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 2clp_1_C DATA FIRST_RESID 38 DATA SEQUENCE RPATVLGAME MGRRMDAPTS AAVTRAFLER GHTEIDTAFV YSEGQSETIL DATA SEQUENCE GGLGLRLGGS DCRVKIDTKA IPLFGNSLKP DSLRFQLETS LKRLQCPRVD DATA SEQUENCE LFYLHMPDHS TPVEETLRAC HQLHQEGKFV ELGLSNYAAW EVAEICTLCK DATA SEQUENCE SNGWILPTVY QGMYNAITRQ VETELFPCLR HFGLRFYAFN PLAGGLLTGK DATA SEQUENCE YKYEDKDGKQ PVGRFFGNTW AEMYRNRYWK EHHFEGIALV EKALQAAYGA DATA SEQUENCE SAPSMTSATL RWMYHHSQLQ GAHGDAVILG MSSLEQLEQN LAAAEEGPLE DATA SEQUENCE PAVVDAFNQA WHLVAHECPN YFR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.325 176.300 0.042 0.000 0.893 38 R CA 0.000 56.102 56.100 0.004 0.000 0.921 38 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 39 P HA 0.314 nan 4.420 nan 0.000 0.268 39 P C -0.519 176.869 177.300 0.147 0.000 1.204 39 P CA 0.177 63.320 63.100 0.070 0.000 0.768 39 P CB 1.029 32.724 31.700 -0.009 0.000 0.842 40 A N 3.386 126.262 122.820 0.093 0.000 2.366 40 A HA 0.434 4.754 4.320 -0.000 0.000 0.250 40 A C 0.258 177.901 177.584 0.098 0.000 1.099 40 A CA 0.200 52.297 52.037 0.101 0.000 0.794 40 A CB -0.197 18.828 19.000 0.042 0.000 1.056 40 A HN 0.552 nan 8.150 nan 0.000 0.499 41 T N 0.561 115.168 114.554 0.089 0.000 2.841 41 T HA 0.535 4.885 4.350 -0.000 0.000 0.285 41 T C -0.696 174.047 174.700 0.072 0.000 0.991 41 T CA -0.310 61.800 62.100 0.017 0.000 0.966 41 T CB 1.180 69.896 68.868 -0.254 0.000 0.962 41 T HN 0.506 nan 8.240 nan 0.000 0.438 42 V N 3.620 123.557 119.914 0.038 0.000 2.628 42 V HA 0.520 4.640 4.120 -0.000 0.000 0.306 42 V C -0.397 175.648 176.094 -0.083 0.000 1.045 42 V CA -1.082 61.247 62.300 0.048 0.000 0.905 42 V CB 1.977 33.731 31.823 -0.116 0.000 0.997 42 V HN 0.711 nan 8.190 nan 0.000 0.436 43 L N 3.761 124.740 121.223 -0.406 0.000 2.278 43 L HA 0.654 4.994 4.340 -0.000 0.000 0.287 43 L C 0.791 177.479 176.870 -0.303 0.000 1.072 43 L CA 0.354 54.789 54.840 -0.675 0.000 0.819 43 L CB 0.607 41.833 42.059 -1.389 0.000 1.176 43 L HN 0.787 nan 8.230 nan 0.000 0.435 44 G N 4.436 113.117 108.800 -0.197 0.000 2.394 44 G HA2 0.440 4.399 3.960 -0.000 0.000 0.298 44 G HA3 0.440 4.399 3.960 -0.000 0.000 0.298 44 G C 0.388 175.198 174.900 -0.150 0.000 1.087 44 G CA 0.064 45.086 45.100 -0.131 0.000 1.035 44 G HN 1.021 nan 8.290 nan 0.000 0.420 45 A N 3.489 126.239 122.820 -0.117 0.000 2.532 45 A HA 0.269 4.589 4.320 -0.000 0.000 0.273 45 A C 1.623 179.126 177.584 -0.136 0.000 1.342 45 A CA -0.073 51.908 52.037 -0.093 0.000 0.929 45 A CB -0.158 18.827 19.000 -0.024 0.000 1.051 45 A HN 0.732 nan 8.150 nan 0.000 0.521 46 M N -1.041 118.362 119.600 -0.328 0.000 2.200 46 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 46 M C 1.516 177.613 176.300 -0.339 0.000 1.066 46 M CA 1.683 56.592 55.300 -0.651 0.000 1.127 46 M CB 0.157 32.220 32.600 -0.895 0.000 1.379 46 M HN 0.350 nan 8.290 nan 0.000 0.420 47 E N 0.112 120.182 120.200 -0.216 0.000 2.502 47 E HA 0.125 4.475 4.350 -0.000 0.000 0.194 47 E C -0.191 176.362 176.600 -0.077 0.000 1.062 47 E CA 0.124 56.446 56.400 -0.130 0.000 0.867 47 E CB -0.075 29.564 29.700 -0.101 0.000 0.888 47 E HN 0.464 nan 8.360 nan 0.000 0.510 48 M N -0.343 119.214 119.600 -0.071 0.000 2.227 48 M HA 0.182 4.661 4.480 -0.000 0.000 0.349 48 M C 1.067 177.354 176.300 -0.020 0.000 1.443 48 M CA 0.874 56.153 55.300 -0.036 0.000 1.110 48 M CB 0.731 33.315 32.600 -0.027 0.000 1.773 48 M HN 0.294 nan 8.290 nan 0.000 0.463 49 G N 2.459 111.250 108.800 -0.014 0.000 2.258 49 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.233 49 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.233 49 G C 0.798 175.693 174.900 -0.010 0.000 1.006 49 G CA 0.572 45.667 45.100 -0.009 0.000 0.620 49 G HN 0.668 nan 8.290 nan 0.000 0.511 50 R N -0.014 120.477 120.500 -0.015 0.000 1.950 50 R HA 0.460 4.800 4.340 -0.000 0.000 0.200 50 R C 2.413 178.708 176.300 -0.008 0.000 1.476 50 R CA 0.680 56.774 56.100 -0.010 0.000 1.145 50 R CB -0.123 30.166 30.300 -0.018 0.000 0.942 50 R HN 0.193 nan 8.270 nan 0.000 0.484 51 R N -0.536 119.955 120.500 -0.014 0.000 2.161 51 R HA 0.233 4.573 4.340 -0.000 0.000 0.213 51 R C 0.053 176.351 176.300 -0.003 0.000 1.055 51 R CA 0.662 56.759 56.100 -0.004 0.000 0.996 51 R CB 0.268 30.565 30.300 -0.004 0.000 0.901 51 R HN 0.247 nan 8.270 nan 0.000 0.456 52 M N 1.875 121.469 119.600 -0.011 0.000 2.205 52 M HA 0.153 4.633 4.480 -0.000 0.000 0.344 52 M C -0.763 175.535 176.300 -0.005 0.000 1.085 52 M CA -1.056 54.240 55.300 -0.006 0.000 1.001 52 M CB 1.699 34.293 32.600 -0.011 0.000 1.626 52 M HN 0.002 nan 8.290 nan 0.000 0.442 53 D N 2.619 123.019 120.400 0.000 0.000 2.393 53 D HA 0.229 4.869 4.640 -0.000 0.000 0.246 53 D C 1.010 177.311 176.300 0.002 0.000 1.275 53 D CA -0.320 53.680 54.000 0.001 0.000 0.979 53 D CB 0.370 41.172 40.800 0.003 0.000 1.101 53 D HN 0.600 nan 8.370 nan 0.000 0.505 54 A N -0.067 122.755 122.820 0.004 0.000 1.865 54 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 54 A C -0.285 177.305 177.584 0.009 0.000 1.191 54 A CA 1.927 53.968 52.037 0.006 0.000 0.623 54 A CB -1.926 17.078 19.000 0.007 0.000 0.826 54 A HN 0.573 nan 8.150 nan 0.000 0.444 55 P HA -0.131 nan 4.420 nan 0.000 0.214 55 P C 1.506 178.814 177.300 0.014 0.000 1.163 55 P CA 2.081 65.189 63.100 0.013 0.000 0.889 55 P CB -0.371 31.336 31.700 0.011 0.000 0.790 56 T N -0.970 113.591 114.554 0.012 0.000 2.788 56 T HA -0.106 4.243 4.350 -0.000 0.000 0.268 56 T C 1.949 176.656 174.700 0.013 0.000 1.044 56 T CA 1.742 63.849 62.100 0.013 0.000 1.139 56 T CB -0.835 68.039 68.868 0.010 0.000 0.867 56 T HN 0.110 nan 8.240 nan 0.000 0.454 57 S N 1.293 116.997 115.700 0.008 0.000 2.371 57 S HA 0.056 4.526 4.470 -0.000 0.000 0.224 57 S C 2.618 177.227 174.600 0.014 0.000 1.029 57 S CA 0.810 59.012 58.200 0.004 0.000 0.978 57 S CB -0.511 62.688 63.200 -0.002 0.000 0.833 57 S HN 0.592 nan 8.310 nan 0.000 0.466 58 A N 1.819 124.650 122.820 0.020 0.000 1.902 58 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 58 A C 2.369 179.975 177.584 0.038 0.000 1.181 58 A CA 1.754 53.809 52.037 0.029 0.000 0.623 58 A CB -1.160 17.855 19.000 0.026 0.000 0.818 58 A HN 0.508 nan 8.150 nan 0.000 0.443 59 A N -0.654 122.186 122.820 0.034 0.000 1.883 59 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 59 A C 2.257 179.873 177.584 0.054 0.000 1.186 59 A CA 1.900 53.961 52.037 0.040 0.000 0.624 59 A CB -1.006 18.014 19.000 0.032 0.000 0.822 59 A HN 0.407 nan 8.150 nan 0.000 0.444 60 V N -0.171 119.772 119.914 0.048 0.000 2.343 60 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 60 V C 2.774 178.928 176.094 0.100 0.000 1.051 60 V CA 2.488 64.824 62.300 0.061 0.000 1.036 60 V CB -1.115 30.724 31.823 0.026 0.000 0.654 60 V HN 0.652 nan 8.190 nan 0.000 0.451 61 T N 0.000 114.601 114.554 0.079 0.000 2.746 61 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 61 T C 2.332 177.139 174.700 0.178 0.000 1.039 61 T CA 2.032 64.206 62.100 0.123 0.000 1.142 61 T CB -0.458 68.457 68.868 0.077 0.000 0.866 61 T HN 0.641 nan 8.240 nan 0.000 0.444 62 R N 1.297 121.867 120.500 0.117 0.000 2.083 62 R HA 0.213 4.553 4.340 -0.000 0.000 0.237 62 R C 2.696 179.061 176.300 0.108 0.000 1.137 62 R CA 1.956 58.115 56.100 0.098 0.000 0.951 62 R CB -1.553 28.786 30.300 0.065 0.000 0.851 62 R HN 0.537 nan 8.270 nan 0.000 0.434 63 A N -0.061 122.830 122.820 0.119 0.000 1.877 63 A HA 0.012 4.331 4.320 -0.000 0.000 0.216 63 A C 2.261 179.942 177.584 0.160 0.000 1.186 63 A CA 1.557 53.663 52.037 0.116 0.000 0.620 63 A CB -0.628 18.438 19.000 0.110 0.000 0.822 63 A HN 0.699 nan 8.150 nan 0.000 0.443 64 F N 0.681 120.672 119.950 0.068 0.000 2.095 64 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 64 F C 1.874 177.753 175.800 0.132 0.000 1.104 64 F CA 1.906 59.970 58.000 0.107 0.000 1.232 64 F CB -0.258 38.788 39.000 0.077 0.000 0.987 64 F HN 0.139 nan 8.300 nan 0.000 0.475 65 L N 0.246 121.535 121.223 0.111 0.000 2.156 65 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 65 L C 2.718 179.543 176.870 -0.076 0.000 1.095 65 L CA 1.331 56.157 54.840 -0.022 0.000 0.770 65 L CB -1.555 40.566 42.059 0.104 0.000 0.914 65 L HN 0.298 nan 8.230 nan 0.000 0.439 66 E N 0.376 120.562 120.200 -0.024 0.000 2.515 66 E HA -0.125 4.224 4.350 -0.000 0.000 0.201 66 E C 1.900 178.451 176.600 -0.082 0.000 1.071 66 E CA 0.562 56.939 56.400 -0.038 0.000 0.880 66 E CB -0.444 29.256 29.700 -0.001 0.000 0.828 66 E HN 0.306 nan 8.360 nan 0.000 0.540 67 R N -1.179 119.238 120.500 -0.137 0.000 2.359 67 R HA 0.245 4.585 4.340 -0.000 0.000 0.231 67 R C 1.532 177.564 176.300 -0.446 0.000 0.913 67 R CA 0.478 56.444 56.100 -0.223 0.000 1.075 67 R CB 0.206 30.426 30.300 -0.133 0.000 1.087 67 R HN 0.596 nan 8.270 nan 0.000 0.515 68 G N 1.062 109.645 108.800 -0.360 0.000 2.176 68 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 68 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 68 G C 0.237 174.885 174.900 -0.419 0.000 0.979 68 G CA 0.112 45.004 45.100 -0.346 0.000 0.641 68 G HN 0.393 nan 8.290 nan 0.000 0.530 69 H N -0.487 118.344 119.070 -0.399 0.000 2.597 69 H HA 0.526 5.082 4.556 -0.000 0.000 0.370 69 H C 1.186 176.319 175.328 -0.324 0.000 1.281 69 H CA 0.966 56.717 56.048 -0.497 0.000 1.422 69 H CB 1.465 30.574 29.762 -1.088 0.000 1.524 69 H HN 0.179 nan 8.280 nan 0.000 0.607 70 T N -0.827 113.782 114.554 0.091 0.000 3.105 70 T HA 0.029 4.378 4.350 -0.000 0.000 0.257 70 T C 0.209 175.087 174.700 0.297 0.000 0.949 70 T CA -0.053 62.151 62.100 0.172 0.000 0.959 70 T CB 0.476 69.408 68.868 0.108 0.000 1.205 70 T HN 0.597 nan 8.240 nan 0.000 0.496 71 E N 0.743 121.160 120.200 0.363 0.000 2.207 71 E HA 0.621 4.971 4.350 -0.000 0.000 0.270 71 E C -1.324 175.396 176.600 0.201 0.000 0.927 71 E CA -0.689 55.865 56.400 0.257 0.000 0.799 71 E CB 1.322 31.140 29.700 0.197 0.000 1.172 71 E HN 0.383 nan 8.360 nan 0.000 0.404 72 I N 2.686 123.322 120.570 0.109 0.000 2.545 72 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 72 I C -0.984 175.165 176.117 0.053 0.000 1.040 72 I CA -0.871 60.425 61.300 -0.006 0.000 1.068 72 I CB 2.073 40.061 38.000 -0.020 0.000 1.251 72 I HN 0.537 nan 8.210 nan 0.000 0.424 73 D N 3.976 124.390 120.400 0.023 0.000 2.349 73 D HA 0.472 5.112 4.640 -0.000 0.000 0.232 73 D C -0.530 175.829 176.300 0.099 0.000 1.071 73 D CA 0.028 54.078 54.000 0.083 0.000 0.832 73 D CB 1.472 42.312 40.800 0.067 0.000 1.086 73 D HN 0.518 nan 8.370 nan 0.000 0.504 74 T N 1.750 116.383 114.554 0.131 0.000 2.693 74 T HA 0.888 5.238 4.350 -0.000 0.000 0.278 74 T C -1.656 173.049 174.700 0.009 0.000 0.994 74 T CA -0.353 61.869 62.100 0.203 0.000 1.033 74 T CB 1.149 70.104 68.868 0.145 0.000 1.342 74 T HN 0.526 nan 8.240 nan 0.000 0.538 75 A N 0.050 122.763 122.820 -0.178 0.000 2.605 75 A HA 0.593 4.913 4.320 -0.000 0.000 0.294 75 A C 0.013 177.486 177.584 -0.184 0.000 1.062 75 A CA -0.562 51.215 52.037 -0.433 0.000 0.682 75 A CB 0.405 18.657 19.000 -1.247 0.000 1.278 75 A HN 0.863 nan 8.150 nan 0.000 0.410 76 F N 1.832 121.701 119.950 -0.136 0.000 2.147 76 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 76 F C 1.581 177.353 175.800 -0.047 0.000 1.084 76 F CA 2.979 60.957 58.000 -0.036 0.000 1.268 76 F CB 0.229 39.246 39.000 0.029 0.000 1.009 76 F HN 0.329 nan 8.300 nan 0.000 0.486 77 V N -0.417 119.427 119.914 -0.116 0.000 3.354 77 V HA 0.012 4.131 4.120 -0.000 0.000 0.258 77 V C 0.288 176.346 176.094 -0.060 0.000 1.159 77 V CA -0.020 62.198 62.300 -0.137 0.000 1.125 77 V CB -0.632 31.235 31.823 0.074 0.000 0.774 77 V HN 0.174 nan 8.190 nan 0.000 0.464 78 Y N 1.568 121.833 120.300 -0.057 0.000 2.620 78 Y HA 0.099 4.649 4.550 -0.000 0.000 0.330 78 Y C 1.473 177.324 175.900 -0.082 0.000 1.186 78 Y CA 0.294 58.356 58.100 -0.064 0.000 1.467 78 Y CB 0.357 38.787 38.460 -0.050 0.000 1.262 78 Y HN 0.463 nan 8.280 nan 0.000 0.550 79 S N 0.912 116.674 115.700 0.103 0.000 3.378 79 S HA -0.310 4.160 4.470 -0.000 0.000 0.365 79 S C 0.393 174.978 174.600 -0.025 0.000 0.951 79 S CA 0.640 58.856 58.200 0.027 0.000 1.274 79 S CB -2.327 60.880 63.200 0.012 0.000 0.915 79 S HN 1.360 nan 8.310 nan 0.000 0.513 80 E N -0.762 119.399 120.200 -0.064 0.000 2.604 80 E HA 0.002 4.352 4.350 -0.000 0.000 0.255 80 E C 1.573 178.067 176.600 -0.177 0.000 1.164 80 E CA 1.767 58.083 56.400 -0.140 0.000 0.737 80 E CB -2.532 27.104 29.700 -0.106 0.000 1.317 80 E HN 2.806 nan 8.360 nan 0.000 0.417 81 G N -3.906 104.786 108.800 -0.180 0.000 2.175 81 G HA2 0.013 3.973 3.960 -0.000 0.000 0.244 81 G HA3 0.013 3.973 3.960 -0.000 0.000 0.244 81 G C 1.336 176.190 174.900 -0.077 0.000 0.982 81 G CA 1.496 46.488 45.100 -0.179 0.000 0.641 81 G HN 2.101 nan 8.290 nan 0.000 0.527 82 Q N 0.157 119.929 119.800 -0.047 0.000 2.230 82 Q HA 0.277 4.617 4.340 -0.000 0.000 0.202 82 Q C 2.719 178.719 176.000 -0.001 0.000 0.963 82 Q CA 2.408 58.198 55.803 -0.021 0.000 0.866 82 Q CB -0.626 28.101 28.738 -0.018 0.000 0.931 82 Q HN 1.378 nan 8.270 nan 0.000 0.452 83 S N 0.292 116.001 115.700 0.016 0.000 2.344 83 S HA -0.223 4.246 4.470 -0.000 0.000 0.217 83 S C 1.969 176.592 174.600 0.038 0.000 1.033 83 S CA 1.650 59.874 58.200 0.039 0.000 1.017 83 S CB -0.275 62.986 63.200 0.101 0.000 0.941 83 S HN 0.769 nan 8.310 nan 0.000 0.430 84 E N -0.202 120.022 120.200 0.039 0.000 2.118 84 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 84 E C 2.147 178.765 176.600 0.030 0.000 0.992 84 E CA 1.712 58.137 56.400 0.041 0.000 0.804 84 E CB -0.337 29.389 29.700 0.043 0.000 0.741 84 E HN 0.600 nan 8.360 nan 0.000 0.458 85 T N 1.137 115.700 114.554 0.016 0.000 2.821 85 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 85 T C 1.982 176.692 174.700 0.016 0.000 1.046 85 T CA 0.663 62.771 62.100 0.013 0.000 1.139 85 T CB -0.109 68.760 68.868 0.002 0.000 0.871 85 T HN 0.104 nan 8.240 nan 0.000 0.454 86 I N 0.893 121.471 120.570 0.014 0.000 2.113 86 I HA -0.159 4.011 4.170 -0.000 0.000 0.238 86 I C 2.325 178.454 176.117 0.020 0.000 1.070 86 I CA 1.361 62.669 61.300 0.014 0.000 1.332 86 I CB -0.405 37.601 38.000 0.010 0.000 1.044 86 I HN 0.187 nan 8.210 nan 0.000 0.402 87 L N 0.345 121.582 121.223 0.024 0.000 2.042 87 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 87 L C 2.630 179.520 176.870 0.034 0.000 1.076 87 L CA 1.634 56.492 54.840 0.030 0.000 0.749 87 L CB -1.261 40.820 42.059 0.035 0.000 0.893 87 L HN 0.358 nan 8.230 nan 0.000 0.432 88 G N -0.551 108.269 108.800 0.033 0.000 2.470 88 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 88 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 88 G C 1.313 176.230 174.900 0.027 0.000 1.121 88 G CA 0.691 45.810 45.100 0.032 0.000 0.766 88 G HN 0.510 nan 8.290 nan 0.000 0.553 89 G N -0.131 108.683 108.800 0.024 0.000 3.434 89 G HA2 0.345 4.305 3.960 -0.000 0.000 0.258 89 G HA3 0.345 4.305 3.960 -0.000 0.000 0.258 89 G C 1.003 175.917 174.900 0.022 0.000 1.128 89 G CA -0.376 44.737 45.100 0.021 0.000 0.792 89 G HN 0.373 nan 8.290 nan 0.000 0.539 90 L N 0.429 121.668 121.223 0.027 0.000 2.628 90 L HA 0.244 4.584 4.340 -0.000 0.000 0.229 90 L C 1.783 178.672 176.870 0.031 0.000 1.137 90 L CA 0.190 55.048 54.840 0.030 0.000 0.909 90 L CB 0.152 42.233 42.059 0.035 0.000 1.137 90 L HN 0.275 nan 8.230 nan 0.000 0.470 91 G N 1.025 109.842 108.800 0.028 0.000 2.341 91 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.292 91 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.292 91 G C 0.618 175.536 174.900 0.031 0.000 1.021 91 G CA 0.231 45.347 45.100 0.027 0.000 0.905 91 G HN 0.414 nan 8.290 nan 0.000 0.508 92 L N -0.896 120.349 121.223 0.036 0.000 2.612 92 L HA 0.297 4.637 4.340 -0.000 0.000 0.230 92 L C 2.210 179.103 176.870 0.039 0.000 1.140 92 L CA 0.382 55.248 54.840 0.042 0.000 0.896 92 L CB -0.408 41.683 42.059 0.053 0.000 1.065 92 L HN 0.762 nan 8.230 nan 0.000 0.447 93 R N 0.677 121.196 120.500 0.032 0.000 3.301 93 R HA -0.198 4.142 4.340 -0.000 0.000 0.249 93 R C 0.176 176.495 176.300 0.032 0.000 0.964 93 R CA 1.069 57.186 56.100 0.028 0.000 0.653 93 R CB -3.367 26.947 30.300 0.024 0.000 1.043 93 R HN 0.380 nan 8.270 nan 0.000 0.454 94 L N -0.417 120.829 121.223 0.037 0.000 2.499 94 L HA 0.347 4.687 4.340 -0.000 0.000 0.281 94 L C 2.185 179.078 176.870 0.038 0.000 1.234 94 L CA 1.387 56.254 54.840 0.044 0.000 0.839 94 L CB 0.464 42.553 42.059 0.050 0.000 1.104 94 L HN 1.020 nan 8.230 nan 0.000 0.500 95 G N 1.513 110.339 108.800 0.043 0.000 2.220 95 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.269 95 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.269 95 G C 0.603 175.516 174.900 0.023 0.000 0.977 95 G CA 0.196 45.317 45.100 0.035 0.000 0.634 95 G HN 1.052 nan 8.290 nan 0.000 0.539 96 G N -0.550 108.263 108.800 0.022 0.000 2.616 96 G HA2 0.537 4.496 3.960 -0.000 0.000 0.268 96 G HA3 0.537 4.496 3.960 -0.000 0.000 0.268 96 G C 1.133 176.042 174.900 0.017 0.000 1.213 96 G CA 0.899 46.008 45.100 0.015 0.000 0.926 96 G HN 0.719 nan 8.290 nan 0.000 0.523 97 S N -0.591 115.116 115.700 0.011 0.000 2.377 97 S HA 0.049 4.519 4.470 -0.000 0.000 0.223 97 S C 1.609 176.217 174.600 0.015 0.000 1.030 97 S CA 1.006 59.212 58.200 0.011 0.000 0.970 97 S CB -0.389 62.814 63.200 0.005 0.000 0.830 97 S HN 0.901 nan 8.310 nan 0.000 0.473 98 D N 0.888 121.296 120.400 0.013 0.000 2.662 98 D HA 0.436 5.076 4.640 -0.000 0.000 0.228 98 D C -0.329 175.983 176.300 0.020 0.000 1.093 98 D CA 0.004 54.013 54.000 0.015 0.000 1.075 98 D CB -0.876 39.931 40.800 0.012 0.000 1.122 98 D HN 0.452 nan 8.370 nan 0.000 0.475 99 C N 0.380 119.695 119.300 0.025 0.000 2.817 99 C HA 0.729 5.189 4.460 -0.000 0.000 0.385 99 C C 1.439 176.453 174.990 0.039 0.000 1.050 99 C CA 0.286 59.324 59.018 0.033 0.000 1.245 99 C CB 0.533 28.295 27.740 0.037 0.000 1.706 99 C HN 0.721 nan 8.230 nan 0.000 0.488 100 R N 2.903 123.428 120.500 0.041 0.000 2.127 100 R HA 0.348 4.687 4.340 -0.000 0.000 0.217 100 R C 0.632 176.970 176.300 0.064 0.000 1.074 100 R CA 1.685 57.812 56.100 0.045 0.000 0.991 100 R CB -0.666 29.655 30.300 0.035 0.000 0.895 100 R HN 0.773 nan 8.270 nan 0.000 0.450 101 V N 2.179 122.139 119.914 0.076 0.000 2.583 101 V HA 0.235 4.355 4.120 -0.000 0.000 0.287 101 V C -0.108 176.047 176.094 0.103 0.000 1.051 101 V CA -0.638 61.725 62.300 0.105 0.000 1.010 101 V CB 1.586 33.477 31.823 0.114 0.000 0.988 101 V HN 0.391 nan 8.190 nan 0.000 0.478 102 K N 4.301 124.775 120.400 0.124 0.000 2.159 102 K HA 0.627 4.946 4.320 -0.000 0.000 0.266 102 K C -0.609 176.069 176.600 0.129 0.000 0.975 102 K CA -0.587 55.773 56.287 0.121 0.000 0.865 102 K CB 2.013 34.593 32.500 0.132 0.000 1.087 102 K HN 0.559 nan 8.250 nan 0.000 0.446 103 I N 1.780 122.421 120.570 0.118 0.000 2.509 103 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 103 I C -1.335 174.862 176.117 0.132 0.000 1.020 103 I CA -0.805 60.565 61.300 0.117 0.000 1.088 103 I CB 1.901 39.960 38.000 0.098 0.000 1.267 103 I HN 0.612 nan 8.210 nan 0.000 0.430 104 D N 4.668 125.159 120.400 0.151 0.000 2.505 104 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 104 D C -0.537 175.872 176.300 0.182 0.000 1.082 104 D CA -0.172 53.942 54.000 0.189 0.000 0.839 104 D CB 2.050 43.030 40.800 0.301 0.000 1.317 104 D HN 0.504 nan 8.370 nan 0.000 0.497 105 T N 0.412 115.085 114.554 0.199 0.000 2.778 105 T HA 0.711 5.061 4.350 -0.000 0.000 0.293 105 T C -1.520 173.272 174.700 0.153 0.000 1.144 105 T CA -0.687 61.512 62.100 0.164 0.000 1.010 105 T CB 1.213 70.189 68.868 0.180 0.000 1.325 105 T HN 0.297 nan 8.240 nan 0.000 0.515 106 K N 0.308 120.734 120.400 0.042 0.000 2.512 106 K HA 0.796 5.115 4.320 -0.000 0.000 0.263 106 K C -1.535 175.069 176.600 0.007 0.000 0.966 106 K CA -1.181 55.034 56.287 -0.120 0.000 0.851 106 K CB 2.242 34.532 32.500 -0.349 0.000 1.395 106 K HN 0.629 nan 8.250 nan 0.000 0.440 107 A N 2.264 125.009 122.820 -0.124 0.000 2.343 107 A HA 0.730 5.050 4.320 -0.000 0.000 0.316 107 A C -0.349 177.224 177.584 -0.018 0.000 1.104 107 A CA -0.891 51.124 52.037 -0.037 0.000 0.768 107 A CB 0.386 19.378 19.000 -0.012 0.000 1.213 107 A HN 0.769 nan 8.150 nan 0.000 0.456 108 I N 0.183 120.759 120.570 0.010 0.000 2.750 108 I HA 0.720 4.890 4.170 -0.000 0.000 0.308 108 I C -2.411 173.666 176.117 -0.067 0.000 1.016 108 I CA -2.785 58.489 61.300 -0.044 0.000 1.098 108 I CB 2.761 40.694 38.000 -0.111 0.000 1.279 108 I HN 0.328 nan 8.210 nan 0.000 0.454 109 P HA 0.372 nan 4.420 nan 0.000 0.257 109 P C -0.516 176.663 177.300 -0.202 0.000 1.737 109 P CA -0.007 63.016 63.100 -0.128 0.000 1.130 109 P CB 0.321 31.938 31.700 -0.139 0.000 1.572 110 L N -0.467 120.572 121.223 -0.306 0.000 2.365 110 L HA 0.476 4.816 4.340 -0.000 0.000 0.267 110 L C 0.886 177.443 176.870 -0.521 0.000 1.033 110 L CA -0.827 53.611 54.840 -0.671 0.000 0.802 110 L CB 0.213 41.465 42.059 -1.345 0.000 1.267 110 L HN 0.026 nan 8.230 nan 0.000 0.457 111 F N -0.614 119.351 119.950 0.026 0.000 2.183 111 F HA -0.302 4.225 4.527 -0.000 0.000 0.318 111 F C 1.635 177.446 175.800 0.017 0.000 0.130 111 F CA 0.741 58.759 58.000 0.031 0.000 0.912 111 F CB -1.628 37.406 39.000 0.056 0.000 4.135 111 F HN 0.612 nan 8.300 nan 0.000 0.137 112 G N 0.743 109.683 108.800 0.235 0.000 2.501 112 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 112 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 112 G C 0.341 175.282 174.900 0.067 0.000 1.114 112 G CA 0.986 46.149 45.100 0.106 0.000 0.757 112 G HN 0.499 nan 8.290 nan 0.000 0.559 113 N N 0.359 119.116 118.700 0.095 0.000 2.515 113 N HA 0.377 5.117 4.740 -0.000 0.000 0.279 113 N C -0.017 175.492 175.510 -0.002 0.000 1.164 113 N CA 0.196 53.274 53.050 0.046 0.000 0.982 113 N CB 1.659 40.193 38.487 0.079 0.000 1.170 113 N HN 0.304 nan 8.380 nan 0.000 0.474 114 S N -0.290 115.405 115.700 -0.009 0.000 2.745 114 S HA 0.505 4.975 4.470 -0.000 0.000 0.306 114 S C 0.255 174.841 174.600 -0.022 0.000 1.137 114 S CA -0.836 57.351 58.200 -0.021 0.000 0.900 114 S CB 0.978 64.175 63.200 -0.006 0.000 1.176 114 S HN 0.433 nan 8.310 nan 0.000 0.520 115 L N 0.277 121.485 121.223 -0.025 0.000 2.818 115 L HA 0.332 4.672 4.340 -0.000 0.000 0.243 115 L C 0.422 177.289 176.870 -0.004 0.000 1.185 115 L CA -0.210 54.620 54.840 -0.017 0.000 0.988 115 L CB -0.291 41.753 42.059 -0.025 0.000 1.292 115 L HN 0.554 nan 8.230 nan 0.000 0.519 116 K N 0.824 121.226 120.400 0.004 0.000 2.276 116 K HA 0.068 4.388 4.320 -0.000 0.000 0.259 116 K C -1.406 175.201 176.600 0.012 0.000 1.001 116 K CA -1.421 54.871 56.287 0.009 0.000 0.927 116 K CB 0.533 33.044 32.500 0.018 0.000 0.969 116 K HN -0.234 nan 8.250 nan 0.000 0.490 117 P HA -0.216 nan 4.420 nan 0.000 0.216 117 P C 0.324 177.620 177.300 -0.007 0.000 1.157 117 P CA 1.458 64.550 63.100 -0.013 0.000 0.880 117 P CB 0.202 31.887 31.700 -0.026 0.000 0.791 118 D N -1.368 119.044 120.400 0.020 0.000 2.084 118 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 118 D C 2.190 178.585 176.300 0.159 0.000 0.990 118 D CA 1.437 55.466 54.000 0.048 0.000 0.826 118 D CB -1.050 39.822 40.800 0.121 0.000 0.971 118 D HN 0.039 nan 8.370 nan 0.000 0.453 119 S N -0.418 115.392 115.700 0.183 0.000 2.368 119 S HA -0.099 4.370 4.470 -0.000 0.000 0.225 119 S C 2.057 176.716 174.600 0.098 0.000 1.030 119 S CA 0.587 58.901 58.200 0.191 0.000 0.999 119 S CB -0.444 62.800 63.200 0.073 0.000 0.844 119 S HN 0.231 nan 8.310 nan 0.000 0.459 120 L N 1.138 122.390 121.223 0.049 0.000 2.013 120 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 120 L C 2.844 179.725 176.870 0.018 0.000 1.073 120 L CA 1.991 56.859 54.840 0.047 0.000 0.753 120 L CB -0.376 41.717 42.059 0.058 0.000 0.890 120 L HN 0.374 nan 8.230 nan 0.000 0.432 121 R N -0.756 119.718 120.500 -0.043 0.000 2.070 121 R HA -0.218 4.122 4.340 -0.000 0.000 0.233 121 R C 2.351 178.576 176.300 -0.124 0.000 1.137 121 R CA 2.021 58.039 56.100 -0.136 0.000 0.945 121 R CB -0.564 29.594 30.300 -0.237 0.000 0.845 121 R HN 0.228 nan 8.270 nan 0.000 0.430 122 F N 1.284 121.188 119.950 -0.076 0.000 2.115 122 F HA -0.322 4.205 4.527 -0.000 0.000 0.300 122 F C 2.728 178.451 175.800 -0.128 0.000 1.092 122 F CA 1.894 59.849 58.000 -0.073 0.000 1.245 122 F CB -0.172 38.791 39.000 -0.063 0.000 0.995 122 F HN 0.238 nan 8.300 nan 0.000 0.481 123 Q N -0.610 119.146 119.800 -0.073 0.000 2.046 123 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 123 Q C 2.199 178.134 176.000 -0.109 0.000 0.975 123 Q CA 1.363 56.898 55.803 -0.446 0.000 0.836 123 Q CB -0.443 27.892 28.738 -0.672 0.000 0.896 123 Q HN 0.363 nan 8.270 nan 0.000 0.428 124 L N 1.386 122.574 121.223 -0.058 0.000 2.027 124 L HA -0.144 4.195 4.340 -0.000 0.000 0.206 124 L C 1.892 178.735 176.870 -0.045 0.000 1.074 124 L CA 1.827 56.608 54.840 -0.098 0.000 0.745 124 L CB -0.423 41.405 42.059 -0.385 0.000 0.898 124 L HN 0.138 nan 8.230 nan 0.000 0.433 125 E N -1.155 119.016 120.200 -0.047 0.000 2.118 125 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 125 E C 1.899 178.532 176.600 0.056 0.000 0.992 125 E CA 1.742 58.130 56.400 -0.019 0.000 0.804 125 E CB -0.170 29.500 29.700 -0.050 0.000 0.741 125 E HN 0.558 nan 8.360 nan 0.000 0.458 126 T N 0.437 115.067 114.554 0.127 0.000 2.770 126 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 126 T C 2.144 176.954 174.700 0.184 0.000 1.039 126 T CA 1.142 63.360 62.100 0.196 0.000 1.142 126 T CB -0.126 68.955 68.868 0.354 0.000 0.868 126 T HN 0.054 nan 8.240 nan 0.000 0.435 127 S N 1.620 117.451 115.700 0.218 0.000 2.374 127 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 127 S C 2.022 176.682 174.600 0.101 0.000 1.037 127 S CA 1.033 59.341 58.200 0.180 0.000 1.024 127 S CB -0.560 62.758 63.200 0.197 0.000 0.861 127 S HN 0.353 nan 8.310 nan 0.000 0.456 128 L N 1.403 122.666 121.223 0.066 0.000 1.994 128 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 128 L C 3.078 179.972 176.870 0.040 0.000 1.071 128 L CA 1.794 56.656 54.840 0.038 0.000 0.745 128 L CB -0.957 41.106 42.059 0.006 0.000 0.892 128 L HN 0.398 nan 8.230 nan 0.000 0.431 129 K N 0.513 120.941 120.400 0.046 0.000 2.152 129 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 129 K C 2.100 178.727 176.600 0.043 0.000 1.048 129 K CA 1.687 57.999 56.287 0.042 0.000 0.933 129 K CB -0.781 31.749 32.500 0.049 0.000 0.721 129 K HN 0.381 nan 8.250 nan 0.000 0.447 130 R N -0.491 120.042 120.500 0.055 0.000 2.062 130 R HA 0.167 4.507 4.340 -0.000 0.000 0.229 130 R C 2.420 178.744 176.300 0.040 0.000 1.128 130 R CA 1.279 57.406 56.100 0.045 0.000 0.960 130 R CB -0.375 29.954 30.300 0.048 0.000 0.855 130 R HN 0.357 nan 8.270 nan 0.000 0.432 131 L N 1.222 122.474 121.223 0.048 0.000 2.551 131 L HA -0.058 4.282 4.340 -0.000 0.000 0.228 131 L C 0.246 177.139 176.870 0.038 0.000 1.153 131 L CA 0.510 55.377 54.840 0.046 0.000 0.851 131 L CB -0.349 41.744 42.059 0.056 0.000 0.959 131 L HN 0.290 nan 8.230 nan 0.000 0.451 132 Q N -0.344 119.476 119.800 0.033 0.000 2.463 132 Q HA -0.231 4.109 4.340 -0.000 0.000 0.299 132 Q C -0.354 175.660 176.000 0.023 0.000 1.353 132 Q CA 0.651 56.469 55.803 0.025 0.000 0.828 132 Q CB -1.951 26.801 28.738 0.023 0.000 1.157 132 Q HN 0.699 nan 8.270 nan 0.000 0.436 133 C N -3.593 115.721 119.300 0.023 0.000 3.090 133 C HA 0.724 5.184 4.460 -0.000 0.000 0.305 133 C C -1.696 173.300 174.990 0.009 0.000 1.292 133 C CA -1.262 57.767 59.018 0.019 0.000 1.482 133 C CB 1.807 29.565 27.740 0.030 0.000 1.897 133 C HN 0.204 nan 8.230 nan 0.000 0.469 134 P HA 0.096 nan 4.420 nan 0.000 0.230 134 P C -0.031 177.257 177.300 -0.020 0.000 1.168 134 P CA 0.962 64.053 63.100 -0.015 0.000 0.793 134 P CB 0.226 31.915 31.700 -0.020 0.000 0.851 135 R N -0.765 119.734 120.500 -0.002 0.000 2.663 135 R HA 0.522 4.862 4.340 -0.000 0.000 0.267 135 R C -1.152 175.176 176.300 0.047 0.000 1.038 135 R CA -0.948 55.158 56.100 0.010 0.000 0.886 135 R CB 1.364 31.660 30.300 -0.008 0.000 1.249 135 R HN -0.179 nan 8.270 nan 0.000 0.463 136 V N -0.717 119.246 119.914 0.082 0.000 2.837 136 V HA 0.395 4.514 4.120 -0.000 0.000 0.310 136 V C 0.183 176.363 176.094 0.144 0.000 1.059 136 V CA -0.482 61.884 62.300 0.111 0.000 1.004 136 V CB 1.838 33.735 31.823 0.123 0.000 1.045 136 V HN 0.914 nan 8.190 nan 0.000 0.465 137 D N 0.629 121.105 120.400 0.127 0.000 2.249 137 D HA 0.156 4.796 4.640 -0.000 0.000 0.205 137 D C 0.004 176.376 176.300 0.120 0.000 0.962 137 D CA 1.104 55.178 54.000 0.123 0.000 0.860 137 D CB 0.903 41.768 40.800 0.108 0.000 0.955 137 D HN 0.394 nan 8.370 nan 0.000 0.505 138 L N 0.044 121.320 121.223 0.088 0.000 2.455 138 L HA 0.423 4.763 4.340 -0.000 0.000 0.264 138 L C -2.019 174.815 176.870 -0.060 0.000 0.968 138 L CA -0.899 53.913 54.840 -0.048 0.000 0.827 138 L CB 2.348 44.312 42.059 -0.158 0.000 1.317 138 L HN -0.255 nan 8.230 nan 0.000 0.407 139 F N 4.940 124.613 119.950 -0.461 0.000 2.500 139 F HA 0.568 5.095 4.527 -0.000 0.000 0.349 139 F C -1.490 173.975 175.800 -0.558 0.000 1.127 139 F CA -0.643 57.040 58.000 -0.529 0.000 0.998 139 F CB 0.795 39.237 39.000 -0.930 0.000 1.237 139 F HN 0.417 nan 8.300 nan 0.000 0.439 140 Y N 5.083 124.937 120.300 -0.744 0.000 2.320 140 Y HA 0.467 5.017 4.550 -0.000 0.000 0.324 140 Y C 0.076 175.454 175.900 -0.870 0.000 1.190 140 Y CA -0.768 56.917 58.100 -0.691 0.000 1.215 140 Y CB 1.094 39.257 38.460 -0.495 0.000 1.221 140 Y HN 0.339 nan 8.280 nan 0.000 0.486 141 L N 3.360 124.336 121.223 -0.412 0.000 2.283 141 L HA 0.157 4.497 4.340 -0.000 0.000 0.287 141 L C 1.164 178.014 176.870 -0.032 0.000 1.073 141 L CA -0.067 54.633 54.840 -0.233 0.000 0.822 141 L CB 0.290 42.271 42.059 -0.129 0.000 1.186 141 L HN 0.874 nan 8.230 nan 0.000 0.436 142 H N 3.736 122.705 119.070 -0.167 0.000 2.352 142 H HA 0.035 4.591 4.556 -0.000 0.000 0.299 142 H C 0.269 175.504 175.328 -0.155 0.000 1.097 142 H CA 1.278 57.210 56.048 -0.193 0.000 1.311 142 H CB 0.386 30.024 29.762 -0.207 0.000 1.377 142 H HN 0.498 nan 8.280 nan 0.000 0.504 143 M N -1.221 118.389 119.600 0.017 0.000 2.603 143 M HA 0.288 4.768 4.480 -0.000 0.000 0.275 143 M C -2.626 173.413 176.300 -0.436 0.000 1.226 143 M CA -2.070 53.106 55.300 -0.207 0.000 0.870 143 M CB 2.831 35.289 32.600 -0.235 0.000 1.716 143 M HN -0.203 nan 8.290 nan 0.000 0.482 144 P HA 0.038 nan 4.420 nan 0.000 0.265 144 P C -1.183 175.736 177.300 -0.634 0.000 1.193 144 P CA 0.200 62.693 63.100 -1.012 0.000 0.765 144 P CB 0.342 31.313 31.700 -1.215 0.000 0.823 145 D N 1.756 121.914 120.400 -0.403 0.000 2.493 145 D HA 0.051 4.690 4.640 -0.000 0.000 0.235 145 D C 0.727 176.909 176.300 -0.197 0.000 1.117 145 D CA -0.288 53.561 54.000 -0.251 0.000 0.930 145 D CB -0.209 40.521 40.800 -0.116 0.000 1.010 145 D HN 0.330 nan 8.370 nan 0.000 0.514 146 H N 0.973 120.005 119.070 -0.064 0.000 2.560 146 H HA -0.063 4.493 4.556 -0.000 0.000 0.283 146 H C 1.546 176.869 175.328 -0.007 0.000 1.028 146 H CA 1.053 57.083 56.048 -0.030 0.000 1.221 146 H CB 0.129 29.875 29.762 -0.027 0.000 1.363 146 H HN 0.365 nan 8.280 nan 0.000 0.594 147 S N -0.788 114.954 115.700 0.070 0.000 2.540 147 S HA 0.085 4.555 4.470 -0.000 0.000 0.218 147 S C 0.642 175.262 174.600 0.034 0.000 0.977 147 S CA -0.410 57.819 58.200 0.049 0.000 0.918 147 S CB 0.415 63.631 63.200 0.027 0.000 0.806 147 S HN 0.033 nan 8.310 nan 0.000 0.496 148 T N 4.373 118.943 114.554 0.027 0.000 2.840 148 T HA 0.514 4.864 4.350 -0.000 0.000 0.287 148 T C -3.070 171.653 174.700 0.039 0.000 0.991 148 T CA -1.305 60.810 62.100 0.025 0.000 0.964 148 T CB 1.653 70.525 68.868 0.008 0.000 0.954 148 T HN 0.009 nan 8.240 nan 0.000 0.438 149 P HA 0.040 nan 4.420 nan 0.000 0.262 149 P C 1.100 178.437 177.300 0.061 0.000 1.182 149 P CA -0.132 63.006 63.100 0.064 0.000 0.761 149 P CB 0.623 32.362 31.700 0.064 0.000 0.795 150 V N 3.677 123.636 119.914 0.075 0.000 2.594 150 V HA -0.235 3.885 4.120 -0.000 0.000 0.253 150 V C 1.952 178.091 176.094 0.075 0.000 1.069 150 V CA 1.852 64.194 62.300 0.070 0.000 1.082 150 V CB -0.712 31.160 31.823 0.081 0.000 0.680 150 V HN 0.567 nan 8.190 nan 0.000 0.469 151 E N -0.269 119.999 120.200 0.113 0.000 2.049 151 E HA -0.298 4.052 4.350 -0.000 0.000 0.198 151 E C 2.158 178.789 176.600 0.053 0.000 1.007 151 E CA 2.019 58.524 56.400 0.174 0.000 0.809 151 E CB -0.140 29.679 29.700 0.198 0.000 0.749 151 E HN 0.736 nan 8.360 nan 0.000 0.450 152 E N -0.276 119.940 120.200 0.027 0.000 2.058 152 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 152 E C 2.176 178.726 176.600 -0.084 0.000 0.997 152 E CA 1.720 58.105 56.400 -0.025 0.000 0.801 152 E CB -0.106 29.596 29.700 0.003 0.000 0.746 152 E HN 0.216 nan 8.360 nan 0.000 0.450 153 T N 1.627 116.149 114.554 -0.053 0.000 2.652 153 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 153 T C 2.016 176.642 174.700 -0.123 0.000 1.039 153 T CA 0.999 63.062 62.100 -0.060 0.000 1.153 153 T CB -0.292 68.561 68.868 -0.026 0.000 0.863 153 T HN 0.074 nan 8.240 nan 0.000 0.428 154 L N 0.436 121.562 121.223 -0.162 0.000 2.017 154 L HA -0.079 4.260 4.340 -0.000 0.000 0.208 154 L C 2.884 179.385 176.870 -0.615 0.000 1.073 154 L CA 1.378 56.077 54.840 -0.235 0.000 0.745 154 L CB -0.529 41.511 42.059 -0.032 0.000 0.894 154 L HN 0.160 nan 8.230 nan 0.000 0.432 155 R N 0.357 120.237 120.500 -1.034 0.000 2.103 155 R HA -0.231 4.109 4.340 -0.000 0.000 0.242 155 R C 2.281 178.293 176.300 -0.479 0.000 1.142 155 R CA 1.703 57.104 56.100 -1.165 0.000 0.960 155 R CB -0.273 29.590 30.300 -0.729 0.000 0.858 155 R HN 0.375 nan 8.270 nan 0.000 0.439 156 A N 0.039 122.696 122.820 -0.273 0.000 1.930 156 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 156 A C 2.449 180.010 177.584 -0.038 0.000 1.175 156 A CA 1.439 53.404 52.037 -0.121 0.000 0.627 156 A CB -0.740 18.217 19.000 -0.072 0.000 0.815 156 A HN 0.594 nan 8.150 nan 0.000 0.443 157 C N -1.781 117.516 119.300 -0.005 0.000 2.429 157 C HA -0.065 4.394 4.460 -0.000 0.000 0.277 157 C C 2.591 177.728 174.990 0.244 0.000 1.262 157 C CA 1.245 60.382 59.018 0.199 0.000 1.733 157 C CB -1.462 26.385 27.740 0.177 0.000 2.010 157 C HN 0.819 nan 8.230 nan 0.000 0.483 158 H N 0.765 119.793 119.070 -0.069 0.000 2.290 158 H HA -0.175 4.381 4.556 -0.000 0.000 0.298 158 H C 2.283 177.586 175.328 -0.040 0.000 1.087 158 H CA 2.278 58.289 56.048 -0.062 0.000 1.291 158 H CB -0.441 29.158 29.762 -0.272 0.000 1.369 158 H HN 0.477 nan 8.280 nan 0.000 0.492 159 Q N -0.347 119.393 119.800 -0.100 0.000 2.181 159 Q HA -0.134 4.206 4.340 -0.000 0.000 0.205 159 Q C 2.273 178.181 176.000 -0.153 0.000 0.980 159 Q CA 1.566 57.286 55.803 -0.138 0.000 0.862 159 Q CB -0.042 28.644 28.738 -0.087 0.000 0.905 159 Q HN 0.528 nan 8.270 nan 0.000 0.429 160 L N -1.158 120.015 121.223 -0.083 0.000 2.179 160 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 160 L C 2.322 179.034 176.870 -0.263 0.000 1.096 160 L CA 1.046 55.835 54.840 -0.086 0.000 0.779 160 L CB -0.344 41.757 42.059 0.070 0.000 0.922 160 L HN 0.340 nan 8.230 nan 0.000 0.443 161 H N -0.167 118.591 119.070 -0.520 0.000 2.357 161 H HA -0.131 4.425 4.556 -0.000 0.000 0.301 161 H C 2.273 177.284 175.328 -0.530 0.000 1.082 161 H CA 1.344 56.865 56.048 -0.878 0.000 1.342 161 H CB 0.211 29.482 29.762 -0.819 0.000 1.389 161 H HN 0.155 nan 8.280 nan 0.000 0.511 162 Q N 0.479 119.975 119.800 -0.506 0.000 2.181 162 Q HA -0.160 4.179 4.340 -0.000 0.000 0.205 162 Q C 1.561 177.349 176.000 -0.352 0.000 0.980 162 Q CA 1.646 57.187 55.803 -0.437 0.000 0.862 162 Q CB -0.052 28.481 28.738 -0.343 0.000 0.905 162 Q HN 0.739 nan 8.270 nan 0.000 0.429 163 E N -0.810 119.202 120.200 -0.314 0.000 2.489 163 E HA 0.139 4.489 4.350 -0.000 0.000 0.193 163 E C 0.653 177.101 176.600 -0.254 0.000 1.057 163 E CA 0.278 56.536 56.400 -0.237 0.000 0.866 163 E CB 0.258 29.849 29.700 -0.182 0.000 0.916 163 E HN 0.464 nan 8.360 nan 0.000 0.500 164 G N 2.143 110.724 108.800 -0.365 0.000 2.176 164 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 164 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 164 G C 0.867 175.626 174.900 -0.235 0.000 1.024 164 G CA 0.401 45.300 45.100 -0.334 0.000 0.755 164 G HN 0.143 nan 8.290 nan 0.000 0.507 165 K N -1.030 119.229 120.400 -0.236 0.000 2.366 165 K HA 0.224 4.544 4.320 -0.000 0.000 0.198 165 K C 0.854 177.464 176.600 0.016 0.000 1.044 165 K CA 1.317 57.537 56.287 -0.112 0.000 0.973 165 K CB 0.084 32.522 32.500 -0.104 0.000 0.767 165 K HN 0.925 nan 8.250 nan 0.000 0.475 166 F N -4.389 115.505 119.950 -0.094 0.000 2.686 166 F HA 0.312 4.839 4.527 -0.000 0.000 0.311 166 F C 0.559 176.421 175.800 0.103 0.000 1.128 166 F CA -1.221 56.771 58.000 -0.015 0.000 0.946 166 F CB 0.608 39.592 39.000 -0.028 0.000 1.336 166 F HN -0.380 nan 8.300 nan 0.000 0.457 167 V N -0.217 119.878 119.914 0.303 0.000 2.403 167 V HA 0.180 4.300 4.120 -0.000 0.000 0.239 167 V C 0.294 176.565 176.094 0.295 0.000 1.041 167 V CA 0.928 63.361 62.300 0.222 0.000 1.051 167 V CB -0.247 31.663 31.823 0.145 0.000 0.704 167 V HN 0.764 nan 8.190 nan 0.000 0.472 168 E N 0.086 120.487 120.200 0.335 0.000 2.212 168 E HA 0.483 4.833 4.350 -0.000 0.000 0.268 168 E C -1.473 175.205 176.600 0.130 0.000 0.902 168 E CA -0.743 55.765 56.400 0.180 0.000 0.779 168 E CB 2.534 32.248 29.700 0.024 0.000 1.172 168 E HN 0.117 nan 8.360 nan 0.000 0.409 169 L N 1.740 122.988 121.223 0.042 0.000 2.334 169 L HA 0.653 4.993 4.340 -0.000 0.000 0.277 169 L C -0.156 176.511 176.870 -0.338 0.000 1.075 169 L CA 0.188 54.924 54.840 -0.174 0.000 0.804 169 L CB 1.398 43.437 42.059 -0.033 0.000 1.174 169 L HN 0.574 nan 8.230 nan 0.000 0.438 170 G N 4.539 113.024 108.800 -0.525 0.000 2.605 170 G HA2 0.669 4.629 3.960 -0.000 0.000 0.296 170 G HA3 0.669 4.629 3.960 -0.000 0.000 0.296 170 G C -1.796 172.907 174.900 -0.329 0.000 1.304 170 G CA -0.707 44.052 45.100 -0.568 0.000 0.941 170 G HN 0.649 nan 8.290 nan 0.000 0.475 171 L N 0.238 121.342 121.223 -0.199 0.000 2.354 171 L HA 0.801 5.141 4.340 -0.000 0.000 0.264 171 L C -0.135 176.530 176.870 -0.342 0.000 1.008 171 L CA -0.981 53.703 54.840 -0.259 0.000 0.819 171 L CB 2.429 44.271 42.059 -0.362 0.000 1.339 171 L HN 0.572 nan 8.230 nan 0.000 0.420 172 S N 1.044 116.611 115.700 -0.221 0.000 2.546 172 S HA 0.401 4.871 4.470 -0.000 0.000 0.272 172 S C -0.235 174.360 174.600 -0.008 0.000 1.140 172 S CA -0.524 57.454 58.200 -0.370 0.000 0.920 172 S CB 0.964 63.935 63.200 -0.382 0.000 1.083 172 S HN 0.795 nan 8.310 nan 0.000 0.476 173 N N 1.053 119.810 118.700 0.094 0.000 2.753 173 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 173 N C -1.026 174.626 175.510 0.238 0.000 1.097 173 N CA 1.100 54.319 53.050 0.282 0.000 0.786 173 N CB -1.681 36.880 38.487 0.122 0.000 1.137 173 N HN 0.666 nan 8.380 nan 0.000 0.566 174 Y N 0.715 121.161 120.300 0.242 0.000 2.301 174 Y HA 0.471 5.021 4.550 -0.000 0.000 0.325 174 Y C 1.247 177.279 175.900 0.220 0.000 1.203 174 Y CA -0.245 57.946 58.100 0.152 0.000 1.255 174 Y CB 0.850 39.355 38.460 0.075 0.000 1.232 174 Y HN 0.145 nan 8.280 nan 0.000 0.501 175 A N 1.859 124.638 122.820 -0.069 0.000 2.425 175 A HA 0.425 4.745 4.320 -0.000 0.000 0.242 175 A C 1.361 178.874 177.584 -0.119 0.000 1.077 175 A CA 0.135 51.950 52.037 -0.370 0.000 0.781 175 A CB -0.071 18.348 19.000 -0.969 0.000 1.020 175 A HN 1.046 nan 8.150 nan 0.000 0.494 176 A N 2.069 124.961 122.820 0.120 0.000 1.903 176 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 176 A C 1.915 179.544 177.584 0.075 0.000 1.191 176 A CA 2.160 54.271 52.037 0.122 0.000 0.638 176 A CB -1.037 18.076 19.000 0.188 0.000 0.823 176 A HN 1.318 nan 8.150 nan 0.000 0.451 177 W N 0.063 121.377 121.300 0.023 0.000 2.425 177 W HA -0.072 4.587 4.660 -0.000 0.000 0.277 177 W C 1.259 177.791 176.519 0.022 0.000 1.231 177 W CA 1.052 58.404 57.345 0.011 0.000 1.248 177 W CB -0.892 28.561 29.460 -0.012 0.000 1.117 177 W HN 0.497 nan 8.180 nan 0.000 0.568 178 E N 1.168 120.984 120.200 -0.639 0.000 2.106 178 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 178 E C 2.416 178.911 176.600 -0.174 0.000 0.984 178 E CA 1.592 57.706 56.400 -0.478 0.000 0.806 178 E CB -0.208 29.194 29.700 -0.498 0.000 0.750 178 E HN 0.095 nan 8.360 nan 0.000 0.458 179 V N 1.568 121.403 119.914 -0.130 0.000 2.295 179 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 179 V C 2.398 178.309 176.094 -0.306 0.000 1.049 179 V CA 1.809 64.011 62.300 -0.162 0.000 1.024 179 V CB -0.794 30.990 31.823 -0.064 0.000 0.648 179 V HN 0.301 nan 8.190 nan 0.000 0.447 180 A N -0.220 122.453 122.820 -0.245 0.000 1.908 180 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 180 A C 2.298 179.739 177.584 -0.239 0.000 1.181 180 A CA 2.242 54.067 52.037 -0.352 0.000 0.627 180 A CB -0.574 18.462 19.000 0.060 0.000 0.818 180 A HN 0.649 nan 8.150 nan 0.000 0.445 181 E N -0.259 119.903 120.200 -0.063 0.000 2.038 181 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 181 E C 1.917 178.479 176.600 -0.063 0.000 1.000 181 E CA 1.463 57.862 56.400 -0.002 0.000 0.803 181 E CB -0.252 29.495 29.700 0.080 0.000 0.750 181 E HN 0.659 nan 8.360 nan 0.000 0.448 182 I N 0.588 121.088 120.570 -0.117 0.000 2.163 182 I HA -0.366 3.803 4.170 -0.000 0.000 0.243 182 I C 2.628 178.673 176.117 -0.119 0.000 1.085 182 I CA 1.019 62.256 61.300 -0.106 0.000 1.347 182 I CB -0.279 37.612 38.000 -0.182 0.000 1.044 182 I HN 0.366 nan 8.210 nan 0.000 0.408 183 C N 0.106 119.253 119.300 -0.255 0.000 2.425 183 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 183 C C 2.977 177.912 174.990 -0.093 0.000 1.280 183 C CA 1.430 60.305 59.018 -0.237 0.000 1.744 183 C CB -1.210 26.190 27.740 -0.567 0.000 1.989 183 C HN 0.522 nan 8.230 nan 0.000 0.491 184 T N 1.363 115.867 114.554 -0.083 0.000 2.821 184 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 184 T C 1.715 176.401 174.700 -0.023 0.000 1.046 184 T CA 1.025 63.144 62.100 0.032 0.000 1.139 184 T CB -0.234 68.681 68.868 0.077 0.000 0.871 184 T HN 0.467 nan 8.240 nan 0.000 0.454 185 L N 0.369 121.569 121.223 -0.037 0.000 2.093 185 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 185 L C 2.763 179.527 176.870 -0.176 0.000 1.085 185 L CA 0.866 55.661 54.840 -0.074 0.000 0.755 185 L CB -0.532 41.541 42.059 0.023 0.000 0.904 185 L HN 0.391 nan 8.230 nan 0.000 0.435 186 C N -0.373 118.892 119.300 -0.059 0.000 2.453 186 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 186 C C 2.744 177.644 174.990 -0.150 0.000 1.262 186 C CA 0.403 59.391 59.018 -0.050 0.000 1.718 186 C CB -0.626 27.163 27.740 0.082 0.000 2.031 186 C HN 0.423 nan 8.230 nan 0.000 0.480 187 K N 1.611 121.963 120.400 -0.080 0.000 2.020 187 K HA -0.199 4.120 4.320 -0.000 0.000 0.212 187 K C 2.243 178.759 176.600 -0.140 0.000 1.050 187 K CA 2.215 58.460 56.287 -0.069 0.000 0.929 187 K CB -0.368 32.130 32.500 -0.004 0.000 0.714 187 K HN 0.644 nan 8.250 nan 0.000 0.443 188 S N 0.491 116.090 115.700 -0.167 0.000 2.453 188 S HA -0.016 4.454 4.470 -0.000 0.000 0.231 188 S C 1.341 175.744 174.600 -0.328 0.000 1.005 188 S CA 0.805 58.889 58.200 -0.194 0.000 0.949 188 S CB -0.019 63.094 63.200 -0.143 0.000 0.774 188 S HN 0.192 nan 8.310 nan 0.000 0.510 189 N N 1.183 119.542 118.700 -0.568 0.000 2.236 189 N HA 0.222 4.962 4.740 -0.000 0.000 0.196 189 N C 1.056 176.019 175.510 -0.912 0.000 1.114 189 N CA 0.674 53.157 53.050 -0.945 0.000 0.859 189 N CB 0.381 37.692 38.487 -1.959 0.000 0.982 189 N HN 0.624 nan 8.380 nan 0.000 0.493 190 G N 0.638 109.123 108.800 -0.525 0.000 2.273 190 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.280 190 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.280 190 G C -0.364 174.366 174.900 -0.284 0.000 1.047 190 G CA 0.006 44.927 45.100 -0.298 0.000 0.869 190 G HN 0.186 nan 8.290 nan 0.000 0.502 191 W N -0.908 120.209 121.300 -0.305 0.000 2.415 191 W HA 0.675 5.335 4.660 -0.000 0.000 0.355 191 W C 0.956 177.415 176.519 -0.100 0.000 1.161 191 W CA -2.594 54.496 57.345 -0.425 0.000 1.315 191 W CB 0.274 29.568 29.460 -0.276 0.000 1.261 191 W HN 0.196 nan 8.180 nan 0.000 0.636 192 I N 2.431 123.200 120.570 0.331 0.000 2.683 192 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 192 I C -0.308 175.868 176.117 0.098 0.000 1.175 192 I CA -0.114 61.265 61.300 0.132 0.000 1.429 192 I CB 0.246 38.212 38.000 -0.056 0.000 1.371 192 I HN 0.042 nan 8.210 nan 0.000 0.569 193 L N 10.040 131.287 121.223 0.040 0.000 2.375 193 L HA 0.441 4.781 4.340 -0.000 0.000 0.271 193 L C -1.981 174.878 176.870 -0.019 0.000 1.107 193 L CA -1.420 53.430 54.840 0.016 0.000 0.806 193 L CB 0.259 42.328 42.059 0.017 0.000 1.146 193 L HN 0.502 nan 8.230 nan 0.000 0.447 194 P HA 0.139 nan 4.420 nan 0.000 0.271 194 P C -0.101 177.154 177.300 -0.076 0.000 1.216 194 P CA -0.214 62.825 63.100 -0.100 0.000 0.776 194 P CB 0.775 32.386 31.700 -0.148 0.000 0.881 195 T N -1.561 112.932 114.554 -0.101 0.000 3.058 195 T HA 0.273 4.623 4.350 -0.000 0.000 0.278 195 T C 0.246 174.876 174.700 -0.117 0.000 0.974 195 T CA -0.112 61.942 62.100 -0.076 0.000 0.893 195 T CB -0.017 68.817 68.868 -0.057 0.000 1.138 195 T HN 0.173 nan 8.240 nan 0.000 0.529 196 V N 1.478 121.276 119.914 -0.193 0.000 2.686 196 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 196 V C -1.691 174.319 176.094 -0.139 0.000 1.065 196 V CA -1.372 60.764 62.300 -0.274 0.000 0.894 196 V CB 2.074 33.571 31.823 -0.544 0.000 1.004 196 V HN 0.444 nan 8.190 nan 0.000 0.424 197 Y N 3.283 123.473 120.300 -0.184 0.000 2.352 197 Y HA 0.593 5.143 4.550 -0.000 0.000 0.339 197 Y C 0.025 175.790 175.900 -0.225 0.000 0.992 197 Y CA -0.281 57.763 58.100 -0.093 0.000 1.100 197 Y CB 1.813 40.270 38.460 -0.006 0.000 1.192 197 Y HN 0.695 nan 8.280 nan 0.000 0.458 198 Q N 4.574 124.129 119.800 -0.408 0.000 2.348 198 Q HA 0.642 4.982 4.340 -0.000 0.000 0.265 198 Q C -1.087 174.826 176.000 -0.144 0.000 0.998 198 Q CA -0.669 54.954 55.803 -0.299 0.000 0.831 198 Q CB 1.268 29.757 28.738 -0.415 0.000 1.251 198 Q HN 0.955 nan 8.270 nan 0.000 0.456 199 G N 2.961 111.703 108.800 -0.097 0.000 2.619 199 G HA2 0.392 4.352 3.960 -0.000 0.000 0.296 199 G HA3 0.392 4.352 3.960 -0.000 0.000 0.296 199 G C -1.257 173.468 174.900 -0.291 0.000 1.334 199 G CA -0.919 44.359 45.100 0.298 0.000 0.934 199 G HN 0.677 nan 8.290 nan 0.000 0.476 200 M N 1.994 121.290 119.600 -0.505 0.000 2.292 200 M HA 0.397 4.877 4.480 -0.000 0.000 0.342 200 M C -1.671 174.653 176.300 0.039 0.000 1.538 200 M CA -0.157 54.703 55.300 -0.734 0.000 1.163 200 M CB 0.081 32.541 32.600 -0.233 0.000 1.823 200 M HN 0.505 nan 8.290 nan 0.000 0.462 201 Y N 5.853 126.096 120.300 -0.096 0.000 2.399 201 Y HA 0.469 5.019 4.550 -0.000 0.000 0.327 201 Y C -1.462 174.445 175.900 0.012 0.000 1.111 201 Y CA -1.365 56.757 58.100 0.035 0.000 1.047 201 Y CB 1.192 39.786 38.460 0.223 0.000 1.259 201 Y HN 0.886 nan 8.280 nan 0.000 0.434 202 N N 1.925 120.518 118.700 -0.179 0.000 3.020 202 N HA 0.548 5.288 4.740 -0.000 0.000 0.248 202 N C -0.048 175.036 175.510 -0.711 0.000 1.480 202 N CA -0.296 52.530 53.050 -0.374 0.000 0.874 202 N CB 0.614 38.974 38.487 -0.211 0.000 1.433 202 N HN 0.457 nan 8.380 nan 0.000 0.530 203 A N -0.265 121.948 122.820 -1.011 0.000 1.986 203 A HA -0.004 4.316 4.320 -0.000 0.000 0.220 203 A C 1.914 178.935 177.584 -0.938 0.000 1.171 203 A CA 2.916 53.891 52.037 -1.771 0.000 0.640 203 A CB -1.319 16.570 19.000 -1.851 0.000 0.811 203 A HN 1.285 nan 8.150 nan 0.000 0.451 204 I N -1.768 118.546 120.570 -0.427 0.000 3.941 204 I HA 0.444 4.614 4.170 -0.000 0.000 0.335 204 I C 0.629 176.826 176.117 0.133 0.000 1.402 204 I CA 0.874 62.136 61.300 -0.063 0.000 1.112 204 I CB -0.712 37.277 38.000 -0.018 0.000 1.043 204 I HN 0.120 nan 8.210 nan 0.000 0.395 205 T N 0.854 115.354 114.554 -0.091 0.000 3.089 205 T HA 0.467 4.817 4.350 -0.000 0.000 0.340 205 T C 0.293 174.885 174.700 -0.179 0.000 1.008 205 T CA -0.347 61.783 62.100 0.051 0.000 1.096 205 T CB 0.385 69.411 68.868 0.263 0.000 1.024 205 T HN 0.570 nan 8.240 nan 0.000 0.477 206 R N 1.292 121.398 120.500 -0.657 0.000 2.690 206 R HA 0.227 4.567 4.340 -0.000 0.000 0.419 206 R C 1.561 177.661 176.300 -0.334 0.000 1.090 206 R CA -0.287 55.445 56.100 -0.613 0.000 1.064 206 R CB 0.575 30.122 30.300 -1.254 0.000 1.391 206 R HN 0.488 nan 8.270 nan 0.000 0.586 207 Q N 1.292 121.084 119.800 -0.014 0.000 2.167 207 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 207 Q C 1.972 177.944 176.000 -0.046 0.000 0.970 207 Q CA 1.775 57.681 55.803 0.172 0.000 0.855 207 Q CB 0.258 29.230 28.738 0.390 0.000 0.911 207 Q HN 0.344 nan 8.270 nan 0.000 0.438 208 V N -1.500 118.222 119.914 -0.320 0.000 2.453 208 V HA -0.270 3.849 4.120 -0.000 0.000 0.252 208 V C 1.662 177.343 176.094 -0.688 0.000 1.068 208 V CA 2.107 63.998 62.300 -0.680 0.000 1.070 208 V CB -0.835 30.566 31.823 -0.704 0.000 0.664 208 V HN 0.306 nan 8.190 nan 0.000 0.461 209 E N 0.787 120.505 120.200 -0.804 0.000 2.097 209 E HA -0.191 4.158 4.350 -0.000 0.000 0.196 209 E C 2.326 178.739 176.600 -0.312 0.000 1.000 209 E CA 2.082 58.026 56.400 -0.760 0.000 0.804 209 E CB -0.461 28.914 29.700 -0.541 0.000 0.740 209 E HN 0.762 nan 8.360 nan 0.000 0.454 210 T N 0.550 115.018 114.554 -0.143 0.000 2.701 210 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 210 T C 1.641 176.344 174.700 0.006 0.000 1.040 210 T CA 1.352 63.444 62.100 -0.014 0.000 1.147 210 T CB -0.061 68.852 68.868 0.074 0.000 0.865 210 T HN 0.208 nan 8.240 nan 0.000 0.426 211 E N -0.531 119.679 120.200 0.018 0.000 2.354 211 E HA 0.219 4.568 4.350 -0.000 0.000 0.203 211 E C 1.914 178.532 176.600 0.030 0.000 0.841 211 E CA -0.155 56.279 56.400 0.056 0.000 1.046 211 E CB -0.040 29.737 29.700 0.128 0.000 1.040 211 E HN 0.094 nan 8.360 nan 0.000 0.504 212 L N 0.891 122.080 121.223 -0.056 0.000 2.017 212 L HA -0.122 4.217 4.340 -0.000 0.000 0.208 212 L C 1.927 178.779 176.870 -0.030 0.000 1.073 212 L CA 1.740 56.506 54.840 -0.124 0.000 0.745 212 L CB -0.445 41.349 42.059 -0.442 0.000 0.894 212 L HN 0.004 nan 8.230 nan 0.000 0.432 213 F N 0.162 119.923 119.950 -0.315 0.000 2.051 213 F HA -0.082 4.445 4.527 -0.000 0.000 0.296 213 F C -0.113 175.605 175.800 -0.136 0.000 1.122 213 F CA 1.371 59.209 58.000 -0.269 0.000 1.201 213 F CB -2.449 36.353 39.000 -0.329 0.000 0.978 213 F HN 0.144 nan 8.300 nan 0.000 0.472 214 P HA -0.238 nan 4.420 nan 0.000 0.217 214 P C 2.144 179.477 177.300 0.056 0.000 1.158 214 P CA 1.991 65.121 63.100 0.049 0.000 0.887 214 P CB -0.331 31.391 31.700 0.037 0.000 0.792 215 C N -1.213 118.132 119.300 0.075 0.000 2.432 215 C HA -0.108 4.351 4.460 -0.000 0.000 0.277 215 C C 2.657 177.774 174.990 0.212 0.000 1.249 215 C CA 0.710 59.828 59.018 0.167 0.000 1.725 215 C CB -1.829 26.005 27.740 0.156 0.000 2.028 215 C HN 0.081 nan 8.230 nan 0.000 0.477 216 L N 0.614 121.868 121.223 0.051 0.000 2.046 216 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 216 L C 3.020 179.879 176.870 -0.018 0.000 1.077 216 L CA 1.416 56.258 54.840 0.004 0.000 0.747 216 L CB -0.722 41.242 42.059 -0.158 0.000 0.896 216 L HN 0.325 nan 8.230 nan 0.000 0.432 217 R N -0.995 119.459 120.500 -0.076 0.000 2.115 217 R HA -0.160 4.179 4.340 -0.000 0.000 0.230 217 R C 2.157 178.400 176.300 -0.095 0.000 1.111 217 R CA 1.119 57.130 56.100 -0.148 0.000 0.976 217 R CB -0.966 29.239 30.300 -0.159 0.000 0.870 217 R HN 0.537 nan 8.270 nan 0.000 0.445 218 H N -0.306 118.689 119.070 -0.124 0.000 2.357 218 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 218 H C 0.935 176.065 175.328 -0.331 0.000 1.082 218 H CA 1.353 57.256 56.048 -0.241 0.000 1.342 218 H CB 0.077 29.651 29.762 -0.313 0.000 1.389 218 H HN 0.084 nan 8.280 nan 0.000 0.511 219 F N -0.231 119.708 119.950 -0.020 0.000 2.765 219 F HA 0.227 4.754 4.527 -0.000 0.000 0.302 219 F C 1.782 177.531 175.800 -0.085 0.000 1.111 219 F CA 0.710 58.676 58.000 -0.057 0.000 1.359 219 F CB 0.543 39.559 39.000 0.026 0.000 1.097 219 F HN 0.340 nan 8.300 nan 0.000 0.577 220 G N 1.008 109.818 108.800 0.017 0.000 2.160 220 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 220 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 220 G C -0.187 174.709 174.900 -0.007 0.000 1.022 220 G CA -0.377 44.703 45.100 -0.034 0.000 0.741 220 G HN 0.156 nan 8.290 nan 0.000 0.508 221 L N 0.560 121.791 121.223 0.012 0.000 2.375 221 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 221 L C 1.300 178.162 176.870 -0.014 0.000 1.107 221 L CA -0.652 54.189 54.840 0.002 0.000 0.806 221 L CB 0.941 43.019 42.059 0.032 0.000 1.146 221 L HN 0.464 nan 8.230 nan 0.000 0.447 222 R N 1.706 122.204 120.500 -0.003 0.000 2.536 222 R HA 0.538 4.878 4.340 -0.000 0.000 0.279 222 R C -1.111 175.237 176.300 0.080 0.000 1.001 222 R CA -0.560 55.574 56.100 0.055 0.000 1.027 222 R CB 0.940 31.308 30.300 0.113 0.000 1.096 222 R HN 0.397 nan 8.270 nan 0.000 0.502 223 F N 2.493 122.445 119.950 0.003 0.000 2.427 223 F HA 0.389 4.916 4.527 -0.000 0.000 0.346 223 F C -1.325 174.688 175.800 0.354 0.000 1.120 223 F CA -0.921 57.109 58.000 0.051 0.000 1.033 223 F CB 1.065 39.901 39.000 -0.274 0.000 1.126 223 F HN 0.390 nan 8.300 nan 0.000 0.462 224 Y N 4.752 124.827 120.300 -0.374 0.000 2.331 224 Y HA 0.609 5.158 4.550 -0.000 0.000 0.338 224 Y C 0.208 175.897 175.900 -0.352 0.000 0.976 224 Y CA -1.888 56.104 58.100 -0.180 0.000 1.137 224 Y CB 1.148 39.581 38.460 -0.045 0.000 1.172 224 Y HN 0.715 nan 8.280 nan 0.000 0.478 225 A N 5.528 128.444 122.820 0.159 0.000 2.328 225 A HA 0.656 4.976 4.320 -0.000 0.000 0.284 225 A C -0.666 177.037 177.584 0.198 0.000 1.160 225 A CA -0.326 51.871 52.037 0.267 0.000 0.818 225 A CB -0.345 18.927 19.000 0.453 0.000 1.087 225 A HN 0.612 nan 8.150 nan 0.000 0.504 226 F N 0.481 120.524 119.950 0.153 0.000 2.613 226 F HA 0.612 5.139 4.527 -0.000 0.000 0.342 226 F C 0.405 176.311 175.800 0.178 0.000 1.066 226 F CA -1.358 56.711 58.000 0.114 0.000 1.002 226 F CB 0.632 39.667 39.000 0.058 0.000 1.319 226 F HN 0.717 nan 8.300 nan 0.000 0.495 227 N N 0.236 119.202 118.700 0.443 0.000 2.721 227 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 227 N C -2.132 173.447 175.510 0.116 0.000 1.072 227 N CA 0.432 53.669 53.050 0.313 0.000 0.710 227 N CB -0.850 37.892 38.487 0.426 0.000 0.993 227 N HN 0.576 nan 8.380 nan 0.000 0.547 228 P HA -0.131 nan 4.420 nan 0.000 0.222 228 P C 0.833 178.120 177.300 -0.022 0.000 1.147 228 P CA 1.110 64.219 63.100 0.016 0.000 0.790 228 P CB 0.215 31.934 31.700 0.031 0.000 0.780 229 L N -1.287 119.939 121.223 0.006 0.000 2.872 229 L HA 0.427 4.767 4.340 -0.000 0.000 0.245 229 L C 0.702 177.531 176.870 -0.069 0.000 1.211 229 L CA -0.332 54.500 54.840 -0.012 0.000 1.013 229 L CB -0.479 41.607 42.059 0.044 0.000 1.326 229 L HN -0.140 nan 8.230 nan 0.000 0.525 230 A N 0.484 123.196 122.820 -0.180 0.000 2.640 230 A HA -0.142 4.177 4.320 -0.000 0.000 0.300 230 A C 1.470 178.988 177.584 -0.110 0.000 1.499 230 A CA 0.820 52.505 52.037 -0.586 0.000 0.759 230 A CB -1.864 16.557 19.000 -0.964 0.000 1.048 230 A HN 1.045 nan 8.150 nan 0.000 0.450 231 G N -2.153 106.737 108.800 0.149 0.000 2.155 231 G HA2 0.219 4.179 3.960 -0.000 0.000 0.257 231 G HA3 0.219 4.179 3.960 -0.000 0.000 0.257 231 G C 1.168 176.266 174.900 0.330 0.000 0.983 231 G CA 0.961 46.172 45.100 0.186 0.000 0.676 231 G HN 2.992 nan 8.290 nan 0.000 0.528 232 G N -1.604 107.360 108.800 0.273 0.000 2.213 232 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.226 232 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.226 232 G C 1.155 176.260 174.900 0.342 0.000 0.992 232 G CA 0.920 46.211 45.100 0.318 0.000 0.632 232 G HN 1.433 nan 8.290 nan 0.000 0.511 233 L N 0.799 122.182 121.223 0.266 0.000 2.079 233 L HA 0.233 4.573 4.340 -0.000 0.000 0.210 233 L C 2.531 179.385 176.870 -0.027 0.000 1.081 233 L CA 2.300 57.157 54.840 0.030 0.000 0.752 233 L CB -0.214 41.700 42.059 -0.241 0.000 0.896 233 L HN 0.408 nan 8.230 nan 0.000 0.433 234 L N -0.974 120.230 121.223 -0.031 0.000 2.610 234 L HA -0.059 4.281 4.340 -0.000 0.000 0.232 234 L C 2.134 179.014 176.870 0.016 0.000 1.149 234 L CA 0.891 55.715 54.840 -0.026 0.000 0.872 234 L CB -0.869 41.168 42.059 -0.036 0.000 0.992 234 L HN 0.450 nan 8.230 nan 0.000 0.447 235 T N -3.812 110.762 114.554 0.033 0.000 3.035 235 T HA 0.023 4.373 4.350 -0.000 0.000 0.268 235 T C 1.586 176.282 174.700 -0.006 0.000 1.109 235 T CA 0.635 62.747 62.100 0.019 0.000 1.119 235 T CB -0.003 68.874 68.868 0.015 0.000 0.900 235 T HN 0.444 nan 8.240 nan 0.000 0.503 236 G N 2.459 111.257 108.800 -0.003 0.000 2.143 236 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.248 236 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.248 236 G C 0.671 175.563 174.900 -0.012 0.000 0.991 236 G CA 0.577 45.678 45.100 0.002 0.000 0.689 236 G HN 0.805 nan 8.290 nan 0.000 0.522 237 K N -0.936 119.401 120.400 -0.105 0.000 2.400 237 K HA 0.221 4.540 4.320 -0.000 0.000 0.194 237 K C 0.373 176.839 176.600 -0.224 0.000 1.033 237 K CA 0.095 56.254 56.287 -0.214 0.000 1.021 237 K CB 0.255 32.550 32.500 -0.342 0.000 0.808 237 K HN 0.375 nan 8.250 nan 0.000 0.505 238 Y N 1.466 121.843 120.300 0.127 0.000 2.453 238 Y HA 0.506 5.056 4.550 -0.000 0.000 0.326 238 Y C 0.496 176.502 175.900 0.178 0.000 1.186 238 Y CA -0.738 57.476 58.100 0.190 0.000 1.200 238 Y CB 1.265 39.855 38.460 0.216 0.000 1.247 238 Y HN -0.024 nan 8.280 nan 0.000 0.482 239 K N 0.391 120.901 120.400 0.183 0.000 2.371 239 K HA 0.320 4.640 4.320 -0.000 0.000 0.251 239 K C -0.076 176.189 176.600 -0.558 0.000 0.934 239 K CA -0.880 55.308 56.287 -0.166 0.000 0.798 239 K CB 0.460 32.933 32.500 -0.045 0.000 1.204 239 K HN 0.831 nan 8.250 nan 0.000 0.427 240 Y N 1.305 120.723 120.300 -1.470 0.000 2.181 240 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 240 Y C 1.978 177.812 175.900 -0.110 0.000 1.179 240 Y CA 3.284 60.666 58.100 -1.196 0.000 1.179 240 Y CB 0.105 38.040 38.460 -0.876 0.000 0.973 240 Y HN 0.681 nan 8.280 nan 0.000 0.519 241 E N -0.510 119.640 120.200 -0.084 0.000 2.516 241 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 241 E C 1.272 177.869 176.600 -0.006 0.000 1.069 241 E CA 0.811 57.196 56.400 -0.026 0.000 0.876 241 E CB -0.476 29.234 29.700 0.017 0.000 0.843 241 E HN 0.647 nan 8.360 nan 0.000 0.530 242 D N 0.964 121.424 120.400 0.099 0.000 2.224 242 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 242 D C 2.112 178.358 176.300 -0.091 0.000 0.965 242 D CA 1.532 55.572 54.000 0.067 0.000 0.852 242 D CB -0.318 40.638 40.800 0.259 0.000 0.947 242 D HN 0.480 nan 8.370 nan 0.000 0.494 243 K N 0.670 121.054 120.400 -0.026 0.000 2.152 243 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 243 K C 1.232 177.762 176.600 -0.117 0.000 1.048 243 K CA 1.258 57.466 56.287 -0.133 0.000 0.933 243 K CB -0.658 31.649 32.500 -0.321 0.000 0.721 243 K HN 0.154 nan 8.250 nan 0.000 0.447 244 D N -0.290 120.048 120.400 -0.104 0.000 2.305 244 D HA 0.189 4.829 4.640 -0.000 0.000 0.206 244 D C 1.636 177.888 176.300 -0.080 0.000 0.974 244 D CA 1.275 55.230 54.000 -0.074 0.000 0.871 244 D CB 0.447 41.220 40.800 -0.046 0.000 0.947 244 D HN 0.559 nan 8.370 nan 0.000 0.516 245 G N 0.274 109.011 108.800 -0.105 0.000 2.465 245 G HA2 0.150 4.109 3.960 -0.000 0.000 0.178 245 G HA3 0.150 4.109 3.960 -0.000 0.000 0.178 245 G C 1.609 176.422 174.900 -0.145 0.000 1.591 245 G CA 0.676 45.717 45.100 -0.098 0.000 0.689 245 G HN 0.231 nan 8.290 nan 0.000 0.708 246 K N 0.282 120.592 120.400 -0.149 0.000 2.057 246 K HA 0.009 4.329 4.320 -0.000 0.000 0.207 246 K C 1.227 177.652 176.600 -0.291 0.000 1.049 246 K CA 1.795 57.986 56.287 -0.159 0.000 0.931 246 K CB -1.265 31.180 32.500 -0.092 0.000 0.714 246 K HN 0.602 nan 8.250 nan 0.000 0.440 247 Q N 0.458 119.911 119.800 -0.579 0.000 2.426 247 Q HA -0.108 4.232 4.340 -0.000 0.000 0.359 247 Q C -2.220 173.363 176.000 -0.695 0.000 1.381 247 Q CA 0.115 55.209 55.803 -1.181 0.000 1.060 247 Q CB -1.540 26.778 28.738 -0.700 0.000 1.253 247 Q HN 0.570 nan 8.270 nan 0.000 0.363 248 P HA 0.145 nan 4.420 nan 0.000 0.276 248 P C 0.318 177.737 177.300 0.198 0.000 1.264 248 P CA 0.231 63.332 63.100 0.001 0.000 0.769 248 P CB 0.494 32.286 31.700 0.154 0.000 0.840 249 V N 3.403 123.402 119.914 0.142 0.000 2.536 249 V HA 0.290 4.410 4.120 -0.000 0.000 0.287 249 V C 1.091 177.326 176.094 0.236 0.000 0.979 249 V CA 1.554 63.964 62.300 0.182 0.000 1.161 249 V CB -1.120 30.765 31.823 0.103 0.000 0.915 249 V HN 0.821 nan 8.190 nan 0.000 0.467 250 G N 3.466 112.446 108.800 0.301 0.000 2.677 250 G HA2 0.425 4.385 3.960 -0.000 0.000 0.283 250 G HA3 0.425 4.385 3.960 -0.000 0.000 0.283 250 G C 0.472 175.487 174.900 0.191 0.000 1.221 250 G CA 0.184 45.461 45.100 0.294 0.000 0.851 250 G HN 0.792 nan 8.290 nan 0.000 0.504 251 R N -0.636 119.964 120.500 0.166 0.000 2.120 251 R HA 0.145 4.485 4.340 -0.000 0.000 0.234 251 R C 1.656 177.760 176.300 -0.327 0.000 1.123 251 R CA 1.925 57.931 56.100 -0.156 0.000 0.975 251 R CB -0.628 29.495 30.300 -0.296 0.000 0.866 251 R HN 0.372 nan 8.270 nan 0.000 0.446 252 F N -1.573 118.291 119.950 -0.144 0.000 2.727 252 F HA 0.335 4.862 4.527 -0.000 0.000 0.302 252 F C -0.339 174.884 175.800 -0.962 0.000 1.097 252 F CA -0.180 57.516 58.000 -0.506 0.000 1.330 252 F CB 0.450 39.045 39.000 -0.675 0.000 1.084 252 F HN -0.193 nan 8.300 nan 0.000 0.578 253 F N -0.431 119.565 119.950 0.076 0.000 2.588 253 F HA 0.547 5.074 4.527 -0.000 0.000 0.314 253 F C 0.635 176.444 175.800 0.016 0.000 1.134 253 F CA -1.585 56.423 58.000 0.012 0.000 0.961 253 F CB 1.733 40.738 39.000 0.008 0.000 1.239 253 F HN -0.109 nan 8.300 nan 0.000 0.448 254 G N 2.318 111.215 108.800 0.161 0.000 2.225 254 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 254 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 254 G C -0.758 174.171 174.900 0.049 0.000 1.060 254 G CA 0.302 45.456 45.100 0.092 0.000 0.833 254 G HN 1.106 nan 8.290 nan 0.000 0.498 255 N N -3.188 115.526 118.700 0.024 0.000 2.732 255 N HA 0.638 5.378 4.740 -0.000 0.000 0.259 255 N C 0.927 176.407 175.510 -0.049 0.000 1.402 255 N CA -0.127 52.928 53.050 0.008 0.000 0.829 255 N CB 0.286 38.805 38.487 0.052 0.000 1.495 255 N HN -0.118 nan 8.380 nan 0.000 0.511 256 T N -0.972 113.511 114.554 -0.119 0.000 2.685 256 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 256 T C 0.297 174.710 174.700 -0.480 0.000 1.034 256 T CA 1.778 63.654 62.100 -0.374 0.000 1.149 256 T CB -0.383 68.139 68.868 -0.576 0.000 0.860 256 T HN 0.613 nan 8.240 nan 0.000 0.449 257 W N 0.737 122.038 121.300 0.001 0.000 3.278 257 W HA 0.634 5.294 4.660 -0.000 0.000 0.308 257 W C 2.252 178.782 176.519 0.018 0.000 1.253 257 W CA -0.299 57.067 57.345 0.034 0.000 1.759 257 W CB -0.401 29.119 29.460 0.099 0.000 1.093 257 W HN 0.199 nan 8.180 nan 0.000 0.648 258 A N 0.975 123.843 122.820 0.079 0.000 1.884 258 A HA -0.337 3.982 4.320 -0.000 0.000 0.219 258 A C 1.877 179.423 177.584 -0.064 0.000 1.197 258 A CA 2.379 54.386 52.037 -0.051 0.000 0.637 258 A CB -0.762 18.181 19.000 -0.095 0.000 0.827 258 A HN 0.417 nan 8.150 nan 0.000 0.450 259 E N -0.933 119.236 120.200 -0.051 0.000 2.106 259 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 259 E C 2.028 178.623 176.600 -0.010 0.000 0.984 259 E CA 1.256 57.622 56.400 -0.057 0.000 0.806 259 E CB -0.224 29.439 29.700 -0.062 0.000 0.750 259 E HN 0.658 nan 8.360 nan 0.000 0.458 260 M N -0.469 119.157 119.600 0.043 0.000 2.080 260 M HA -0.226 4.254 4.480 -0.000 0.000 0.260 260 M C 1.562 177.818 176.300 -0.075 0.000 1.068 260 M CA 1.649 56.959 55.300 0.018 0.000 1.109 260 M CB -0.188 32.485 32.600 0.122 0.000 1.342 260 M HN 0.218 nan 8.290 nan 0.000 0.405 261 Y N 0.283 120.535 120.300 -0.080 0.000 2.293 261 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 261 Y C 2.497 178.418 175.900 0.035 0.000 1.137 261 Y CA 1.596 59.594 58.100 -0.171 0.000 1.202 261 Y CB -0.231 37.907 38.460 -0.536 0.000 0.990 261 Y HN 0.250 nan 8.280 nan 0.000 0.537 262 R N -0.116 120.489 120.500 0.176 0.000 2.066 262 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 262 R C 1.763 178.177 176.300 0.190 0.000 1.131 262 R CA 1.416 57.665 56.100 0.248 0.000 0.955 262 R CB -0.315 29.959 30.300 -0.043 0.000 0.851 262 R HN 0.356 nan 8.270 nan 0.000 0.432 263 N N 0.526 119.261 118.700 0.059 0.000 2.289 263 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 263 N C 1.646 177.133 175.510 -0.039 0.000 1.016 263 N CA 0.911 53.973 53.050 0.021 0.000 0.872 263 N CB -0.137 38.339 38.487 -0.018 0.000 0.973 263 N HN 0.264 nan 8.380 nan 0.000 0.433 264 R N -0.525 119.896 120.500 -0.132 0.000 2.052 264 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 264 R C 1.100 177.179 176.300 -0.368 0.000 1.145 264 R CA 1.218 57.096 56.100 -0.370 0.000 0.952 264 R CB 0.047 29.920 30.300 -0.712 0.000 0.847 264 R HN 0.257 nan 8.270 nan 0.000 0.431 265 Y N -2.798 117.546 120.300 0.073 0.000 2.467 265 Y HA 0.099 4.649 4.550 -0.000 0.000 0.259 265 Y C 0.599 176.351 175.900 -0.247 0.000 1.084 265 Y CA -0.900 57.106 58.100 -0.155 0.000 1.275 265 Y CB 0.475 39.035 38.460 0.167 0.000 1.208 265 Y HN 0.170 nan 8.280 nan 0.000 0.511 266 W N 3.835 125.189 121.300 0.091 0.000 1.438 266 W HA 0.349 5.009 4.660 -0.000 0.000 0.455 266 W C -0.314 176.375 176.519 0.284 0.000 0.656 266 W CA 0.104 57.552 57.345 0.171 0.000 2.049 266 W CB -0.551 29.011 29.460 0.170 0.000 1.683 266 W HN -0.119 nan 8.180 nan 0.000 0.228 267 K N 0.179 120.744 120.400 0.274 0.000 2.221 267 K HA 0.546 4.866 4.320 -0.000 0.000 0.243 267 K C 0.947 177.741 176.600 0.324 0.000 0.968 267 K CA 0.341 56.849 56.287 0.368 0.000 0.846 267 K CB 0.521 33.215 32.500 0.322 0.000 1.141 267 K HN 0.304 nan 8.250 nan 0.000 0.434 268 E N 0.149 120.354 120.200 0.008 0.000 2.051 268 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 268 E C 1.703 178.255 176.600 -0.080 0.000 0.991 268 E CA 1.944 58.124 56.400 -0.365 0.000 0.799 268 E CB -0.827 28.503 29.700 -0.616 0.000 0.748 268 E HN 0.721 nan 8.360 nan 0.000 0.449 269 H N -0.668 118.448 119.070 0.075 0.000 2.456 269 H HA -0.055 4.501 4.556 -0.000 0.000 0.296 269 H C 2.075 177.425 175.328 0.036 0.000 1.079 269 H CA 1.604 57.691 56.048 0.065 0.000 1.322 269 H CB -0.081 29.736 29.762 0.092 0.000 1.388 269 H HN 0.627 nan 8.280 nan 0.000 0.538 270 H N -0.692 118.435 119.070 0.095 0.000 2.357 270 H HA -0.067 4.488 4.556 -0.000 0.000 0.301 270 H C 1.903 177.139 175.328 -0.154 0.000 1.082 270 H CA 1.274 57.292 56.048 -0.050 0.000 1.342 270 H CB -0.356 29.318 29.762 -0.147 0.000 1.389 270 H HN 0.205 nan 8.280 nan 0.000 0.511 271 F N 0.914 120.885 119.950 0.035 0.000 2.234 271 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 271 F C 2.287 178.061 175.800 -0.044 0.000 1.087 271 F CA 0.970 58.941 58.000 -0.049 0.000 1.340 271 F CB -0.121 38.821 39.000 -0.096 0.000 1.031 271 F HN 0.218 nan 8.300 nan 0.000 0.500 272 E N -0.057 120.215 120.200 0.121 0.000 2.058 272 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 272 E C 2.609 179.225 176.600 0.025 0.000 0.997 272 E CA 1.186 57.622 56.400 0.060 0.000 0.801 272 E CB -0.686 29.057 29.700 0.072 0.000 0.746 272 E HN 0.473 nan 8.360 nan 0.000 0.450 273 G N 0.978 109.782 108.800 0.006 0.000 2.408 273 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 273 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 273 G C 1.589 176.446 174.900 -0.072 0.000 1.150 273 G CA 0.486 45.563 45.100 -0.039 0.000 0.776 273 G HN 0.119 nan 8.290 nan 0.000 0.542 274 I N 1.350 121.880 120.570 -0.067 0.000 2.226 274 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 274 I C 3.278 179.353 176.117 -0.069 0.000 1.100 274 I CA 0.946 62.197 61.300 -0.081 0.000 1.374 274 I CB -0.153 37.799 38.000 -0.081 0.000 1.057 274 I HN 0.238 nan 8.210 nan 0.000 0.413 275 A N 0.617 123.424 122.820 -0.022 0.000 1.908 275 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 275 A C 2.368 179.919 177.584 -0.054 0.000 1.181 275 A CA 1.544 53.569 52.037 -0.020 0.000 0.627 275 A CB -0.925 18.082 19.000 0.010 0.000 0.818 275 A HN 0.439 nan 8.150 nan 0.000 0.445 276 L N -0.514 120.671 121.223 -0.064 0.000 2.042 276 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 276 L C 2.474 179.259 176.870 -0.141 0.000 1.076 276 L CA 1.395 56.186 54.840 -0.081 0.000 0.749 276 L CB -0.158 41.861 42.059 -0.068 0.000 0.893 276 L HN 0.252 nan 8.230 nan 0.000 0.432 277 V N -0.305 119.477 119.914 -0.221 0.000 2.379 277 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 277 V C 2.307 178.246 176.094 -0.259 0.000 1.044 277 V CA 1.851 63.930 62.300 -0.368 0.000 1.036 277 V CB -0.359 31.074 31.823 -0.651 0.000 0.664 277 V HN 0.478 nan 8.190 nan 0.000 0.453 278 E N 0.284 120.380 120.200 -0.173 0.000 2.110 278 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 278 E C 2.472 179.020 176.600 -0.086 0.000 0.988 278 E CA 1.740 58.071 56.400 -0.115 0.000 0.804 278 E CB -0.230 29.428 29.700 -0.071 0.000 0.745 278 E HN 0.681 nan 8.360 nan 0.000 0.458 279 K N 0.853 121.208 120.400 -0.074 0.000 2.057 279 K HA 0.076 4.396 4.320 -0.000 0.000 0.206 279 K C 2.098 178.670 176.600 -0.047 0.000 1.050 279 K CA 1.246 57.504 56.287 -0.048 0.000 0.935 279 K CB -0.901 31.576 32.500 -0.037 0.000 0.715 279 K HN 0.205 nan 8.250 nan 0.000 0.439 280 A N 0.631 123.407 122.820 -0.075 0.000 1.969 280 A HA 0.094 4.413 4.320 -0.000 0.000 0.218 280 A C 2.426 179.989 177.584 -0.035 0.000 1.169 280 A CA 1.298 53.300 52.037 -0.059 0.000 0.635 280 A CB -0.289 18.652 19.000 -0.099 0.000 0.810 280 A HN 0.431 nan 8.150 nan 0.000 0.445 281 L N -1.156 120.017 121.223 -0.085 0.000 2.005 281 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 281 L C 3.157 180.030 176.870 0.006 0.000 1.072 281 L CA 1.613 56.398 54.840 -0.092 0.000 0.744 281 L CB -0.725 41.229 42.059 -0.175 0.000 0.895 281 L HN 0.413 nan 8.230 nan 0.000 0.433 282 Q N -0.749 119.048 119.800 -0.005 0.000 2.135 282 Q HA -0.187 4.152 4.340 -0.000 0.000 0.204 282 Q C 2.347 178.379 176.000 0.053 0.000 0.981 282 Q CA 1.290 57.109 55.803 0.027 0.000 0.856 282 Q CB -0.739 28.003 28.738 0.006 0.000 0.902 282 Q HN 0.710 nan 8.270 nan 0.000 0.425 283 A N 0.418 123.263 122.820 0.042 0.000 1.877 283 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 283 A C 2.305 179.929 177.584 0.067 0.000 1.186 283 A CA 1.828 53.890 52.037 0.042 0.000 0.620 283 A CB -0.748 18.266 19.000 0.024 0.000 0.822 283 A HN 0.565 nan 8.150 nan 0.000 0.443 284 A N -3.109 119.786 122.820 0.125 0.000 2.147 284 A HA 0.337 4.656 4.320 -0.000 0.000 0.211 284 A C 1.685 179.346 177.584 0.128 0.000 1.160 284 A CA 0.926 53.044 52.037 0.135 0.000 0.781 284 A CB -0.200 18.916 19.000 0.194 0.000 0.842 284 A HN 0.532 nan 8.150 nan 0.000 0.475 285 Y N -1.632 118.665 120.300 -0.005 0.000 2.512 285 Y HA 0.387 4.937 4.550 -0.000 0.000 0.268 285 Y C 1.851 177.751 175.900 -0.001 0.000 1.102 285 Y CA 0.047 58.147 58.100 -0.000 0.000 1.261 285 Y CB 0.087 38.549 38.460 0.003 0.000 1.250 285 Y HN 0.449 nan 8.280 nan 0.000 0.506 286 G N 1.153 110.045 108.800 0.153 0.000 2.531 286 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.274 286 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.274 286 G C 1.452 176.395 174.900 0.071 0.000 1.159 286 G CA 0.699 45.848 45.100 0.081 0.000 0.969 286 G HN 0.641 nan 8.290 nan 0.000 0.554 287 A N -0.754 122.098 122.820 0.053 0.000 1.933 287 A HA 0.366 4.686 4.320 -0.000 0.000 0.218 287 A C 2.860 180.478 177.584 0.056 0.000 1.175 287 A CA 3.118 55.181 52.037 0.043 0.000 0.628 287 A CB -1.074 17.944 19.000 0.031 0.000 0.814 287 A HN 2.422 nan 8.150 nan 0.000 0.444 288 S N -0.370 115.378 115.700 0.081 0.000 2.720 288 S HA 0.571 5.041 4.470 -0.000 0.000 0.222 288 S C 0.911 175.601 174.600 0.150 0.000 0.958 288 S CA 0.477 58.739 58.200 0.103 0.000 0.943 288 S CB -0.811 62.452 63.200 0.104 0.000 0.779 288 S HN 0.967 nan 8.310 nan 0.000 0.526 289 A N 2.897 125.787 122.820 0.118 0.000 2.511 289 A HA 0.524 4.843 4.320 -0.000 0.000 0.242 289 A C -1.735 175.829 177.584 -0.033 0.000 1.069 289 A CA -0.916 51.144 52.037 0.038 0.000 0.763 289 A CB -0.108 18.893 19.000 0.003 0.000 1.001 289 A HN 0.394 nan 8.150 nan 0.000 0.498 290 P HA 0.262 nan 4.420 nan 0.000 0.276 290 P C 0.066 177.322 177.300 -0.073 0.000 1.244 290 P CA -0.348 62.704 63.100 -0.079 0.000 0.801 290 P CB 0.865 32.504 31.700 -0.102 0.000 1.006 291 S N 0.881 116.563 115.700 -0.030 0.000 2.573 291 S HA 0.051 4.521 4.470 -0.000 0.000 0.277 291 S C 1.196 175.788 174.600 -0.015 0.000 1.346 291 S CA -0.309 57.880 58.200 -0.019 0.000 1.034 291 S CB -0.044 63.156 63.200 -0.000 0.000 0.879 291 S HN 0.632 nan 8.310 nan 0.000 0.528 292 M N 0.354 119.949 119.600 -0.010 0.000 2.495 292 M HA 0.162 4.642 4.480 -0.000 0.000 0.237 292 M C 1.121 177.458 176.300 0.062 0.000 1.131 292 M CA 0.214 55.525 55.300 0.018 0.000 1.032 292 M CB -0.689 31.899 32.600 -0.019 0.000 1.513 292 M HN 0.620 nan 8.290 nan 0.000 0.488 293 T N 0.305 114.885 114.554 0.043 0.000 2.684 293 T HA -0.145 4.204 4.350 -0.000 0.000 0.267 293 T C 1.959 176.707 174.700 0.081 0.000 1.036 293 T CA 2.131 64.266 62.100 0.057 0.000 1.148 293 T CB -0.289 68.604 68.868 0.042 0.000 0.863 293 T HN 0.607 nan 8.240 nan 0.000 0.436 294 S N 0.642 116.383 115.700 0.068 0.000 2.355 294 S HA -0.040 4.430 4.470 -0.000 0.000 0.222 294 S C 2.436 177.110 174.600 0.123 0.000 1.031 294 S CA 1.249 59.498 58.200 0.081 0.000 0.993 294 S CB -0.611 62.618 63.200 0.048 0.000 0.859 294 S HN 0.516 nan 8.310 nan 0.000 0.453 295 A N 0.561 123.454 122.820 0.120 0.000 1.883 295 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 295 A C 2.361 180.136 177.584 0.318 0.000 1.186 295 A CA 2.427 54.592 52.037 0.214 0.000 0.624 295 A CB -1.607 17.498 19.000 0.176 0.000 0.822 295 A HN 0.582 nan 8.150 nan 0.000 0.444 296 T N 0.380 115.093 114.554 0.265 0.000 2.746 296 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 296 T C 1.828 176.582 174.700 0.091 0.000 1.039 296 T CA 1.476 63.640 62.100 0.105 0.000 1.142 296 T CB -0.373 68.538 68.868 0.072 0.000 0.866 296 T HN 0.359 nan 8.240 nan 0.000 0.444 297 L N 0.293 121.612 121.223 0.159 0.000 2.056 297 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 297 L C 2.853 179.935 176.870 0.353 0.000 1.078 297 L CA 1.369 56.351 54.840 0.237 0.000 0.749 297 L CB -0.420 41.789 42.059 0.250 0.000 0.901 297 L HN 0.147 nan 8.230 nan 0.000 0.433 298 R N -1.208 119.486 120.500 0.323 0.000 2.152 298 R HA -0.233 4.106 4.340 -0.000 0.000 0.232 298 R C 2.011 178.565 176.300 0.423 0.000 1.117 298 R CA 1.778 58.118 56.100 0.400 0.000 0.981 298 R CB -0.450 30.057 30.300 0.344 0.000 0.870 298 R HN 0.428 nan 8.270 nan 0.000 0.451 299 W N 0.848 122.208 121.300 0.100 0.000 2.358 299 W HA -0.176 4.484 4.660 -0.000 0.000 0.303 299 W C 1.840 178.320 176.519 -0.064 0.000 1.208 299 W CA 1.238 58.567 57.345 -0.027 0.000 1.274 299 W CB 0.055 29.178 29.460 -0.562 0.000 1.138 299 W HN -0.058 nan 8.180 nan 0.000 0.515 300 M N -0.774 118.912 119.600 0.144 0.000 2.099 300 M HA -0.214 4.266 4.480 -0.000 0.000 0.262 300 M C 1.878 178.007 176.300 -0.286 0.000 1.067 300 M CA 1.755 56.974 55.300 -0.134 0.000 1.124 300 M CB -1.777 30.732 32.600 -0.152 0.000 1.353 300 M HN 0.113 nan 8.290 nan 0.000 0.410 301 Y N -0.705 119.518 120.300 -0.128 0.000 2.200 301 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 301 Y C 2.610 178.248 175.900 -0.436 0.000 1.137 301 Y CA 1.366 59.306 58.100 -0.268 0.000 1.163 301 Y CB -0.354 37.923 38.460 -0.305 0.000 0.988 301 Y HN 0.354 nan 8.280 nan 0.000 0.518 302 H N -3.059 115.958 119.070 -0.087 0.000 2.545 302 H HA 0.175 4.730 4.556 -0.000 0.000 0.283 302 H C 0.853 175.804 175.328 -0.628 0.000 0.997 302 H CA 0.961 56.801 56.048 -0.346 0.000 1.269 302 H CB 0.401 29.914 29.762 -0.416 0.000 1.451 302 H HN 0.418 nan 8.280 nan 0.000 0.508 303 H N 0.276 119.136 119.070 -0.351 0.000 2.784 303 H HA 0.185 4.741 4.556 -0.000 0.000 0.273 303 H C 1.004 175.747 175.328 -0.975 0.000 1.112 303 H CA 0.130 55.837 56.048 -0.569 0.000 1.162 303 H CB 1.141 30.557 29.762 -0.576 0.000 1.586 303 H HN 0.161 nan 8.280 nan 0.000 0.548 304 S N 0.274 115.404 115.700 -0.950 0.000 2.646 304 S HA 0.086 4.556 4.470 -0.000 0.000 0.273 304 S C 1.220 175.640 174.600 -0.301 0.000 1.168 304 S CA -0.611 57.034 58.200 -0.925 0.000 1.013 304 S CB 1.509 64.225 63.200 -0.808 0.000 1.098 304 S HN 0.099 nan 8.310 nan 0.000 0.544 305 Q N -0.212 119.563 119.800 -0.042 0.000 2.403 305 Q HA 0.289 4.629 4.340 -0.000 0.000 0.203 305 Q C 0.079 176.214 176.000 0.224 0.000 0.932 305 Q CA 0.023 55.873 55.803 0.079 0.000 0.945 305 Q CB -0.450 28.288 28.738 0.000 0.000 1.045 305 Q HN 0.567 nan 8.270 nan 0.000 0.511 306 L N 1.725 123.077 121.223 0.215 0.000 2.485 306 L HA -0.020 4.320 4.340 -0.000 0.000 0.275 306 L C 0.328 177.239 176.870 0.068 0.000 1.207 306 L CA 0.721 55.671 54.840 0.183 0.000 0.855 306 L CB 0.219 42.359 42.059 0.135 0.000 1.114 306 L HN -0.002 nan 8.230 nan 0.000 0.485 307 Q N 1.253 121.096 119.800 0.073 0.000 2.294 307 Q HA 0.193 4.532 4.340 -0.000 0.000 0.264 307 Q C 0.843 176.825 176.000 -0.031 0.000 0.992 307 Q CA -0.248 55.543 55.803 -0.021 0.000 0.747 307 Q CB 1.981 30.662 28.738 -0.096 0.000 1.262 307 Q HN 0.855 nan 8.270 nan 0.000 0.452 308 G N 1.906 110.684 108.800 -0.036 0.000 2.505 308 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.220 308 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.220 308 G C 1.321 176.198 174.900 -0.038 0.000 1.145 308 G CA 1.271 46.365 45.100 -0.011 0.000 0.761 308 G HN 0.706 nan 8.290 nan 0.000 0.571 309 A N 0.591 123.332 122.820 -0.132 0.000 1.940 309 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 309 A C 2.026 179.529 177.584 -0.136 0.000 1.190 309 A CA 2.084 54.007 52.037 -0.190 0.000 0.647 309 A CB -0.777 18.018 19.000 -0.342 0.000 0.821 309 A HN 0.651 nan 8.150 nan 0.000 0.457 310 H N -2.058 117.031 119.070 0.033 0.000 2.539 310 H HA 0.382 4.938 4.556 -0.000 0.000 0.269 310 H C 1.420 176.786 175.328 0.064 0.000 0.980 310 H CA 0.168 56.237 56.048 0.035 0.000 1.152 310 H CB 0.256 30.028 29.762 0.017 0.000 1.407 310 H HN 0.702 nan 8.280 nan 0.000 0.564 311 G N 1.078 109.973 108.800 0.159 0.000 2.132 311 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.234 311 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.234 311 G C -0.441 174.603 174.900 0.240 0.000 0.989 311 G CA 0.010 45.214 45.100 0.175 0.000 0.676 311 G HN 0.326 nan 8.290 nan 0.000 0.522 312 D N 0.603 121.134 120.400 0.217 0.000 2.378 312 D HA 0.604 5.244 4.640 -0.000 0.000 0.238 312 D C 0.709 177.111 176.300 0.170 0.000 1.180 312 D CA 1.282 55.443 54.000 0.268 0.000 0.895 312 D CB 1.324 42.263 40.800 0.231 0.000 1.192 312 D HN 0.995 nan 8.370 nan 0.000 0.438 313 A N 0.553 123.452 122.820 0.132 0.000 2.566 313 A HA 0.616 4.936 4.320 -0.000 0.000 0.292 313 A C -1.227 176.307 177.584 -0.083 0.000 1.112 313 A CA -0.688 51.277 52.037 -0.120 0.000 0.707 313 A CB 1.528 20.186 19.000 -0.569 0.000 1.302 313 A HN 0.271 nan 8.150 nan 0.000 0.409 314 V N 1.523 121.344 119.914 -0.157 0.000 2.417 314 V HA 0.370 4.490 4.120 -0.000 0.000 0.291 314 V C -0.457 175.599 176.094 -0.063 0.000 1.024 314 V CA -0.176 62.045 62.300 -0.132 0.000 0.861 314 V CB 1.315 32.914 31.823 -0.373 0.000 0.985 314 V HN 0.645 nan 8.190 nan 0.000 0.436 315 I N 6.016 126.584 120.570 -0.003 0.000 2.301 315 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 315 I C -0.137 176.001 176.117 0.035 0.000 1.046 315 I CA -0.132 61.174 61.300 0.010 0.000 1.282 315 I CB 0.715 38.747 38.000 0.054 0.000 1.409 315 I HN 0.357 nan 8.210 nan 0.000 0.484 316 L N 5.840 127.074 121.223 0.020 0.000 2.349 316 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 316 L C 0.831 177.702 176.870 0.003 0.000 1.115 316 L CA -0.226 54.637 54.840 0.038 0.000 0.820 316 L CB 1.053 43.151 42.059 0.065 0.000 1.135 316 L HN 0.647 nan 8.230 nan 0.000 0.445 317 G N 4.563 113.375 108.800 0.020 0.000 2.417 317 G HA2 0.778 4.738 3.960 -0.000 0.000 0.334 317 G HA3 0.778 4.738 3.960 -0.000 0.000 0.334 317 G C -0.766 174.134 174.900 0.001 0.000 1.150 317 G CA -0.452 44.644 45.100 -0.007 0.000 0.923 317 G HN 0.444 nan 8.290 nan 0.000 0.485 318 M N 0.043 119.631 119.600 -0.021 0.000 2.605 318 M HA 0.402 4.882 4.480 -0.000 0.000 0.281 318 M C -0.543 175.746 176.300 -0.018 0.000 1.166 318 M CA -0.843 54.454 55.300 -0.004 0.000 0.875 318 M CB 1.006 33.610 32.600 0.005 0.000 1.732 318 M HN 0.600 nan 8.290 nan 0.000 0.504 319 S N -0.104 115.597 115.700 0.001 0.000 2.559 319 S HA 0.463 4.933 4.470 -0.000 0.000 0.226 319 S C 0.385 174.990 174.600 0.007 0.000 1.000 319 S CA 0.379 58.578 58.200 -0.001 0.000 0.948 319 S CB -0.321 62.887 63.200 0.013 0.000 0.870 319 S HN 1.286 nan 8.310 nan 0.000 0.497 320 S N 0.054 115.761 115.700 0.012 0.000 2.625 320 S HA 0.598 5.068 4.470 -0.000 0.000 0.271 320 S C 0.117 174.729 174.600 0.020 0.000 1.161 320 S CA -0.774 57.436 58.200 0.016 0.000 0.820 320 S CB 0.918 64.130 63.200 0.020 0.000 1.137 320 S HN 0.083 nan 8.310 nan 0.000 0.470 321 L N 1.528 122.765 121.223 0.023 0.000 2.072 321 L HA 0.251 4.591 4.340 -0.000 0.000 0.205 321 L C 2.893 179.783 176.870 0.033 0.000 1.079 321 L CA 2.828 57.686 54.840 0.030 0.000 0.752 321 L CB -1.416 40.661 42.059 0.030 0.000 0.906 321 L HN 1.050 nan 8.230 nan 0.000 0.436 322 E N -0.675 119.541 120.200 0.027 0.000 2.160 322 E HA -0.299 4.050 4.350 -0.000 0.000 0.195 322 E C 2.011 178.629 176.600 0.029 0.000 0.991 322 E CA 1.817 58.233 56.400 0.027 0.000 0.810 322 E CB -0.828 28.884 29.700 0.021 0.000 0.742 322 E HN 0.801 nan 8.360 nan 0.000 0.466 323 Q N -1.244 118.574 119.800 0.030 0.000 2.083 323 Q HA 0.017 4.357 4.340 -0.000 0.000 0.198 323 Q C 2.420 178.446 176.000 0.042 0.000 0.969 323 Q CA 1.245 57.068 55.803 0.034 0.000 0.838 323 Q CB -0.124 28.633 28.738 0.032 0.000 0.900 323 Q HN 0.525 nan 8.270 nan 0.000 0.436 324 L N 1.489 122.739 121.223 0.045 0.000 2.005 324 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 324 L C 2.407 179.320 176.870 0.070 0.000 1.072 324 L CA 2.722 57.599 54.840 0.062 0.000 0.744 324 L CB -0.973 41.127 42.059 0.068 0.000 0.895 324 L HN 0.238 nan 8.230 nan 0.000 0.433 325 E N -0.502 119.735 120.200 0.061 0.000 2.085 325 E HA -0.357 3.993 4.350 -0.000 0.000 0.194 325 E C 2.163 178.792 176.600 0.047 0.000 0.994 325 E CA 1.753 58.186 56.400 0.055 0.000 0.801 325 E CB -1.016 28.710 29.700 0.044 0.000 0.743 325 E HN 0.784 nan 8.360 nan 0.000 0.453 326 Q N -0.115 119.711 119.800 0.043 0.000 2.096 326 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 326 Q C 2.040 178.067 176.000 0.046 0.000 0.982 326 Q CA 1.865 57.692 55.803 0.039 0.000 0.850 326 Q CB -0.061 28.698 28.738 0.034 0.000 0.901 326 Q HN 0.533 nan 8.270 nan 0.000 0.422 327 N N 0.148 118.882 118.700 0.056 0.000 2.207 327 N HA -0.073 4.667 4.740 -0.000 0.000 0.182 327 N C 1.834 177.380 175.510 0.060 0.000 1.020 327 N CA 0.794 53.885 53.050 0.067 0.000 0.858 327 N CB -0.251 38.283 38.487 0.078 0.000 0.991 327 N HN 0.243 nan 8.380 nan 0.000 0.427 328 L N 0.870 122.132 121.223 0.065 0.000 2.127 328 L HA -0.141 4.198 4.340 -0.000 0.000 0.211 328 L C 2.328 179.213 176.870 0.026 0.000 1.089 328 L CA 1.013 55.889 54.840 0.060 0.000 0.757 328 L CB -0.415 41.706 42.059 0.102 0.000 0.899 328 L HN 0.126 nan 8.230 nan 0.000 0.434 329 A N 0.011 122.847 122.820 0.027 0.000 1.858 329 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 329 A C 2.539 180.124 177.584 0.000 0.000 1.190 329 A CA 1.723 53.769 52.037 0.015 0.000 0.617 329 A CB -0.813 18.201 19.000 0.024 0.000 0.827 329 A HN 0.391 nan 8.150 nan 0.000 0.443 330 A N -0.177 122.650 122.820 0.013 0.000 1.978 330 A HA 0.108 4.428 4.320 -0.000 0.000 0.220 330 A C 2.467 180.017 177.584 -0.057 0.000 1.170 330 A CA 2.176 54.225 52.037 0.020 0.000 0.636 330 A CB -0.991 18.046 19.000 0.062 0.000 0.810 330 A HN 1.115 nan 8.150 nan 0.000 0.448 331 A N -0.107 122.611 122.820 -0.170 0.000 1.908 331 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 331 A C 1.905 179.195 177.584 -0.490 0.000 1.181 331 A CA 1.721 53.395 52.037 -0.605 0.000 0.627 331 A CB -0.491 18.211 19.000 -0.498 0.000 0.818 331 A HN 0.654 nan 8.150 nan 0.000 0.445 332 E N 0.056 120.139 120.200 -0.196 0.000 2.371 332 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 332 E C 0.247 176.842 176.600 -0.009 0.000 1.012 332 E CA -0.117 56.226 56.400 -0.094 0.000 0.860 332 E CB 0.040 29.712 29.700 -0.046 0.000 0.811 332 E HN 0.701 nan 8.360 nan 0.000 0.502 333 E N 0.593 120.801 120.200 0.013 0.000 2.438 333 E HA 0.105 4.455 4.350 -0.000 0.000 0.261 333 E C 0.436 177.120 176.600 0.141 0.000 1.103 333 E CA -0.132 56.308 56.400 0.065 0.000 0.959 333 E CB 0.561 30.302 29.700 0.068 0.000 0.958 333 E HN 0.114 nan 8.360 nan 0.000 0.447 334 G N 1.462 110.291 108.800 0.047 0.000 2.525 334 G HA2 0.300 4.260 3.960 -0.000 0.000 0.287 334 G HA3 0.300 4.260 3.960 -0.000 0.000 0.287 334 G C -2.310 172.348 174.900 -0.403 0.000 1.350 334 G CA -0.885 44.126 45.100 -0.148 0.000 1.039 334 G HN 0.339 nan 8.290 nan 0.000 0.513 335 P HA 0.268 nan 4.420 nan 0.000 0.275 335 P C -0.441 176.927 177.300 0.114 0.000 1.266 335 P CA -0.281 62.599 63.100 -0.368 0.000 0.793 335 P CB 0.884 32.365 31.700 -0.364 0.000 1.074 336 L N 0.030 121.495 121.223 0.404 0.000 2.334 336 L HA 0.342 4.682 4.340 -0.000 0.000 0.270 336 L C 1.035 178.039 176.870 0.223 0.000 1.018 336 L CA -1.142 53.871 54.840 0.289 0.000 0.811 336 L CB 0.549 42.719 42.059 0.185 0.000 1.271 336 L HN 0.272 nan 8.230 nan 0.000 0.443 337 E N 1.744 122.105 120.200 0.268 0.000 2.437 337 E HA -0.019 4.331 4.350 -0.000 0.000 0.263 337 E C -1.691 174.973 176.600 0.106 0.000 1.030 337 E CA -1.196 55.296 56.400 0.152 0.000 0.934 337 E CB 0.566 30.349 29.700 0.138 0.000 0.943 337 E HN 0.336 nan 8.360 nan 0.000 0.444 338 P HA -0.123 nan 4.420 nan 0.000 0.218 338 P C 0.973 178.307 177.300 0.057 0.000 1.149 338 P CA 1.576 64.713 63.100 0.062 0.000 0.817 338 P CB 0.181 31.918 31.700 0.061 0.000 0.785 339 A N -0.563 122.292 122.820 0.059 0.000 1.972 339 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 339 A C 2.301 179.910 177.584 0.041 0.000 1.169 339 A CA 1.634 53.700 52.037 0.049 0.000 0.635 339 A CB -1.609 17.418 19.000 0.045 0.000 0.810 339 A HN 0.064 nan 8.150 nan 0.000 0.446 340 V N -0.654 119.295 119.914 0.059 0.000 2.407 340 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 340 V C 2.540 178.671 176.094 0.062 0.000 1.041 340 V CA 1.717 64.026 62.300 0.016 0.000 1.040 340 V CB -0.479 31.370 31.823 0.044 0.000 0.671 340 V HN 0.360 nan 8.190 nan 0.000 0.455 341 V N 0.353 120.327 119.914 0.100 0.000 2.469 341 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 341 V C 2.245 178.450 176.094 0.185 0.000 1.064 341 V CA 2.089 64.493 62.300 0.174 0.000 1.066 341 V CB -0.699 31.093 31.823 -0.051 0.000 0.667 341 V HN 0.575 nan 8.190 nan 0.000 0.461 342 D N 0.424 120.885 120.400 0.102 0.000 2.144 342 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 342 D C 2.243 178.574 176.300 0.051 0.000 0.984 342 D CA 1.595 55.644 54.000 0.081 0.000 0.834 342 D CB -0.238 40.597 40.800 0.059 0.000 0.955 342 D HN 0.462 nan 8.370 nan 0.000 0.465 343 A N 0.378 123.202 122.820 0.006 0.000 1.873 343 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 343 A C 2.042 179.578 177.584 -0.080 0.000 1.186 343 A CA 0.854 52.848 52.037 -0.071 0.000 0.616 343 A CB -0.928 17.978 19.000 -0.157 0.000 0.823 343 A HN 0.087 nan 8.150 nan 0.000 0.442 344 F N 0.451 120.361 119.950 -0.067 0.000 2.095 344 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 344 F C 2.240 177.963 175.800 -0.128 0.000 1.104 344 F CA 1.769 59.676 58.000 -0.155 0.000 1.232 344 F CB -0.775 38.072 39.000 -0.256 0.000 0.987 344 F HN 0.294 nan 8.300 nan 0.000 0.475 345 N N 0.047 118.834 118.700 0.145 0.000 2.104 345 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 345 N C 2.050 177.451 175.510 -0.182 0.000 1.024 345 N CA 1.926 54.981 53.050 0.008 0.000 0.853 345 N CB -0.476 38.032 38.487 0.035 0.000 1.008 345 N HN 0.388 nan 8.380 nan 0.000 0.424 346 Q N -0.082 119.678 119.800 -0.067 0.000 2.124 346 Q HA 0.088 4.428 4.340 -0.000 0.000 0.202 346 Q C 2.257 178.243 176.000 -0.023 0.000 0.977 346 Q CA 1.796 57.583 55.803 -0.027 0.000 0.850 346 Q CB -1.182 27.564 28.738 0.013 0.000 0.901 346 Q HN 0.569 nan 8.270 nan 0.000 0.429 347 A N -0.214 122.595 122.820 -0.019 0.000 1.929 347 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 347 A C 2.089 179.678 177.584 0.008 0.000 1.176 347 A CA 1.362 53.390 52.037 -0.015 0.000 0.628 347 A CB -0.851 18.133 19.000 -0.026 0.000 0.816 347 A HN 0.898 nan 8.150 nan 0.000 0.444 348 W N 0.539 121.747 121.300 -0.152 0.000 2.358 348 W HA -0.225 4.435 4.660 -0.000 0.000 0.303 348 W C 1.741 178.243 176.519 -0.029 0.000 1.208 348 W CA 1.770 59.030 57.345 -0.143 0.000 1.274 348 W CB -0.584 28.767 29.460 -0.181 0.000 1.138 348 W HN 0.630 nan 8.180 nan 0.000 0.515 349 H N 0.298 119.179 119.070 -0.316 0.000 2.456 349 H HA -0.202 4.354 4.556 -0.000 0.000 0.296 349 H C 2.183 177.308 175.328 -0.339 0.000 1.079 349 H CA 1.225 57.016 56.048 -0.429 0.000 1.322 349 H CB -0.067 29.588 29.762 -0.179 0.000 1.388 349 H HN 0.093 nan 8.280 nan 0.000 0.538 350 L N 0.759 121.914 121.223 -0.114 0.000 2.046 350 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 350 L C 2.239 179.000 176.870 -0.181 0.000 1.077 350 L CA 1.340 56.101 54.840 -0.131 0.000 0.747 350 L CB -0.159 41.867 42.059 -0.055 0.000 0.896 350 L HN 0.303 nan 8.230 nan 0.000 0.432 351 V N -4.600 115.164 119.914 -0.249 0.000 3.578 351 V HA 0.381 4.501 4.120 -0.000 0.000 0.290 351 V C 2.114 177.968 176.094 -0.400 0.000 1.376 351 V CA 0.541 62.655 62.300 -0.310 0.000 1.083 351 V CB -0.572 30.962 31.823 -0.481 0.000 0.911 351 V HN 0.220 nan 8.190 nan 0.000 0.433 352 A N 2.075 124.529 122.820 -0.609 0.000 1.940 352 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 352 A C 2.069 179.463 177.584 -0.317 0.000 1.176 352 A CA 2.433 53.959 52.037 -0.852 0.000 0.631 352 A CB -1.111 17.180 19.000 -1.183 0.000 0.814 352 A HN 1.037 nan 8.150 nan 0.000 0.446 353 H N -2.130 116.787 119.070 -0.254 0.000 2.421 353 H HA 0.265 4.820 4.556 -0.000 0.000 0.298 353 H C 1.304 176.607 175.328 -0.041 0.000 1.087 353 H CA 1.585 57.558 56.048 -0.124 0.000 1.330 353 H CB -0.285 29.396 29.762 -0.134 0.000 1.388 353 H HN 0.455 nan 8.280 nan 0.000 0.526 354 E N 1.214 120.934 120.200 -0.800 0.000 2.496 354 E HA 0.259 4.609 4.350 -0.000 0.000 0.202 354 E C -0.133 176.411 176.600 -0.093 0.000 1.021 354 E CA 0.100 56.245 56.400 -0.425 0.000 1.015 354 E CB -0.925 28.486 29.700 -0.482 0.000 1.102 354 E HN 0.621 nan 8.360 nan 0.000 0.452 355 C N 2.791 122.074 119.300 -0.028 0.000 2.527 355 C HA 0.622 5.081 4.460 -0.000 0.000 0.396 355 C C -2.030 173.026 174.990 0.110 0.000 1.289 355 C CA -1.938 57.166 59.018 0.142 0.000 2.047 355 C CB 0.679 28.586 27.740 0.277 0.000 2.568 355 C HN 0.487 nan 8.230 nan 0.000 0.573 356 P HA 0.152 nan 4.420 nan 0.000 0.271 356 P C -0.693 176.608 177.300 0.003 0.000 1.216 356 P CA 0.045 63.139 63.100 -0.010 0.000 0.776 356 P CB 0.451 32.091 31.700 -0.100 0.000 0.881 357 N N 1.493 120.106 118.700 -0.144 0.000 2.454 357 N HA -0.049 4.691 4.740 -0.000 0.000 0.254 357 N C 1.018 176.419 175.510 -0.183 0.000 1.228 357 N CA -0.009 52.846 53.050 -0.326 0.000 0.900 357 N CB -0.085 37.838 38.487 -0.941 0.000 1.089 357 N HN 0.532 nan 8.380 nan 0.000 0.449 358 Y N 0.245 120.552 120.300 0.012 0.000 2.529 358 Y HA 0.237 4.787 4.550 -0.000 0.000 0.290 358 Y C -0.186 175.897 175.900 0.306 0.000 1.177 358 Y CA -0.600 57.627 58.100 0.211 0.000 1.305 358 Y CB -0.514 38.142 38.460 0.327 0.000 1.047 358 Y HN 0.322 nan 8.280 nan 0.000 0.522 359 F N -0.717 119.110 119.950 -0.206 0.000 2.565 359 F HA 0.783 5.310 4.527 -0.000 0.000 0.313 359 F C -0.268 175.473 175.800 -0.099 0.000 1.091 359 F CA -2.077 55.818 58.000 -0.175 0.000 0.915 359 F CB 1.363 40.124 39.000 -0.399 0.000 1.208 359 F HN -0.326 nan 8.300 nan 0.000 0.453 360 R N 0.000 120.522 120.500 0.037 0.000 2.786 360 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 360 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 360 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 360 R HN 0.000 nan 8.270 nan 0.000 0.535