 4.980 4.640 -0.001 0.000 0.242 265 D C -0.186 176.117 176.300 0.005 0.000 1.132 265 D CA -0.020 53.986 54.000 0.009 0.000 0.907 265 D CB 1.461 42.261 40.800 -0.000 0.000 1.195 265 D HN -0.031 nan 8.370 nan 0.000 0.429 266 V N 2.024 121.947 119.914 0.016 0.000 2.459 266 V HA 0.815 4.934 4.120 -0.001 0.000 0.295 266 V C 0.945 177.053 176.094 0.023 0.000 1.029 266 V CA -0.180 62.130 62.300 0.016 0.000 0.874 266 V CB 1.287 33.106 31.823 -0.007 0.000 0.985 266 V HN 0.710 nan 8.190 nan 0.000 0.438 267 G N 2.635 111.465 108.800 0.050 0.000 2.815 267 G HA2 0.706 4.666 3.960 -0.001 0.000 0.305 267 G HA3 0.706 4.666 3.960 -0.001 0.000 0.305 267 G C -0.614 174.386 174.900 0.167 0.000 1.277 267 G CA 0.067 45.227 45.100 0.101 0.000 0.795 267 G HN 0.744 nan 8.290 nan 0.000 0.528 268 T N -2.402 112.290 114.554 0.230 0.000 2.855 268 T HA 0.693 5.042 4.350 -0.001 0.000 0.281 268 T C -1.077 173.849 174.700 0.378 0.000 1.007 268 T CA -0.631 61.634 62.100 0.275 0.000 1.009 268 T CB 2.179 71.186 68.868 0.233 0.000 0.983 268 T HN 0.654 nan 8.240 nan 0.000 0.455 269 W N 2.161 123.495 121.300 0.057 0.000 3.167 269 W HA 0.347 5.006 4.660 -0.001 0.000 0.324 269 W C -0.784 175.753 176.519 0.031 0.000 1.230 269 W CA -1.040 56.327 57.345 0.038 0.000 1.184 269 W CB 2.140 31.622 29.460 0.036 0.000 1.414 269 W HN 0.885 nan 8.180 nan 0.000 0.551 270 Q N 2.538 122.100 119.800 -0.397 0.000 2.549 270 Q HA -0.032 4.308 4.340 -0.001 0.000 0.347 270 Q C -0.378 175.632 176.000 0.016 0.000 1.081 270 Q CA 0.996 56.654 55.803 -0.242 0.000 1.093 270 Q CB 0.100 28.600 28.738 -0.397 0.000 1.067 270 Q HN 0.356 nan 8.270 nan 0.000 0.398 271 c N 4.956 123.580 118.600 0.039 0.000 2.657 271 c HA 0.138 4.707 4.570 -0.001 0.000 0.420 271 c C 0.971 175.148 174.090 0.144 0.000 1.323 271 c CA 0.389 56.778 56.329 0.100 0.000 1.894 271 c CB -0.389 42.162 42.510 0.067 0.000 2.681 271 c HN 1.061 nan 8.230 nan 0.000 0.613 272 D N -0.918 119.582 120.400 0.166 0.000 2.516 272 D HA 0.186 4.825 4.640 -0.001 0.000 0.241 272 D C 1.184 177.556 176.300 0.120 0.000 1.246 272 D CA 0.549 54.633 54.000 0.140 0.000 0.808 272 D CB -0.469 40.420 40.800 0.148 0.000 1.147 272 D HN 0.924 nan 8.370 nan 0.000 0.527 273 G N 0.696 109.588 108.800 0.153 0.000 2.184 273 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.264 273 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.264 273 G C 0.052 174.990 174.900 0.062 0.000 0.975 273 G CA 0.555 45.726 45.100 0.120 0.000 0.642 273 G HN 0.415 nan 8.290 nan 0.000 0.536 274 L N 0.767 122.021 121.223 0.050 0.000 2.418 274 L HA 0.290 4.629 4.340 -0.001 0.000 0.265 274 L C -0.181 176.669 176.870 -0.033 0.000 1.143 274 L CA -1.774 53.068 54.840 0.003 0.000 0.809 274 L CB 0.900 42.960 42.059 0.001 0.000 1.124 274 L HN -0.113 nan 8.230 nan 0.000 0.456 275 P HA -0.207 nan 4.420 nan 0.000 0.220 275 P C 0.619 177.803 177.300 -0.192 0.000 1.144 275 P CA 1.288 64.303 63.100 -0.142 0.000 0.800 275 P CB -0.047 31.554 31.700 -0.164 0.000 0.772 276 D N -0.551 119.754 120.400 -0.158 0.000 2.363 276 D HA -0.132 4.508 4.640 -0.001 0.000 0.226 276 D C 1.252 177.424 176.300 -0.214 0.000 1.020 276 D CA 0.567 54.445 54.000 -0.204 0.000 0.892 276 D CB -0.403 40.319 40.800 -0.129 0.000 0.900 276 D HN 0.290 nan 8.370 nan 0.000 0.531 277 Q N -0.169 119.559 119.800 -0.121 0.000 2.179 277 Q HA 0.236 4.576 4.340 -0.001 0.000 0.213 277 Q C 0.026 176.053 176.000 0.044 0.000 0.833 277 Q CA -0.137 55.676 55.803 0.017 0.000 0.990 277 Q CB 1.155 29.944 28.738 0.084 0.000 1.132 277 Q HN 0.154 nan 8.270 nan 0.000 0.493 278 R N 0.124 120.533 120.500 -0.152 0.000 2.670 278 R HA 0.598 4.937 4.340 -0.001 0.000 0.289 278 R C -1.246 174.927 176.300 -0.212 0.000 0.965 278 R CA -0.448 55.641 56.100 -0.018 0.000 0.899 278 R CB 1.480 31.795 30.300 0.025 0.000 1.173 278 R HN -0.114 nan 8.270 nan 0.000 0.456 279 F N 0.634 120.618 119.950 0.057 0.000 2.588 279 F HA 0.415 4.941 4.527 -0.001 0.000 0.310 279 F C -0.028 175.630 175.800 -0.238 0.000 1.082 279 F CA -0.882 57.083 58.000 -0.057 0.000 0.929 279 F CB 2.034 40.890 39.000 -0.241 0.000 1.254 279 F HN 0.181 nan 8.300 nan 0.000 0.455 280 K N 1.861 122.122 120.400 -0.231 0.000 2.164 280 K HA 0.410 4.729 4.320 -0.001 0.000 0.258 280 K C -1.539 174.870 176.600 -0.319 0.000 0.951 280 K CA -0.591 55.407 56.287 -0.482 0.000 0.844 280 K CB 1.075 33.023 32.500 -0.919 0.000 1.099 280 K HN 0.675 nan 8.250 nan 0.000 0.435 281 W N 3.292 124.529 121.300 -0.105 0.000 2.303 281 W HA 0.233 4.893 4.660 -0.001 0.000 0.318 281 W C -0.424 176.137 176.519 0.071 0.000 1.362 281 W CA -0.732 56.614 57.345 0.001 0.000 1.234 281 W CB 0.957 30.451 29.460 0.057 0.000 1.248 281 W HN 0.067 nan 8.180 nan 0.000 0.546 282 V N 6.606 126.699 119.914 0.298 0.000 2.357 282 V HA 0.582 4.701 4.120 -0.001 0.000 0.284 282 V C -0.398 175.853 176.094 0.263 0.000 1.018 282 V CA -0.840 61.553 62.300 0.155 0.000 0.841 282 V CB 0.089 31.964 31.823 0.088 0.000 0.991 282 V HN 0.365 nan 8.190 nan 0.000 0.437 283 F N 1.392 121.406 119.950 0.106 0.000 2.719 283 F HA 0.634 5.160 4.527 -0.001 0.000 0.309 283 F C -0.993 174.983 175.800 0.294 0.000 1.138 283 F CA -1.240 56.901 58.000 0.235 0.000 0.943 283 F CB 1.135 40.243 39.000 0.181 0.000 1.304 283 F HN 0.282 nan 8.300 nan 0.000 0.445 284 D N 1.766 122.487 120.400 0.536 0.000 2.350 284 D HA 0.110 4.750 4.640 -0.001 0.000 0.249 284 D C -0.774 175.875 176.300 0.581 0.000 1.119 284 D CA 0.217 54.456 54.000 0.398 0.000 0.886 284 D CB 1.151 42.216 40.800 0.441 0.000 1.195 284 D HN 0.536 nan 8.370 nan 0.000 0.437 285 D N 1.745 122.320 120.400 0.291 0.000 2.383 285 D HA 0.084 4.723 4.640 -0.001 0.000 0.252 285 D C -0.759 175.700 176.300 0.264 0.000 1.166 285 D CA 0.047 54.257 54.000 0.350 0.000 0.879 285 D CB 0.539 41.434 40.800 0.159 0.000 1.164 285 D HN 0.222 nan 8.370 nan 0.000 0.462 286 W N 1.979 123.396 121.300 0.195 0.000 2.702 286 W HA 0.253 4.913 4.660 -0.001 0.000 0.331 286 W C 0.402 176.968 176.519 0.078 0.000 1.049 286 W CA -0.782 56.625 57.345 0.103 0.000 1.230 286 W CB 0.894 30.383 29.460 0.048 0.000 1.408 286 W HN 0.223 nan 8.180 nan 0.000 0.492 287 E N 1.085 121.424 120.200 0.232 0.000 2.413 287 E HA 0.082 4.431 4.350 -0.001 0.000 0.263 287 E C -0.227 176.460 176.600 0.145 0.000 1.015 287 E CA -0.187 56.304 56.400 0.151 0.000 0.916 287 E CB 0.737 30.496 29.700 0.098 0.000 0.947 287 E HN 0.126 nan 8.360 nan 0.000 0.440 288 V N 5.762 125.737 119.914 0.102 0.000 2.621 288 V HA -0.087 4.033 4.120 -0.001 0.000 0.300 288 V C -1.970 174.154 176.094 0.051 0.000 1.031 288 V CA -0.487 61.852 62.300 0.064 0.000 1.210 288 V CB -0.481 31.370 31.823 0.046 0.000 0.864 288 V HN 0.602 nan 8.190 nan 0.000 0.477 289 P HA 0.164 nan 4.420 nan 0.000 0.268 289 P C -0.138 177.176 177.300 0.024 0.000 1.205 289 P CA 0.106 63.216 63.100 0.017 0.000 0.771 289 P CB 0.346 32.028 31.700 -0.030 0.000 0.858 290 T N -0.278 114.291 114.554 0.026 0.000 2.823 290 T HA 0.752 5.101 4.350 -0.001 0.000 0.279 290 T C -0.433 174.274 174.700 0.012 0.000 0.998 290 T CA -0.964 61.152 62.100 0.026 0.000 0.994 290 T CB 1.470 70.349 68.868 0.018 0.000 0.960 290 T HN 0.325 nan 8.240 nan 0.000 0.448 291 A N 3.059 125.903 122.820 0.040 0.000 2.292 291 A HA 0.829 5.148 4.320 -0.001 0.000 0.319 291 A C 0.510 178.108 177.584 0.023 0.000 1.206 291 A CA -0.714 51.311 52.037 -0.020 0.000 0.835 291 A CB 0.547 19.529 19.000 -0.030 0.000 1.164 291 A HN 1.242 nan 8.150 nan 0.000 0.505 292 T N -1.420 113.039 114.554 -0.157 0.000 2.865 292 T HA 0.708 5.057 4.350 -0.001 0.000 0.294 292 T C -1.036 173.474 174.700 -0.317 0.000 1.119 292 T CA -0.664 61.374 62.100 -0.102 0.000 1.007 292 T CB 0.919 69.786 68.868 -0.001 0.000 1.225 292 T HN 0.602 nan 8.240 nan 0.000 0.515 293 W N 0.929 122.313 121.300 0.140 0.000 2.587 293 W HA 0.610 5.269 4.660 -0.001 0.000 0.324 293 W C -0.288 176.412 176.519 0.303 0.000 1.040 293 W CA -0.615 56.834 57.345 0.172 0.000 1.222 293 W CB 1.593 31.102 29.460 0.083 0.000 1.381 293 W HN 0.493 nan 8.180 nan 0.000 0.483 294 N N 3.558 122.584 118.700 0.544 0.000 2.372 294 N HA 0.303 5.042 4.740 -0.001 0.000 0.291 294 N C -0.628 175.099 175.510 0.360 0.000 1.024 294 N CA -0.813 52.481 53.050 0.407 0.000 0.873 294 N CB 1.818 40.425 38.487 0.200 0.000 1.206 294 N HN 0.500 nan 8.380 nan 0.000 0.486 295 M N 2.968 122.644 119.600 0.127 0.000 2.303 295 M HA 0.007 4.486 4.480 -0.001 0.000 0.350 295 M C 0.126 176.295 176.300 -0.219 0.000 1.518 295 M CA 0.099 55.128 55.300 -0.452 0.000 1.070 295 M CB 0.396 32.637 32.600 -0.599 0.000 1.910 295 M HN 0.288 nan 8.290 nan 0.000 0.458 296 V N 4.083 123.855 119.914 -0.236 0.000 3.125 296 V HA 0.413 4.533 4.120 -0.001 0.000 0.249 296 V C 0.960 176.975 176.094 -0.132 0.000 1.113 296 V CA 0.721 62.952 62.300 -0.115 0.000 1.106 296 V CB -0.169 31.621 31.823 -0.054 0.000 0.768 296 V HN 1.029 nan 8.190 nan 0.000 0.468 297 G N -1.430 107.246 108.800 -0.206 0.000 2.404 297 G HA2 0.438 4.398 3.960 -0.001 0.000 0.298 297 G HA3 0.438 4.398 3.960 -0.001 0.000 0.298 297 G C -1.725 173.074 174.900 -0.168 0.000 1.577 297 G CA -0.311 44.699 45.100 -0.150 0.000 0.847 297 G HN 0.038 nan 8.290 nan 0.000 0.598 298 c N 0.718 119.259 118.600 -0.099 0.000 2.547 298 c HA 0.813 5.382 4.570 -0.001 0.000 0.313 298 c C -1.038 173.062 174.090 0.016 0.000 1.191 298 c CA -0.744 55.563 56.329 -0.036 0.000 1.474 298 c CB 1.899 44.383 42.510 -0.044 0.000 2.081 298 c HN 0.774 nan 8.230 nan 0.000 0.476 299 D N 1.614 122.064 120.400 0.084 0.000 2.469 299 D HA 0.235 4.874 4.640 -0.001 0.000 0.251 299 D C 0.309 176.668 176.300 0.099 0.000 1.173 299 D CA -0.178 53.873 54.000 0.085 0.000 0.882 299 D CB 1.262 42.120 40.800 0.097 0.000 1.129 299 D HN 0.481 nan 8.370 nan 0.000 0.549 300 Q N 1.803 121.635 119.800 0.053 0.000 2.444 300 Q HA 0.043 4.382 4.340 -0.001 0.000 0.206 300 Q C 0.298 176.313 176.000 0.027 0.000 0.948 300 Q CA 0.390 56.215 55.803 0.036 0.000 0.946 300 Q CB -0.027 28.725 28.738 0.024 0.000 1.027 300 Q HN 0.513 nan 8.270 nan 0.000 0.513 301 N N -1.333 117.388 118.700 0.035 0.000 2.475 301 N HA 0.329 5.068 4.740 -0.001 0.000 0.272 301 N C 0.021 175.552 175.510 0.035 0.000 1.482 301 N CA 0.302 53.367 53.050 0.025 0.000 0.863 301 N CB 0.793 39.289 38.487 0.015 0.000 1.400 301 N HN 0.036 nan 8.380 nan 0.000 0.489 302 G N -0.272 108.568 108.800 0.067 0.000 2.323 302 G HA2 0.214 4.173 3.960 -0.001 0.000 0.291 302 G HA3 0.214 4.173 3.960 -0.001 0.000 0.291 302 G C -1.813 173.200 174.900 0.189 0.000 1.278 302 G CA -1.033 44.117 45.100 0.083 0.000 0.860 302 G HN 0.142 nan 8.290 nan 0.000 0.504 303 K N -0.383 120.090 120.400 0.122 0.000 2.326 303 K HA 0.462 4.782 4.320 -0.001 0.000 0.275 303 K C 0.078 176.632 176.600 -0.078 0.000 1.018 303 K CA -0.335 55.970 56.287 0.030 0.000 0.962 303 K CB 2.078 34.498 32.500 -0.134 0.000 0.953 303 K HN 0.518 nan 8.250 nan 0.000 0.475 304 V N 1.715 121.472 119.914 -0.262 0.000 2.509 304 V HA 0.347 4.467 4.120 -0.001 0.000 0.284 304 V C -0.695 175.239 176.094 -0.266 0.000 1.047 304 V CA 0.089 62.267 62.300 -0.203 0.000 0.952 304 V CB 1.513 33.252 31.823 -0.139 0.000 0.988 304 V HN 0.766 nan 8.190 nan 0.000 0.469 305 S N 5.162 120.765 115.700 -0.161 0.000 2.547 305 S HA 0.713 5.182 4.470 -0.001 0.000 0.281 305 S C -1.147 173.410 174.600 -0.072 0.000 1.118 305 S CA -0.598 57.516 58.200 -0.143 0.000 0.947 305 S CB 1.658 64.781 63.200 -0.128 0.000 1.053 305 S HN 0.908 nan 8.310 nan 0.000 0.482 306 Q N 1.826 121.607 119.800 -0.033 0.000 2.462 306 Q HA 0.345 4.685 4.340 -0.001 0.000 0.285 306 Q C -1.439 174.577 176.000 0.026 0.000 1.035 306 Q CA -0.752 55.049 55.803 -0.005 0.000 0.799 306 Q CB 1.990 30.725 28.738 -0.005 0.000 1.452 306 Q HN 0.689 nan 8.270 nan 0.000 0.404 307 Q N 1.463 121.275 119.800 0.020 0.000 2.295 307 Q HA 0.383 4.722 4.340 -0.001 0.000 0.259 307 Q C -0.472 175.547 176.000 0.031 0.000 0.976 307 Q CA -0.052 55.769 55.803 0.029 0.000 0.923 307 Q CB 0.818 29.567 28.738 0.019 0.000 1.185 307 Q HN 0.367 nan 8.270 nan 0.000 0.410 308 I N 2.163 122.756 120.570 0.039 0.000 2.389 308 I HA 0.282 4.452 4.170 -0.001 0.000 0.288 308 I C -0.030 176.099 176.117 0.021 0.000 0.999 308 I CA -0.318 60.998 61.300 0.025 0.000 1.129 308 I CB 1.624 39.632 38.000 0.013 0.000 1.288 308 I HN 0.347 nan 8.210 nan 0.000 0.444 309 S N 4.730 120.443 115.700 0.021 0.000 2.578 309 S HA 0.363 4.833 4.470 -0.001 0.000 0.301 309 S C -0.049 174.573 174.600 0.035 0.000 1.091 309 S CA -0.699 57.519 58.200 0.030 0.000 1.032 309 S CB 1.721 64.943 63.200 0.036 0.000 1.064 309 S HN 0.616 nan 8.310 nan 0.000 0.508 310 N N 2.018 120.753 118.700 0.058 0.000 2.415 310 N HA 0.323 5.062 4.740 -0.001 0.000 0.246 310 N C -0.559 175.033 175.510 0.137 0.000 1.078 310 N CA -0.101 53.016 53.050 0.112 0.000 0.942 310 N CB 0.384 38.957 38.487 0.144 0.000 1.140 310 N HN 0.655 nan 8.380 nan 0.000 0.501 311 T N 1.032 115.684 114.554 0.163 0.000 2.900 311 T HA 0.608 4.958 4.350 -0.001 0.000 0.295 311 T C -0.284 174.574 174.700 0.264 0.000 1.044 311 T CA -0.854 61.348 62.100 0.170 0.000 0.995 311 T CB 0.761 69.697 68.868 0.112 0.000 1.072 311 T HN 0.252 nan 8.240 nan 0.000 0.473 312 I N 2.462 123.178 120.570 0.242 0.000 2.465 312 I HA 0.400 4.570 4.170 -0.001 0.000 0.291 312 I C -0.037 176.222 176.117 0.237 0.000 1.014 312 I CA -1.003 60.470 61.300 0.288 0.000 1.093 312 I CB 2.407 40.578 38.000 0.285 0.000 1.267 312 I HN 0.839 nan 8.210 nan 0.000 0.431 313 S N 6.014 121.858 115.700 0.240 0.000 2.438 313 S HA 0.707 5.177 4.470 -0.001 0.000 0.293 313 S C -0.773 174.041 174.600 0.357 0.000 1.141 313 S CA -0.586 57.755 58.200 0.235 0.000 1.080 313 S CB 1.095 64.399 63.200 0.173 0.000 0.978 313 S HN 0.427 nan 8.310 nan 0.000 0.479 314 F N 1.859 121.882 119.950 0.121 0.000 2.650 314 F HA 0.479 5.006 4.527 -0.001 0.000 0.310 314 F C 0.991 176.846 175.800 0.092 0.000 1.112 314 F CA -1.202 56.873 58.000 0.125 0.000 0.986 314 F CB 1.811 40.908 39.000 0.163 0.000 1.285 314 F HN 0.568 nan 8.300 nan 0.000 0.440 315 S N 2.002 117.427 115.700 -0.459 0.000 2.419 315 S HA 0.033 4.503 4.470 -0.001 0.000 0.233 315 S C 0.458 174.838 174.600 -0.367 0.000 1.016 315 S CA 1.514 59.490 58.200 -0.372 0.000 0.974 315 S CB -0.208 62.765 63.200 -0.379 0.000 0.786 315 S HN 0.528 nan 8.310 nan 0.000 0.492 316 S N 0.139 115.464 115.700 -0.625 0.000 2.745 316 S HA 0.505 4.975 4.470 -0.001 0.000 0.306 316 S C -0.721 173.914 174.600 0.058 0.000 1.137 316 S CA -0.805 57.232 58.200 -0.271 0.000 0.900 316 S CB 1.444 64.461 63.200 -0.305 0.000 1.176 316 S HN 0.372 nan 8.310 nan 0.000 0.520 317 T N 1.963 116.580 114.554 0.106 0.000 2.867 317 T HA 0.166 4.516 4.350 -0.001 0.000 0.297 317 T C 0.118 174.980 174.700 0.269 0.000 0.989 317 T CA -0.239 61.954 62.100 0.155 0.000 1.159 317 T CB 0.020 68.945 68.868 0.094 0.000 0.928 317 T HN 0.360 nan 8.240 nan 0.000 0.538 318 V N 5.841 125.900 119.914 0.241 0.000 2.242 318 V HA 0.102 4.221 4.120 -0.001 0.000 0.242 318 V C 1.451 177.588 176.094 0.071 0.000 1.240 318 V CA -0.515 61.894 62.300 0.181 0.000 1.211 318 V CB -1.487 30.401 31.823 0.108 0.000 1.338 318 V HN 1.120 nan 8.190 nan 0.000 0.499 319 T N 1.389 115.995 114.554 0.087 0.000 2.698 319 T HA 0.433 4.782 4.350 -0.001 0.000 0.295 319 T C 1.598 176.280 174.700 -0.030 0.000 1.007 319 T CA 0.059 62.176 62.100 0.028 0.000 0.980 319 T CB 1.287 70.184 68.868 0.050 0.000 1.036 319 T HN 0.476 nan 8.240 nan 0.000 0.526 320 A N 0.549 123.336 122.820 -0.055 0.000 1.902 320 A HA 0.133 4.452 4.320 -0.001 0.000 0.217 320 A C 2.511 180.012 177.584 -0.139 0.000 1.181 320 A CA 1.823 53.798 52.037 -0.103 0.000 0.623 320 A CB -1.750 17.195 19.000 -0.091 0.000 0.818 320 A HN 1.071 nan 8.150 nan 0.000 0.443 321 G N -0.621 108.120 108.800 -0.100 0.000 2.418 321 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.217 321 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.217 321 G C 1.498 176.294 174.900 -0.174 0.000 1.158 321 G CA 1.250 46.264 45.100 -0.143 0.000 0.771 321 G HN 0.327 nan 8.290 nan 0.000 0.545 322 V N 1.540 121.424 119.914 -0.051 0.000 2.358 322 V HA -0.107 4.012 4.120 -0.001 0.000 0.246 322 V C 3.322 179.305 176.094 -0.185 0.000 1.047 322 V CA 1.914 64.190 62.300 -0.040 0.000 1.035 322 V CB -0.875 31.019 31.823 0.118 0.000 0.658 322 V HN 0.477 nan 8.190 nan 0.000 0.452 323 A N -0.366 122.411 122.820 -0.071 0.000 1.865 323 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 323 A C 2.475 180.046 177.584 -0.022 0.000 1.191 323 A CA 2.299 54.393 52.037 0.095 0.000 0.623 323 A CB -0.911 18.020 19.000 -0.116 0.000 0.826 323 A HN 0.330 nan 8.150 nan 0.000 0.444 324 V N -0.058 119.673 119.914 -0.306 0.000 2.515 324 V HA -0.175 3.944 4.120 -0.001 0.000 0.250 324 V C 2.425 178.092 176.094 -0.712 0.000 1.058 324 V CA 2.336 64.317 62.300 -0.532 0.000 1.064 324 V CB -0.538 30.802 31.823 -0.805 0.000 0.675 324 V HN 0.573 nan 8.190 nan 0.000 0.461 325 E N -0.275 119.485 120.200 -0.734 0.000 2.047 325 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 325 E C 2.239 178.367 176.600 -0.785 0.000 0.987 325 E CA 1.615 57.655 56.400 -0.600 0.000 0.799 325 E CB -0.270 29.196 29.700 -0.389 0.000 0.752 325 E HN 0.533 nan 8.360 nan 0.000 0.449 326 V N 0.958 120.282 119.914 -0.984 0.000 2.295 326 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 326 V C 2.574 178.077 176.094 -0.984 0.000 1.049 326 V CA 1.865 63.417 62.300 -1.247 0.000 1.024 326 V CB -0.576 30.256 31.823 -1.651 0.000 0.648 326 V HN 0.232 nan 8.190 nan 0.000 0.447 327 S N -0.110 115.164 115.700 -0.709 0.000 2.359 327 S HA -0.233 4.237 4.470 -0.001 0.000 0.224 327 S C 2.245 176.606 174.600 -0.398 0.000 1.035 327 S CA 2.244 60.210 58.200 -0.391 0.000 1.018 327 S CB -0.343 62.813 63.200 -0.073 0.000 0.876 327 S HN 0.654 nan 8.310 nan 0.000 0.448 328 S N 0.597 116.013 115.700 -0.473 0.000 2.368 328 S HA -0.095 4.374 4.470 -0.001 0.000 0.225 328 S C 2.018 176.076 174.600 -0.904 0.000 1.030 328 S CA 1.769 59.558 58.200 -0.685 0.000 0.999 328 S CB -0.924 61.813 63.200 -0.773 0.000 0.844 328 S HN 0.694 nan 8.310 nan 0.000 0.459 329 T N 2.680 116.787 114.554 -0.746 0.000 2.737 329 T HA 0.056 4.405 4.350 -0.001 0.000 0.265 329 T C 1.787 176.298 174.700 -0.315 0.000 1.038 329 T CA 1.050 62.880 62.100 -0.451 0.000 1.144 329 T CB -0.449 68.226 68.868 -0.322 0.000 0.866 329 T HN 0.283 nan 8.240 nan 0.000 0.434 330 I N 0.960 121.313 120.570 -0.363 0.000 2.151 330 I HA -0.211 3.958 4.170 -0.001 0.000 0.243 330 I C 2.781 178.794 176.117 -0.173 0.000 1.080 330 I CA 1.511 62.666 61.300 -0.241 0.000 1.339 330 I CB -0.333 37.510 38.000 -0.262 0.000 1.039 330 I HN 0.326 nan 8.210 nan 0.000 0.409 331 E N 0.843 120.921 120.200 -0.203 0.000 2.150 331 E HA -0.286 4.063 4.350 -0.001 0.000 0.193 331 E C 2.091 178.622 176.600 -0.115 0.000 0.985 331 E CA 1.081 57.404 56.400 -0.129 0.000 0.814 331 E CB 0.112 29.756 29.700 -0.093 0.000 0.752 331 E HN 0.240 nan 8.360 nan 0.000 0.466 332 K N -0.417 119.891 120.400 -0.152 0.000 2.147 332 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 332 K C 0.208 176.763 176.600 -0.076 0.000 1.049 332 K CA 1.236 57.460 56.287 -0.106 0.000 0.936 332 K CB 0.300 32.780 32.500 -0.034 0.000 0.722 332 K HN 0.172 nan 8.250 nan 0.000 0.446 333 G N -1.458 107.304 108.800 -0.063 0.000 2.404 333 G HA2 0.402 4.362 3.960 -0.001 0.000 0.298 333 G HA3 0.402 4.362 3.960 -0.001 0.000 0.298 333 G C -1.985 172.903 174.900 -0.020 0.000 1.577 333 G CA -0.730 44.350 45.100 -0.034 0.000 0.847 333 G HN -0.022 nan 8.290 nan 0.000 0.598 334 V N 1.946 121.862 119.914 0.003 0.000 2.925 334 V HA 0.614 4.734 4.120 -0.001 0.000 0.311 334 V C -0.510 175.615 176.094 0.053 0.000 1.104 334 V CA -0.984 61.329 62.300 0.022 0.000 0.954 334 V CB 2.115 33.952 31.823 0.024 0.000 1.022 334 V HN 0.724 nan 8.190 nan 0.000 0.427 335 I N 3.536 124.143 120.570 0.061 0.000 2.377 335 I HA 0.487 4.657 4.170 -0.001 0.000 0.293 335 I C -0.894 175.310 176.117 0.145 0.000 0.987 335 I CA -0.186 61.161 61.300 0.078 0.000 1.185 335 I CB 1.311 39.334 38.000 0.038 0.000 1.341 335 I HN 0.622 nan 8.210 nan 0.000 0.455 336 F N 5.282 125.232 119.950 0.001 0.000 2.557 336 F HA 0.627 5.153 4.527 -0.001 0.000 0.316 336 F C 0.580 176.392 175.800 0.021 0.000 1.141 336 F CA -0.588 57.413 58.000 0.003 0.000 0.922 336 F CB 1.666 40.677 39.000 0.017 0.000 1.194 336 F HN 0.681 nan 8.300 nan 0.000 0.443 337 A N 4.847 127.149 122.820 -0.863 0.000 2.640 337 A HA -0.272 4.048 4.320 -0.001 0.000 0.300 337 A C 0.928 178.380 177.584 -0.219 0.000 1.499 337 A CA 1.506 53.193 52.037 -0.582 0.000 0.759 337 A CB -2.237 16.367 19.000 -0.660 0.000 1.048 337 A HN 1.069 nan 8.150 nan 0.000 0.450 338 K N -4.347 115.968 120.400 -0.142 0.000 3.274 338 K HA -0.203 4.116 4.320 -0.001 0.000 0.300 338 K C 0.321 176.911 176.600 -0.017 0.000 1.230 338 K CA 1.288 57.540 56.287 -0.059 0.000 0.884 338 K CB -2.440 30.028 32.500 -0.054 0.000 1.242 338 K HN 2.213 nan 8.250 nan 0.000 0.467 339 A N 0.718 123.543 122.820 0.008 0.000 2.423 339 A HA 0.647 4.967 4.320 -0.001 0.000 0.304 339 A C 0.332 177.960 177.584 0.073 0.000 1.104 339 A CA -0.191 51.873 52.037 0.044 0.000 0.757 339 A CB 1.089 20.125 19.000 0.060 0.000 1.313 339 A HN 0.217 nan 8.150 nan 0.000 0.423 340 T N -0.731 113.859 114.554 0.059 0.000 2.860 340 T HA 0.495 4.844 4.350 -0.001 0.000 0.299 340 T C 0.541 175.290 174.700 0.082 0.000 1.045 340 T CA 0.181 62.317 62.100 0.059 0.000 1.071 340 T CB 0.500 69.388 68.868 0.034 0.000 0.985 340 T HN 1.791 nan 8.240 nan 0.000 0.537 341 V N -0.746 119.212 119.914 0.073 0.000 3.093 341 V HA 0.797 4.917 4.120 -0.001 0.000 0.320 341 V C 0.501 176.619 176.094 0.041 0.000 1.093 341 V CA -0.853 61.490 62.300 0.071 0.000 1.016 341 V CB 1.153 33.019 31.823 0.072 0.000 1.096 341 V HN 1.275 nan 8.190 nan 0.000 0.452 342 S N 0.730 116.453 115.700 0.038 0.000 2.589 342 S HA 0.211 4.680 4.470 -0.001 0.000 0.265 342 S C 1.044 175.647 174.600 0.005 0.000 1.342 342 S CA 0.155 58.368 58.200 0.023 0.000 1.005 342 S CB 1.100 64.317 63.200 0.029 0.000 0.909 342 S HN 0.961 nan 8.310 nan 0.000 0.555 343 V N 2.348 122.261 119.914 -0.001 0.000 2.332 343 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 343 V C 2.648 178.725 176.094 -0.028 0.000 1.055 343 V CA 2.495 64.788 62.300 -0.011 0.000 1.038 343 V CB -1.330 30.490 31.823 -0.004 0.000 0.651 343 V HN 1.079 nan 8.190 nan 0.000 0.450 344 K N 0.210 120.595 120.400 -0.024 0.000 2.097 344 K HA -0.102 4.218 4.320 -0.001 0.000 0.205 344 K C 1.808 178.340 176.600 -0.115 0.000 1.050 344 K CA 1.795 58.050 56.287 -0.053 0.000 0.938 344 K CB -0.730 31.761 32.500 -0.016 0.000 0.718 344 K HN 0.259 nan 8.250 nan 0.000 0.442 345 V N 2.303 122.180 119.914 -0.060 0.000 2.295 345 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 345 V C 2.655 178.666 176.094 -0.138 0.000 1.049 345 V CA 2.317 64.578 62.300 -0.065 0.000 1.024 345 V CB -0.987 30.866 31.823 0.049 0.000 0.648 345 V HN 0.749 nan 8.190 nan 0.000 0.447 346 T N -1.044 113.460 114.554 -0.082 0.000 2.857 346 T HA -0.054 4.295 4.350 -0.001 0.000 0.266 346 T C 1.972 176.603 174.700 -0.114 0.000 1.048 346 T CA 1.288 63.340 62.100 -0.080 0.000 1.139 346 T CB -0.451 68.387 68.868 -0.051 0.000 0.874 346 T HN 0.451 nan 8.240 nan 0.000 0.455 347 A N 2.062 124.813 122.820 -0.116 0.000 1.858 347 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 347 A C 2.730 180.186 177.584 -0.213 0.000 1.190 347 A CA 2.116 54.084 52.037 -0.115 0.000 0.617 347 A CB -1.249 17.698 19.000 -0.090 0.000 0.827 347 A HN 0.519 nan 8.150 nan 0.000 0.443 348 S N -0.305 115.157 115.700 -0.397 0.000 2.370 348 S HA -0.100 4.369 4.470 -0.001 0.000 0.226 348 S C 1.883 176.063 174.600 -0.700 0.000 1.033 348 S CA 1.262 59.037 58.200 -0.709 0.000 1.011 348 S CB -0.423 61.965 63.200 -1.352 0.000 0.852 348 S HN 0.464 nan 8.310 nan 0.000 0.457 349 L N 1.775 122.651 121.223 -0.579 0.000 2.046 349 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 349 L C 2.690 179.637 176.870 0.130 0.000 1.077 349 L CA 1.921 56.759 54.840 -0.003 0.000 0.747 349 L CB -0.938 41.196 42.059 0.125 0.000 0.896 349 L HN 0.497 nan 8.230 nan 0.000 0.432 350 S N -0.686 115.007 115.700 -0.011 0.000 2.382 350 S HA -0.242 4.228 4.470 -0.001 0.000 0.228 350 S C 1.903 176.526 174.600 0.038 0.000 1.027 350 S CA 1.074 59.271 58.200 -0.005 0.000 0.991 350 S CB -0.284 62.874 63.200 -0.071 0.000 0.823 350 S HN 0.377 nan 8.310 nan 0.000 0.469 351 K N 1.666 122.060 120.400 -0.009 0.000 2.057 351 K HA 0.089 4.409 4.320 -0.001 0.000 0.207 351 K C 2.573 179.196 176.600 0.040 0.000 1.049 351 K CA 1.210 57.492 56.287 -0.009 0.000 0.931 351 K CB -0.588 31.883 32.500 -0.048 0.000 0.714 351 K HN 0.497 nan 8.250 nan 0.000 0.440 352 A N 1.569 124.476 122.820 0.145 0.000 1.902 352 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 352 A C 1.936 179.650 177.584 0.217 0.000 1.181 352 A CA 1.276 53.487 52.037 0.290 0.000 0.623 352 A CB -0.990 18.348 19.000 0.562 0.000 0.818 352 A HN 0.661 nan 8.150 nan 0.000 0.443 353 W N 1.219 122.430 121.300 -0.148 0.000 2.333 353 W HA -0.201 4.459 4.660 -0.001 0.000 0.316 353 W C 1.710 177.950 176.519 -0.466 0.000 1.215 353 W CA 2.478 59.352 57.345 -0.785 0.000 1.278 353 W CB -0.936 27.953 29.460 -0.952 0.000 1.154 353 W HN 0.352 nan 8.180 nan 0.000 0.486 354 T N 1.540 115.895 114.554 -0.331 0.000 2.720 354 T HA -0.239 4.110 4.350 -0.001 0.000 0.268 354 T C 1.620 176.114 174.700 -0.343 0.000 1.037 354 T CA 1.709 63.583 62.100 -0.376 0.000 1.144 354 T CB -0.594 68.185 68.868 -0.147 0.000 0.864 354 T HN 0.254 nan 8.240 nan 0.000 0.444 355 N N 0.697 119.273 118.700 -0.206 0.000 2.309 355 N HA -0.011 4.728 4.740 -0.001 0.000 0.182 355 N C 1.916 177.323 175.510 -0.173 0.000 1.018 355 N CA 0.652 53.615 53.050 -0.146 0.000 0.876 355 N CB -0.080 38.375 38.487 -0.054 0.000 0.972 355 N HN 0.248 nan 8.380 nan 0.000 0.434 356 S N 1.008 116.571 115.700 -0.229 0.000 2.442 356 S HA -0.055 4.415 4.470 -0.001 0.000 0.236 356 S C 1.763 176.164 174.600 -0.333 0.000 1.007 356 S CA 0.733 58.803 58.200 -0.218 0.000 0.965 356 S CB 0.028 63.102 63.200 -0.209 0.000 0.773 356 S HN 0.313 nan 8.310 nan 0.000 0.504 357 Q N 0.998 120.518 119.800 -0.467 0.000 2.124 357 Q HA 0.062 4.402 4.340 -0.001 0.000 0.202 357 Q C 1.192 177.031 176.000 -0.268 0.000 0.977 357 Q CA 0.713 56.237 55.803 -0.464 0.000 0.850 357 Q CB -0.530 27.900 28.738 -0.513 0.000 0.901 357 Q HN 0.421 nan 8.270 nan 0.000 0.429 358 S N -0.096 115.483 115.700 -0.202 0.000 2.420 358 S HA 0.520 4.989 4.470 -0.001 0.000 0.313 358 S C -0.280 174.259 174.600 -0.101 0.000 1.079 358 S CA 0.303 58.422 58.200 -0.134 0.000 1.104 358 S CB 0.290 63.423 63.200 -0.112 0.000 0.969 358 S HN 0.517 nan 8.310 nan 0.000 0.471 359 G N 3.985 112.737 108.800 -0.080 0.000 3.284 359 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.665 359 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.665 359 G C 0.394 175.271 174.900 -0.038 0.000 0.894 359 G CA 0.126 45.196 45.100 -0.051 0.000 0.838 359 G HN 1.317 nan 8.290 nan 0.000 0.501 360 T N -1.731 112.812 114.554 -0.018 0.000 3.250 360 T HA 0.527 4.877 4.350 -0.001 0.000 0.265 360 T C 1.432 176.136 174.700 0.008 0.000 0.973 360 T CA 1.205 63.306 62.100 0.000 0.000 1.040 360 T CB -0.075 68.805 68.868 0.020 0.000 1.167 360 T HN 2.937 nan 8.240 nan 0.000 0.471 361 T N 1.695 116.254 114.554 0.008 0.000 0.543 361 T HA 0.063 4.413 4.350 -0.001 0.000 0.774 361 T C 0.238 174.950 174.700 0.020 0.000 0.992 361 T CA -0.262 61.846 62.100 0.012 0.000 4.076 361 T CB -1.740 67.133 68.868 0.008 0.000 2.302 361 T HN 1.726 nan 8.240 nan 0.000 0.398 362 A N 4.184 127.017 122.820 0.022 0.000 2.547 362 A HA 0.583 4.903 4.320 -0.001 0.000 0.233 362 A C 1.024 178.626 177.584 0.031 0.000 1.067 362 A CA 0.130 52.182 52.037 0.026 0.000 0.763 362 A CB -0.204 18.811 19.000 0.025 0.000 1.007 362 A HN 2.106 nan 8.150 nan 0.000 0.506 363 I N -2.254 118.339 120.570 0.038 0.000 2.934 363 I HA 0.680 4.849 4.170 -0.001 0.000 0.306 363 I C -0.415 175.742 176.117 0.066 0.000 1.110 363 I CA -0.636 60.696 61.300 0.054 0.000 1.019 363 I CB 2.472 40.511 38.000 0.064 0.000 1.227 363 I HN 0.362 nan 8.210 nan 0.000 0.434 364 T N 3.527 118.123 114.554 0.071 0.000 2.749 364 T HA 0.383 4.732 4.350 -0.001 0.000 0.287 364 T C -1.215 173.551 174.700 0.109 0.000 0.970 364 T CA -0.045 62.096 62.100 0.068 0.000 0.980 364 T CB 0.305 69.193 68.868 0.033 0.000 0.924 364 T HN 0.501 nan 8.240 nan 0.000 0.456 365 Y N 2.465 122.744 120.300 -0.033 0.000 2.393 365 Y HA 0.559 5.108 4.550 -0.001 0.000 0.341 365 Y C -0.243 175.602 175.900 -0.092 0.000 0.988 365 Y CA -0.667 57.401 58.100 -0.054 0.000 1.078 365 Y CB 1.539 39.966 38.460 -0.054 0.000 1.203 365 Y HN 0.521 nan 8.280 nan 0.000 0.453 366 T N 5.135 119.170 114.554 -0.866 0.000 2.829 366 T HA 0.259 4.609 4.350 -0.001 0.000 0.280 366 T C -1.042 173.004 174.700 -1.090 0.000 0.999 366 T CA -0.458 61.193 62.100 -0.748 0.000 0.983 366 T CB 0.470 69.075 68.868 -0.438 0.000 0.968 366 T HN 0.732 nan 8.240 nan 0.000 0.446 367 c N 3.859 121.957 118.600 -0.836 0.000 2.459 367 c HA 0.147 4.716 4.570 -0.001 0.000 0.358 367 c C 1.557 175.229 174.090 -0.697 0.000 1.162 367 c CA -0.605 55.220 56.329 -0.840 0.000 1.559 367 c CB -1.465 40.266 42.510 -1.299 0.000 2.132 367 c HN 0.862 nan 8.230 nan 0.000 0.536 368 D N 1.749 121.883 120.400 -0.443 0.000 2.162 368 D HA 0.006 4.645 4.640 -0.001 0.000 0.205 368 D C 0.401 176.614 176.300 -0.147 0.000 0.964 368 D CA 1.267 55.109 54.000 -0.264 0.000 0.847 368 D CB 0.280 40.937 40.800 -0.238 0.000 0.988 368 D HN 0.623 nan 8.370 nan 0.000 0.480 369 N N -1.251 117.382 118.700 -0.111 0.000 2.265 369 N HA 0.253 4.993 4.740 -0.001 0.000 0.300 369 N C -0.930 174.613 175.510 0.056 0.000 1.148 369 N CA -0.644 52.381 53.050 -0.041 0.000 0.772 369 N CB 1.494 39.978 38.487 -0.005 0.000 1.434 369 N HN -0.098 nan 8.380 nan 0.000 0.481 370 Y N 0.024 120.453 120.300 0.214 0.000 2.511 370 Y HA -0.087 4.463 4.550 -0.001 0.000 0.347 370 Y C 1.454 177.400 175.900 0.077 0.000 1.257 370 Y CA 0.195 58.404 58.100 0.181 0.000 1.469 370 Y CB 0.473 38.970 38.460 0.061 0.000 1.353 370 Y HN 0.686 nan 8.280 nan 0.000 0.617 371 D N 0.078 120.608 120.400 0.217 0.000 2.182 371 D HA -0.187 4.453 4.640 -0.001 0.000 0.201 371 D C 1.893 178.209 176.300 0.028 0.000 0.986 371 D CA 1.812 55.850 54.000 0.063 0.000 0.847 371 D CB 0.000 40.781 40.800 -0.032 0.000 0.942 371 D HN 0.521 nan 8.370 nan 0.000 0.467 372 S N -1.334 114.387 115.700 0.035 0.000 2.555 372 S HA -0.033 4.437 4.470 -0.001 0.000 0.230 372 S C 0.467 175.086 174.600 0.032 0.000 0.978 372 S CA 0.871 59.065 58.200 -0.011 0.000 0.934 372 S CB 0.266 63.427 63.200 -0.066 0.000 0.766 372 S HN 0.243 nan 8.310 nan 0.000 0.533 373 D N -0.838 119.615 120.400 0.087 0.000 1.946 373 D HA -0.107 4.533 4.640 -0.001 0.000 0.180 373 D C -0.379 175.974 176.300 0.088 0.000 0.971 373 D CA 1.164 55.205 54.000 0.069 0.000 1.012 373 D CB -1.482 39.337 40.800 0.033 0.000 1.219 373 D HN 0.485 nan 8.370 nan 0.000 0.592 374 E N 1.304 121.595 120.200 0.151 0.000 2.425 374 E HA 0.306 4.655 4.350 -0.001 0.000 0.258 374 E C 0.311 176.980 176.600 0.116 0.000 1.151 374 E CA 0.023 56.520 56.400 0.162 0.000 0.958 374 E CB 0.425 30.261 29.700 0.227 0.000 0.968 374 E HN 0.044 nan 8.360 nan 0.000 0.451 375 E N 0.922 121.148 120.200 0.043 0.000 2.480 375 E HA -0.022 4.327 4.350 -0.001 0.000 0.258 375 E C -1.233 175.222 176.600 -0.241 0.000 0.984 375 E CA 0.219 56.587 56.400 -0.053 0.000 0.930 375 E CB 0.069 29.753 29.700 -0.027 0.000 0.936 375 E HN 0.368 nan 8.360 nan 0.000 0.466 376 F N 4.300 123.923 119.950 -0.545 0.000 2.466 376 F HA 0.119 4.645 4.527 -0.001 0.000 0.363 376 F C 1.257 176.817 175.800 -0.401 0.000 1.109 376 F CA 0.418 57.888 58.000 -0.884 0.000 1.161 376 F CB 0.613 39.197 39.000 -0.692 0.000 1.117 376 F HN 0.576 nan 8.300 nan 0.000 0.539 377 T N 2.441 116.744 114.554 -0.420 0.000 2.985 377 T HA 0.289 4.638 4.350 -0.001 0.000 0.254 377 T C 0.124 174.752 174.700 -0.121 0.000 1.021 377 T CA -0.227 61.798 62.100 -0.125 0.000 0.957 377 T CB 0.046 68.883 68.868 -0.051 0.000 1.047 377 T HN 0.707 nan 8.240 nan 0.000 0.511 378 R N -1.314 118.948 120.500 -0.398 0.000 3.062 378 R HA 0.593 4.932 4.340 -0.001 0.000 0.279 378 R C -0.338 175.690 176.300 -0.454 0.000 1.003 378 R CA -0.635 55.339 56.100 -0.209 0.000 0.872 378 R CB 0.244 30.507 30.300 -0.062 0.000 1.280 378 R HN 0.497 nan 8.270 nan 0.000 0.516 379 G N -0.037 108.754 108.800 -0.014 0.000 2.291 379 G HA2 0.273 4.232 3.960 -0.001 0.000 0.249 379 G HA3 0.273 4.232 3.960 -0.001 0.000 0.249 379 G C -1.518 173.595 174.900 0.355 0.000 1.340 379 G CA -0.289 44.903 45.100 0.152 0.000 1.017 379 G HN 0.823 nan 8.290 nan 0.000 0.470 380 c N -0.080 118.741 118.600 0.368 0.000 2.634 380 c HA 0.846 5.415 4.570 -0.001 0.000 0.313 380 c C 0.341 174.428 174.090 -0.005 0.000 1.198 380 c CA -0.421 55.939 56.329 0.051 0.000 1.605 380 c CB 1.251 43.606 42.510 -0.259 0.000 2.196 380 c HN 0.897 nan 8.230 nan 0.000 0.486 381 M N 2.124 121.581 119.600 -0.238 0.000 2.238 381 M HA 0.508 4.987 4.480 -0.001 0.000 0.350 381 M C -1.901 174.215 176.300 -0.307 0.000 1.138 381 M CA 0.059 55.270 55.300 -0.148 0.000 1.040 381 M CB 0.768 33.318 32.600 -0.083 0.000 1.639 381 M HN 0.796 nan 8.290 nan 0.000 0.451 382 W N 3.715 125.037 121.300 0.036 0.000 2.656 382 W HA 0.474 5.133 4.660 -0.001 0.000 0.327 382 W C -0.696 175.949 176.519 0.209 0.000 1.041 382 W CA -0.438 56.965 57.345 0.097 0.000 1.229 382 W CB 1.332 30.784 29.460 -0.013 0.000 1.397 382 W HN 0.501 nan 8.180 nan 0.000 0.479 383 Q N 2.903 122.990 119.800 0.478 0.000 2.316 383 Q HA 0.473 4.812 4.340 -0.001 0.000 0.264 383 Q C -0.814 175.370 176.000 0.307 0.000 0.987 383 Q CA -1.107 54.901 55.803 0.342 0.000 0.852 383 Q CB 1.832 30.644 28.738 0.124 0.000 1.287 383 Q HN 0.594 nan 8.270 nan 0.000 0.448 384 L N 2.949 124.189 121.223 0.029 0.000 2.483 384 L HA 0.396 4.735 4.340 -0.001 0.000 0.276 384 L C -1.069 175.575 176.870 -0.377 0.000 1.213 384 L CA 0.820 55.318 54.840 -0.572 0.000 0.843 384 L CB 0.820 42.406 42.059 -0.788 0.000 1.107 384 L HN 0.721 nan 8.230 nan 0.000 0.487 385 A N 5.980 128.572 122.820 -0.379 0.000 2.371 385 A HA 0.755 5.074 4.320 -0.001 0.000 0.311 385 A C -1.209 176.240 177.584 -0.225 0.000 1.068 385 A CA -0.598 51.297 52.037 -0.237 0.000 0.744 385 A CB 0.986 19.932 19.000 -0.090 0.000 1.239 385 A HN 0.495 nan 8.150 nan 0.000 0.435 386 I N 1.689 122.177 120.570 -0.137 0.000 2.406 386 I HA 0.455 4.624 4.170 -0.001 0.000 0.290 386 I C -0.027 176.120 176.117 0.051 0.000 0.999 386 I CA -0.217 61.069 61.300 -0.025 0.000 1.124 386 I CB 1.385 39.445 38.000 0.099 0.000 1.289 386 I HN 0.901 nan 8.210 nan 0.000 0.441 387 E N 4.062 124.284 120.200 0.036 0.000 2.210 387 E HA 0.629 4.979 4.350 -0.001 0.000 0.266 387 E C -1.239 175.401 176.600 0.067 0.000 0.883 387 E CA -0.296 56.142 56.400 0.063 0.000 0.761 387 E CB 2.210 31.943 29.700 0.055 0.000 1.156 387 E HN 0.639 nan 8.360 nan 0.000 0.412 388 T N 1.691 116.307 114.554 0.104 0.000 2.841 388 T HA 0.535 4.885 4.350 -0.001 0.000 0.296 388 T C -1.373 173.455 174.700 0.215 0.000 1.166 388 T CA -0.378 61.818 62.100 0.160 0.000 1.007 388 T CB 1.957 70.933 68.868 0.181 0.000 1.253 388 T HN 0.363 nan 8.240 nan 0.000 0.511 389 T N 2.151 116.818 114.554 0.189 0.000 2.879 389 T HA 0.382 4.731 4.350 -0.001 0.000 0.290 389 T C -0.878 173.674 174.700 -0.246 0.000 0.993 389 T CA -0.594 61.525 62.100 0.032 0.000 0.975 389 T CB 1.560 70.434 68.868 0.011 0.000 0.981 389 T HN 0.667 nan 8.240 nan 0.000 0.439 390 E N 2.865 122.602 120.200 -0.771 0.000 2.328 390 E HA 0.113 4.463 4.350 -0.001 0.000 0.265 390 E C 0.841 177.126 176.600 -0.525 0.000 1.057 390 E CA -0.235 55.399 56.400 -1.276 0.000 0.916 390 E CB 0.561 29.452 29.700 -1.348 0.000 0.993 390 E HN 0.389 nan 8.360 nan 0.000 0.446 391 V N 5.784 125.464 119.914 -0.390 0.000 2.358 391 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 391 V C 2.205 178.220 176.094 -0.132 0.000 1.047 391 V CA 2.396 64.595 62.300 -0.169 0.000 1.035 391 V CB -0.564 31.215 31.823 -0.073 0.000 0.658 391 V HN 0.725 nan 8.190 nan 0.000 0.452 392 K N 1.501 121.816 120.400 -0.141 0.000 2.283 392 K HA -0.101 4.218 4.320 -0.001 0.000 0.202 392 K C 1.917 178.470 176.600 -0.079 0.000 1.048 392 K CA 1.733 57.969 56.287 -0.084 0.000 0.948 392 K CB -0.304 32.163 32.500 -0.056 0.000 0.742 392 K HN 0.570 nan 8.250 nan 0.000 0.458 393 S N -1.199 114.434 115.700 -0.112 0.000 2.539 393 S HA 0.291 4.760 4.470 -0.001 0.000 0.226 393 S C 1.557 176.108 174.600 -0.082 0.000 1.054 393 S CA 0.074 58.222 58.200 -0.087 0.000 0.910 393 S CB 0.425 63.572 63.200 -0.089 0.000 0.818 393 S HN 0.568 nan 8.310 nan 0.000 0.490 394 G N 1.513 110.252 108.800 -0.101 0.000 2.157 394 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.248 394 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.248 394 G C -0.663 174.208 174.900 -0.050 0.000 0.979 394 G CA 0.031 45.089 45.100 -0.069 0.000 0.650 394 G HN 0.528 nan 8.290 nan 0.000 0.529 395 D N 0.387 120.749 120.400 -0.063 0.000 2.382 395 D HA 0.378 5.018 4.640 -0.001 0.000 0.259 395 D C 0.655 177.046 176.300 0.152 0.000 1.224 395 D CA -0.074 53.933 54.000 0.011 0.000 0.894 395 D CB 1.267 42.049 40.800 -0.030 0.000 1.127 395 D HN 0.340 nan 8.370 nan 0.000 0.487 396 L N 3.555 124.882 121.223 0.172 0.000 2.331 396 L HA 0.380 4.720 4.340 -0.001 0.000 0.278 396 L C -0.937 176.168 176.870 0.392 0.000 1.106 396 L CA -0.297 54.671 54.840 0.214 0.000 0.824 396 L CB 0.750 42.891 42.059 0.136 0.000 1.142 396 L HN 0.342 nan 8.230 nan 0.000 0.443 397 L N 5.685 127.110 121.223 0.337 0.000 2.341 397 L HA 0.690 5.029 4.340 -0.001 0.000 0.278 397 L C -1.382 175.601 176.870 0.188 0.000 1.005 397 L CA -0.566 54.441 54.840 0.277 0.000 0.818 397 L CB 1.826 43.880 42.059 -0.008 0.000 1.259 397 L HN 0.421 nan 8.230 nan 0.000 0.418 398 V N 4.167 124.207 119.914 0.210 0.000 2.443 398 V HA 0.293 4.413 4.120 -0.001 0.000 0.293 398 V C -1.186 175.067 176.094 0.265 0.000 1.021 398 V CA -0.405 62.006 62.300 0.185 0.000 0.848 398 V CB 1.460 33.372 31.823 0.148 0.000 0.998 398 V HN 0.777 nan 8.190 nan 0.000 0.424 399 W N 6.239 127.571 121.300 0.053 0.000 2.391 399 W HA 0.537 5.196 4.660 -0.001 0.000 0.311 399 W C -0.259 176.299 176.519 0.065 0.000 1.087 399 W CA -1.043 56.365 57.345 0.106 0.000 1.209 399 W CB 1.203 30.771 29.460 0.181 0.000 1.273 399 W HN 0.513 nan 8.180 nan 0.000 0.482 400 N N 8.871 127.528 118.700 -0.071 0.000 2.898 400 N HA 0.209 4.949 4.740 -0.001 0.000 0.245 400 N C -2.682 172.619 175.510 -0.349 0.000 1.185 400 N CA -1.191 51.717 53.050 -0.236 0.000 0.879 400 N CB 1.336 39.800 38.487 -0.038 0.000 1.157 400 N HN 0.196 nan 8.380 nan 0.000 0.503 401 P HA 0.105 nan 4.420 nan 0.000 0.274 401 P C -0.288 176.881 177.300 -0.217 0.000 1.256 401 P CA -0.239 62.570 63.100 -0.485 0.000 0.795 401 P CB 1.075 32.251 31.700 -0.874 0.000 1.038 402 Q N 0.301 120.051 119.800 -0.084 0.000 3.179 402 Q HA 0.278 4.618 4.340 -0.001 0.000 0.328 402 Q C -0.265 175.655 176.000 -0.133 0.000 1.336 402 Q CA 0.133 55.885 55.803 -0.085 0.000 0.939 402 Q CB -0.829 27.885 28.738 -0.039 0.000 1.658 402 Q HN 0.384 nan 8.270 nan 0.000 0.486 403 I N 0.567 121.041 120.570 -0.161 0.000 2.406 403 I HA 0.413 4.582 4.170 -0.001 0.000 0.290 403 I C -0.562 175.559 176.117 0.007 0.000 0.999 403 I CA -0.962 60.250 61.300 -0.147 0.000 1.124 403 I CB 1.766 39.624 38.000 -0.236 0.000 1.289 403 I HN -0.076 nan 8.210 nan 0.000 0.441 404 V N 6.044 125.940 119.914 -0.030 0.000 2.841 404 V HA 0.440 4.559 4.120 -0.001 0.000 0.310 404 V C -0.499 175.554 176.094 -0.069 0.000 1.090 404 V CA -0.914 61.391 62.300 0.008 0.000 0.930 404 V CB 2.549 34.248 31.823 -0.207 0.000 1.014 404 V HN 0.604 nan 8.190 nan 0.000 0.425 405 K N 2.008 122.332 120.400 -0.127 0.000 2.292 405 K HA 0.605 4.924 4.320 -0.001 0.000 0.257 405 K C -1.345 175.295 176.600 0.067 0.000 0.940 405 K CA -0.450 55.714 56.287 -0.206 0.000 0.811 405 K CB 1.795 33.899 32.500 -0.660 0.000 1.120 405 K HN 0.692 nan 8.250 nan 0.000 0.428 406 c N 2.772 121.452 118.600 0.132 0.000 2.265 406 c HA 0.479 5.049 4.570 -0.001 0.000 0.332 406 c C 0.672 175.039 174.090 0.463 0.000 1.248 406 c CA -0.521 55.987 56.329 0.299 0.000 1.727 406 c CB -0.354 42.270 42.510 0.189 0.000 2.348 406 c HN 0.837 nan 8.230 nan 0.000 0.519 407 T N 0.570 115.472 114.554 0.581 0.000 2.887 407 T HA 0.438 4.788 4.350 -0.001 0.000 0.292 407 T C 0.515 175.447 174.700 0.387 0.000 1.087 407 T CA -0.737 61.610 62.100 0.411 0.000 1.009 407 T CB 1.251 70.210 68.868 0.151 0.000 1.203 407 T HN 0.596 nan 8.240 nan 0.000 0.518 408 R N 0.149 120.626 120.500 -0.038 0.000 2.299 408 R HA 0.233 4.573 4.340 -0.001 0.000 0.197 408 R C 0.631 176.934 176.300 0.005 0.000 0.971 408 R CA 0.138 56.147 56.100 -0.152 0.000 1.030 408 R CB -0.102 29.873 30.300 -0.542 0.000 0.932 408 R HN 0.627 nan 8.270 nan 0.000 0.477 409 S N -1.091 114.673 115.700 0.107 0.000 2.578 409 S HA 0.218 4.687 4.470 -0.001 0.000 0.301 409 S C -0.041 174.758 174.600 0.332 0.000 1.091 409 S CA -0.841 57.442 58.200 0.139 0.000 1.032 409 S CB 1.539 64.771 63.200 0.053 0.000 1.064 409 S HN 0.319 nan 8.310 nan 0.000 0.508 410 N N 0.990 119.852 118.700 0.271 0.000 2.461 410 N HA 0.090 4.830 4.740 -0.001 0.000 0.188 410 N C -0.387 175.406 175.510 0.471 0.000 1.134 410 N CA 0.275 53.542 53.050 0.363 0.000 0.878 410 N CB 0.309 38.904 38.487 0.181 0.000 0.972 410 N HN 0.389 nan 8.380 nan 0.000 0.456 411 T N 0.894 115.614 114.554 0.276 0.000 2.799 411 T HA 0.487 4.837 4.350 -0.001 0.000 0.286 411 T C 0.367 174.903 174.700 -0.274 0.000 0.973 411 T CA -0.791 61.361 62.100 0.085 0.000 1.035 411 T CB 1.393 70.271 68.868 0.017 0.000 0.932 411 T HN 0.160 nan 8.240 nan 0.000 0.469 412 A N 5.160 127.649 122.820 -0.552 0.000 2.555 412 A HA 0.336 4.655 4.320 -0.001 0.000 0.233 412 A C -2.089 175.022 177.584 -0.788 0.000 1.060 412 A CA -0.892 50.429 52.037 -1.194 0.000 0.759 412 A CB -0.656 18.057 19.000 -0.478 0.000 0.995 412 A HN 0.525 nan 8.150 nan 0.000 0.506 413 P HA 0.078 nan 4.420 nan 0.000 0.264 413 P C 0.822 178.031 177.300 -0.151 0.000 1.183 413 P CA 0.907 63.616 63.100 -0.651 0.000 0.763 413 P CB 0.488 31.503 31.700 -1.143 0.000 0.807 414 G N 1.365 110.138 108.800 -0.045 0.000 3.448 414 G HA2 0.171 4.130 3.960 -0.001 0.000 0.261 414 G HA3 0.171 4.130 3.960 -0.001 0.000 0.261 414 G C -0.299 174.797 174.900 0.326 0.000 1.173 414 G CA 0.014 45.217 45.100 0.171 0.000 0.835 414 G HN 0.495 nan 8.290 nan 0.000 0.534 415 c N 0.352 119.063 118.600 0.187 0.000 2.507 415 c HA 0.822 5.391 4.570 -0.001 0.000 0.319 415 c C 0.817 174.677 174.090 -0.384 0.000 1.208 415 c CA -1.099 55.222 56.329 -0.014 0.000 1.619 415 c CB 0.951 43.394 42.510 -0.111 0.000 2.230 415 c HN 0.546 nan 8.230 nan 0.000 0.492 416 A N 4.498 126.897 122.820 -0.702 0.000 2.313 416 A HA 0.706 5.025 4.320 -0.001 0.000 0.261 416 A C -2.244 175.224 177.584 -0.192 0.000 1.090 416 A CA -0.779 50.691 52.037 -0.945 0.000 0.807 416 A CB -0.301 18.328 19.000 -0.618 0.000 1.055 416 A HN 0.712 nan 8.150 nan 0.000 0.492 417 P HA 0.171 nan 4.420 nan 0.000 0.270 417 P C -0.336 177.009 177.300 0.075 0.000 1.223 417 P CA 0.307 63.410 63.100 0.005 0.000 0.785 417 P CB -0.040 31.569 31.700 -0.151 0.000 0.923 418 F N -2.769 117.189 119.950 0.013 0.000 3.034 418 F HA -0.230 4.296 4.527 -0.001 0.000 0.286 418 F C 0.887 176.677 175.800 -0.016 0.000 0.804 418 F CA 1.417 59.415 58.000 -0.003 0.000 1.161 418 F CB -2.729 36.269 39.000 -0.004 0.000 1.317 418 F HN 0.451 nan 8.300 nan 0.000 0.453 419 T N -3.076 111.512 114.554 0.057 0.000 2.901 419 T HA 0.611 4.961 4.350 -0.001 0.000 0.293 419 T C -0.760 173.917 174.700 -0.038 0.000 1.084 419 T CA -1.153 60.957 62.100 0.017 0.000 1.008 419 T CB 2.944 71.814 68.868 0.003 0.000 1.170 419 T HN 0.253 nan 8.240 nan 0.000 0.509 420 K N 0.635 121.006 120.400 -0.048 0.000 2.159 420 K HA 0.534 4.853 4.320 -0.001 0.000 0.266 420 K C -0.541 175.975 176.600 -0.140 0.000 0.975 420 K CA -0.842 55.395 56.287 -0.083 0.000 0.865 420 K CB 0.835 33.300 32.500 -0.059 0.000 1.087 420 K HN 0.820 nan 8.250 nan 0.000 0.446 421 c N 3.560 122.058 118.600 -0.170 0.000 2.633 421 c HA 0.073 4.643 4.570 -0.001 0.000 0.415 421 c C 1.701 175.615 174.090 -0.293 0.000 1.393 421 c CA -0.273 55.916 56.329 -0.233 0.000 1.700 421 c CB -0.369 42.018 42.510 -0.205 0.000 2.541 421 c HN 0.952 nan 8.230 nan 0.000 0.603 422 A N 3.578 126.083 122.820 -0.525 0.000 2.072 422 A HA 0.061 4.380 4.320 -0.001 0.000 0.216 422 A C 0.807 178.104 177.584 -0.479 0.000 1.156 422 A CA 1.017 52.648 52.037 -0.676 0.000 0.701 422 A CB -0.191 17.866 19.000 -1.572 0.000 0.816 422 A HN 0.965 nan 8.150 nan 0.000 0.458 423 N N -1.915 116.541 118.700 -0.406 0.000 2.571 423 N HA 0.290 5.029 4.740 -0.001 0.000 0.273 423 N C -0.187 175.196 175.510 -0.213 0.000 1.340 423 N CA -0.416 52.506 53.050 -0.214 0.000 0.789 423 N CB 0.561 38.994 38.487 -0.090 0.000 1.514 423 N HN 0.022 nan 8.380 nan 0.000 0.499 424 E N -0.446 119.604 120.200 -0.251 0.000 2.085 424 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 424 E C 0.070 176.433 176.600 -0.394 0.000 0.994 424 E CA 1.635 57.756 56.400 -0.466 0.000 0.801 424 E CB -0.055 29.174 29.700 -0.785 0.000 0.743 424 E HN 0.557 nan 8.360 nan 0.000 0.453 425 D N -0.523 119.721 120.400 -0.261 0.000 2.348 425 D HA -0.060 4.580 4.640 -0.001 0.000 0.216 425 D C 0.326 176.538 176.300 -0.147 0.000 0.970 425 D CA 0.402 54.302 54.000 -0.167 0.000 0.889 425 D CB -0.083 40.654 40.800 -0.106 0.000 0.912 425 D HN 0.139 nan 8.370 nan 0.000 0.524 426 c N 1.305 119.804 118.600 -0.169 0.000 4.234 426 c HA -0.169 4.400 4.570 -0.001 0.000 0.308 426 c C 1.853 175.871 174.090 -0.120 0.000 1.286 426 c CA 0.841 57.057 56.329 -0.187 0.000 2.102 426 c CB -2.528 39.839 42.510 -0.240 0.000 1.311 426 c HN 0.514 nan 8.230 nan 0.000 0.689 427 T N -1.710 112.825 114.554 -0.033 0.000 3.044 427 T HA 0.440 4.790 4.350 -0.001 0.000 0.250 427 T C 0.214 175.043 174.700 0.214 0.000 1.081 427 T CA 0.865 63.010 62.100 0.075 0.000 1.040 427 T CB 0.028 68.959 68.868 0.104 0.000 0.962 427 T HN 1.627 nan 8.240 nan 0.000 0.506 428 F N -0.353 119.581 119.950 -0.027 0.000 2.789 428 F HA 0.758 5.285 4.527 -0.001 0.000 0.319 428 F C -1.799 173.996 175.800 -0.009 0.000 1.168 428 F CA -1.916 56.081 58.000 -0.005 0.000 0.934 428 F CB 0.937 39.935 39.000 -0.003 0.000 1.375 428 F HN -0.021 nan 8.300 nan 0.000 0.480 429 c N 0.540 119.109 118.600 -0.051 0.000 2.994 429 c HA 0.921 5.491 4.570 -0.001 0.000 0.304 429 c C -0.026 174.043 174.090 -0.035 0.000 1.273 429 c CA -0.100 56.158 56.329 -0.119 0.000 1.537 429 c CB 1.449 43.956 42.510 -0.005 0.000 2.001 429 c HN 1.101 nan 8.230 nan 0.000 0.471 430 T N -3.035 111.478 114.554 -0.067 0.000 2.858 430 T HA 0.588 4.937 4.350 -0.001 0.000 0.285 430 T C -0.471 174.234 174.700 0.009 0.000 1.052 430 T CA -0.241 61.858 62.100 -0.001 0.000 1.009 430 T CB 1.087 69.948 68.868 -0.012 0.000 1.241 430 T HN 0.807 nan 8.240 nan 0.000 0.542 431 D N 0.589 121.007 120.400 0.030 0.000 2.708 431 D HA -0.144 4.496 4.640 -0.001 0.000 0.236 431 D C 0.638 176.965 176.300 0.046 0.000 1.146 431 D CA 0.880 54.903 54.000 0.038 0.000 0.662 431 D CB -1.349 39.471 40.800 0.033 0.000 1.059 431 D HN 0.814 nan 8.370 nan 0.000 0.428 432 I N 0.000 120.599 120.570 0.049 0.000 2.984 432 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 432 I CA 0.000 61.332 61.300 0.053 0.000 1.566 432 I CB 0.000 38.036 38.000 0.061 0.000 1.214 432 I HN 0.000 nan 8.210 nan 0.000 0.494