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 2zf4_1_D DATA FIRST_RESID 7 DATA SEQUENCE PLLPARWSSA YVSYWSPMLP DDQLTSGYCW FDYERDICRI DGLFNPWSER DATA SEQUENCE DTGYRLWMSE VGNAASGRTW KQKVAYGRER TALGEQLCER PLDDETGPFA DATA SEQUENCE ELFLPRDVLR RLGARHIGRR VVLGREADGW RYQRPXXGPS TLYLDAASGT DATA SEQUENCE PLRMVTGDEX XRASLRDFPN VSEAEIPDAV FAA 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.085 177.300 -0.358 0.000 1.155 7 P CA 0.000 62.865 63.100 -0.391 0.000 0.800 7 P CB 0.000 31.350 31.700 -0.583 0.000 0.726 8 L N 2.604 123.677 121.223 -0.251 0.000 2.350 8 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 8 L C 0.077 176.816 176.870 -0.217 0.000 1.099 8 L CA -0.498 54.199 54.840 -0.238 0.000 0.808 8 L CB 0.624 42.575 42.059 -0.180 0.000 1.149 8 L HN 0.341 nan 8.230 nan 0.000 0.442 9 L N 5.699 126.771 121.223 -0.252 0.000 2.473 9 L HA 0.231 4.571 4.340 -0.000 0.000 0.268 9 L C -1.846 175.007 176.870 -0.029 0.000 1.215 9 L CA -0.968 53.756 54.840 -0.192 0.000 0.823 9 L CB -0.609 41.336 42.059 -0.190 0.000 1.099 9 L HN 0.525 nan 8.230 nan 0.000 0.483 10 P HA -0.003 nan 4.420 nan 0.000 0.267 10 P C -0.076 177.450 177.300 0.376 0.000 1.200 10 P CA 0.146 63.347 63.100 0.169 0.000 0.772 10 P CB 0.484 32.285 31.700 0.169 0.000 0.855 11 A N 3.850 126.837 122.820 0.278 0.000 1.948 11 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 11 A C 0.870 178.679 177.584 0.375 0.000 1.177 11 A CA 1.512 53.738 52.037 0.314 0.000 0.636 11 A CB -0.583 18.526 19.000 0.182 0.000 0.815 11 A HN 0.695 nan 8.150 nan 0.000 0.449 12 R N -1.683 119.003 120.500 0.310 0.000 2.651 12 R HA 0.570 4.910 4.340 -0.000 0.000 0.278 12 R C -1.240 175.271 176.300 0.353 0.000 1.010 12 R CA -0.756 55.479 56.100 0.224 0.000 0.896 12 R CB 1.069 31.470 30.300 0.168 0.000 1.211 12 R HN 0.668 nan 8.270 nan 0.000 0.456 13 W N 0.450 121.818 121.300 0.113 0.000 3.213 13 W HA 0.610 5.270 4.660 -0.000 0.000 0.318 13 W C -1.741 174.850 176.519 0.119 0.000 1.248 13 W CA -1.038 56.364 57.345 0.095 0.000 1.187 13 W CB 1.321 30.798 29.460 0.029 0.000 1.403 13 W HN 0.864 nan 8.180 nan 0.000 0.556 14 S N 1.318 117.110 115.700 0.153 0.000 2.564 14 S HA 0.806 5.275 4.470 -0.000 0.000 0.274 14 S C -1.418 173.068 174.600 -0.190 0.000 1.124 14 S CA -0.568 57.520 58.200 -0.186 0.000 0.869 14 S CB 2.211 65.318 63.200 -0.155 0.000 1.105 14 S HN 0.951 nan 8.310 nan 0.000 0.472 15 S N 0.344 115.617 115.700 -0.712 0.000 2.552 15 S HA 0.702 5.172 4.470 -0.000 0.000 0.272 15 S C -0.449 173.559 174.600 -0.988 0.000 1.150 15 S CA -0.213 57.693 58.200 -0.490 0.000 0.849 15 S CB 1.071 64.360 63.200 0.149 0.000 1.113 15 S HN 1.808 nan 8.310 nan 0.000 0.458 16 A N 2.013 124.606 122.820 -0.380 0.000 2.448 16 A HA 0.607 4.927 4.320 -0.000 0.000 0.239 16 A C -0.575 177.089 177.584 0.132 0.000 1.080 16 A CA 0.274 52.270 52.037 -0.069 0.000 0.779 16 A CB -0.286 18.775 19.000 0.101 0.000 1.026 16 A HN 1.417 nan 8.150 nan 0.000 0.499 17 Y N -1.720 118.607 120.300 0.046 0.000 2.581 17 Y HA 0.709 5.259 4.550 -0.000 0.000 0.345 17 Y C -1.055 174.835 175.900 -0.017 0.000 1.036 17 Y CA -1.530 56.584 58.100 0.025 0.000 1.042 17 Y CB 1.247 39.758 38.460 0.084 0.000 1.289 17 Y HN 0.387 nan 8.280 nan 0.000 0.471 18 V N 2.499 122.433 119.914 0.034 0.000 2.525 18 V HA 0.560 4.680 4.120 -0.000 0.000 0.299 18 V C -0.737 175.454 176.094 0.162 0.000 1.034 18 V CA -0.549 61.766 62.300 0.025 0.000 0.863 18 V CB 1.405 33.237 31.823 0.015 0.000 0.999 18 V HN 0.889 nan 8.190 nan 0.000 0.423 19 S N 4.861 120.674 115.700 0.188 0.000 2.502 19 S HA 0.923 5.393 4.470 -0.000 0.000 0.304 19 S C -1.000 173.674 174.600 0.124 0.000 1.097 19 S CA -0.332 57.917 58.200 0.082 0.000 1.045 19 S CB 1.146 64.409 63.200 0.104 0.000 1.019 19 S HN 0.888 nan 8.310 nan 0.000 0.481 20 Y N 1.297 121.411 120.300 -0.310 0.000 2.982 20 Y HA 0.844 5.394 4.550 -0.000 0.000 0.312 20 Y C -2.266 173.278 175.900 -0.593 0.000 1.601 20 Y CA -1.864 56.083 58.100 -0.256 0.000 1.092 20 Y CB 0.367 38.793 38.460 -0.058 0.000 1.918 20 Y HN 0.591 nan 8.280 nan 0.000 0.425 21 W N 0.098 121.446 121.300 0.080 0.000 3.127 21 W HA 0.681 5.341 4.660 -0.000 0.000 0.330 21 W C -0.958 175.588 176.519 0.045 0.000 1.187 21 W CA -0.799 56.539 57.345 -0.013 0.000 1.198 21 W CB 2.425 31.896 29.460 0.019 0.000 1.408 21 W HN 0.551 nan 8.180 nan 0.000 0.529 22 S N 2.924 118.756 115.700 0.220 0.000 2.707 22 S HA 0.635 5.105 4.470 -0.000 0.000 0.303 22 S C -2.611 172.074 174.600 0.142 0.000 1.132 22 S CA -1.541 56.752 58.200 0.155 0.000 1.046 22 S CB 0.845 64.089 63.200 0.073 0.000 1.004 22 S HN 0.078 nan 8.310 nan 0.000 0.483 23 P HA 0.281 nan 4.420 nan 0.000 0.274 23 P C -0.727 176.663 177.300 0.151 0.000 1.246 23 P CA -0.623 62.543 63.100 0.110 0.000 0.795 23 P CB 0.373 32.111 31.700 0.063 0.000 1.006 24 M N 1.958 121.642 119.600 0.139 0.000 2.135 24 M HA 0.219 4.699 4.480 -0.000 0.000 0.345 24 M C -1.157 175.187 176.300 0.074 0.000 1.340 24 M CA -0.488 54.904 55.300 0.153 0.000 1.162 24 M CB -1.020 31.668 32.600 0.146 0.000 1.570 24 M HN 0.091 nan 8.290 nan 0.000 0.454 25 L N 8.421 129.664 121.223 0.034 0.000 2.418 25 L HA 0.425 4.765 4.340 -0.000 0.000 0.265 25 L C -1.207 175.657 176.870 -0.011 0.000 1.143 25 L CA -1.337 53.493 54.840 -0.016 0.000 0.809 25 L CB 0.159 42.170 42.059 -0.081 0.000 1.124 25 L HN 0.523 nan 8.230 nan 0.000 0.456 26 P HA -0.203 nan 4.420 nan 0.000 0.216 26 P C 0.398 177.693 177.300 -0.008 0.000 1.157 26 P CA 1.490 64.585 63.100 -0.008 0.000 0.880 26 P CB 0.248 31.940 31.700 -0.013 0.000 0.791 27 D N -0.817 119.566 120.400 -0.029 0.000 2.349 27 D HA -0.002 4.637 4.640 -0.000 0.000 0.224 27 D C 0.088 176.371 176.300 -0.029 0.000 1.029 27 D CA 0.544 54.527 54.000 -0.029 0.000 0.879 27 D CB -0.340 40.430 40.800 -0.050 0.000 0.906 27 D HN 0.203 nan 8.370 nan 0.000 0.528 28 D N 1.571 121.951 120.400 -0.033 0.000 2.350 28 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 28 D C 0.671 177.039 176.300 0.113 0.000 1.119 28 D CA 0.189 54.189 54.000 -0.001 0.000 0.886 28 D CB 1.056 41.859 40.800 0.006 0.000 1.195 28 D HN -0.101 nan 8.370 nan 0.000 0.437 29 Q N 1.122 121.030 119.800 0.180 0.000 2.230 29 Q HA 0.355 4.694 4.340 -0.000 0.000 0.253 29 Q C -0.487 175.653 176.000 0.232 0.000 0.919 29 Q CA -0.942 54.969 55.803 0.180 0.000 0.908 29 Q CB 2.346 31.182 28.738 0.163 0.000 1.245 29 Q HN 0.325 nan 8.270 nan 0.000 0.437 30 L N 2.490 123.801 121.223 0.147 0.000 2.265 30 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 30 L C -0.300 176.617 176.870 0.080 0.000 1.058 30 L CA 0.284 55.191 54.840 0.112 0.000 0.809 30 L CB 0.898 42.965 42.059 0.013 0.000 1.179 30 L HN 0.716 nan 8.230 nan 0.000 0.429 31 T N 1.051 115.658 114.554 0.088 0.000 2.907 31 T HA 0.924 5.274 4.350 -0.000 0.000 0.290 31 T C -0.365 174.315 174.700 -0.033 0.000 1.066 31 T CA -0.262 61.867 62.100 0.049 0.000 1.012 31 T CB 1.665 70.591 68.868 0.098 0.000 1.184 31 T HN 0.719 nan 8.240 nan 0.000 0.522 32 S N -0.858 114.764 115.700 -0.130 0.000 2.618 32 S HA 0.996 5.465 4.470 -0.000 0.000 0.277 32 S C -0.072 174.208 174.600 -0.534 0.000 1.138 32 S CA -0.349 57.635 58.200 -0.359 0.000 0.844 32 S CB 1.585 64.664 63.200 -0.203 0.000 1.127 32 S HN 1.689 nan 8.310 nan 0.000 0.474 33 G N -0.311 107.909 108.800 -0.966 0.000 2.588 33 G HA2 0.557 4.517 3.960 -0.000 0.000 0.281 33 G HA3 0.557 4.517 3.960 -0.000 0.000 0.281 33 G C -2.435 172.318 174.900 -0.244 0.000 1.223 33 G CA -0.563 44.198 45.100 -0.565 0.000 0.871 33 G HN 0.878 nan 8.290 nan 0.000 0.492 34 Y N -0.676 119.663 120.300 0.066 0.000 2.544 34 Y HA 0.547 5.097 4.550 -0.000 0.000 0.342 34 Y C -0.100 175.788 175.900 -0.021 0.000 1.062 34 Y CA -0.725 57.352 58.100 -0.038 0.000 1.023 34 Y CB 2.112 40.389 38.460 -0.304 0.000 1.308 34 Y HN 1.122 nan 8.280 nan 0.000 0.457 35 C N 1.780 120.757 119.300 -0.539 0.000 3.090 35 C HA 0.752 5.212 4.460 -0.000 0.000 0.305 35 C C -1.880 172.762 174.990 -0.581 0.000 1.292 35 C CA -0.948 57.901 59.018 -0.281 0.000 1.482 35 C CB 1.663 29.356 27.740 -0.077 0.000 1.897 35 C HN 0.866 nan 8.230 nan 0.000 0.469 36 W N 1.080 122.169 121.300 -0.351 0.000 2.998 36 W HA 0.623 5.283 4.660 -0.000 0.000 0.335 36 W C -1.845 174.300 176.519 -0.624 0.000 1.110 36 W CA -0.616 56.541 57.345 -0.314 0.000 1.230 36 W CB 2.187 31.567 29.460 -0.132 0.000 1.405 36 W HN 0.633 nan 8.180 nan 0.000 0.493 37 F N 2.113 121.835 119.950 -0.381 0.000 2.536 37 F HA 0.199 4.726 4.527 -0.000 0.000 0.322 37 F C -0.039 175.444 175.800 -0.529 0.000 1.144 37 F CA -0.603 57.026 58.000 -0.618 0.000 0.924 37 F CB 1.641 39.921 39.000 -1.200 0.000 1.181 37 F HN 0.015 nan 8.300 nan 0.000 0.438 38 D N 3.088 123.287 120.400 -0.336 0.000 2.440 38 D HA 0.162 4.802 4.640 -0.000 0.000 0.252 38 D C -0.065 176.083 176.300 -0.253 0.000 1.180 38 D CA -0.269 53.588 54.000 -0.238 0.000 0.894 38 D CB 0.703 41.408 40.800 -0.158 0.000 1.111 38 D HN 0.413 nan 8.370 nan 0.000 0.544 39 Y N 1.445 121.790 120.300 0.075 0.000 2.516 39 Y HA -0.009 4.541 4.550 -0.000 0.000 0.291 39 Y C 2.110 178.019 175.900 0.015 0.000 1.131 39 Y CA 0.398 58.531 58.100 0.056 0.000 1.281 39 Y CB 0.269 38.780 38.460 0.086 0.000 1.013 39 Y HN 0.380 nan 8.280 nan 0.000 0.554 40 E N 0.278 120.549 120.200 0.118 0.000 2.051 40 E HA -0.064 4.285 4.350 -0.000 0.000 0.189 40 E C 2.027 178.631 176.600 0.007 0.000 0.979 40 E CA 0.645 57.083 56.400 0.063 0.000 0.803 40 E CB -0.310 29.425 29.700 0.057 0.000 0.761 40 E HN 0.474 nan 8.360 nan 0.000 0.451 41 R N 0.822 121.291 120.500 -0.050 0.000 2.148 41 R HA -0.075 4.265 4.340 -0.000 0.000 0.223 41 R C -0.004 176.224 176.300 -0.119 0.000 1.088 41 R CA 0.783 56.816 56.100 -0.111 0.000 0.985 41 R CB -0.150 30.021 30.300 -0.215 0.000 0.880 41 R HN 0.048 nan 8.270 nan 0.000 0.451 42 D N 0.014 120.359 120.400 -0.092 0.000 2.872 42 D HA -0.156 4.484 4.640 -0.000 0.000 0.248 42 D C -1.090 175.140 176.300 -0.116 0.000 1.104 42 D CA 0.684 54.664 54.000 -0.034 0.000 0.784 42 D CB -1.044 39.761 40.800 0.010 0.000 1.036 42 D HN 0.289 nan 8.370 nan 0.000 0.426 43 I N 0.239 120.650 120.570 -0.264 0.000 2.842 43 I HA 0.584 4.754 4.170 -0.000 0.000 0.297 43 I C -0.837 174.986 176.117 -0.490 0.000 1.380 43 I CA -0.489 60.556 61.300 -0.424 0.000 1.018 43 I CB 1.561 39.120 38.000 -0.735 0.000 1.311 43 I HN 0.470 nan 8.210 nan 0.000 0.439 44 C N 4.732 123.851 119.300 -0.302 0.000 3.080 44 C HA 0.816 5.276 4.460 -0.000 0.000 0.307 44 C C -0.979 174.025 174.990 0.023 0.000 1.311 44 C CA -0.812 58.038 59.018 -0.279 0.000 1.533 44 C CB 2.120 29.526 27.740 -0.557 0.000 1.970 44 C HN 0.966 nan 8.230 nan 0.000 0.467 45 R N 1.077 121.635 120.500 0.098 0.000 2.673 45 R HA 0.803 5.143 4.340 -0.000 0.000 0.281 45 R C -1.925 174.512 176.300 0.228 0.000 0.991 45 R CA -0.645 55.578 56.100 0.205 0.000 0.896 45 R CB 1.692 32.082 30.300 0.150 0.000 1.201 45 R HN 0.947 nan 8.270 nan 0.000 0.457 46 I N 3.071 123.767 120.570 0.210 0.000 2.500 46 I HA 0.247 4.416 4.170 -0.000 0.000 0.286 46 I C -1.197 175.045 176.117 0.207 0.000 1.063 46 I CA -0.824 60.581 61.300 0.174 0.000 1.062 46 I CB 2.266 40.246 38.000 -0.033 0.000 1.223 46 I HN 0.387 nan 8.210 nan 0.000 0.435 47 D N 4.759 125.377 120.400 0.364 0.000 2.192 47 D HA 0.812 5.452 4.640 -0.000 0.000 0.246 47 D C 0.095 176.585 176.300 0.317 0.000 1.042 47 D CA 0.051 54.221 54.000 0.283 0.000 0.847 47 D CB 2.259 43.383 40.800 0.539 0.000 1.186 47 D HN 0.825 nan 8.370 nan 0.000 0.461 48 G N 0.290 109.128 108.800 0.064 0.000 2.328 48 G HA2 0.200 4.160 3.960 -0.000 0.000 0.299 48 G HA3 0.200 4.160 3.960 -0.000 0.000 0.299 48 G C -1.423 173.519 174.900 0.071 0.000 1.435 48 G CA -1.087 44.141 45.100 0.214 0.000 0.865 48 G HN 0.396 nan 8.290 nan 0.000 0.601 49 L N 0.788 122.156 121.223 0.243 0.000 2.462 49 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 49 L C 0.553 177.538 176.870 0.191 0.000 1.166 49 L CA -0.389 54.585 54.840 0.224 0.000 0.880 49 L CB 0.381 42.563 42.059 0.206 0.000 1.142 49 L HN 0.515 nan 8.230 nan 0.000 0.473 50 F N 4.685 124.653 119.950 0.031 0.000 2.578 50 F HA 0.107 4.634 4.527 -0.000 0.000 0.376 50 F C 0.454 176.389 175.800 0.225 0.000 1.085 50 F CA 0.253 58.300 58.000 0.078 0.000 1.260 50 F CB 0.256 39.254 39.000 -0.004 0.000 1.095 50 F HN 0.450 nan 8.300 nan 0.000 0.573 51 N N 6.966 125.379 118.700 -0.479 0.000 2.352 51 N HA 0.414 5.154 4.740 -0.000 0.000 0.291 51 N C -3.023 172.324 175.510 -0.272 0.000 1.040 51 N CA -1.868 51.114 53.050 -0.113 0.000 0.864 51 N CB 2.122 40.646 38.487 0.060 0.000 1.440 51 N HN 0.241 nan 8.380 nan 0.000 0.483 52 P HA 0.301 nan 4.420 nan 0.000 0.285 52 P C -0.932 176.605 177.300 0.395 0.000 1.259 52 P CA -0.443 62.818 63.100 0.269 0.000 0.794 52 P CB 1.052 32.802 31.700 0.083 0.000 0.940 53 W N 2.869 124.271 121.300 0.169 0.000 2.756 53 W HA 0.230 4.890 4.660 -0.000 0.000 0.333 53 W C -1.103 175.443 176.519 0.045 0.000 1.025 53 W CA -0.625 56.827 57.345 0.177 0.000 1.246 53 W CB 2.367 31.994 29.460 0.277 0.000 1.358 53 W HN 0.259 nan 8.180 nan 0.000 0.444 54 S N 3.439 118.948 115.700 -0.318 0.000 2.414 54 S HA -0.005 4.465 4.470 -0.000 0.000 0.290 54 S C 1.079 175.558 174.600 -0.203 0.000 1.160 54 S CA 0.267 58.328 58.200 -0.232 0.000 1.069 54 S CB 0.748 63.778 63.200 -0.283 0.000 1.012 54 S HN 0.672 nan 8.310 nan 0.000 0.510 55 E N 4.632 124.848 120.200 0.026 0.000 2.106 55 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 55 E C 2.107 178.714 176.600 0.010 0.000 0.984 55 E CA 0.963 57.408 56.400 0.075 0.000 0.806 55 E CB -0.059 29.728 29.700 0.145 0.000 0.750 55 E HN 0.813 nan 8.360 nan 0.000 0.458 56 R N 0.647 121.138 120.500 -0.016 0.000 2.097 56 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 56 R C 1.536 177.804 176.300 -0.054 0.000 1.135 56 R CA 2.327 58.410 56.100 -0.027 0.000 0.934 56 R CB -0.329 29.948 30.300 -0.039 0.000 0.846 56 R HN 0.190 nan 8.270 nan 0.000 0.431 57 D N -1.241 119.091 120.400 -0.113 0.000 2.317 57 D HA -0.056 4.584 4.640 -0.000 0.000 0.211 57 D C 1.155 177.377 176.300 -0.129 0.000 0.966 57 D CA 1.191 55.113 54.000 -0.130 0.000 0.876 57 D CB 0.435 41.123 40.800 -0.187 0.000 0.927 57 D HN 0.336 nan 8.370 nan 0.000 0.519 58 T N -1.975 112.490 114.554 -0.148 0.000 2.989 58 T HA 0.292 4.642 4.350 -0.000 0.000 0.250 58 T C 1.277 176.000 174.700 0.038 0.000 0.981 58 T CA 0.919 62.930 62.100 -0.148 0.000 0.980 58 T CB 0.900 69.495 68.868 -0.455 0.000 1.133 58 T HN 0.230 nan 8.240 nan 0.000 0.489 59 G N 0.991 109.832 108.800 0.068 0.000 2.194 59 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.236 59 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.236 59 G C -0.019 175.073 174.900 0.319 0.000 0.987 59 G CA 0.404 45.617 45.100 0.190 0.000 0.635 59 G HN 0.805 nan 8.290 nan 0.000 0.520 60 Y N -1.328 119.130 120.300 0.264 0.000 2.638 60 Y HA 0.864 5.413 4.550 -0.000 0.000 0.335 60 Y C -0.504 175.647 175.900 0.418 0.000 1.155 60 Y CA -2.011 56.263 58.100 0.290 0.000 1.046 60 Y CB 0.798 39.391 38.460 0.222 0.000 1.303 60 Y HN 0.094 nan 8.280 nan 0.000 0.460 61 R N 1.943 122.733 120.500 0.485 0.000 2.532 61 R HA 0.546 4.886 4.340 -0.000 0.000 0.295 61 R C -1.653 174.784 176.300 0.228 0.000 0.968 61 R CA -1.086 55.210 56.100 0.327 0.000 0.916 61 R CB 2.393 32.870 30.300 0.295 0.000 1.124 61 R HN 0.853 nan 8.270 nan 0.000 0.463 62 L N 2.853 123.939 121.223 -0.228 0.000 2.282 62 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 62 L C -1.034 175.880 176.870 0.074 0.000 1.033 62 L CA -0.465 54.231 54.840 -0.240 0.000 0.807 62 L CB 1.009 42.458 42.059 -1.017 0.000 1.209 62 L HN 0.643 nan 8.230 nan 0.000 0.423 63 W N 7.496 128.845 121.300 0.081 0.000 2.417 63 W HA 0.650 5.310 4.660 -0.000 0.000 0.317 63 W C -0.995 175.551 176.519 0.045 0.000 1.121 63 W CA -0.830 56.581 57.345 0.110 0.000 1.208 63 W CB 1.216 30.791 29.460 0.192 0.000 1.253 63 W HN 0.617 nan 8.180 nan 0.000 0.533 64 M N 5.821 124.734 119.600 -1.145 0.000 2.378 64 M HA 0.338 4.818 4.480 -0.000 0.000 0.289 64 M C -1.394 174.092 176.300 -1.356 0.000 1.136 64 M CA -0.405 54.252 55.300 -1.072 0.000 0.917 64 M CB 2.129 34.452 32.600 -0.463 0.000 1.669 64 M HN 0.347 nan 8.290 nan 0.000 0.461 65 S N 3.149 118.225 115.700 -1.039 0.000 2.498 65 S HA 0.465 4.935 4.470 -0.000 0.000 0.317 65 S C -1.336 173.137 174.600 -0.213 0.000 1.090 65 S CA -0.495 57.462 58.200 -0.405 0.000 1.089 65 S CB 1.012 64.195 63.200 -0.027 0.000 0.997 65 S HN 0.802 nan 8.310 nan 0.000 0.470 66 E N 4.037 124.206 120.200 -0.052 0.000 2.199 66 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 66 E C -1.543 175.133 176.600 0.126 0.000 0.882 66 E CA -0.764 55.643 56.400 0.011 0.000 0.759 66 E CB 1.572 31.294 29.700 0.037 0.000 1.148 66 E HN 0.466 nan 8.360 nan 0.000 0.412 67 V N 3.856 123.886 119.914 0.193 0.000 2.328 67 V HA 0.482 4.601 4.120 -0.000 0.000 0.278 67 V C 0.380 176.391 176.094 -0.137 0.000 1.021 67 V CA -0.506 61.862 62.300 0.114 0.000 0.838 67 V CB 1.357 33.291 31.823 0.185 0.000 0.999 67 V HN 0.744 nan 8.190 nan 0.000 0.447 68 G N 2.997 111.568 108.800 -0.382 0.000 2.377 68 G HA2 0.332 4.292 3.960 -0.000 0.000 0.316 68 G HA3 0.332 4.292 3.960 -0.000 0.000 0.316 68 G C -0.317 174.276 174.900 -0.511 0.000 1.115 68 G CA -0.420 44.006 45.100 -1.123 0.000 0.952 68 G HN 0.542 nan 8.290 nan 0.000 0.441 69 N N 2.191 120.714 118.700 -0.294 0.000 2.589 69 N HA 0.356 5.095 4.740 -0.000 0.000 0.232 69 N C 1.098 176.691 175.510 0.138 0.000 1.015 69 N CA -0.285 52.729 53.050 -0.060 0.000 0.931 69 N CB 1.476 39.917 38.487 -0.077 0.000 1.150 69 N HN 0.369 nan 8.380 nan 0.000 0.512 70 A N 3.012 125.955 122.820 0.206 0.000 2.119 70 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 70 A C 1.979 179.604 177.584 0.069 0.000 1.153 70 A CA 1.315 53.456 52.037 0.173 0.000 0.692 70 A CB -0.343 18.721 19.000 0.107 0.000 0.799 70 A HN 0.656 nan 8.150 nan 0.000 0.458 71 A N 0.538 123.377 122.820 0.033 0.000 1.873 71 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 71 A C 2.481 180.072 177.584 0.012 0.000 1.186 71 A CA 2.194 54.236 52.037 0.008 0.000 0.616 71 A CB -0.858 18.131 19.000 -0.019 0.000 0.823 71 A HN 0.944 nan 8.150 nan 0.000 0.442 72 S N -1.960 113.749 115.700 0.014 0.000 2.470 72 S HA 0.348 4.817 4.470 -0.000 0.000 0.225 72 S C 1.450 176.074 174.600 0.039 0.000 1.006 72 S CA 1.108 59.318 58.200 0.017 0.000 0.934 72 S CB -0.367 62.836 63.200 0.005 0.000 0.778 72 S HN 2.000 nan 8.310 nan 0.000 0.517 73 G N 1.504 110.347 108.800 0.071 0.000 2.160 73 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 73 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 73 G C -0.095 174.884 174.900 0.132 0.000 1.022 73 G CA -0.081 45.077 45.100 0.098 0.000 0.741 73 G HN 0.539 nan 8.290 nan 0.000 0.508 74 R N -0.590 119.984 120.500 0.125 0.000 2.686 74 R HA 0.711 5.051 4.340 -0.000 0.000 0.283 74 R C -0.669 175.635 176.300 0.006 0.000 0.978 74 R CA -0.412 55.741 56.100 0.089 0.000 0.897 74 R CB 1.877 32.208 30.300 0.052 0.000 1.192 74 R HN 0.186 nan 8.270 nan 0.000 0.457 75 T N 0.513 115.053 114.554 -0.024 0.000 2.940 75 T HA 0.616 4.966 4.350 -0.000 0.000 0.288 75 T C -1.630 173.090 174.700 0.034 0.000 1.033 75 T CA -0.493 61.498 62.100 -0.181 0.000 1.033 75 T CB 1.130 69.810 68.868 -0.313 0.000 1.079 75 T HN 0.556 nan 8.240 nan 0.000 0.496 76 W N 2.878 124.078 121.300 -0.166 0.000 3.097 76 W HA 0.661 5.321 4.660 -0.000 0.000 0.335 76 W C -1.722 174.746 176.519 -0.085 0.000 1.114 76 W CA -0.699 56.590 57.345 -0.094 0.000 1.231 76 W CB 1.158 30.572 29.460 -0.077 0.000 1.388 76 W HN 0.561 nan 8.180 nan 0.000 0.485 77 K N 4.520 124.397 120.400 -0.871 0.000 2.507 77 K HA 0.219 4.538 4.320 -0.000 0.000 0.252 77 K C -0.895 174.998 176.600 -1.179 0.000 0.943 77 K CA -0.852 54.936 56.287 -0.831 0.000 0.808 77 K CB 2.281 34.525 32.500 -0.426 0.000 1.142 77 K HN 0.503 nan 8.250 nan 0.000 0.426 78 Q N 3.356 122.483 119.800 -1.122 0.000 2.241 78 Q HA 0.302 4.642 4.340 -0.000 0.000 0.254 78 Q C -1.169 174.648 176.000 -0.304 0.000 0.917 78 Q CA -0.454 54.980 55.803 -0.616 0.000 0.919 78 Q CB 0.971 29.530 28.738 -0.299 0.000 1.237 78 Q HN 0.422 nan 8.270 nan 0.000 0.434 79 K N 2.431 122.748 120.400 -0.138 0.000 2.468 79 K HA 0.547 4.866 4.320 -0.000 0.000 0.252 79 K C -1.580 175.062 176.600 0.069 0.000 0.932 79 K CA -0.796 55.447 56.287 -0.074 0.000 0.794 79 K CB 2.463 34.861 32.500 -0.170 0.000 1.241 79 K HN 0.361 nan 8.250 nan 0.000 0.428 80 V N 1.726 121.765 119.914 0.208 0.000 2.531 80 V HA 0.469 4.588 4.120 -0.000 0.000 0.301 80 V C -0.475 175.608 176.094 -0.018 0.000 1.034 80 V CA -0.979 61.369 62.300 0.080 0.000 0.865 80 V CB 1.612 33.521 31.823 0.144 0.000 0.995 80 V HN 0.924 nan 8.190 nan 0.000 0.424 81 A N 4.227 126.909 122.820 -0.230 0.000 2.328 81 A HA 0.704 5.024 4.320 -0.000 0.000 0.284 81 A C -1.030 176.358 177.584 -0.326 0.000 1.160 81 A CA -0.119 51.756 52.037 -0.270 0.000 0.818 81 A CB 0.076 18.679 19.000 -0.662 0.000 1.087 81 A HN 0.768 nan 8.150 nan 0.000 0.504 82 Y N 1.896 122.256 120.300 0.101 0.000 2.841 82 Y HA 0.434 4.984 4.550 -0.000 0.000 0.329 82 Y C 1.150 177.156 175.900 0.176 0.000 1.062 82 Y CA -0.073 58.093 58.100 0.109 0.000 1.281 82 Y CB 1.328 39.856 38.460 0.114 0.000 1.147 82 Y HN 0.795 nan 8.280 nan 0.000 0.521 83 G N 2.877 111.774 108.800 0.163 0.000 2.372 83 G HA2 0.419 4.379 3.960 -0.000 0.000 0.283 83 G HA3 0.419 4.379 3.960 -0.000 0.000 0.283 83 G C -0.383 174.620 174.900 0.172 0.000 1.177 83 G CA -0.995 44.228 45.100 0.205 0.000 0.842 83 G HN 0.686 nan 8.290 nan 0.000 0.503 84 R N 1.038 121.646 120.500 0.181 0.000 2.539 84 R HA 0.478 4.818 4.340 -0.000 0.000 0.275 84 R C -0.264 176.094 176.300 0.097 0.000 1.077 84 R CA -0.510 55.668 56.100 0.131 0.000 1.097 84 R CB 0.723 31.096 30.300 0.122 0.000 1.018 84 R HN 0.618 nan 8.270 nan 0.000 0.483 85 E N 1.992 122.238 120.200 0.076 0.000 2.308 85 E HA 0.304 4.653 4.350 -0.000 0.000 0.275 85 E C -1.143 175.486 176.600 0.048 0.000 0.890 85 E CA -1.141 55.293 56.400 0.057 0.000 0.754 85 E CB 1.803 31.531 29.700 0.046 0.000 1.207 85 E HN 0.549 nan 8.360 nan 0.000 0.426 86 R N 2.325 122.849 120.500 0.041 0.000 2.230 86 R HA 0.242 4.582 4.340 -0.000 0.000 0.337 86 R C -0.548 175.768 176.300 0.027 0.000 1.063 86 R CA -0.071 56.049 56.100 0.033 0.000 0.935 86 R CB 1.402 31.720 30.300 0.031 0.000 1.121 86 R HN 0.660 nan 8.270 nan 0.000 0.486 87 T N 0.481 115.050 114.554 0.026 0.000 2.910 87 T HA 0.348 4.698 4.350 -0.000 0.000 0.279 87 T C 1.367 176.078 174.700 0.018 0.000 0.989 87 T CA -0.026 62.087 62.100 0.021 0.000 0.968 87 T CB 1.405 70.285 68.868 0.021 0.000 1.135 87 T HN 0.587 nan 8.240 nan 0.000 0.562 88 A N 0.655 123.484 122.820 0.015 0.000 2.125 88 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 88 A C 1.674 179.265 177.584 0.013 0.000 1.156 88 A CA 1.187 53.231 52.037 0.012 0.000 0.671 88 A CB -0.666 18.340 19.000 0.010 0.000 0.794 88 A HN 0.682 nan 8.150 nan 0.000 0.459 89 L N -1.343 119.888 121.223 0.014 0.000 2.910 89 L HA 0.443 4.783 4.340 -0.000 0.000 0.252 89 L C 1.001 177.881 176.870 0.016 0.000 1.195 89 L CA 0.193 55.042 54.840 0.014 0.000 1.003 89 L CB -0.132 41.935 42.059 0.013 0.000 1.328 89 L HN 0.549 nan 8.230 nan 0.000 0.540 90 G N -0.011 108.800 108.800 0.018 0.000 2.500 90 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.209 90 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.209 90 G C -0.765 174.151 174.900 0.026 0.000 1.283 90 G CA -0.947 44.166 45.100 0.021 0.000 0.960 90 G HN 0.032 nan 8.290 nan 0.000 0.528 91 E N 0.850 121.067 120.200 0.030 0.000 2.373 91 E HA 0.393 4.743 4.350 -0.000 0.000 0.267 91 E C 0.402 177.027 176.600 0.042 0.000 1.032 91 E CA 0.428 56.851 56.400 0.038 0.000 0.889 91 E CB 1.138 30.863 29.700 0.041 0.000 0.984 91 E HN 0.535 nan 8.360 nan 0.000 0.425 92 Q N 1.088 120.919 119.800 0.051 0.000 2.456 92 Q HA 0.482 4.822 4.340 -0.000 0.000 0.283 92 Q C -0.780 175.268 176.000 0.081 0.000 1.084 92 Q CA -0.801 55.036 55.803 0.057 0.000 0.801 92 Q CB 2.054 30.820 28.738 0.047 0.000 1.434 92 Q HN 0.356 nan 8.270 nan 0.000 0.419 93 L N 0.644 121.927 121.223 0.099 0.000 2.307 93 L HA 0.508 4.848 4.340 -0.000 0.000 0.282 93 L C -0.840 176.108 176.870 0.131 0.000 1.051 93 L CA -0.694 54.237 54.840 0.152 0.000 0.804 93 L CB 1.318 43.508 42.059 0.217 0.000 1.197 93 L HN 0.559 nan 8.230 nan 0.000 0.431 94 C N 2.629 121.992 119.300 0.104 0.000 2.319 94 C HA 0.274 4.734 4.460 -0.000 0.000 0.323 94 C C 0.169 175.103 174.990 -0.093 0.000 1.277 94 C CA -0.732 58.297 59.018 0.019 0.000 1.517 94 C CB 1.031 28.774 27.740 0.006 0.000 2.206 94 C HN 0.652 nan 8.230 nan 0.000 0.486 95 E N 4.394 124.486 120.200 -0.181 0.000 2.167 95 E HA 0.450 4.800 4.350 -0.000 0.000 0.284 95 E C -0.676 175.733 176.600 -0.319 0.000 1.016 95 E CA -0.164 55.954 56.400 -0.470 0.000 0.817 95 E CB 0.669 30.127 29.700 -0.404 0.000 1.080 95 E HN 0.835 nan 8.360 nan 0.000 0.397 96 R N 3.113 123.399 120.500 -0.357 0.000 2.514 96 R HA 0.537 4.877 4.340 -0.000 0.000 0.296 96 R C -2.738 173.422 176.300 -0.234 0.000 1.012 96 R CA -1.989 53.967 56.100 -0.240 0.000 0.897 96 R CB 1.262 31.445 30.300 -0.196 0.000 1.184 96 R HN 0.227 nan 8.270 nan 0.000 0.440 97 P HA 0.213 nan 4.420 nan 0.000 0.274 97 P C -0.722 176.510 177.300 -0.113 0.000 1.231 97 P CA -0.454 62.579 63.100 -0.113 0.000 0.790 97 P CB 0.751 32.412 31.700 -0.065 0.000 0.951 98 L N 0.680 121.842 121.223 -0.102 0.000 2.271 98 L HA 0.459 4.799 4.340 -0.000 0.000 0.265 98 L C 0.203 177.027 176.870 -0.078 0.000 1.013 98 L CA -1.188 53.590 54.840 -0.104 0.000 0.820 98 L CB 0.678 42.660 42.059 -0.129 0.000 1.352 98 L HN 0.193 nan 8.230 nan 0.000 0.443 99 D N 0.757 121.117 120.400 -0.067 0.000 2.472 99 D HA 0.028 4.668 4.640 -0.000 0.000 0.237 99 D C -0.608 175.634 176.300 -0.097 0.000 1.141 99 D CA 0.149 54.116 54.000 -0.055 0.000 0.875 99 D CB 0.400 41.177 40.800 -0.038 0.000 1.192 99 D HN 0.289 nan 8.370 nan 0.000 0.450 100 D N 1.153 121.497 120.400 -0.094 0.000 2.423 100 D HA 0.099 4.739 4.640 -0.000 0.000 0.238 100 D C 0.327 176.523 176.300 -0.175 0.000 1.142 100 D CA 0.437 54.312 54.000 -0.208 0.000 0.884 100 D CB 0.661 41.403 40.800 -0.098 0.000 1.199 100 D HN 0.336 nan 8.370 nan 0.000 0.438 101 E N -0.072 119.964 120.200 -0.274 0.000 2.293 101 E HA 0.472 4.822 4.350 -0.000 0.000 0.270 101 E C -1.284 175.237 176.600 -0.133 0.000 0.879 101 E CA -0.649 55.658 56.400 -0.156 0.000 0.756 101 E CB 1.769 31.383 29.700 -0.144 0.000 1.208 101 E HN 0.250 nan 8.360 nan 0.000 0.428 102 T N 1.443 115.982 114.554 -0.024 0.000 2.916 102 T HA 0.890 5.239 4.350 -0.000 0.000 0.292 102 T C -0.729 173.992 174.700 0.034 0.000 1.064 102 T CA 0.086 62.205 62.100 0.031 0.000 1.011 102 T CB 1.573 70.497 68.868 0.092 0.000 1.152 102 T HN 0.681 nan 8.240 nan 0.000 0.510 103 G N 1.868 110.701 108.800 0.055 0.000 2.430 103 G HA2 0.560 4.519 3.960 -0.000 0.000 0.300 103 G HA3 0.560 4.519 3.960 -0.000 0.000 0.300 103 G C -3.380 171.581 174.900 0.102 0.000 1.330 103 G CA -0.847 44.295 45.100 0.070 0.000 0.813 103 G HN 0.602 nan 8.290 nan 0.000 0.487 104 P HA 0.470 nan 4.420 nan 0.000 0.271 104 P C -1.196 176.235 177.300 0.217 0.000 1.216 104 P CA -0.062 63.112 63.100 0.123 0.000 0.776 104 P CB 0.601 32.347 31.700 0.078 0.000 0.881 105 F N 2.090 122.030 119.950 -0.018 0.000 2.959 105 F HA 0.499 5.026 4.527 -0.000 0.000 0.379 105 F C 0.936 176.706 175.800 -0.050 0.000 1.215 105 F CA -0.634 57.335 58.000 -0.051 0.000 1.190 105 F CB 0.360 39.319 39.000 -0.069 0.000 1.574 105 F HN 0.357 nan 8.300 nan 0.000 0.575 106 A N 2.749 125.442 122.820 -0.213 0.000 1.877 106 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 106 A C 0.659 178.084 177.584 -0.266 0.000 1.186 106 A CA 1.337 53.268 52.037 -0.177 0.000 0.620 106 A CB -0.130 18.791 19.000 -0.132 0.000 0.822 106 A HN 0.609 nan 8.150 nan 0.000 0.443 107 E N -1.593 118.302 120.200 -0.508 0.000 2.416 107 E HA 0.574 4.923 4.350 -0.000 0.000 0.273 107 E C -1.168 174.993 176.600 -0.732 0.000 0.935 107 E CA -0.914 55.232 56.400 -0.422 0.000 0.784 107 E CB 1.434 30.991 29.700 -0.237 0.000 1.301 107 E HN 0.276 nan 8.360 nan 0.000 0.454 108 L N 0.746 121.822 121.223 -0.245 0.000 2.474 108 L HA 0.123 4.462 4.340 -0.000 0.000 0.259 108 L C 1.004 177.869 176.870 -0.009 0.000 1.232 108 L CA -0.125 54.711 54.840 -0.008 0.000 0.821 108 L CB 0.033 42.304 42.059 0.353 0.000 1.108 108 L HN 0.608 nan 8.230 nan 0.000 0.495 109 F N 0.321 120.530 119.950 0.431 0.000 2.234 109 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 109 F C 0.999 176.956 175.800 0.262 0.000 1.087 109 F CA 0.851 59.061 58.000 0.351 0.000 1.340 109 F CB -0.083 39.193 39.000 0.460 0.000 1.031 109 F HN 0.139 nan 8.300 nan 0.000 0.500 110 L N 0.752 122.239 121.223 0.441 0.000 2.490 110 L HA 0.353 4.693 4.340 -0.000 0.000 0.256 110 L C -2.554 174.447 176.870 0.218 0.000 1.089 110 L CA -1.960 52.996 54.840 0.194 0.000 0.916 110 L CB 1.308 43.378 42.059 0.019 0.000 1.188 110 L HN -0.272 nan 8.230 nan 0.000 0.476 111 P HA 0.090 nan 4.420 nan 0.000 0.269 111 P C 0.474 177.622 177.300 -0.252 0.000 1.215 111 P CA -0.247 62.862 63.100 0.016 0.000 0.780 111 P CB 0.863 32.529 31.700 -0.057 0.000 0.898 112 R N 2.510 122.612 120.500 -0.663 0.000 2.105 112 R HA -0.159 4.180 4.340 -0.000 0.000 0.239 112 R C 0.986 177.017 176.300 -0.449 0.000 1.135 112 R CA 1.995 57.571 56.100 -0.872 0.000 0.967 112 R CB -0.363 29.285 30.300 -1.086 0.000 0.861 112 R HN 0.532 nan 8.270 nan 0.000 0.442 113 D N 0.034 120.230 120.400 -0.341 0.000 2.358 113 D HA -0.055 4.585 4.640 -0.000 0.000 0.224 113 D C 1.509 177.637 176.300 -0.286 0.000 1.123 113 D CA 0.427 54.261 54.000 -0.278 0.000 0.833 113 D CB -0.019 40.654 40.800 -0.212 0.000 0.946 113 D HN 0.234 nan 8.370 nan 0.000 0.505 114 V N -1.551 118.171 119.914 -0.320 0.000 2.380 114 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 114 V C 2.157 177.912 176.094 -0.566 0.000 1.063 114 V CA 0.960 63.011 62.300 -0.414 0.000 1.055 114 V CB -0.888 30.664 31.823 -0.452 0.000 0.657 114 V HN 0.108 nan 8.190 nan 0.000 0.455 115 L N -0.100 120.822 121.223 -0.502 0.000 2.156 115 L HA 0.051 4.390 4.340 -0.000 0.000 0.208 115 L C 2.804 179.482 176.870 -0.320 0.000 1.095 115 L CA 1.661 56.230 54.840 -0.451 0.000 0.770 115 L CB -0.956 40.806 42.059 -0.496 0.000 0.914 115 L HN 0.298 nan 8.230 nan 0.000 0.439 116 R N -1.340 118.981 120.500 -0.298 0.000 2.080 116 R HA 0.041 4.381 4.340 -0.000 0.000 0.222 116 R C 2.324 178.531 176.300 -0.156 0.000 1.107 116 R CA 0.469 56.442 56.100 -0.212 0.000 0.980 116 R CB -0.135 30.042 30.300 -0.206 0.000 0.879 116 R HN 0.277 nan 8.270 nan 0.000 0.439 117 R N 0.813 121.208 120.500 -0.174 0.000 2.070 117 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 117 R C 2.017 178.257 176.300 -0.101 0.000 1.138 117 R CA 1.249 57.271 56.100 -0.129 0.000 0.936 117 R CB -0.319 29.898 30.300 -0.138 0.000 0.839 117 R HN 0.176 nan 8.270 nan 0.000 0.429 118 L N 0.198 121.337 121.223 -0.139 0.000 2.599 118 L HA 0.184 4.523 4.340 -0.000 0.000 0.230 118 L C 0.701 177.585 176.870 0.023 0.000 1.141 118 L CA 0.196 55.005 54.840 -0.052 0.000 0.877 118 L CB -0.082 41.944 42.059 -0.056 0.000 1.009 118 L HN 0.489 nan 8.230 nan 0.000 0.447 119 G N 1.266 110.059 108.800 -0.011 0.000 2.298 119 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.287 119 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.287 119 G C 0.395 175.368 174.900 0.121 0.000 1.075 119 G CA 0.096 45.220 45.100 0.040 0.000 0.960 119 G HN 0.522 nan 8.290 nan 0.000 0.502 120 A N 0.380 123.293 122.820 0.155 0.000 2.511 120 A HA 0.568 4.887 4.320 -0.000 0.000 0.242 120 A C 1.037 178.877 177.584 0.427 0.000 1.069 120 A CA 0.776 53.012 52.037 0.331 0.000 0.763 120 A CB 0.160 19.405 19.000 0.408 0.000 1.001 120 A HN 1.415 nan 8.150 nan 0.000 0.498 121 R N 3.454 124.135 120.500 0.302 0.000 2.445 121 R HA 0.339 4.679 4.340 -0.000 0.000 0.308 121 R C -0.340 175.938 176.300 -0.038 0.000 0.961 121 R CA -0.670 55.543 56.100 0.188 0.000 0.862 121 R CB 0.799 31.149 30.300 0.085 0.000 1.144 121 R HN 0.835 nan 8.270 nan 0.000 0.447 122 H N 4.452 123.240 119.070 -0.471 0.000 3.145 122 H HA -0.004 4.552 4.556 -0.000 0.000 0.288 122 H C 0.563 175.631 175.328 -0.434 0.000 0.969 122 H CA 0.469 55.989 56.048 -0.881 0.000 1.444 122 H CB 0.732 29.922 29.762 -0.955 0.000 1.500 122 H HN 0.723 nan 8.280 nan 0.000 0.552 123 I N 2.351 122.521 120.570 -0.668 0.000 3.904 123 I HA 0.387 4.557 4.170 -0.000 0.000 0.333 123 I C 0.917 176.793 176.117 -0.402 0.000 1.361 123 I CA 0.419 61.481 61.300 -0.396 0.000 1.116 123 I CB 0.399 38.232 38.000 -0.279 0.000 1.028 123 I HN 0.752 nan 8.210 nan 0.000 0.398 124 G N 0.766 109.155 108.800 -0.686 0.000 2.434 124 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.671 124 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.671 124 G C -0.862 173.809 174.900 -0.383 0.000 1.280 124 G CA -1.022 43.852 45.100 -0.377 0.000 0.975 124 G HN 0.370 nan 8.290 nan 0.000 0.510 125 R N -0.174 120.275 120.500 -0.085 0.000 2.832 125 R HA 0.888 5.228 4.340 -0.000 0.000 0.271 125 R C 0.268 176.580 176.300 0.020 0.000 0.996 125 R CA -0.696 55.405 56.100 0.002 0.000 0.977 125 R CB 2.124 32.465 30.300 0.068 0.000 1.168 125 R HN 1.038 nan 8.270 nan 0.000 0.482 126 R N -1.647 118.878 120.500 0.042 0.000 2.774 126 R HA 0.229 4.569 4.340 -0.000 0.000 0.279 126 R C -1.659 174.632 176.300 -0.014 0.000 1.022 126 R CA -0.896 55.207 56.100 0.004 0.000 0.855 126 R CB 0.301 30.589 30.300 -0.019 0.000 1.279 126 R HN 0.216 nan 8.270 nan 0.000 0.485 127 V N 1.818 121.711 119.914 -0.035 0.000 2.439 127 V HA 0.378 4.498 4.120 -0.000 0.000 0.271 127 V C -0.435 175.609 176.094 -0.082 0.000 1.040 127 V CA -0.282 61.995 62.300 -0.038 0.000 1.002 127 V CB 1.033 32.839 31.823 -0.028 0.000 1.000 127 V HN 0.486 nan 8.190 nan 0.000 0.477 128 V N 6.432 126.300 119.914 -0.076 0.000 2.483 128 V HA 0.422 4.542 4.120 -0.000 0.000 0.297 128 V C 0.349 176.418 176.094 -0.042 0.000 1.027 128 V CA -0.705 61.531 62.300 -0.106 0.000 0.855 128 V CB 1.413 33.134 31.823 -0.170 0.000 0.995 128 V HN 0.836 nan 8.190 nan 0.000 0.424 129 L N 4.755 125.954 121.223 -0.039 0.000 3.865 129 L HA -0.239 4.101 4.340 -0.000 0.000 0.408 129 L C 1.338 178.206 176.870 -0.004 0.000 1.209 129 L CA 0.760 55.591 54.840 -0.014 0.000 0.940 129 L CB -1.510 40.553 42.059 0.006 0.000 1.971 129 L HN 1.195 nan 8.230 nan 0.000 0.899 130 G N -1.428 107.365 108.800 -0.012 0.000 2.157 130 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 130 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 130 G C 0.203 175.105 174.900 0.003 0.000 0.979 130 G CA 0.312 45.410 45.100 -0.004 0.000 0.650 130 G HN 0.265 nan 8.290 nan 0.000 0.529 131 R N 0.065 120.568 120.500 0.005 0.000 2.686 131 R HA 0.503 4.843 4.340 -0.000 0.000 0.286 131 R C -0.487 175.826 176.300 0.022 0.000 0.969 131 R CA -1.081 55.030 56.100 0.018 0.000 0.898 131 R CB 1.554 31.871 30.300 0.029 0.000 1.183 131 R HN 0.237 nan 8.270 nan 0.000 0.456 132 E N 1.507 121.726 120.200 0.030 0.000 2.366 132 E HA 0.306 4.655 4.350 -0.000 0.000 0.266 132 E C -1.116 175.526 176.600 0.069 0.000 1.015 132 E CA 0.180 56.605 56.400 0.042 0.000 0.906 132 E CB 0.700 30.424 29.700 0.040 0.000 0.979 132 E HN 0.608 nan 8.360 nan 0.000 0.443 133 A N 4.612 127.485 122.820 0.089 0.000 2.371 133 A HA 0.465 4.785 4.320 -0.000 0.000 0.311 133 A C -1.146 176.544 177.584 0.176 0.000 1.068 133 A CA -0.960 51.168 52.037 0.151 0.000 0.744 133 A CB 1.090 20.200 19.000 0.184 0.000 1.239 133 A HN 0.595 nan 8.150 nan 0.000 0.435 134 D N 1.502 122.022 120.400 0.199 0.000 2.277 134 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 134 D C 0.453 176.709 176.300 -0.074 0.000 1.134 134 D CA 0.684 54.750 54.000 0.110 0.000 0.863 134 D CB 1.564 42.568 40.800 0.340 0.000 1.143 134 D HN 0.659 nan 8.370 nan 0.000 0.458 135 G N 1.910 110.433 108.800 -0.462 0.000 2.319 135 G HA2 0.374 4.334 3.960 -0.000 0.000 0.308 135 G HA3 0.374 4.334 3.960 -0.000 0.000 0.308 135 G C -1.028 173.422 174.900 -0.751 0.000 1.117 135 G CA -0.700 43.924 45.100 -0.794 0.000 0.903 135 G HN 0.368 nan 8.290 nan 0.000 0.436 136 W N 1.763 122.845 121.300 -0.364 0.000 2.417 136 W HA 0.541 5.200 4.660 -0.000 0.000 0.315 136 W C 0.478 176.934 176.519 -0.104 0.000 1.045 136 W CA -0.944 56.317 57.345 -0.139 0.000 1.221 136 W CB 1.760 31.208 29.460 -0.020 0.000 1.309 136 W HN 0.394 nan 8.180 nan 0.000 0.453 137 R N 4.209 124.773 120.500 0.107 0.000 2.343 137 R HA 0.483 4.823 4.340 -0.000 0.000 0.320 137 R C -1.245 175.136 176.300 0.134 0.000 0.956 137 R CA -0.558 55.542 56.100 -0.000 0.000 0.836 137 R CB 0.734 30.981 30.300 -0.089 0.000 1.151 137 R HN 0.555 nan 8.270 nan 0.000 0.450 138 Y N 0.607 120.922 120.300 0.023 0.000 2.576 138 Y HA 0.507 5.057 4.550 -0.000 0.000 0.346 138 Y C -0.988 174.920 175.900 0.013 0.000 1.018 138 Y CA -1.442 56.673 58.100 0.025 0.000 1.050 138 Y CB 1.216 39.690 38.460 0.024 0.000 1.280 138 Y HN 0.401 nan 8.280 nan 0.000 0.474 139 Q N 1.471 121.373 119.800 0.170 0.000 2.230 139 Q HA 0.515 4.855 4.340 -0.000 0.000 0.253 139 Q C -1.221 174.868 176.000 0.149 0.000 0.919 139 Q CA -0.658 55.194 55.803 0.082 0.000 0.908 139 Q CB 1.186 29.962 28.738 0.062 0.000 1.245 139 Q HN 0.776 nan 8.270 nan 0.000 0.437 140 R N 4.418 124.969 120.500 0.086 0.000 2.396 140 R HA 0.396 4.736 4.340 -0.000 0.000 0.292 140 R C -2.085 174.250 176.300 0.059 0.000 1.240 140 R CA -1.557 54.602 56.100 0.099 0.000 1.270 140 R CB 0.512 30.875 30.300 0.105 0.000 1.108 140 R HN 0.556 nan 8.270 nan 0.000 0.573 145 P HA 0.558 nan 4.420 nan 0.000 0.276 145 P C -0.683 176.501 177.300 -0.193 0.000 1.252 145 P CA -0.132 62.900 63.100 -0.113 0.000 0.802 145 P CB 1.795 33.442 31.700 -0.089 0.000 1.035 146 S N -0.887 114.581 115.700 -0.387 0.000 2.588 146 S HA 0.641 5.111 4.470 -0.000 0.000 0.275 146 S C -0.828 173.442 174.600 -0.551 0.000 1.130 146 S CA -0.471 57.431 58.200 -0.495 0.000 0.855 146 S CB 1.799 64.552 63.200 -0.744 0.000 1.116 146 S HN 0.684 nan 8.310 nan 0.000 0.472 147 T N 1.244 115.595 114.554 -0.339 0.000 2.916 147 T HA 0.670 5.020 4.350 -0.000 0.000 0.298 147 T C -1.929 172.689 174.700 -0.137 0.000 1.031 147 T CA -0.553 61.386 62.100 -0.269 0.000 0.993 147 T CB 1.049 69.748 68.868 -0.283 0.000 1.045 147 T HN 0.405 nan 8.240 nan 0.000 0.454 148 L N 5.587 126.781 121.223 -0.048 0.000 2.343 148 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 148 L C -1.775 175.101 176.870 0.010 0.000 0.996 148 L CA -0.673 54.219 54.840 0.086 0.000 0.831 148 L CB 0.899 43.093 42.059 0.224 0.000 1.232 148 L HN 0.726 nan 8.230 nan 0.000 0.413 149 Y N 5.662 126.031 120.300 0.116 0.000 2.350 149 Y HA 0.535 5.085 4.550 -0.000 0.000 0.340 149 Y C -0.171 175.791 175.900 0.104 0.000 1.006 149 Y CA -0.185 57.976 58.100 0.101 0.000 1.166 149 Y CB 1.026 39.509 38.460 0.039 0.000 1.168 149 Y HN 0.439 nan 8.280 nan 0.000 0.502 150 L N 3.216 124.596 121.223 0.262 0.000 2.325 150 L HA 0.308 4.648 4.340 -0.000 0.000 0.278 150 L C 0.098 177.059 176.870 0.151 0.000 1.023 150 L CA -1.072 53.862 54.840 0.157 0.000 0.811 150 L CB 1.224 43.364 42.059 0.135 0.000 1.249 150 L HN 0.567 nan 8.230 nan 0.000 0.431 151 D N 1.933 122.382 120.400 0.082 0.000 2.426 151 D HA -0.013 4.627 4.640 -0.000 0.000 0.261 151 D C 0.779 177.130 176.300 0.085 0.000 1.245 151 D CA 0.200 54.243 54.000 0.071 0.000 0.917 151 D CB 1.570 42.392 40.800 0.036 0.000 1.123 151 D HN 0.703 nan 8.370 nan 0.000 0.508 152 A N 3.824 126.705 122.820 0.101 0.000 2.121 152 A HA 0.042 4.361 4.320 -0.000 0.000 0.218 152 A C 1.893 179.522 177.584 0.075 0.000 1.154 152 A CA 1.447 53.551 52.037 0.112 0.000 0.679 152 A CB 0.050 19.119 19.000 0.115 0.000 0.795 152 A HN 0.638 nan 8.150 nan 0.000 0.458 153 A N -0.277 122.576 122.820 0.055 0.000 1.901 153 A HA 0.125 4.445 4.320 -0.000 0.000 0.210 153 A C 2.318 179.921 177.584 0.032 0.000 1.208 153 A CA 1.584 53.645 52.037 0.040 0.000 0.644 153 A CB -0.531 18.489 19.000 0.034 0.000 0.863 153 A HN 0.896 nan 8.150 nan 0.000 0.454 154 S N -2.178 113.538 115.700 0.028 0.000 2.517 154 S HA 0.391 4.861 4.470 -0.000 0.000 0.214 154 S C 1.447 176.047 174.600 0.000 0.000 0.991 154 S CA 1.176 59.387 58.200 0.017 0.000 0.906 154 S CB 0.103 63.314 63.200 0.020 0.000 0.789 154 S HN 1.921 nan 8.310 nan 0.000 0.513 155 G N 1.725 110.524 108.800 -0.002 0.000 2.162 155 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 155 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 155 G C 0.245 175.085 174.900 -0.099 0.000 0.976 155 G CA 0.584 45.663 45.100 -0.034 0.000 0.655 155 G HN 1.271 nan 8.290 nan 0.000 0.533 156 T N -0.760 113.733 114.554 -0.101 0.000 2.913 156 T HA 0.641 4.991 4.350 -0.000 0.000 0.287 156 T C -2.371 172.178 174.700 -0.251 0.000 1.008 156 T CA -1.657 60.314 62.100 -0.215 0.000 1.067 156 T CB 2.391 71.178 68.868 -0.135 0.000 0.996 156 T HN 0.056 nan 8.240 nan 0.000 0.513 157 P HA 0.293 nan 4.420 nan 0.000 0.271 157 P C 0.058 177.347 177.300 -0.020 0.000 1.216 157 P CA -0.384 62.493 63.100 -0.371 0.000 0.776 157 P CB 0.708 31.847 31.700 -0.935 0.000 0.881 158 L N 1.562 122.892 121.223 0.178 0.000 2.600 158 L HA 0.325 4.665 4.340 -0.000 0.000 0.213 158 L C 1.091 178.093 176.870 0.220 0.000 1.045 158 L CA 0.283 55.255 54.840 0.219 0.000 0.863 158 L CB 0.354 42.489 42.059 0.127 0.000 1.189 158 L HN 0.316 nan 8.230 nan 0.000 0.484 159 R N 0.868 121.508 120.500 0.233 0.000 2.508 159 R HA 0.381 4.721 4.340 -0.000 0.000 0.283 159 R C -1.481 174.938 176.300 0.197 0.000 1.120 159 R CA -0.353 55.799 56.100 0.088 0.000 0.958 159 R CB 1.683 31.989 30.300 0.009 0.000 1.215 159 R HN -0.053 nan 8.270 nan 0.000 0.427 160 M N 6.001 125.645 119.600 0.073 0.000 2.066 160 M HA 0.343 4.823 4.480 -0.000 0.000 0.340 160 M C -1.544 174.727 176.300 -0.047 0.000 1.053 160 M CA -0.714 54.651 55.300 0.109 0.000 0.983 160 M CB 1.413 34.155 32.600 0.238 0.000 1.520 160 M HN 0.367 nan 8.290 nan 0.000 0.428 161 V N 4.771 124.671 119.914 -0.024 0.000 2.350 161 V HA 0.379 4.499 4.120 -0.000 0.000 0.276 161 V C -0.120 175.907 176.094 -0.111 0.000 1.028 161 V CA -0.423 61.821 62.300 -0.094 0.000 0.860 161 V CB 1.437 33.244 31.823 -0.027 0.000 0.990 161 V HN 0.842 nan 8.190 nan 0.000 0.453 162 T N 4.200 118.674 114.554 -0.132 0.000 2.801 162 T HA 0.719 5.069 4.350 -0.000 0.000 0.306 162 T C 0.386 175.052 174.700 -0.057 0.000 1.020 162 T CA 0.269 62.316 62.100 -0.090 0.000 0.948 162 T CB 0.900 69.732 68.868 -0.060 0.000 0.962 162 T HN 1.404 nan 8.240 nan 0.000 0.465 163 G N 2.708 111.478 108.800 -0.050 0.000 2.541 163 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.686 163 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.686 163 G C -1.370 173.512 174.900 -0.030 0.000 1.286 163 G CA -1.072 44.020 45.100 -0.012 0.000 0.894 163 G HN 0.644 nan 8.290 nan 0.000 0.575 164 D N 0.603 120.998 120.400 -0.008 0.000 2.336 164 D HA 0.387 5.027 4.640 -0.000 0.000 0.249 164 D C 0.869 177.172 176.300 0.005 0.000 1.213 164 D CA 0.074 54.067 54.000 -0.011 0.000 0.870 164 D CB 1.101 41.898 40.800 -0.005 0.000 1.076 164 D HN 0.618 nan 8.370 nan 0.000 0.483 169 A N 2.583 125.517 122.820 0.189 0.000 2.422 169 A HA 0.649 4.969 4.320 -0.000 0.000 0.302 169 A C -0.995 176.588 177.584 -0.003 0.000 1.041 169 A CA -0.386 51.706 52.037 0.092 0.000 0.708 169 A CB 1.999 20.995 19.000 -0.007 0.000 1.257 169 A HN 0.662 nan 8.150 nan 0.000 0.414 170 S N 1.469 116.985 115.700 -0.307 0.000 2.499 170 S HA 0.536 5.006 4.470 -0.000 0.000 0.275 170 S C -0.711 173.498 174.600 -0.652 0.000 1.257 170 S CA -0.187 57.453 58.200 -0.934 0.000 1.050 170 S CB -0.490 62.151 63.200 -0.932 0.000 0.937 170 S HN 0.506 nan 8.310 nan 0.000 0.490 171 L N 6.061 126.776 121.223 -0.847 0.000 2.313 171 L HA 0.579 4.919 4.340 -0.000 0.000 0.283 171 L C 0.198 176.607 176.870 -0.768 0.000 1.013 171 L CA -0.024 54.333 54.840 -0.804 0.000 0.816 171 L CB 1.706 43.098 42.059 -1.112 0.000 1.236 171 L HN 0.652 nan 8.230 nan 0.000 0.419 172 R N 2.123 122.305 120.500 -0.530 0.000 2.409 172 R HA 0.512 4.852 4.340 -0.000 0.000 0.313 172 R C -1.402 174.453 176.300 -0.742 0.000 0.953 172 R CA -0.927 54.862 56.100 -0.518 0.000 0.849 172 R CB 1.841 31.873 30.300 -0.446 0.000 1.171 172 R HN 0.429 nan 8.270 nan 0.000 0.458 173 D N 2.226 122.305 120.400 -0.535 0.000 2.163 173 D HA 0.281 4.921 4.640 -0.000 0.000 0.248 173 D C -0.660 175.322 176.300 -0.531 0.000 1.035 173 D CA -0.077 53.657 54.000 -0.444 0.000 0.872 173 D CB 1.071 41.825 40.800 -0.077 0.000 1.183 173 D HN 0.287 nan 8.370 nan 0.000 0.445 174 F N 2.042 122.044 119.950 0.088 0.000 2.564 174 F HA 0.265 4.792 4.527 -0.000 0.000 0.361 174 F C -1.453 174.380 175.800 0.055 0.000 1.161 174 F CA -1.870 56.187 58.000 0.095 0.000 1.198 174 F CB 1.562 40.622 39.000 0.101 0.000 1.424 174 F HN 0.138 nan 8.300 nan 0.000 0.517 175 P HA -0.064 nan 4.420 nan 0.000 0.229 175 P C -0.121 177.243 177.300 0.106 0.000 1.160 175 P CA 1.041 64.202 63.100 0.102 0.000 0.777 175 P CB 0.292 32.029 31.700 0.062 0.000 0.814 176 N N -1.261 117.518 118.700 0.131 0.000 2.664 176 N HA 0.104 4.844 4.740 -0.000 0.000 0.287 176 N C -0.889 174.700 175.510 0.132 0.000 1.869 176 N CA -0.685 52.436 53.050 0.118 0.000 0.832 176 N CB -0.489 38.068 38.487 0.116 0.000 1.293 176 N HN -0.289 nan 8.380 nan 0.000 0.498 177 V N 0.575 120.572 119.914 0.138 0.000 2.599 177 V HA 0.200 4.320 4.120 -0.000 0.000 0.300 177 V C 0.676 176.859 176.094 0.150 0.000 1.034 177 V CA 0.136 62.532 62.300 0.159 0.000 1.115 177 V CB 0.740 32.630 31.823 0.112 0.000 0.934 177 V HN 0.642 nan 8.190 nan 0.000 0.485 178 S N 3.282 119.090 115.700 0.181 0.000 2.482 178 S HA 0.419 4.889 4.470 -0.000 0.000 0.303 178 S C 0.266 174.987 174.600 0.202 0.000 1.091 178 S CA -0.737 57.565 58.200 0.170 0.000 1.057 178 S CB 1.619 64.923 63.200 0.173 0.000 1.031 178 S HN 0.800 nan 8.310 nan 0.000 0.485 179 E N 2.263 122.566 120.200 0.173 0.000 2.451 179 E HA 0.285 4.635 4.350 -0.000 0.000 0.194 179 E C 0.529 177.227 176.600 0.163 0.000 1.027 179 E CA -0.330 56.182 56.400 0.185 0.000 0.914 179 E CB 0.672 30.461 29.700 0.148 0.000 1.054 179 E HN 0.714 nan 8.360 nan 0.000 0.461 180 A N 1.518 124.431 122.820 0.156 0.000 2.406 180 A HA 0.021 4.340 4.320 -0.000 0.000 0.243 180 A C 0.499 178.172 177.584 0.149 0.000 1.082 180 A CA -0.175 51.944 52.037 0.137 0.000 0.786 180 A CB 0.333 19.410 19.000 0.128 0.000 1.029 180 A HN 0.132 nan 8.150 nan 0.000 0.495 181 E N -0.139 120.135 120.200 0.123 0.000 2.442 181 E HA 0.095 4.445 4.350 -0.000 0.000 0.262 181 E C -0.784 175.897 176.600 0.135 0.000 1.004 181 E CA 0.651 57.123 56.400 0.121 0.000 0.928 181 E CB 0.291 30.045 29.700 0.089 0.000 0.937 181 E HN 0.453 nan 8.360 nan 0.000 0.446 182 I N 5.538 126.200 120.570 0.153 0.000 2.339 182 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 182 I C -2.104 174.057 176.117 0.073 0.000 0.994 182 I CA -2.240 59.146 61.300 0.143 0.000 1.191 182 I CB 1.245 39.387 38.000 0.237 0.000 1.343 182 I HN 0.214 nan 8.210 nan 0.000 0.458 183 P HA 0.033 nan 4.420 nan 0.000 0.268 183 P C 0.488 177.748 177.300 -0.066 0.000 1.205 183 P CA -0.147 62.933 63.100 -0.033 0.000 0.771 183 P CB 0.750 32.413 31.700 -0.060 0.000 0.858 184 D N 2.252 122.646 120.400 -0.011 0.000 2.154 184 D HA -0.287 4.353 4.640 -0.000 0.000 0.190 184 D C 1.755 178.009 176.300 -0.075 0.000 1.003 184 D CA 2.219 56.225 54.000 0.010 0.000 0.849 184 D CB -0.083 40.712 40.800 -0.008 0.000 0.942 184 D HN 0.437 nan 8.370 nan 0.000 0.446 185 A N 0.610 123.351 122.820 -0.132 0.000 2.032 185 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 185 A C 2.518 179.910 177.584 -0.319 0.000 1.165 185 A CA 1.188 53.115 52.037 -0.184 0.000 0.645 185 A CB -0.651 18.259 19.000 -0.150 0.000 0.807 185 A HN 0.201 nan 8.150 nan 0.000 0.453 186 V N -1.815 117.793 119.914 -0.510 0.000 2.469 186 V HA -0.220 3.899 4.120 -0.000 0.000 0.251 186 V C 1.634 177.174 176.094 -0.924 0.000 1.064 186 V CA 1.843 63.581 62.300 -0.937 0.000 1.066 186 V CB -0.841 30.096 31.823 -1.477 0.000 0.667 186 V HN 0.615 nan 8.190 nan 0.000 0.461 187 F N -0.566 119.196 119.950 -0.313 0.000 2.654 187 F HA 0.521 5.048 4.527 -0.000 0.000 0.303 187 F C 1.883 177.532 175.800 -0.252 0.000 1.099 187 F CA 0.149 57.991 58.000 -0.264 0.000 1.270 187 F CB -0.649 38.223 39.000 -0.213 0.000 1.024 187 F HN 0.002 nan 8.300 nan 0.000 0.548 188 A N 0.588 123.322 122.820 -0.145 0.000 2.076 188 A HA 0.149 4.469 4.320 -0.000 0.000 0.220 188 A C 1.864 179.274 177.584 -0.290 0.000 1.160 188 A CA 1.117 53.049 52.037 -0.176 0.000 0.653 188 A CB -0.839 18.056 19.000 -0.173 0.000 0.801 188 A HN 0.265 nan 8.150 nan 0.000 0.455 189 A N 0.000 122.565 122.820 -0.425 0.000 2.254 189 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 189 A CA 0.000 51.514 52.037 -0.871 0.000 0.836 189 A CB 0.000 18.181 19.000 -1.365 0.000 0.831 189 A HN 0.000 nan 8.150 nan 0.000 0.486