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 1ted_1_B DATA FIRST_RESID 31 DATA SEQUENCE TVAVIEGLAT GTPRRVVNQS DAADRVAELX XXXGQRERIP RVYQKSRITT DATA SEQUENCE RRMAVDPLDA KFDVFRREPA TIRDRMHLFY EHAVPLAVDV SKRALAGLPY DATA SEQUENCE RAAEIGLLVL ATSTGFIAPG VDVAIVKELG LSPSISRVVV NFMGCAAAMN DATA SEQUENCE ALGTATNYVR AHPAMKALVV CIELCSVNAV FADDINDVVI HSLFGDGCAA DATA SEQUENCE LVIGASQVQE KLEPGKVVVR SSFSQLLDNT EDGIVLGVNH NGITCELSEN DATA SEQUENCE LPGYIFSGVA PVVTEMLWDN GLQISDIDLW AIHPGGPKII EQSVRSLGIS DATA SEQUENCE AELAAQSWDV LARFGNMLSV SLIFVLETMV QQAESAKAIS TGVAFAFGPG DATA SEQUENCE VTVEGMLFDI IRR 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 31 T HA 0.000 nan 4.350 nan 0.000 0.228 31 T C 0.000 174.695 174.700 -0.008 0.000 1.109 31 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 31 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 32 V N 3.345 123.257 119.914 -0.002 0.000 2.628 32 V HA 0.890 5.007 4.120 -0.005 0.000 0.306 32 V C 0.577 176.676 176.094 0.009 0.000 1.045 32 V CA -0.516 61.788 62.300 0.006 0.000 0.905 32 V CB 1.738 33.567 31.823 0.011 0.000 0.997 32 V HN 1.252 nan 8.190 nan 0.000 0.436 33 A N 4.558 127.387 122.820 0.015 0.000 2.289 33 A HA 0.779 5.096 4.320 -0.005 0.000 0.298 33 A C -0.685 176.913 177.584 0.024 0.000 1.208 33 A CA -0.344 51.704 52.037 0.018 0.000 0.845 33 A CB 0.710 19.722 19.000 0.020 0.000 1.125 33 A HN 0.702 nan 8.150 nan 0.000 0.517 34 V N 3.601 123.530 119.914 0.024 0.000 2.680 34 V HA 0.367 4.484 4.120 -0.005 0.000 0.309 34 V C -0.155 175.953 176.094 0.024 0.000 1.052 34 V CA -0.382 61.935 62.300 0.027 0.000 0.908 34 V CB 1.865 33.711 31.823 0.037 0.000 1.001 34 V HN 0.755 nan 8.190 nan 0.000 0.431 35 I N 3.234 123.809 120.570 0.010 0.000 2.269 35 I HA 0.266 4.433 4.170 -0.005 0.000 0.293 35 I C 1.042 177.167 176.117 0.014 0.000 1.106 35 I CA 0.132 61.430 61.300 -0.004 0.000 1.248 35 I CB 0.603 38.576 38.000 -0.045 0.000 1.444 35 I HN 0.779 nan 8.210 nan 0.000 0.497 36 E N 4.139 124.368 120.200 0.048 0.000 2.447 36 E HA 0.166 4.513 4.350 -0.005 0.000 0.195 36 E C 0.915 177.543 176.600 0.048 0.000 1.028 36 E CA -0.160 56.281 56.400 0.069 0.000 0.876 36 E CB 0.579 30.371 29.700 0.153 0.000 0.885 36 E HN 0.737 nan 8.360 nan 0.000 0.500 37 G N 1.131 109.952 108.800 0.035 0.000 2.696 37 G HA2 0.621 4.578 3.960 -0.005 0.000 0.295 37 G HA3 0.621 4.578 3.960 -0.005 0.000 0.295 37 G C -1.797 173.091 174.900 -0.020 0.000 1.398 37 G CA -0.551 44.555 45.100 0.010 0.000 0.920 37 G HN 0.047 nan 8.290 nan 0.000 0.492 38 L N 0.589 121.786 121.223 -0.043 0.000 2.592 38 L HA 0.799 5.136 4.340 -0.005 0.000 0.258 38 L C -1.048 175.766 176.870 -0.093 0.000 0.926 38 L CA -0.649 54.148 54.840 -0.071 0.000 0.885 38 L CB 1.914 43.921 42.059 -0.086 0.000 1.380 38 L HN 1.225 nan 8.230 nan 0.000 0.415 39 A N 1.729 124.481 122.820 -0.114 0.000 2.594 39 A HA 0.891 5.208 4.320 -0.005 0.000 0.295 39 A C -0.875 176.586 177.584 -0.204 0.000 1.071 39 A CA 0.011 51.962 52.037 -0.144 0.000 0.685 39 A CB 2.129 21.068 19.000 -0.101 0.000 1.285 39 A HN 0.726 nan 8.150 nan 0.000 0.405 40 T N -1.332 113.043 114.554 -0.298 0.000 2.906 40 T HA 0.893 5.240 4.350 -0.005 0.000 0.295 40 T C -0.083 174.446 174.700 -0.285 0.000 1.061 40 T CA -0.156 61.677 62.100 -0.445 0.000 1.000 40 T CB 1.846 70.006 68.868 -1.179 0.000 1.103 40 T HN 2.095 nan 8.240 nan 0.000 0.486 41 G N -0.424 108.299 108.800 -0.128 0.000 2.692 41 G HA2 0.678 4.636 3.960 -0.005 0.000 0.291 41 G HA3 0.678 4.636 3.960 -0.005 0.000 0.291 41 G C -1.413 173.541 174.900 0.090 0.000 1.423 41 G CA -0.729 44.358 45.100 -0.023 0.000 0.843 41 G HN 0.902 nan 8.290 nan 0.000 0.486 42 T N 0.835 115.438 114.554 0.082 0.000 2.885 42 T HA 0.668 5.015 4.350 -0.005 0.000 0.322 42 T C -2.814 171.930 174.700 0.073 0.000 1.387 42 T CA -0.729 61.431 62.100 0.100 0.000 1.041 42 T CB 2.168 71.148 68.868 0.187 0.000 1.287 42 T HN 0.456 nan 8.240 nan 0.000 0.491 43 P HA 0.258 nan 4.420 nan 0.000 0.268 43 P C 0.935 178.269 177.300 0.058 0.000 1.205 43 P CA -0.050 63.071 63.100 0.035 0.000 0.771 43 P CB 0.498 32.197 31.700 -0.001 0.000 0.858 44 R N 3.592 124.123 120.500 0.052 0.000 2.117 44 R HA -0.172 4.165 4.340 -0.005 0.000 0.243 44 R C 1.591 177.924 176.300 0.056 0.000 1.143 44 R CA 1.599 57.733 56.100 0.057 0.000 0.968 44 R CB -1.300 29.028 30.300 0.046 0.000 0.863 44 R HN 0.573 nan 8.270 nan 0.000 0.444 45 R N 1.165 121.692 120.500 0.046 0.000 2.473 45 R HA 0.111 4.448 4.340 -0.005 0.000 0.315 45 R C -0.993 175.336 176.300 0.049 0.000 0.972 45 R CA 0.168 56.294 56.100 0.043 0.000 1.047 45 R CB 0.094 30.413 30.300 0.032 0.000 0.932 45 R HN 0.275 nan 8.270 nan 0.000 0.411 46 V N 6.360 126.303 119.914 0.047 0.000 2.383 46 V HA 0.191 4.308 4.120 -0.005 0.000 0.275 46 V C 0.018 176.137 176.094 0.042 0.000 1.036 46 V CA -0.567 61.759 62.300 0.043 0.000 0.889 46 V CB 1.555 33.398 31.823 0.033 0.000 0.985 46 V HN 0.461 nan 8.190 nan 0.000 0.459 47 V N 5.222 125.164 119.914 0.047 0.000 2.370 47 V HA 0.341 4.458 4.120 -0.005 0.000 0.283 47 V C 0.333 176.460 176.094 0.055 0.000 1.023 47 V CA -0.688 61.646 62.300 0.057 0.000 0.857 47 V CB 1.646 33.514 31.823 0.075 0.000 0.985 47 V HN 0.889 nan 8.190 nan 0.000 0.443 48 N N 4.357 123.089 118.700 0.053 0.000 2.422 48 N HA 0.109 4.846 4.740 -0.005 0.000 0.264 48 N C 0.964 176.521 175.510 0.079 0.000 1.063 48 N CA -0.346 52.733 53.050 0.050 0.000 0.959 48 N CB 1.551 40.059 38.487 0.034 0.000 1.087 48 N HN 0.606 nan 8.380 nan 0.000 0.483 49 Q N 2.036 121.895 119.800 0.099 0.000 2.112 49 Q HA -0.122 4.215 4.340 -0.005 0.000 0.206 49 Q C 1.460 177.551 176.000 0.151 0.000 0.987 49 Q CA 1.493 57.399 55.803 0.172 0.000 0.858 49 Q CB -0.201 28.633 28.738 0.159 0.000 0.905 49 Q HN 0.641 nan 8.270 nan 0.000 0.420 50 S N 1.269 117.020 115.700 0.085 0.000 2.370 50 S HA -0.146 4.321 4.470 -0.005 0.000 0.226 50 S C 1.454 176.062 174.600 0.014 0.000 1.033 50 S CA 1.423 59.651 58.200 0.048 0.000 1.011 50 S CB -0.166 63.052 63.200 0.030 0.000 0.852 50 S HN 0.376 nan 8.310 nan 0.000 0.457 51 D N 1.575 121.986 120.400 0.019 0.000 2.103 51 D HA 0.070 4.707 4.640 -0.005 0.000 0.199 51 D C 2.279 178.564 176.300 -0.024 0.000 0.978 51 D CA 1.122 55.120 54.000 -0.003 0.000 0.829 51 D CB -0.502 40.305 40.800 0.012 0.000 0.981 51 D HN 0.371 nan 8.370 nan 0.000 0.464 52 A N 1.597 124.430 122.820 0.022 0.000 1.917 52 A HA -0.173 4.144 4.320 -0.005 0.000 0.219 52 A C 2.353 179.796 177.584 -0.235 0.000 1.182 52 A CA 2.536 54.587 52.037 0.024 0.000 0.633 52 A CB -0.771 18.367 19.000 0.229 0.000 0.819 52 A HN 0.252 nan 8.150 nan 0.000 0.448 53 A N 0.081 122.697 122.820 -0.340 0.000 1.865 53 A HA -0.237 4.080 4.320 -0.005 0.000 0.217 53 A C 1.846 179.195 177.584 -0.391 0.000 1.191 53 A CA 1.948 53.575 52.037 -0.683 0.000 0.623 53 A CB -0.729 18.101 19.000 -0.283 0.000 0.826 53 A HN 0.519 nan 8.150 nan 0.000 0.444 54 D N -0.505 119.774 120.400 -0.201 0.000 2.092 54 D HA -0.153 4.484 4.640 -0.005 0.000 0.193 54 D C 2.201 178.414 176.300 -0.145 0.000 0.994 54 D CA 1.189 55.107 54.000 -0.137 0.000 0.828 54 D CB -0.402 40.350 40.800 -0.080 0.000 0.963 54 D HN 0.298 nan 8.370 nan 0.000 0.450 55 R N 0.665 121.084 120.500 -0.136 0.000 2.096 55 R HA -0.101 4.236 4.340 -0.005 0.000 0.240 55 R C 2.501 178.689 176.300 -0.186 0.000 1.139 55 R CA 0.666 56.688 56.100 -0.129 0.000 0.952 55 R CB -1.120 29.126 30.300 -0.090 0.000 0.854 55 R HN 0.185 nan 8.270 nan 0.000 0.436 56 V N 1.309 121.081 119.914 -0.237 0.000 2.427 56 V HA -0.178 3.939 4.120 -0.005 0.000 0.248 56 V C 2.591 178.564 176.094 -0.203 0.000 1.051 56 V CA 1.627 63.773 62.300 -0.257 0.000 1.048 56 V CB -0.812 30.888 31.823 -0.205 0.000 0.666 56 V HN 0.345 nan 8.190 nan 0.000 0.456 57 A N 0.006 122.703 122.820 -0.204 0.000 1.902 57 A HA -0.262 4.055 4.320 -0.005 0.000 0.217 57 A C 2.128 179.651 177.584 -0.102 0.000 1.181 57 A CA 1.895 53.851 52.037 -0.135 0.000 0.623 57 A CB -0.513 18.410 19.000 -0.128 0.000 0.818 57 A HN 0.620 nan 8.150 nan 0.000 0.443 58 E N -0.064 120.071 120.200 -0.108 0.000 2.219 58 E HA -0.123 4.224 4.350 -0.005 0.000 0.198 58 E C 0.450 177.000 176.600 -0.082 0.000 0.998 58 E CA 0.333 56.682 56.400 -0.085 0.000 0.818 58 E CB -0.435 29.215 29.700 -0.083 0.000 0.741 58 E HN 0.632 nan 8.360 nan 0.000 0.477 65 Q N -0.345 119.452 119.800 -0.005 0.000 2.553 65 Q HA 0.639 4.976 4.340 -0.005 0.000 0.395 65 Q C 1.237 177.236 176.000 -0.002 0.000 0.971 65 Q CA 0.861 56.663 55.803 -0.002 0.000 1.090 65 Q CB -0.184 28.554 28.738 0.000 0.000 1.328 65 Q HN 1.430 nan 8.270 nan 0.000 0.413 66 R N 0.268 120.763 120.500 -0.008 0.000 2.328 66 R HA 0.066 4.403 4.340 -0.005 0.000 0.200 66 R C 1.365 177.659 176.300 -0.011 0.000 0.983 66 R CA 0.854 56.946 56.100 -0.014 0.000 1.062 66 R CB -0.367 29.918 30.300 -0.025 0.000 0.956 66 R HN 0.594 nan 8.270 nan 0.000 0.479 67 E N 0.814 121.012 120.200 -0.004 0.000 2.208 67 E HA -0.092 4.255 4.350 -0.005 0.000 0.193 67 E C 1.878 178.486 176.600 0.013 0.000 0.988 67 E CA 0.822 57.223 56.400 0.001 0.000 0.828 67 E CB -0.059 29.642 29.700 0.001 0.000 0.763 67 E HN 0.689 nan 8.360 nan 0.000 0.478 68 R N 0.707 121.219 120.500 0.019 0.000 2.088 68 R HA -0.098 4.239 4.340 -0.005 0.000 0.232 68 R C 2.614 178.954 176.300 0.067 0.000 1.136 68 R CA 1.520 57.642 56.100 0.036 0.000 0.926 68 R CB -0.767 29.552 30.300 0.033 0.000 0.837 68 R HN 0.122 nan 8.270 nan 0.000 0.429 69 I N 0.864 121.476 120.570 0.070 0.000 2.130 69 I HA -0.312 3.855 4.170 -0.005 0.000 0.241 69 I C -0.709 175.489 176.117 0.135 0.000 1.023 69 I CA 1.800 63.169 61.300 0.115 0.000 1.293 69 I CB -1.436 36.558 38.000 -0.011 0.000 1.001 69 I HN 0.137 nan 8.210 nan 0.000 0.407 70 P HA -0.147 nan 4.420 nan 0.000 0.218 70 P C 1.525 178.886 177.300 0.102 0.000 1.148 70 P CA 1.263 64.389 63.100 0.043 0.000 0.822 70 P CB -0.080 31.623 31.700 0.005 0.000 0.784 71 R N -0.454 120.101 120.500 0.092 0.000 2.057 71 R HA -0.043 4.294 4.340 -0.005 0.000 0.229 71 R C 2.254 178.616 176.300 0.103 0.000 1.136 71 R CA 1.021 57.169 56.100 0.080 0.000 0.952 71 R CB -1.677 28.655 30.300 0.054 0.000 0.848 71 R HN 0.131 nan 8.270 nan 0.000 0.430 72 V N 0.426 120.418 119.914 0.131 0.000 2.407 72 V HA -0.241 3.876 4.120 -0.005 0.000 0.248 72 V C 1.601 177.742 176.094 0.078 0.000 1.055 72 V CA 1.659 64.016 62.300 0.094 0.000 1.049 72 V CB -0.428 31.445 31.823 0.084 0.000 0.662 72 V HN 0.249 nan 8.190 nan 0.000 0.455 73 Y N 1.032 121.352 120.300 0.033 0.000 2.509 73 Y HA -0.088 4.459 4.550 -0.005 0.000 0.293 73 Y C 2.624 178.545 175.900 0.036 0.000 1.133 73 Y CA 1.562 59.686 58.100 0.040 0.000 1.283 73 Y CB -0.277 38.207 38.460 0.040 0.000 1.001 73 Y HN 0.578 nan 8.280 nan 0.000 0.555 74 Q N 0.131 120.026 119.800 0.159 0.000 2.123 74 Q HA -0.048 4.289 4.340 -0.005 0.000 0.196 74 Q C 2.140 178.180 176.000 0.066 0.000 0.958 74 Q CA 1.483 57.344 55.803 0.097 0.000 0.841 74 Q CB -0.446 28.335 28.738 0.072 0.000 0.915 74 Q HN 0.299 nan 8.270 nan 0.000 0.455 75 K N 1.387 121.822 120.400 0.058 0.000 2.432 75 K HA 0.050 4.367 4.320 -0.005 0.000 0.196 75 K C 1.957 178.591 176.600 0.056 0.000 1.038 75 K CA 1.022 57.339 56.287 0.050 0.000 0.986 75 K CB -0.571 31.954 32.500 0.041 0.000 0.782 75 K HN 0.582 nan 8.250 nan 0.000 0.485 76 S N 0.459 116.180 115.700 0.035 0.000 2.419 76 S HA -0.188 4.279 4.470 -0.005 0.000 0.233 76 S C 1.115 175.764 174.600 0.080 0.000 1.016 76 S CA 0.810 59.023 58.200 0.023 0.000 0.974 76 S CB -0.402 62.766 63.200 -0.053 0.000 0.786 76 S HN 0.651 nan 8.310 nan 0.000 0.492 77 R N 0.017 120.571 120.500 0.090 0.000 3.651 77 R HA -0.109 4.228 4.340 -0.005 0.000 0.292 77 R C -0.968 175.401 176.300 0.115 0.000 1.161 77 R CA 0.991 57.164 56.100 0.122 0.000 0.787 77 R CB -2.579 27.863 30.300 0.237 0.000 1.249 77 R HN 0.543 nan 8.270 nan 0.000 0.476 78 I N -0.790 119.822 120.570 0.071 0.000 2.433 78 I HA 0.181 4.348 4.170 -0.005 0.000 0.292 78 I C 1.318 177.460 176.117 0.041 0.000 1.001 78 I CA -0.510 60.820 61.300 0.050 0.000 1.119 78 I CB 2.112 40.132 38.000 0.033 0.000 1.289 78 I HN -0.051 nan 8.210 nan 0.000 0.438 79 T N 1.957 116.521 114.554 0.016 0.000 3.021 79 T HA 0.094 4.441 4.350 -0.005 0.000 0.245 79 T C 0.477 175.177 174.700 0.000 0.000 1.028 79 T CA 0.674 62.779 62.100 0.008 0.000 1.139 79 T CB 0.292 69.152 68.868 -0.013 0.000 0.884 79 T HN 0.797 nan 8.240 nan 0.000 0.457 80 T N 0.952 115.486 114.554 -0.034 0.000 2.853 80 T HA 0.725 5.072 4.350 -0.005 0.000 0.311 80 T C -1.694 172.977 174.700 -0.048 0.000 1.307 80 T CA -1.285 60.793 62.100 -0.037 0.000 1.019 80 T CB 2.548 71.371 68.868 -0.076 0.000 1.264 80 T HN 0.410 nan 8.240 nan 0.000 0.497 81 R N 0.375 120.879 120.500 0.006 0.000 2.643 81 R HA 0.746 5.083 4.340 -0.005 0.000 0.269 81 R C -1.136 175.211 176.300 0.079 0.000 1.037 81 R CA -1.295 54.837 56.100 0.053 0.000 0.894 81 R CB 1.371 31.710 30.300 0.066 0.000 1.238 81 R HN 0.370 nan 8.270 nan 0.000 0.459 82 R N 2.028 122.608 120.500 0.133 0.000 2.457 82 R HA 0.488 4.825 4.340 -0.005 0.000 0.284 82 R C -0.408 175.926 176.300 0.056 0.000 1.024 82 R CA -0.538 55.629 56.100 0.111 0.000 1.025 82 R CB 1.040 31.443 30.300 0.173 0.000 1.063 82 R HN 0.699 nan 8.270 nan 0.000 0.493 83 M N 0.688 120.303 119.600 0.024 0.000 2.271 83 M HA 0.289 4.766 4.480 -0.005 0.000 0.285 83 M C 0.537 176.792 176.300 -0.076 0.000 1.059 83 M CA -0.473 54.810 55.300 -0.028 0.000 0.940 83 M CB 2.449 35.033 32.600 -0.026 0.000 1.636 83 M HN 0.740 nan 8.290 nan 0.000 0.460 84 A N 2.834 125.567 122.820 -0.146 0.000 2.015 84 A HA 0.182 4.499 4.320 -0.005 0.000 0.219 84 A C 0.550 177.881 177.584 -0.422 0.000 1.163 84 A CA 1.084 52.960 52.037 -0.269 0.000 0.646 84 A CB 0.183 18.976 19.000 -0.345 0.000 0.806 84 A HN 0.523 nan 8.150 nan 0.000 0.448 85 V N 0.043 119.740 119.914 -0.362 0.000 2.841 85 V HA 0.275 4.392 4.120 -0.005 0.000 0.310 85 V C -1.338 174.599 176.094 -0.261 0.000 1.090 85 V CA -0.912 61.137 62.300 -0.418 0.000 0.930 85 V CB 2.058 33.434 31.823 -0.744 0.000 1.014 85 V HN 0.320 nan 8.190 nan 0.000 0.425 86 D N 5.895 126.225 120.400 -0.117 0.000 2.468 86 D HA 0.254 4.891 4.640 -0.005 0.000 0.218 86 D C -1.410 174.936 176.300 0.078 0.000 1.155 86 D CA -1.737 52.291 54.000 0.046 0.000 0.924 86 D CB 1.772 42.669 40.800 0.162 0.000 1.029 86 D HN 0.282 nan 8.370 nan 0.000 0.515 87 P HA -0.122 nan 4.420 nan 0.000 0.224 87 P C 1.180 178.705 177.300 0.376 0.000 1.142 87 P CA 0.590 63.801 63.100 0.186 0.000 0.778 87 P CB 0.428 32.270 31.700 0.236 0.000 0.764 88 L N -1.075 120.308 121.223 0.266 0.000 2.667 88 L HA 0.231 4.568 4.340 -0.005 0.000 0.232 88 L C 1.082 178.047 176.870 0.157 0.000 1.138 88 L CA -0.317 54.609 54.840 0.143 0.000 0.921 88 L CB -0.291 41.779 42.059 0.019 0.000 1.180 88 L HN -0.071 nan 8.230 nan 0.000 0.487 89 D N 0.750 121.310 120.400 0.267 0.000 2.414 89 D HA 0.039 4.676 4.640 -0.005 0.000 0.242 89 D C 1.141 177.528 176.300 0.146 0.000 1.129 89 D CA 0.502 54.634 54.000 0.221 0.000 0.885 89 D CB 2.015 43.022 40.800 0.345 0.000 1.198 89 D HN 0.141 nan 8.370 nan 0.000 0.437 90 A N 4.721 127.579 122.820 0.063 0.000 1.997 90 A HA -0.276 4.041 4.320 -0.005 0.000 0.221 90 A C 1.984 179.574 177.584 0.009 0.000 1.172 90 A CA 2.245 54.302 52.037 0.032 0.000 0.645 90 A CB -0.411 18.594 19.000 0.008 0.000 0.813 90 A HN 0.789 nan 8.150 nan 0.000 0.454 91 K N -1.698 118.656 120.400 -0.077 0.000 1.991 91 K HA -0.035 4.283 4.320 -0.005 0.000 0.207 91 K C 1.527 178.064 176.600 -0.106 0.000 1.045 91 K CA 1.529 57.702 56.287 -0.191 0.000 0.937 91 K CB -0.669 31.558 32.500 -0.455 0.000 0.720 91 K HN 0.270 nan 8.250 nan 0.000 0.438 92 F N 2.578 122.596 119.950 0.112 0.000 2.408 92 F HA -0.100 4.424 4.527 -0.005 0.000 0.300 92 F C 2.107 178.064 175.800 0.260 0.000 1.090 92 F CA 0.864 58.989 58.000 0.207 0.000 1.427 92 F CB -0.562 38.551 39.000 0.189 0.000 1.070 92 F HN 0.208 nan 8.300 nan 0.000 0.549 93 D N 0.459 121.048 120.400 0.314 0.000 2.097 93 D HA -0.133 4.505 4.640 -0.005 0.000 0.195 93 D C 2.356 178.778 176.300 0.204 0.000 0.989 93 D CA 1.255 55.392 54.000 0.228 0.000 0.827 93 D CB 0.022 40.899 40.800 0.128 0.000 0.966 93 D HN 0.138 nan 8.370 nan 0.000 0.456 94 V N 0.862 120.885 119.914 0.183 0.000 2.427 94 V HA -0.197 3.920 4.120 -0.005 0.000 0.248 94 V C 2.301 178.521 176.094 0.209 0.000 1.051 94 V CA 1.266 63.660 62.300 0.157 0.000 1.048 94 V CB -0.719 31.178 31.823 0.123 0.000 0.666 94 V HN 0.142 nan 8.190 nan 0.000 0.456 95 F N 1.407 121.433 119.950 0.127 0.000 2.146 95 F HA -0.132 4.391 4.527 -0.006 0.000 0.298 95 F C 2.453 178.352 175.800 0.165 0.000 1.096 95 F CA 1.591 59.682 58.000 0.152 0.000 1.275 95 F CB -0.192 38.931 39.000 0.206 0.000 1.008 95 F HN -0.050 nan 8.300 nan 0.000 0.480 96 R N 0.563 121.181 120.500 0.198 0.000 2.096 96 R HA -0.059 4.278 4.340 -0.005 0.000 0.235 96 R C 2.222 178.537 176.300 0.025 0.000 1.127 96 R CA 1.521 57.678 56.100 0.095 0.000 0.968 96 R CB -0.482 29.994 30.300 0.294 0.000 0.861 96 R HN 0.272 nan 8.270 nan 0.000 0.440 97 R N 0.413 120.951 120.500 0.064 0.000 2.280 97 R HA 0.024 4.361 4.340 -0.005 0.000 0.207 97 R C 0.039 176.350 176.300 0.017 0.000 1.043 97 R CA 0.411 56.542 56.100 0.052 0.000 1.006 97 R CB 0.017 30.356 30.300 0.066 0.000 0.885 97 R HN 0.329 nan 8.270 nan 0.000 0.467 98 E N 1.961 122.139 120.200 -0.037 0.000 2.366 98 E HA 0.138 4.485 4.350 -0.005 0.000 0.266 98 E C -2.144 174.438 176.600 -0.030 0.000 1.051 98 E CA -1.742 54.635 56.400 -0.040 0.000 0.884 98 E CB 0.746 30.407 29.700 -0.066 0.000 1.006 98 E HN 0.015 nan 8.360 nan 0.000 0.417 99 P HA 0.188 nan 4.420 nan 0.000 0.286 99 P C -1.006 176.393 177.300 0.164 0.000 1.292 99 P CA -0.355 62.858 63.100 0.188 0.000 0.842 99 P CB 0.847 32.574 31.700 0.046 0.000 1.207 100 A N 0.257 123.283 122.820 0.345 0.000 2.251 100 A HA -0.096 4.221 4.320 -0.005 0.000 0.283 100 A C 0.705 178.347 177.584 0.097 0.000 1.415 100 A CA 1.304 53.446 52.037 0.174 0.000 0.742 100 A CB -2.811 16.234 19.000 0.076 0.000 1.151 100 A HN 0.753 nan 8.150 nan 0.000 0.354 101 T N -2.950 111.637 114.554 0.054 0.000 3.144 101 T HA 0.377 4.724 4.350 -0.005 0.000 0.290 101 T C 1.200 175.953 174.700 0.088 0.000 0.966 101 T CA 0.639 62.758 62.100 0.032 0.000 0.907 101 T CB -0.551 68.167 68.868 -0.250 0.000 1.152 101 T HN 0.966 nan 8.240 nan 0.000 0.532 102 I N 1.150 121.755 120.570 0.058 0.000 2.163 102 I HA 0.027 4.194 4.170 -0.005 0.000 0.243 102 I C 2.536 178.694 176.117 0.070 0.000 1.085 102 I CA 1.164 62.493 61.300 0.048 0.000 1.347 102 I CB -1.065 36.950 38.000 0.026 0.000 1.044 102 I HN 0.107 nan 8.210 nan 0.000 0.408 103 R N 1.443 121.990 120.500 0.078 0.000 2.080 103 R HA -0.186 4.151 4.340 -0.005 0.000 0.236 103 R C 1.936 178.309 176.300 0.122 0.000 1.137 103 R CA 1.983 58.114 56.100 0.050 0.000 0.943 103 R CB -0.898 29.455 30.300 0.087 0.000 0.846 103 R HN 0.460 nan 8.270 nan 0.000 0.431 104 D N -0.304 120.252 120.400 0.261 0.000 2.149 104 D HA -0.145 4.492 4.640 -0.005 0.000 0.198 104 D C 1.982 178.488 176.300 0.342 0.000 0.990 104 D CA 1.203 55.423 54.000 0.367 0.000 0.839 104 D CB -0.120 40.953 40.800 0.454 0.000 0.948 104 D HN 0.287 nan 8.370 nan 0.000 0.460 105 R N -0.209 120.492 120.500 0.335 0.000 2.115 105 R HA -0.006 4.332 4.340 -0.005 0.000 0.230 105 R C 2.253 178.669 176.300 0.192 0.000 1.111 105 R CA 0.721 56.993 56.100 0.287 0.000 0.976 105 R CB -0.038 30.400 30.300 0.230 0.000 0.870 105 R HN 0.165 nan 8.270 nan 0.000 0.445 106 M N -0.290 119.363 119.600 0.088 0.000 2.229 106 M HA -0.098 4.379 4.480 -0.005 0.000 0.264 106 M C 1.841 178.227 176.300 0.143 0.000 1.063 106 M CA 1.591 56.910 55.300 0.032 0.000 1.114 106 M CB -0.843 31.689 32.600 -0.114 0.000 1.387 106 M HN 0.178 nan 8.290 nan 0.000 0.420 107 H N 0.217 119.407 119.070 0.200 0.000 2.357 107 H HA 0.040 4.593 4.556 -0.004 0.000 0.301 107 H C 2.330 177.797 175.328 0.233 0.000 1.082 107 H CA 1.159 57.325 56.048 0.197 0.000 1.342 107 H CB -0.358 29.481 29.762 0.128 0.000 1.389 107 H HN 0.315 nan 8.280 nan 0.000 0.511 108 L N -0.131 121.293 121.223 0.335 0.000 2.012 108 L HA -0.224 4.113 4.340 -0.005 0.000 0.210 108 L C 2.549 179.611 176.870 0.320 0.000 1.073 108 L CA 1.313 56.330 54.840 0.294 0.000 0.748 108 L CB -0.568 41.648 42.059 0.260 0.000 0.891 108 L HN 0.143 nan 8.230 nan 0.000 0.431 109 F N 0.010 120.060 119.950 0.168 0.000 2.065 109 F HA -0.368 4.157 4.527 -0.005 0.000 0.298 109 F C 2.576 178.463 175.800 0.144 0.000 1.112 109 F CA 1.989 60.060 58.000 0.119 0.000 1.212 109 F CB -0.708 38.317 39.000 0.041 0.000 0.975 109 F HN 0.019 nan 8.300 nan 0.000 0.476 110 Y N 1.148 121.506 120.300 0.097 0.000 2.165 110 Y HA -0.237 4.310 4.550 -0.005 0.000 0.286 110 Y C 2.599 178.437 175.900 -0.103 0.000 1.155 110 Y CA 2.235 60.326 58.100 -0.014 0.000 1.164 110 Y CB -0.816 37.735 38.460 0.151 0.000 0.978 110 Y HN 0.384 nan 8.280 nan 0.000 0.513 111 E N -0.998 119.196 120.200 -0.010 0.000 2.058 111 E HA -0.297 4.050 4.350 -0.005 0.000 0.194 111 E C 1.684 178.047 176.600 -0.395 0.000 0.997 111 E CA 2.084 58.359 56.400 -0.208 0.000 0.801 111 E CB -0.253 29.319 29.700 -0.213 0.000 0.746 111 E HN 0.728 nan 8.360 nan 0.000 0.450 112 H N -1.110 117.850 119.070 -0.183 0.000 2.497 112 H HA 0.206 4.759 4.556 -0.005 0.000 0.282 112 H C 1.709 176.855 175.328 -0.303 0.000 1.003 112 H CA 0.793 56.720 56.048 -0.200 0.000 1.307 112 H CB 0.241 29.916 29.762 -0.145 0.000 1.437 112 H HN 0.252 nan 8.280 nan 0.000 0.544 113 A N 0.551 123.133 122.820 -0.396 0.000 1.872 113 A HA -0.098 4.219 4.320 -0.005 0.000 0.214 113 A C 2.405 179.773 177.584 -0.359 0.000 1.187 113 A CA 1.257 52.996 52.037 -0.495 0.000 0.614 113 A CB -0.792 17.625 19.000 -0.972 0.000 0.826 113 A HN 0.198 nan 8.150 nan 0.000 0.442 114 V N 0.821 120.465 119.914 -0.450 0.000 2.231 114 V HA -0.236 3.881 4.120 -0.005 0.000 0.250 114 V C 0.046 176.003 176.094 -0.227 0.000 1.058 114 V CA 2.810 64.882 62.300 -0.380 0.000 1.022 114 V CB -1.835 29.657 31.823 -0.550 0.000 0.640 114 V HN 0.385 nan 8.190 nan 0.000 0.445 115 P HA -0.172 nan 4.420 nan 0.000 0.214 115 P C 1.914 179.157 177.300 -0.095 0.000 1.163 115 P CA 1.343 64.368 63.100 -0.125 0.000 0.889 115 P CB -0.125 31.511 31.700 -0.107 0.000 0.790 116 L N -0.215 120.950 121.223 -0.097 0.000 1.994 116 L HA -0.125 4.212 4.340 -0.005 0.000 0.208 116 L C 2.278 179.107 176.870 -0.068 0.000 1.071 116 L CA 2.300 57.099 54.840 -0.069 0.000 0.745 116 L CB -1.644 40.375 42.059 -0.067 0.000 0.892 116 L HN -0.107 nan 8.230 nan 0.000 0.431 117 A N -1.342 121.425 122.820 -0.088 0.000 1.933 117 A HA -0.137 4.180 4.320 -0.005 0.000 0.218 117 A C 2.261 179.811 177.584 -0.057 0.000 1.175 117 A CA 1.909 53.907 52.037 -0.066 0.000 0.628 117 A CB -1.052 17.906 19.000 -0.070 0.000 0.814 117 A HN 0.340 nan 8.150 nan 0.000 0.444 118 V N 0.451 120.324 119.914 -0.067 0.000 2.307 118 V HA -0.248 3.870 4.120 -0.005 0.000 0.245 118 V C 2.394 178.462 176.094 -0.043 0.000 1.045 118 V CA 2.463 64.732 62.300 -0.053 0.000 1.024 118 V CB -0.767 31.021 31.823 -0.060 0.000 0.651 118 V HN 0.730 nan 8.190 nan 0.000 0.449 119 D N 0.076 120.449 120.400 -0.045 0.000 2.097 119 D HA -0.156 4.481 4.640 -0.005 0.000 0.195 119 D C 1.974 178.250 176.300 -0.039 0.000 0.989 119 D CA 1.569 55.547 54.000 -0.038 0.000 0.827 119 D CB -0.128 40.650 40.800 -0.035 0.000 0.966 119 D HN 0.206 nan 8.370 nan 0.000 0.456 120 V N -0.034 119.854 119.914 -0.043 0.000 2.427 120 V HA -0.173 3.944 4.120 -0.005 0.000 0.248 120 V C 2.548 178.616 176.094 -0.043 0.000 1.051 120 V CA 1.772 64.043 62.300 -0.048 0.000 1.048 120 V CB -0.474 31.321 31.823 -0.047 0.000 0.666 120 V HN 0.202 nan 8.190 nan 0.000 0.456 121 S N -0.572 115.107 115.700 -0.036 0.000 2.371 121 S HA -0.163 4.304 4.470 -0.005 0.000 0.224 121 S C 1.991 176.577 174.600 -0.023 0.000 1.029 121 S CA 1.202 59.386 58.200 -0.027 0.000 0.978 121 S CB -0.223 62.962 63.200 -0.024 0.000 0.833 121 S HN 0.554 nan 8.310 nan 0.000 0.466 122 K N 1.026 121.412 120.400 -0.025 0.000 2.063 122 K HA -0.062 4.255 4.320 -0.005 0.000 0.208 122 K C 2.388 178.974 176.600 -0.023 0.000 1.048 122 K CA 1.174 57.449 56.287 -0.020 0.000 0.928 122 K CB -0.131 32.355 32.500 -0.022 0.000 0.713 122 K HN 0.236 nan 8.250 nan 0.000 0.442 123 R N 0.103 120.584 120.500 -0.032 0.000 2.092 123 R HA -0.046 4.291 4.340 -0.005 0.000 0.231 123 R C 2.351 178.629 176.300 -0.037 0.000 1.119 123 R CA 1.089 57.167 56.100 -0.038 0.000 0.970 123 R CB -0.313 29.957 30.300 -0.049 0.000 0.864 123 R HN 0.164 nan 8.270 nan 0.000 0.440 124 A N 0.954 123.753 122.820 -0.035 0.000 1.978 124 A HA -0.121 4.196 4.320 -0.005 0.000 0.220 124 A C 2.000 179.580 177.584 -0.006 0.000 1.170 124 A CA 1.280 53.300 52.037 -0.028 0.000 0.636 124 A CB -0.299 18.685 19.000 -0.026 0.000 0.810 124 A HN 0.200 nan 8.150 nan 0.000 0.448 125 L N -1.622 119.602 121.223 0.001 0.000 2.463 125 L HA 0.127 4.464 4.340 -0.005 0.000 0.219 125 L C 2.805 179.670 176.870 -0.009 0.000 1.088 125 L CA 0.517 55.369 54.840 0.021 0.000 0.849 125 L CB -0.296 41.786 42.059 0.038 0.000 1.012 125 L HN 0.345 nan 8.230 nan 0.000 0.468 126 A N 0.829 123.637 122.820 -0.021 0.000 1.971 126 A HA -0.246 4.071 4.320 -0.005 0.000 0.222 126 A C 2.287 179.843 177.584 -0.046 0.000 1.182 126 A CA 2.199 54.218 52.037 -0.031 0.000 0.649 126 A CB -1.169 17.812 19.000 -0.031 0.000 0.818 126 A HN 0.449 nan 8.150 nan 0.000 0.458 127 G N -1.713 107.054 108.800 -0.054 0.000 2.623 127 G HA2 0.328 4.285 3.960 -0.005 0.000 0.214 127 G HA3 0.328 4.285 3.960 -0.005 0.000 0.214 127 G C 0.509 175.337 174.900 -0.121 0.000 1.138 127 G CA 0.066 45.123 45.100 -0.073 0.000 0.794 127 G HN 0.290 nan 8.290 nan 0.000 0.535 128 L N 0.673 121.802 121.223 -0.156 0.000 2.399 128 L HA 0.333 4.670 4.340 -0.005 0.000 0.265 128 L C -0.979 175.705 176.870 -0.309 0.000 1.089 128 L CA -1.987 52.647 54.840 -0.344 0.000 0.802 128 L CB 1.017 42.758 42.059 -0.529 0.000 1.180 128 L HN -0.060 nan 8.230 nan 0.000 0.454 129 P HA -0.043 nan 4.420 nan 0.000 0.239 129 P C -0.118 177.124 177.300 -0.097 0.000 1.188 129 P CA 0.076 63.050 63.100 -0.211 0.000 0.794 129 P CB 0.182 31.772 31.700 -0.184 0.000 0.937 130 Y N 1.697 121.996 120.300 -0.001 0.000 2.996 130 Y HA -0.032 4.516 4.550 -0.003 0.000 0.347 130 Y C 1.531 177.431 175.900 0.000 0.000 1.276 130 Y CA -0.020 58.082 58.100 0.002 0.000 1.601 130 Y CB -0.540 37.922 38.460 0.004 0.000 1.193 130 Y HN -0.047 nan 8.280 nan 0.000 0.582 131 R N 1.897 122.500 120.500 0.171 0.000 2.549 131 R HA 0.630 4.967 4.340 -0.005 0.000 0.267 131 R C 1.101 177.446 176.300 0.074 0.000 1.045 131 R CA 0.267 56.420 56.100 0.089 0.000 1.115 131 R CB 0.709 31.046 30.300 0.062 0.000 1.121 131 R HN 0.714 nan 8.270 nan 0.000 0.543 132 A N 2.513 125.360 122.820 0.045 0.000 1.997 132 A HA -0.215 4.102 4.320 -0.005 0.000 0.221 132 A C 1.873 179.468 177.584 0.018 0.000 1.172 132 A CA 2.266 54.319 52.037 0.027 0.000 0.645 132 A CB -1.162 17.848 19.000 0.016 0.000 0.813 132 A HN 0.784 nan 8.150 nan 0.000 0.454 133 A N -0.810 122.023 122.820 0.022 0.000 2.172 133 A HA -0.031 4.286 4.320 -0.005 0.000 0.216 133 A C 1.675 179.265 177.584 0.011 0.000 1.154 133 A CA 1.252 53.298 52.037 0.014 0.000 0.701 133 A CB -0.330 18.680 19.000 0.017 0.000 0.789 133 A HN 0.668 nan 8.150 nan 0.000 0.465 134 E N -0.683 119.525 120.200 0.013 0.000 2.474 134 E HA 0.185 4.532 4.350 -0.005 0.000 0.195 134 E C -0.444 176.127 176.600 -0.049 0.000 1.039 134 E CA -0.135 56.254 56.400 -0.018 0.000 0.881 134 E CB 0.242 29.927 29.700 -0.026 0.000 0.970 134 E HN 0.598 nan 8.360 nan 0.000 0.486 135 I N 1.257 121.809 120.570 -0.031 0.000 2.287 135 I HA 0.142 4.309 4.170 -0.005 0.000 0.290 135 I C 1.117 177.203 176.117 -0.051 0.000 1.069 135 I CA -0.216 61.056 61.300 -0.046 0.000 1.237 135 I CB 1.246 39.225 38.000 -0.035 0.000 1.418 135 I HN 0.017 nan 8.210 nan 0.000 0.481 136 G N 6.478 115.255 108.800 -0.038 0.000 2.986 136 G HA2 0.249 4.206 3.960 -0.005 0.000 0.213 136 G HA3 0.249 4.206 3.960 -0.005 0.000 0.213 136 G C -0.034 174.629 174.900 -0.395 0.000 1.156 136 G CA 0.222 45.271 45.100 -0.084 0.000 0.763 136 G HN 0.407 nan 8.290 nan 0.000 0.547 137 L N 0.000 120.927 121.223 -0.494 0.000 2.482 137 L HA 0.773 5.110 4.340 -0.005 0.000 0.263 137 L C -2.017 174.677 176.870 -0.294 0.000 0.957 137 L CA -1.152 53.348 54.840 -0.567 0.000 0.836 137 L CB 2.474 43.879 42.059 -1.089 0.000 1.324 137 L HN -0.096 nan 8.230 nan 0.000 0.406 138 L N 5.640 126.740 121.223 -0.206 0.000 2.372 138 L HA 0.763 5.100 4.340 -0.005 0.000 0.274 138 L C -1.539 175.274 176.870 -0.095 0.000 0.988 138 L CA -0.352 54.417 54.840 -0.119 0.000 0.833 138 L CB 1.905 43.917 42.059 -0.078 0.000 1.236 138 L HN 0.387 nan 8.230 nan 0.000 0.410 139 V N 6.051 125.922 119.914 -0.072 0.000 2.384 139 V HA 0.473 4.590 4.120 -0.005 0.000 0.287 139 V C -0.470 175.614 176.094 -0.017 0.000 1.020 139 V CA -0.624 61.649 62.300 -0.045 0.000 0.850 139 V CB 1.600 33.397 31.823 -0.042 0.000 0.987 139 V HN 0.626 nan 8.190 nan 0.000 0.436 140 L N 5.085 126.310 121.223 0.003 0.000 2.313 140 L HA 0.877 5.214 4.340 -0.005 0.000 0.283 140 L C -0.089 176.808 176.870 0.045 0.000 1.013 140 L CA -0.201 54.658 54.840 0.031 0.000 0.816 140 L CB 1.327 43.417 42.059 0.051 0.000 1.236 140 L HN 0.768 nan 8.230 nan 0.000 0.419 141 A N 3.823 126.674 122.820 0.051 0.000 2.343 141 A HA 0.894 5.211 4.320 -0.005 0.000 0.316 141 A C -0.652 176.983 177.584 0.085 0.000 1.104 141 A CA -0.293 51.779 52.037 0.058 0.000 0.768 141 A CB 1.318 20.334 19.000 0.028 0.000 1.213 141 A HN 0.766 nan 8.150 nan 0.000 0.456 142 T N 0.642 115.260 114.554 0.107 0.000 2.886 142 T HA 0.475 4.822 4.350 -0.005 0.000 0.330 142 T C 0.111 174.894 174.700 0.139 0.000 1.488 142 T CA -0.376 61.786 62.100 0.104 0.000 1.054 142 T CB 1.778 70.710 68.868 0.106 0.000 1.348 142 T HN 0.426 nan 8.240 nan 0.000 0.489 143 S N 0.305 116.056 115.700 0.086 0.000 2.960 143 S HA 0.150 4.617 4.470 -0.005 0.000 0.256 143 S C 1.265 175.856 174.600 -0.015 0.000 1.017 143 S CA -0.058 58.284 58.200 0.236 0.000 1.144 143 S CB 0.427 63.754 63.200 0.212 0.000 1.109 143 S HN 0.915 nan 8.310 nan 0.000 0.638 144 T N -1.049 113.334 114.554 -0.286 0.000 3.091 144 T HA 0.536 4.883 4.350 -0.005 0.000 0.277 144 T C 0.506 174.643 174.700 -0.938 0.000 0.996 144 T CA -0.052 61.805 62.100 -0.405 0.000 0.897 144 T CB 1.055 69.862 68.868 -0.103 0.000 1.109 144 T HN 0.297 nan 8.240 nan 0.000 0.534 145 G N 0.899 108.785 108.800 -1.522 0.000 2.750 145 G HA2 0.527 4.485 3.960 -0.005 0.000 0.298 145 G HA3 0.527 4.485 3.960 -0.005 0.000 0.298 145 G C -1.856 172.321 174.900 -1.205 0.000 1.412 145 G CA -0.741 43.243 45.100 -1.860 0.000 1.078 145 G HN 0.113 nan 8.290 nan 0.000 0.573 146 F N 2.069 121.773 119.950 -0.410 0.000 2.496 146 F HA 0.742 5.270 4.527 0.001 0.000 0.341 146 F C -0.167 175.542 175.800 -0.153 0.000 1.134 146 F CA -1.613 56.237 58.000 -0.250 0.000 0.968 146 F CB 1.712 40.556 39.000 -0.260 0.000 1.205 146 F HN 0.469 nan 8.300 nan 0.000 0.436 147 I N 0.779 121.407 120.570 0.096 0.000 2.842 147 I HA 0.898 5.065 4.170 -0.005 0.000 0.297 147 I C -1.055 175.077 176.117 0.025 0.000 1.380 147 I CA -1.602 59.711 61.300 0.022 0.000 1.018 147 I CB 1.691 39.685 38.000 -0.010 0.000 1.311 147 I HN 0.546 nan 8.210 nan 0.000 0.439 148 A N 3.759 126.565 122.820 -0.022 0.000 2.427 148 A HA 0.950 5.267 4.320 -0.005 0.000 0.298 148 A C -2.628 174.930 177.584 -0.044 0.000 1.036 148 A CA -1.123 50.904 52.037 -0.017 0.000 0.701 148 A CB 0.687 19.679 19.000 -0.013 0.000 1.250 148 A HN 0.756 nan 8.150 nan 0.000 0.412 149 P HA 0.472 nan 4.420 nan 0.000 0.271 149 P C 0.345 177.653 177.300 0.014 0.000 1.216 149 P CA 0.195 63.292 63.100 -0.005 0.000 0.776 149 P CB 1.298 33.002 31.700 0.005 0.000 0.881 150 G N 0.268 109.134 108.800 0.108 0.000 2.702 150 G HA2 0.296 4.253 3.960 -0.005 0.000 0.254 150 G HA3 0.296 4.253 3.960 -0.005 0.000 0.254 150 G C 0.922 176.028 174.900 0.342 0.000 1.380 150 G CA -0.574 44.676 45.100 0.249 0.000 1.042 150 G HN 0.236 nan 8.290 nan 0.000 0.557 151 V N 1.739 121.848 119.914 0.325 0.000 2.453 151 V HA -0.185 3.932 4.120 -0.005 0.000 0.252 151 V C 2.692 178.845 176.094 0.099 0.000 1.068 151 V CA 2.489 64.886 62.300 0.161 0.000 1.070 151 V CB -0.695 31.188 31.823 0.100 0.000 0.664 151 V HN 0.854 nan 8.190 nan 0.000 0.461 152 D N 0.186 120.648 120.400 0.102 0.000 2.144 152 D HA -0.138 4.499 4.640 -0.005 0.000 0.200 152 D C 2.048 178.378 176.300 0.049 0.000 0.978 152 D CA 1.376 55.409 54.000 0.055 0.000 0.833 152 D CB -0.454 40.371 40.800 0.042 0.000 0.961 152 D HN 0.372 nan 8.370 nan 0.000 0.470 153 V N 1.640 121.599 119.914 0.075 0.000 2.358 153 V HA -0.164 3.953 4.120 -0.005 0.000 0.246 153 V C 2.958 179.092 176.094 0.067 0.000 1.047 153 V CA 1.699 64.037 62.300 0.063 0.000 1.035 153 V CB -0.810 31.056 31.823 0.072 0.000 0.658 153 V HN 0.369 nan 8.190 nan 0.000 0.452 154 A N -0.130 122.749 122.820 0.098 0.000 1.933 154 A HA -0.173 4.144 4.320 -0.005 0.000 0.218 154 A C 2.182 179.775 177.584 0.015 0.000 1.175 154 A CA 1.842 53.919 52.037 0.066 0.000 0.628 154 A CB -0.510 18.516 19.000 0.043 0.000 0.814 154 A HN 0.504 nan 8.150 nan 0.000 0.444 155 I N -0.548 120.026 120.570 0.008 0.000 2.179 155 I HA -0.207 3.960 4.170 -0.005 0.000 0.242 155 I C 2.346 178.461 176.117 -0.005 0.000 1.088 155 I CA 1.092 62.388 61.300 -0.008 0.000 1.357 155 I CB -0.313 37.681 38.000 -0.010 0.000 1.051 155 I HN 0.152 nan 8.210 nan 0.000 0.409 156 V N 1.043 120.958 119.914 0.001 0.000 2.332 156 V HA -0.303 3.814 4.120 -0.005 0.000 0.248 156 V C 2.398 178.493 176.094 0.001 0.000 1.055 156 V CA 1.907 64.206 62.300 -0.003 0.000 1.038 156 V CB -0.678 31.142 31.823 -0.004 0.000 0.651 156 V HN 0.408 nan 8.190 nan 0.000 0.450 157 K N -0.351 120.053 120.400 0.008 0.000 2.031 157 K HA -0.160 4.157 4.320 -0.005 0.000 0.205 157 K C 2.227 178.828 176.600 0.002 0.000 1.049 157 K CA 1.373 57.665 56.287 0.008 0.000 0.939 157 K CB -0.164 32.346 32.500 0.017 0.000 0.717 157 K HN 0.305 nan 8.250 nan 0.000 0.438 158 E N 0.717 120.917 120.200 -0.001 0.000 2.153 158 E HA -0.125 4.222 4.350 -0.005 0.000 0.194 158 E C 1.404 177.998 176.600 -0.010 0.000 0.988 158 E CA 0.860 57.255 56.400 -0.010 0.000 0.811 158 E CB 0.137 29.824 29.700 -0.021 0.000 0.746 158 E HN 0.041 nan 8.360 nan 0.000 0.466 159 L N -1.427 119.791 121.223 -0.009 0.000 2.477 159 L HA 0.288 4.625 4.340 -0.005 0.000 0.220 159 L C 1.227 178.096 176.870 -0.003 0.000 1.106 159 L CA 0.943 55.779 54.840 -0.007 0.000 0.851 159 L CB 0.331 42.385 42.059 -0.008 0.000 0.994 159 L HN 0.247 nan 8.230 nan 0.000 0.462 160 G N 0.091 108.889 108.800 -0.002 0.000 2.204 160 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.244 160 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.244 160 G C 0.135 175.036 174.900 0.000 0.000 1.062 160 G CA 0.075 45.175 45.100 -0.000 0.000 0.798 160 G HN 0.213 nan 8.290 nan 0.000 0.496 161 L N 0.271 121.492 121.223 -0.003 0.000 2.456 161 L HA 0.582 4.919 4.340 -0.005 0.000 0.257 161 L C 1.513 178.379 176.870 -0.008 0.000 1.162 161 L CA -0.313 54.524 54.840 -0.006 0.000 0.808 161 L CB 1.192 43.243 42.059 -0.014 0.000 1.136 161 L HN 0.286 nan 8.230 nan 0.000 0.466 162 S N 1.065 116.758 115.700 -0.011 0.000 2.546 162 S HA 0.086 4.554 4.470 -0.005 0.000 0.290 162 S C -1.634 172.957 174.600 -0.014 0.000 1.290 162 S CA -0.962 57.232 58.200 -0.011 0.000 1.069 162 S CB 0.678 63.870 63.200 -0.012 0.000 0.846 162 S HN 0.364 nan 8.310 nan 0.000 0.495 163 P HA -0.013 nan 4.420 nan 0.000 0.230 163 P C 0.909 178.201 177.300 -0.014 0.000 1.158 163 P CA 0.690 63.785 63.100 -0.009 0.000 0.769 163 P CB 0.059 31.756 31.700 -0.005 0.000 0.807 164 S N -1.849 113.842 115.700 -0.016 0.000 2.597 164 S HA 0.148 4.615 4.470 -0.005 0.000 0.224 164 S C 0.606 175.186 174.600 -0.033 0.000 0.955 164 S CA -0.440 57.749 58.200 -0.019 0.000 0.933 164 S CB -0.975 62.217 63.200 -0.014 0.000 0.788 164 S HN -0.035 nan 8.310 nan 0.000 0.488 165 I N 2.845 123.390 120.570 -0.041 0.000 2.634 165 I HA 0.094 4.261 4.170 -0.005 0.000 0.284 165 I C 0.381 176.445 176.117 -0.088 0.000 1.124 165 I CA -0.243 61.015 61.300 -0.070 0.000 1.417 165 I CB 0.947 38.905 38.000 -0.070 0.000 1.396 165 I HN 0.189 nan 8.210 nan 0.000 0.571 166 S N 6.518 122.136 115.700 -0.137 0.000 2.564 166 S HA 0.425 4.892 4.470 -0.005 0.000 0.278 166 S C -0.125 174.386 174.600 -0.148 0.000 1.333 166 S CA -0.518 57.597 58.200 -0.142 0.000 1.048 166 S CB 0.713 63.797 63.200 -0.193 0.000 0.900 166 S HN 0.484 nan 8.310 nan 0.000 0.505 167 R N 0.930 121.372 120.500 -0.097 0.000 2.651 167 R HA 0.679 5.016 4.340 -0.005 0.000 0.278 167 R C -1.787 174.481 176.300 -0.054 0.000 1.010 167 R CA -0.666 55.388 56.100 -0.076 0.000 0.896 167 R CB 2.010 32.282 30.300 -0.047 0.000 1.211 167 R HN 0.416 nan 8.270 nan 0.000 0.456 168 V N 2.436 122.321 119.914 -0.047 0.000 2.733 168 V HA 0.365 4.482 4.120 -0.005 0.000 0.306 168 V C -0.649 175.437 176.094 -0.013 0.000 1.084 168 V CA -0.927 61.356 62.300 -0.028 0.000 0.905 168 V CB 2.215 34.022 31.823 -0.028 0.000 1.010 168 V HN 0.447 nan 8.190 nan 0.000 0.424 169 V N 4.925 124.838 119.914 -0.003 0.000 2.347 169 V HA 0.398 4.515 4.120 -0.005 0.000 0.280 169 V C -0.090 176.012 176.094 0.013 0.000 1.021 169 V CA -0.567 61.742 62.300 0.015 0.000 0.847 169 V CB 1.731 33.568 31.823 0.024 0.000 0.990 169 V HN 0.643 nan 8.190 nan 0.000 0.444 170 V N 5.882 125.812 119.914 0.027 0.000 2.318 170 V HA 0.425 4.542 4.120 -0.005 0.000 0.271 170 V C 0.057 176.192 176.094 0.067 0.000 1.030 170 V CA -0.528 61.791 62.300 0.031 0.000 0.844 170 V CB 0.687 32.525 31.823 0.024 0.000 1.015 170 V HN 0.822 nan 8.190 nan 0.000 0.460 171 N N 3.367 122.106 118.700 0.066 0.000 2.384 171 N HA 0.530 5.268 4.740 -0.005 0.000 0.301 171 N C 0.040 175.694 175.510 0.240 0.000 1.133 171 N CA -0.693 52.444 53.050 0.146 0.000 0.853 171 N CB 1.513 40.008 38.487 0.013 0.000 1.241 171 N HN 0.474 nan 8.380 nan 0.000 0.502 172 F N -0.062 119.963 119.950 0.125 0.000 3.084 172 F HA -0.205 4.319 4.527 -0.004 0.000 0.286 172 F C 1.032 176.852 175.800 0.034 0.000 0.855 172 F CA 0.302 58.358 58.000 0.092 0.000 1.091 172 F CB -1.317 37.718 39.000 0.059 0.000 1.177 172 F HN 0.570 nan 8.300 nan 0.000 0.542 173 M N -0.840 118.848 119.600 0.147 0.000 2.383 173 M HA 0.299 4.776 4.480 -0.005 0.000 0.247 173 M C 1.640 177.933 176.300 -0.012 0.000 1.117 173 M CA 0.756 56.083 55.300 0.045 0.000 0.995 173 M CB -0.292 32.327 32.600 0.032 0.000 1.480 173 M HN 0.393 nan 8.290 nan 0.000 0.485 174 G N 0.967 109.758 108.800 -0.016 0.000 2.574 174 G HA2 -0.324 3.633 3.960 -0.005 0.000 0.282 174 G HA3 -0.324 3.633 3.960 -0.005 0.000 0.282 174 G C 0.563 175.392 174.900 -0.119 0.000 1.257 174 G CA 0.127 45.182 45.100 -0.075 0.000 0.956 174 G HN 0.454 nan 8.290 nan 0.000 0.560 175 C N 0.858 120.047 119.300 -0.186 0.000 2.409 175 C HA 0.270 4.728 4.460 -0.005 0.000 0.284 175 C C 3.098 177.856 174.990 -0.387 0.000 1.354 175 C CA 1.877 60.684 59.018 -0.350 0.000 1.787 175 C CB -1.632 25.796 27.740 -0.520 0.000 1.900 175 C HN 1.255 nan 8.230 nan 0.000 0.520 176 A N -0.228 122.445 122.820 -0.245 0.000 2.387 176 A HA 0.569 4.886 4.320 -0.005 0.000 0.234 176 A C 2.076 179.580 177.584 -0.132 0.000 1.253 176 A CA 0.828 52.741 52.037 -0.207 0.000 0.894 176 A CB -0.345 18.550 19.000 -0.175 0.000 0.963 176 A HN 0.435 nan 8.150 nan 0.000 0.508 177 A N 0.422 123.183 122.820 -0.099 0.000 1.986 177 A HA 0.027 4.344 4.320 -0.005 0.000 0.220 177 A C 2.394 179.945 177.584 -0.054 0.000 1.171 177 A CA 2.024 54.029 52.037 -0.054 0.000 0.640 177 A CB -0.812 18.175 19.000 -0.021 0.000 0.811 177 A HN 1.137 nan 8.150 nan 0.000 0.451 178 A N -0.945 121.834 122.820 -0.068 0.000 1.948 178 A HA -0.179 4.138 4.320 -0.005 0.000 0.220 178 A C 2.160 179.702 177.584 -0.070 0.000 1.177 178 A CA 2.055 54.056 52.037 -0.060 0.000 0.636 178 A CB -0.454 18.508 19.000 -0.063 0.000 0.815 178 A HN 0.470 nan 8.150 nan 0.000 0.449 179 M N -0.037 119.508 119.600 -0.092 0.000 2.156 179 M HA -0.069 4.408 4.480 -0.005 0.000 0.264 179 M C 1.676 177.930 176.300 -0.076 0.000 1.067 179 M CA 1.037 56.276 55.300 -0.103 0.000 1.131 179 M CB -1.550 30.959 32.600 -0.152 0.000 1.368 179 M HN 0.459 nan 8.290 nan 0.000 0.416 180 N N 0.748 119.410 118.700 -0.063 0.000 2.188 180 N HA -0.071 4.666 4.740 -0.005 0.000 0.184 180 N C 1.760 177.255 175.510 -0.025 0.000 1.018 180 N CA 1.572 54.599 53.050 -0.039 0.000 0.858 180 N CB -0.098 38.373 38.487 -0.027 0.000 0.989 180 N HN 0.314 nan 8.380 nan 0.000 0.426 181 A N 1.564 124.367 122.820 -0.027 0.000 1.855 181 A HA -0.091 4.226 4.320 -0.005 0.000 0.215 181 A C 2.239 179.812 177.584 -0.019 0.000 1.191 181 A CA 0.893 52.918 52.037 -0.020 0.000 0.613 181 A CB -0.783 18.205 19.000 -0.020 0.000 0.829 181 A HN 0.198 nan 8.150 nan 0.000 0.442 182 L N 0.359 121.564 121.223 -0.029 0.000 2.079 182 L HA -0.059 4.279 4.340 -0.005 0.000 0.210 182 L C 2.347 179.212 176.870 -0.009 0.000 1.081 182 L CA 2.225 57.050 54.840 -0.025 0.000 0.752 182 L CB -1.069 40.964 42.059 -0.044 0.000 0.896 182 L HN 0.320 nan 8.230 nan 0.000 0.433 183 G N -2.059 106.733 108.800 -0.013 0.000 2.418 183 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.217 183 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.217 183 G C 1.445 176.359 174.900 0.023 0.000 1.158 183 G CA 1.144 46.245 45.100 0.001 0.000 0.771 183 G HN 0.428 nan 8.290 nan 0.000 0.545 184 T N 1.543 116.110 114.554 0.021 0.000 2.788 184 T HA 0.032 4.379 4.350 -0.005 0.000 0.268 184 T C 2.782 177.527 174.700 0.076 0.000 1.044 184 T CA 1.455 63.579 62.100 0.041 0.000 1.139 184 T CB -0.280 68.598 68.868 0.018 0.000 0.867 184 T HN 0.369 nan 8.240 nan 0.000 0.454 185 A N 1.019 123.872 122.820 0.054 0.000 1.929 185 A HA -0.057 4.260 4.320 -0.005 0.000 0.216 185 A C 2.546 180.206 177.584 0.127 0.000 1.176 185 A CA 1.747 53.835 52.037 0.086 0.000 0.628 185 A CB -1.088 17.930 19.000 0.031 0.000 0.816 185 A HN 0.429 nan 8.150 nan 0.000 0.444 186 T N 0.846 115.444 114.554 0.073 0.000 2.708 186 T HA -0.130 4.217 4.350 -0.005 0.000 0.266 186 T C 1.883 176.619 174.700 0.060 0.000 1.037 186 T CA 1.550 63.684 62.100 0.055 0.000 1.146 186 T CB -0.375 68.512 68.868 0.031 0.000 0.865 186 T HN 0.511 nan 8.240 nan 0.000 0.435 187 N N 0.392 119.134 118.700 0.071 0.000 2.106 187 N HA -0.084 4.653 4.740 -0.005 0.000 0.188 187 N C 1.609 177.165 175.510 0.076 0.000 1.029 187 N CA 1.044 54.129 53.050 0.057 0.000 0.848 187 N CB -0.652 37.872 38.487 0.062 0.000 1.007 187 N HN 0.445 nan 8.380 nan 0.000 0.423 188 Y N 2.142 122.472 120.300 0.051 0.000 2.053 188 Y HA -0.215 4.330 4.550 -0.008 0.000 0.277 188 Y C 2.432 178.419 175.900 0.145 0.000 1.159 188 Y CA 1.435 59.607 58.100 0.121 0.000 1.125 188 Y CB -0.707 37.794 38.460 0.069 0.000 0.969 188 Y HN -0.193 nan 8.280 nan 0.000 0.492 189 V N 0.955 120.889 119.914 0.033 0.000 2.392 189 V HA -0.320 3.797 4.120 -0.005 0.000 0.249 189 V C 2.453 178.479 176.094 -0.112 0.000 1.059 189 V CA 2.356 64.626 62.300 -0.050 0.000 1.051 189 V CB -0.500 31.360 31.823 0.061 0.000 0.658 189 V HN 0.418 nan 8.190 nan 0.000 0.455 190 R N -0.563 119.886 120.500 -0.085 0.000 2.148 190 R HA -0.017 4.320 4.340 -0.005 0.000 0.223 190 R C 2.217 178.408 176.300 -0.181 0.000 1.088 190 R CA 1.246 57.287 56.100 -0.098 0.000 0.985 190 R CB -0.336 29.930 30.300 -0.058 0.000 0.880 190 R HN 0.537 nan 8.270 nan 0.000 0.451 191 A N 0.095 122.750 122.820 -0.275 0.000 2.072 191 A HA -0.032 4.285 4.320 -0.005 0.000 0.216 191 A C 0.084 177.141 177.584 -0.877 0.000 1.156 191 A CA 0.798 52.531 52.037 -0.507 0.000 0.701 191 A CB 0.026 18.725 19.000 -0.501 0.000 0.816 191 A HN 0.318 nan 8.150 nan 0.000 0.458 192 H N -1.690 117.158 119.070 -0.370 0.000 2.429 192 H HA 0.295 4.847 4.556 -0.007 0.000 0.231 192 H C -2.330 172.845 175.328 -0.254 0.000 1.416 192 H CA -1.503 54.337 56.048 -0.347 0.000 1.443 192 H CB 0.570 29.995 29.762 -0.560 0.000 1.591 192 H HN 0.152 nan 8.280 nan 0.000 0.507 193 P HA -0.229 nan 4.420 nan 0.000 0.218 193 P C 1.265 178.536 177.300 -0.048 0.000 1.146 193 P CA 1.556 64.611 63.100 -0.075 0.000 0.820 193 P CB 0.364 32.023 31.700 -0.068 0.000 0.778 194 A N -2.808 119.991 122.820 -0.035 0.000 2.251 194 A HA 0.135 4.452 4.320 -0.005 0.000 0.209 194 A C 0.955 178.519 177.584 -0.034 0.000 1.187 194 A CA 0.639 52.662 52.037 -0.024 0.000 0.823 194 A CB -0.502 18.494 19.000 -0.007 0.000 0.846 194 A HN 0.032 nan 8.150 nan 0.000 0.486 195 M N 0.046 119.629 119.600 -0.029 0.000 2.705 195 M HA 0.487 4.964 4.480 -0.005 0.000 0.311 195 M C -0.466 175.829 176.300 -0.009 0.000 1.214 195 M CA -0.441 54.861 55.300 0.003 0.000 0.920 195 M CB 1.377 34.041 32.600 0.107 0.000 1.687 195 M HN -0.073 nan 8.290 nan 0.000 0.481 196 K N 0.657 121.040 120.400 -0.028 0.000 2.295 196 K HA 0.896 5.213 4.320 -0.005 0.000 0.239 196 K C -1.056 175.562 176.600 0.030 0.000 0.991 196 K CA -0.723 55.513 56.287 -0.085 0.000 0.845 196 K CB 1.977 34.276 32.500 -0.335 0.000 1.197 196 K HN 0.772 nan 8.250 nan 0.000 0.441 197 A N 1.105 123.928 122.820 0.006 0.000 2.386 197 A HA 0.664 4.981 4.320 -0.005 0.000 0.311 197 A C -1.537 176.017 177.584 -0.050 0.000 1.068 197 A CA -0.677 51.331 52.037 -0.047 0.000 0.743 197 A CB 1.114 20.118 19.000 0.007 0.000 1.258 197 A HN 0.478 nan 8.150 nan 0.000 0.429 198 L N 2.739 123.918 121.223 -0.074 0.000 2.305 198 L HA 0.675 5.012 4.340 -0.005 0.000 0.284 198 L C -1.101 175.740 176.870 -0.048 0.000 1.013 198 L CA -0.306 54.507 54.840 -0.046 0.000 0.819 198 L CB 1.623 43.657 42.059 -0.042 0.000 1.227 198 L HN 0.402 nan 8.230 nan 0.000 0.417 199 V N 6.105 125.999 119.914 -0.033 0.000 2.370 199 V HA 0.550 4.667 4.120 -0.005 0.000 0.283 199 V C -0.498 175.583 176.094 -0.022 0.000 1.023 199 V CA -0.571 61.711 62.300 -0.030 0.000 0.857 199 V CB 1.761 33.567 31.823 -0.029 0.000 0.985 199 V HN 0.516 nan 8.190 nan 0.000 0.443 200 V N 4.329 124.235 119.914 -0.014 0.000 2.444 200 V HA 0.399 4.516 4.120 -0.005 0.000 0.294 200 V C -0.288 175.813 176.094 0.012 0.000 1.022 200 V CA -0.464 61.833 62.300 -0.004 0.000 0.850 200 V CB 1.729 33.551 31.823 -0.002 0.000 0.992 200 V HN 0.937 nan 8.190 nan 0.000 0.426 201 C N 6.691 126.000 119.300 0.014 0.000 2.322 201 C HA 0.776 5.233 4.460 -0.005 0.000 0.324 201 C C -0.060 174.953 174.990 0.039 0.000 1.284 201 C CA -0.658 58.376 59.018 0.027 0.000 1.606 201 C CB 0.039 27.786 27.740 0.012 0.000 2.251 201 C HN 0.778 nan 8.230 nan 0.000 0.502 202 I N 2.084 122.697 120.570 0.071 0.000 2.499 202 I HA 0.644 4.811 4.170 -0.005 0.000 0.288 202 I C -0.652 175.550 176.117 0.142 0.000 1.048 202 I CA -0.430 60.921 61.300 0.085 0.000 1.062 202 I CB 1.609 39.666 38.000 0.095 0.000 1.238 202 I HN 0.361 nan 8.210 nan 0.000 0.426 203 E N 5.125 125.381 120.200 0.092 0.000 2.260 203 E HA 0.630 4.977 4.350 -0.005 0.000 0.266 203 E C -1.629 175.023 176.600 0.087 0.000 0.887 203 E CA -0.397 56.061 56.400 0.098 0.000 0.777 203 E CB 1.857 31.552 29.700 -0.009 0.000 1.205 203 E HN 0.483 nan 8.360 nan 0.000 0.414 204 L N 4.499 125.832 121.223 0.184 0.000 2.495 204 L HA 0.281 4.618 4.340 -0.005 0.000 0.248 204 L C 0.257 177.182 176.870 0.090 0.000 1.229 204 L CA -0.197 54.711 54.840 0.113 0.000 0.942 204 L CB 0.328 42.457 42.059 0.116 0.000 1.242 204 L HN 0.780 nan 8.230 nan 0.000 0.484 205 C N -0.773 118.545 119.300 0.030 0.000 2.440 205 C HA -0.133 4.324 4.460 -0.005 0.000 0.278 205 C C 2.688 177.643 174.990 -0.058 0.000 1.295 205 C CA 1.037 60.063 59.018 0.015 0.000 1.738 205 C CB -0.665 27.125 27.740 0.083 0.000 1.987 205 C HN 0.884 nan 8.230 nan 0.000 0.492 206 S N 0.988 116.642 115.700 -0.076 0.000 2.420 206 S HA -0.165 4.302 4.470 -0.005 0.000 0.237 206 S C 1.599 176.106 174.600 -0.155 0.000 1.023 206 S CA 1.697 59.814 58.200 -0.138 0.000 0.991 206 S CB -0.834 62.280 63.200 -0.143 0.000 0.792 206 S HN 0.429 nan 8.310 nan 0.000 0.488 207 V N 2.328 122.187 119.914 -0.090 0.000 2.913 207 V HA -0.014 4.103 4.120 -0.005 0.000 0.260 207 V C 1.080 177.176 176.094 0.003 0.000 1.098 207 V CA 1.656 63.937 62.300 -0.033 0.000 1.121 207 V CB -0.943 30.930 31.823 0.082 0.000 0.714 207 V HN 0.571 nan 8.190 nan 0.000 0.487 208 N N -0.032 118.635 118.700 -0.055 0.000 2.204 208 N HA 0.343 5.080 4.740 -0.005 0.000 0.219 208 N C 0.297 175.721 175.510 -0.143 0.000 1.151 208 N CA 0.331 53.341 53.050 -0.068 0.000 0.867 208 N CB 0.474 38.920 38.487 -0.068 0.000 1.043 208 N HN 0.362 nan 8.380 nan 0.000 0.516 209 A N 0.121 122.809 122.820 -0.220 0.000 2.520 209 A HA 0.222 4.539 4.320 -0.005 0.000 0.245 209 A C 0.930 178.414 177.584 -0.167 0.000 1.072 209 A CA 0.190 51.987 52.037 -0.401 0.000 0.761 209 A CB 0.344 19.056 19.000 -0.480 0.000 1.004 209 A HN 0.130 nan 8.150 nan 0.000 0.499 210 V N 1.825 121.732 119.914 -0.012 0.000 3.408 210 V HA 0.126 4.243 4.120 -0.005 0.000 0.263 210 V C -0.197 175.984 176.094 0.147 0.000 1.503 210 V CA 0.158 62.498 62.300 0.066 0.000 1.046 210 V CB -0.788 31.048 31.823 0.022 0.000 0.851 210 V HN 0.966 nan 8.190 nan 0.000 0.435 211 F N 0.856 120.881 119.950 0.126 0.000 2.797 211 F HA -0.161 4.363 4.527 -0.004 0.000 0.273 211 F C 0.848 176.563 175.800 -0.143 0.000 1.020 211 F CA 0.278 58.218 58.000 -0.100 0.000 0.961 211 F CB -1.648 37.385 39.000 0.055 0.000 1.020 211 F HN 0.242 nan 8.300 nan 0.000 0.840 212 A N 0.095 122.830 122.820 -0.143 0.000 2.249 212 A HA 0.465 4.782 4.320 -0.005 0.000 0.281 212 A C 1.254 178.804 177.584 -0.058 0.000 1.127 212 A CA 0.208 52.203 52.037 -0.070 0.000 0.833 212 A CB 0.330 19.273 19.000 -0.094 0.000 1.140 212 A HN 0.348 nan 8.150 nan 0.000 0.502 213 D N -0.153 120.230 120.400 -0.029 0.000 2.123 213 D HA -0.054 4.583 4.640 -0.005 0.000 0.200 213 D C 0.499 176.781 176.300 -0.028 0.000 0.976 213 D CA 1.436 55.425 54.000 -0.018 0.000 0.831 213 D CB -0.102 40.695 40.800 -0.005 0.000 0.974 213 D HN 0.749 nan 8.370 nan 0.000 0.469 214 D N 0.359 120.737 120.400 -0.038 0.000 2.406 214 D HA -0.121 4.516 4.640 -0.005 0.000 0.234 214 D C 1.545 177.818 176.300 -0.045 0.000 1.196 214 D CA 0.008 53.986 54.000 -0.036 0.000 0.881 214 D CB 0.916 41.694 40.800 -0.036 0.000 1.205 214 D HN 0.166 nan 8.370 nan 0.000 0.453 215 I N 0.474 121.025 120.570 -0.032 0.000 2.252 215 I HA -0.245 3.922 4.170 -0.005 0.000 0.245 215 I C 2.476 178.566 176.117 -0.046 0.000 1.102 215 I CA 0.806 62.088 61.300 -0.029 0.000 1.385 215 I CB -0.619 37.369 38.000 -0.019 0.000 1.064 215 I HN 0.530 nan 8.210 nan 0.000 0.414 216 N N 1.250 119.920 118.700 -0.051 0.000 2.166 216 N HA -0.248 4.489 4.740 -0.005 0.000 0.186 216 N C 1.493 176.943 175.510 -0.100 0.000 1.019 216 N CA 1.941 54.953 53.050 -0.063 0.000 0.856 216 N CB -0.098 38.361 38.487 -0.046 0.000 0.993 216 N HN 0.328 nan 8.380 nan 0.000 0.426 217 D N -0.385 119.943 120.400 -0.121 0.000 2.117 217 D HA -0.049 4.589 4.640 -0.005 0.000 0.198 217 D C 2.050 178.196 176.300 -0.256 0.000 0.982 217 D CA 0.709 54.583 54.000 -0.210 0.000 0.828 217 D CB 0.253 40.893 40.800 -0.267 0.000 0.967 217 D HN 0.025 nan 8.370 nan 0.000 0.464 218 V N -0.183 119.640 119.914 -0.152 0.000 2.407 218 V HA -0.204 3.913 4.120 -0.005 0.000 0.248 218 V C 2.418 178.490 176.094 -0.038 0.000 1.055 218 V CA 1.062 63.332 62.300 -0.050 0.000 1.049 218 V CB -0.317 31.515 31.823 0.016 0.000 0.662 218 V HN 0.156 nan 8.190 nan 0.000 0.455 219 V N 1.178 121.043 119.914 -0.081 0.000 2.244 219 V HA -0.257 3.860 4.120 -0.005 0.000 0.244 219 V C 2.308 178.282 176.094 -0.200 0.000 1.042 219 V CA 2.483 64.715 62.300 -0.113 0.000 1.006 219 V CB -0.665 31.107 31.823 -0.085 0.000 0.641 219 V HN 0.650 nan 8.190 nan 0.000 0.446 220 I N -1.549 118.840 120.570 -0.302 0.000 2.361 220 I HA -0.256 3.911 4.170 -0.005 0.000 0.251 220 I C 2.362 178.136 176.117 -0.572 0.000 1.133 220 I CA 1.980 62.828 61.300 -0.752 0.000 1.413 220 I CB -1.021 36.345 38.000 -1.057 0.000 1.073 220 I HN 0.377 nan 8.210 nan 0.000 0.424 221 H N 1.278 120.106 119.070 -0.403 0.000 2.521 221 H HA -0.048 4.505 4.556 -0.005 0.000 0.286 221 H C 2.381 177.621 175.328 -0.148 0.000 1.034 221 H CA 1.260 57.159 56.048 -0.248 0.000 1.278 221 H CB 0.249 29.908 29.762 -0.171 0.000 1.386 221 H HN 0.611 nan 8.280 nan 0.000 0.567 222 S N -0.238 115.353 115.700 -0.182 0.000 2.503 222 S HA 0.074 4.541 4.470 -0.005 0.000 0.215 222 S C 1.811 176.240 174.600 -0.285 0.000 1.003 222 S CA -0.154 57.729 58.200 -0.528 0.000 0.910 222 S CB 0.045 62.612 63.200 -1.054 0.000 0.790 222 S HN 0.231 nan 8.310 nan 0.000 0.514 223 L N -0.463 120.687 121.223 -0.122 0.000 2.388 223 L HA 0.435 4.772 4.340 -0.005 0.000 0.209 223 L C -0.106 176.939 176.870 0.293 0.000 1.061 223 L CA -0.056 54.829 54.840 0.075 0.000 0.834 223 L CB -0.060 42.090 42.059 0.152 0.000 1.029 223 L HN 0.208 nan 8.230 nan 0.000 0.473 224 F N 1.085 120.992 119.950 -0.073 0.000 2.484 224 F HA 0.469 4.993 4.527 -0.005 0.000 0.360 224 F C 0.970 176.730 175.800 -0.067 0.000 1.101 224 F CA -0.997 56.961 58.000 -0.071 0.000 1.251 224 F CB 0.137 39.080 39.000 -0.095 0.000 1.132 224 F HN -0.171 nan 8.300 nan 0.000 0.570 225 G N 1.537 110.390 108.800 0.088 0.000 2.818 225 G HA2 0.527 4.484 3.960 -0.005 0.000 0.286 225 G HA3 0.527 4.484 3.960 -0.005 0.000 0.286 225 G C -1.745 173.148 174.900 -0.013 0.000 1.364 225 G CA -0.770 44.352 45.100 0.038 0.000 0.938 225 G HN 0.365 nan 8.290 nan 0.000 0.490 226 D N -0.966 119.428 120.400 -0.009 0.000 2.185 226 D HA 0.704 5.341 4.640 -0.005 0.000 0.247 226 D C 0.421 176.687 176.300 -0.056 0.000 1.027 226 D CA 0.339 54.322 54.000 -0.029 0.000 0.861 226 D CB 1.793 42.579 40.800 -0.023 0.000 1.202 226 D HN 0.756 nan 8.370 nan 0.000 0.453 227 G N -0.856 107.901 108.800 -0.071 0.000 2.506 227 G HA2 0.511 4.468 3.960 -0.005 0.000 0.292 227 G HA3 0.511 4.468 3.960 -0.005 0.000 0.292 227 G C -1.724 173.170 174.900 -0.010 0.000 1.425 227 G CA -0.527 44.525 45.100 -0.081 0.000 0.788 227 G HN 0.647 nan 8.290 nan 0.000 0.490 228 C N -0.398 118.949 119.300 0.079 0.000 3.082 228 C HA 1.008 5.465 4.460 -0.005 0.000 0.324 228 C C -0.444 174.618 174.990 0.120 0.000 1.210 228 C CA 0.703 59.763 59.018 0.069 0.000 1.366 228 C CB 0.666 28.416 27.740 0.015 0.000 1.756 228 C HN 2.196 nan 8.230 nan 0.000 0.485 229 A N 2.562 125.419 122.820 0.062 0.000 2.604 229 A HA 0.998 5.315 4.320 -0.005 0.000 0.295 229 A C -1.085 176.490 177.584 -0.015 0.000 1.067 229 A CA 0.197 52.242 52.037 0.013 0.000 0.683 229 A CB 1.325 20.363 19.000 0.064 0.000 1.281 229 A HN 2.404 nan 8.150 nan 0.000 0.407 230 A N 0.861 123.655 122.820 -0.044 0.000 2.515 230 A HA 0.809 5.126 4.320 -0.005 0.000 0.298 230 A C -1.390 176.168 177.584 -0.044 0.000 1.059 230 A CA -0.401 51.614 52.037 -0.037 0.000 0.698 230 A CB 1.045 20.025 19.000 -0.033 0.000 1.289 230 A HN 1.037 nan 8.150 nan 0.000 0.404 231 L N 1.473 122.675 121.223 -0.035 0.000 2.381 231 L HA 0.655 4.992 4.340 -0.005 0.000 0.268 231 L C -0.911 175.950 176.870 -0.014 0.000 0.997 231 L CA -1.140 53.680 54.840 -0.033 0.000 0.818 231 L CB 2.156 44.190 42.059 -0.042 0.000 1.310 231 L HN 0.408 nan 8.230 nan 0.000 0.416 232 V N 3.799 123.716 119.914 0.004 0.000 2.347 232 V HA 0.419 4.536 4.120 -0.005 0.000 0.280 232 V C -0.138 175.975 176.094 0.032 0.000 1.021 232 V CA -0.287 62.031 62.300 0.031 0.000 0.847 232 V CB 1.537 33.412 31.823 0.087 0.000 0.990 232 V HN 0.417 nan 8.190 nan 0.000 0.444 233 I N 3.858 124.436 120.570 0.014 0.000 2.525 233 I HA 0.885 5.052 4.170 -0.005 0.000 0.301 233 I C 0.718 176.838 176.117 0.004 0.000 0.992 233 I CA 0.205 61.515 61.300 0.017 0.000 1.162 233 I CB 1.953 39.965 38.000 0.021 0.000 1.332 233 I HN 0.703 nan 8.210 nan 0.000 0.458 234 G N 2.397 111.203 108.800 0.010 0.000 2.708 234 G HA2 0.829 4.787 3.960 -0.005 0.000 0.289 234 G HA3 0.829 4.787 3.960 -0.005 0.000 0.289 234 G C -1.984 172.918 174.900 0.003 0.000 1.416 234 G CA -0.670 44.420 45.100 -0.016 0.000 0.829 234 G HN 0.771 nan 8.290 nan 0.000 0.480 235 A N -0.519 122.295 122.820 -0.010 0.000 2.340 235 A HA 0.911 5.228 4.320 -0.005 0.000 0.331 235 A C -0.071 177.514 177.584 0.002 0.000 1.140 235 A CA -0.230 51.803 52.037 -0.007 0.000 0.801 235 A CB 1.769 20.753 19.000 -0.028 0.000 1.234 235 A HN 1.774 nan 8.150 nan 0.000 0.469 236 S N 0.725 116.428 115.700 0.005 0.000 2.556 236 S HA 0.446 4.913 4.470 -0.005 0.000 0.271 236 S C -0.839 173.764 174.600 0.004 0.000 1.135 236 S CA -0.590 57.617 58.200 0.011 0.000 0.858 236 S CB 1.202 64.416 63.200 0.023 0.000 1.114 236 S HN 0.782 nan 8.310 nan 0.000 0.468 237 Q N 1.375 121.177 119.800 0.004 0.000 2.454 237 Q HA 0.195 4.532 4.340 -0.005 0.000 0.247 237 Q C 1.253 177.253 176.000 0.001 0.000 1.028 237 Q CA -0.174 55.629 55.803 -0.001 0.000 0.910 237 Q CB 0.653 29.390 28.738 -0.001 0.000 1.276 237 Q HN 0.615 nan 8.270 nan 0.000 0.489 238 V N 1.369 121.282 119.914 -0.002 0.000 2.427 238 V HA -0.259 3.858 4.120 -0.005 0.000 0.248 238 V C 1.856 177.950 176.094 -0.001 0.000 1.051 238 V CA 1.734 64.033 62.300 -0.002 0.000 1.048 238 V CB -0.553 31.267 31.823 -0.006 0.000 0.666 238 V HN 0.726 nan 8.190 nan 0.000 0.456 239 Q N 0.230 120.029 119.800 -0.001 0.000 2.224 239 Q HA -0.112 4.225 4.340 -0.005 0.000 0.203 239 Q C 1.216 177.217 176.000 0.002 0.000 0.970 239 Q CA 0.583 56.386 55.803 -0.001 0.000 0.865 239 Q CB -0.071 28.666 28.738 -0.002 0.000 0.922 239 Q HN 0.660 nan 8.270 nan 0.000 0.445 240 E N 2.028 122.230 120.200 0.005 0.000 2.480 240 E HA -0.059 4.288 4.350 -0.005 0.000 0.258 240 E C -0.801 175.804 176.600 0.008 0.000 0.984 240 E CA 0.181 56.586 56.400 0.008 0.000 0.930 240 E CB 0.459 30.167 29.700 0.013 0.000 0.936 240 E HN 0.036 nan 8.360 nan 0.000 0.466 241 K N 5.342 125.747 120.400 0.007 0.000 2.273 241 K HA 0.200 4.517 4.320 -0.005 0.000 0.287 241 K C -0.192 176.413 176.600 0.009 0.000 1.089 241 K CA -0.252 56.039 56.287 0.006 0.000 0.909 241 K CB 0.475 32.978 32.500 0.004 0.000 1.123 241 K HN 0.420 nan 8.250 nan 0.000 0.473 242 L N 3.070 124.300 121.223 0.011 0.000 2.452 242 L HA 0.075 4.412 4.340 -0.005 0.000 0.267 242 L C 1.060 177.936 176.870 0.010 0.000 1.188 242 L CA -0.202 54.647 54.840 0.014 0.000 0.821 242 L CB 0.229 42.299 42.059 0.019 0.000 1.102 242 L HN 0.636 nan 8.230 nan 0.000 0.470 243 E N 2.046 122.251 120.200 0.008 0.000 2.318 243 E HA 0.384 4.731 4.350 -0.005 0.000 0.265 243 E C -2.549 174.053 176.600 0.005 0.000 1.069 243 E CA -2.271 54.131 56.400 0.003 0.000 0.893 243 E CB 0.346 30.044 29.700 -0.003 0.000 1.076 243 E HN 0.265 nan 8.360 nan 0.000 0.414 244 P HA -0.009 nan 4.420 nan 0.000 0.264 244 P C 0.584 177.886 177.300 0.003 0.000 1.183 244 P CA 1.592 64.695 63.100 0.005 0.000 0.763 244 P CB 0.522 32.224 31.700 0.002 0.000 0.807 245 G N 1.409 110.214 108.800 0.008 0.000 2.284 245 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.230 245 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.230 245 G C 0.189 175.090 174.900 0.003 0.000 1.021 245 G CA -0.149 44.953 45.100 0.002 0.000 0.619 245 G HN 0.531 nan 8.290 nan 0.000 0.510 246 K N 0.588 120.993 120.400 0.009 0.000 2.382 246 K HA 0.561 4.878 4.320 -0.005 0.000 0.275 246 K C 0.189 176.803 176.600 0.023 0.000 1.009 246 K CA 0.109 56.404 56.287 0.013 0.000 0.970 246 K CB 1.438 33.950 32.500 0.020 0.000 0.934 246 K HN 0.234 nan 8.250 nan 0.000 0.479 247 V N 3.813 123.737 119.914 0.016 0.000 2.409 247 V HA 0.259 4.376 4.120 -0.005 0.000 0.291 247 V C -0.630 175.490 176.094 0.043 0.000 1.020 247 V CA -1.043 61.276 62.300 0.032 0.000 0.848 247 V CB 1.738 33.535 31.823 -0.044 0.000 0.990 247 V HN 0.408 nan 8.190 nan 0.000 0.430 248 V N 5.881 125.843 119.914 0.079 0.000 2.406 248 V HA 0.235 4.352 4.120 -0.005 0.000 0.272 248 V C 0.256 176.410 176.094 0.099 0.000 1.043 248 V CA -0.443 61.899 62.300 0.069 0.000 0.915 248 V CB 1.711 33.568 31.823 0.057 0.000 0.988 248 V HN 0.624 nan 8.190 nan 0.000 0.466 249 V N 7.739 127.695 119.914 0.070 0.000 2.352 249 V HA 0.196 4.313 4.120 -0.005 0.000 0.253 249 V C 1.403 177.542 176.094 0.075 0.000 1.083 249 V CA 0.052 62.401 62.300 0.082 0.000 0.993 249 V CB 0.061 31.909 31.823 0.041 0.000 1.111 249 V HN 0.817 nan 8.190 nan 0.000 0.490 250 R N 2.217 122.772 120.500 0.092 0.000 2.062 250 R HA 0.060 4.397 4.340 -0.005 0.000 0.229 250 R C 0.811 177.150 176.300 0.065 0.000 1.128 250 R CA 1.090 57.227 56.100 0.062 0.000 0.960 250 R CB 0.112 30.438 30.300 0.044 0.000 0.855 250 R HN 0.590 nan 8.270 nan 0.000 0.432 251 S N 0.126 115.885 115.700 0.098 0.000 2.562 251 S HA 0.255 4.722 4.470 -0.005 0.000 0.274 251 S C -1.021 173.682 174.600 0.172 0.000 1.160 251 S CA -0.829 57.443 58.200 0.119 0.000 0.933 251 S CB 1.565 64.837 63.200 0.119 0.000 1.100 251 S HN 0.246 nan 8.310 nan 0.000 0.468 252 S N 3.541 119.322 115.700 0.135 0.000 2.593 252 S HA 0.952 5.419 4.470 -0.005 0.000 0.297 252 S C -0.594 174.115 174.600 0.182 0.000 1.112 252 S CA -0.650 57.596 58.200 0.077 0.000 1.043 252 S CB 0.922 64.124 63.200 0.004 0.000 1.054 252 S HN 1.199 nan 8.310 nan 0.000 0.516 253 F N -1.373 118.602 119.950 0.042 0.000 2.645 253 F HA 0.886 5.410 4.527 -0.005 0.000 0.310 253 F C -0.900 174.915 175.800 0.025 0.000 1.102 253 F CA -0.875 57.145 58.000 0.034 0.000 0.952 253 F CB 1.247 40.271 39.000 0.041 0.000 1.326 253 F HN 0.595 nan 8.300 nan 0.000 0.456 254 S N 1.065 116.905 115.700 0.233 0.000 2.564 254 S HA 0.680 5.147 4.470 -0.005 0.000 0.274 254 S C -1.729 172.972 174.600 0.169 0.000 1.124 254 S CA -0.781 57.492 58.200 0.122 0.000 0.869 254 S CB 2.113 65.341 63.200 0.046 0.000 1.105 254 S HN 0.648 nan 8.310 nan 0.000 0.472 255 Q N 1.858 121.734 119.800 0.126 0.000 2.444 255 Q HA 0.259 4.596 4.340 -0.005 0.000 0.239 255 Q C -1.655 174.383 176.000 0.062 0.000 0.853 255 Q CA -0.102 55.758 55.803 0.096 0.000 0.856 255 Q CB 1.819 30.623 28.738 0.109 0.000 1.413 255 Q HN 0.756 nan 8.270 nan 0.000 0.437 256 L N 4.519 125.764 121.223 0.036 0.000 2.433 256 L HA 0.285 4.622 4.340 -0.005 0.000 0.275 256 L C -0.393 176.475 176.870 -0.003 0.000 1.128 256 L CA -0.071 54.778 54.840 0.015 0.000 0.875 256 L CB 0.366 42.428 42.059 0.004 0.000 1.171 256 L HN 0.506 nan 8.230 nan 0.000 0.463 257 L N 5.045 126.258 121.223 -0.017 0.000 2.319 257 L HA 0.195 4.532 4.340 -0.005 0.000 0.280 257 L C 0.269 177.083 176.870 -0.093 0.000 1.099 257 L CA -0.671 54.139 54.840 -0.050 0.000 0.828 257 L CB 0.637 42.660 42.059 -0.061 0.000 1.150 257 L HN 0.526 nan 8.230 nan 0.000 0.442 258 D N 4.457 124.810 120.400 -0.077 0.000 2.493 258 D HA -0.079 4.559 4.640 -0.005 0.000 0.240 258 D C 0.251 176.472 176.300 -0.132 0.000 1.142 258 D CA 0.529 54.480 54.000 -0.082 0.000 0.872 258 D CB 0.355 41.123 40.800 -0.054 0.000 1.173 258 D HN 0.495 nan 8.370 nan 0.000 0.467 259 N N 1.769 120.393 118.700 -0.127 0.000 2.642 259 N HA -0.179 4.558 4.740 -0.005 0.000 0.269 259 N C 0.331 175.641 175.510 -0.335 0.000 1.073 259 N CA 1.072 54.030 53.050 -0.152 0.000 0.748 259 N CB -1.230 37.206 38.487 -0.086 0.000 0.894 259 N HN 0.629 nan 8.380 nan 0.000 0.548 260 T N -4.857 109.456 114.554 -0.402 0.000 3.407 260 T HA 0.149 4.496 4.350 -0.005 0.000 0.308 260 T C 0.966 175.479 174.700 -0.311 0.000 0.919 260 T CA -0.376 61.259 62.100 -0.775 0.000 0.960 260 T CB 0.331 68.616 68.868 -0.972 0.000 1.193 260 T HN 0.154 nan 8.240 nan 0.000 0.568 261 E N 2.330 122.437 120.200 -0.154 0.000 2.219 261 E HA -0.188 4.159 4.350 -0.005 0.000 0.198 261 E C 1.506 178.103 176.600 -0.005 0.000 0.998 261 E CA 1.612 57.977 56.400 -0.059 0.000 0.818 261 E CB -0.051 29.626 29.700 -0.038 0.000 0.741 261 E HN 0.780 nan 8.360 nan 0.000 0.477 262 D N -0.576 119.843 120.400 0.032 0.000 2.340 262 D HA -0.027 4.610 4.640 -0.005 0.000 0.220 262 D C 1.649 178.040 176.300 0.151 0.000 1.039 262 D CA 0.599 54.649 54.000 0.084 0.000 0.866 262 D CB -0.103 40.756 40.800 0.098 0.000 0.913 262 D HN 0.107 nan 8.370 nan 0.000 0.523 263 G N 0.917 109.840 108.800 0.204 0.000 2.433 263 G HA2 -0.028 3.929 3.960 -0.005 0.000 0.216 263 G HA3 -0.028 3.929 3.960 -0.005 0.000 0.216 263 G C 0.937 175.922 174.900 0.142 0.000 1.186 263 G CA 0.369 45.646 45.100 0.295 0.000 0.779 263 G HN 0.371 nan 8.290 nan 0.000 0.543 264 I N 0.556 121.177 120.570 0.086 0.000 2.468 264 I HA 0.361 4.528 4.170 -0.005 0.000 0.284 264 I C -1.183 174.936 176.117 0.002 0.000 1.038 264 I CA -0.615 60.715 61.300 0.050 0.000 1.083 264 I CB 2.678 40.710 38.000 0.052 0.000 1.223 264 I HN -0.228 nan 8.210 nan 0.000 0.443 265 V N 7.222 127.131 119.914 -0.008 0.000 2.555 265 V HA 0.537 4.654 4.120 -0.005 0.000 0.302 265 V C -0.156 175.876 176.094 -0.102 0.000 1.038 265 V CA -0.504 61.769 62.300 -0.045 0.000 0.887 265 V CB 2.292 34.109 31.823 -0.010 0.000 0.991 265 V HN 0.469 nan 8.190 nan 0.000 0.434 266 L N 3.999 125.090 121.223 -0.221 0.000 2.365 266 L HA 0.969 5.306 4.340 -0.005 0.000 0.273 266 L C 0.356 177.107 176.870 -0.198 0.000 1.000 266 L CA -0.303 54.283 54.840 -0.424 0.000 0.819 266 L CB 2.121 43.469 42.059 -1.186 0.000 1.284 266 L HN 0.790 nan 8.230 nan 0.000 0.418 267 G N 1.269 110.119 108.800 0.083 0.000 2.682 267 G HA2 0.632 4.589 3.960 -0.005 0.000 0.290 267 G HA3 0.632 4.589 3.960 -0.005 0.000 0.290 267 G C -1.882 173.258 174.900 0.399 0.000 1.425 267 G CA -0.454 44.826 45.100 0.299 0.000 0.807 267 G HN 0.227 nan 8.290 nan 0.000 0.482 268 V N 1.864 121.951 119.914 0.289 0.000 2.378 268 V HA 0.425 4.542 4.120 -0.005 0.000 0.288 268 V C -0.738 175.419 176.094 0.105 0.000 1.016 268 V CA -1.104 61.313 62.300 0.196 0.000 0.840 268 V CB 1.153 33.075 31.823 0.163 0.000 0.994 268 V HN 0.617 nan 8.190 nan 0.000 0.431 269 N N 2.519 121.247 118.700 0.046 0.000 2.477 269 N HA 0.284 5.021 4.740 -0.005 0.000 0.284 269 N C 1.299 176.771 175.510 -0.063 0.000 1.182 269 N CA -0.599 52.443 53.050 -0.014 0.000 0.949 269 N CB 0.922 39.345 38.487 -0.106 0.000 1.204 269 N HN 0.833 nan 8.380 nan 0.000 0.526 270 H N 0.308 119.392 119.070 0.023 0.000 2.492 270 H HA -0.097 4.456 4.556 -0.005 0.000 0.296 270 H C -0.149 175.178 175.328 -0.002 0.000 1.095 270 H CA 1.272 57.327 56.048 0.012 0.000 1.281 270 H CB -0.059 29.707 29.762 0.007 0.000 1.374 270 H HN 0.503 nan 8.280 nan 0.000 0.545 271 N N 0.379 118.742 118.700 -0.561 0.000 2.291 271 N HA 0.298 5.035 4.740 -0.005 0.000 0.244 271 N C 0.299 175.688 175.510 -0.202 0.000 1.216 271 N CA 0.270 53.116 53.050 -0.339 0.000 0.879 271 N CB 1.051 39.288 38.487 -0.418 0.000 1.167 271 N HN 0.594 nan 8.380 nan 0.000 0.515 272 G N 0.018 108.735 108.800 -0.139 0.000 2.326 272 G HA2 0.125 4.082 3.960 -0.005 0.000 0.413 272 G HA3 0.125 4.082 3.960 -0.005 0.000 0.413 272 G C -1.513 173.363 174.900 -0.040 0.000 1.444 272 G CA -1.093 43.962 45.100 -0.076 0.000 1.002 272 G HN 0.143 nan 8.290 nan 0.000 0.649 273 I N 1.065 121.620 120.570 -0.024 0.000 2.575 273 I HA 0.463 4.630 4.170 -0.005 0.000 0.285 273 I C 0.786 176.938 176.117 0.058 0.000 1.085 273 I CA 0.076 61.406 61.300 0.050 0.000 1.403 273 I CB 1.374 39.374 38.000 -0.000 0.000 1.409 273 I HN 0.537 nan 8.210 nan 0.000 0.557 274 T N 4.068 118.680 114.554 0.097 0.000 2.907 274 T HA 0.434 4.781 4.350 -0.005 0.000 0.290 274 T C -1.234 173.500 174.700 0.058 0.000 1.066 274 T CA -0.516 61.621 62.100 0.061 0.000 1.012 274 T CB 2.021 70.909 68.868 0.035 0.000 1.184 274 T HN 0.679 nan 8.240 nan 0.000 0.522 275 C N 1.288 120.619 119.300 0.051 0.000 2.609 275 C HA 0.667 5.124 4.460 -0.005 0.000 0.313 275 C C -1.254 173.751 174.990 0.025 0.000 1.175 275 C CA -0.392 58.660 59.018 0.057 0.000 1.434 275 C CB 0.489 28.358 27.740 0.215 0.000 2.005 275 C HN 0.982 nan 8.230 nan 0.000 0.471 276 E N 4.868 125.078 120.200 0.017 0.000 2.207 276 E HA 0.426 4.773 4.350 -0.005 0.000 0.250 276 E C -0.970 175.645 176.600 0.025 0.000 0.890 276 E CA -0.135 56.272 56.400 0.010 0.000 0.749 276 E CB 1.223 30.927 29.700 0.007 0.000 1.193 276 E HN 0.632 nan 8.360 nan 0.000 0.423 277 L N 1.854 123.094 121.223 0.028 0.000 2.326 277 L HA 0.313 4.650 4.340 -0.005 0.000 0.278 277 L C 0.560 177.439 176.870 0.015 0.000 1.092 277 L CA -0.383 54.480 54.840 0.038 0.000 0.810 277 L CB 1.381 43.470 42.059 0.050 0.000 1.153 277 L HN 0.370 nan 8.230 nan 0.000 0.439 278 S N 1.178 116.889 115.700 0.019 0.000 2.585 278 S HA 0.112 4.579 4.470 -0.005 0.000 0.277 278 S C 1.124 175.680 174.600 -0.074 0.000 1.241 278 S CA -0.801 57.393 58.200 -0.010 0.000 1.041 278 S CB 1.005 64.228 63.200 0.037 0.000 0.987 278 S HN 0.704 nan 8.310 nan 0.000 0.512 279 E N 4.030 124.179 120.200 -0.085 0.000 2.204 279 E HA -0.201 4.146 4.350 -0.005 0.000 0.195 279 E C 0.887 177.369 176.600 -0.197 0.000 0.990 279 E CA 1.276 57.612 56.400 -0.107 0.000 0.821 279 E CB -0.770 28.883 29.700 -0.079 0.000 0.750 279 E HN 0.811 nan 8.360 nan 0.000 0.477 280 N N 0.941 119.454 118.700 -0.311 0.000 2.494 280 N HA 0.035 4.772 4.740 -0.005 0.000 0.182 280 N C 1.961 176.894 175.510 -0.962 0.000 1.076 280 N CA -0.036 52.629 53.050 -0.642 0.000 0.908 280 N CB 0.062 38.038 38.487 -0.852 0.000 0.967 280 N HN 0.090 nan 8.380 nan 0.000 0.449 281 L N 2.424 123.333 121.223 -0.524 0.000 1.971 281 L HA -0.122 4.215 4.340 -0.005 0.000 0.215 281 L C -0.589 176.154 176.870 -0.211 0.000 1.072 281 L CA 1.976 56.659 54.840 -0.262 0.000 0.758 281 L CB -1.290 40.728 42.059 -0.069 0.000 0.889 281 L HN 0.111 nan 8.230 nan 0.000 0.433 282 P HA -0.154 nan 4.420 nan 0.000 0.217 282 P C 1.446 178.712 177.300 -0.057 0.000 1.148 282 P CA 2.066 65.102 63.100 -0.105 0.000 0.828 282 P CB -0.299 31.356 31.700 -0.074 0.000 0.783 283 G N -1.165 107.565 108.800 -0.116 0.000 2.403 283 G HA2 -0.233 3.724 3.960 -0.005 0.000 0.216 283 G HA3 -0.233 3.724 3.960 -0.005 0.000 0.216 283 G C 1.350 176.315 174.900 0.109 0.000 1.154 283 G CA 0.269 45.363 45.100 -0.009 0.000 0.784 283 G HN 0.125 nan 8.290 nan 0.000 0.538 284 Y N 0.808 121.103 120.300 -0.009 0.000 2.256 284 Y HA 0.020 4.568 4.550 -0.004 0.000 0.288 284 Y C 2.663 178.512 175.900 -0.085 0.000 1.155 284 Y CA -0.073 58.004 58.100 -0.039 0.000 1.203 284 Y CB -0.504 37.918 38.460 -0.064 0.000 0.980 284 Y HN 0.170 nan 8.280 nan 0.000 0.530 285 I N -1.673 118.897 120.570 0.001 0.000 2.286 285 I HA -0.280 3.887 4.170 -0.005 0.000 0.245 285 I C 2.288 178.402 176.117 -0.006 0.000 1.104 285 I CA 1.052 62.249 61.300 -0.172 0.000 1.397 285 I CB -0.456 37.319 38.000 -0.375 0.000 1.072 285 I HN 0.094 nan 8.210 nan 0.000 0.417 286 F N 2.212 122.132 119.950 -0.050 0.000 2.102 286 F HA -0.268 4.256 4.527 -0.005 0.000 0.298 286 F C 2.711 178.507 175.800 -0.007 0.000 1.105 286 F CA 1.915 59.903 58.000 -0.019 0.000 1.239 286 F CB -0.376 38.612 39.000 -0.020 0.000 0.991 286 F HN 0.082 nan 8.300 nan 0.000 0.474 287 S N -0.862 114.768 115.700 -0.116 0.000 2.501 287 S HA 0.179 4.646 4.470 -0.005 0.000 0.220 287 S C 2.083 176.598 174.600 -0.142 0.000 0.997 287 S CA 0.410 58.487 58.200 -0.204 0.000 0.919 287 S CB -0.566 62.645 63.200 0.019 0.000 0.778 287 S HN 0.414 nan 8.310 nan 0.000 0.523 288 G N 1.186 109.941 108.800 -0.076 0.000 2.545 288 G HA2 0.108 4.065 3.960 -0.005 0.000 0.212 288 G HA3 0.108 4.065 3.960 -0.005 0.000 0.212 288 G C 1.281 176.146 174.900 -0.059 0.000 1.144 288 G CA 0.537 45.611 45.100 -0.043 0.000 0.813 288 G HN 0.389 nan 8.290 nan 0.000 0.531 289 V N 1.903 121.769 119.914 -0.079 0.000 2.237 289 V HA -0.160 3.957 4.120 -0.005 0.000 0.245 289 V C 3.339 179.319 176.094 -0.191 0.000 1.046 289 V CA 2.213 64.416 62.300 -0.161 0.000 1.007 289 V CB -0.956 30.767 31.823 -0.166 0.000 0.638 289 V HN 0.433 nan 8.190 nan 0.000 0.445 290 A N 1.178 123.887 122.820 -0.186 0.000 1.859 290 A HA -0.173 4.144 4.320 -0.005 0.000 0.217 290 A C 0.844 178.350 177.584 -0.130 0.000 1.198 290 A CA 2.417 54.358 52.037 -0.160 0.000 0.629 290 A CB -2.150 16.730 19.000 -0.200 0.000 0.830 290 A HN 0.587 nan 8.150 nan 0.000 0.446 291 P HA -0.110 nan 4.420 nan 0.000 0.216 291 P C 1.627 178.857 177.300 -0.117 0.000 1.150 291 P CA 1.744 64.776 63.100 -0.114 0.000 0.837 291 P CB -0.292 31.346 31.700 -0.104 0.000 0.786 292 V N 0.460 120.297 119.914 -0.128 0.000 2.244 292 V HA -0.189 3.928 4.120 -0.005 0.000 0.244 292 V C 2.892 178.811 176.094 -0.293 0.000 1.042 292 V CA 1.828 64.027 62.300 -0.170 0.000 1.006 292 V CB -1.369 30.385 31.823 -0.114 0.000 0.641 292 V HN -0.075 nan 8.190 nan 0.000 0.446 293 V N 0.125 119.884 119.914 -0.259 0.000 2.287 293 V HA -0.300 3.817 4.120 -0.005 0.000 0.248 293 V C 2.617 178.651 176.094 -0.101 0.000 1.053 293 V CA 2.699 64.871 62.300 -0.213 0.000 1.027 293 V CB -1.199 30.649 31.823 0.043 0.000 0.646 293 V HN 0.632 nan 8.190 nan 0.000 0.447 294 T N -0.491 114.033 114.554 -0.049 0.000 2.720 294 T HA -0.227 4.120 4.350 -0.005 0.000 0.268 294 T C 1.813 176.527 174.700 0.023 0.000 1.037 294 T CA 1.806 63.908 62.100 0.004 0.000 1.144 294 T CB -0.252 68.601 68.868 -0.024 0.000 0.864 294 T HN 0.606 nan 8.240 nan 0.000 0.444 295 E N 0.586 120.764 120.200 -0.037 0.000 2.047 295 E HA -0.092 4.255 4.350 -0.005 0.000 0.191 295 E C 2.283 178.928 176.600 0.076 0.000 0.987 295 E CA 0.842 57.251 56.400 0.015 0.000 0.799 295 E CB -0.230 29.441 29.700 -0.048 0.000 0.752 295 E HN 0.303 nan 8.360 nan 0.000 0.449 296 M N 1.070 120.617 119.600 -0.087 0.000 2.108 296 M HA -0.169 4.308 4.480 -0.005 0.000 0.261 296 M C 2.037 178.322 176.300 -0.024 0.000 1.066 296 M CA 1.513 56.741 55.300 -0.121 0.000 1.107 296 M CB -0.384 31.943 32.600 -0.455 0.000 1.356 296 M HN 0.128 nan 8.290 nan 0.000 0.406 297 L N -1.519 119.703 121.223 -0.001 0.000 2.027 297 L HA -0.219 4.118 4.340 -0.005 0.000 0.206 297 L C 2.376 179.290 176.870 0.074 0.000 1.074 297 L CA 1.485 56.346 54.840 0.034 0.000 0.745 297 L CB -0.952 41.145 42.059 0.064 0.000 0.898 297 L HN 0.474 nan 8.230 nan 0.000 0.433 298 W N 1.756 123.032 121.300 -0.041 0.000 2.342 298 W HA -0.243 4.413 4.660 -0.006 0.000 0.297 298 W C 2.047 178.549 176.519 -0.028 0.000 1.213 298 W CA 1.675 59.002 57.345 -0.029 0.000 1.251 298 W CB -0.113 29.328 29.460 -0.031 0.000 1.136 298 W HN 0.169 nan 8.180 nan 0.000 0.526 299 D N -0.390 120.041 120.400 0.052 0.000 2.309 299 D HA -0.147 4.490 4.640 -0.005 0.000 0.212 299 D C 0.729 176.909 176.300 -0.201 0.000 0.968 299 D CA 1.218 55.141 54.000 -0.127 0.000 0.882 299 D CB -0.454 40.374 40.800 0.047 0.000 0.918 299 D HN 0.318 nan 8.370 nan 0.000 0.503 300 N N -0.800 117.814 118.700 -0.143 0.000 2.275 300 N HA 0.267 5.004 4.740 -0.005 0.000 0.236 300 N C 0.646 176.067 175.510 -0.149 0.000 1.154 300 N CA 0.210 53.186 53.050 -0.123 0.000 0.866 300 N CB 1.135 39.585 38.487 -0.062 0.000 1.093 300 N HN 0.005 nan 8.380 nan 0.000 0.515 301 G N 0.584 109.238 108.800 -0.243 0.000 2.283 301 G HA2 -0.282 3.676 3.960 -0.005 0.000 0.280 301 G HA3 -0.282 3.676 3.960 -0.005 0.000 0.280 301 G C -0.314 174.526 174.900 -0.100 0.000 1.029 301 G CA 0.566 45.538 45.100 -0.213 0.000 0.840 301 G HN 0.287 nan 8.290 nan 0.000 0.505 302 L N -1.629 119.562 121.223 -0.054 0.000 2.333 302 L HA 0.694 5.031 4.340 -0.005 0.000 0.263 302 L C 0.301 177.205 176.870 0.057 0.000 1.014 302 L CA -1.109 53.728 54.840 -0.005 0.000 0.820 302 L CB 1.936 43.980 42.059 -0.026 0.000 1.352 302 L HN 0.180 nan 8.230 nan 0.000 0.421 303 Q N 0.163 120.006 119.800 0.072 0.000 2.378 303 Q HA 0.471 4.809 4.340 -0.005 0.000 0.276 303 Q C 0.741 176.831 176.000 0.149 0.000 1.083 303 Q CA -0.838 55.032 55.803 0.112 0.000 0.856 303 Q CB 2.746 31.544 28.738 0.100 0.000 1.383 303 Q HN 0.539 nan 8.270 nan 0.000 0.458 304 I N 0.472 121.161 120.570 0.198 0.000 2.264 304 I HA -0.292 3.875 4.170 -0.005 0.000 0.248 304 I C 2.058 178.375 176.117 0.334 0.000 1.111 304 I CA 1.628 63.133 61.300 0.343 0.000 1.382 304 I CB -0.163 37.977 38.000 0.234 0.000 1.060 304 I HN 0.636 nan 8.210 nan 0.000 0.418 305 S N -0.770 115.045 115.700 0.193 0.000 2.603 305 S HA -0.088 4.379 4.470 -0.005 0.000 0.229 305 S C 1.279 175.956 174.600 0.129 0.000 0.972 305 S CA 0.608 58.902 58.200 0.157 0.000 0.935 305 S CB -0.250 63.011 63.200 0.101 0.000 0.769 305 S HN 0.388 nan 8.310 nan 0.000 0.536 306 D N 0.966 121.432 120.400 0.110 0.000 2.346 306 D HA 0.192 4.829 4.640 -0.005 0.000 0.206 306 D C 0.259 176.558 176.300 -0.002 0.000 1.001 306 D CA 0.123 54.149 54.000 0.044 0.000 0.871 306 D CB 0.113 40.923 40.800 0.015 0.000 0.943 306 D HN 0.362 nan 8.370 nan 0.000 0.518 307 I N 2.251 122.827 120.570 0.010 0.000 2.496 307 I HA -0.016 4.151 4.170 -0.005 0.000 0.285 307 I C 1.281 177.322 176.117 -0.127 0.000 1.080 307 I CA 0.076 61.256 61.300 -0.201 0.000 1.404 307 I CB 0.747 38.399 38.000 -0.581 0.000 1.403 307 I HN -0.161 nan 8.210 nan 0.000 0.539 308 D N 5.435 125.711 120.400 -0.206 0.000 2.216 308 D HA 0.114 4.751 4.640 -0.005 0.000 0.208 308 D C 0.479 176.723 176.300 -0.095 0.000 0.960 308 D CA 1.076 55.020 54.000 -0.094 0.000 0.861 308 D CB 0.614 41.361 40.800 -0.087 0.000 0.985 308 D HN 0.330 nan 8.370 nan 0.000 0.493 309 L N -0.292 120.761 121.223 -0.283 0.000 2.365 309 L HA 0.421 4.758 4.340 -0.005 0.000 0.273 309 L C -1.272 175.369 176.870 -0.381 0.000 1.000 309 L CA -0.848 53.886 54.840 -0.177 0.000 0.819 309 L CB 2.207 44.226 42.059 -0.067 0.000 1.284 309 L HN -0.137 nan 8.230 nan 0.000 0.418 310 W N 2.195 123.520 121.300 0.042 0.000 2.485 310 W HA 0.565 5.222 4.660 -0.005 0.000 0.297 310 W C -0.071 176.432 176.519 -0.027 0.000 0.999 310 W CA -0.469 56.884 57.345 0.014 0.000 1.512 310 W CB 1.678 31.155 29.460 0.028 0.000 1.322 310 W HN 0.491 nan 8.180 nan 0.000 0.419 311 A N 4.674 127.580 122.820 0.143 0.000 2.915 311 A HA 0.411 4.728 4.320 -0.005 0.000 0.292 311 A C -0.028 177.463 177.584 -0.156 0.000 1.632 311 A CA -0.140 51.927 52.037 0.050 0.000 1.337 311 A CB -0.602 18.457 19.000 0.098 0.000 1.111 311 A HN 0.591 nan 8.150 nan 0.000 0.569 312 I N 1.885 122.331 120.570 -0.206 0.000 2.441 312 I HA 0.066 4.233 4.170 -0.005 0.000 0.287 312 I C 0.771 176.764 176.117 -0.206 0.000 1.049 312 I CA -0.647 60.413 61.300 -0.399 0.000 1.381 312 I CB 0.697 38.551 38.000 -0.244 0.000 1.409 312 I HN 0.689 nan 8.210 nan 0.000 0.523 313 H N 9.215 128.149 119.070 -0.226 0.000 3.145 313 H HA 0.066 4.620 4.556 -0.004 0.000 0.288 313 H C -1.999 173.281 175.328 -0.081 0.000 0.969 313 H CA -1.486 54.493 56.048 -0.115 0.000 1.444 313 H CB 0.545 30.262 29.762 -0.075 0.000 1.500 313 H HN 0.256 nan 8.280 nan 0.000 0.552 314 P HA 0.105 nan 4.420 nan 0.000 0.220 314 P C 0.692 177.598 177.300 -0.657 0.000 1.806 314 P CA 0.111 62.881 63.100 -0.550 0.000 0.976 314 P CB 0.003 31.503 31.700 -0.334 0.000 1.952 315 G N 0.269 108.635 108.800 -0.724 0.000 2.744 315 G HA2 0.327 4.284 3.960 -0.005 0.000 0.211 315 G HA3 0.327 4.284 3.960 -0.005 0.000 0.211 315 G C 0.646 175.506 174.900 -0.067 0.000 1.143 315 G CA 0.319 45.249 45.100 -0.283 0.000 0.788 315 G HN 0.650 nan 8.290 nan 0.000 0.534 316 G N -1.240 107.487 108.800 -0.122 0.000 2.340 316 G HA2 0.371 4.328 3.960 -0.005 0.000 0.300 316 G HA3 0.371 4.328 3.960 -0.005 0.000 0.300 316 G C -2.125 172.712 174.900 -0.105 0.000 1.488 316 G CA -0.049 45.021 45.100 -0.050 0.000 0.878 316 G HN -0.153 nan 8.290 nan 0.000 0.618 317 P HA -0.174 nan 4.420 nan 0.000 0.216 317 P C 1.331 178.671 177.300 0.067 0.000 1.153 317 P CA 1.519 64.687 63.100 0.113 0.000 0.858 317 P CB 0.210 32.083 31.700 0.288 0.000 0.789 318 K N -1.197 119.233 120.400 0.049 0.000 2.155 318 K HA -0.030 4.287 4.320 -0.005 0.000 0.203 318 K C 2.214 178.820 176.600 0.011 0.000 1.052 318 K CA 0.773 57.084 56.287 0.040 0.000 0.948 318 K CB -0.472 32.039 32.500 0.019 0.000 0.728 318 K HN 0.063 nan 8.250 nan 0.000 0.448 319 I N 1.427 121.991 120.570 -0.010 0.000 2.226 319 I HA -0.254 3.913 4.170 -0.005 0.000 0.245 319 I C 2.050 178.190 176.117 0.038 0.000 1.100 319 I CA 1.421 62.737 61.300 0.027 0.000 1.374 319 I CB -0.185 37.871 38.000 0.094 0.000 1.057 319 I HN 0.104 nan 8.210 nan 0.000 0.413 320 I N -0.323 120.166 120.570 -0.134 0.000 2.193 320 I HA -0.240 3.927 4.170 -0.005 0.000 0.240 320 I C 2.518 178.612 176.117 -0.039 0.000 1.084 320 I CA 1.171 62.327 61.300 -0.241 0.000 1.365 320 I CB -0.554 36.924 38.000 -0.870 0.000 1.064 320 I HN 0.300 nan 8.210 nan 0.000 0.410 321 E N 1.031 121.256 120.200 0.041 0.000 2.048 321 E HA -0.317 4.030 4.350 -0.005 0.000 0.202 321 E C 2.145 178.836 176.600 0.152 0.000 1.021 321 E CA 1.742 58.258 56.400 0.192 0.000 0.825 321 E CB 0.016 29.834 29.700 0.195 0.000 0.756 321 E HN 0.405 nan 8.360 nan 0.000 0.454 322 Q N 0.019 119.895 119.800 0.127 0.000 2.230 322 Q HA -0.014 4.323 4.340 -0.005 0.000 0.202 322 Q C 2.302 178.430 176.000 0.213 0.000 0.963 322 Q CA 0.947 56.856 55.803 0.177 0.000 0.866 322 Q CB 0.044 28.861 28.738 0.132 0.000 0.931 322 Q HN 0.203 nan 8.270 nan 0.000 0.452 323 S N 0.229 116.057 115.700 0.213 0.000 2.368 323 S HA -0.072 4.395 4.470 -0.005 0.000 0.224 323 S C 2.150 176.870 174.600 0.200 0.000 1.029 323 S CA 0.935 59.324 58.200 0.314 0.000 0.988 323 S CB -0.091 63.416 63.200 0.512 0.000 0.838 323 S HN 0.137 nan 8.310 nan 0.000 0.462 324 V N 1.835 121.832 119.914 0.138 0.000 2.343 324 V HA -0.146 3.971 4.120 -0.005 0.000 0.247 324 V C 2.450 178.580 176.094 0.060 0.000 1.051 324 V CA 1.635 63.969 62.300 0.056 0.000 1.036 324 V CB -0.568 31.317 31.823 0.103 0.000 0.654 324 V HN 0.342 nan 8.190 nan 0.000 0.451 325 R N -0.356 120.230 120.500 0.144 0.000 2.096 325 R HA -0.149 4.188 4.340 -0.005 0.000 0.235 325 R C 2.699 179.129 176.300 0.217 0.000 1.127 325 R CA 1.584 57.810 56.100 0.210 0.000 0.968 325 R CB -0.478 29.991 30.300 0.282 0.000 0.861 325 R HN 0.460 nan 8.270 nan 0.000 0.440 326 S N 0.653 116.426 115.700 0.123 0.000 2.356 326 S HA -0.057 4.410 4.470 -0.005 0.000 0.223 326 S C 1.792 176.305 174.600 -0.145 0.000 1.032 326 S CA 1.061 59.159 58.200 -0.170 0.000 1.005 326 S CB -0.039 63.045 63.200 -0.193 0.000 0.867 326 S HN 0.212 nan 8.310 nan 0.000 0.449 327 L N 0.577 121.731 121.223 -0.114 0.000 2.395 327 L HA 0.200 4.537 4.340 -0.005 0.000 0.218 327 L C 1.710 178.500 176.870 -0.134 0.000 1.130 327 L CA 0.491 55.224 54.840 -0.179 0.000 0.826 327 L CB -0.691 41.132 42.059 -0.394 0.000 0.941 327 L HN 0.533 nan 8.230 nan 0.000 0.451 328 G N 1.596 110.353 108.800 -0.071 0.000 2.221 328 G HA2 -0.288 3.669 3.960 -0.005 0.000 0.265 328 G HA3 -0.288 3.669 3.960 -0.005 0.000 0.265 328 G C 0.297 175.168 174.900 -0.050 0.000 1.041 328 G CA 0.645 45.729 45.100 -0.026 0.000 0.807 328 G HN 0.502 nan 8.290 nan 0.000 0.502 329 I N -2.462 118.041 120.570 -0.112 0.000 2.918 329 I HA 0.799 4.966 4.170 -0.005 0.000 0.316 329 I C 0.895 176.988 176.117 -0.040 0.000 1.001 329 I CA -0.679 60.553 61.300 -0.113 0.000 1.142 329 I CB 1.418 39.233 38.000 -0.309 0.000 1.356 329 I HN 0.125 nan 8.210 nan 0.000 0.524 330 S N 1.655 117.355 115.700 0.001 0.000 2.558 330 S HA 0.248 4.715 4.470 -0.005 0.000 0.288 330 S C 1.201 175.833 174.600 0.053 0.000 1.318 330 S CA 0.147 58.368 58.200 0.035 0.000 1.056 330 S CB 0.949 64.182 63.200 0.055 0.000 0.853 330 S HN 0.826 nan 8.310 nan 0.000 0.505 331 A N 4.184 127.045 122.820 0.068 0.000 1.972 331 A HA -0.065 4.252 4.320 -0.005 0.000 0.219 331 A C 1.817 179.487 177.584 0.143 0.000 1.169 331 A CA 1.817 53.921 52.037 0.112 0.000 0.635 331 A CB -0.758 18.290 19.000 0.080 0.000 0.810 331 A HN 0.944 nan 8.150 nan 0.000 0.446 332 E N 0.085 120.346 120.200 0.102 0.000 2.265 332 E HA -0.082 4.265 4.350 -0.005 0.000 0.196 332 E C 1.580 178.273 176.600 0.156 0.000 0.996 332 E CA 0.690 57.156 56.400 0.111 0.000 0.832 332 E CB -0.310 29.436 29.700 0.077 0.000 0.756 332 E HN 0.632 nan 8.360 nan 0.000 0.491 333 L N 0.030 121.348 121.223 0.159 0.000 2.450 333 L HA -0.088 4.249 4.340 -0.005 0.000 0.224 333 L C 1.816 178.828 176.870 0.237 0.000 1.149 333 L CA 0.555 55.521 54.840 0.211 0.000 0.816 333 L CB -0.183 42.014 42.059 0.229 0.000 0.932 333 L HN 0.146 nan 8.230 nan 0.000 0.449 334 A N -0.842 122.121 122.820 0.239 0.000 2.423 334 A HA 0.405 4.722 4.320 -0.005 0.000 0.246 334 A C 2.229 180.025 177.584 0.354 0.000 1.278 334 A CA 0.625 52.810 52.037 0.247 0.000 0.903 334 A CB -0.133 19.012 19.000 0.242 0.000 0.997 334 A HN 0.280 nan 8.150 nan 0.000 0.510 335 A N 0.371 123.375 122.820 0.306 0.000 1.884 335 A HA -0.294 4.023 4.320 -0.005 0.000 0.219 335 A C 2.021 179.755 177.584 0.249 0.000 1.197 335 A CA 2.177 54.381 52.037 0.279 0.000 0.637 335 A CB -0.564 18.538 19.000 0.171 0.000 0.827 335 A HN 0.525 nan 8.150 nan 0.000 0.450 336 Q N 0.008 119.918 119.800 0.185 0.000 2.181 336 Q HA -0.087 4.250 4.340 -0.005 0.000 0.205 336 Q C 2.365 178.444 176.000 0.132 0.000 0.980 336 Q CA 1.799 57.692 55.803 0.151 0.000 0.862 336 Q CB -0.346 28.469 28.738 0.128 0.000 0.905 336 Q HN 0.653 nan 8.270 nan 0.000 0.429 337 S N -0.469 115.284 115.700 0.088 0.000 2.368 337 S HA -0.127 4.340 4.470 -0.005 0.000 0.224 337 S C 1.306 175.877 174.600 -0.048 0.000 1.029 337 S CA 0.978 59.154 58.200 -0.040 0.000 0.988 337 S CB -0.353 62.743 63.200 -0.173 0.000 0.838 337 S HN 0.484 nan 8.310 nan 0.000 0.462 338 W N 1.861 123.182 121.300 0.035 0.000 2.388 338 W HA -0.044 4.613 4.660 -0.004 0.000 0.294 338 W C 2.187 178.722 176.519 0.027 0.000 1.212 338 W CA 0.735 58.095 57.345 0.025 0.000 1.271 338 W CB -0.510 28.965 29.460 0.025 0.000 1.126 338 W HN 0.318 nan 8.180 nan 0.000 0.535 339 D N -0.026 120.535 120.400 0.268 0.000 2.104 339 D HA -0.198 4.439 4.640 -0.005 0.000 0.194 339 D C 2.033 178.425 176.300 0.154 0.000 0.994 339 D CA 1.905 56.011 54.000 0.177 0.000 0.830 339 D CB -0.253 40.642 40.800 0.158 0.000 0.959 339 D HN -0.093 nan 8.370 nan 0.000 0.452 340 V N 0.894 120.918 119.914 0.185 0.000 2.287 340 V HA -0.226 3.891 4.120 -0.005 0.000 0.248 340 V C 2.603 178.802 176.094 0.175 0.000 1.053 340 V CA 1.507 63.963 62.300 0.260 0.000 1.027 340 V CB -0.647 31.288 31.823 0.187 0.000 0.646 340 V HN 0.404 nan 8.190 nan 0.000 0.447 341 L N 0.048 121.314 121.223 0.073 0.000 2.042 341 L HA -0.224 4.113 4.340 -0.005 0.000 0.210 341 L C 2.569 179.471 176.870 0.054 0.000 1.076 341 L CA 2.285 57.144 54.840 0.031 0.000 0.749 341 L CB -0.683 41.376 42.059 -0.002 0.000 0.893 341 L HN 0.400 nan 8.230 nan 0.000 0.432 342 A N 0.158 123.024 122.820 0.076 0.000 1.902 342 A HA -0.230 4.087 4.320 -0.005 0.000 0.217 342 A C 2.197 179.734 177.584 -0.078 0.000 1.181 342 A CA 1.724 53.781 52.037 0.033 0.000 0.623 342 A CB -0.430 18.604 19.000 0.057 0.000 0.818 342 A HN 0.506 nan 8.150 nan 0.000 0.443 343 R N -2.578 117.804 120.500 -0.197 0.000 2.210 343 R HA 0.175 4.512 4.340 -0.005 0.000 0.203 343 R C 0.371 176.153 176.300 -0.863 0.000 1.010 343 R CA 1.015 56.768 56.100 -0.577 0.000 1.008 343 R CB 0.015 29.802 30.300 -0.855 0.000 0.923 343 R HN 0.579 nan 8.270 nan 0.000 0.469 344 F N -1.229 118.706 119.950 -0.025 0.000 2.925 344 F HA 0.364 4.888 4.527 -0.004 0.000 0.355 344 F C 1.145 176.889 175.800 -0.094 0.000 1.073 344 F CA 0.125 58.074 58.000 -0.085 0.000 1.127 344 F CB 0.664 39.531 39.000 -0.222 0.000 1.123 344 F HN 0.097 nan 8.300 nan 0.000 0.551 345 G N 1.659 110.501 108.800 0.071 0.000 2.645 345 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.239 345 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.239 345 G C -0.518 174.374 174.900 -0.012 0.000 1.331 345 G CA -0.314 44.808 45.100 0.037 0.000 0.890 345 G HN 0.348 nan 8.290 nan 0.000 0.572 346 N N 0.554 119.242 118.700 -0.021 0.000 2.437 346 N HA 0.474 5.211 4.740 -0.005 0.000 0.243 346 N C 0.934 176.319 175.510 -0.209 0.000 1.041 346 N CA -0.244 52.727 53.050 -0.132 0.000 0.940 346 N CB 0.210 38.615 38.487 -0.137 0.000 1.133 346 N HN 0.468 nan 8.380 nan 0.000 0.506 347 M N 4.263 123.739 119.600 -0.207 0.000 2.723 347 M HA 0.093 4.570 4.480 -0.005 0.000 0.270 347 M C 0.046 176.229 176.300 -0.195 0.000 1.282 347 M CA -0.458 54.709 55.300 -0.222 0.000 0.995 347 M CB -0.004 32.409 32.600 -0.312 0.000 1.430 347 M HN 0.348 nan 8.290 nan 0.000 0.477 348 L N -0.932 120.164 121.223 -0.212 0.000 6.412 348 L HA -0.430 3.907 4.340 -0.005 0.000 0.053 348 L C 1.956 178.762 176.870 -0.108 0.000 2.199 348 L CA 2.344 57.076 54.840 -0.180 0.000 1.611 348 L CB -2.096 39.837 42.059 -0.209 0.000 2.801 348 L HN 0.580 nan 8.230 nan 0.000 1.044 349 S N -1.508 114.123 115.700 -0.114 0.000 2.419 349 S HA -0.107 4.360 4.470 -0.005 0.000 0.235 349 S C 1.702 176.271 174.600 -0.052 0.000 1.019 349 S CA 1.445 59.589 58.200 -0.094 0.000 0.982 349 S CB -0.634 62.529 63.200 -0.060 0.000 0.789 349 S HN 0.395 nan 8.310 nan 0.000 0.490 350 V N 2.067 121.950 119.914 -0.052 0.000 2.358 350 V HA -0.155 3.962 4.120 -0.005 0.000 0.246 350 V C 2.805 178.881 176.094 -0.030 0.000 1.047 350 V CA 1.911 64.194 62.300 -0.029 0.000 1.035 350 V CB -1.301 30.471 31.823 -0.083 0.000 0.658 350 V HN 0.543 nan 8.190 nan 0.000 0.452 351 S N 0.283 115.920 115.700 -0.104 0.000 2.381 351 S HA -0.290 4.177 4.470 -0.005 0.000 0.230 351 S C 1.920 176.539 174.600 0.032 0.000 1.052 351 S CA 2.075 60.212 58.200 -0.104 0.000 1.068 351 S CB -0.570 62.602 63.200 -0.047 0.000 0.918 351 S HN 0.408 nan 8.310 nan 0.000 0.448 352 L N 1.447 122.716 121.223 0.077 0.000 2.079 352 L HA -0.044 4.293 4.340 -0.005 0.000 0.210 352 L C 1.935 178.814 176.870 0.015 0.000 1.081 352 L CA 1.547 56.410 54.840 0.037 0.000 0.752 352 L CB -0.571 41.484 42.059 -0.007 0.000 0.896 352 L HN 0.354 nan 8.230 nan 0.000 0.433 353 I N -2.335 118.261 120.570 0.044 0.000 2.439 353 I HA -0.269 3.898 4.170 -0.005 0.000 0.251 353 I C 2.060 178.216 176.117 0.064 0.000 1.139 353 I CA 0.669 61.981 61.300 0.020 0.000 1.438 353 I CB -0.313 37.695 38.000 0.014 0.000 1.085 353 I HN 0.128 nan 8.210 nan 0.000 0.427 354 F N 0.735 120.615 119.950 -0.116 0.000 2.102 354 F HA -0.178 4.346 4.527 -0.006 0.000 0.298 354 F C 2.487 178.253 175.800 -0.057 0.000 1.105 354 F CA 1.327 59.258 58.000 -0.115 0.000 1.239 354 F CB -0.962 37.939 39.000 -0.166 0.000 0.991 354 F HN -0.207 nan 8.300 nan 0.000 0.474 355 V N 0.157 120.166 119.914 0.159 0.000 2.332 355 V HA -0.291 3.826 4.120 -0.005 0.000 0.248 355 V C 2.477 178.587 176.094 0.027 0.000 1.055 355 V CA 1.422 63.773 62.300 0.085 0.000 1.038 355 V CB -0.739 31.110 31.823 0.044 0.000 0.651 355 V HN 0.289 nan 8.190 nan 0.000 0.450 356 L N 0.259 121.458 121.223 -0.040 0.000 2.046 356 L HA -0.196 4.141 4.340 -0.005 0.000 0.208 356 L C 2.462 179.278 176.870 -0.091 0.000 1.077 356 L CA 2.385 57.147 54.840 -0.131 0.000 0.747 356 L CB -0.888 41.024 42.059 -0.244 0.000 0.896 356 L HN 0.535 nan 8.230 nan 0.000 0.432 357 E N -0.991 119.159 120.200 -0.083 0.000 2.077 357 E HA -0.211 4.137 4.350 -0.005 0.000 0.193 357 E C 1.848 178.425 176.600 -0.040 0.000 0.989 357 E CA 1.912 58.257 56.400 -0.092 0.000 0.800 357 E CB 0.137 29.738 29.700 -0.166 0.000 0.746 357 E HN 0.471 nan 8.360 nan 0.000 0.452 358 T N 0.955 115.510 114.554 0.002 0.000 2.684 358 T HA -0.190 4.157 4.350 -0.005 0.000 0.267 358 T C 1.839 176.564 174.700 0.042 0.000 1.036 358 T CA 1.790 63.914 62.100 0.041 0.000 1.148 358 T CB -0.166 68.753 68.868 0.085 0.000 0.863 358 T HN 0.240 nan 8.240 nan 0.000 0.436 359 M N 0.445 120.073 119.600 0.047 0.000 2.229 359 M HA -0.033 4.444 4.480 -0.005 0.000 0.264 359 M C 2.365 178.696 176.300 0.052 0.000 1.063 359 M CA 0.980 56.321 55.300 0.069 0.000 1.114 359 M CB -0.391 32.277 32.600 0.114 0.000 1.387 359 M HN 0.084 nan 8.290 nan 0.000 0.420 360 V N 0.240 120.163 119.914 0.016 0.000 2.548 360 V HA -0.215 3.902 4.120 -0.005 0.000 0.249 360 V C 2.135 178.233 176.094 0.007 0.000 1.055 360 V CA 1.579 63.883 62.300 0.007 0.000 1.065 360 V CB -0.615 31.191 31.823 -0.027 0.000 0.681 360 V HN 0.519 nan 8.190 nan 0.000 0.462 361 Q N 0.456 120.258 119.800 0.004 0.000 2.096 361 Q HA -0.054 4.283 4.340 -0.005 0.000 0.197 361 Q C 0.942 176.954 176.000 0.019 0.000 0.964 361 Q CA 0.774 56.581 55.803 0.006 0.000 0.838 361 Q CB 0.095 28.834 28.738 0.002 0.000 0.906 361 Q HN 0.778 nan 8.270 nan 0.000 0.444 362 Q N 0.260 120.079 119.800 0.031 0.000 2.381 362 Q HA 0.658 4.995 4.340 -0.005 0.000 0.263 362 Q C -1.182 174.844 176.000 0.043 0.000 1.030 362 Q CA -0.703 55.122 55.803 0.037 0.000 0.772 362 Q CB 1.565 30.329 28.738 0.043 0.000 1.232 362 Q HN 0.023 nan 8.270 nan 0.000 0.476 363 A N 3.105 125.947 122.820 0.037 0.000 2.511 363 A HA 0.052 4.369 4.320 -0.005 0.000 0.242 363 A C 0.932 178.540 177.584 0.041 0.000 1.069 363 A CA -0.069 51.991 52.037 0.037 0.000 0.763 363 A CB 0.247 19.264 19.000 0.028 0.000 1.001 363 A HN 0.904 nan 8.150 nan 0.000 0.498 364 E N 1.352 121.578 120.200 0.043 0.000 2.472 364 E HA 0.082 4.429 4.350 -0.005 0.000 0.196 364 E C 0.302 176.926 176.600 0.039 0.000 1.033 364 E CA 0.836 57.265 56.400 0.048 0.000 0.886 364 E CB -0.333 29.402 29.700 0.058 0.000 0.944 364 E HN 0.774 nan 8.360 nan 0.000 0.492 365 S N -1.369 114.349 115.700 0.030 0.000 2.727 365 S HA 0.709 5.176 4.470 -0.005 0.000 0.278 365 S C -0.050 174.561 174.600 0.019 0.000 1.186 365 S CA -0.375 57.840 58.200 0.024 0.000 0.836 365 S CB 0.941 64.153 63.200 0.020 0.000 1.186 365 S HN 0.146 nan 8.310 nan 0.000 0.499 366 A N 0.421 123.250 122.820 0.016 0.000 2.423 366 A HA 0.345 4.662 4.320 -0.005 0.000 0.246 366 A C 0.649 178.239 177.584 0.009 0.000 1.278 366 A CA -0.430 51.615 52.037 0.013 0.000 0.903 366 A CB -0.600 18.408 19.000 0.012 0.000 0.997 366 A HN 0.723 nan 8.150 nan 0.000 0.510 367 K N 0.191 120.596 120.400 0.008 0.000 2.185 367 K HA 0.645 4.962 4.320 -0.005 0.000 0.271 367 K C 0.000 176.602 176.600 0.003 0.000 1.013 367 K CA -0.036 56.253 56.287 0.003 0.000 0.943 367 K CB 1.009 33.508 32.500 -0.001 0.000 0.998 367 K HN 0.048 nan 8.250 nan 0.000 0.468 368 A N 4.007 126.828 122.820 0.001 0.000 2.409 368 A HA 0.384 4.701 4.320 -0.005 0.000 0.262 368 A C 0.169 177.752 177.584 -0.001 0.000 1.113 368 A CA -0.685 51.353 52.037 0.002 0.000 0.790 368 A CB -0.558 18.442 19.000 0.001 0.000 1.046 368 A HN 0.890 nan 8.150 nan 0.000 0.496 369 I N 1.057 121.629 120.570 0.003 0.000 8.311 369 I HA -0.198 3.969 4.170 -0.005 0.000 0.126 369 I C 0.081 176.189 176.117 -0.014 0.000 1.853 369 I CA 0.252 61.552 61.300 -0.001 0.000 2.041 369 I CB -1.392 36.604 38.000 -0.006 0.000 3.804 369 I HN 0.611 nan 8.210 nan 0.000 0.170 370 S N 4.668 120.360 115.700 -0.014 0.000 2.509 370 S HA 0.648 5.115 4.470 -0.005 0.000 0.297 370 S C 0.000 174.532 174.600 -0.114 0.000 1.118 370 S CA -0.642 57.530 58.200 -0.046 0.000 1.074 370 S CB 2.055 65.246 63.200 -0.016 0.000 1.038 370 S HN 0.569 nan 8.310 nan 0.000 0.498 371 T N 2.418 116.855 114.554 -0.195 0.000 2.771 371 T HA 0.692 5.039 4.350 -0.005 0.000 0.281 371 T C 0.369 174.722 174.700 -0.578 0.000 0.982 371 T CA -0.573 61.325 62.100 -0.337 0.000 0.978 371 T CB 1.407 70.126 68.868 -0.249 0.000 0.930 371 T HN 0.717 nan 8.240 nan 0.000 0.447 372 G N 1.004 109.148 108.800 -1.093 0.000 2.730 372 G HA2 0.707 4.664 3.960 -0.005 0.000 0.289 372 G HA3 0.707 4.664 3.960 -0.005 0.000 0.289 372 G C -1.585 172.536 174.900 -1.298 0.000 1.341 372 G CA -0.632 43.639 45.100 -1.381 0.000 0.932 372 G HN 0.664 nan 8.290 nan 0.000 0.481 373 V N -0.135 119.305 119.914 -0.789 0.000 2.638 373 V HA 0.779 4.896 4.120 -0.005 0.000 0.306 373 V C -0.044 176.144 176.094 0.157 0.000 1.052 373 V CA -0.597 61.565 62.300 -0.229 0.000 0.885 373 V CB 1.462 33.103 31.823 -0.302 0.000 0.999 373 V HN 1.263 nan 8.190 nan 0.000 0.424 374 A N 4.898 127.921 122.820 0.339 0.000 2.365 374 A HA 1.068 5.385 4.320 -0.005 0.000 0.318 374 A C -1.146 176.538 177.584 0.167 0.000 1.091 374 A CA -0.474 51.665 52.037 0.171 0.000 0.763 374 A CB 1.471 20.549 19.000 0.130 0.000 1.248 374 A HN 1.385 nan 8.150 nan 0.000 0.442 375 F N -1.091 118.882 119.950 0.037 0.000 2.678 375 F HA 0.876 5.400 4.527 -0.006 0.000 0.308 375 F C -0.455 175.168 175.800 -0.294 0.000 1.118 375 F CA -0.716 57.202 58.000 -0.137 0.000 0.959 375 F CB 0.923 39.923 39.000 -0.000 0.000 1.305 375 F HN 1.101 nan 8.300 nan 0.000 0.443 376 A N 1.239 123.923 122.820 -0.226 0.000 2.583 376 A HA 0.889 5.206 4.320 -0.005 0.000 0.289 376 A C -2.283 174.844 177.584 -0.762 0.000 1.151 376 A CA -0.839 50.908 52.037 -0.483 0.000 0.695 376 A CB 1.283 20.063 19.000 -0.366 0.000 1.290 376 A HN 0.674 nan 8.150 nan 0.000 0.419 377 F N 0.225 120.177 119.950 0.003 0.000 2.458 377 F HA 0.631 5.155 4.527 -0.005 0.000 0.336 377 F C 0.936 176.702 175.800 -0.056 0.000 1.114 377 F CA -0.304 57.703 58.000 0.011 0.000 0.987 377 F CB 2.127 41.171 39.000 0.073 0.000 1.130 377 F HN 0.756 nan 8.300 nan 0.000 0.458 378 G N 2.259 111.117 108.800 0.096 0.000 2.491 378 G HA2 0.503 4.461 3.960 -0.005 0.000 0.327 378 G HA3 0.503 4.461 3.960 -0.005 0.000 0.327 378 G C -2.250 172.678 174.900 0.046 0.000 1.189 378 G CA -1.980 43.137 45.100 0.027 0.000 0.956 378 G HN 0.351 nan 8.290 nan 0.000 0.491 379 P HA -0.230 nan 4.420 nan 0.000 0.212 379 P C 2.054 179.356 177.300 0.003 0.000 1.128 379 P CA 2.452 65.545 63.100 -0.012 0.000 0.961 379 P CB 0.017 31.688 31.700 -0.049 0.000 0.782 380 G N -1.806 106.993 108.800 -0.001 0.000 2.615 380 G HA2 -0.045 3.912 3.960 -0.005 0.000 0.213 380 G HA3 -0.045 3.912 3.960 -0.005 0.000 0.213 380 G C -0.205 174.684 174.900 -0.018 0.000 1.135 380 G CA 0.350 45.443 45.100 -0.011 0.000 0.772 380 G HN 0.278 nan 8.290 nan 0.000 0.542 381 V N -0.125 119.799 119.914 0.018 0.000 4.700 381 V HA -0.169 3.948 4.120 -0.005 0.000 0.388 381 V C 0.052 176.181 176.094 0.059 0.000 0.654 381 V CA 0.828 63.159 62.300 0.051 0.000 1.587 381 V CB -2.342 29.474 31.823 -0.012 0.000 1.932 381 V HN 0.391 nan 8.190 nan 0.000 0.480 382 T N 3.946 118.556 114.554 0.094 0.000 2.807 382 T HA 0.628 4.975 4.350 -0.005 0.000 0.279 382 T C 0.020 174.798 174.700 0.130 0.000 0.993 382 T CA -0.620 61.529 62.100 0.082 0.000 0.970 382 T CB 2.145 71.036 68.868 0.039 0.000 0.950 382 T HN 0.432 nan 8.240 nan 0.000 0.441 383 V N 3.284 123.283 119.914 0.141 0.000 2.461 383 V HA 0.431 4.548 4.120 -0.005 0.000 0.275 383 V C 0.181 176.286 176.094 0.017 0.000 1.047 383 V CA -0.413 61.958 62.300 0.118 0.000 0.955 383 V CB 1.066 32.997 31.823 0.180 0.000 0.988 383 V HN 0.788 nan 8.190 nan 0.000 0.471 384 E N 2.640 122.760 120.200 -0.134 0.000 2.210 384 E HA 0.769 5.116 4.350 -0.005 0.000 0.266 384 E C 0.058 176.405 176.600 -0.422 0.000 0.883 384 E CA 0.114 56.363 56.400 -0.252 0.000 0.761 384 E CB 1.931 31.521 29.700 -0.185 0.000 1.156 384 E HN 0.883 nan 8.360 nan 0.000 0.412 385 G N 1.920 110.191 108.800 -0.881 0.000 2.561 385 G HA2 0.634 4.591 3.960 -0.005 0.000 0.310 385 G HA3 0.634 4.591 3.960 -0.005 0.000 0.310 385 G C -1.359 173.034 174.900 -0.845 0.000 1.292 385 G CA -0.433 44.150 45.100 -0.863 0.000 0.811 385 G HN 0.578 nan 8.290 nan 0.000 0.482 386 M N -1.336 118.114 119.600 -0.250 0.000 2.643 386 M HA 0.769 5.246 4.480 -0.005 0.000 0.276 386 M C -2.134 174.359 176.300 0.322 0.000 1.200 386 M CA -0.934 54.418 55.300 0.087 0.000 0.863 386 M CB 2.148 34.782 32.600 0.057 0.000 1.711 386 M HN 0.729 nan 8.290 nan 0.000 0.492 387 L N 3.211 124.597 121.223 0.273 0.000 2.295 387 L HA 0.896 5.233 4.340 -0.005 0.000 0.285 387 L C -1.525 175.448 176.870 0.170 0.000 1.035 387 L CA -0.062 54.860 54.840 0.137 0.000 0.806 387 L CB 1.238 43.345 42.059 0.079 0.000 1.214 387 L HN 0.752 nan 8.230 nan 0.000 0.426 388 F N 1.279 121.216 119.950 -0.023 0.000 2.626 388 F HA 0.723 5.247 4.527 -0.005 0.000 0.311 388 F C -1.353 174.421 175.800 -0.044 0.000 1.088 388 F CA -1.018 56.964 58.000 -0.029 0.000 0.949 388 F CB 1.319 40.299 39.000 -0.033 0.000 1.322 388 F HN 0.304 nan 8.300 nan 0.000 0.461 389 D N 2.506 123.025 120.400 0.197 0.000 2.505 389 D HA 0.519 5.156 4.640 -0.005 0.000 0.249 389 D C -0.689 175.727 176.300 0.194 0.000 1.082 389 D CA -0.063 53.991 54.000 0.090 0.000 0.839 389 D CB 2.577 43.396 40.800 0.031 0.000 1.317 389 D HN 0.590 nan 8.370 nan 0.000 0.497 390 I N 2.899 123.568 120.570 0.166 0.000 2.354 390 I HA 0.327 4.494 4.170 -0.005 0.000 0.292 390 I C 0.199 176.357 176.117 0.067 0.000 0.989 390 I CA -0.744 60.641 61.300 0.141 0.000 1.188 390 I CB 1.401 39.499 38.000 0.164 0.000 1.342 390 I HN 0.150 nan 8.210 nan 0.000 0.457 391 I N 6.813 127.412 120.570 0.049 0.000 2.337 391 I HA 0.192 4.359 4.170 -0.005 0.000 0.291 391 I C 1.173 177.304 176.117 0.023 0.000 1.046 391 I CA -0.384 60.933 61.300 0.029 0.000 1.324 391 I CB 0.721 38.734 38.000 0.023 0.000 1.409 391 I HN 0.601 nan 8.210 nan 0.000 0.494 392 R N 5.764 126.275 120.500 0.018 0.000 2.105 392 R HA 0.248 4.586 4.340 -0.005 0.000 0.214 392 R C 0.453 176.759 176.300 0.010 0.000 1.091 392 R CA 0.796 56.905 56.100 0.015 0.000 1.007 392 R CB 0.015 30.323 30.300 0.014 0.000 0.912 392 R HN 0.634 nan 8.270 nan 0.000 0.450 393 R N 0.000 120.505 120.500 0.008 0.000 2.786 393 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 393 R CA 0.000 56.103 56.100 0.005 0.000 0.921 393 R CB 0.000 30.303 30.300 0.005 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535