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 3che_1_B DATA FIRST_RESID 39 DATA SEQUENCE ASSGYRSVVY FVNWAIYGRN HNPQDLPVER LTHVLYAFAN VRPETGEVYM DATA SEQUENCE TDSWADIEKH YPGDSWSDTG NNVYGCIKQL YLLKKQNRNL KVLLSIGGWT DATA SEQUENCE YSPNFAPAAS TDAGRKNFAK TAVKLLQDLG FDGLDIDWEY PENDQQANDF DATA SEQUENCE VLLLKEVRTA LDSYSAANAG GQHFLLTVAS PAGPDKIKVL HLKDMDQQLD DATA SEQUENCE FWNLMAYDYA GSFSSLSGHQ ANVYNDTSNP LSTPFNTQTA LDLYRAGGVP DATA SEQUENCE ANKIVLGMPL YGRSFANTDG PGKPYNGVGQ GSWENGVWDY KALPQAGATE DATA SEQUENCE HVLPDIMASY SYDATNKFLI SYDNPQVANL KSGYIKSLGL GGAMWWDSSS DATA SEQUENCE DKTGSDSLIT TVVNALGGTG VFEQSQNELD YPVSQYDNLR NGMQ 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.592 177.584 0.014 0.000 1.274 39 A CA 0.000 52.047 52.037 0.017 0.000 0.836 39 A CB 0.000 19.010 19.000 0.016 0.000 0.831 40 S N -0.131 115.581 115.700 0.019 0.000 2.580 40 S HA 0.714 5.184 4.470 0.001 0.000 0.281 40 S C -0.215 174.391 174.600 0.010 0.000 1.129 40 S CA 0.049 58.255 58.200 0.010 0.000 0.862 40 S CB 0.675 63.881 63.200 0.009 0.000 1.090 40 S HN 2.344 nan 8.310 nan 0.000 0.451 41 S N 1.406 117.100 115.700 -0.010 0.000 2.596 41 S HA 0.851 5.322 4.470 0.001 0.000 0.260 41 S C 0.744 175.312 174.600 -0.052 0.000 1.336 41 S CA 0.182 58.364 58.200 -0.030 0.000 0.993 41 S CB 0.404 63.573 63.200 -0.051 0.000 0.923 41 S HN 2.348 nan 8.310 nan 0.000 0.567 42 G N -0.311 108.429 108.800 -0.099 0.000 2.317 42 G HA2 0.375 4.336 3.960 0.001 0.000 0.293 42 G HA3 0.375 4.336 3.960 0.001 0.000 0.293 42 G C -1.890 172.903 174.900 -0.179 0.000 1.287 42 G CA -1.044 43.961 45.100 -0.157 0.000 0.850 42 G HN 0.624 nan 8.290 nan 0.000 0.515 43 Y N 0.844 121.195 120.300 0.086 0.000 2.336 43 Y HA 0.596 5.147 4.550 0.001 0.000 0.331 43 Y C 1.529 177.394 175.900 -0.057 0.000 1.211 43 Y CA 0.006 58.124 58.100 0.031 0.000 1.346 43 Y CB 0.760 39.281 38.460 0.101 0.000 1.271 43 Y HN 0.291 nan 8.280 nan 0.000 0.538 44 R N 0.628 121.120 120.500 -0.013 0.000 2.540 44 R HA 0.555 4.896 4.340 0.001 0.000 0.287 44 R C -0.661 175.520 176.300 -0.198 0.000 0.980 44 R CA -0.829 55.157 56.100 -0.190 0.000 0.966 44 R CB 1.543 31.572 30.300 -0.452 0.000 1.106 44 R HN 0.544 nan 8.270 nan 0.000 0.480 45 S N 1.831 117.385 115.700 -0.244 0.000 2.718 45 S HA 0.351 4.822 4.470 0.001 0.000 0.294 45 S C -0.962 173.699 174.600 0.102 0.000 1.157 45 S CA -0.634 57.524 58.200 -0.071 0.000 1.121 45 S CB 0.699 63.722 63.200 -0.296 0.000 1.015 45 S HN 0.300 nan 8.310 nan 0.000 0.479 46 V N 4.886 124.894 119.914 0.157 0.000 2.513 46 V HA 0.761 4.881 4.120 0.001 0.000 0.299 46 V C -0.216 176.072 176.094 0.324 0.000 1.035 46 V CA -0.687 61.730 62.300 0.196 0.000 0.889 46 V CB 1.670 33.555 31.823 0.103 0.000 0.988 46 V HN 0.592 nan 8.190 nan 0.000 0.440 47 V N 4.847 124.910 119.914 0.249 0.000 2.841 47 V HA 0.576 4.696 4.120 0.001 0.000 0.310 47 V C -1.635 174.528 176.094 0.115 0.000 1.090 47 V CA -0.542 61.934 62.300 0.293 0.000 0.930 47 V CB 2.293 34.287 31.823 0.285 0.000 1.014 47 V HN 0.752 nan 8.190 nan 0.000 0.425 48 Y N 5.256 125.641 120.300 0.142 0.000 2.313 48 Y HA 0.500 5.050 4.550 0.001 0.000 0.332 48 Y C -0.280 175.512 175.900 -0.180 0.000 1.071 48 Y CA -0.004 58.092 58.100 -0.006 0.000 1.169 48 Y CB 1.504 39.929 38.460 -0.059 0.000 1.192 48 Y HN 0.635 nan 8.280 nan 0.000 0.487 49 F N 5.061 124.925 119.950 -0.143 0.000 2.402 49 F HA 0.561 5.088 4.527 0.001 0.000 0.355 49 F C -0.709 174.809 175.800 -0.471 0.000 1.123 49 F CA -1.266 56.603 58.000 -0.218 0.000 1.021 49 F CB 0.620 39.595 39.000 -0.043 0.000 1.160 49 F HN 0.233 nan 8.300 nan 0.000 0.451 50 V N 4.265 123.456 119.914 -1.206 0.000 2.509 50 V HA 0.296 4.417 4.120 0.001 0.000 0.284 50 V C 0.750 176.129 176.094 -1.192 0.000 1.047 50 V CA -0.542 60.889 62.300 -1.448 0.000 0.952 50 V CB 1.235 31.671 31.823 -2.312 0.000 0.988 50 V HN 0.862 nan 8.190 nan 0.000 0.469 51 N N 4.070 122.331 118.700 -0.731 0.000 2.453 51 N HA -0.155 4.586 4.740 0.001 0.000 0.183 51 N C 1.117 176.611 175.510 -0.027 0.000 1.041 51 N CA 1.722 54.645 53.050 -0.212 0.000 0.900 51 N CB -0.669 37.766 38.487 -0.088 0.000 0.961 51 N HN 0.992 nan 8.380 nan 0.000 0.443 52 W N -1.176 120.089 121.300 -0.058 0.000 3.180 52 W HA 0.608 5.268 4.660 0.001 0.000 0.254 52 W C 1.552 178.024 176.519 -0.078 0.000 1.318 52 W CA -0.196 57.210 57.345 0.103 0.000 1.608 52 W CB -0.348 29.210 29.460 0.163 0.000 1.124 52 W HN 0.103 nan 8.180 nan 0.000 0.694 53 A N 2.208 124.717 122.820 -0.518 0.000 2.121 53 A HA -0.092 4.228 4.320 0.001 0.000 0.218 53 A C 1.896 179.326 177.584 -0.258 0.000 1.154 53 A CA 1.389 53.112 52.037 -0.523 0.000 0.679 53 A CB -1.027 17.476 19.000 -0.827 0.000 0.795 53 A HN 0.693 nan 8.150 nan 0.000 0.458 54 I N -4.613 115.821 120.570 -0.227 0.000 3.334 54 I HA 0.006 4.176 4.170 0.001 0.000 0.282 54 I C 1.498 177.481 176.117 -0.224 0.000 1.313 54 I CA 0.462 61.653 61.300 -0.183 0.000 1.396 54 I CB -0.314 37.560 38.000 -0.209 0.000 1.054 54 I HN 0.213 nan 8.210 nan 0.000 0.495 55 Y N 1.909 122.242 120.300 0.055 0.000 3.098 55 Y HA 0.417 4.968 4.550 0.001 0.000 0.204 55 Y C 2.614 178.502 175.900 -0.019 0.000 0.896 55 Y CA 0.944 59.084 58.100 0.066 0.000 1.051 55 Y CB -1.286 37.233 38.460 0.099 0.000 1.077 55 Y HN -0.096 nan 8.280 nan 0.000 0.463 56 G N 0.031 108.905 108.800 0.123 0.000 2.442 56 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 56 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 56 G C 1.513 176.227 174.900 -0.310 0.000 1.141 56 G CA 0.882 45.983 45.100 0.002 0.000 0.763 56 G HN 0.316 nan 8.290 nan 0.000 0.554 57 R N -0.329 119.760 120.500 -0.686 0.000 2.237 57 R HA -0.009 4.331 4.340 0.001 0.000 0.219 57 R C 1.101 177.316 176.300 -0.143 0.000 1.080 57 R CA 0.468 56.193 56.100 -0.626 0.000 0.995 57 R CB -0.237 29.622 30.300 -0.735 0.000 0.875 57 R HN 0.336 nan 8.270 nan 0.000 0.462 58 N N 1.013 119.681 118.700 -0.053 0.000 2.714 58 N HA -0.256 4.485 4.740 0.001 0.000 0.252 58 N C -1.463 174.101 175.510 0.090 0.000 1.014 58 N CA 0.768 53.847 53.050 0.048 0.000 0.735 58 N CB -1.205 37.333 38.487 0.086 0.000 0.924 58 N HN 0.441 nan 8.380 nan 0.000 0.540 59 H N 0.199 119.230 119.070 -0.065 0.000 2.589 59 H HA 0.625 5.181 4.556 0.001 0.000 0.335 59 H C -0.518 174.873 175.328 0.105 0.000 1.019 59 H CA -0.669 55.361 56.048 -0.031 0.000 1.213 59 H CB 0.574 30.240 29.762 -0.161 0.000 1.472 59 H HN 0.366 nan 8.280 nan 0.000 0.508 60 N N 5.026 123.610 118.700 -0.193 0.000 2.402 60 N HA 0.238 4.978 4.740 0.001 0.000 0.294 60 N C -2.072 173.213 175.510 -0.374 0.000 1.203 60 N CA -1.862 51.102 53.050 -0.144 0.000 0.838 60 N CB 1.840 40.188 38.487 -0.232 0.000 1.306 60 N HN 0.371 nan 8.380 nan 0.000 0.510 61 P HA -0.184 nan 4.420 nan 0.000 0.216 61 P C 0.580 177.611 177.300 -0.449 0.000 1.150 61 P CA 1.424 64.067 63.100 -0.762 0.000 0.843 61 P CB 0.211 31.422 31.700 -0.816 0.000 0.787 62 Q N -0.654 118.893 119.800 -0.422 0.000 2.297 62 Q HA -0.157 4.184 4.340 0.001 0.000 0.208 62 Q C 1.360 177.235 176.000 -0.208 0.000 0.981 62 Q CA 1.278 56.901 55.803 -0.300 0.000 0.876 62 Q CB -0.863 27.692 28.738 -0.304 0.000 0.921 62 Q HN 0.360 nan 8.270 nan 0.000 0.446 63 D N -0.463 119.805 120.400 -0.219 0.000 2.355 63 D HA 0.027 4.667 4.640 0.001 0.000 0.218 63 D C 0.024 176.304 176.300 -0.033 0.000 1.004 63 D CA 0.178 54.113 54.000 -0.109 0.000 0.880 63 D CB 0.164 40.912 40.800 -0.086 0.000 0.911 63 D HN 0.265 nan 8.370 nan 0.000 0.528 64 L N 2.635 123.815 121.223 -0.072 0.000 2.456 64 L HA 0.103 4.444 4.340 0.001 0.000 0.272 64 L C -1.627 175.240 176.870 -0.004 0.000 1.189 64 L CA -1.185 53.659 54.840 0.007 0.000 0.846 64 L CB 0.226 42.270 42.059 -0.025 0.000 1.111 64 L HN -0.187 nan 8.230 nan 0.000 0.475 65 P HA 0.011 nan 4.420 nan 0.000 0.230 65 P C 1.020 178.334 177.300 0.023 0.000 1.791 65 P CA -0.208 62.897 63.100 0.009 0.000 1.020 65 P CB 0.148 31.847 31.700 -0.002 0.000 1.977 66 V N 0.540 120.456 119.914 0.005 0.000 2.453 66 V HA -0.268 3.852 4.120 0.001 0.000 0.252 66 V C 1.809 177.934 176.094 0.051 0.000 1.068 66 V CA 1.586 63.891 62.300 0.009 0.000 1.070 66 V CB -1.505 30.300 31.823 -0.029 0.000 0.664 66 V HN 0.214 nan 8.190 nan 0.000 0.461 67 E N 0.273 120.506 120.200 0.055 0.000 2.347 67 E HA -0.005 4.346 4.350 0.001 0.000 0.196 67 E C 1.900 178.613 176.600 0.188 0.000 1.008 67 E CA 0.558 57.010 56.400 0.087 0.000 0.852 67 E CB -0.101 29.624 29.700 0.041 0.000 0.783 67 E HN 0.622 nan 8.360 nan 0.000 0.505 68 R N 0.291 120.912 120.500 0.201 0.000 2.507 68 R HA 0.287 4.628 4.340 0.001 0.000 0.298 68 R C -0.231 176.288 176.300 0.366 0.000 0.999 68 R CA -0.016 56.293 56.100 0.348 0.000 1.082 68 R CB 0.449 30.857 30.300 0.181 0.000 1.246 68 R HN 0.018 nan 8.270 nan 0.000 0.553 69 L N -1.128 120.227 121.223 0.220 0.000 2.350 69 L HA 0.393 4.734 4.340 0.001 0.000 0.260 69 L C 1.093 177.914 176.870 -0.080 0.000 1.015 69 L CA -0.517 54.340 54.840 0.029 0.000 0.821 69 L CB 2.351 44.450 42.059 0.066 0.000 1.370 69 L HN -0.010 nan 8.230 nan 0.000 0.416 70 T N -4.207 110.250 114.554 -0.161 0.000 2.964 70 T HA 0.260 4.610 4.350 0.001 0.000 0.249 70 T C 0.174 174.703 174.700 -0.286 0.000 1.000 70 T CA 0.141 62.129 62.100 -0.186 0.000 0.992 70 T CB 0.101 68.868 68.868 -0.168 0.000 1.087 70 T HN 0.534 nan 8.240 nan 0.000 0.489 71 H N -0.222 118.849 119.070 0.001 0.000 2.806 71 H HA 0.749 5.306 4.556 0.001 0.000 0.367 71 H C -1.488 173.873 175.328 0.055 0.000 1.136 71 H CA -0.749 55.340 56.048 0.067 0.000 1.178 71 H CB 2.226 32.080 29.762 0.154 0.000 1.718 71 H HN 0.044 nan 8.280 nan 0.000 0.540 72 V N 3.575 123.579 119.914 0.150 0.000 2.444 72 V HA 0.265 4.386 4.120 0.001 0.000 0.294 72 V C -0.907 175.231 176.094 0.073 0.000 1.022 72 V CA -0.706 61.652 62.300 0.097 0.000 0.850 72 V CB 1.509 33.368 31.823 0.060 0.000 0.992 72 V HN 0.428 nan 8.190 nan 0.000 0.426 73 L N 5.391 126.592 121.223 -0.038 0.000 2.280 73 L HA 0.428 4.768 4.340 0.001 0.000 0.287 73 L C -0.576 176.322 176.870 0.047 0.000 1.023 73 L CA -0.327 54.450 54.840 -0.106 0.000 0.819 73 L CB 0.815 42.556 42.059 -0.530 0.000 1.212 73 L HN 0.609 nan 8.230 nan 0.000 0.420 74 Y N 3.633 123.911 120.300 -0.037 0.000 2.452 74 Y HA 0.604 5.154 4.550 0.001 0.000 0.348 74 Y C 0.180 176.074 175.900 -0.010 0.000 0.985 74 Y CA -0.637 57.472 58.100 0.015 0.000 1.214 74 Y CB 0.719 39.195 38.460 0.025 0.000 1.136 74 Y HN 0.668 nan 8.280 nan 0.000 0.523 75 A N 6.428 128.981 122.820 -0.446 0.000 2.330 75 A HA 0.783 5.103 4.320 0.001 0.000 0.327 75 A C -1.732 175.560 177.584 -0.487 0.000 1.155 75 A CA -0.405 51.250 52.037 -0.636 0.000 0.803 75 A CB 0.448 18.654 19.000 -1.323 0.000 1.208 75 A HN 0.629 nan 8.150 nan 0.000 0.477 76 F N 0.316 120.371 119.950 0.175 0.000 2.599 76 F HA 0.682 5.210 4.527 0.001 0.000 0.311 76 F C 0.540 176.436 175.800 0.160 0.000 1.076 76 F CA -0.428 57.716 58.000 0.239 0.000 0.937 76 F CB 2.253 41.499 39.000 0.410 0.000 1.282 76 F HN 0.755 nan 8.300 nan 0.000 0.460 77 A N 1.851 124.837 122.820 0.277 0.000 2.295 77 A HA 0.641 4.962 4.320 0.001 0.000 0.318 77 A C -0.558 176.870 177.584 -0.259 0.000 1.134 77 A CA -0.421 51.595 52.037 -0.035 0.000 0.827 77 A CB 0.790 19.750 19.000 -0.067 0.000 1.136 77 A HN 0.714 nan 8.150 nan 0.000 0.493 78 N N -0.610 117.622 118.700 -0.781 0.000 2.518 78 N HA 0.592 5.332 4.740 0.001 0.000 0.284 78 N C -1.440 173.586 175.510 -0.807 0.000 1.230 78 N CA -0.399 51.981 53.050 -1.116 0.000 0.941 78 N CB 1.755 39.187 38.487 -1.759 0.000 1.219 78 N HN 0.607 nan 8.380 nan 0.000 0.560 79 V N 1.096 120.657 119.914 -0.588 0.000 2.686 79 V HA 0.503 4.623 4.120 0.001 0.000 0.306 79 V C -0.897 175.116 176.094 -0.135 0.000 1.065 79 V CA -0.818 61.300 62.300 -0.302 0.000 0.894 79 V CB 1.289 32.909 31.823 -0.338 0.000 1.004 79 V HN 0.654 nan 8.190 nan 0.000 0.424 80 R N 7.862 128.380 120.500 0.030 0.000 2.370 80 R HA 0.259 4.600 4.340 0.001 0.000 0.309 80 R C -1.655 174.607 176.300 -0.064 0.000 1.059 80 R CA -1.272 54.824 56.100 -0.007 0.000 0.981 80 R CB 0.971 31.251 30.300 -0.034 0.000 0.972 80 R HN 0.610 nan 8.270 nan 0.000 0.437 81 P HA -0.170 nan 4.420 nan 0.000 0.216 81 P C 0.079 177.343 177.300 -0.059 0.000 1.150 81 P CA 1.408 64.450 63.100 -0.097 0.000 0.837 81 P CB 0.393 32.031 31.700 -0.103 0.000 0.786 82 E N -0.169 120.002 120.200 -0.049 0.000 2.208 82 E HA -0.072 4.278 4.350 0.001 0.000 0.193 82 E C 1.856 178.442 176.600 -0.024 0.000 0.988 82 E CA 1.815 58.194 56.400 -0.035 0.000 0.828 82 E CB -1.145 28.531 29.700 -0.039 0.000 0.763 82 E HN 0.428 nan 8.360 nan 0.000 0.478 83 T N -4.884 109.656 114.554 -0.023 0.000 2.975 83 T HA 0.404 4.755 4.350 0.001 0.000 0.261 83 T C 1.608 176.322 174.700 0.023 0.000 0.984 83 T CA 0.231 62.327 62.100 -0.007 0.000 0.911 83 T CB 0.623 69.477 68.868 -0.023 0.000 1.127 83 T HN 0.271 nan 8.240 nan 0.000 0.514 84 G N 1.783 110.604 108.800 0.034 0.000 2.179 84 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 84 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 84 G C -0.124 174.828 174.900 0.086 0.000 0.977 84 G CA 0.332 45.503 45.100 0.117 0.000 0.641 84 G HN 0.939 nan 8.290 nan 0.000 0.533 85 E N 0.549 120.757 120.200 0.014 0.000 2.415 85 E HA 0.363 4.713 4.350 0.001 0.000 0.263 85 E C 0.098 176.678 176.600 -0.033 0.000 0.995 85 E CA -0.305 56.082 56.400 -0.022 0.000 0.915 85 E CB 0.606 30.285 29.700 -0.035 0.000 0.951 85 E HN 0.161 nan 8.360 nan 0.000 0.449 86 V N 6.418 126.236 119.914 -0.159 0.000 2.427 86 V HA 0.315 4.435 4.120 0.001 0.000 0.286 86 V C -0.741 175.344 176.094 -0.014 0.000 1.034 86 V CA -0.397 61.751 62.300 -0.253 0.000 0.893 86 V CB 0.357 31.835 31.823 -0.575 0.000 0.982 86 V HN 0.600 nan 8.190 nan 0.000 0.452 87 Y N 3.219 123.406 120.300 -0.189 0.000 2.562 87 Y HA 0.773 5.324 4.550 0.001 0.000 0.345 87 Y C -0.671 175.195 175.900 -0.057 0.000 1.045 87 Y CA -2.043 55.995 58.100 -0.103 0.000 1.028 87 Y CB 1.147 39.549 38.460 -0.096 0.000 1.297 87 Y HN 0.369 nan 8.280 nan 0.000 0.463 88 M N 2.192 121.849 119.600 0.095 0.000 2.248 88 M HA 0.175 4.656 4.480 0.001 0.000 0.337 88 M C 0.877 177.230 176.300 0.088 0.000 1.121 88 M CA 0.589 55.948 55.300 0.099 0.000 1.155 88 M CB 0.727 33.442 32.600 0.192 0.000 1.514 88 M HN 0.996 nan 8.290 nan 0.000 0.452 89 T N -3.365 111.247 114.554 0.097 0.000 3.054 89 T HA 0.172 4.523 4.350 0.001 0.000 0.255 89 T C -0.018 174.816 174.700 0.224 0.000 1.035 89 T CA -0.186 61.986 62.100 0.119 0.000 0.941 89 T CB 0.212 69.143 68.868 0.106 0.000 1.026 89 T HN 0.582 nan 8.240 nan 0.000 0.533 90 D N 1.408 121.965 120.400 0.260 0.000 2.337 90 D HA 0.234 4.874 4.640 0.001 0.000 0.238 90 D C 1.171 177.649 176.300 0.297 0.000 1.331 90 D CA 0.045 54.229 54.000 0.306 0.000 0.967 90 D CB 1.566 42.592 40.800 0.377 0.000 1.382 90 D HN 0.144 nan 8.370 nan 0.000 0.549 91 S N 3.108 118.971 115.700 0.272 0.000 2.383 91 S HA -0.156 4.314 4.470 0.001 0.000 0.229 91 S C 1.959 176.730 174.600 0.286 0.000 1.030 91 S CA 0.374 58.722 58.200 0.246 0.000 1.002 91 S CB -0.582 62.749 63.200 0.218 0.000 0.829 91 S HN 0.732 nan 8.310 nan 0.000 0.467 92 W N 2.532 123.929 121.300 0.161 0.000 2.353 92 W HA -0.116 4.545 4.660 0.001 0.000 0.319 92 W C 2.481 179.080 176.519 0.133 0.000 1.207 92 W CA 1.488 58.920 57.345 0.146 0.000 1.291 92 W CB -0.656 28.910 29.460 0.176 0.000 1.159 92 W HN 0.455 nan 8.180 nan 0.000 0.478 93 A N 0.837 123.729 122.820 0.121 0.000 1.898 93 A HA -0.212 4.109 4.320 0.001 0.000 0.216 93 A C 1.664 179.285 177.584 0.061 0.000 1.181 93 A CA 2.027 54.040 52.037 -0.041 0.000 0.620 93 A CB -1.036 18.044 19.000 0.133 0.000 0.819 93 A HN 0.301 nan 8.150 nan 0.000 0.442 94 D N -0.158 120.348 120.400 0.177 0.000 2.084 94 D HA -0.085 4.555 4.640 0.001 0.000 0.196 94 D C 1.741 178.045 176.300 0.007 0.000 0.985 94 D CA 2.015 56.122 54.000 0.179 0.000 0.826 94 D CB -0.184 40.761 40.800 0.243 0.000 0.978 94 D HN 0.719 nan 8.370 nan 0.000 0.456 95 I N -3.580 116.994 120.570 0.007 0.000 4.557 95 I HA 0.291 4.462 4.170 0.001 0.000 0.333 95 I C 1.083 177.231 176.117 0.052 0.000 1.332 95 I CA -0.124 61.145 61.300 -0.052 0.000 1.240 95 I CB 0.492 38.423 38.000 -0.116 0.000 1.312 95 I HN -0.261 nan 8.210 nan 0.000 0.457 96 E N 1.945 122.182 120.200 0.062 0.000 2.244 96 E HA 0.152 4.502 4.350 0.001 0.000 0.196 96 E C 0.573 177.118 176.600 -0.092 0.000 0.939 96 E CA -0.242 56.243 56.400 0.142 0.000 0.884 96 E CB 0.438 30.304 29.700 0.276 0.000 0.850 96 E HN 0.252 nan 8.360 nan 0.000 0.481 97 K N 1.776 121.782 120.400 -0.657 0.000 2.550 97 K HA -0.063 4.257 4.320 0.001 0.000 0.280 97 K C -0.744 175.526 176.600 -0.549 0.000 0.987 97 K CA 0.449 55.978 56.287 -1.264 0.000 1.048 97 K CB 0.304 31.797 32.500 -1.677 0.000 0.879 97 K HN 0.142 nan 8.250 nan 0.000 0.491 98 H N 2.571 121.264 119.070 -0.628 0.000 2.473 98 H HA 0.180 4.737 4.556 0.001 0.000 0.327 98 H C -0.919 174.092 175.328 -0.527 0.000 1.105 98 H CA -0.750 54.996 56.048 -0.503 0.000 1.280 98 H CB 0.757 30.225 29.762 -0.489 0.000 1.450 98 H HN 0.466 nan 8.280 nan 0.000 0.492 99 Y N 1.876 122.046 120.300 -0.216 0.000 2.587 99 Y HA 0.235 4.786 4.550 0.001 0.000 0.337 99 Y C -1.995 173.785 175.900 -0.200 0.000 1.065 99 Y CA -2.625 55.371 58.100 -0.173 0.000 1.126 99 Y CB 1.002 39.362 38.460 -0.167 0.000 1.279 99 Y HN 0.593 nan 8.280 nan 0.000 0.489 100 P HA 0.132 nan 4.420 nan 0.000 0.262 100 P C 0.438 177.694 177.300 -0.073 0.000 1.182 100 P CA 1.930 65.008 63.100 -0.036 0.000 0.761 100 P CB 0.382 32.075 31.700 -0.010 0.000 0.795 101 G N 1.943 110.673 108.800 -0.117 0.000 2.213 101 G HA2 -0.162 3.799 3.960 0.001 0.000 0.226 101 G HA3 -0.162 3.799 3.960 0.001 0.000 0.226 101 G C -0.252 174.541 174.900 -0.178 0.000 0.992 101 G CA -0.431 44.599 45.100 -0.116 0.000 0.632 101 G HN 0.508 nan 8.290 nan 0.000 0.511 102 D N 0.963 121.164 120.400 -0.333 0.000 2.264 102 D HA 0.604 5.245 4.640 0.001 0.000 0.250 102 D C 0.021 175.871 176.300 -0.750 0.000 1.113 102 D CA 0.626 54.261 54.000 -0.609 0.000 0.871 102 D CB 1.694 41.779 40.800 -1.191 0.000 1.167 102 D HN 0.244 nan 8.370 nan 0.000 0.447 103 S N 1.741 117.150 115.700 -0.485 0.000 2.548 103 S HA 0.285 4.755 4.470 0.001 0.000 0.286 103 S C -0.029 174.518 174.600 -0.089 0.000 1.098 103 S CA -0.873 57.136 58.200 -0.320 0.000 0.930 103 S CB 0.617 63.753 63.200 -0.107 0.000 1.070 103 S HN 0.588 nan 8.310 nan 0.000 0.480 104 W N 2.070 123.407 121.300 0.062 0.000 2.937 104 W HA 0.021 4.682 4.660 0.001 0.000 0.245 104 W C 2.401 178.965 176.519 0.076 0.000 1.306 104 W CA 0.254 57.645 57.345 0.075 0.000 1.470 104 W CB 0.084 29.570 29.460 0.042 0.000 1.132 104 W HN 0.885 nan 8.180 nan 0.000 0.675 105 S N -0.676 115.177 115.700 0.255 0.000 2.469 105 S HA -0.133 4.337 4.470 0.001 0.000 0.238 105 S C 0.398 175.096 174.600 0.164 0.000 0.998 105 S CA 0.632 58.933 58.200 0.169 0.000 0.957 105 S CB -0.493 62.768 63.200 0.101 0.000 0.764 105 S HN 0.007 nan 8.310 nan 0.000 0.514 106 D N 3.530 124.057 120.400 0.212 0.000 2.450 106 D HA 0.202 4.842 4.640 0.001 0.000 0.247 106 D C 0.786 177.194 176.300 0.180 0.000 1.162 106 D CA 0.569 54.682 54.000 0.188 0.000 0.879 106 D CB 1.107 42.055 40.800 0.246 0.000 1.163 106 D HN 0.558 nan 8.370 nan 0.000 0.472 107 T N -0.820 113.804 114.554 0.116 0.000 2.824 107 T HA 0.577 4.927 4.350 0.001 0.000 0.277 107 T C 0.954 175.705 174.700 0.084 0.000 0.975 107 T CA -0.051 62.105 62.100 0.092 0.000 0.966 107 T CB 1.433 70.337 68.868 0.060 0.000 1.054 107 T HN 0.609 nan 8.240 nan 0.000 0.533 108 G N 1.416 110.254 108.800 0.063 0.000 2.562 108 G HA2 -0.218 3.742 3.960 0.001 0.000 0.250 108 G HA3 -0.218 3.742 3.960 0.001 0.000 0.250 108 G C -0.351 174.595 174.900 0.076 0.000 1.269 108 G CA 0.041 45.171 45.100 0.050 0.000 0.919 108 G HN 1.165 nan 8.290 nan 0.000 0.574 109 N N 1.709 120.451 118.700 0.070 0.000 2.444 109 N HA 0.446 5.187 4.740 0.001 0.000 0.262 109 N C -0.539 175.096 175.510 0.209 0.000 0.974 109 N CA -0.480 52.641 53.050 0.117 0.000 0.933 109 N CB 0.271 38.775 38.487 0.029 0.000 1.137 109 N HN 0.589 nan 8.380 nan 0.000 0.498 110 N N 1.449 120.287 118.700 0.230 0.000 2.292 110 N HA 0.372 5.112 4.740 0.001 0.000 0.303 110 N C -1.438 173.913 175.510 -0.265 0.000 1.140 110 N CA -0.560 52.506 53.050 0.026 0.000 0.788 110 N CB 2.552 41.005 38.487 -0.056 0.000 1.361 110 N HN 0.219 nan 8.380 nan 0.000 0.489 111 V N 1.987 121.471 119.914 -0.716 0.000 2.459 111 V HA 0.503 4.623 4.120 0.001 0.000 0.295 111 V C -1.195 174.346 176.094 -0.921 0.000 1.029 111 V CA -0.109 61.667 62.300 -0.873 0.000 0.874 111 V CB 0.531 31.653 31.823 -1.168 0.000 0.985 111 V HN 0.639 nan 8.190 nan 0.000 0.438 112 Y N 4.245 124.440 120.300 -0.176 0.000 3.304 112 Y HA 0.810 5.360 4.550 0.001 0.000 0.302 112 Y C 1.400 177.218 175.900 -0.137 0.000 1.660 112 Y CA 0.326 58.351 58.100 -0.125 0.000 0.779 112 Y CB -0.189 38.256 38.460 -0.026 0.000 1.242 112 Y HN 0.935 nan 8.280 nan 0.000 0.741 113 G N 0.208 109.065 108.800 0.095 0.000 2.598 113 G HA2 -0.301 3.660 3.960 0.001 0.000 0.269 113 G HA3 -0.301 3.660 3.960 0.001 0.000 0.269 113 G C 0.837 175.775 174.900 0.064 0.000 1.289 113 G CA 0.008 45.105 45.100 -0.005 0.000 0.926 113 G HN 0.800 nan 8.290 nan 0.000 0.567 114 C N -0.017 119.284 119.300 0.001 0.000 2.435 114 C HA 0.015 4.476 4.460 0.001 0.000 0.279 114 C C 3.005 177.788 174.990 -0.345 0.000 1.321 114 C CA 1.051 59.975 59.018 -0.156 0.000 1.752 114 C CB -1.378 26.332 27.740 -0.049 0.000 1.959 114 C HN 0.521 nan 8.230 nan 0.000 0.500 115 I N 1.779 122.140 120.570 -0.349 0.000 2.208 115 I HA -0.199 3.971 4.170 0.001 0.000 0.245 115 I C 2.543 178.448 176.117 -0.354 0.000 1.097 115 I CA 1.734 62.777 61.300 -0.429 0.000 1.363 115 I CB -1.269 36.477 38.000 -0.424 0.000 1.051 115 I HN 0.471 nan 8.210 nan 0.000 0.413 116 K N 0.457 120.683 120.400 -0.291 0.000 2.057 116 K HA -0.185 4.136 4.320 0.001 0.000 0.206 116 K C 2.075 178.567 176.600 -0.180 0.000 1.050 116 K CA 1.106 57.250 56.287 -0.238 0.000 0.935 116 K CB 0.075 32.446 32.500 -0.216 0.000 0.715 116 K HN 0.217 nan 8.250 nan 0.000 0.439 117 Q N 0.788 120.448 119.800 -0.232 0.000 2.124 117 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 117 Q C 2.262 178.088 176.000 -0.289 0.000 0.977 117 Q CA 1.233 56.859 55.803 -0.296 0.000 0.850 117 Q CB -0.225 28.235 28.738 -0.463 0.000 0.901 117 Q HN 0.399 nan 8.270 nan 0.000 0.429 118 L N -0.742 120.292 121.223 -0.316 0.000 2.056 118 L HA -0.195 4.145 4.340 0.001 0.000 0.207 118 L C 2.403 179.155 176.870 -0.198 0.000 1.078 118 L CA 1.251 55.920 54.840 -0.285 0.000 0.749 118 L CB -0.584 41.287 42.059 -0.313 0.000 0.901 118 L HN 0.155 nan 8.230 nan 0.000 0.433 119 Y N 0.642 120.773 120.300 -0.282 0.000 2.165 119 Y HA -0.262 4.289 4.550 0.001 0.000 0.286 119 Y C 2.361 178.161 175.900 -0.167 0.000 1.155 119 Y CA 1.504 59.467 58.100 -0.230 0.000 1.164 119 Y CB -0.146 38.154 38.460 -0.266 0.000 0.978 119 Y HN 0.003 nan 8.280 nan 0.000 0.513 120 L N -0.500 120.677 121.223 -0.077 0.000 2.042 120 L HA -0.285 4.056 4.340 0.001 0.000 0.210 120 L C 2.407 179.162 176.870 -0.192 0.000 1.076 120 L CA 1.360 56.129 54.840 -0.119 0.000 0.749 120 L CB -0.688 41.312 42.059 -0.098 0.000 0.893 120 L HN 0.325 nan 8.230 nan 0.000 0.432 121 L N -0.471 120.632 121.223 -0.200 0.000 2.083 121 L HA -0.223 4.118 4.340 0.001 0.000 0.209 121 L C 2.594 179.351 176.870 -0.187 0.000 1.083 121 L CA 1.339 56.071 54.840 -0.179 0.000 0.752 121 L CB -0.515 41.438 42.059 -0.177 0.000 0.899 121 L HN 0.232 nan 8.230 nan 0.000 0.433 122 K N 0.279 120.528 120.400 -0.251 0.000 2.097 122 K HA -0.179 4.141 4.320 0.001 0.000 0.206 122 K C 2.129 178.568 176.600 -0.269 0.000 1.049 122 K CA 1.256 57.389 56.287 -0.256 0.000 0.933 122 K CB -0.038 32.264 32.500 -0.330 0.000 0.717 122 K HN 0.274 nan 8.250 nan 0.000 0.442 123 K N 0.682 120.875 120.400 -0.345 0.000 2.097 123 K HA -0.160 4.160 4.320 0.001 0.000 0.205 123 K C 2.041 178.558 176.600 -0.138 0.000 1.050 123 K CA 1.323 57.464 56.287 -0.244 0.000 0.938 123 K CB 0.048 32.422 32.500 -0.210 0.000 0.718 123 K HN 0.142 nan 8.250 nan 0.000 0.442 124 Q N 0.069 119.791 119.800 -0.129 0.000 2.389 124 Q HA 0.056 4.397 4.340 0.001 0.000 0.204 124 Q C -0.365 175.593 176.000 -0.069 0.000 0.944 124 Q CA 0.532 56.283 55.803 -0.087 0.000 0.908 124 Q CB 0.476 29.163 28.738 -0.085 0.000 1.002 124 Q HN 0.204 nan 8.270 nan 0.000 0.493 125 N N 0.277 118.930 118.700 -0.078 0.000 2.640 125 N HA 0.160 4.901 4.740 0.001 0.000 0.262 125 N C -0.365 175.113 175.510 -0.053 0.000 1.174 125 N CA -0.263 52.757 53.050 -0.049 0.000 0.791 125 N CB 1.125 39.589 38.487 -0.039 0.000 1.279 125 N HN -0.050 nan 8.380 nan 0.000 0.535 126 R N 0.569 121.044 120.500 -0.042 0.000 2.293 126 R HA -0.060 4.281 4.340 0.001 0.000 0.219 126 R C 1.082 177.369 176.300 -0.023 0.000 1.091 126 R CA 0.716 56.794 56.100 -0.037 0.000 1.004 126 R CB -0.488 29.797 30.300 -0.025 0.000 0.865 126 R HN 0.488 nan 8.270 nan 0.000 0.469 127 N N 0.118 118.810 118.700 -0.013 0.000 2.280 127 N HA -0.017 4.723 4.740 0.001 0.000 0.192 127 N C -0.568 174.910 175.510 -0.053 0.000 1.109 127 N CA -0.050 52.995 53.050 -0.009 0.000 0.855 127 N CB 0.256 38.766 38.487 0.039 0.000 0.974 127 N HN -0.023 nan 8.380 nan 0.000 0.482 128 L N 1.176 122.364 121.223 -0.059 0.000 2.261 128 L HA 0.422 4.762 4.340 0.001 0.000 0.289 128 L C -0.750 176.064 176.870 -0.093 0.000 1.059 128 L CA -0.378 54.410 54.840 -0.088 0.000 0.816 128 L CB 0.499 42.521 42.059 -0.061 0.000 1.191 128 L HN -0.157 nan 8.230 nan 0.000 0.431 129 K N 3.214 123.519 120.400 -0.157 0.000 2.110 129 K HA 0.672 4.993 4.320 0.001 0.000 0.263 129 K C -1.179 175.446 176.600 0.041 0.000 0.975 129 K CA -0.389 55.868 56.287 -0.049 0.000 0.895 129 K CB 1.944 34.398 32.500 -0.078 0.000 1.060 129 K HN 0.378 nan 8.250 nan 0.000 0.448 130 V N 4.431 124.420 119.914 0.125 0.000 2.407 130 V HA 0.408 4.528 4.120 0.001 0.000 0.291 130 V C -0.938 175.305 176.094 0.249 0.000 1.018 130 V CA -0.914 61.487 62.300 0.169 0.000 0.842 130 V CB 1.047 32.963 31.823 0.156 0.000 0.996 130 V HN 0.469 nan 8.190 nan 0.000 0.426 131 L N 4.754 126.059 121.223 0.136 0.000 2.322 131 L HA 0.632 4.972 4.340 0.001 0.000 0.269 131 L C -0.433 176.272 176.870 -0.274 0.000 1.012 131 L CA -0.586 54.252 54.840 -0.004 0.000 0.815 131 L CB 1.642 43.719 42.059 0.030 0.000 1.295 131 L HN 0.556 nan 8.230 nan 0.000 0.438 132 L N 0.772 121.651 121.223 -0.572 0.000 2.275 132 L HA 0.574 4.914 4.340 0.001 0.000 0.288 132 L C 0.025 176.817 176.870 -0.130 0.000 1.046 132 L CA 0.410 54.873 54.840 -0.629 0.000 0.805 132 L CB 1.371 42.870 42.059 -0.933 0.000 1.193 132 L HN 0.577 nan 8.230 nan 0.000 0.426 133 S N 5.735 121.479 115.700 0.073 0.000 2.457 133 S HA 0.646 5.116 4.470 0.001 0.000 0.289 133 S C -0.387 174.468 174.600 0.426 0.000 1.163 133 S CA -0.609 57.786 58.200 0.326 0.000 1.078 133 S CB 0.139 63.672 63.200 0.554 0.000 0.987 133 S HN 0.545 nan 8.310 nan 0.000 0.482 134 I N 5.052 125.858 120.570 0.393 0.000 2.339 134 I HA 0.636 4.807 4.170 0.001 0.000 0.290 134 I C 0.970 177.346 176.117 0.432 0.000 0.994 134 I CA -0.060 61.442 61.300 0.337 0.000 1.191 134 I CB 1.184 39.352 38.000 0.280 0.000 1.343 134 I HN 0.961 nan 8.210 nan 0.000 0.458 135 G N 4.214 113.141 108.800 0.212 0.000 2.637 135 G HA2 0.343 4.304 3.960 0.001 0.000 0.211 135 G HA3 0.343 4.304 3.960 0.001 0.000 0.211 135 G C 0.001 174.539 174.900 -0.603 0.000 1.213 135 G CA 0.050 45.181 45.100 0.053 0.000 1.207 135 G HN 1.541 nan 8.290 nan 0.000 0.559 136 G N -2.000 106.326 108.800 -0.791 0.000 2.663 136 G HA2 0.136 4.097 3.960 0.001 0.000 0.686 136 G HA3 0.136 4.097 3.960 0.001 0.000 0.686 136 G C 0.696 175.270 174.900 -0.544 0.000 1.288 136 G CA 0.467 44.762 45.100 -1.342 0.000 0.836 136 G HN 1.997 nan 8.290 nan 0.000 0.584 137 W N 0.327 121.328 121.300 -0.498 0.000 2.317 137 W HA -0.184 4.476 4.660 0.001 0.000 0.318 137 W C 2.174 178.498 176.519 -0.325 0.000 1.227 137 W CA 2.873 60.006 57.345 -0.355 0.000 1.269 137 W CB -0.796 28.494 29.460 -0.283 0.000 1.155 137 W HN 0.678 nan 8.180 nan 0.000 0.484 138 T N 0.635 114.963 114.554 -0.377 0.000 2.684 138 T HA -0.265 4.086 4.350 0.001 0.000 0.267 138 T C 1.352 175.754 174.700 -0.498 0.000 1.036 138 T CA 2.071 63.878 62.100 -0.487 0.000 1.148 138 T CB -0.753 67.768 68.868 -0.578 0.000 0.863 138 T HN 0.109 nan 8.240 nan 0.000 0.436 139 Y N 1.195 121.280 120.300 -0.358 0.000 2.544 139 Y HA 0.250 4.801 4.550 0.001 0.000 0.286 139 Y C 2.696 178.306 175.900 -0.484 0.000 1.141 139 Y CA -0.798 57.066 58.100 -0.393 0.000 1.299 139 Y CB -0.848 37.373 38.460 -0.398 0.000 1.030 139 Y HN 0.109 nan 8.280 nan 0.000 0.543 140 S N 0.687 116.185 115.700 -0.337 0.000 2.420 140 S HA -0.142 4.329 4.470 0.001 0.000 0.237 140 S C -0.643 173.768 174.600 -0.315 0.000 1.023 140 S CA 1.293 59.333 58.200 -0.266 0.000 0.991 140 S CB -1.003 62.047 63.200 -0.249 0.000 0.792 140 S HN 0.372 nan 8.310 nan 0.000 0.488 141 P HA 0.037 nan 4.420 nan 0.000 0.230 141 P C 0.696 177.841 177.300 -0.257 0.000 1.158 141 P CA 0.728 63.680 63.100 -0.246 0.000 0.769 141 P CB -0.050 31.520 31.700 -0.215 0.000 0.807 142 N N -1.847 116.636 118.700 -0.361 0.000 2.422 142 N HA 0.037 4.778 4.740 0.001 0.000 0.181 142 N C 1.166 176.380 175.510 -0.494 0.000 1.080 142 N CA 0.536 53.357 53.050 -0.381 0.000 0.893 142 N CB -0.542 37.707 38.487 -0.396 0.000 0.973 142 N HN 0.160 nan 8.380 nan 0.000 0.456 143 F N 1.845 121.396 119.950 -0.664 0.000 2.084 143 F HA -0.014 4.514 4.527 0.001 0.000 0.296 143 F C 2.432 177.687 175.800 -0.908 0.000 1.111 143 F CA 0.885 58.221 58.000 -1.106 0.000 1.224 143 F CB -0.848 36.691 39.000 -2.435 0.000 0.991 143 F HN -0.006 nan 8.300 nan 0.000 0.471 144 A N 0.910 123.488 122.820 -0.402 0.000 1.859 144 A HA -0.194 4.127 4.320 0.001 0.000 0.217 144 A C 0.009 177.563 177.584 -0.051 0.000 1.198 144 A CA 2.215 54.229 52.037 -0.039 0.000 0.629 144 A CB -2.268 16.800 19.000 0.112 0.000 0.830 144 A HN 0.277 nan 8.150 nan 0.000 0.446 145 P HA -0.129 nan 4.420 nan 0.000 0.216 145 P C 1.625 178.891 177.300 -0.056 0.000 1.153 145 P CA 1.994 65.062 63.100 -0.053 0.000 0.848 145 P CB -0.242 31.419 31.700 -0.064 0.000 0.787 146 A N 0.709 123.469 122.820 -0.100 0.000 1.940 146 A HA -0.046 4.274 4.320 0.001 0.000 0.219 146 A C 2.374 179.939 177.584 -0.031 0.000 1.176 146 A CA 2.191 54.193 52.037 -0.058 0.000 0.631 146 A CB -1.457 17.502 19.000 -0.069 0.000 0.814 146 A HN 0.272 nan 8.150 nan 0.000 0.446 147 A N -0.077 122.702 122.820 -0.068 0.000 2.275 147 A HA 0.246 4.567 4.320 0.001 0.000 0.212 147 A C 2.096 179.702 177.584 0.036 0.000 1.201 147 A CA 1.143 53.166 52.037 -0.022 0.000 0.843 147 A CB -0.633 18.361 19.000 -0.010 0.000 0.873 147 A HN 0.855 nan 8.150 nan 0.000 0.492 148 S N -0.056 115.662 115.700 0.030 0.000 2.447 148 S HA -0.033 4.437 4.470 0.001 0.000 0.233 148 S C 1.058 175.681 174.600 0.038 0.000 1.006 148 S CA 1.108 59.334 58.200 0.044 0.000 0.957 148 S CB -0.821 62.398 63.200 0.033 0.000 0.773 148 S HN 0.782 nan 8.310 nan 0.000 0.507 149 T N -1.896 112.677 114.554 0.032 0.000 2.924 149 T HA 0.503 4.853 4.350 0.001 0.000 0.291 149 T C 0.241 174.964 174.700 0.039 0.000 1.045 149 T CA -0.321 61.798 62.100 0.033 0.000 1.015 149 T CB 1.767 70.651 68.868 0.026 0.000 1.103 149 T HN -0.011 nan 8.240 nan 0.000 0.496 150 D N 1.127 121.550 120.400 0.039 0.000 2.117 150 D HA -0.024 4.617 4.640 0.001 0.000 0.198 150 D C 2.218 178.546 176.300 0.047 0.000 0.982 150 D CA 1.671 55.697 54.000 0.043 0.000 0.828 150 D CB -0.349 40.475 40.800 0.039 0.000 0.967 150 D HN 0.716 nan 8.370 nan 0.000 0.464 151 A N 0.058 122.903 122.820 0.041 0.000 1.898 151 A HA 0.050 4.370 4.320 0.001 0.000 0.216 151 A C 2.370 179.986 177.584 0.054 0.000 1.181 151 A CA 1.892 53.954 52.037 0.043 0.000 0.620 151 A CB -1.364 17.654 19.000 0.031 0.000 0.819 151 A HN 0.366 nan 8.150 nan 0.000 0.442 152 G N -0.360 108.470 108.800 0.051 0.000 2.459 152 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 152 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 152 G C 1.765 176.729 174.900 0.106 0.000 1.183 152 G CA 0.942 46.081 45.100 0.065 0.000 0.776 152 G HN 0.571 nan 8.290 nan 0.000 0.552 153 R N 0.403 120.949 120.500 0.078 0.000 2.081 153 R HA -0.028 4.312 4.340 0.001 0.000 0.235 153 R C 2.650 179.032 176.300 0.137 0.000 1.131 153 R CA 1.454 57.601 56.100 0.078 0.000 0.960 153 R CB -0.260 30.066 30.300 0.043 0.000 0.856 153 R HN 0.310 nan 8.270 nan 0.000 0.436 154 K N 0.142 120.607 120.400 0.109 0.000 2.097 154 K HA -0.114 4.206 4.320 0.001 0.000 0.205 154 K C 1.835 178.511 176.600 0.126 0.000 1.050 154 K CA 1.308 57.661 56.287 0.111 0.000 0.938 154 K CB -0.153 32.394 32.500 0.078 0.000 0.718 154 K HN 0.047 nan 8.250 nan 0.000 0.442 155 N N 0.657 119.429 118.700 0.120 0.000 2.270 155 N HA -0.142 4.598 4.740 0.001 0.000 0.181 155 N C 1.472 177.065 175.510 0.139 0.000 1.016 155 N CA 0.718 53.828 53.050 0.100 0.000 0.870 155 N CB -0.114 38.415 38.487 0.069 0.000 0.979 155 N HN 0.078 nan 8.380 nan 0.000 0.431 156 F N 1.116 121.082 119.950 0.027 0.000 2.069 156 F HA -0.062 4.466 4.527 0.001 0.000 0.298 156 F C 2.140 177.966 175.800 0.043 0.000 1.113 156 F CA 1.678 59.697 58.000 0.032 0.000 1.214 156 F CB -0.813 38.213 39.000 0.045 0.000 0.978 156 F HN 0.100 nan 8.300 nan 0.000 0.474 157 A N 0.221 123.297 122.820 0.426 0.000 1.877 157 A HA -0.248 4.073 4.320 0.001 0.000 0.216 157 A C 2.341 180.000 177.584 0.124 0.000 1.186 157 A CA 1.973 54.181 52.037 0.285 0.000 0.620 157 A CB -0.955 18.179 19.000 0.223 0.000 0.822 157 A HN 0.488 nan 8.150 nan 0.000 0.443 158 K N -0.487 119.971 120.400 0.097 0.000 2.032 158 K HA -0.178 4.143 4.320 0.001 0.000 0.209 158 K C 2.189 178.793 176.600 0.006 0.000 1.048 158 K CA 2.175 58.493 56.287 0.052 0.000 0.927 158 K CB -0.385 32.146 32.500 0.051 0.000 0.712 158 K HN 0.648 nan 8.250 nan 0.000 0.441 159 T N -1.512 113.032 114.554 -0.017 0.000 2.821 159 T HA 0.000 4.351 4.350 0.001 0.000 0.267 159 T C 2.033 176.679 174.700 -0.091 0.000 1.046 159 T CA 0.946 63.012 62.100 -0.056 0.000 1.139 159 T CB -0.328 68.498 68.868 -0.070 0.000 0.871 159 T HN 0.258 nan 8.240 nan 0.000 0.454 160 A N 1.184 123.918 122.820 -0.143 0.000 1.898 160 A HA 0.112 4.432 4.320 0.001 0.000 0.216 160 A C 2.605 180.141 177.584 -0.081 0.000 1.181 160 A CA 1.420 53.368 52.037 -0.148 0.000 0.620 160 A CB -1.034 17.846 19.000 -0.200 0.000 0.819 160 A HN 0.404 nan 8.150 nan 0.000 0.442 161 V N 0.366 120.238 119.914 -0.070 0.000 2.515 161 V HA -0.213 3.907 4.120 0.001 0.000 0.250 161 V C 2.543 178.516 176.094 -0.202 0.000 1.058 161 V CA 2.308 64.525 62.300 -0.140 0.000 1.064 161 V CB -0.602 31.172 31.823 -0.081 0.000 0.675 161 V HN 0.631 nan 8.190 nan 0.000 0.461 162 K N 0.805 121.138 120.400 -0.111 0.000 2.057 162 K HA -0.118 4.203 4.320 0.001 0.000 0.207 162 K C 1.884 178.435 176.600 -0.081 0.000 1.049 162 K CA 1.687 57.918 56.287 -0.094 0.000 0.931 162 K CB -0.613 31.860 32.500 -0.046 0.000 0.714 162 K HN 0.411 nan 8.250 nan 0.000 0.440 163 L N 0.335 121.538 121.223 -0.034 0.000 2.046 163 L HA -0.142 4.198 4.340 0.001 0.000 0.208 163 L C 2.487 179.386 176.870 0.049 0.000 1.077 163 L CA 1.206 56.074 54.840 0.046 0.000 0.747 163 L CB -0.472 41.651 42.059 0.106 0.000 0.896 163 L HN 0.261 nan 8.230 nan 0.000 0.432 164 L N 0.090 121.321 121.223 0.013 0.000 2.046 164 L HA -0.261 4.080 4.340 0.001 0.000 0.208 164 L C 2.831 179.566 176.870 -0.226 0.000 1.077 164 L CA 1.592 56.416 54.840 -0.026 0.000 0.747 164 L CB -0.292 41.671 42.059 -0.160 0.000 0.896 164 L HN 0.396 nan 8.230 nan 0.000 0.432 165 Q N -1.411 118.196 119.800 -0.323 0.000 2.224 165 Q HA -0.202 4.138 4.340 0.001 0.000 0.203 165 Q C 1.211 177.194 176.000 -0.029 0.000 0.970 165 Q CA 1.671 57.357 55.803 -0.195 0.000 0.865 165 Q CB -0.232 28.316 28.738 -0.316 0.000 0.922 165 Q HN 0.472 nan 8.270 nan 0.000 0.445 166 D N 1.021 121.360 120.400 -0.103 0.000 2.201 166 D HA 0.053 4.694 4.640 0.001 0.000 0.209 166 D C 1.690 177.912 176.300 -0.131 0.000 0.961 166 D CA 0.816 54.783 54.000 -0.055 0.000 0.861 166 D CB 0.210 41.015 40.800 0.009 0.000 0.997 166 D HN 0.280 nan 8.370 nan 0.000 0.486 167 L N -0.513 120.499 121.223 -0.353 0.000 2.607 167 L HA 0.312 4.653 4.340 0.001 0.000 0.228 167 L C 1.010 177.228 176.870 -1.087 0.000 1.123 167 L CA 0.118 54.554 54.840 -0.674 0.000 0.890 167 L CB 0.174 41.810 42.059 -0.705 0.000 1.103 167 L HN 0.036 nan 8.230 nan 0.000 0.468 168 G N 0.202 108.268 108.800 -1.223 0.000 2.212 168 G HA2 -0.273 3.687 3.960 0.001 0.000 0.255 168 G HA3 -0.273 3.687 3.960 0.001 0.000 0.255 168 G C -0.122 174.230 174.900 -0.913 0.000 1.062 168 G CA -0.401 43.720 45.100 -1.631 0.000 0.815 168 G HN 0.102 nan 8.290 nan 0.000 0.497 169 F N -0.008 119.731 119.950 -0.351 0.000 2.370 169 F HA 0.464 4.992 4.527 0.001 0.000 0.324 169 F C 1.320 177.180 175.800 0.099 0.000 1.116 169 F CA -1.119 56.828 58.000 -0.088 0.000 1.123 169 F CB 0.800 39.743 39.000 -0.096 0.000 1.238 169 F HN 0.015 nan 8.300 nan 0.000 0.536 170 D N 0.312 120.949 120.400 0.396 0.000 2.349 170 D HA 0.290 4.931 4.640 0.001 0.000 0.214 170 D C 0.805 177.362 176.300 0.429 0.000 1.063 170 D CA 0.542 54.830 54.000 0.479 0.000 0.847 170 D CB 0.854 41.872 40.800 0.364 0.000 0.933 170 D HN 0.675 nan 8.370 nan 0.000 0.513 171 G N 0.075 109.019 108.800 0.241 0.000 2.317 171 G HA2 0.396 4.356 3.960 0.001 0.000 0.293 171 G HA3 0.396 4.356 3.960 0.001 0.000 0.293 171 G C -2.034 172.889 174.900 0.038 0.000 1.287 171 G CA -0.855 44.331 45.100 0.143 0.000 0.850 171 G HN 0.027 nan 8.290 nan 0.000 0.515 172 L N 0.067 121.301 121.223 0.019 0.000 2.388 172 L HA 0.665 5.006 4.340 0.001 0.000 0.264 172 L C -1.344 175.536 176.870 0.018 0.000 0.998 172 L CA -0.839 54.003 54.840 0.004 0.000 0.817 172 L CB 2.519 44.608 42.059 0.051 0.000 1.338 172 L HN 0.659 nan 8.230 nan 0.000 0.414 173 D N 2.122 122.559 120.400 0.062 0.000 2.502 173 D HA 0.517 5.158 4.640 0.001 0.000 0.249 173 D C -1.114 175.323 176.300 0.228 0.000 1.092 173 D CA -0.362 53.700 54.000 0.103 0.000 0.839 173 D CB 1.393 42.276 40.800 0.137 0.000 1.264 173 D HN 0.154 nan 8.370 nan 0.000 0.511 174 I N 3.265 123.969 120.570 0.224 0.000 2.339 174 I HA 0.260 4.431 4.170 0.001 0.000 0.290 174 I C -0.280 175.993 176.117 0.260 0.000 0.994 174 I CA -0.684 60.793 61.300 0.296 0.000 1.191 174 I CB 1.127 39.313 38.000 0.309 0.000 1.343 174 I HN 0.459 nan 8.210 nan 0.000 0.458 175 D N 7.375 127.938 120.400 0.271 0.000 2.458 175 D HA 0.099 4.740 4.640 0.001 0.000 0.258 175 D C -1.170 175.177 176.300 0.078 0.000 1.134 175 D CA -0.268 53.851 54.000 0.198 0.000 0.915 175 D CB 0.484 41.444 40.800 0.268 0.000 1.028 175 D HN 0.379 nan 8.370 nan 0.000 0.508 176 W N 4.266 125.331 121.300 -0.391 0.000 2.283 176 W HA 0.389 5.050 4.660 0.001 0.000 0.317 176 W C -0.912 175.357 176.519 -0.417 0.000 1.042 176 W CA -1.048 55.894 57.345 -0.673 0.000 1.348 176 W CB 0.408 28.986 29.460 -1.469 0.000 1.216 176 W HN 0.255 nan 8.180 nan 0.000 0.404 177 E N 6.519 126.673 120.200 -0.077 0.000 2.173 177 E HA 0.276 4.626 4.350 0.001 0.000 0.249 177 E C -1.485 174.862 176.600 -0.422 0.000 0.923 177 E CA -0.375 55.538 56.400 -0.813 0.000 0.754 177 E CB 1.028 30.206 29.700 -0.870 0.000 1.177 177 E HN 0.264 nan 8.360 nan 0.000 0.430 178 Y N 0.288 120.681 120.300 0.155 0.000 2.571 178 Y HA 0.295 4.845 4.550 0.001 0.000 0.341 178 Y C -2.487 173.281 175.900 -0.220 0.000 1.076 178 Y CA -2.897 55.190 58.100 -0.022 0.000 1.029 178 Y CB 1.267 39.720 38.460 -0.012 0.000 1.308 178 Y HN 0.298 nan 8.280 nan 0.000 0.461 179 P HA 0.059 nan 4.420 nan 0.000 0.262 179 P C -0.139 177.070 177.300 -0.150 0.000 1.182 179 P CA 0.547 63.275 63.100 -0.620 0.000 0.761 179 P CB 0.656 31.880 31.700 -0.794 0.000 0.795 180 E N 1.738 121.924 120.200 -0.024 0.000 2.364 180 E HA 0.001 4.351 4.350 0.001 0.000 0.196 180 E C 0.390 176.990 176.600 0.000 0.000 0.990 180 E CA 0.372 56.786 56.400 0.024 0.000 0.886 180 E CB 0.074 29.819 29.700 0.075 0.000 0.866 180 E HN 0.576 nan 8.360 nan 0.000 0.493 181 N N -1.174 117.514 118.700 -0.020 0.000 3.039 181 N HA 0.019 4.760 4.740 0.001 0.000 0.257 181 N C -0.189 175.297 175.510 -0.040 0.000 1.497 181 N CA -0.589 52.454 53.050 -0.013 0.000 0.861 181 N CB 0.430 38.927 38.487 0.016 0.000 1.479 181 N HN -0.284 nan 8.380 nan 0.000 0.547 182 D N -1.075 119.322 120.400 -0.005 0.000 2.149 182 D HA -0.191 4.449 4.640 0.001 0.000 0.198 182 D C 1.479 177.772 176.300 -0.011 0.000 0.990 182 D CA 1.590 55.596 54.000 0.011 0.000 0.839 182 D CB 0.226 41.080 40.800 0.089 0.000 0.948 182 D HN 0.575 nan 8.370 nan 0.000 0.460 183 Q N 0.314 120.125 119.800 0.018 0.000 2.050 183 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 183 Q C 2.091 178.105 176.000 0.024 0.000 0.980 183 Q CA 1.682 57.506 55.803 0.034 0.000 0.840 183 Q CB -0.253 28.513 28.738 0.048 0.000 0.898 183 Q HN 0.418 nan 8.270 nan 0.000 0.424 184 Q N -0.763 119.047 119.800 0.017 0.000 2.124 184 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 184 Q C 2.034 177.953 176.000 -0.136 0.000 0.977 184 Q CA 1.328 57.152 55.803 0.035 0.000 0.850 184 Q CB -0.275 28.498 28.738 0.058 0.000 0.901 184 Q HN 0.513 nan 8.270 nan 0.000 0.429 185 A N 1.461 124.134 122.820 -0.246 0.000 1.902 185 A HA -0.216 4.104 4.320 0.001 0.000 0.217 185 A C 1.825 179.185 177.584 -0.373 0.000 1.181 185 A CA 1.486 53.274 52.037 -0.415 0.000 0.623 185 A CB -0.487 18.114 19.000 -0.665 0.000 0.818 185 A HN 0.299 nan 8.150 nan 0.000 0.443 186 N N 0.413 118.964 118.700 -0.247 0.000 2.084 186 N HA -0.137 4.603 4.740 0.001 0.000 0.190 186 N C 1.138 176.680 175.510 0.052 0.000 1.030 186 N CA 1.607 54.650 53.050 -0.011 0.000 0.849 186 N CB -0.438 38.105 38.487 0.094 0.000 1.012 186 N HN 0.427 nan 8.380 nan 0.000 0.423 187 D N 0.471 120.918 120.400 0.078 0.000 2.144 187 D HA -0.137 4.503 4.640 0.001 0.000 0.199 187 D C 1.734 178.165 176.300 0.217 0.000 0.984 187 D CA 0.425 54.509 54.000 0.139 0.000 0.834 187 D CB -0.412 40.492 40.800 0.172 0.000 0.955 187 D HN 0.132 nan 8.370 nan 0.000 0.465 188 F N 1.766 121.719 119.950 0.005 0.000 2.095 188 F HA -0.188 4.339 4.527 0.001 0.000 0.298 188 F C 2.266 178.030 175.800 -0.060 0.000 1.104 188 F CA 0.577 58.566 58.000 -0.018 0.000 1.232 188 F CB -0.758 38.059 39.000 -0.306 0.000 0.987 188 F HN -0.205 nan 8.300 nan 0.000 0.475 189 V N 0.796 120.745 119.914 0.059 0.000 2.287 189 V HA -0.328 3.792 4.120 0.001 0.000 0.248 189 V C 2.706 178.819 176.094 0.032 0.000 1.053 189 V CA 1.928 64.210 62.300 -0.029 0.000 1.027 189 V CB -0.841 30.990 31.823 0.013 0.000 0.646 189 V HN 0.315 nan 8.190 nan 0.000 0.447 190 L N -0.850 120.415 121.223 0.069 0.000 2.042 190 L HA -0.221 4.120 4.340 0.001 0.000 0.210 190 L C 2.505 179.412 176.870 0.061 0.000 1.076 190 L CA 1.440 56.318 54.840 0.064 0.000 0.749 190 L CB -0.692 41.409 42.059 0.069 0.000 0.893 190 L HN 0.358 nan 8.230 nan 0.000 0.432 191 L N -0.003 121.268 121.223 0.080 0.000 2.012 191 L HA -0.222 4.119 4.340 0.001 0.000 0.210 191 L C 2.361 179.251 176.870 0.033 0.000 1.073 191 L CA 1.747 56.601 54.840 0.023 0.000 0.748 191 L CB -0.468 41.579 42.059 -0.020 0.000 0.891 191 L HN 0.100 nan 8.230 nan 0.000 0.431 192 L N -0.781 120.476 121.223 0.056 0.000 2.046 192 L HA -0.247 4.094 4.340 0.001 0.000 0.208 192 L C 2.622 179.507 176.870 0.025 0.000 1.077 192 L CA 1.517 56.364 54.840 0.012 0.000 0.747 192 L CB -0.612 41.380 42.059 -0.111 0.000 0.896 192 L HN 0.276 nan 8.230 nan 0.000 0.432 193 K N -0.355 120.062 120.400 0.027 0.000 2.026 193 K HA -0.176 4.145 4.320 0.001 0.000 0.208 193 K C 2.082 178.720 176.600 0.063 0.000 1.048 193 K CA 1.172 57.485 56.287 0.042 0.000 0.929 193 K CB -0.097 32.428 32.500 0.042 0.000 0.713 193 K HN 0.226 nan 8.250 nan 0.000 0.439 194 E N 0.623 120.865 120.200 0.070 0.000 2.085 194 E HA -0.157 4.194 4.350 0.001 0.000 0.194 194 E C 2.192 178.861 176.600 0.116 0.000 0.994 194 E CA 1.008 57.462 56.400 0.090 0.000 0.801 194 E CB -0.348 29.409 29.700 0.094 0.000 0.743 194 E HN 0.078 nan 8.360 nan 0.000 0.453 195 V N 1.337 121.329 119.914 0.129 0.000 2.358 195 V HA -0.232 3.888 4.120 0.001 0.000 0.246 195 V C 2.515 178.686 176.094 0.129 0.000 1.047 195 V CA 1.787 64.184 62.300 0.161 0.000 1.035 195 V CB -0.497 31.447 31.823 0.201 0.000 0.658 195 V HN 0.110 nan 8.190 nan 0.000 0.452 196 R N 0.775 121.336 120.500 0.103 0.000 2.083 196 R HA -0.155 4.185 4.340 0.001 0.000 0.237 196 R C 2.306 178.676 176.300 0.117 0.000 1.137 196 R CA 2.514 58.674 56.100 0.101 0.000 0.951 196 R CB -1.290 29.058 30.300 0.080 0.000 0.851 196 R HN 0.530 nan 8.270 nan 0.000 0.434 197 T N 0.282 114.899 114.554 0.106 0.000 2.684 197 T HA -0.132 4.218 4.350 0.001 0.000 0.267 197 T C 1.798 176.572 174.700 0.123 0.000 1.036 197 T CA 1.634 63.796 62.100 0.105 0.000 1.148 197 T CB -0.589 68.332 68.868 0.089 0.000 0.863 197 T HN 0.441 nan 8.240 nan 0.000 0.436 198 A N 1.068 123.965 122.820 0.130 0.000 1.933 198 A HA 0.017 4.338 4.320 0.001 0.000 0.218 198 A C 2.332 180.028 177.584 0.187 0.000 1.175 198 A CA 1.172 53.295 52.037 0.144 0.000 0.628 198 A CB -0.862 18.216 19.000 0.130 0.000 0.814 198 A HN 0.466 nan 8.150 nan 0.000 0.444 199 L N -0.467 120.868 121.223 0.187 0.000 2.017 199 L HA -0.209 4.132 4.340 0.001 0.000 0.208 199 L C 2.192 179.261 176.870 0.332 0.000 1.073 199 L CA 1.579 56.575 54.840 0.260 0.000 0.745 199 L CB -0.656 41.536 42.059 0.222 0.000 0.894 199 L HN 0.339 nan 8.230 nan 0.000 0.432 200 D N -0.838 119.698 120.400 0.227 0.000 2.097 200 D HA -0.191 4.450 4.640 0.001 0.000 0.195 200 D C 2.319 178.717 176.300 0.163 0.000 0.989 200 D CA 1.635 55.746 54.000 0.186 0.000 0.827 200 D CB -0.184 40.700 40.800 0.140 0.000 0.966 200 D HN 0.179 nan 8.370 nan 0.000 0.456 201 S N -0.277 115.517 115.700 0.157 0.000 2.353 201 S HA -0.258 4.213 4.470 0.001 0.000 0.222 201 S C 2.140 176.819 174.600 0.133 0.000 1.035 201 S CA 1.176 59.451 58.200 0.126 0.000 1.025 201 S CB -0.638 62.637 63.200 0.125 0.000 0.902 201 S HN 0.344 nan 8.310 nan 0.000 0.440 202 Y N 1.731 122.099 120.300 0.113 0.000 2.207 202 Y HA -0.071 4.480 4.550 0.001 0.000 0.287 202 Y C 2.769 178.771 175.900 0.171 0.000 1.156 202 Y CA 1.946 60.116 58.100 0.118 0.000 1.182 202 Y CB -0.975 37.544 38.460 0.099 0.000 0.979 202 Y HN 0.394 nan 8.280 nan 0.000 0.521 203 S N -0.059 115.714 115.700 0.122 0.000 2.368 203 S HA -0.147 4.324 4.470 0.001 0.000 0.224 203 S C 2.305 176.853 174.600 -0.087 0.000 1.029 203 S CA 1.151 59.388 58.200 0.061 0.000 0.988 203 S CB -0.875 62.422 63.200 0.163 0.000 0.838 203 S HN 0.656 nan 8.310 nan 0.000 0.462 204 A N 1.435 124.236 122.820 -0.032 0.000 1.892 204 A HA 0.068 4.389 4.320 0.001 0.000 0.218 204 A C 2.457 179.993 177.584 -0.079 0.000 1.188 204 A CA 2.133 54.147 52.037 -0.038 0.000 0.631 204 A CB -1.409 17.590 19.000 -0.000 0.000 0.822 204 A HN 0.793 nan 8.150 nan 0.000 0.447 205 A N -0.689 122.063 122.820 -0.112 0.000 1.930 205 A HA -0.035 4.286 4.320 0.001 0.000 0.215 205 A C 1.490 178.957 177.584 -0.196 0.000 1.176 205 A CA 1.623 53.584 52.037 -0.127 0.000 0.632 205 A CB -0.321 18.624 19.000 -0.091 0.000 0.819 205 A HN 0.638 nan 8.150 nan 0.000 0.445 206 N N -2.079 116.396 118.700 -0.376 0.000 2.160 206 N HA 0.438 5.178 4.740 0.001 0.000 0.226 206 N C 0.177 175.520 175.510 -0.278 0.000 1.256 206 N CA 0.642 53.477 53.050 -0.359 0.000 0.890 206 N CB 1.226 39.435 38.487 -0.465 0.000 1.116 206 N HN 0.342 nan 8.380 nan 0.000 0.517 207 A N 0.082 122.772 122.820 -0.218 0.000 2.622 207 A HA 0.612 4.933 4.320 0.001 0.000 0.283 207 A C 1.112 178.625 177.584 -0.118 0.000 0.998 207 A CA 0.038 52.005 52.037 -0.117 0.000 0.985 207 A CB -0.332 18.679 19.000 0.019 0.000 1.236 207 A HN 0.141 nan 8.150 nan 0.000 0.559 208 G N -0.394 108.344 108.800 -0.104 0.000 2.305 208 G HA2 0.135 4.096 3.960 0.001 0.000 0.287 208 G HA3 0.135 4.096 3.960 0.001 0.000 0.287 208 G C 1.573 176.425 174.900 -0.080 0.000 1.036 208 G CA 1.036 46.088 45.100 -0.079 0.000 0.887 208 G HN 2.211 nan 8.290 nan 0.000 0.505 209 G N -1.557 107.192 108.800 -0.084 0.000 2.162 209 G HA2 -0.135 3.825 3.960 0.001 0.000 0.260 209 G HA3 -0.135 3.825 3.960 0.001 0.000 0.260 209 G C 0.514 175.342 174.900 -0.120 0.000 0.976 209 G CA 1.252 46.311 45.100 -0.068 0.000 0.655 209 G HN 1.991 nan 8.290 nan 0.000 0.533 210 Q N 0.278 119.944 119.800 -0.225 0.000 2.310 210 Q HA 0.234 4.575 4.340 0.001 0.000 0.315 210 Q C 0.296 176.020 176.000 -0.461 0.000 1.081 210 Q CA 0.381 55.966 55.803 -0.363 0.000 0.981 210 Q CB 0.151 28.552 28.738 -0.563 0.000 1.184 210 Q HN 0.651 nan 8.270 nan 0.000 0.389 211 H N 4.524 123.383 119.070 -0.350 0.000 2.846 211 H HA 0.285 4.842 4.556 0.001 0.000 0.278 211 H C -1.179 174.021 175.328 -0.215 0.000 1.117 211 H CA -0.449 55.470 56.048 -0.215 0.000 1.406 211 H CB -0.191 29.533 29.762 -0.063 0.000 1.445 211 H HN 0.455 nan 8.280 nan 0.000 0.469 212 F N 4.627 124.405 119.950 -0.286 0.000 2.389 212 F HA 0.213 4.740 4.527 0.001 0.000 0.337 212 F C 0.171 175.739 175.800 -0.386 0.000 1.112 212 F CA -0.628 57.263 58.000 -0.182 0.000 1.192 212 F CB 0.584 39.586 39.000 0.004 0.000 1.185 212 F HN 0.395 nan 8.300 nan 0.000 0.552 213 L N 3.370 124.632 121.223 0.065 0.000 2.399 213 L HA 0.484 4.825 4.340 0.001 0.000 0.266 213 L C -0.780 176.084 176.870 -0.010 0.000 1.114 213 L CA -0.820 54.026 54.840 0.009 0.000 0.804 213 L CB 1.130 43.260 42.059 0.118 0.000 1.146 213 L HN 0.411 nan 8.230 nan 0.000 0.451 214 L N 2.250 123.433 121.223 -0.067 0.000 2.441 214 L HA 0.624 4.965 4.340 0.001 0.000 0.270 214 L C -0.271 176.459 176.870 -0.233 0.000 0.973 214 L CA 0.182 54.969 54.840 -0.088 0.000 0.842 214 L CB 1.850 43.890 42.059 -0.032 0.000 1.239 214 L HN 0.778 nan 8.230 nan 0.000 0.406 215 T N 1.861 116.243 114.554 -0.288 0.000 2.838 215 T HA 0.911 5.262 4.350 0.001 0.000 0.292 215 T C -0.586 173.970 174.700 -0.239 0.000 1.113 215 T CA -0.216 61.621 62.100 -0.437 0.000 1.008 215 T CB 1.686 70.106 68.868 -0.748 0.000 1.259 215 T HN 0.997 nan 8.240 nan 0.000 0.520 216 V N -2.183 117.590 119.914 -0.235 0.000 3.007 216 V HA 0.969 5.089 4.120 0.001 0.000 0.311 216 V C -0.319 175.844 176.094 0.115 0.000 1.120 216 V CA -1.356 60.919 62.300 -0.042 0.000 0.980 216 V CB 1.258 32.986 31.823 -0.158 0.000 1.033 216 V HN 1.505 nan 8.190 nan 0.000 0.429 217 A N 2.549 125.512 122.820 0.239 0.000 2.260 217 A HA 0.841 5.162 4.320 0.001 0.000 0.308 217 A C 0.379 178.130 177.584 0.278 0.000 1.254 217 A CA 0.142 52.356 52.037 0.296 0.000 0.874 217 A CB 0.225 19.409 19.000 0.306 0.000 1.153 217 A HN 1.797 nan 8.150 nan 0.000 0.527 218 S N 3.107 118.990 115.700 0.307 0.000 2.578 218 S HA 0.822 5.292 4.470 0.001 0.000 0.301 218 S C -2.882 171.917 174.600 0.332 0.000 1.091 218 S CA -1.651 56.785 58.200 0.393 0.000 1.032 218 S CB 1.737 65.300 63.200 0.604 0.000 1.064 218 S HN 0.550 nan 8.310 nan 0.000 0.508 219 P HA 0.300 nan 4.420 nan 0.000 0.275 219 P C 0.031 177.431 177.300 0.167 0.000 1.228 219 P CA -0.416 62.799 63.100 0.192 0.000 0.786 219 P CB 1.226 32.912 31.700 -0.023 0.000 0.927 220 A N 2.728 125.572 122.820 0.041 0.000 2.197 220 A HA 0.312 4.632 4.320 0.001 0.000 0.210 220 A C 1.333 178.876 177.584 -0.067 0.000 1.180 220 A CA 0.473 52.549 52.037 0.065 0.000 0.846 220 A CB -0.661 18.437 19.000 0.163 0.000 0.884 220 A HN 0.628 nan 8.150 nan 0.000 0.487 221 G N 0.701 109.382 108.800 -0.198 0.000 2.364 221 G HA2 0.414 4.375 3.960 0.001 0.000 0.267 221 G HA3 0.414 4.375 3.960 0.001 0.000 0.267 221 G C -1.505 173.350 174.900 -0.076 0.000 1.233 221 G CA -0.805 44.189 45.100 -0.177 0.000 0.885 221 G HN 0.058 nan 8.290 nan 0.000 0.490 222 P HA -0.147 nan 4.420 nan 0.000 0.215 222 P C 1.329 178.594 177.300 -0.059 0.000 1.157 222 P CA 1.080 64.158 63.100 -0.036 0.000 0.874 222 P CB 0.338 32.036 31.700 -0.003 0.000 0.790 223 D N -0.734 119.648 120.400 -0.029 0.000 2.149 223 D HA -0.150 4.491 4.640 0.001 0.000 0.198 223 D C 1.771 178.021 176.300 -0.082 0.000 0.990 223 D CA 1.316 55.291 54.000 -0.042 0.000 0.839 223 D CB -0.274 40.520 40.800 -0.011 0.000 0.948 223 D HN 0.134 nan 8.370 nan 0.000 0.460 224 K N 0.370 120.687 120.400 -0.139 0.000 2.076 224 K HA 0.089 4.410 4.320 0.001 0.000 0.204 224 K C 2.191 178.708 176.600 -0.138 0.000 1.051 224 K CA 0.190 56.367 56.287 -0.182 0.000 0.949 224 K CB -0.273 31.992 32.500 -0.391 0.000 0.726 224 K HN 0.147 nan 8.250 nan 0.000 0.443 225 I N 1.019 121.494 120.570 -0.159 0.000 2.208 225 I HA -0.351 3.819 4.170 0.001 0.000 0.245 225 I C 1.743 177.751 176.117 -0.181 0.000 1.097 225 I CA 1.427 62.593 61.300 -0.222 0.000 1.363 225 I CB -0.211 37.575 38.000 -0.356 0.000 1.051 225 I HN 0.130 nan 8.210 nan 0.000 0.413 226 K N 0.173 120.493 120.400 -0.134 0.000 2.280 226 K HA -0.106 4.215 4.320 0.001 0.000 0.202 226 K C 1.899 178.470 176.600 -0.048 0.000 1.047 226 K CA 0.896 57.130 56.287 -0.089 0.000 0.942 226 K CB -0.056 32.404 32.500 -0.068 0.000 0.739 226 K HN 0.211 nan 8.250 nan 0.000 0.457 227 V N 1.661 121.541 119.914 -0.057 0.000 2.591 227 V HA -0.084 4.036 4.120 0.001 0.000 0.249 227 V C 1.188 177.249 176.094 -0.054 0.000 1.053 227 V CA 0.792 63.063 62.300 -0.047 0.000 1.068 227 V CB -0.360 31.418 31.823 -0.075 0.000 0.689 227 V HN 0.208 nan 8.190 nan 0.000 0.462 228 L N 0.221 121.413 121.223 -0.052 0.000 2.452 228 L HA 0.181 4.522 4.340 0.001 0.000 0.267 228 L C 0.247 177.180 176.870 0.105 0.000 1.188 228 L CA 0.127 54.945 54.840 -0.035 0.000 0.821 228 L CB -0.057 42.017 42.059 0.024 0.000 1.102 228 L HN 0.308 nan 8.230 nan 0.000 0.470 229 H N 3.556 122.616 119.070 -0.016 0.000 2.702 229 H HA 0.173 4.729 4.556 0.001 0.000 0.252 229 H C 0.808 176.161 175.328 0.041 0.000 1.493 229 H CA -0.599 55.446 56.048 -0.006 0.000 1.273 229 H CB 0.694 30.448 29.762 -0.014 0.000 1.537 229 H HN 0.575 nan 8.280 nan 0.000 0.547 230 L N 1.356 122.679 121.223 0.166 0.000 1.990 230 L HA -0.253 4.087 4.340 0.001 0.000 0.213 230 L C 2.213 179.218 176.870 0.226 0.000 1.072 230 L CA 1.593 56.552 54.840 0.199 0.000 0.755 230 L CB -0.282 41.776 42.059 -0.002 0.000 0.889 230 L HN 0.503 nan 8.230 nan 0.000 0.432 231 K N -0.244 120.228 120.400 0.119 0.000 2.057 231 K HA -0.157 4.163 4.320 0.001 0.000 0.207 231 K C 1.787 178.455 176.600 0.113 0.000 1.049 231 K CA 1.489 57.840 56.287 0.106 0.000 0.931 231 K CB -0.245 32.283 32.500 0.047 0.000 0.714 231 K HN 0.282 nan 8.250 nan 0.000 0.440 232 D N 0.832 121.290 120.400 0.096 0.000 2.117 232 D HA -0.141 4.499 4.640 0.001 0.000 0.197 232 D C 1.915 178.243 176.300 0.046 0.000 0.987 232 D CA 1.311 55.354 54.000 0.071 0.000 0.829 232 D CB -0.083 40.768 40.800 0.085 0.000 0.961 232 D HN 0.185 nan 8.370 nan 0.000 0.460 233 M N 0.193 119.824 119.600 0.051 0.000 2.099 233 M HA -0.160 4.321 4.480 0.001 0.000 0.262 233 M C 1.878 178.164 176.300 -0.022 0.000 1.067 233 M CA 1.270 56.511 55.300 -0.099 0.000 1.124 233 M CB -0.190 32.299 32.600 -0.186 0.000 1.353 233 M HN -0.139 nan 8.290 nan 0.000 0.410 234 D N 0.071 120.643 120.400 0.287 0.000 2.221 234 D HA -0.222 4.419 4.640 0.001 0.000 0.204 234 D C 1.977 178.375 176.300 0.164 0.000 0.982 234 D CA 1.216 55.440 54.000 0.373 0.000 0.857 234 D CB -0.013 41.070 40.800 0.473 0.000 0.934 234 D HN 0.331 nan 8.370 nan 0.000 0.475 235 Q N -0.987 118.875 119.800 0.102 0.000 2.291 235 Q HA -0.123 4.217 4.340 0.001 0.000 0.205 235 Q C 1.128 177.153 176.000 0.043 0.000 0.970 235 Q CA 0.812 56.656 55.803 0.069 0.000 0.876 235 Q CB 0.211 28.981 28.738 0.053 0.000 0.935 235 Q HN 0.350 nan 8.270 nan 0.000 0.455 236 Q N -0.638 119.162 119.800 -0.001 0.000 2.319 236 Q HA 0.211 4.552 4.340 0.001 0.000 0.209 236 Q C 0.026 176.001 176.000 -0.042 0.000 0.884 236 Q CA 0.217 56.010 55.803 -0.018 0.000 0.938 236 Q CB 0.706 29.411 28.738 -0.056 0.000 1.098 236 Q HN 0.287 nan 8.270 nan 0.000 0.517 237 L N 0.434 121.613 121.223 -0.073 0.000 2.334 237 L HA 0.327 4.667 4.340 0.001 0.000 0.272 237 L C 0.949 177.828 176.870 0.015 0.000 1.020 237 L CA -0.544 54.219 54.840 -0.129 0.000 0.812 237 L CB 1.346 43.161 42.059 -0.407 0.000 1.264 237 L HN -0.154 nan 8.230 nan 0.000 0.439 238 D N 1.200 121.606 120.400 0.011 0.000 2.216 238 D HA 0.085 4.725 4.640 0.001 0.000 0.208 238 D C -0.270 176.239 176.300 0.349 0.000 0.960 238 D CA 1.406 55.519 54.000 0.188 0.000 0.861 238 D CB 0.582 41.514 40.800 0.220 0.000 0.985 238 D HN 0.343 nan 8.370 nan 0.000 0.493 239 F N -2.349 117.626 119.950 0.042 0.000 2.807 239 F HA 0.486 5.014 4.527 0.001 0.000 0.316 239 F C -2.215 173.632 175.800 0.077 0.000 1.162 239 F CA -1.654 56.424 58.000 0.129 0.000 0.910 239 F CB 0.474 39.516 39.000 0.070 0.000 1.314 239 F HN -0.344 nan 8.300 nan 0.000 0.454 240 W N 1.627 123.058 121.300 0.217 0.000 2.532 240 W HA 0.527 5.188 4.660 0.001 0.000 0.321 240 W C -0.770 175.833 176.519 0.140 0.000 1.037 240 W CA -0.774 56.623 57.345 0.086 0.000 1.220 240 W CB 1.493 30.930 29.460 -0.038 0.000 1.361 240 W HN 0.316 nan 8.180 nan 0.000 0.468 241 N N 3.849 122.763 118.700 0.356 0.000 2.558 241 N HA 0.152 4.893 4.740 0.001 0.000 0.233 241 N C -0.931 174.717 175.510 0.230 0.000 1.038 241 N CA -0.487 52.755 53.050 0.320 0.000 0.934 241 N CB 1.084 39.817 38.487 0.409 0.000 1.175 241 N HN 0.352 nan 8.380 nan 0.000 0.512 242 L N 2.600 123.887 121.223 0.106 0.000 2.418 242 L HA 0.191 4.532 4.340 0.001 0.000 0.274 242 L C 0.542 177.367 176.870 -0.074 0.000 1.135 242 L CA 0.330 55.169 54.840 -0.002 0.000 0.870 242 L CB 0.272 42.262 42.059 -0.115 0.000 1.154 242 L HN 0.409 nan 8.230 nan 0.000 0.462 243 M N 6.390 125.895 119.600 -0.158 0.000 3.436 243 M HA 0.211 4.691 4.480 0.001 0.000 0.240 243 M C 0.715 176.547 176.300 -0.781 0.000 1.469 243 M CA -0.080 54.831 55.300 -0.650 0.000 1.622 243 M CB 0.030 32.389 32.600 -0.401 0.000 1.098 243 M HN 0.787 nan 8.290 nan 0.000 0.568 244 A N 3.101 125.558 122.820 -0.606 0.000 3.051 244 A HA 0.366 4.686 4.320 0.001 0.000 0.257 244 A C -0.669 176.588 177.584 -0.546 0.000 1.785 244 A CA -0.092 51.759 52.037 -0.311 0.000 1.420 244 A CB -1.010 17.945 19.000 -0.074 0.000 1.063 244 A HN 0.740 nan 8.150 nan 0.000 0.630 245 Y N -4.555 115.475 120.300 -0.449 0.000 2.871 245 Y HA 0.511 5.062 4.550 0.001 0.000 0.331 245 Y C -0.248 175.479 175.900 -0.288 0.000 1.378 245 Y CA -1.780 56.012 58.100 -0.514 0.000 1.079 245 Y CB 0.160 38.522 38.460 -0.164 0.000 1.441 245 Y HN 0.176 nan 8.280 nan 0.000 0.446 246 D N -0.637 119.900 120.400 0.228 0.000 2.837 246 D HA -0.204 4.436 4.640 0.001 0.000 0.230 246 D C 0.316 176.867 176.300 0.419 0.000 1.152 246 D CA 1.068 55.276 54.000 0.346 0.000 0.736 246 D CB -1.232 39.728 40.800 0.266 0.000 1.084 246 D HN 0.637 nan 8.370 nan 0.000 0.429 247 Y N -0.721 119.742 120.300 0.272 0.000 2.439 247 Y HA 0.287 4.838 4.550 0.001 0.000 0.292 247 Y C 1.670 177.864 175.900 0.490 0.000 1.130 247 Y CA 0.726 58.994 58.100 0.279 0.000 1.254 247 Y CB 0.164 38.814 38.460 0.317 0.000 1.000 247 Y HN 0.251 nan 8.280 nan 0.000 0.554 248 A N -1.402 121.750 122.820 0.554 0.000 2.549 248 A HA 0.816 5.137 4.320 0.001 0.000 0.297 248 A C 0.155 177.736 177.584 -0.005 0.000 1.061 248 A CA 0.058 52.264 52.037 0.282 0.000 0.690 248 A CB 1.303 20.452 19.000 0.248 0.000 1.287 248 A HN 0.271 nan 8.150 nan 0.000 0.402 249 G N -0.722 107.698 108.800 -0.633 0.000 2.364 249 G HA2 0.512 4.473 3.960 0.001 0.000 0.286 249 G HA3 0.512 4.473 3.960 0.001 0.000 0.286 249 G C 0.822 175.288 174.900 -0.722 0.000 1.241 249 G CA 0.773 45.392 45.100 -0.801 0.000 0.887 249 G HN 1.771 nan 8.290 nan 0.000 0.484 250 S N -0.405 115.027 115.700 -0.447 0.000 2.469 250 S HA -0.043 4.428 4.470 0.001 0.000 0.238 250 S C 1.889 176.526 174.600 0.062 0.000 0.998 250 S CA 2.065 60.247 58.200 -0.030 0.000 0.957 250 S CB -0.626 62.615 63.200 0.067 0.000 0.764 250 S HN 1.049 nan 8.310 nan 0.000 0.514 251 F N 1.262 121.319 119.950 0.178 0.000 2.797 251 F HA 0.507 5.035 4.527 0.001 0.000 0.302 251 F C 0.517 176.440 175.800 0.206 0.000 1.130 251 F CA -0.954 57.141 58.000 0.158 0.000 1.387 251 F CB -0.783 38.275 39.000 0.095 0.000 1.107 251 F HN -0.037 nan 8.300 nan 0.000 0.577 252 S N 0.237 115.910 115.700 -0.044 0.000 2.616 252 S HA 0.222 4.693 4.470 0.001 0.000 0.277 252 S C 1.107 175.846 174.600 0.231 0.000 1.234 252 S CA -0.393 57.878 58.200 0.117 0.000 1.028 252 S CB 1.730 64.932 63.200 0.004 0.000 0.988 252 S HN 0.230 nan 8.310 nan 0.000 0.522 253 S N 1.101 116.897 115.700 0.160 0.000 2.383 253 S HA 0.089 4.559 4.470 0.001 0.000 0.227 253 S C 0.489 175.183 174.600 0.156 0.000 1.026 253 S CA 0.866 59.135 58.200 0.114 0.000 0.981 253 S CB -0.286 62.945 63.200 0.052 0.000 0.818 253 S HN 0.484 nan 8.310 nan 0.000 0.472 254 L N 0.514 121.823 121.223 0.143 0.000 2.327 254 L HA 0.449 4.790 4.340 0.001 0.000 0.258 254 L C 0.163 176.916 176.870 -0.195 0.000 1.024 254 L CA -0.965 53.926 54.840 0.085 0.000 0.825 254 L CB 1.755 43.782 42.059 -0.053 0.000 1.386 254 L HN 0.038 nan 8.230 nan 0.000 0.417 255 S N -0.353 115.061 115.700 -0.477 0.000 2.584 255 S HA 0.717 5.188 4.470 0.001 0.000 0.270 255 S C -0.012 173.977 174.600 -1.018 0.000 1.346 255 S CA 0.149 57.474 58.200 -1.458 0.000 1.018 255 S CB 1.265 63.765 63.200 -1.168 0.000 0.899 255 S HN 0.951 nan 8.310 nan 0.000 0.542 256 G N 0.348 108.457 108.800 -1.152 0.000 2.495 256 G HA2 0.438 4.398 3.960 0.001 0.000 0.294 256 G HA3 0.438 4.398 3.960 0.001 0.000 0.294 256 G C -1.734 172.907 174.900 -0.430 0.000 1.397 256 G CA -0.954 43.773 45.100 -0.622 0.000 0.790 256 G HN 0.782 nan 8.290 nan 0.000 0.486 257 H N 0.494 119.553 119.070 -0.018 0.000 2.646 257 H HA 0.196 4.753 4.556 0.001 0.000 0.325 257 H C 0.895 176.347 175.328 0.207 0.000 1.075 257 H CA 0.379 56.477 56.048 0.084 0.000 1.421 257 H CB 1.967 31.773 29.762 0.073 0.000 1.461 257 H HN 0.713 nan 8.280 nan 0.000 0.525 258 Q N 1.593 121.563 119.800 0.284 0.000 2.392 258 Q HA 0.310 4.650 4.340 0.001 0.000 0.203 258 Q C 0.551 176.497 176.000 -0.089 0.000 0.917 258 Q CA 0.601 56.537 55.803 0.222 0.000 0.939 258 Q CB 0.859 29.717 28.738 0.200 0.000 1.063 258 Q HN 0.510 nan 8.270 nan 0.000 0.516 259 A N 1.465 124.259 122.820 -0.043 0.000 2.515 259 A HA 0.131 4.452 4.320 0.001 0.000 0.253 259 A C -0.545 177.036 177.584 -0.005 0.000 0.863 259 A CA -0.720 51.139 52.037 -0.297 0.000 1.124 259 A CB -0.253 18.641 19.000 -0.178 0.000 1.214 259 A HN 0.446 nan 8.150 nan 0.000 0.470 260 N N 0.364 119.181 118.700 0.196 0.000 2.441 260 N HA 0.112 4.852 4.740 0.001 0.000 0.251 260 N C 0.841 176.386 175.510 0.059 0.000 1.242 260 N CA 0.271 53.380 53.050 0.099 0.000 0.898 260 N CB 1.351 39.898 38.487 0.101 0.000 1.100 260 N HN -0.052 nan 8.380 nan 0.000 0.443 261 V N 0.860 120.671 119.914 -0.171 0.000 2.535 261 V HA -0.039 4.082 4.120 0.001 0.000 0.246 261 V C -0.024 175.756 176.094 -0.522 0.000 1.045 261 V CA 1.250 63.256 62.300 -0.490 0.000 1.058 261 V CB -0.744 30.479 31.823 -1.000 0.000 0.689 261 V HN 0.600 nan 8.190 nan 0.000 0.461 262 Y N -0.778 119.480 120.300 -0.070 0.000 2.598 262 Y HA 0.377 4.927 4.550 0.001 0.000 0.340 262 Y C 0.418 176.308 175.900 -0.017 0.000 1.038 262 Y CA -1.544 56.534 58.100 -0.036 0.000 1.100 262 Y CB 0.580 39.014 38.460 -0.043 0.000 1.281 262 Y HN -0.059 nan 8.280 nan 0.000 0.488 263 N N 1.394 120.198 118.700 0.172 0.000 2.518 263 N HA -0.075 4.665 4.740 0.001 0.000 0.266 263 N C -1.198 174.350 175.510 0.064 0.000 1.196 263 N CA -0.044 53.054 53.050 0.081 0.000 0.947 263 N CB 0.621 39.134 38.487 0.044 0.000 1.098 263 N HN 0.687 nan 8.380 nan 0.000 0.450 264 D N 2.554 122.980 120.400 0.044 0.000 2.441 264 D HA 0.118 4.759 4.640 0.001 0.000 0.221 264 D C 0.766 177.070 176.300 0.007 0.000 1.156 264 D CA -0.231 53.785 54.000 0.026 0.000 0.896 264 D CB 0.677 41.501 40.800 0.041 0.000 1.028 264 D HN 0.478 nan 8.370 nan 0.000 0.509 265 T N 1.002 115.554 114.554 -0.003 0.000 2.759 265 T HA -0.181 4.170 4.350 0.001 0.000 0.269 265 T C 1.849 176.539 174.700 -0.016 0.000 1.042 265 T CA 1.687 63.779 62.100 -0.013 0.000 1.140 265 T CB -0.040 68.817 68.868 -0.019 0.000 0.864 265 T HN 0.488 nan 8.240 nan 0.000 0.455 266 S N 0.746 116.437 115.700 -0.015 0.000 2.522 266 S HA 0.070 4.541 4.470 0.001 0.000 0.227 266 S C 0.942 175.530 174.600 -0.021 0.000 0.986 266 S CA 0.216 58.406 58.200 -0.018 0.000 0.929 266 S CB -0.086 63.104 63.200 -0.017 0.000 0.769 266 S HN 0.363 nan 8.310 nan 0.000 0.529 267 N N 1.116 119.806 118.700 -0.016 0.000 2.700 267 N HA 0.278 5.018 4.740 0.001 0.000 0.242 267 N C -2.481 173.016 175.510 -0.021 0.000 1.541 267 N CA -1.672 51.362 53.050 -0.026 0.000 0.764 267 N CB 1.230 39.701 38.487 -0.026 0.000 1.319 267 N HN 0.017 nan 8.380 nan 0.000 0.518 268 P HA -0.107 nan 4.420 nan 0.000 0.221 268 P C 1.372 178.641 177.300 -0.052 0.000 1.145 268 P CA 0.648 63.728 63.100 -0.033 0.000 0.795 268 P CB 0.624 32.300 31.700 -0.040 0.000 0.775 269 L N 0.279 121.464 121.223 -0.064 0.000 2.291 269 L HA -0.075 4.265 4.340 0.001 0.000 0.214 269 L C 2.592 179.396 176.870 -0.110 0.000 1.120 269 L CA 1.662 56.451 54.840 -0.085 0.000 0.799 269 L CB -0.841 41.166 42.059 -0.086 0.000 0.925 269 L HN 0.129 nan 8.230 nan 0.000 0.446 270 S N -1.933 113.704 115.700 -0.104 0.000 2.527 270 S HA -0.039 4.431 4.470 0.001 0.000 0.222 270 S C 1.116 175.704 174.600 -0.020 0.000 0.985 270 S CA 0.407 58.508 58.200 -0.165 0.000 0.921 270 S CB -0.377 62.712 63.200 -0.185 0.000 0.772 270 S HN 0.429 nan 8.310 nan 0.000 0.529 271 T N -0.438 114.138 114.554 0.036 0.000 3.401 271 T HA 0.456 4.807 4.350 0.001 0.000 0.341 271 T C -1.904 172.782 174.700 -0.024 0.000 1.674 271 T CA -1.495 60.658 62.100 0.088 0.000 1.600 271 T CB 1.283 70.219 68.868 0.112 0.000 0.974 271 T HN 0.029 nan 8.240 nan 0.000 0.672 272 P HA 0.056 nan 4.420 nan 0.000 0.222 272 P C -0.294 176.603 177.300 -0.672 0.000 1.147 272 P CA 0.568 63.477 63.100 -0.319 0.000 0.790 272 P CB -0.003 31.562 31.700 -0.226 0.000 0.780 273 F N -0.158 119.705 119.950 -0.146 0.000 2.650 273 F HA 0.425 4.953 4.527 0.001 0.000 0.320 273 F C 0.100 175.672 175.800 -0.380 0.000 1.091 273 F CA -0.861 56.905 58.000 -0.391 0.000 0.962 273 F CB 1.457 39.945 39.000 -0.854 0.000 1.363 273 F HN -0.177 nan 8.300 nan 0.000 0.482 274 N N -2.659 115.927 118.700 -0.189 0.000 2.504 274 N HA 0.312 5.052 4.740 0.001 0.000 0.268 274 N C -0.733 174.754 175.510 -0.038 0.000 1.184 274 N CA -0.690 52.327 53.050 -0.055 0.000 0.875 274 N CB 1.624 40.117 38.487 0.010 0.000 1.630 274 N HN 0.366 nan 8.380 nan 0.000 0.486 275 T N -0.138 114.456 114.554 0.066 0.000 2.867 275 T HA -0.185 4.166 4.350 0.001 0.000 0.268 275 T C 1.426 176.154 174.700 0.047 0.000 1.057 275 T CA 1.622 63.774 62.100 0.086 0.000 1.136 275 T CB -0.265 68.637 68.868 0.056 0.000 0.874 275 T HN 0.621 nan 8.240 nan 0.000 0.466 276 Q N 1.226 121.009 119.800 -0.027 0.000 2.061 276 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 276 Q C 2.337 178.388 176.000 0.085 0.000 0.984 276 Q CA 2.034 57.875 55.803 0.064 0.000 0.846 276 Q CB -1.016 27.773 28.738 0.085 0.000 0.902 276 Q HN 0.431 nan 8.270 nan 0.000 0.421 277 T N 0.420 115.009 114.554 0.058 0.000 2.665 277 T HA -0.216 4.134 4.350 0.001 0.000 0.268 277 T C 1.692 176.420 174.700 0.048 0.000 1.035 277 T CA 1.673 63.798 62.100 0.042 0.000 1.151 277 T CB -0.714 68.163 68.868 0.016 0.000 0.862 277 T HN 0.498 nan 8.240 nan 0.000 0.438 278 A N 1.079 123.940 122.820 0.070 0.000 1.877 278 A HA -0.008 4.313 4.320 0.001 0.000 0.216 278 A C 2.333 180.051 177.584 0.225 0.000 1.186 278 A CA 1.290 53.403 52.037 0.127 0.000 0.620 278 A CB -0.876 18.230 19.000 0.176 0.000 0.822 278 A HN 0.485 nan 8.150 nan 0.000 0.443 279 L N -0.612 120.717 121.223 0.176 0.000 2.083 279 L HA -0.186 4.154 4.340 0.001 0.000 0.209 279 L C 2.025 178.958 176.870 0.104 0.000 1.083 279 L CA 1.353 56.282 54.840 0.148 0.000 0.752 279 L CB -0.628 41.481 42.059 0.084 0.000 0.899 279 L HN 0.302 nan 8.230 nan 0.000 0.433 280 D N 0.060 120.505 120.400 0.074 0.000 2.144 280 D HA -0.141 4.499 4.640 0.001 0.000 0.199 280 D C 2.375 178.679 176.300 0.006 0.000 0.984 280 D CA 1.089 55.112 54.000 0.038 0.000 0.834 280 D CB -0.073 40.749 40.800 0.036 0.000 0.955 280 D HN 0.258 nan 8.370 nan 0.000 0.465 281 L N -0.571 120.643 121.223 -0.015 0.000 2.056 281 L HA -0.178 4.162 4.340 0.001 0.000 0.207 281 L C 2.311 179.083 176.870 -0.163 0.000 1.078 281 L CA 0.929 55.703 54.840 -0.110 0.000 0.749 281 L CB -0.444 41.504 42.059 -0.185 0.000 0.901 281 L HN 0.062 nan 8.230 nan 0.000 0.433 282 Y N 0.138 120.356 120.300 -0.136 0.000 2.181 282 Y HA -0.196 4.354 4.550 0.001 0.000 0.288 282 Y C 2.819 178.601 175.900 -0.196 0.000 1.146 282 Y CA 1.314 59.278 58.100 -0.227 0.000 1.164 282 Y CB -0.229 38.050 38.460 -0.301 0.000 0.982 282 Y HN 0.026 nan 8.280 nan 0.000 0.515 283 R N -0.524 119.990 120.500 0.023 0.000 2.062 283 R HA -0.079 4.261 4.340 0.001 0.000 0.229 283 R C 2.491 178.773 176.300 -0.030 0.000 1.128 283 R CA 1.071 57.160 56.100 -0.017 0.000 0.960 283 R CB -0.698 29.595 30.300 -0.012 0.000 0.855 283 R HN 0.286 nan 8.270 nan 0.000 0.432 284 A N 0.874 123.674 122.820 -0.033 0.000 2.019 284 A HA -0.069 4.252 4.320 0.001 0.000 0.219 284 A C 2.208 179.763 177.584 -0.050 0.000 1.164 284 A CA 1.630 53.645 52.037 -0.037 0.000 0.644 284 A CB -0.741 18.236 19.000 -0.039 0.000 0.805 284 A HN 0.467 nan 8.150 nan 0.000 0.449 285 G N -2.177 106.579 108.800 -0.072 0.000 2.744 285 G HA2 0.340 4.301 3.960 0.001 0.000 0.211 285 G HA3 0.340 4.301 3.960 0.001 0.000 0.211 285 G C 1.103 175.970 174.900 -0.055 0.000 1.143 285 G CA 0.657 45.708 45.100 -0.081 0.000 0.788 285 G HN 1.630 nan 8.290 nan 0.000 0.534 286 G N -1.520 107.253 108.800 -0.045 0.000 2.211 286 G HA2 -0.209 3.752 3.960 0.001 0.000 0.201 286 G HA3 -0.209 3.752 3.960 0.001 0.000 0.201 286 G C 0.164 175.049 174.900 -0.025 0.000 0.997 286 G CA -0.023 45.062 45.100 -0.025 0.000 0.652 286 G HN 0.617 nan 8.290 nan 0.000 0.500 287 V N 2.682 122.552 119.914 -0.072 0.000 2.488 287 V HA 0.417 4.537 4.120 0.001 0.000 0.277 287 V C -1.512 174.531 176.094 -0.086 0.000 1.046 287 V CA -1.246 60.983 62.300 -0.119 0.000 0.986 287 V CB 1.195 32.794 31.823 -0.374 0.000 0.989 287 V HN 0.144 nan 8.190 nan 0.000 0.475 288 P HA 0.151 nan 4.420 nan 0.000 0.268 288 P C 0.628 177.900 177.300 -0.047 0.000 1.204 288 P CA 0.002 63.089 63.100 -0.021 0.000 0.768 288 P CB 0.883 32.593 31.700 0.017 0.000 0.842 289 A N 4.303 127.094 122.820 -0.048 0.000 1.917 289 A HA -0.250 4.070 4.320 0.001 0.000 0.219 289 A C 1.655 179.212 177.584 -0.043 0.000 1.182 289 A CA 2.200 54.200 52.037 -0.061 0.000 0.633 289 A CB -1.435 17.531 19.000 -0.055 0.000 0.819 289 A HN 0.712 nan 8.150 nan 0.000 0.448 290 N N -0.566 118.121 118.700 -0.022 0.000 2.575 290 N HA -0.053 4.687 4.740 0.001 0.000 0.192 290 N C 0.739 176.258 175.510 0.015 0.000 1.200 290 N CA 1.044 54.086 53.050 -0.013 0.000 0.897 290 N CB -0.262 38.207 38.487 -0.030 0.000 0.990 290 N HN 0.562 nan 8.380 nan 0.000 0.449 291 K N -0.156 120.271 120.400 0.046 0.000 2.358 291 K HA 0.306 4.626 4.320 0.001 0.000 0.200 291 K C -0.197 176.513 176.600 0.185 0.000 1.030 291 K CA -0.056 56.330 56.287 0.165 0.000 1.097 291 K CB 0.743 33.392 32.500 0.247 0.000 0.862 291 K HN 0.237 nan 8.250 nan 0.000 0.534 292 I N 2.039 122.620 120.570 0.018 0.000 2.330 292 I HA 0.175 4.345 4.170 0.001 0.000 0.289 292 I C -0.381 175.725 176.117 -0.019 0.000 1.001 292 I CA -0.969 60.305 61.300 -0.043 0.000 1.193 292 I CB 1.645 39.514 38.000 -0.219 0.000 1.345 292 I HN -0.308 nan 8.210 nan 0.000 0.461 293 V N 7.034 126.968 119.914 0.033 0.000 2.407 293 V HA 0.188 4.308 4.120 0.001 0.000 0.278 293 V C 0.062 176.139 176.094 -0.028 0.000 1.037 293 V CA -0.671 61.619 62.300 -0.016 0.000 0.900 293 V CB 1.666 33.486 31.823 -0.005 0.000 0.983 293 V HN 0.447 nan 8.190 nan 0.000 0.459 294 L N 5.887 127.067 121.223 -0.072 0.000 2.407 294 L HA 0.531 4.871 4.340 0.001 0.000 0.282 294 L C 0.915 177.722 176.870 -0.106 0.000 1.110 294 L CA 0.563 55.363 54.840 -0.067 0.000 0.863 294 L CB 0.192 42.227 42.059 -0.040 0.000 1.207 294 L HN 0.729 nan 8.230 nan 0.000 0.454 295 G N 5.887 114.674 108.800 -0.022 0.000 2.442 295 G HA2 0.450 4.411 3.960 0.001 0.000 0.249 295 G HA3 0.450 4.411 3.960 0.001 0.000 0.249 295 G C -0.518 174.470 174.900 0.147 0.000 1.263 295 G CA -0.513 44.653 45.100 0.110 0.000 0.846 295 G HN 0.625 nan 8.290 nan 0.000 0.555 296 M N 3.254 122.943 119.600 0.149 0.000 2.446 296 M HA 0.331 4.811 4.480 0.001 0.000 0.294 296 M C -2.537 173.856 176.300 0.156 0.000 1.158 296 M CA -1.847 53.521 55.300 0.114 0.000 0.899 296 M CB 3.663 36.196 32.600 -0.112 0.000 1.687 296 M HN 0.302 nan 8.290 nan 0.000 0.455 297 P HA 0.255 nan 4.420 nan 0.000 0.284 297 P C -0.789 176.437 177.300 -0.123 0.000 1.253 297 P CA -0.291 62.612 63.100 -0.328 0.000 0.800 297 P CB 0.912 32.093 31.700 -0.865 0.000 0.961 298 L N 3.789 125.051 121.223 0.065 0.000 3.034 298 L HA 0.284 4.625 4.340 0.001 0.000 0.245 298 L C -0.230 176.807 176.870 0.278 0.000 1.295 298 L CA -0.358 54.563 54.840 0.135 0.000 1.068 298 L CB -0.717 41.436 42.059 0.156 0.000 1.426 298 L HN 0.491 nan 8.230 nan 0.000 0.531 299 Y N -3.161 117.255 120.300 0.194 0.000 2.725 299 Y HA 0.822 5.372 4.550 0.001 0.000 0.333 299 Y C -0.299 175.754 175.900 0.256 0.000 1.242 299 Y CA -1.406 56.830 58.100 0.228 0.000 1.059 299 Y CB 0.819 39.403 38.460 0.207 0.000 1.306 299 Y HN -0.132 nan 8.280 nan 0.000 0.454 300 G N 0.934 109.981 108.800 0.412 0.000 2.481 300 G HA2 0.664 4.625 3.960 0.001 0.000 0.315 300 G HA3 0.664 4.625 3.960 0.001 0.000 0.315 300 G C -1.580 173.573 174.900 0.422 0.000 1.231 300 G CA -1.479 43.843 45.100 0.370 0.000 0.968 300 G HN 0.561 nan 8.290 nan 0.000 0.482 301 R N 0.803 121.469 120.500 0.277 0.000 2.295 301 R HA 0.465 4.806 4.340 0.001 0.000 0.324 301 R C -0.086 176.112 176.300 -0.170 0.000 0.968 301 R CA -0.387 55.753 56.100 0.067 0.000 0.837 301 R CB 1.704 32.014 30.300 0.017 0.000 1.133 301 R HN 0.686 nan 8.270 nan 0.000 0.450 302 S N 2.189 117.724 115.700 -0.275 0.000 2.651 302 S HA 0.731 5.201 4.470 0.001 0.000 0.291 302 S C -0.471 173.562 174.600 -0.945 0.000 1.141 302 S CA -0.647 57.271 58.200 -0.471 0.000 1.027 302 S CB 1.108 64.188 63.200 -0.200 0.000 1.043 302 S HN 0.380 nan 8.310 nan 0.000 0.530 303 F N -0.075 119.625 119.950 -0.416 0.000 2.573 303 F HA 0.700 5.228 4.527 0.001 0.000 0.316 303 F C 0.292 176.028 175.800 -0.106 0.000 1.148 303 F CA -0.810 57.007 58.000 -0.305 0.000 0.940 303 F CB 1.835 40.545 39.000 -0.483 0.000 1.214 303 F HN 0.934 nan 8.300 nan 0.000 0.448 304 A N 2.135 125.180 122.820 0.376 0.000 2.294 304 A HA 0.624 4.945 4.320 0.001 0.000 0.330 304 A C 0.207 178.028 177.584 0.395 0.000 1.133 304 A CA -0.758 51.579 52.037 0.501 0.000 0.836 304 A CB 0.336 19.658 19.000 0.537 0.000 1.190 304 A HN 0.877 nan 8.150 nan 0.000 0.492 305 N N -0.146 118.752 118.700 0.330 0.000 2.714 305 N HA -0.138 4.602 4.740 0.001 0.000 0.253 305 N C -0.346 175.308 175.510 0.241 0.000 1.024 305 N CA 1.545 54.738 53.050 0.238 0.000 0.726 305 N CB -1.123 37.475 38.487 0.185 0.000 0.908 305 N HN 0.821 nan 8.380 nan 0.000 0.542 306 T N -1.151 113.566 114.554 0.272 0.000 2.900 306 T HA 0.301 4.652 4.350 0.001 0.000 0.295 306 T C 0.543 175.380 174.700 0.229 0.000 1.044 306 T CA -0.643 61.587 62.100 0.217 0.000 0.995 306 T CB 1.282 70.261 68.868 0.185 0.000 1.072 306 T HN -0.047 nan 8.240 nan 0.000 0.473 307 D N 1.981 122.439 120.400 0.096 0.000 2.277 307 D HA 0.275 4.916 4.640 0.001 0.000 0.208 307 D C 1.055 177.220 176.300 -0.226 0.000 0.962 307 D CA 1.000 55.026 54.000 0.044 0.000 0.865 307 D CB 0.355 41.153 40.800 -0.003 0.000 0.939 307 D HN 0.834 nan 8.370 nan 0.000 0.510 308 G N -0.330 108.307 108.800 -0.272 0.000 2.327 308 G HA2 0.202 4.163 3.960 0.001 0.000 0.291 308 G HA3 0.202 4.163 3.960 0.001 0.000 0.291 308 G C -3.023 171.616 174.900 -0.436 0.000 1.290 308 G CA -1.011 43.793 45.100 -0.492 0.000 0.857 308 G HN -0.261 nan 8.290 nan 0.000 0.520 309 P HA 0.363 nan 4.420 nan 0.000 0.265 309 P C 0.850 177.896 177.300 -0.424 0.000 1.193 309 P CA 2.014 64.735 63.100 -0.631 0.000 0.765 309 P CB 0.873 32.124 31.700 -0.749 0.000 0.823 310 G N 1.026 109.571 108.800 -0.425 0.000 2.176 310 G HA2 -0.206 3.755 3.960 0.001 0.000 0.252 310 G HA3 -0.206 3.755 3.960 0.001 0.000 0.252 310 G C 0.001 174.784 174.900 -0.195 0.000 1.024 310 G CA -0.085 44.852 45.100 -0.271 0.000 0.755 310 G HN 0.481 nan 8.290 nan 0.000 0.507 311 K N -0.647 119.632 120.400 -0.201 0.000 2.395 311 K HA 0.581 4.901 4.320 0.001 0.000 0.245 311 K C -2.701 173.883 176.600 -0.025 0.000 1.017 311 K CA -2.220 54.003 56.287 -0.106 0.000 0.852 311 K CB 1.553 33.990 32.500 -0.105 0.000 1.311 311 K HN -0.084 nan 8.250 nan 0.000 0.452 312 P HA 0.041 nan 4.420 nan 0.000 0.268 312 P C -1.084 176.295 177.300 0.132 0.000 1.208 312 P CA 0.327 63.446 63.100 0.032 0.000 0.777 312 P CB 0.172 31.867 31.700 -0.008 0.000 0.875 313 Y N -0.466 119.840 120.300 0.009 0.000 2.689 313 Y HA 0.738 5.289 4.550 0.001 0.000 0.333 313 Y C -1.327 174.625 175.900 0.088 0.000 1.190 313 Y CA -1.435 56.706 58.100 0.069 0.000 1.063 313 Y CB 1.247 39.780 38.460 0.122 0.000 1.294 313 Y HN 0.176 nan 8.280 nan 0.000 0.466 314 N N 0.757 119.548 118.700 0.153 0.000 2.594 314 N HA 0.520 5.261 4.740 0.001 0.000 0.280 314 N C -0.594 175.040 175.510 0.207 0.000 1.156 314 N CA 0.663 53.732 53.050 0.032 0.000 0.831 314 N CB 1.473 39.979 38.487 0.033 0.000 1.379 314 N HN 1.536 nan 8.380 nan 0.000 0.536 315 G N 0.568 109.506 108.800 0.230 0.000 2.781 315 G HA2 -0.120 3.841 3.960 0.001 0.000 0.683 315 G HA3 -0.120 3.841 3.960 0.001 0.000 0.683 315 G C 0.216 175.342 174.900 0.376 0.000 1.390 315 G CA -0.237 45.022 45.100 0.265 0.000 0.850 315 G HN 1.315 nan 8.290 nan 0.000 0.557 316 V N -1.525 118.545 119.914 0.260 0.000 3.346 316 V HA 0.690 4.811 4.120 0.001 0.000 0.309 316 V C 1.709 178.023 176.094 0.367 0.000 1.457 316 V CA 1.094 63.505 62.300 0.186 0.000 1.069 316 V CB -0.226 31.589 31.823 -0.014 0.000 0.944 316 V HN 2.998 nan 8.190 nan 0.000 0.449 317 G N 1.268 110.292 108.800 0.374 0.000 2.645 317 G HA2 -0.241 3.719 3.960 0.001 0.000 0.246 317 G HA3 -0.241 3.719 3.960 0.001 0.000 0.246 317 G C -0.253 174.772 174.900 0.209 0.000 1.322 317 G CA 0.561 45.877 45.100 0.360 0.000 0.898 317 G HN 0.649 nan 8.290 nan 0.000 0.573 318 Q N -0.712 119.191 119.800 0.173 0.000 2.500 318 Q HA 0.605 4.945 4.340 0.001 0.000 0.173 318 Q C 0.881 176.502 176.000 -0.631 0.000 1.079 318 Q CA 0.064 55.797 55.803 -0.117 0.000 0.960 318 Q CB 0.494 29.180 28.738 -0.088 0.000 2.832 318 Q HN 1.632 nan 8.270 nan 0.000 0.476 319 G N -1.305 106.777 108.800 -1.197 0.000 2.428 319 G HA2 0.213 4.174 3.960 0.001 0.000 0.304 319 G HA3 0.213 4.174 3.960 0.001 0.000 0.304 319 G C -0.361 173.760 174.900 -1.299 0.000 1.303 319 G CA -0.261 43.664 45.100 -1.959 0.000 0.825 319 G HN 0.360 nan 8.290 nan 0.000 0.484 320 S N -1.200 113.925 115.700 -0.960 0.000 2.348 320 S HA 0.046 4.516 4.470 0.001 0.000 0.219 320 S C 1.228 175.056 174.600 -1.287 0.000 1.033 320 S CA 1.638 59.253 58.200 -0.974 0.000 0.974 320 S CB -0.116 62.594 63.200 -0.816 0.000 0.868 320 S HN 0.575 nan 8.310 nan 0.000 0.459 321 W N 1.544 122.763 121.300 -0.136 0.000 2.592 321 W HA 0.352 5.012 4.660 0.001 0.000 0.306 321 W C 0.091 176.554 176.519 -0.093 0.000 0.991 321 W CA -0.566 56.739 57.345 -0.067 0.000 1.430 321 W CB 0.685 30.152 29.460 0.011 0.000 1.017 321 W HN 0.192 nan 8.180 nan 0.000 0.557 322 E N 0.289 120.449 120.200 -0.067 0.000 2.363 322 E HA 0.263 4.614 4.350 0.001 0.000 0.281 322 E C -0.892 175.578 176.600 -0.218 0.000 0.953 322 E CA -0.990 55.358 56.400 -0.088 0.000 0.778 322 E CB 0.671 30.355 29.700 -0.027 0.000 1.220 322 E HN -0.291 nan 8.360 nan 0.000 0.431 323 N N 0.812 119.404 118.700 -0.181 0.000 2.458 323 N HA 0.266 5.007 4.740 0.001 0.000 0.258 323 N C 1.010 176.412 175.510 -0.179 0.000 1.219 323 N CA 1.682 54.607 53.050 -0.208 0.000 0.902 323 N CB 1.042 39.468 38.487 -0.101 0.000 1.076 323 N HN 0.949 nan 8.380 nan 0.000 0.455 324 G N -0.213 108.460 108.800 -0.212 0.000 2.176 324 G HA2 -0.237 3.723 3.960 0.001 0.000 0.253 324 G HA3 -0.237 3.723 3.960 0.001 0.000 0.253 324 G C -0.367 174.451 174.900 -0.137 0.000 0.979 324 G CA 0.291 45.319 45.100 -0.119 0.000 0.641 324 G HN 0.507 nan 8.290 nan 0.000 0.530 325 V N -0.190 119.557 119.914 -0.279 0.000 2.531 325 V HA 0.762 4.882 4.120 0.001 0.000 0.301 325 V C -0.646 175.284 176.094 -0.273 0.000 1.034 325 V CA -0.855 61.382 62.300 -0.104 0.000 0.865 325 V CB 1.383 33.169 31.823 -0.062 0.000 0.995 325 V HN 0.311 nan 8.190 nan 0.000 0.424 326 W N 1.318 122.691 121.300 0.122 0.000 2.785 326 W HA 0.562 5.223 4.660 0.001 0.000 0.333 326 W C -0.256 176.344 176.519 0.135 0.000 1.062 326 W CA -0.646 56.738 57.345 0.066 0.000 1.233 326 W CB 1.056 30.529 29.460 0.020 0.000 1.413 326 W HN 0.425 nan 8.180 nan 0.000 0.489 327 D N 1.502 122.098 120.400 0.326 0.000 2.455 327 D HA -0.117 4.524 4.640 0.001 0.000 0.241 327 D C 0.855 177.294 176.300 0.231 0.000 1.138 327 D CA 0.152 54.333 54.000 0.302 0.000 0.877 327 D CB 0.534 41.490 40.800 0.261 0.000 1.187 327 D HN 0.470 nan 8.370 nan 0.000 0.451 328 Y N 3.652 124.014 120.300 0.103 0.000 2.207 328 Y HA -0.260 4.290 4.550 0.001 0.000 0.287 328 Y C 1.949 177.830 175.900 -0.031 0.000 1.156 328 Y CA 1.893 59.988 58.100 -0.008 0.000 1.182 328 Y CB 0.001 38.492 38.460 0.051 0.000 0.979 328 Y HN 0.426 nan 8.280 nan 0.000 0.521 329 K N -0.012 120.295 120.400 -0.155 0.000 2.442 329 K HA 0.026 4.347 4.320 0.001 0.000 0.198 329 K C 1.648 178.120 176.600 -0.212 0.000 1.044 329 K CA 1.161 57.279 56.287 -0.282 0.000 0.948 329 K CB -0.382 32.062 32.500 -0.093 0.000 0.762 329 K HN 0.299 nan 8.250 nan 0.000 0.472 330 A N 1.158 123.899 122.820 -0.132 0.000 2.308 330 A HA 0.289 4.609 4.320 0.001 0.000 0.217 330 A C 0.473 177.939 177.584 -0.197 0.000 1.216 330 A CA -0.340 51.637 52.037 -0.100 0.000 0.864 330 A CB 0.017 19.033 19.000 0.026 0.000 0.902 330 A HN 0.192 nan 8.150 nan 0.000 0.499 331 L N 0.737 121.772 121.223 -0.313 0.000 2.330 331 L HA 0.453 4.794 4.340 0.001 0.000 0.271 331 L C -2.388 174.322 176.870 -0.267 0.000 1.013 331 L CA -2.474 52.132 54.840 -0.389 0.000 0.816 331 L CB 1.898 43.479 42.059 -0.796 0.000 1.287 331 L HN -0.003 nan 8.230 nan 0.000 0.435 332 P HA 0.171 nan 4.420 nan 0.000 0.276 332 P C -1.411 175.809 177.300 -0.133 0.000 1.244 332 P CA -0.590 62.459 63.100 -0.085 0.000 0.801 332 P CB 0.875 32.616 31.700 0.068 0.000 1.006 333 Q N 0.267 119.970 119.800 -0.162 0.000 2.312 333 Q HA 0.467 4.807 4.340 0.001 0.000 0.236 333 Q C 0.306 176.239 176.000 -0.111 0.000 0.965 333 Q CA -0.692 55.007 55.803 -0.174 0.000 0.894 333 Q CB 0.531 29.113 28.738 -0.259 0.000 1.225 333 Q HN 0.530 nan 8.270 nan 0.000 0.478 334 A N 0.695 123.454 122.820 -0.102 0.000 2.561 334 A HA 0.349 4.669 4.320 0.001 0.000 0.234 334 A C 1.208 178.750 177.584 -0.071 0.000 1.055 334 A CA 0.824 52.816 52.037 -0.075 0.000 0.756 334 A CB -0.706 18.253 19.000 -0.067 0.000 0.986 334 A HN 1.013 nan 8.150 nan 0.000 0.505 335 G N 0.292 109.060 108.800 -0.053 0.000 2.225 335 G HA2 0.160 4.121 3.960 0.001 0.000 0.254 335 G HA3 0.160 4.121 3.960 0.001 0.000 0.254 335 G C 0.511 175.387 174.900 -0.040 0.000 0.988 335 G CA 0.633 45.705 45.100 -0.047 0.000 0.625 335 G HN 2.252 nan 8.290 nan 0.000 0.527 336 A N -0.316 122.483 122.820 -0.034 0.000 2.306 336 A HA 0.865 5.186 4.320 0.001 0.000 0.330 336 A C 0.145 177.719 177.584 -0.017 0.000 1.146 336 A CA 0.571 52.602 52.037 -0.010 0.000 0.827 336 A CB 1.260 20.272 19.000 0.020 0.000 1.178 336 A HN 0.696 nan 8.150 nan 0.000 0.490 337 T N 1.834 116.374 114.554 -0.024 0.000 2.829 337 T HA 0.397 4.747 4.350 0.001 0.000 0.280 337 T C -0.417 174.094 174.700 -0.315 0.000 0.999 337 T CA -0.393 61.617 62.100 -0.149 0.000 0.983 337 T CB 1.090 69.864 68.868 -0.157 0.000 0.968 337 T HN 0.680 nan 8.240 nan 0.000 0.446 338 E N 2.244 122.248 120.200 -0.328 0.000 2.343 338 E HA 0.275 4.626 4.350 0.001 0.000 0.269 338 E C -0.419 175.763 176.600 -0.696 0.000 1.047 338 E CA -0.631 55.548 56.400 -0.368 0.000 0.874 338 E CB 0.693 30.290 29.700 -0.172 0.000 1.033 338 E HN 0.539 nan 8.360 nan 0.000 0.409 339 H N 0.298 119.095 119.070 -0.455 0.000 2.717 339 H HA 0.388 4.944 4.556 0.001 0.000 0.366 339 H C -0.916 174.176 175.328 -0.394 0.000 1.132 339 H CA -0.645 55.109 56.048 -0.491 0.000 1.180 339 H CB 1.687 30.947 29.762 -0.836 0.000 1.678 339 H HN 0.159 nan 8.280 nan 0.000 0.537 340 V N 3.836 123.703 119.914 -0.079 0.000 2.604 340 V HA 0.315 4.435 4.120 0.001 0.000 0.305 340 V C 0.058 176.156 176.094 0.007 0.000 1.043 340 V CA -0.745 61.528 62.300 -0.045 0.000 0.888 340 V CB 2.314 34.111 31.823 -0.043 0.000 0.995 340 V HN 0.510 nan 8.190 nan 0.000 0.429 341 L N 6.492 127.719 121.223 0.007 0.000 2.445 341 L HA 0.348 4.688 4.340 0.001 0.000 0.252 341 L C -1.408 175.450 176.870 -0.019 0.000 1.105 341 L CA -1.352 53.488 54.840 -0.000 0.000 0.943 341 L CB 1.875 43.920 42.059 -0.023 0.000 1.277 341 L HN 0.474 nan 8.230 nan 0.000 0.465 342 P HA -0.185 nan 4.420 nan 0.000 0.218 342 P C 0.536 177.847 177.300 0.018 0.000 1.148 342 P CA 1.228 64.330 63.100 0.003 0.000 0.822 342 P CB 0.441 32.145 31.700 0.006 0.000 0.784 343 D N -0.164 120.238 120.400 0.004 0.000 2.371 343 D HA -0.027 4.614 4.640 0.001 0.000 0.221 343 D C 1.660 178.000 176.300 0.066 0.000 0.986 343 D CA 0.693 54.692 54.000 -0.003 0.000 0.899 343 D CB -0.203 40.568 40.800 -0.047 0.000 0.902 343 D HN 0.440 nan 8.370 nan 0.000 0.530 344 I N -4.260 116.347 120.570 0.062 0.000 4.147 344 I HA 0.247 4.418 4.170 0.001 0.000 0.329 344 I C -0.051 176.073 176.117 0.012 0.000 1.424 344 I CA -0.331 61.027 61.300 0.097 0.000 1.127 344 I CB -0.023 37.966 38.000 -0.018 0.000 1.128 344 I HN -0.278 nan 8.210 nan 0.000 0.417 345 M N 1.834 121.437 119.600 0.005 0.000 2.516 345 M HA -0.191 4.289 4.480 0.001 0.000 0.183 345 M C -0.170 176.082 176.300 -0.080 0.000 0.928 345 M CA 0.870 56.142 55.300 -0.046 0.000 0.573 345 M CB -1.552 30.988 32.600 -0.099 0.000 1.126 345 M HN 0.685 nan 8.290 nan 0.000 0.859 346 A N 0.212 122.976 122.820 -0.093 0.000 2.539 346 A HA 0.921 5.242 4.320 0.001 0.000 0.296 346 A C -0.585 176.967 177.584 -0.053 0.000 1.073 346 A CA -0.382 51.594 52.037 -0.102 0.000 0.700 346 A CB 2.427 21.261 19.000 -0.277 0.000 1.296 346 A HN 0.349 nan 8.150 nan 0.000 0.405 347 S N -0.707 114.979 115.700 -0.022 0.000 2.595 347 S HA 0.911 5.381 4.470 0.001 0.000 0.281 347 S C -1.653 172.949 174.600 0.005 0.000 1.117 347 S CA -0.351 57.811 58.200 -0.065 0.000 0.873 347 S CB 1.392 64.469 63.200 -0.204 0.000 1.108 347 S HN 1.557 nan 8.310 nan 0.000 0.477 348 Y N -0.627 119.584 120.300 -0.148 0.000 2.624 348 Y HA 0.739 5.289 4.550 0.001 0.000 0.334 348 Y C -0.715 175.191 175.900 0.011 0.000 1.155 348 Y CA -1.099 56.945 58.100 -0.093 0.000 1.046 348 Y CB 0.546 39.073 38.460 0.112 0.000 1.316 348 Y HN 0.547 nan 8.280 nan 0.000 0.457 349 S N 1.419 117.287 115.700 0.280 0.000 2.593 349 S HA 0.771 5.242 4.470 0.001 0.000 0.297 349 S C -1.713 173.164 174.600 0.461 0.000 1.112 349 S CA -0.593 57.762 58.200 0.259 0.000 1.043 349 S CB 2.106 65.522 63.200 0.359 0.000 1.054 349 S HN 0.958 nan 8.310 nan 0.000 0.516 350 Y N 0.816 121.261 120.300 0.240 0.000 2.470 350 Y HA 0.499 5.049 4.550 0.001 0.000 0.341 350 Y C -1.829 174.191 175.900 0.200 0.000 1.021 350 Y CA -0.976 57.298 58.100 0.290 0.000 1.025 350 Y CB 1.995 40.712 38.460 0.429 0.000 1.266 350 Y HN 0.850 nan 8.280 nan 0.000 0.448 351 D N 4.415 124.531 120.400 -0.474 0.000 2.461 351 D HA 0.416 5.057 4.640 0.001 0.000 0.240 351 D C 0.338 176.248 176.300 -0.650 0.000 1.094 351 D CA 0.238 54.034 54.000 -0.341 0.000 0.868 351 D CB 1.797 42.516 40.800 -0.135 0.000 1.062 351 D HN 0.807 nan 8.370 nan 0.000 0.530 352 A N 2.843 125.398 122.820 -0.441 0.000 2.015 352 A HA -0.149 4.172 4.320 0.001 0.000 0.219 352 A C 2.063 179.590 177.584 -0.094 0.000 1.163 352 A CA 2.085 53.991 52.037 -0.220 0.000 0.646 352 A CB -0.617 18.452 19.000 0.115 0.000 0.806 352 A HN 0.649 nan 8.150 nan 0.000 0.448 353 T N -0.148 114.358 114.554 -0.080 0.000 2.746 353 T HA -0.182 4.169 4.350 0.001 0.000 0.267 353 T C 1.265 175.945 174.700 -0.032 0.000 1.039 353 T CA 1.559 63.638 62.100 -0.035 0.000 1.142 353 T CB -0.552 68.296 68.868 -0.032 0.000 0.866 353 T HN 0.625 nan 8.240 nan 0.000 0.444 354 N N 0.671 119.338 118.700 -0.056 0.000 2.203 354 N HA 0.118 4.859 4.740 0.001 0.000 0.207 354 N C -0.046 175.483 175.510 0.032 0.000 1.130 354 N CA -0.275 52.766 53.050 -0.015 0.000 0.861 354 N CB -0.205 38.259 38.487 -0.039 0.000 1.005 354 N HN 0.552 nan 8.380 nan 0.000 0.507 355 K N -0.262 120.109 120.400 -0.048 0.000 3.077 355 K HA -0.214 4.106 4.320 0.001 0.000 0.264 355 K C -1.154 175.558 176.600 0.188 0.000 1.008 355 K CA 0.368 56.667 56.287 0.020 0.000 0.740 355 K CB -1.964 30.648 32.500 0.186 0.000 1.273 355 K HN 0.258 nan 8.250 nan 0.000 0.477 356 F N 1.582 121.464 119.950 -0.114 0.000 2.415 356 F HA 0.429 4.956 4.527 0.001 0.000 0.348 356 F C -0.044 175.832 175.800 0.126 0.000 1.119 356 F CA -1.458 56.564 58.000 0.036 0.000 1.069 356 F CB 0.972 39.958 39.000 -0.023 0.000 1.124 356 F HN 0.016 nan 8.300 nan 0.000 0.472 357 L N 7.894 129.087 121.223 -0.049 0.000 2.346 357 L HA 0.638 4.978 4.340 0.001 0.000 0.276 357 L C -1.287 175.551 176.870 -0.052 0.000 1.006 357 L CA -0.668 54.274 54.840 0.171 0.000 0.817 357 L CB 1.588 43.799 42.059 0.253 0.000 1.272 357 L HN 0.568 nan 8.230 nan 0.000 0.421 358 I N 3.061 123.722 120.570 0.151 0.000 2.499 358 I HA 0.217 4.387 4.170 0.001 0.000 0.288 358 I C -0.186 176.172 176.117 0.402 0.000 1.048 358 I CA -0.490 60.918 61.300 0.181 0.000 1.062 358 I CB 2.169 40.243 38.000 0.123 0.000 1.238 358 I HN 0.576 nan 8.210 nan 0.000 0.426 359 S N 6.814 122.728 115.700 0.358 0.000 2.410 359 S HA 0.639 5.109 4.470 0.001 0.000 0.304 359 S C -1.012 173.798 174.600 0.350 0.000 1.095 359 S CA -0.276 58.122 58.200 0.329 0.000 1.089 359 S CB -0.045 63.333 63.200 0.296 0.000 0.968 359 S HN 0.486 nan 8.310 nan 0.000 0.480 360 Y N 0.871 121.263 120.300 0.152 0.000 2.638 360 Y HA 0.658 5.208 4.550 0.001 0.000 0.335 360 Y C -1.292 174.643 175.900 0.059 0.000 1.155 360 Y CA -1.555 56.588 58.100 0.072 0.000 1.046 360 Y CB 0.373 38.909 38.460 0.127 0.000 1.303 360 Y HN 0.265 nan 8.280 nan 0.000 0.460 361 D N 2.271 122.708 120.400 0.061 0.000 2.225 361 D HA 0.220 4.861 4.640 0.001 0.000 0.248 361 D C -0.488 175.805 176.300 -0.011 0.000 1.096 361 D CA -0.090 53.878 54.000 -0.052 0.000 0.863 361 D CB 1.022 41.788 40.800 -0.057 0.000 1.156 361 D HN 0.703 nan 8.370 nan 0.000 0.450 362 N N 1.458 120.141 118.700 -0.029 0.000 2.530 362 N HA 0.377 5.117 4.740 0.001 0.000 0.283 362 N C -2.330 173.210 175.510 0.051 0.000 1.238 362 N CA -1.646 51.473 53.050 0.116 0.000 0.971 362 N CB -0.184 38.368 38.487 0.108 0.000 1.195 362 N HN -0.098 nan 8.380 nan 0.000 0.583 363 P HA -0.171 nan 4.420 nan 0.000 0.216 363 P C 1.337 178.665 177.300 0.046 0.000 1.150 363 P CA 1.600 64.745 63.100 0.076 0.000 0.837 363 P CB 0.205 31.968 31.700 0.104 0.000 0.786 364 Q N -0.246 119.574 119.800 0.035 0.000 2.084 364 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 364 Q C 1.865 177.873 176.000 0.013 0.000 0.978 364 Q CA 1.540 57.355 55.803 0.020 0.000 0.844 364 Q CB -0.451 28.291 28.738 0.007 0.000 0.898 364 Q HN 0.041 nan 8.270 nan 0.000 0.426 365 V N 0.856 120.769 119.914 -0.002 0.000 2.427 365 V HA -0.238 3.883 4.120 0.001 0.000 0.248 365 V C 2.325 178.424 176.094 0.007 0.000 1.051 365 V CA 1.616 63.909 62.300 -0.012 0.000 1.048 365 V CB -0.903 30.896 31.823 -0.039 0.000 0.666 365 V HN 0.500 nan 8.190 nan 0.000 0.456 366 A N 0.225 123.059 122.820 0.023 0.000 1.902 366 A HA -0.228 4.093 4.320 0.001 0.000 0.217 366 A C 2.113 179.737 177.584 0.066 0.000 1.181 366 A CA 1.937 54.011 52.037 0.062 0.000 0.623 366 A CB -0.616 18.430 19.000 0.078 0.000 0.818 366 A HN 0.579 nan 8.150 nan 0.000 0.443 367 N N 0.072 118.803 118.700 0.052 0.000 2.120 367 N HA -0.089 4.651 4.740 0.001 0.000 0.188 367 N C 1.727 177.266 175.510 0.049 0.000 1.024 367 N CA 1.370 54.450 53.050 0.050 0.000 0.852 367 N CB -0.397 38.115 38.487 0.042 0.000 1.003 367 N HN 0.509 nan 8.380 nan 0.000 0.424 368 L N 1.279 122.526 121.223 0.041 0.000 2.046 368 L HA -0.134 4.206 4.340 0.001 0.000 0.208 368 L C 2.202 179.111 176.870 0.066 0.000 1.077 368 L CA 1.202 56.071 54.840 0.049 0.000 0.747 368 L CB -0.243 41.832 42.059 0.028 0.000 0.896 368 L HN 0.097 nan 8.230 nan 0.000 0.432 369 K N -0.885 119.540 120.400 0.042 0.000 2.211 369 K HA -0.122 4.198 4.320 0.001 0.000 0.203 369 K C 2.367 179.026 176.600 0.099 0.000 1.050 369 K CA 1.213 57.536 56.287 0.060 0.000 0.945 369 K CB -0.086 32.420 32.500 0.011 0.000 0.732 369 K HN 0.126 nan 8.250 nan 0.000 0.451 370 S N 0.326 116.063 115.700 0.061 0.000 2.371 370 S HA -0.072 4.398 4.470 0.001 0.000 0.224 370 S C 2.065 176.672 174.600 0.011 0.000 1.029 370 S CA 1.317 59.526 58.200 0.015 0.000 0.978 370 S CB -0.282 62.932 63.200 0.024 0.000 0.833 370 S HN 0.463 nan 8.310 nan 0.000 0.466 371 G N -0.580 108.256 108.800 0.060 0.000 2.422 371 G HA2 -0.181 3.779 3.960 0.001 0.000 0.218 371 G HA3 -0.181 3.779 3.960 0.001 0.000 0.218 371 G C 1.283 176.250 174.900 0.112 0.000 1.140 371 G CA 0.872 46.014 45.100 0.071 0.000 0.775 371 G HN 0.605 nan 8.290 nan 0.000 0.545 372 Y N 1.120 121.421 120.300 0.001 0.000 2.163 372 Y HA -0.013 4.538 4.550 0.001 0.000 0.288 372 Y C 2.567 178.459 175.900 -0.013 0.000 1.136 372 Y CA 1.131 59.235 58.100 0.005 0.000 1.147 372 Y CB -0.210 38.239 38.460 -0.018 0.000 0.987 372 Y HN 0.165 nan 8.280 nan 0.000 0.509 373 I N 0.249 120.822 120.570 0.004 0.000 2.163 373 I HA -0.368 3.803 4.170 0.001 0.000 0.243 373 I C 2.363 178.431 176.117 -0.083 0.000 1.085 373 I CA 1.708 62.946 61.300 -0.103 0.000 1.347 373 I CB -0.349 37.569 38.000 -0.136 0.000 1.044 373 I HN 0.196 nan 8.210 nan 0.000 0.408 374 K N 0.054 120.411 120.400 -0.071 0.000 2.057 374 K HA -0.101 4.220 4.320 0.001 0.000 0.206 374 K C 2.305 178.926 176.600 0.036 0.000 1.050 374 K CA 1.464 57.774 56.287 0.038 0.000 0.935 374 K CB -0.258 32.260 32.500 0.029 0.000 0.715 374 K HN 0.186 nan 8.250 nan 0.000 0.439 375 S N 1.192 116.883 115.700 -0.015 0.000 2.382 375 S HA -0.080 4.391 4.470 0.001 0.000 0.228 375 S C 1.636 176.191 174.600 -0.076 0.000 1.027 375 S CA 1.047 59.232 58.200 -0.025 0.000 0.991 375 S CB -0.014 63.185 63.200 -0.001 0.000 0.823 375 S HN 0.093 nan 8.310 nan 0.000 0.469 376 L N 0.369 121.488 121.223 -0.174 0.000 2.567 376 L HA 0.324 4.664 4.340 0.001 0.000 0.225 376 L C 1.478 178.296 176.870 -0.087 0.000 1.119 376 L CA 0.574 55.305 54.840 -0.182 0.000 0.871 376 L CB -0.774 41.064 42.059 -0.368 0.000 1.036 376 L HN 0.383 nan 8.230 nan 0.000 0.459 377 G N 0.246 109.037 108.800 -0.015 0.000 2.246 377 G HA2 -0.272 3.688 3.960 0.001 0.000 0.273 377 G HA3 -0.272 3.688 3.960 0.001 0.000 0.273 377 G C 0.390 175.313 174.900 0.039 0.000 1.055 377 G CA 0.180 45.307 45.100 0.045 0.000 0.851 377 G HN 0.258 nan 8.290 nan 0.000 0.500 378 L N -0.905 120.341 121.223 0.037 0.000 2.474 378 L HA 0.422 4.763 4.340 0.001 0.000 0.259 378 L C 2.046 178.972 176.870 0.092 0.000 1.232 378 L CA 0.305 55.152 54.840 0.010 0.000 0.821 378 L CB 0.289 42.319 42.059 -0.047 0.000 1.108 378 L HN 0.206 nan 8.230 nan 0.000 0.495 379 G N -0.593 108.224 108.800 0.028 0.000 2.848 379 G HA2 0.385 4.346 3.960 0.001 0.000 0.208 379 G HA3 0.385 4.346 3.960 0.001 0.000 0.208 379 G C 0.559 175.480 174.900 0.034 0.000 1.152 379 G CA 0.682 45.786 45.100 0.007 0.000 0.789 379 G HN 1.000 nan 8.290 nan 0.000 0.531 380 G N -1.580 107.268 108.800 0.081 0.000 2.278 380 G HA2 0.531 4.491 3.960 0.001 0.000 0.265 380 G HA3 0.531 4.491 3.960 0.001 0.000 0.265 380 G C -1.114 173.713 174.900 -0.122 0.000 1.329 380 G CA -0.214 44.903 45.100 0.028 0.000 1.017 380 G HN 1.130 nan 8.290 nan 0.000 0.472 381 A N -0.427 122.264 122.820 -0.214 0.000 2.374 381 A HA 0.901 5.221 4.320 0.001 0.000 0.317 381 A C -0.235 177.012 177.584 -0.562 0.000 1.094 381 A CA -0.280 51.475 52.037 -0.470 0.000 0.765 381 A CB 1.871 20.476 19.000 -0.659 0.000 1.268 381 A HN 1.755 nan 8.150 nan 0.000 0.438 382 M N 2.411 121.641 119.600 -0.617 0.000 2.518 382 M HA 0.568 5.049 4.480 0.001 0.000 0.300 382 M C -2.300 173.795 176.300 -0.341 0.000 1.175 382 M CA -0.497 54.648 55.300 -0.258 0.000 0.890 382 M CB 1.653 34.311 32.600 0.097 0.000 1.710 382 M HN 0.794 nan 8.290 nan 0.000 0.453 383 W N 3.272 124.750 121.300 0.298 0.000 2.936 383 W HA 0.442 5.102 4.660 0.001 0.000 0.338 383 W C -1.317 175.424 176.519 0.371 0.000 1.121 383 W CA -0.644 56.866 57.345 0.276 0.000 1.209 383 W CB 1.689 31.232 29.460 0.139 0.000 1.420 383 W HN 0.705 nan 8.180 nan 0.000 0.516 384 W N 5.054 126.552 121.300 0.330 0.000 2.554 384 W HA 0.335 4.996 4.660 0.001 0.000 0.324 384 W C -1.410 175.228 176.519 0.198 0.000 1.018 384 W CA -0.618 56.841 57.345 0.190 0.000 1.243 384 W CB 1.601 31.032 29.460 -0.047 0.000 1.345 384 W HN 0.553 nan 8.180 nan 0.000 0.441 385 D N 1.053 121.225 120.400 -0.381 0.000 2.477 385 D HA 0.310 4.951 4.640 0.001 0.000 0.234 385 D C 1.024 177.123 176.300 -0.335 0.000 1.048 385 D CA -0.411 53.183 54.000 -0.675 0.000 0.959 385 D CB 1.742 41.708 40.800 -1.391 0.000 1.408 385 D HN 0.088 nan 8.370 nan 0.000 0.496 386 S N 0.137 115.676 115.700 -0.268 0.000 2.440 386 S HA -0.269 4.201 4.470 0.001 0.000 0.240 386 S C 1.736 176.057 174.600 -0.465 0.000 1.014 386 S CA 1.366 59.471 58.200 -0.158 0.000 0.980 386 S CB -1.029 62.257 63.200 0.144 0.000 0.775 386 S HN 0.599 nan 8.310 nan 0.000 0.499 387 S N 1.394 116.624 115.700 -0.784 0.000 2.522 387 S HA 0.046 4.516 4.470 0.001 0.000 0.227 387 S C 1.519 175.837 174.600 -0.470 0.000 0.986 387 S CA 0.529 58.051 58.200 -1.130 0.000 0.929 387 S CB -0.562 62.120 63.200 -0.863 0.000 0.769 387 S HN 0.767 nan 8.310 nan 0.000 0.529 388 S N -0.102 115.467 115.700 -0.218 0.000 2.602 388 S HA 0.289 4.760 4.470 0.001 0.000 0.240 388 S C -0.224 174.435 174.600 0.098 0.000 0.992 388 S CA -0.605 57.600 58.200 0.009 0.000 0.971 388 S CB -0.152 63.131 63.200 0.139 0.000 0.855 388 S HN 0.377 nan 8.310 nan 0.000 0.481 389 D N 2.353 122.777 120.400 0.040 0.000 2.329 389 D HA 0.333 4.973 4.640 0.001 0.000 0.246 389 D C -0.001 176.361 176.300 0.103 0.000 1.111 389 D CA -0.177 53.911 54.000 0.147 0.000 0.941 389 D CB 0.882 41.673 40.800 -0.015 0.000 1.169 389 D HN 0.163 nan 8.370 nan 0.000 0.441 390 K N -0.080 120.408 120.400 0.148 0.000 2.098 390 K HA 0.396 4.716 4.320 0.001 0.000 0.244 390 K C 0.201 176.819 176.600 0.031 0.000 1.014 390 K CA -0.592 55.698 56.287 0.005 0.000 0.917 390 K CB 0.811 33.262 32.500 -0.081 0.000 1.072 390 K HN 0.568 nan 8.250 nan 0.000 0.477 391 T N -2.201 112.357 114.554 0.007 0.000 2.937 391 T HA 0.675 5.025 4.350 0.001 0.000 0.283 391 T C 0.626 175.333 174.700 0.011 0.000 1.012 391 T CA -0.189 61.917 62.100 0.010 0.000 0.997 391 T CB 1.446 70.318 68.868 0.007 0.000 1.136 391 T HN 0.843 nan 8.240 nan 0.000 0.551 392 G N 0.936 109.742 108.800 0.010 0.000 2.593 392 G HA2 -0.244 3.716 3.960 0.001 0.000 0.237 392 G HA3 -0.244 3.716 3.960 0.001 0.000 0.237 392 G C 0.942 175.854 174.900 0.020 0.000 1.312 392 G CA 0.772 45.879 45.100 0.011 0.000 0.896 392 G HN 1.903 nan 8.290 nan 0.000 0.574 393 S N -0.834 114.880 115.700 0.023 0.000 2.474 393 S HA 0.007 4.478 4.470 0.001 0.000 0.235 393 S C 1.338 175.970 174.600 0.053 0.000 0.997 393 S CA 1.900 60.119 58.200 0.031 0.000 0.949 393 S CB 0.094 63.310 63.200 0.026 0.000 0.766 393 S HN 0.558 nan 8.310 nan 0.000 0.517 394 D N 1.867 122.306 120.400 0.066 0.000 2.349 394 D HA 0.124 4.764 4.640 0.001 0.000 0.224 394 D C 0.543 176.965 176.300 0.203 0.000 1.029 394 D CA 0.242 54.317 54.000 0.125 0.000 0.879 394 D CB 0.045 40.901 40.800 0.092 0.000 0.906 394 D HN 0.453 nan 8.370 nan 0.000 0.528 395 S N 0.557 116.329 115.700 0.120 0.000 2.525 395 S HA 0.045 4.515 4.470 0.001 0.000 0.285 395 S C 1.570 176.193 174.600 0.038 0.000 1.283 395 S CA -0.457 57.802 58.200 0.097 0.000 1.072 395 S CB 0.448 63.651 63.200 0.005 0.000 0.867 395 S HN 0.114 nan 8.310 nan 0.000 0.492 396 L N 5.438 126.639 121.223 -0.036 0.000 2.109 396 L HA -0.057 4.284 4.340 0.001 0.000 0.207 396 L C 2.212 178.974 176.870 -0.180 0.000 1.086 396 L CA 0.968 55.739 54.840 -0.115 0.000 0.760 396 L CB -0.453 41.471 42.059 -0.225 0.000 0.910 396 L HN 0.733 nan 8.230 nan 0.000 0.437 397 I N -0.226 120.042 120.570 -0.503 0.000 2.179 397 I HA -0.279 3.891 4.170 0.001 0.000 0.242 397 I C 2.525 178.520 176.117 -0.204 0.000 1.088 397 I CA 1.635 62.479 61.300 -0.759 0.000 1.357 397 I CB -0.535 36.921 38.000 -0.907 0.000 1.051 397 I HN 0.259 nan 8.210 nan 0.000 0.409 398 T N 0.010 114.495 114.554 -0.114 0.000 2.746 398 T HA -0.166 4.184 4.350 0.001 0.000 0.267 398 T C 1.894 176.614 174.700 0.034 0.000 1.039 398 T CA 2.006 64.099 62.100 -0.012 0.000 1.142 398 T CB -0.398 68.466 68.868 -0.007 0.000 0.866 398 T HN 0.367 nan 8.240 nan 0.000 0.444 399 T N 1.906 116.480 114.554 0.035 0.000 2.652 399 T HA -0.100 4.251 4.350 0.001 0.000 0.267 399 T C 2.183 176.942 174.700 0.098 0.000 1.039 399 T CA 1.150 63.288 62.100 0.062 0.000 1.153 399 T CB -0.605 68.301 68.868 0.064 0.000 0.863 399 T HN 0.144 nan 8.240 nan 0.000 0.428 400 V N 1.130 121.142 119.914 0.162 0.000 2.295 400 V HA -0.148 3.972 4.120 0.001 0.000 0.246 400 V C 2.678 178.894 176.094 0.203 0.000 1.049 400 V CA 1.321 63.758 62.300 0.229 0.000 1.024 400 V CB -0.710 31.402 31.823 0.483 0.000 0.648 400 V HN 0.308 nan 8.190 nan 0.000 0.447 401 V N 0.670 120.727 119.914 0.238 0.000 2.287 401 V HA -0.268 3.853 4.120 0.001 0.000 0.248 401 V C 2.357 178.518 176.094 0.112 0.000 1.053 401 V CA 2.240 64.687 62.300 0.244 0.000 1.027 401 V CB -0.883 31.104 31.823 0.274 0.000 0.646 401 V HN 0.567 nan 8.190 nan 0.000 0.447 402 N N 0.601 119.345 118.700 0.073 0.000 2.120 402 N HA -0.118 4.622 4.740 0.001 0.000 0.188 402 N C 1.838 177.370 175.510 0.036 0.000 1.024 402 N CA 1.724 54.795 53.050 0.035 0.000 0.852 402 N CB -0.560 37.946 38.487 0.031 0.000 1.003 402 N HN 0.498 nan 8.380 nan 0.000 0.424 403 A N 0.652 123.501 122.820 0.048 0.000 2.015 403 A HA 0.016 4.337 4.320 0.001 0.000 0.219 403 A C 2.171 179.763 177.584 0.013 0.000 1.163 403 A CA 0.692 52.750 52.037 0.034 0.000 0.646 403 A CB -0.483 18.542 19.000 0.042 0.000 0.806 403 A HN 0.231 nan 8.150 nan 0.000 0.448 404 L N -1.786 119.441 121.223 0.006 0.000 2.492 404 L HA 0.153 4.494 4.340 0.001 0.000 0.223 404 L C 1.643 178.537 176.870 0.040 0.000 1.132 404 L CA 0.727 55.531 54.840 -0.059 0.000 0.850 404 L CB -0.022 41.963 42.059 -0.122 0.000 0.966 404 L HN 0.589 nan 8.230 nan 0.000 0.454 405 G N -0.982 107.843 108.800 0.042 0.000 2.198 405 G HA2 0.063 4.023 3.960 0.001 0.000 0.156 405 G HA3 0.063 4.023 3.960 0.001 0.000 0.156 405 G C 0.501 175.398 174.900 -0.006 0.000 1.012 405 G CA -0.318 44.807 45.100 0.041 0.000 0.692 405 G HN 0.710 nan 8.290 nan 0.000 0.492 406 G N -1.398 107.378 108.800 -0.040 0.000 2.746 406 G HA2 0.275 4.236 3.960 0.001 0.000 0.685 406 G HA3 0.275 4.236 3.960 0.001 0.000 0.685 406 G C 1.004 175.676 174.900 -0.380 0.000 1.350 406 G CA 0.815 45.829 45.100 -0.144 0.000 0.837 406 G HN 1.816 nan 8.290 nan 0.000 0.564 407 T N -1.895 112.312 114.554 -0.579 0.000 2.946 407 T HA 0.081 4.432 4.350 0.001 0.000 0.271 407 T C 2.527 176.842 174.700 -0.641 0.000 1.104 407 T CA 1.946 63.361 62.100 -1.142 0.000 1.114 407 T CB -0.353 68.109 68.868 -0.675 0.000 0.867 407 T HN 1.975 nan 8.240 nan 0.000 0.513 408 G N 1.610 110.233 108.800 -0.296 0.000 2.470 408 G HA2 -0.056 3.904 3.960 0.001 0.000 0.220 408 G HA3 -0.056 3.904 3.960 0.001 0.000 0.220 408 G C 1.479 176.354 174.900 -0.042 0.000 1.121 408 G CA 0.899 45.925 45.100 -0.123 0.000 0.766 408 G HN 0.771 nan 8.290 nan 0.000 0.553 409 V N -3.070 116.833 119.914 -0.018 0.000 3.633 409 V HA 0.429 4.550 4.120 0.001 0.000 0.283 409 V C 0.468 176.750 176.094 0.314 0.000 1.305 409 V CA -1.082 61.307 62.300 0.148 0.000 1.153 409 V CB -0.977 31.006 31.823 0.266 0.000 0.950 409 V HN -0.037 nan 8.190 nan 0.000 0.432 410 F N 2.208 122.223 119.950 0.107 0.000 2.459 410 F HA 0.361 4.888 4.527 0.001 0.000 0.346 410 F C 1.013 176.842 175.800 0.049 0.000 1.128 410 F CA -1.384 56.677 58.000 0.101 0.000 1.268 410 F CB 0.369 39.422 39.000 0.089 0.000 1.161 410 F HN 0.300 nan 8.300 nan 0.000 0.583 411 E N 2.302 122.627 120.200 0.209 0.000 2.414 411 E HA -0.018 4.332 4.350 0.001 0.000 0.263 411 E C -0.896 175.775 176.600 0.118 0.000 1.000 411 E CA -0.355 56.105 56.400 0.100 0.000 0.914 411 E CB 0.490 30.223 29.700 0.054 0.000 0.948 411 E HN 0.382 nan 8.360 nan 0.000 0.444 412 Q N 2.303 122.154 119.800 0.086 0.000 2.322 412 Q HA 0.331 4.671 4.340 0.001 0.000 0.265 412 Q C -1.159 174.874 176.000 0.055 0.000 0.985 412 Q CA -0.532 55.315 55.803 0.074 0.000 0.849 412 Q CB 1.887 30.662 28.738 0.061 0.000 1.274 412 Q HN 0.553 nan 8.270 nan 0.000 0.449 413 S N 2.046 117.774 115.700 0.046 0.000 2.584 413 S HA 0.194 4.664 4.470 0.001 0.000 0.282 413 S C -0.694 173.923 174.600 0.028 0.000 1.138 413 S CA -0.915 57.311 58.200 0.044 0.000 0.987 413 S CB 1.128 64.373 63.200 0.075 0.000 1.137 413 S HN 0.376 nan 8.310 nan 0.000 0.457 414 Q N 3.181 122.992 119.800 0.020 0.000 2.315 414 Q HA 0.100 4.440 4.340 0.001 0.000 0.289 414 Q C 0.621 176.632 176.000 0.019 0.000 1.044 414 Q CA 0.495 56.305 55.803 0.011 0.000 0.920 414 Q CB 0.256 28.996 28.738 0.004 0.000 1.214 414 Q HN 0.902 nan 8.270 nan 0.000 0.392 415 N N 0.965 119.675 118.700 0.017 0.000 2.322 415 N HA 0.102 4.842 4.740 0.001 0.000 0.270 415 N C -0.513 175.042 175.510 0.075 0.000 1.286 415 N CA -0.442 52.641 53.050 0.055 0.000 0.948 415 N CB 0.481 38.990 38.487 0.036 0.000 1.164 415 N HN 0.411 nan 8.380 nan 0.000 0.551 416 E N -1.080 119.220 120.200 0.167 0.000 2.151 416 E HA 0.336 4.686 4.350 0.001 0.000 0.275 416 E C -0.525 176.224 176.600 0.249 0.000 0.936 416 E CA -0.362 56.142 56.400 0.172 0.000 0.777 416 E CB 0.730 30.604 29.700 0.291 0.000 1.108 416 E HN 0.649 nan 8.360 nan 0.000 0.401 417 L N 2.492 123.811 121.223 0.160 0.000 2.638 417 L HA 0.356 4.696 4.340 0.001 0.000 0.232 417 L C 0.087 177.174 176.870 0.362 0.000 1.099 417 L CA -0.084 54.920 54.840 0.273 0.000 0.883 417 L CB 0.476 42.599 42.059 0.107 0.000 1.136 417 L HN 0.506 nan 8.230 nan 0.000 0.492 418 D N -0.390 120.048 120.400 0.063 0.000 2.280 418 D HA 0.223 4.864 4.640 0.001 0.000 0.236 418 D C -1.174 174.932 176.300 -0.324 0.000 1.082 418 D CA -0.148 53.846 54.000 -0.010 0.000 0.834 418 D CB 0.632 41.414 40.800 -0.029 0.000 1.100 418 D HN -0.077 nan 8.370 nan 0.000 0.486 419 Y N 4.843 125.217 120.300 0.124 0.000 2.662 419 Y HA 0.252 4.803 4.550 0.001 0.000 0.358 419 Y C -1.547 174.397 175.900 0.073 0.000 1.041 419 Y CA -1.601 56.572 58.100 0.122 0.000 1.184 419 Y CB 1.538 40.027 38.460 0.049 0.000 1.114 419 Y HN 0.403 nan 8.280 nan 0.000 0.650 420 P HA -0.167 nan 4.420 nan 0.000 0.219 420 P C 0.824 178.170 177.300 0.076 0.000 1.146 420 P CA 1.523 64.663 63.100 0.068 0.000 0.808 420 P CB 0.379 32.093 31.700 0.023 0.000 0.779 421 V N -3.398 116.589 119.914 0.122 0.000 3.099 421 V HA 0.300 4.420 4.120 0.001 0.000 0.356 421 V C 0.786 176.920 176.094 0.068 0.000 1.364 421 V CA -0.646 61.709 62.300 0.093 0.000 1.229 421 V CB -0.788 31.106 31.823 0.119 0.000 1.227 421 V HN 0.003 nan 8.190 nan 0.000 0.493 422 S N 1.585 117.328 115.700 0.072 0.000 2.549 422 S HA 0.143 4.614 4.470 0.001 0.000 0.279 422 S C 1.369 175.912 174.600 -0.095 0.000 1.321 422 S CA 0.351 58.554 58.200 0.006 0.000 1.054 422 S CB 1.283 64.502 63.200 0.033 0.000 0.899 422 S HN 0.814 nan 8.310 nan 0.000 0.497 423 Q N 3.282 122.935 119.800 -0.245 0.000 2.364 423 Q HA -0.045 4.295 4.340 0.001 0.000 0.207 423 Q C -0.685 175.034 176.000 -0.469 0.000 0.970 423 Q CA 1.049 56.625 55.803 -0.379 0.000 0.888 423 Q CB -0.320 28.102 28.738 -0.527 0.000 0.951 423 Q HN 0.753 nan 8.270 nan 0.000 0.469 424 Y N 2.138 122.380 120.300 -0.096 0.000 2.350 424 Y HA 0.147 4.698 4.550 0.001 0.000 0.340 424 Y C 0.733 176.560 175.900 -0.123 0.000 1.006 424 Y CA -0.980 57.044 58.100 -0.125 0.000 1.166 424 Y CB 0.919 39.262 38.460 -0.194 0.000 1.168 424 Y HN 0.039 nan 8.280 nan 0.000 0.502 425 D N 1.896 122.317 120.400 0.035 0.000 2.104 425 D HA -0.209 4.432 4.640 0.001 0.000 0.194 425 D C 1.533 177.816 176.300 -0.029 0.000 0.994 425 D CA 1.764 55.764 54.000 0.000 0.000 0.830 425 D CB 0.051 40.859 40.800 0.014 0.000 0.959 425 D HN 0.669 nan 8.370 nan 0.000 0.452 426 N N 1.649 120.315 118.700 -0.056 0.000 2.166 426 N HA -0.161 4.579 4.740 0.001 0.000 0.186 426 N C 2.062 177.456 175.510 -0.193 0.000 1.019 426 N CA 0.694 53.673 53.050 -0.117 0.000 0.856 426 N CB -0.993 37.390 38.487 -0.174 0.000 0.993 426 N HN 0.275 nan 8.380 nan 0.000 0.426 427 L N 0.061 121.132 121.223 -0.253 0.000 2.095 427 L HA 0.106 4.446 4.340 0.001 0.000 0.204 427 L C 2.858 179.565 176.870 -0.273 0.000 1.080 427 L CA 0.689 55.260 54.840 -0.448 0.000 0.759 427 L CB -0.193 41.560 42.059 -0.511 0.000 0.914 427 L HN 0.070 nan 8.230 nan 0.000 0.439 428 R N 0.089 120.525 120.500 -0.107 0.000 2.127 428 R HA -0.172 4.168 4.340 0.001 0.000 0.238 428 R C 1.253 177.548 176.300 -0.008 0.000 1.134 428 R CA 1.988 58.079 56.100 -0.014 0.000 0.975 428 R CB -0.274 30.026 30.300 -0.000 0.000 0.865 428 R HN 0.544 nan 8.270 nan 0.000 0.447 429 N N -1.053 117.625 118.700 -0.036 0.000 2.314 429 N HA 0.083 4.824 4.740 0.001 0.000 0.200 429 N C 0.223 175.735 175.510 0.003 0.000 1.135 429 N CA 0.319 53.364 53.050 -0.010 0.000 0.835 429 N CB 0.986 39.466 38.487 -0.010 0.000 0.989 429 N HN 0.395 nan 8.380 nan 0.000 0.478 430 G N 1.307 110.101 108.800 -0.011 0.000 2.143 430 G HA2 -0.329 3.631 3.960 0.001 0.000 0.249 430 G HA3 -0.329 3.631 3.960 0.001 0.000 0.249 430 G C 0.369 175.342 174.900 0.122 0.000 0.981 430 G CA 0.132 45.295 45.100 0.105 0.000 0.665 430 G HN 0.314 nan 8.290 nan 0.000 0.528 431 M N -0.570 119.002 119.600 -0.048 0.000 2.632 431 M HA -0.138 4.342 4.480 0.001 0.000 0.184 431 M C 0.727 177.043 176.300 0.027 0.000 0.976 431 M CA 0.565 55.848 55.300 -0.028 0.000 0.612 431 M CB -1.165 31.465 32.600 0.049 0.000 1.181 431 M HN 0.583 nan 8.290 nan 0.000 0.840 432 Q N 0.000 119.806 119.800 0.009 0.000 2.315 432 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 432 Q CA 0.000 55.811 55.803 0.014 0.000 1.022 432 Q CB 0.000 28.745 28.738 0.012 0.000 1.108 432 Q HN 0.000 nan 8.270 nan 0.000 0.481