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 3hrx_1_F DATA FIRST_RESID 1 DATA SEQUENCE MVLKERQDGV LVLTLNRPEK LNAITGELLD ALYAALKEGE EDREVRALLL DATA SEQUENCE TGAGRAFSAG QDLTEXXXXK PDYEAHLRRY NRVVEALSGL EKPLVVAVNG DATA SEQUENCE VAAGAGMSLA LWGDLRLAAV GASFTTAFVR IGLVPDSGLS FLLPRLVGLA DATA SEQUENCE KAQELLLLSP RLSAEEALAL GLVHRVVPAE KLMEEALSLA KELAQGPTRA DATA SEQUENCE YALTKKLLLE TYRLSLTEAL ALEAVLQGQA GQTQDHEEGV RAFREKRPPR DATA SEQUENCE FQGR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.277 176.300 -0.038 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.028 0.000 1.302 2 V N 3.185 123.080 119.914 -0.032 0.000 2.525 2 V HA 0.520 4.640 4.120 -0.000 0.000 0.299 2 V C -0.372 175.707 176.094 -0.026 0.000 1.034 2 V CA -0.651 61.628 62.300 -0.035 0.000 0.863 2 V CB 2.278 34.081 31.823 -0.033 0.000 0.999 2 V HN 0.249 nan 8.190 nan 0.000 0.423 3 L N 4.831 126.039 121.223 -0.025 0.000 2.371 3 L HA 0.552 4.892 4.340 -0.000 0.000 0.272 3 L C 0.122 176.984 176.870 -0.012 0.000 1.124 3 L CA -0.242 54.588 54.840 -0.017 0.000 0.816 3 L CB 0.804 42.854 42.059 -0.015 0.000 1.129 3 L HN 0.564 nan 8.230 nan 0.000 0.448 4 K N 3.204 123.598 120.400 -0.009 0.000 2.427 4 K HA 0.559 4.879 4.320 -0.000 0.000 0.252 4 K C -1.260 175.339 176.600 -0.002 0.000 0.931 4 K CA -0.792 55.492 56.287 -0.006 0.000 0.793 4 K CB 2.664 35.158 32.500 -0.009 0.000 1.211 4 K HN 0.641 nan 8.250 nan 0.000 0.426 5 E N 2.339 122.541 120.200 0.003 0.000 2.347 5 E HA 0.343 4.693 4.350 -0.000 0.000 0.285 5 E C -1.219 175.386 176.600 0.009 0.000 0.925 5 E CA -1.024 55.380 56.400 0.005 0.000 0.779 5 E CB 1.751 31.455 29.700 0.007 0.000 1.233 5 E HN 0.363 nan 8.360 nan 0.000 0.414 6 R N 1.411 121.916 120.500 0.009 0.000 2.536 6 R HA 0.481 4.821 4.340 -0.000 0.000 0.279 6 R C -0.665 175.644 176.300 0.015 0.000 1.001 6 R CA -0.737 55.371 56.100 0.012 0.000 1.027 6 R CB 1.668 31.974 30.300 0.010 0.000 1.096 6 R HN 0.657 nan 8.270 nan 0.000 0.502 7 Q N 1.443 121.254 119.800 0.018 0.000 2.476 7 Q HA 0.036 4.376 4.340 -0.000 0.000 0.236 7 Q C -1.603 174.412 176.000 0.024 0.000 0.844 7 Q CA -0.240 55.575 55.803 0.020 0.000 0.972 7 Q CB 1.067 29.817 28.738 0.020 0.000 1.498 7 Q HN 0.689 nan 8.270 nan 0.000 0.454 8 D N 3.105 123.519 120.400 0.024 0.000 2.686 8 D HA -0.232 4.408 4.640 -0.000 0.000 0.235 8 D C 0.704 177.025 176.300 0.035 0.000 1.160 8 D CA 1.939 55.957 54.000 0.029 0.000 0.645 8 D CB -1.051 39.767 40.800 0.030 0.000 1.039 8 D HN 1.144 nan 8.370 nan 0.000 0.423 9 G N -2.138 106.682 108.800 0.033 0.000 2.179 9 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 9 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 9 G C 0.360 175.283 174.900 0.038 0.000 0.977 9 G CA 0.287 45.410 45.100 0.038 0.000 0.641 9 G HN 0.575 nan 8.290 nan 0.000 0.533 10 V N 1.304 121.238 119.914 0.033 0.000 2.435 10 V HA 0.687 4.807 4.120 -0.000 0.000 0.290 10 V C 0.178 176.287 176.094 0.025 0.000 1.030 10 V CA -0.764 61.555 62.300 0.032 0.000 0.881 10 V CB 1.706 33.549 31.823 0.033 0.000 0.983 10 V HN 0.445 nan 8.190 nan 0.000 0.445 11 L N 7.084 128.321 121.223 0.023 0.000 2.262 11 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 11 L C -0.327 176.556 176.870 0.022 0.000 1.035 11 L CA 0.192 55.042 54.840 0.017 0.000 0.820 11 L CB 1.314 43.378 42.059 0.010 0.000 1.204 11 L HN 0.440 nan 8.230 nan 0.000 0.424 12 V N 6.957 126.883 119.914 0.021 0.000 2.364 12 V HA 0.360 4.480 4.120 -0.000 0.000 0.272 12 V C 0.192 176.297 176.094 0.019 0.000 1.036 12 V CA -0.432 61.884 62.300 0.026 0.000 0.880 12 V CB 1.049 32.888 31.823 0.026 0.000 0.991 12 V HN 0.582 nan 8.190 nan 0.000 0.460 13 L N 4.872 126.110 121.223 0.024 0.000 2.313 13 L HA 0.599 4.939 4.340 -0.000 0.000 0.283 13 L C -0.009 176.863 176.870 0.004 0.000 1.013 13 L CA -0.180 54.666 54.840 0.010 0.000 0.816 13 L CB 1.882 43.948 42.059 0.011 0.000 1.236 13 L HN 0.551 nan 8.230 nan 0.000 0.419 14 T N 4.107 118.651 114.554 -0.017 0.000 2.815 14 T HA 0.437 4.787 4.350 -0.000 0.000 0.289 14 T C 0.052 174.709 174.700 -0.071 0.000 1.000 14 T CA -0.556 61.521 62.100 -0.038 0.000 0.958 14 T CB 1.051 69.906 68.868 -0.020 0.000 0.944 14 T HN 0.303 nan 8.240 nan 0.000 0.442 15 L N 3.626 124.769 121.223 -0.132 0.000 2.513 15 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 15 L C 0.726 177.532 176.870 -0.108 0.000 1.187 15 L CA -0.088 54.663 54.840 -0.149 0.000 0.895 15 L CB -0.007 41.894 42.059 -0.264 0.000 1.147 15 L HN 0.589 nan 8.230 nan 0.000 0.483 16 N N 3.571 122.226 118.700 -0.076 0.000 2.844 16 N HA 0.257 4.997 4.740 -0.000 0.000 0.268 16 N C -0.645 174.838 175.510 -0.045 0.000 1.574 16 N CA -0.385 52.632 53.050 -0.054 0.000 0.838 16 N CB 0.441 38.904 38.487 -0.039 0.000 1.177 16 N HN 0.457 nan 8.380 nan 0.000 0.495 17 R N 1.655 122.126 120.500 -0.048 0.000 2.647 17 R HA 0.206 4.546 4.340 -0.000 0.000 0.295 17 R C -1.852 174.428 176.300 -0.034 0.000 1.267 17 R CA -1.099 54.980 56.100 -0.036 0.000 1.386 17 R CB 1.091 31.370 30.300 -0.035 0.000 1.309 17 R HN 0.341 nan 8.270 nan 0.000 0.692 18 P HA -0.277 nan 4.420 nan 0.000 0.216 18 P C 1.047 178.336 177.300 -0.019 0.000 1.154 18 P CA 1.585 64.670 63.100 -0.026 0.000 0.865 18 P CB 0.315 32.003 31.700 -0.021 0.000 0.789 19 E N 1.402 121.593 120.200 -0.016 0.000 2.265 19 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 19 E C 1.027 177.620 176.600 -0.012 0.000 0.996 19 E CA 1.245 57.638 56.400 -0.012 0.000 0.832 19 E CB -0.723 28.970 29.700 -0.011 0.000 0.756 19 E HN 0.344 nan 8.360 nan 0.000 0.491 20 K N 0.735 121.126 120.400 -0.015 0.000 2.593 20 K HA 0.315 4.635 4.320 -0.000 0.000 0.208 20 K C 0.042 176.633 176.600 -0.015 0.000 1.051 20 K CA -0.201 56.078 56.287 -0.012 0.000 1.111 20 K CB 0.364 32.857 32.500 -0.011 0.000 0.849 20 K HN -0.014 nan 8.250 nan 0.000 0.479 21 L N 1.275 122.487 121.223 -0.018 0.000 3.737 21 L HA -0.338 4.002 4.340 -0.000 0.000 0.418 21 L C -0.759 176.092 176.870 -0.032 0.000 1.216 21 L CA 0.101 54.929 54.840 -0.020 0.000 0.915 21 L CB -1.949 40.102 42.059 -0.013 0.000 1.834 21 L HN 0.563 nan 8.230 nan 0.000 0.943 22 N N -2.523 116.151 118.700 -0.043 0.000 2.721 22 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 22 N C 0.630 176.115 175.510 -0.042 0.000 1.072 22 N CA 1.257 54.269 53.050 -0.064 0.000 0.710 22 N CB -0.800 37.614 38.487 -0.122 0.000 0.993 22 N HN 0.717 nan 8.380 nan 0.000 0.547 23 A N 0.164 122.975 122.820 -0.015 0.000 2.520 23 A HA 0.343 4.663 4.320 -0.000 0.000 0.235 23 A C 0.925 178.522 177.584 0.022 0.000 1.065 23 A CA 0.026 52.070 52.037 0.012 0.000 0.764 23 A CB 0.283 19.292 19.000 0.015 0.000 1.002 23 A HN 0.357 nan 8.150 nan 0.000 0.502 24 I N 2.090 122.701 120.570 0.069 0.000 2.395 24 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 24 I C 0.888 177.056 176.117 0.085 0.000 1.023 24 I CA 0.115 61.460 61.300 0.075 0.000 1.350 24 I CB 1.143 39.242 38.000 0.166 0.000 1.409 24 I HN 0.829 nan 8.210 nan 0.000 0.507 25 T N 0.952 115.516 114.554 0.017 0.000 2.887 25 T HA 0.428 4.778 4.350 -0.000 0.000 0.292 25 T C 1.022 175.718 174.700 -0.006 0.000 1.087 25 T CA -0.335 61.779 62.100 0.025 0.000 1.009 25 T CB 1.571 70.438 68.868 -0.002 0.000 1.203 25 T HN 0.628 nan 8.240 nan 0.000 0.518 26 G N -0.249 108.574 108.800 0.039 0.000 2.440 26 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 26 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 26 G C 1.135 176.017 174.900 -0.030 0.000 1.154 26 G CA 1.126 46.245 45.100 0.032 0.000 0.767 26 G HN 0.942 nan 8.290 nan 0.000 0.552 27 E N -0.329 119.856 120.200 -0.024 0.000 2.077 27 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 27 E C 2.366 178.945 176.600 -0.035 0.000 0.989 27 E CA 0.813 57.197 56.400 -0.027 0.000 0.800 27 E CB -0.201 29.486 29.700 -0.022 0.000 0.746 27 E HN 0.310 nan 8.360 nan 0.000 0.452 28 L N 0.864 122.060 121.223 -0.045 0.000 2.046 28 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 28 L C 2.155 178.985 176.870 -0.066 0.000 1.077 28 L CA 1.529 56.337 54.840 -0.053 0.000 0.747 28 L CB -0.394 41.630 42.059 -0.057 0.000 0.896 28 L HN 0.239 nan 8.230 nan 0.000 0.432 29 L N -0.749 120.409 121.223 -0.109 0.000 2.083 29 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 29 L C 2.241 179.081 176.870 -0.049 0.000 1.083 29 L CA 1.230 55.989 54.840 -0.135 0.000 0.752 29 L CB -0.847 41.040 42.059 -0.287 0.000 0.899 29 L HN 0.312 nan 8.230 nan 0.000 0.433 30 D N 0.289 120.666 120.400 -0.039 0.000 2.117 30 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 30 D C 2.223 178.556 176.300 0.056 0.000 0.987 30 D CA 1.575 55.581 54.000 0.010 0.000 0.829 30 D CB 0.038 40.833 40.800 -0.009 0.000 0.961 30 D HN 0.340 nan 8.370 nan 0.000 0.460 31 A N 0.885 123.714 122.820 0.016 0.000 1.898 31 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 31 A C 2.157 179.748 177.584 0.011 0.000 1.181 31 A CA 0.830 52.873 52.037 0.010 0.000 0.620 31 A CB -0.597 18.397 19.000 -0.010 0.000 0.819 31 A HN 0.214 nan 8.150 nan 0.000 0.442 32 L N -1.537 119.691 121.223 0.009 0.000 2.056 32 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 32 L C 2.273 179.156 176.870 0.022 0.000 1.078 32 L CA 2.334 57.176 54.840 0.004 0.000 0.749 32 L CB -1.023 41.034 42.059 -0.005 0.000 0.901 32 L HN 0.527 nan 8.230 nan 0.000 0.433 33 Y N 0.137 120.400 120.300 -0.062 0.000 2.145 33 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 33 Y C 2.392 178.265 175.900 -0.045 0.000 1.145 33 Y CA 2.138 60.203 58.100 -0.059 0.000 1.148 33 Y CB -0.405 38.015 38.460 -0.068 0.000 0.981 33 Y HN 0.259 nan 8.280 nan 0.000 0.507 34 A N 0.459 123.282 122.820 0.004 0.000 1.902 34 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 34 A C 2.372 179.886 177.584 -0.117 0.000 1.181 34 A CA 1.879 53.876 52.037 -0.066 0.000 0.623 34 A CB -1.473 17.539 19.000 0.019 0.000 0.818 34 A HN 0.626 nan 8.150 nan 0.000 0.443 35 A N -0.427 122.345 122.820 -0.081 0.000 1.930 35 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 35 A C 2.155 179.679 177.584 -0.100 0.000 1.175 35 A CA 1.379 53.374 52.037 -0.070 0.000 0.627 35 A CB -0.522 18.453 19.000 -0.041 0.000 0.815 35 A HN 0.463 nan 8.150 nan 0.000 0.443 36 L N -0.762 120.375 121.223 -0.142 0.000 2.056 36 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 36 L C 2.602 179.345 176.870 -0.212 0.000 1.078 36 L CA 1.826 56.571 54.840 -0.158 0.000 0.749 36 L CB -0.367 41.591 42.059 -0.168 0.000 0.901 36 L HN 0.450 nan 8.230 nan 0.000 0.433 37 K N 0.442 120.639 120.400 -0.339 0.000 2.057 37 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 37 K C 2.089 178.589 176.600 -0.166 0.000 1.049 37 K CA 1.694 57.794 56.287 -0.313 0.000 0.931 37 K CB -0.015 32.229 32.500 -0.426 0.000 0.714 37 K HN 0.259 nan 8.250 nan 0.000 0.440 38 E N -0.606 119.514 120.200 -0.133 0.000 2.051 38 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 38 E C 1.917 178.481 176.600 -0.060 0.000 0.991 38 E CA 1.414 57.767 56.400 -0.078 0.000 0.799 38 E CB -0.286 29.378 29.700 -0.060 0.000 0.748 38 E HN 0.490 nan 8.360 nan 0.000 0.449 39 G N 0.678 109.441 108.800 -0.062 0.000 2.422 39 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 39 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 39 G C 1.497 176.376 174.900 -0.035 0.000 1.146 39 G CA 1.013 46.090 45.100 -0.038 0.000 0.769 39 G HN 0.344 nan 8.290 nan 0.000 0.547 40 E N 1.127 121.294 120.200 -0.055 0.000 2.047 40 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 40 E C 2.280 178.860 176.600 -0.034 0.000 0.987 40 E CA 1.552 57.925 56.400 -0.045 0.000 0.799 40 E CB -0.363 29.295 29.700 -0.070 0.000 0.752 40 E HN 0.580 nan 8.360 nan 0.000 0.449 41 E N 0.256 120.429 120.200 -0.044 0.000 2.208 41 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 41 E C 0.090 176.678 176.600 -0.019 0.000 0.988 41 E CA 0.541 56.923 56.400 -0.031 0.000 0.828 41 E CB -0.077 29.601 29.700 -0.037 0.000 0.763 41 E HN 0.221 nan 8.360 nan 0.000 0.478 42 D N 0.376 120.765 120.400 -0.019 0.000 2.342 42 D HA 0.014 4.654 4.640 -0.000 0.000 0.260 42 D C 1.099 177.399 176.300 -0.000 0.000 1.278 42 D CA 0.225 54.219 54.000 -0.009 0.000 0.910 42 D CB 0.700 41.495 40.800 -0.009 0.000 1.079 42 D HN 0.056 nan 8.370 nan 0.000 0.496 43 R N 3.147 123.649 120.500 0.003 0.000 2.241 43 R HA -0.096 4.244 4.340 -0.000 0.000 0.224 43 R C 2.000 178.309 176.300 0.015 0.000 1.101 43 R CA 2.011 58.117 56.100 0.009 0.000 0.995 43 R CB -1.448 28.857 30.300 0.009 0.000 0.870 43 R HN 0.659 nan 8.270 nan 0.000 0.463 44 E N -0.130 120.078 120.200 0.013 0.000 2.285 44 E HA 0.217 4.567 4.350 -0.000 0.000 0.194 44 E C 0.937 177.551 176.600 0.023 0.000 0.997 44 E CA 0.782 57.193 56.400 0.018 0.000 0.845 44 E CB -0.088 29.620 29.700 0.014 0.000 0.782 44 E HN 0.434 nan 8.360 nan 0.000 0.491 45 V N 1.557 121.483 119.914 0.019 0.000 2.408 45 V HA 0.308 4.428 4.120 -0.000 0.000 0.267 45 V C 0.889 177.004 176.094 0.034 0.000 1.047 45 V CA -0.013 62.301 62.300 0.023 0.000 0.937 45 V CB 0.988 32.818 31.823 0.013 0.000 0.999 45 V HN 0.412 nan 8.190 nan 0.000 0.472 46 R N 2.806 123.335 120.500 0.048 0.000 2.472 46 R HA 0.627 4.967 4.340 -0.000 0.000 0.279 46 R C 0.154 176.503 176.300 0.081 0.000 0.953 46 R CA 0.287 56.428 56.100 0.069 0.000 1.088 46 R CB 1.061 31.410 30.300 0.082 0.000 1.197 46 R HN 0.754 nan 8.270 nan 0.000 0.536 47 A N 0.514 123.368 122.820 0.056 0.000 2.594 47 A HA 0.539 4.859 4.320 -0.000 0.000 0.296 47 A C -1.964 175.640 177.584 0.034 0.000 1.056 47 A CA -0.710 51.353 52.037 0.044 0.000 0.693 47 A CB 1.052 20.078 19.000 0.042 0.000 1.278 47 A HN 0.034 nan 8.150 nan 0.000 0.408 48 L N 0.930 122.172 121.223 0.032 0.000 2.341 48 L HA 0.852 5.192 4.340 -0.000 0.000 0.267 48 L C -0.826 176.072 176.870 0.046 0.000 1.009 48 L CA -0.620 54.242 54.840 0.036 0.000 0.819 48 L CB 1.909 43.989 42.059 0.035 0.000 1.323 48 L HN 0.731 nan 8.230 nan 0.000 0.425 49 L N 2.908 124.163 121.223 0.053 0.000 2.406 49 L HA 0.703 5.043 4.340 -0.000 0.000 0.272 49 L C -1.712 175.211 176.870 0.088 0.000 0.980 49 L CA -0.463 54.419 54.840 0.070 0.000 0.831 49 L CB 1.633 43.727 42.059 0.059 0.000 1.253 49 L HN 0.505 nan 8.230 nan 0.000 0.406 50 L N 4.832 126.135 121.223 0.134 0.000 2.322 50 L HA 0.894 5.234 4.340 -0.000 0.000 0.281 50 L C -0.333 176.701 176.870 0.272 0.000 1.014 50 L CA 0.553 55.497 54.840 0.172 0.000 0.815 50 L CB 1.846 44.036 42.059 0.218 0.000 1.247 50 L HN 0.817 nan 8.230 nan 0.000 0.421 51 T N 2.274 116.944 114.554 0.193 0.000 2.671 51 T HA 0.820 5.170 4.350 -0.000 0.000 0.300 51 T C -0.890 173.785 174.700 -0.042 0.000 1.238 51 T CA -0.130 62.117 62.100 0.247 0.000 1.020 51 T CB 1.318 70.290 68.868 0.174 0.000 1.503 51 T HN 0.870 nan 8.240 nan 0.000 0.497 52 G N 0.218 109.003 108.800 -0.026 0.000 2.481 52 G HA2 0.720 4.680 3.960 -0.000 0.000 0.315 52 G HA3 0.720 4.680 3.960 -0.000 0.000 0.315 52 G C -0.719 174.153 174.900 -0.047 0.000 1.231 52 G CA -0.201 44.803 45.100 -0.161 0.000 0.968 52 G HN 0.908 nan 8.290 nan 0.000 0.482 53 A N -0.053 122.731 122.820 -0.061 0.000 2.286 53 A HA 0.905 5.225 4.320 -0.000 0.000 0.286 53 A C 1.159 178.731 177.584 -0.021 0.000 1.097 53 A CA 0.850 52.870 52.037 -0.028 0.000 0.821 53 A CB 0.255 19.236 19.000 -0.031 0.000 1.076 53 A HN 2.684 nan 8.150 nan 0.000 0.490 54 G N -0.546 108.249 108.800 -0.008 0.000 2.553 54 G HA2 0.115 4.075 3.960 -0.000 0.000 0.242 54 G HA3 0.115 4.075 3.960 -0.000 0.000 0.242 54 G C 0.891 175.793 174.900 0.003 0.000 1.277 54 G CA 1.345 46.442 45.100 -0.005 0.000 0.910 54 G HN 1.929 nan 8.290 nan 0.000 0.576 55 R N -0.440 120.061 120.500 0.001 0.000 2.236 55 R HA 0.747 5.087 4.340 -0.000 0.000 0.208 55 R C 1.463 177.768 176.300 0.009 0.000 1.036 55 R CA 2.549 58.652 56.100 0.005 0.000 1.001 55 R CB -0.524 29.776 30.300 0.000 0.000 0.896 55 R HN 2.504 nan 8.270 nan 0.000 0.464 56 A N -1.849 120.976 122.820 0.009 0.000 2.430 56 A HA 0.698 5.018 4.320 -0.000 0.000 0.300 56 A C 0.315 177.930 177.584 0.052 0.000 1.124 56 A CA -0.561 51.490 52.037 0.024 0.000 0.766 56 A CB 0.793 19.797 19.000 0.007 0.000 1.328 56 A HN 0.276 nan 8.150 nan 0.000 0.424 57 F N 1.224 121.136 119.950 -0.063 0.000 2.074 57 F HA 0.347 4.874 4.527 0.000 0.000 0.290 57 F C 0.888 176.674 175.800 -0.024 0.000 1.118 57 F CA 1.732 59.706 58.000 -0.045 0.000 1.199 57 F CB 0.209 39.163 39.000 -0.077 0.000 1.012 57 F HN 0.643 nan 8.300 nan 0.000 0.472 58 S N -1.336 114.421 115.700 0.094 0.000 2.586 58 S HA 0.510 4.980 4.470 -0.000 0.000 0.296 58 S C -0.146 174.494 174.600 0.067 0.000 1.120 58 S CA -0.322 57.885 58.200 0.012 0.000 0.927 58 S CB 0.694 63.866 63.200 -0.047 0.000 1.114 58 S HN 0.538 nan 8.310 nan 0.000 0.453 59 A N 2.928 125.760 122.820 0.021 0.000 2.238 59 A HA 0.625 4.945 4.320 -0.000 0.000 0.208 59 A C 1.518 179.101 177.584 -0.002 0.000 1.177 59 A CA 1.047 53.086 52.037 0.004 0.000 0.804 59 A CB -1.322 17.674 19.000 -0.007 0.000 0.823 59 A HN 2.369 nan 8.150 nan 0.000 0.482 60 G N -0.722 108.100 108.800 0.037 0.000 2.615 60 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 60 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 60 G C -0.180 174.779 174.900 0.098 0.000 1.339 60 G CA -0.109 45.023 45.100 0.053 0.000 0.884 60 G HN 1.038 nan 8.290 nan 0.000 0.559 61 Q N 0.497 120.382 119.800 0.143 0.000 2.308 61 Q HA 0.297 4.637 4.340 -0.000 0.000 0.313 61 Q C 0.185 176.255 176.000 0.116 0.000 1.075 61 Q CA 0.914 56.843 55.803 0.211 0.000 0.995 61 Q CB 0.533 29.423 28.738 0.253 0.000 1.107 61 Q HN 0.654 nan 8.270 nan 0.000 0.380 62 D N 4.290 124.752 120.400 0.103 0.000 2.338 62 D HA 0.004 4.644 4.640 -0.000 0.000 0.255 62 D C 0.472 176.796 176.300 0.041 0.000 1.237 62 D CA 0.098 54.129 54.000 0.051 0.000 0.883 62 D CB 0.515 41.335 40.800 0.032 0.000 1.087 62 D HN 0.771 nan 8.370 nan 0.000 0.485 63 L N 2.946 124.190 121.223 0.035 0.000 2.456 63 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 63 L C 2.173 179.049 176.870 0.010 0.000 1.148 63 L CA 1.194 56.053 54.840 0.032 0.000 0.825 63 L CB -0.488 41.591 42.059 0.033 0.000 0.937 63 L HN 0.497 nan 8.230 nan 0.000 0.450 64 T N -4.323 110.232 114.554 0.002 0.000 3.100 64 T HA -0.002 4.348 4.350 -0.000 0.000 0.253 64 T C 0.804 175.491 174.700 -0.022 0.000 1.118 64 T CA -0.215 61.880 62.100 -0.008 0.000 1.058 64 T CB 0.176 69.040 68.868 -0.006 0.000 0.953 64 T HN 0.308 nan 8.240 nan 0.000 0.515 71 P HA 0.234 nan 4.420 nan 0.000 0.258 71 P C -0.834 176.509 177.300 0.071 0.000 1.187 71 P CA 0.310 63.423 63.100 0.022 0.000 0.767 71 P CB 0.842 32.656 31.700 0.190 0.000 0.770 72 D N 1.973 122.357 120.400 -0.027 0.000 2.460 72 D HA 0.126 4.766 4.640 -0.000 0.000 0.268 72 D C 0.243 176.576 176.300 0.055 0.000 1.153 72 D CA -0.493 53.536 54.000 0.049 0.000 0.929 72 D CB -0.042 40.772 40.800 0.024 0.000 1.015 72 D HN 0.224 nan 8.370 nan 0.000 0.502 73 Y N 1.054 121.407 120.300 0.088 0.000 2.242 73 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 73 Y C 2.267 178.222 175.900 0.091 0.000 1.137 73 Y CA 1.122 59.294 58.100 0.120 0.000 1.181 73 Y CB -0.019 38.488 38.460 0.079 0.000 0.989 73 Y HN 0.425 nan 8.280 nan 0.000 0.527 74 E N 0.079 120.401 120.200 0.203 0.000 2.085 74 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 74 E C 2.293 178.946 176.600 0.089 0.000 0.994 74 E CA 1.174 57.643 56.400 0.115 0.000 0.801 74 E CB -0.156 29.591 29.700 0.079 0.000 0.743 74 E HN 0.436 nan 8.360 nan 0.000 0.453 75 A N 0.015 122.889 122.820 0.090 0.000 1.898 75 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 75 A C 1.943 179.587 177.584 0.099 0.000 1.183 75 A CA 1.594 53.673 52.037 0.071 0.000 0.622 75 A CB -0.737 18.297 19.000 0.055 0.000 0.824 75 A HN 0.429 nan 8.150 nan 0.000 0.444 76 H N -0.009 119.072 119.070 0.018 0.000 2.457 76 H HA 0.103 4.659 4.556 0.000 0.000 0.294 76 H C 1.216 176.620 175.328 0.127 0.000 1.064 76 H CA 1.076 57.143 56.048 0.031 0.000 1.330 76 H CB -0.364 29.373 29.762 -0.041 0.000 1.395 76 H HN 0.335 nan 8.280 nan 0.000 0.541 77 L N 0.750 121.976 121.223 0.005 0.000 2.762 77 L HA -0.001 4.339 4.340 -0.000 0.000 0.250 77 L C 2.390 179.259 176.870 -0.001 0.000 1.160 77 L CA 0.361 55.201 54.840 -0.000 0.000 0.951 77 L CB -0.281 41.794 42.059 0.027 0.000 1.148 77 L HN 0.313 nan 8.230 nan 0.000 0.424 78 R N 0.242 120.720 120.500 -0.037 0.000 2.080 78 R HA -0.053 4.287 4.340 -0.000 0.000 0.222 78 R C 2.237 178.476 176.300 -0.101 0.000 1.107 78 R CA 0.725 56.793 56.100 -0.053 0.000 0.980 78 R CB 0.110 30.383 30.300 -0.044 0.000 0.879 78 R HN 0.273 nan 8.270 nan 0.000 0.439 79 R N -0.815 119.601 120.500 -0.139 0.000 2.092 79 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 79 R C 2.075 178.252 176.300 -0.204 0.000 1.119 79 R CA 1.678 57.652 56.100 -0.209 0.000 0.970 79 R CB -0.356 29.797 30.300 -0.245 0.000 0.864 79 R HN 0.293 nan 8.270 nan 0.000 0.440 80 Y N 1.041 121.233 120.300 -0.179 0.000 2.184 80 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 80 Y C 2.187 178.038 175.900 -0.081 0.000 1.129 80 Y CA 1.210 59.252 58.100 -0.096 0.000 1.144 80 Y CB -0.187 38.230 38.460 -0.070 0.000 0.995 80 Y HN 0.043 nan 8.280 nan 0.000 0.513 81 N N -0.092 118.652 118.700 0.074 0.000 2.120 81 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 81 N C 2.232 177.705 175.510 -0.062 0.000 1.024 81 N CA 1.786 54.834 53.050 -0.004 0.000 0.852 81 N CB -0.638 37.840 38.487 -0.016 0.000 1.003 81 N HN 0.371 nan 8.380 nan 0.000 0.424 82 R N 0.874 121.317 120.500 -0.095 0.000 2.096 82 R HA 0.037 4.377 4.340 -0.000 0.000 0.235 82 R C 2.404 178.686 176.300 -0.029 0.000 1.127 82 R CA 1.476 57.500 56.100 -0.127 0.000 0.968 82 R CB -1.543 28.569 30.300 -0.314 0.000 0.861 82 R HN 0.155 nan 8.270 nan 0.000 0.440 83 V N 0.423 120.323 119.914 -0.023 0.000 2.427 83 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 83 V C 2.552 178.602 176.094 -0.074 0.000 1.051 83 V CA 1.753 64.090 62.300 0.062 0.000 1.048 83 V CB -0.037 31.797 31.823 0.017 0.000 0.666 83 V HN 0.415 nan 8.190 nan 0.000 0.456 84 V N -0.340 119.486 119.914 -0.146 0.000 2.358 84 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 84 V C 2.577 178.365 176.094 -0.511 0.000 1.047 84 V CA 1.701 63.758 62.300 -0.404 0.000 1.035 84 V CB -0.586 31.082 31.823 -0.258 0.000 0.658 84 V HN 0.551 nan 8.190 nan 0.000 0.452 85 E N 0.446 120.479 120.200 -0.277 0.000 2.077 85 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 85 E C 2.388 178.870 176.600 -0.196 0.000 0.989 85 E CA 1.584 57.846 56.400 -0.230 0.000 0.800 85 E CB -0.431 29.202 29.700 -0.112 0.000 0.746 85 E HN 0.579 nan 8.360 nan 0.000 0.452 86 A N 1.301 124.056 122.820 -0.107 0.000 1.877 86 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 86 A C 2.401 179.895 177.584 -0.150 0.000 1.186 86 A CA 1.064 53.049 52.037 -0.086 0.000 0.620 86 A CB -0.745 18.237 19.000 -0.029 0.000 0.822 86 A HN 0.152 nan 8.150 nan 0.000 0.443 87 L N 0.334 121.423 121.223 -0.224 0.000 2.012 87 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 87 L C 3.109 179.842 176.870 -0.230 0.000 1.073 87 L CA 1.819 56.529 54.840 -0.217 0.000 0.748 87 L CB -0.522 41.351 42.059 -0.310 0.000 0.891 87 L HN 0.640 nan 8.230 nan 0.000 0.431 88 S N -0.441 114.959 115.700 -0.499 0.000 2.399 88 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 88 S C 1.821 176.371 174.600 -0.083 0.000 1.022 88 S CA 1.115 59.114 58.200 -0.335 0.000 0.983 88 S CB -0.734 62.118 63.200 -0.580 0.000 0.803 88 S HN 0.444 nan 8.310 nan 0.000 0.480 89 G N 0.655 109.391 108.800 -0.107 0.000 3.042 89 G HA2 0.356 4.316 3.960 -0.000 0.000 0.212 89 G HA3 0.356 4.316 3.960 -0.000 0.000 0.212 89 G C 0.325 175.213 174.900 -0.019 0.000 1.166 89 G CA -0.574 44.500 45.100 -0.042 0.000 0.767 89 G HN 0.480 nan 8.290 nan 0.000 0.546 90 L N 1.209 122.421 121.223 -0.019 0.000 2.640 90 L HA -0.012 4.328 4.340 -0.000 0.000 0.280 90 L C 0.678 177.562 176.870 0.023 0.000 1.229 90 L CA 0.353 55.191 54.840 -0.002 0.000 0.919 90 L CB 0.515 42.581 42.059 0.011 0.000 1.168 90 L HN 0.260 nan 8.230 nan 0.000 0.496 91 E N 5.067 125.278 120.200 0.019 0.000 2.320 91 E HA 0.095 4.445 4.350 -0.000 0.000 0.234 91 E C -0.657 175.975 176.600 0.052 0.000 1.290 91 E CA -0.093 56.327 56.400 0.033 0.000 1.545 91 E CB 0.118 29.829 29.700 0.018 0.000 1.379 91 E HN 0.432 nan 8.360 nan 0.000 0.437 92 K N -0.839 119.600 120.400 0.065 0.000 2.610 92 K HA 0.335 4.655 4.320 -0.000 0.000 0.278 92 K C -3.259 173.380 176.600 0.065 0.000 0.964 92 K CA -1.899 54.443 56.287 0.090 0.000 0.859 92 K CB 1.183 33.724 32.500 0.068 0.000 1.434 92 K HN -0.230 nan 8.250 nan 0.000 0.410 93 P HA 0.054 nan 4.420 nan 0.000 0.268 93 P C -0.926 176.365 177.300 -0.014 0.000 1.205 93 P CA -0.402 62.661 63.100 -0.060 0.000 0.771 93 P CB 0.673 32.212 31.700 -0.268 0.000 0.858 94 L N 4.924 126.152 121.223 0.008 0.000 2.325 94 L HA 0.406 4.746 4.340 -0.000 0.000 0.281 94 L C -0.954 175.944 176.870 0.048 0.000 1.004 94 L CA -0.690 54.178 54.840 0.048 0.000 0.823 94 L CB 1.767 43.883 42.059 0.096 0.000 1.236 94 L HN 0.075 nan 8.230 nan 0.000 0.415 95 V N 5.714 125.658 119.914 0.050 0.000 2.483 95 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 95 V C -0.324 175.829 176.094 0.098 0.000 1.035 95 V CA -0.638 61.696 62.300 0.056 0.000 0.896 95 V CB 1.850 33.695 31.823 0.037 0.000 0.986 95 V HN 0.555 nan 8.190 nan 0.000 0.447 96 V N 3.447 123.424 119.914 0.106 0.000 2.540 96 V HA 0.792 4.912 4.120 -0.000 0.000 0.302 96 V C 0.124 176.274 176.094 0.094 0.000 1.035 96 V CA -0.494 61.883 62.300 0.128 0.000 0.873 96 V CB 1.910 33.794 31.823 0.102 0.000 0.992 96 V HN 0.986 nan 8.190 nan 0.000 0.428 97 A N 4.738 127.638 122.820 0.133 0.000 2.293 97 A HA 0.713 5.033 4.320 -0.000 0.000 0.312 97 A C -0.690 176.961 177.584 0.112 0.000 1.309 97 A CA -0.443 51.659 52.037 0.107 0.000 0.839 97 A CB 0.971 20.042 19.000 0.118 0.000 1.155 97 A HN 0.662 nan 8.150 nan 0.000 0.501 98 V N 4.798 124.701 119.914 -0.020 0.000 2.372 98 V HA 0.075 4.195 4.120 -0.000 0.000 0.261 98 V C 1.065 177.166 176.094 0.012 0.000 1.055 98 V CA -0.210 62.015 62.300 -0.126 0.000 0.930 98 V CB 0.088 31.726 31.823 -0.309 0.000 1.031 98 V HN 0.978 nan 8.190 nan 0.000 0.479 99 N N 3.856 122.623 118.700 0.113 0.000 2.422 99 N HA 0.121 4.861 4.740 -0.000 0.000 0.181 99 N C 0.624 176.154 175.510 0.034 0.000 1.080 99 N CA 0.904 53.999 53.050 0.075 0.000 0.893 99 N CB 1.325 39.869 38.487 0.095 0.000 0.973 99 N HN 0.635 nan 8.380 nan 0.000 0.456 100 G N 0.182 108.990 108.800 0.014 0.000 2.791 100 G HA2 0.308 4.269 3.960 -0.000 0.000 0.158 100 G HA3 0.308 4.269 3.960 -0.000 0.000 0.158 100 G C -1.520 173.323 174.900 -0.094 0.000 1.193 100 G CA -0.341 44.743 45.100 -0.026 0.000 1.032 100 G HN -0.032 nan 8.290 nan 0.000 0.557 101 V N 1.429 121.305 119.914 -0.064 0.000 2.599 101 V HA 0.435 4.555 4.120 -0.000 0.000 0.300 101 V C 0.599 176.643 176.094 -0.083 0.000 1.034 101 V CA 0.778 63.019 62.300 -0.098 0.000 1.115 101 V CB 0.779 32.573 31.823 -0.048 0.000 0.934 101 V HN 1.264 nan 8.190 nan 0.000 0.485 102 A N 4.811 127.506 122.820 -0.208 0.000 2.410 102 A HA 0.855 5.175 4.320 -0.000 0.000 0.289 102 A C -0.222 177.314 177.584 -0.080 0.000 1.200 102 A CA -0.006 51.955 52.037 -0.126 0.000 0.751 102 A CB 1.111 19.835 19.000 -0.461 0.000 1.161 102 A HN 1.297 nan 8.150 nan 0.000 0.459 103 A N 1.659 124.474 122.820 -0.009 0.000 2.454 103 A HA 0.942 5.262 4.320 -0.000 0.000 0.302 103 A C 0.852 178.378 177.584 -0.098 0.000 1.079 103 A CA 0.237 52.247 52.037 -0.044 0.000 0.731 103 A CB 0.807 19.768 19.000 -0.065 0.000 1.299 103 A HN 2.728 nan 8.150 nan 0.000 0.413 104 G N 0.635 109.282 108.800 -0.254 0.000 2.611 104 G HA2 0.047 4.007 3.960 -0.000 0.000 0.301 104 G HA3 0.047 4.007 3.960 -0.000 0.000 0.301 104 G C 1.402 176.168 174.900 -0.223 0.000 1.233 104 G CA 1.609 46.277 45.100 -0.721 0.000 0.993 104 G HN 2.271 nan 8.290 nan 0.000 0.553 105 A N -0.063 122.718 122.820 -0.066 0.000 2.070 105 A HA 0.271 4.591 4.320 -0.000 0.000 0.220 105 A C 2.820 180.591 177.584 0.313 0.000 1.159 105 A CA 2.372 54.600 52.037 0.319 0.000 0.656 105 A CB -1.006 18.204 19.000 0.350 0.000 0.800 105 A HN 2.133 nan 8.150 nan 0.000 0.453 106 G N -0.607 108.321 108.800 0.212 0.000 2.408 106 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 106 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 106 G C 1.596 176.696 174.900 0.334 0.000 1.150 106 G CA 1.123 46.394 45.100 0.285 0.000 0.776 106 G HN 0.523 nan 8.290 nan 0.000 0.542 107 M N 0.728 120.459 119.600 0.218 0.000 2.200 107 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 107 M C 2.667 179.115 176.300 0.246 0.000 1.066 107 M CA 1.467 56.895 55.300 0.213 0.000 1.127 107 M CB 0.011 32.731 32.600 0.200 0.000 1.379 107 M HN 0.200 nan 8.290 nan 0.000 0.420 108 S N 1.265 117.144 115.700 0.299 0.000 2.365 108 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 108 S C 1.756 176.587 174.600 0.385 0.000 1.039 108 S CA 1.574 59.964 58.200 0.316 0.000 1.033 108 S CB -0.614 62.821 63.200 0.392 0.000 0.887 108 S HN 0.514 nan 8.310 nan 0.000 0.447 109 L N 1.026 122.520 121.223 0.452 0.000 2.056 109 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 109 L C 2.826 179.975 176.870 0.464 0.000 1.078 109 L CA 1.120 56.274 54.840 0.522 0.000 0.749 109 L CB -0.774 41.562 42.059 0.462 0.000 0.901 109 L HN 0.330 nan 8.230 nan 0.000 0.433 110 A N 0.278 123.306 122.820 0.347 0.000 1.940 110 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 110 A C 2.165 179.796 177.584 0.077 0.000 1.176 110 A CA 1.353 53.413 52.037 0.038 0.000 0.631 110 A CB -0.699 18.074 19.000 -0.378 0.000 0.814 110 A HN 0.405 nan 8.150 nan 0.000 0.446 111 L N -2.734 118.529 121.223 0.066 0.000 2.551 111 L HA -0.113 4.227 4.340 -0.000 0.000 0.228 111 L C 1.866 178.649 176.870 -0.144 0.000 1.153 111 L CA 0.251 55.046 54.840 -0.074 0.000 0.851 111 L CB -0.377 41.588 42.059 -0.156 0.000 0.959 111 L HN 0.595 nan 8.230 nan 0.000 0.451 112 W N 0.710 122.079 121.300 0.115 0.000 3.180 112 W HA 0.108 4.768 4.660 -0.000 0.000 0.254 112 W C 1.639 178.217 176.519 0.098 0.000 1.318 112 W CA -0.277 57.135 57.345 0.112 0.000 1.608 112 W CB -0.057 29.473 29.460 0.116 0.000 1.124 112 W HN 0.029 nan 8.180 nan 0.000 0.694 113 G N 0.580 109.524 108.800 0.240 0.000 2.491 113 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.242 113 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.242 113 G C 0.521 175.513 174.900 0.154 0.000 1.266 113 G CA -0.280 44.931 45.100 0.185 0.000 0.844 113 G HN 0.032 nan 8.290 nan 0.000 0.571 114 D N 0.443 120.914 120.400 0.119 0.000 2.137 114 D HA -0.024 4.616 4.640 -0.000 0.000 0.202 114 D C 0.896 177.228 176.300 0.053 0.000 0.970 114 D CA 1.067 55.112 54.000 0.076 0.000 0.837 114 D CB 0.320 41.124 40.800 0.007 0.000 0.981 114 D HN 0.148 nan 8.370 nan 0.000 0.475 115 L N 0.800 122.042 121.223 0.031 0.000 2.381 115 L HA 0.445 4.785 4.340 -0.000 0.000 0.274 115 L C -0.357 176.616 176.870 0.172 0.000 0.988 115 L CA -0.582 54.257 54.840 -0.002 0.000 0.824 115 L CB 2.333 44.310 42.059 -0.136 0.000 1.263 115 L HN -0.335 nan 8.230 nan 0.000 0.410 116 R N 3.627 124.363 120.500 0.393 0.000 2.599 116 R HA 0.781 5.121 4.340 -0.000 0.000 0.295 116 R C -1.541 174.838 176.300 0.132 0.000 0.963 116 R CA -0.869 55.335 56.100 0.174 0.000 0.883 116 R CB 2.366 32.698 30.300 0.052 0.000 1.171 116 R HN 0.300 nan 8.270 nan 0.000 0.450 117 L N 1.399 122.674 121.223 0.087 0.000 2.354 117 L HA 0.804 5.144 4.340 -0.000 0.000 0.269 117 L C -0.488 176.429 176.870 0.077 0.000 1.005 117 L CA -0.553 54.331 54.840 0.075 0.000 0.819 117 L CB 2.142 44.243 42.059 0.069 0.000 1.311 117 L HN 0.789 nan 8.230 nan 0.000 0.423 118 A N 1.075 123.945 122.820 0.083 0.000 2.401 118 A HA 0.956 5.276 4.320 -0.000 0.000 0.310 118 A C -0.771 176.855 177.584 0.071 0.000 1.075 118 A CA -0.410 51.690 52.037 0.105 0.000 0.746 118 A CB 1.533 20.655 19.000 0.203 0.000 1.277 118 A HN 0.791 nan 8.150 nan 0.000 0.425 119 A N 0.889 123.742 122.820 0.055 0.000 2.293 119 A HA 0.618 4.938 4.320 -0.000 0.000 0.302 119 A C 0.200 177.808 177.584 0.040 0.000 1.119 119 A CA -0.402 51.660 52.037 0.043 0.000 0.823 119 A CB 0.286 19.308 19.000 0.036 0.000 1.097 119 A HN 1.288 nan 8.150 nan 0.000 0.491 120 V N 1.398 121.332 119.914 0.033 0.000 2.694 120 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 120 V C 1.657 177.765 176.094 0.024 0.000 1.054 120 V CA 2.108 64.426 62.300 0.030 0.000 1.161 120 V CB 0.253 32.090 31.823 0.023 0.000 0.916 120 V HN 1.954 nan 8.190 nan 0.000 0.490 121 G N 3.273 112.086 108.800 0.023 0.000 2.234 121 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.235 121 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.235 121 G C 0.489 175.389 174.900 -0.001 0.000 0.997 121 G CA 0.189 45.297 45.100 0.012 0.000 0.623 121 G HN 1.551 nan 8.290 nan 0.000 0.514 122 A N 0.129 122.948 122.820 -0.002 0.000 2.406 122 A HA 0.751 5.071 4.320 -0.000 0.000 0.243 122 A C 0.790 178.335 177.584 -0.066 0.000 1.082 122 A CA 1.290 53.288 52.037 -0.065 0.000 0.786 122 A CB 0.458 19.412 19.000 -0.077 0.000 1.029 122 A HN 2.098 nan 8.150 nan 0.000 0.495 123 S N -0.541 115.033 115.700 -0.210 0.000 2.588 123 S HA 0.806 5.276 4.470 -0.000 0.000 0.275 123 S C -1.076 173.303 174.600 -0.368 0.000 1.130 123 S CA -0.636 57.496 58.200 -0.114 0.000 0.855 123 S CB 1.142 64.315 63.200 -0.044 0.000 1.116 123 S HN 0.517 nan 8.310 nan 0.000 0.472 124 F N 0.605 120.540 119.950 -0.025 0.000 2.499 124 F HA 0.556 5.084 4.527 0.000 0.000 0.333 124 F C -0.022 175.767 175.800 -0.018 0.000 1.138 124 F CA -0.382 57.602 58.000 -0.028 0.000 0.945 124 F CB 2.644 41.616 39.000 -0.047 0.000 1.181 124 F HN 0.602 nan 8.300 nan 0.000 0.435 125 T N 0.399 115.015 114.554 0.104 0.000 2.847 125 T HA 0.170 4.520 4.350 -0.000 0.000 0.291 125 T C 1.007 175.738 174.700 0.053 0.000 0.998 125 T CA -0.621 61.516 62.100 0.061 0.000 0.967 125 T CB 1.536 70.411 68.868 0.011 0.000 0.954 125 T HN 0.730 nan 8.240 nan 0.000 0.441 126 T N 1.045 115.647 114.554 0.080 0.000 2.759 126 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 126 T C 2.195 176.916 174.700 0.035 0.000 1.042 126 T CA 1.310 63.485 62.100 0.125 0.000 1.140 126 T CB -0.548 68.416 68.868 0.159 0.000 0.864 126 T HN 1.172 nan 8.240 nan 0.000 0.455 127 A N 0.704 123.522 122.820 -0.003 0.000 4.021 127 A HA -0.300 4.020 4.320 -0.000 0.000 0.245 127 A C 1.517 179.057 177.584 -0.073 0.000 0.552 127 A CA 1.989 53.979 52.037 -0.079 0.000 1.122 127 A CB -2.559 16.338 19.000 -0.171 0.000 1.249 127 A HN 0.599 nan 8.150 nan 0.000 0.655 128 F N -0.660 119.292 119.950 0.004 0.000 2.063 128 F HA -0.211 4.316 4.527 0.000 0.000 0.298 128 F C 2.492 178.275 175.800 -0.028 0.000 1.109 128 F CA 2.260 60.249 58.000 -0.017 0.000 1.212 128 F CB -0.762 38.219 39.000 -0.031 0.000 0.973 128 F HN 0.260 nan 8.300 nan 0.000 0.480 129 V N 0.661 120.680 119.914 0.175 0.000 2.568 129 V HA -0.266 3.854 4.120 -0.000 0.000 0.253 129 V C 2.276 178.397 176.094 0.045 0.000 1.072 129 V CA 1.735 64.084 62.300 0.082 0.000 1.084 129 V CB -0.425 31.433 31.823 0.059 0.000 0.676 129 V HN 0.286 nan 8.190 nan 0.000 0.469 130 R N 0.276 120.797 120.500 0.035 0.000 2.193 130 R HA -0.006 4.334 4.340 -0.000 0.000 0.229 130 R C 1.612 177.919 176.300 0.012 0.000 1.110 130 R CA 1.728 57.837 56.100 0.014 0.000 0.988 130 R CB -0.260 30.040 30.300 0.001 0.000 0.871 130 R HN 0.770 nan 8.270 nan 0.000 0.458 131 I N -4.316 116.265 120.570 0.018 0.000 3.856 131 I HA 0.432 4.602 4.170 -0.000 0.000 0.330 131 I C 0.403 176.525 176.117 0.009 0.000 1.546 131 I CA -0.109 61.200 61.300 0.015 0.000 1.132 131 I CB 0.861 38.874 38.000 0.021 0.000 1.157 131 I HN 0.083 nan 8.210 nan 0.000 0.440 132 G N 2.013 110.819 108.800 0.009 0.000 2.176 132 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 132 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 132 G C -0.176 174.704 174.900 -0.033 0.000 1.024 132 G CA 0.522 45.617 45.100 -0.008 0.000 0.755 132 G HN 0.474 nan 8.290 nan 0.000 0.507 133 L N -1.003 120.217 121.223 -0.005 0.000 2.271 133 L HA 0.854 5.194 4.340 -0.000 0.000 0.265 133 L C 1.015 177.873 176.870 -0.019 0.000 1.013 133 L CA -1.363 53.450 54.840 -0.045 0.000 0.820 133 L CB 1.742 43.797 42.059 -0.008 0.000 1.352 133 L HN 0.209 nan 8.230 nan 0.000 0.443 134 V N -1.904 117.928 119.914 -0.136 0.000 3.096 134 V HA 0.612 4.732 4.120 -0.000 0.000 0.319 134 V C -2.501 173.279 176.094 -0.523 0.000 1.082 134 V CA -2.181 59.998 62.300 -0.200 0.000 1.022 134 V CB 1.060 32.775 31.823 -0.180 0.000 1.103 134 V HN 0.576 nan 8.190 nan 0.000 0.455 135 P HA 0.301 nan 4.420 nan 0.000 0.271 135 P C -1.379 175.434 177.300 -0.811 0.000 1.216 135 P CA 0.428 62.977 63.100 -0.919 0.000 0.771 135 P CB 0.885 32.396 31.700 -0.315 0.000 0.864 136 D N -0.616 119.154 120.400 -1.050 0.000 2.758 136 D HA 0.307 4.947 4.640 -0.000 0.000 0.279 136 D C -0.419 175.797 176.300 -0.140 0.000 1.111 136 D CA -1.013 52.725 54.000 -0.436 0.000 1.109 136 D CB 0.038 40.616 40.800 -0.369 0.000 1.428 136 D HN 0.152 nan 8.370 nan 0.000 0.586 137 S N -1.414 114.269 115.700 -0.028 0.000 3.587 137 S HA 0.056 4.526 4.470 -0.000 0.000 0.337 137 S C 1.261 176.044 174.600 0.306 0.000 1.119 137 S CA 1.496 59.790 58.200 0.157 0.000 0.976 137 S CB -1.884 61.465 63.200 0.248 0.000 0.922 137 S HN 1.742 nan 8.310 nan 0.000 0.503 138 G N -0.749 108.190 108.800 0.231 0.000 2.176 138 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.253 138 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.253 138 G C 0.592 175.641 174.900 0.249 0.000 0.979 138 G CA 0.527 45.842 45.100 0.358 0.000 0.641 138 G HN 0.874 nan 8.290 nan 0.000 0.530 139 L N 2.222 123.527 121.223 0.138 0.000 2.083 139 L HA 0.073 4.413 4.340 -0.000 0.000 0.209 139 L C 2.920 179.801 176.870 0.018 0.000 1.083 139 L CA 3.210 58.087 54.840 0.061 0.000 0.752 139 L CB -0.551 41.556 42.059 0.080 0.000 0.899 139 L HN 0.790 nan 8.230 nan 0.000 0.433 140 S N -1.795 113.911 115.700 0.010 0.000 2.453 140 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 140 S C 1.961 176.579 174.600 0.030 0.000 1.005 140 S CA 0.940 59.135 58.200 -0.008 0.000 0.949 140 S CB -0.972 62.210 63.200 -0.029 0.000 0.774 140 S HN 0.489 nan 8.310 nan 0.000 0.510 141 F N 1.764 121.678 119.950 -0.060 0.000 2.147 141 F HA 0.328 4.855 4.527 -0.000 0.000 0.291 141 F C 1.906 177.618 175.800 -0.146 0.000 1.093 141 F CA 0.777 58.739 58.000 -0.064 0.000 1.263 141 F CB -0.262 38.763 39.000 0.042 0.000 1.036 141 F HN 0.110 nan 8.300 nan 0.000 0.481 142 L N -0.274 120.990 121.223 0.068 0.000 2.027 142 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 142 L C 2.408 179.143 176.870 -0.225 0.000 1.074 142 L CA 0.767 55.498 54.840 -0.182 0.000 0.745 142 L CB -0.770 41.065 42.059 -0.373 0.000 0.898 142 L HN 0.258 nan 8.230 nan 0.000 0.433 143 L N 0.708 121.835 121.223 -0.160 0.000 1.990 143 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 143 L C -0.438 176.329 176.870 -0.173 0.000 1.072 143 L CA 2.329 57.081 54.840 -0.147 0.000 0.755 143 L CB -1.541 40.464 42.059 -0.089 0.000 0.889 143 L HN 0.076 nan 8.230 nan 0.000 0.432 144 P HA -0.130 nan 4.420 nan 0.000 0.217 144 P C 1.454 178.590 177.300 -0.273 0.000 1.150 144 P CA 1.514 64.484 63.100 -0.217 0.000 0.832 144 P CB -0.039 31.520 31.700 -0.236 0.000 0.787 145 R N -0.839 119.437 120.500 -0.374 0.000 2.075 145 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 145 R C 2.299 178.490 176.300 -0.182 0.000 1.126 145 R CA 1.062 56.922 56.100 -0.400 0.000 0.963 145 R CB -0.920 29.059 30.300 -0.535 0.000 0.858 145 R HN 0.228 nan 8.270 nan 0.000 0.435 146 L N 0.135 121.251 121.223 -0.178 0.000 2.072 146 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 146 L C 1.983 178.779 176.870 -0.123 0.000 1.079 146 L CA 0.886 55.645 54.840 -0.136 0.000 0.752 146 L CB -0.070 41.887 42.059 -0.170 0.000 0.906 146 L HN 0.152 nan 8.230 nan 0.000 0.436 147 V N -4.053 115.782 119.914 -0.132 0.000 3.477 147 V HA 0.606 4.726 4.120 -0.000 0.000 0.297 147 V C 0.584 176.622 176.094 -0.094 0.000 1.433 147 V CA -0.002 62.231 62.300 -0.112 0.000 1.052 147 V CB -0.323 31.427 31.823 -0.122 0.000 0.895 147 V HN 0.386 nan 8.190 nan 0.000 0.438 148 G N 0.560 109.299 108.800 -0.102 0.000 2.705 148 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.686 148 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.686 148 G C -0.305 174.539 174.900 -0.095 0.000 1.285 148 G CA -0.083 44.964 45.100 -0.089 0.000 0.800 148 G HN 0.812 nan 8.290 nan 0.000 0.611 149 L N 1.653 122.822 121.223 -0.090 0.000 2.083 149 L HA 0.276 4.615 4.340 -0.000 0.000 0.209 149 L C 3.042 179.874 176.870 -0.063 0.000 1.083 149 L CA 3.311 58.101 54.840 -0.083 0.000 0.752 149 L CB -0.887 41.126 42.059 -0.077 0.000 0.899 149 L HN 1.552 nan 8.230 nan 0.000 0.433 150 A N -0.620 122.169 122.820 -0.053 0.000 1.883 150 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 150 A C 2.303 179.861 177.584 -0.043 0.000 1.186 150 A CA 1.823 53.835 52.037 -0.042 0.000 0.624 150 A CB -0.518 18.460 19.000 -0.036 0.000 0.822 150 A HN 0.366 nan 8.150 nan 0.000 0.444 151 K N -0.369 120.001 120.400 -0.050 0.000 2.155 151 K HA 0.066 4.386 4.320 -0.000 0.000 0.203 151 K C 2.261 178.829 176.600 -0.052 0.000 1.052 151 K CA 1.148 57.405 56.287 -0.051 0.000 0.948 151 K CB -0.679 31.784 32.500 -0.061 0.000 0.728 151 K HN 0.448 nan 8.250 nan 0.000 0.448 152 A N 1.563 124.346 122.820 -0.062 0.000 1.902 152 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 152 A C 2.179 179.738 177.584 -0.043 0.000 1.181 152 A CA 1.465 53.465 52.037 -0.061 0.000 0.623 152 A CB -0.450 18.500 19.000 -0.083 0.000 0.818 152 A HN 0.381 nan 8.150 nan 0.000 0.443 153 Q N -0.828 118.947 119.800 -0.042 0.000 2.030 153 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 153 Q C 2.191 178.179 176.000 -0.021 0.000 0.986 153 Q CA 1.755 57.539 55.803 -0.032 0.000 0.843 153 Q CB -0.238 28.481 28.738 -0.031 0.000 0.904 153 Q HN 0.853 nan 8.270 nan 0.000 0.420 154 E N 0.768 120.955 120.200 -0.022 0.000 2.031 154 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 154 E C 2.032 178.628 176.600 -0.007 0.000 0.994 154 E CA 0.900 57.291 56.400 -0.015 0.000 0.800 154 E CB -0.042 29.647 29.700 -0.018 0.000 0.752 154 E HN 0.304 nan 8.360 nan 0.000 0.447 155 L N 0.493 121.710 121.223 -0.010 0.000 2.083 155 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 155 L C 2.564 179.447 176.870 0.022 0.000 1.083 155 L CA 0.798 55.640 54.840 0.004 0.000 0.752 155 L CB -0.342 41.714 42.059 -0.005 0.000 0.899 155 L HN 0.260 nan 8.230 nan 0.000 0.433 156 L N -0.838 120.394 121.223 0.015 0.000 2.102 156 L HA -0.128 4.212 4.340 -0.000 0.000 0.202 156 L C 2.404 179.291 176.870 0.028 0.000 1.076 156 L CA 0.823 55.682 54.840 0.031 0.000 0.761 156 L CB -0.267 41.797 42.059 0.009 0.000 0.921 156 L HN 0.203 nan 8.230 nan 0.000 0.444 157 L N -0.693 120.536 121.223 0.010 0.000 2.179 157 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 157 L C 2.130 179.007 176.870 0.011 0.000 1.096 157 L CA 0.936 55.781 54.840 0.008 0.000 0.779 157 L CB -0.174 41.884 42.059 -0.003 0.000 0.922 157 L HN 0.260 nan 8.230 nan 0.000 0.443 158 L N -1.842 119.387 121.223 0.011 0.000 2.556 158 L HA 0.120 4.460 4.340 -0.000 0.000 0.226 158 L C 1.252 178.132 176.870 0.016 0.000 1.089 158 L CA -0.085 54.761 54.840 0.010 0.000 0.864 158 L CB 0.184 42.246 42.059 0.005 0.000 1.067 158 L HN 0.191 nan 8.230 nan 0.000 0.477 159 S N 1.099 116.814 115.700 0.025 0.000 3.524 159 S HA -0.083 4.387 4.470 -0.000 0.000 0.377 159 S C -1.872 172.742 174.600 0.024 0.000 0.949 159 S CA -0.422 57.797 58.200 0.031 0.000 1.264 159 S CB -0.897 62.324 63.200 0.034 0.000 0.918 159 S HN 0.242 nan 8.310 nan 0.000 0.517 160 P HA 0.215 nan 4.420 nan 0.000 0.276 160 P C -0.302 177.016 177.300 0.030 0.000 1.252 160 P CA -0.579 62.533 63.100 0.020 0.000 0.802 160 P CB 0.499 32.208 31.700 0.015 0.000 1.035 161 R N 2.393 122.909 120.500 0.028 0.000 2.235 161 R HA 0.328 4.668 4.340 -0.000 0.000 0.338 161 R C -0.334 175.997 176.300 0.051 0.000 1.087 161 R CA -0.461 55.661 56.100 0.037 0.000 0.948 161 R CB -0.525 29.788 30.300 0.021 0.000 1.099 161 R HN 0.460 nan 8.270 nan 0.000 0.483 162 L N 3.952 125.227 121.223 0.086 0.000 2.349 162 L HA 0.206 4.546 4.340 -0.000 0.000 0.275 162 L C 0.826 177.776 176.870 0.133 0.000 1.115 162 L CA -0.420 54.477 54.840 0.095 0.000 0.820 162 L CB 1.442 43.557 42.059 0.093 0.000 1.135 162 L HN 0.748 nan 8.230 nan 0.000 0.445 163 S N 1.920 117.673 115.700 0.088 0.000 2.624 163 S HA 0.322 4.792 4.470 -0.000 0.000 0.263 163 S C 1.126 175.807 174.600 0.134 0.000 1.287 163 S CA -0.167 58.087 58.200 0.089 0.000 0.990 163 S CB 1.495 64.724 63.200 0.047 0.000 0.950 163 S HN 0.688 nan 8.310 nan 0.000 0.561 164 A N 0.231 123.131 122.820 0.134 0.000 1.933 164 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 164 A C 2.144 179.762 177.584 0.058 0.000 1.175 164 A CA 1.677 53.809 52.037 0.157 0.000 0.628 164 A CB -1.148 17.925 19.000 0.122 0.000 0.814 164 A HN 1.004 nan 8.150 nan 0.000 0.444 165 E N -0.128 120.092 120.200 0.034 0.000 2.077 165 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 165 E C 1.887 178.475 176.600 -0.020 0.000 0.989 165 E CA 1.348 57.750 56.400 0.004 0.000 0.800 165 E CB -0.147 29.557 29.700 0.007 0.000 0.746 165 E HN 0.744 nan 8.360 nan 0.000 0.452 166 E N 0.013 120.205 120.200 -0.013 0.000 2.110 166 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 166 E C 1.989 178.535 176.600 -0.091 0.000 0.988 166 E CA 0.866 57.244 56.400 -0.037 0.000 0.804 166 E CB -0.106 29.586 29.700 -0.015 0.000 0.745 166 E HN 0.348 nan 8.360 nan 0.000 0.458 167 A N 1.074 123.819 122.820 -0.124 0.000 1.902 167 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 167 A C 2.138 179.564 177.584 -0.264 0.000 1.181 167 A CA 0.988 52.840 52.037 -0.309 0.000 0.623 167 A CB -0.452 18.215 19.000 -0.555 0.000 0.818 167 A HN 0.234 nan 8.150 nan 0.000 0.443 168 L N -0.281 120.845 121.223 -0.161 0.000 2.093 168 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 168 L C 2.618 179.422 176.870 -0.111 0.000 1.085 168 L CA 2.036 56.800 54.840 -0.128 0.000 0.755 168 L CB -0.781 41.240 42.059 -0.063 0.000 0.904 168 L HN 0.330 nan 8.230 nan 0.000 0.435 169 A N -0.525 122.240 122.820 -0.091 0.000 1.902 169 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 169 A C 2.180 179.710 177.584 -0.090 0.000 1.181 169 A CA 2.031 54.025 52.037 -0.073 0.000 0.623 169 A CB -0.806 18.161 19.000 -0.056 0.000 0.818 169 A HN 0.508 nan 8.150 nan 0.000 0.443 170 L N -2.003 119.146 121.223 -0.124 0.000 2.446 170 L HA 0.207 4.547 4.340 -0.000 0.000 0.219 170 L C 1.755 178.526 176.870 -0.164 0.000 1.116 170 L CA 0.605 55.364 54.840 -0.134 0.000 0.844 170 L CB -0.214 41.755 42.059 -0.149 0.000 0.970 170 L HN 0.597 nan 8.230 nan 0.000 0.457 171 G N -0.214 108.462 108.800 -0.206 0.000 2.159 171 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.227 171 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.227 171 G C 0.826 175.500 174.900 -0.377 0.000 0.986 171 G CA 0.187 45.130 45.100 -0.261 0.000 0.651 171 G HN 0.239 nan 8.290 nan 0.000 0.523 172 L N -0.138 120.848 121.223 -0.396 0.000 2.131 172 L HA 0.152 4.492 4.340 -0.000 0.000 0.210 172 L C 1.577 178.126 176.870 -0.535 0.000 1.092 172 L CA 1.755 56.294 54.840 -0.503 0.000 0.759 172 L CB -0.376 41.252 42.059 -0.718 0.000 0.903 172 L HN 0.559 nan 8.230 nan 0.000 0.435 173 V N -5.939 113.681 119.914 -0.489 0.000 3.040 173 V HA 0.295 4.415 4.120 -0.000 0.000 0.312 173 V C 0.178 176.040 176.094 -0.386 0.000 1.115 173 V CA -0.818 61.259 62.300 -0.371 0.000 0.998 173 V CB 1.630 33.346 31.823 -0.177 0.000 1.042 173 V HN 0.069 nan 8.190 nan 0.000 0.433 174 H N 0.917 119.950 119.070 -0.060 0.000 2.595 174 H HA 0.501 5.057 4.556 -0.000 0.000 0.265 174 H C 0.478 175.790 175.328 -0.027 0.000 0.953 174 H CA 0.251 56.273 56.048 -0.043 0.000 1.197 174 H CB 0.492 30.234 29.762 -0.033 0.000 1.438 174 H HN 0.551 nan 8.280 nan 0.000 0.531 175 R N -0.067 120.477 120.500 0.073 0.000 2.680 175 R HA 0.533 4.873 4.340 -0.000 0.000 0.269 175 R C -1.791 174.530 176.300 0.036 0.000 1.026 175 R CA -0.786 55.345 56.100 0.051 0.000 0.889 175 R CB 2.994 33.330 30.300 0.060 0.000 1.241 175 R HN -0.150 nan 8.270 nan 0.000 0.463 176 V N 2.606 122.538 119.914 0.031 0.000 2.531 176 V HA 0.615 4.735 4.120 -0.000 0.000 0.301 176 V C -0.543 175.570 176.094 0.032 0.000 1.034 176 V CA -0.656 61.665 62.300 0.035 0.000 0.865 176 V CB 1.895 33.735 31.823 0.028 0.000 0.995 176 V HN 0.614 nan 8.190 nan 0.000 0.424 177 V N 3.132 123.067 119.914 0.035 0.000 3.130 177 V HA 0.780 4.900 4.120 -0.000 0.000 0.310 177 V C -2.951 173.160 176.094 0.029 0.000 1.158 177 V CA -3.037 59.281 62.300 0.030 0.000 1.029 177 V CB 2.146 33.988 31.823 0.031 0.000 1.057 177 V HN 0.618 nan 8.190 nan 0.000 0.436 178 P HA 0.175 nan 4.420 nan 0.000 0.265 178 P C 0.853 178.167 177.300 0.024 0.000 1.187 178 P CA 0.924 64.037 63.100 0.022 0.000 0.766 178 P CB 0.754 32.465 31.700 0.019 0.000 0.820 179 A N 4.171 127.005 122.820 0.023 0.000 1.917 179 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 179 A C 1.721 179.320 177.584 0.024 0.000 1.182 179 A CA 1.795 53.847 52.037 0.024 0.000 0.633 179 A CB -0.969 18.044 19.000 0.020 0.000 0.819 179 A HN 0.681 nan 8.150 nan 0.000 0.448 180 E N 0.112 120.325 120.200 0.021 0.000 2.511 180 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 180 E C 1.021 177.634 176.600 0.022 0.000 1.066 180 E CA 0.980 57.392 56.400 0.020 0.000 0.871 180 E CB -0.149 29.561 29.700 0.016 0.000 0.863 180 E HN 0.677 nan 8.360 nan 0.000 0.520 181 K N -0.100 120.314 120.400 0.024 0.000 2.380 181 K HA 0.140 4.460 4.320 -0.000 0.000 0.198 181 K C 1.731 178.349 176.600 0.030 0.000 1.070 181 K CA -0.098 56.204 56.287 0.025 0.000 1.040 181 K CB 0.247 32.761 32.500 0.023 0.000 0.903 181 K HN -0.044 nan 8.250 nan 0.000 0.549 182 L N 1.409 122.652 121.223 0.034 0.000 1.963 182 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 182 L C 1.976 178.872 176.870 0.044 0.000 1.076 182 L CA 1.983 56.848 54.840 0.041 0.000 0.772 182 L CB -0.322 41.765 42.059 0.047 0.000 0.892 182 L HN 0.157 nan 8.230 nan 0.000 0.435 183 M N -0.700 118.926 119.600 0.043 0.000 2.159 183 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 183 M C 2.285 178.608 176.300 0.037 0.000 1.063 183 M CA 1.870 57.196 55.300 0.044 0.000 1.110 183 M CB -1.325 31.300 32.600 0.041 0.000 1.374 183 M HN 0.532 nan 8.290 nan 0.000 0.411 184 E N 0.164 120.383 120.200 0.032 0.000 2.072 184 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 184 E C 1.803 178.420 176.600 0.029 0.000 0.985 184 E CA 1.072 57.489 56.400 0.028 0.000 0.801 184 E CB 0.236 29.951 29.700 0.024 0.000 0.750 184 E HN 0.352 nan 8.360 nan 0.000 0.452 185 E N 0.328 120.546 120.200 0.031 0.000 2.047 185 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 185 E C 2.019 178.638 176.600 0.033 0.000 0.987 185 E CA 1.053 57.472 56.400 0.030 0.000 0.799 185 E CB -0.325 29.393 29.700 0.031 0.000 0.752 185 E HN 0.385 nan 8.360 nan 0.000 0.449 186 A N 1.279 124.122 122.820 0.039 0.000 1.902 186 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 186 A C 2.236 179.843 177.584 0.038 0.000 1.181 186 A CA 1.213 53.276 52.037 0.043 0.000 0.623 186 A CB -0.537 18.496 19.000 0.056 0.000 0.818 186 A HN 0.231 nan 8.150 nan 0.000 0.443 187 L N -0.334 120.912 121.223 0.037 0.000 2.093 187 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 187 L C 2.566 179.454 176.870 0.031 0.000 1.085 187 L CA 2.424 57.285 54.840 0.034 0.000 0.755 187 L CB -0.742 41.336 42.059 0.033 0.000 0.904 187 L HN 0.345 nan 8.230 nan 0.000 0.435 188 S N -0.884 114.834 115.700 0.029 0.000 2.368 188 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 188 S C 2.032 176.648 174.600 0.028 0.000 1.030 188 S CA 1.624 59.841 58.200 0.028 0.000 0.999 188 S CB -0.523 62.692 63.200 0.026 0.000 0.844 188 S HN 0.454 nan 8.310 nan 0.000 0.459 189 L N 1.913 123.150 121.223 0.023 0.000 2.017 189 L HA 0.143 4.483 4.340 -0.000 0.000 0.208 189 L C 2.496 179.372 176.870 0.011 0.000 1.073 189 L CA 2.175 57.023 54.840 0.014 0.000 0.745 189 L CB -1.326 40.736 42.059 0.005 0.000 0.894 189 L HN 0.314 nan 8.230 nan 0.000 0.432 190 A N -0.508 122.322 122.820 0.016 0.000 1.908 190 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 190 A C 2.337 179.940 177.584 0.033 0.000 1.181 190 A CA 2.070 54.118 52.037 0.018 0.000 0.627 190 A CB -0.548 18.469 19.000 0.027 0.000 0.818 190 A HN 0.541 nan 8.150 nan 0.000 0.445 191 K N -0.407 120.015 120.400 0.038 0.000 2.097 191 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 191 K C 1.958 178.596 176.600 0.063 0.000 1.050 191 K CA 1.501 57.817 56.287 0.048 0.000 0.938 191 K CB -0.174 32.351 32.500 0.041 0.000 0.718 191 K HN 0.636 nan 8.250 nan 0.000 0.442 192 E N 0.921 121.156 120.200 0.059 0.000 2.077 192 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 192 E C 2.035 178.705 176.600 0.117 0.000 0.989 192 E CA 0.982 57.430 56.400 0.079 0.000 0.800 192 E CB -0.106 29.631 29.700 0.063 0.000 0.746 192 E HN 0.228 nan 8.360 nan 0.000 0.452 193 L N 0.491 121.765 121.223 0.085 0.000 2.141 193 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 193 L C 2.442 179.439 176.870 0.212 0.000 1.094 193 L CA 0.749 55.658 54.840 0.115 0.000 0.763 193 L CB -0.367 41.646 42.059 -0.077 0.000 0.908 193 L HN 0.122 nan 8.230 nan 0.000 0.437 194 A N -1.072 121.827 122.820 0.132 0.000 2.216 194 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 194 A C 1.976 179.643 177.584 0.138 0.000 1.160 194 A CA 0.963 53.075 52.037 0.125 0.000 0.725 194 A CB -0.126 18.923 19.000 0.081 0.000 0.784 194 A HN 0.396 nan 8.150 nan 0.000 0.472 195 Q N -0.615 119.283 119.800 0.162 0.000 2.247 195 Q HA 0.160 4.500 4.340 -0.000 0.000 0.211 195 Q C 0.952 177.110 176.000 0.264 0.000 0.861 195 Q CA 0.563 56.470 55.803 0.173 0.000 0.949 195 Q CB 0.507 29.328 28.738 0.139 0.000 1.115 195 Q HN 0.543 nan 8.270 nan 0.000 0.507 196 G N 2.332 111.287 108.800 0.258 0.000 2.543 196 G HA2 0.292 4.252 3.960 -0.000 0.000 0.290 196 G HA3 0.292 4.252 3.960 -0.000 0.000 0.290 196 G C -2.375 172.348 174.900 -0.295 0.000 1.310 196 G CA -1.158 44.022 45.100 0.134 0.000 1.025 196 G HN -0.097 nan 8.290 nan 0.000 0.502 197 P HA 0.105 nan 4.420 nan 0.000 0.256 197 P C 0.923 177.727 177.300 -0.828 0.000 1.688 197 P CA 0.046 62.533 63.100 -1.022 0.000 1.162 197 P CB 0.080 30.986 31.700 -1.324 0.000 1.870 198 T N 2.149 116.474 114.554 -0.382 0.000 2.685 198 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 198 T C 1.827 176.467 174.700 -0.100 0.000 1.034 198 T CA 1.304 63.336 62.100 -0.115 0.000 1.149 198 T CB -0.194 68.683 68.868 0.015 0.000 0.860 198 T HN 0.299 nan 8.240 nan 0.000 0.449 199 R N 1.157 121.574 120.500 -0.138 0.000 2.092 199 R HA 0.198 4.538 4.340 -0.000 0.000 0.231 199 R C 2.786 179.022 176.300 -0.107 0.000 1.119 199 R CA 1.285 57.333 56.100 -0.086 0.000 0.970 199 R CB -1.275 28.982 30.300 -0.072 0.000 0.864 199 R HN 0.497 nan 8.270 nan 0.000 0.440 200 A N 0.306 122.990 122.820 -0.226 0.000 1.902 200 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 200 A C 2.107 179.652 177.584 -0.064 0.000 1.181 200 A CA 1.130 53.046 52.037 -0.201 0.000 0.623 200 A CB -0.793 18.001 19.000 -0.343 0.000 0.818 200 A HN 0.389 nan 8.150 nan 0.000 0.443 201 Y N -0.315 119.941 120.300 -0.072 0.000 2.145 201 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 201 Y C 3.043 178.932 175.900 -0.017 0.000 1.145 201 Y CA 0.527 58.602 58.100 -0.042 0.000 1.148 201 Y CB -0.326 38.112 38.460 -0.038 0.000 0.981 201 Y HN 0.379 nan 8.280 nan 0.000 0.507 202 A N 0.510 123.420 122.820 0.150 0.000 1.883 202 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 202 A C 2.178 179.798 177.584 0.060 0.000 1.186 202 A CA 1.673 53.762 52.037 0.087 0.000 0.624 202 A CB -1.088 17.944 19.000 0.053 0.000 0.822 202 A HN 0.478 nan 8.150 nan 0.000 0.444 203 L N -1.015 120.229 121.223 0.035 0.000 2.156 203 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 203 L C 2.694 179.583 176.870 0.032 0.000 1.095 203 L CA 1.539 56.391 54.840 0.021 0.000 0.770 203 L CB -0.901 41.154 42.059 -0.007 0.000 0.914 203 L HN 0.330 nan 8.230 nan 0.000 0.439 204 T N -0.260 114.321 114.554 0.045 0.000 2.746 204 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 204 T C 1.925 176.664 174.700 0.065 0.000 1.039 204 T CA 1.204 63.335 62.100 0.051 0.000 1.142 204 T CB -0.046 68.865 68.868 0.072 0.000 0.866 204 T HN 0.277 nan 8.240 nan 0.000 0.444 205 K N 0.971 121.422 120.400 0.084 0.000 2.097 205 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 205 K C 2.394 179.056 176.600 0.103 0.000 1.049 205 K CA 1.102 57.450 56.287 0.100 0.000 0.933 205 K CB -0.054 32.511 32.500 0.107 0.000 0.717 205 K HN 0.286 nan 8.250 nan 0.000 0.442 206 K N 0.809 121.257 120.400 0.079 0.000 2.057 206 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 206 K C 2.129 178.773 176.600 0.073 0.000 1.049 206 K CA 1.130 57.460 56.287 0.073 0.000 0.931 206 K CB -0.161 32.368 32.500 0.048 0.000 0.714 206 K HN 0.083 nan 8.250 nan 0.000 0.440 207 L N 0.928 122.183 121.223 0.054 0.000 2.017 207 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 207 L C 2.375 179.274 176.870 0.048 0.000 1.073 207 L CA 1.140 56.002 54.840 0.037 0.000 0.745 207 L CB -0.453 41.615 42.059 0.015 0.000 0.894 207 L HN 0.179 nan 8.230 nan 0.000 0.432 208 L N -0.811 120.451 121.223 0.065 0.000 2.083 208 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 208 L C 2.510 179.477 176.870 0.162 0.000 1.083 208 L CA 0.745 55.633 54.840 0.080 0.000 0.752 208 L CB -0.416 41.700 42.059 0.095 0.000 0.899 208 L HN 0.253 nan 8.230 nan 0.000 0.433 209 L N -0.183 121.165 121.223 0.209 0.000 2.265 209 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 209 L C 1.908 178.978 176.870 0.332 0.000 1.117 209 L CA 1.768 56.803 54.840 0.325 0.000 0.782 209 L CB -0.302 41.923 42.059 0.277 0.000 0.914 209 L HN 0.258 nan 8.230 nan 0.000 0.441 210 E N -2.712 117.610 120.200 0.203 0.000 2.526 210 E HA -0.006 4.344 4.350 -0.000 0.000 0.208 210 E C 1.679 178.343 176.600 0.107 0.000 0.997 210 E CA 0.487 56.989 56.400 0.171 0.000 0.961 210 E CB 0.218 29.985 29.700 0.112 0.000 1.030 210 E HN 0.294 nan 8.360 nan 0.000 0.483 211 T N -0.112 114.465 114.554 0.040 0.000 2.759 211 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 211 T C 1.357 175.946 174.700 -0.184 0.000 1.042 211 T CA 1.551 63.576 62.100 -0.125 0.000 1.140 211 T CB -0.164 68.532 68.868 -0.286 0.000 0.864 211 T HN 0.267 nan 8.240 nan 0.000 0.455 212 Y N 1.357 121.659 120.300 0.002 0.000 2.337 212 Y HA 0.115 4.665 4.550 0.000 0.000 0.293 212 Y C 2.589 178.489 175.900 -0.001 0.000 1.123 212 Y CA 1.027 59.114 58.100 -0.021 0.000 1.201 212 Y CB -0.163 38.253 38.460 -0.074 0.000 1.011 212 Y HN 0.305 nan 8.280 nan 0.000 0.545 213 R N 0.214 120.816 120.500 0.171 0.000 2.240 213 R HA 0.123 4.463 4.340 -0.000 0.000 0.203 213 R C 0.077 176.420 176.300 0.072 0.000 1.011 213 R CA 0.269 56.439 56.100 0.117 0.000 1.007 213 R CB -0.447 29.931 30.300 0.130 0.000 0.911 213 R HN 0.197 nan 8.270 nan 0.000 0.468 214 L N 2.475 123.729 121.223 0.052 0.000 2.375 214 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 214 L C 0.544 177.421 176.870 0.013 0.000 1.107 214 L CA -0.836 54.021 54.840 0.028 0.000 0.806 214 L CB 1.508 43.578 42.059 0.018 0.000 1.146 214 L HN 0.199 nan 8.230 nan 0.000 0.447 215 S N 1.263 116.969 115.700 0.010 0.000 2.614 215 S HA 0.133 4.603 4.470 -0.000 0.000 0.265 215 S C 0.783 175.380 174.600 -0.006 0.000 1.303 215 S CA -0.703 57.499 58.200 0.003 0.000 1.000 215 S CB 1.152 64.355 63.200 0.005 0.000 0.935 215 S HN 0.576 nan 8.310 nan 0.000 0.551 216 L N 1.550 122.767 121.223 -0.010 0.000 2.042 216 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 216 L C 2.433 179.295 176.870 -0.013 0.000 1.076 216 L CA 2.354 57.184 54.840 -0.016 0.000 0.749 216 L CB -1.690 40.360 42.059 -0.016 0.000 0.893 216 L HN 0.946 nan 8.230 nan 0.000 0.432 217 T N -0.314 114.236 114.554 -0.008 0.000 2.684 217 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 217 T C 1.683 176.380 174.700 -0.005 0.000 1.036 217 T CA 1.932 64.029 62.100 -0.006 0.000 1.148 217 T CB -0.277 68.589 68.868 -0.003 0.000 0.863 217 T HN 0.515 nan 8.240 nan 0.000 0.436 218 E N 0.953 121.151 120.200 -0.002 0.000 2.110 218 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 218 E C 2.554 179.153 176.600 -0.002 0.000 0.988 218 E CA 0.896 57.297 56.400 0.001 0.000 0.804 218 E CB -0.209 29.495 29.700 0.007 0.000 0.745 218 E HN 0.484 nan 8.360 nan 0.000 0.458 219 A N 1.305 124.120 122.820 -0.008 0.000 1.902 219 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 219 A C 2.197 179.772 177.584 -0.016 0.000 1.181 219 A CA 0.983 53.011 52.037 -0.014 0.000 0.623 219 A CB -0.606 18.378 19.000 -0.028 0.000 0.818 219 A HN 0.126 nan 8.150 nan 0.000 0.443 220 L N -0.820 120.393 121.223 -0.016 0.000 2.083 220 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 220 L C 3.073 179.934 176.870 -0.014 0.000 1.083 220 L CA 0.997 55.827 54.840 -0.017 0.000 0.752 220 L CB -0.562 41.487 42.059 -0.015 0.000 0.899 220 L HN 0.455 nan 8.230 nan 0.000 0.433 221 A N -0.034 122.780 122.820 -0.010 0.000 1.898 221 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 221 A C 2.193 179.772 177.584 -0.008 0.000 1.181 221 A CA 1.481 53.513 52.037 -0.008 0.000 0.620 221 A CB -0.615 18.382 19.000 -0.004 0.000 0.819 221 A HN 0.304 nan 8.150 nan 0.000 0.442 222 L N 0.141 121.360 121.223 -0.006 0.000 2.093 222 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 222 L C 2.154 179.018 176.870 -0.010 0.000 1.085 222 L CA 2.190 57.027 54.840 -0.004 0.000 0.755 222 L CB -0.639 41.421 42.059 0.002 0.000 0.904 222 L HN 0.514 nan 8.230 nan 0.000 0.435 223 E N -0.552 119.639 120.200 -0.015 0.000 2.077 223 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 223 E C 2.169 178.753 176.600 -0.027 0.000 0.989 223 E CA 1.141 57.528 56.400 -0.022 0.000 0.800 223 E CB -0.277 29.409 29.700 -0.025 0.000 0.746 223 E HN 0.649 nan 8.360 nan 0.000 0.452 224 A N 0.910 123.716 122.820 -0.023 0.000 1.877 224 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 224 A C 2.518 180.087 177.584 -0.026 0.000 1.186 224 A CA 1.321 53.342 52.037 -0.026 0.000 0.620 224 A CB -0.751 18.237 19.000 -0.020 0.000 0.822 224 A HN 0.116 nan 8.150 nan 0.000 0.443 225 V N 0.312 120.214 119.914 -0.019 0.000 2.261 225 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 225 V C 2.571 178.652 176.094 -0.022 0.000 1.047 225 V CA 2.073 64.363 62.300 -0.017 0.000 1.015 225 V CB -0.815 31.002 31.823 -0.010 0.000 0.642 225 V HN 0.569 nan 8.190 nan 0.000 0.446 226 L N -0.580 120.630 121.223 -0.022 0.000 2.141 226 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 226 L C 2.574 179.418 176.870 -0.044 0.000 1.094 226 L CA 1.369 56.193 54.840 -0.026 0.000 0.763 226 L CB -0.590 41.458 42.059 -0.018 0.000 0.908 226 L HN 0.353 nan 8.230 nan 0.000 0.437 227 Q N 0.670 120.439 119.800 -0.052 0.000 2.167 227 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 227 Q C 2.125 178.071 176.000 -0.089 0.000 0.970 227 Q CA 1.699 57.454 55.803 -0.081 0.000 0.855 227 Q CB -0.371 28.320 28.738 -0.078 0.000 0.911 227 Q HN 0.391 nan 8.270 nan 0.000 0.438 228 G N -0.120 108.643 108.800 -0.060 0.000 2.418 228 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 228 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 228 G C 1.235 176.107 174.900 -0.047 0.000 1.158 228 G CA 0.807 45.876 45.100 -0.051 0.000 0.771 228 G HN 0.436 nan 8.290 nan 0.000 0.545 229 Q N 0.200 119.975 119.800 -0.041 0.000 2.079 229 Q HA 0.076 4.416 4.340 -0.000 0.000 0.200 229 Q C 3.028 179.002 176.000 -0.044 0.000 0.974 229 Q CA 1.133 56.916 55.803 -0.032 0.000 0.840 229 Q CB -0.262 28.461 28.738 -0.025 0.000 0.898 229 Q HN 0.457 nan 8.270 nan 0.000 0.430 230 A N 1.173 123.951 122.820 -0.070 0.000 1.902 230 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 230 A C 2.326 179.838 177.584 -0.119 0.000 1.181 230 A CA 1.653 53.634 52.037 -0.094 0.000 0.623 230 A CB -1.288 17.638 19.000 -0.124 0.000 0.818 230 A HN 0.482 nan 8.150 nan 0.000 0.443 231 G N -1.136 107.551 108.800 -0.187 0.000 2.470 231 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.220 231 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.220 231 G C 1.449 176.364 174.900 0.025 0.000 1.121 231 G CA 0.899 45.853 45.100 -0.243 0.000 0.766 231 G HN 0.665 nan 8.290 nan 0.000 0.553 232 Q N 0.320 120.127 119.800 0.012 0.000 2.403 232 Q HA 0.061 4.401 4.340 -0.000 0.000 0.203 232 Q C 1.085 177.116 176.000 0.052 0.000 0.932 232 Q CA 0.286 56.114 55.803 0.041 0.000 0.945 232 Q CB 0.253 29.001 28.738 0.016 0.000 1.045 232 Q HN 0.535 nan 8.270 nan 0.000 0.511 233 T N -2.474 112.114 114.554 0.058 0.000 2.860 233 T HA 0.069 4.419 4.350 -0.000 0.000 0.299 233 T C 0.982 175.734 174.700 0.086 0.000 1.045 233 T CA -0.440 61.694 62.100 0.057 0.000 1.071 233 T CB 1.271 70.162 68.868 0.038 0.000 0.985 233 T HN 0.089 nan 8.240 nan 0.000 0.537 234 Q N 0.226 120.067 119.800 0.068 0.000 2.230 234 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 234 Q C 1.550 177.612 176.000 0.103 0.000 0.963 234 Q CA 1.195 57.038 55.803 0.068 0.000 0.866 234 Q CB -0.058 28.710 28.738 0.051 0.000 0.931 234 Q HN 0.698 nan 8.270 nan 0.000 0.452 235 D N -0.105 120.382 120.400 0.144 0.000 2.117 235 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 235 D C 1.719 178.194 176.300 0.291 0.000 0.987 235 D CA 1.232 55.398 54.000 0.276 0.000 0.829 235 D CB -0.227 40.688 40.800 0.192 0.000 0.961 235 D HN 0.304 nan 8.370 nan 0.000 0.460 236 H N 0.977 120.105 119.070 0.096 0.000 2.353 236 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 236 H C 1.896 177.271 175.328 0.078 0.000 1.090 236 H CA 2.097 58.188 56.048 0.073 0.000 1.327 236 H CB -0.037 29.733 29.762 0.014 0.000 1.383 236 H HN 0.196 nan 8.280 nan 0.000 0.508 237 E N -0.373 119.775 120.200 -0.086 0.000 2.051 237 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 237 E C 2.149 178.692 176.600 -0.094 0.000 0.991 237 E CA 1.356 57.668 56.400 -0.147 0.000 0.799 237 E CB -0.041 29.636 29.700 -0.038 0.000 0.748 237 E HN 0.536 nan 8.360 nan 0.000 0.449 238 E N -0.007 120.185 120.200 -0.014 0.000 2.110 238 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 238 E C 1.887 178.462 176.600 -0.042 0.000 0.988 238 E CA 1.678 58.057 56.400 -0.035 0.000 0.804 238 E CB -0.727 28.950 29.700 -0.039 0.000 0.745 238 E HN 0.327 nan 8.360 nan 0.000 0.458 239 G N 0.110 108.957 108.800 0.078 0.000 2.418 239 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 239 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 239 G C 1.699 176.645 174.900 0.077 0.000 1.158 239 G CA 1.112 46.307 45.100 0.158 0.000 0.771 239 G HN 0.256 nan 8.290 nan 0.000 0.545 240 V N 0.650 120.525 119.914 -0.065 0.000 2.307 240 V HA -0.111 4.009 4.120 -0.000 0.000 0.245 240 V C 2.731 178.834 176.094 0.015 0.000 1.045 240 V CA 2.060 64.311 62.300 -0.082 0.000 1.024 240 V CB -0.516 31.165 31.823 -0.236 0.000 0.651 240 V HN 0.408 nan 8.190 nan 0.000 0.449 241 R N 0.604 121.091 120.500 -0.023 0.000 2.080 241 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 241 R C 2.288 178.601 176.300 0.022 0.000 1.137 241 R CA 1.875 57.973 56.100 -0.003 0.000 0.943 241 R CB -0.569 29.714 30.300 -0.030 0.000 0.846 241 R HN 0.453 nan 8.270 nan 0.000 0.431 242 A N 0.195 123.018 122.820 0.004 0.000 1.940 242 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 242 A C 2.010 179.616 177.584 0.037 0.000 1.176 242 A CA 1.317 53.345 52.037 -0.015 0.000 0.631 242 A CB -0.793 18.157 19.000 -0.084 0.000 0.814 242 A HN 0.560 nan 8.150 nan 0.000 0.446 243 F N 0.623 120.546 119.950 -0.044 0.000 2.134 243 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 243 F C 2.378 178.166 175.800 -0.020 0.000 1.097 243 F CA 1.794 59.782 58.000 -0.020 0.000 1.264 243 F CB -0.137 38.861 39.000 -0.003 0.000 1.001 243 F HN 0.133 nan 8.300 nan 0.000 0.479 244 R N 0.130 120.791 120.500 0.268 0.000 2.075 244 R HA -0.054 4.286 4.340 -0.000 0.000 0.226 244 R C 1.662 177.986 176.300 0.040 0.000 1.114 244 R CA 1.412 57.610 56.100 0.164 0.000 0.972 244 R CB -0.506 29.867 30.300 0.122 0.000 0.869 244 R HN 0.349 nan 8.270 nan 0.000 0.437 245 E N 1.223 121.432 120.200 0.015 0.000 2.485 245 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 245 E C -0.022 176.550 176.600 -0.047 0.000 1.098 245 E CA 0.344 56.735 56.400 -0.016 0.000 0.878 245 E CB 0.067 29.756 29.700 -0.019 0.000 0.939 245 E HN 0.286 nan 8.360 nan 0.000 0.503 246 K N 1.428 121.780 120.400 -0.080 0.000 3.730 246 K HA -0.257 4.063 4.320 -0.000 0.000 0.276 246 K C -0.176 176.364 176.600 -0.100 0.000 0.904 246 K CA 1.831 58.043 56.287 -0.125 0.000 0.741 246 K CB -2.416 30.023 32.500 -0.103 0.000 1.542 246 K HN 0.586 nan 8.250 nan 0.000 0.446 247 R N -1.883 118.558 120.500 -0.098 0.000 2.710 247 R HA 0.741 5.081 4.340 -0.000 0.000 0.270 247 R C -3.146 173.100 176.300 -0.090 0.000 1.021 247 R CA -1.939 54.112 56.100 -0.082 0.000 0.889 247 R CB 1.190 31.450 30.300 -0.067 0.000 1.243 247 R HN 0.050 nan 8.270 nan 0.000 0.464 248 P HA 0.138 nan 4.420 nan 0.000 0.267 248 P C -2.292 174.915 177.300 -0.155 0.000 1.205 248 P CA -0.770 62.274 63.100 -0.094 0.000 0.765 248 P CB 0.324 31.983 31.700 -0.068 0.000 0.828 249 P HA 0.188 nan 4.420 nan 0.000 0.274 249 P C -0.646 176.324 177.300 -0.550 0.000 1.231 249 P CA -0.186 62.628 63.100 -0.477 0.000 0.790 249 P CB 1.124 32.362 31.700 -0.770 0.000 0.951 250 R N 2.417 122.622 120.500 -0.490 0.000 2.396 250 R HA 0.371 4.711 4.340 -0.000 0.000 0.292 250 R C -0.251 175.896 176.300 -0.255 0.000 1.240 250 R CA -0.464 55.459 56.100 -0.296 0.000 1.270 250 R CB 0.101 30.315 30.300 -0.144 0.000 1.108 250 R HN 0.431 nan 8.270 nan 0.000 0.573 251 F N 1.174 121.124 119.950 -0.000 0.000 2.418 251 F HA 0.068 4.595 4.527 -0.000 0.000 0.341 251 F C 1.687 177.485 175.800 -0.004 0.000 1.120 251 F CA -0.125 57.869 58.000 -0.010 0.000 1.232 251 F CB 0.938 39.920 39.000 -0.029 0.000 1.175 251 F HN 0.231 nan 8.300 nan 0.000 0.569 252 Q N 1.501 121.423 119.800 0.204 0.000 2.185 252 Q HA 0.200 4.540 4.340 -0.000 0.000 0.234 252 Q C 1.170 177.219 176.000 0.082 0.000 0.819 252 Q CA 0.653 56.522 55.803 0.110 0.000 0.961 252 Q CB 1.332 30.114 28.738 0.073 0.000 1.140 252 Q HN 1.057 nan 8.270 nan 0.000 0.492 253 G N 2.496 111.339 108.800 0.071 0.000 2.165 253 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 253 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 253 G C 0.062 174.969 174.900 0.012 0.000 1.035 253 G CA 0.502 45.613 45.100 0.018 0.000 0.744 253 G HN 0.356 nan 8.290 nan 0.000 0.501 254 R N 0.000 120.514 120.500 0.023 0.000 2.786 254 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 254 R CA 0.000 56.112 56.100 0.020 0.000 0.921 254 R CB 0.000 30.314 30.300 0.024 0.000 0.687 254 R HN 0.000 nan 8.270 nan 0.000 0.535