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 3ddn_1_A DATA FIRST_RESID 3 DATA SEQUENCE SLPVVLIADK LAPSTVAALG DQVEVRWVDG PDRDKLLAAV PEADALLVRS DATA SEQUENCE ATTVDAEVLA AAPKLKIVAR AGVGLDNVDV DAATARGVLV VNAPTSNIHS DATA SEQUENCE AAEHALALLL AASRQIPAAD ASLREHTWKR SSFSGTEIFG KTVGVVGLGR DATA SEQUENCE IGQLVAQRIA AFGAYVVAYD PYVSPARAAQ LGIELLSLDD LLARADFISV DATA SEQUENCE HLPKTPETAG LIDKEALAKT KPGVIIVNAA RGGLVDEAAL ADAITGGHVR DATA SEQUENCE AAGLDVFATE PCTDSPLFEL AQVVVTPHLG ASTAEAQDRA GTDVAESVRL DATA SEQUENCE ALAGEFVPDA VNVGGGVVNE EVAPWLDLVR KLGVLAGVLS DELPVSLSVQ DATA SEQUENCE VRGELAAEEV EVLRLSALRG LFSAVIEDAV TFVNAPALAA ERGVTAEICK DATA SEQUENCE ASESPNHRSV VDVRAVGADG SVVTVSGTLY GPQLSQKIVQ INGRHFDLRA DATA SEQUENCE QGINLIIHYV DRPGALGKIG TLLGTAGVNI QAAQLSEDAE GPGATILLRL DATA SEQUENCE DQDVPDDVRT AIAAAVDAYK LEVVDLS 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.597 174.600 -0.006 0.000 1.055 3 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 3 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 4 L N 4.791 126.010 121.223 -0.005 0.000 2.578 4 L HA 0.312 4.654 4.340 0.002 0.000 0.279 4 L C -1.879 174.982 176.870 -0.014 0.000 1.227 4 L CA -0.550 54.285 54.840 -0.008 0.000 0.900 4 L CB -0.478 41.578 42.059 -0.006 0.000 1.144 4 L HN 0.448 nan 8.230 nan 0.000 0.496 5 P HA 0.117 nan 4.420 nan 0.000 0.271 5 P C -0.894 176.384 177.300 -0.036 0.000 1.216 5 P CA -0.306 62.778 63.100 -0.026 0.000 0.776 5 P CB 0.549 32.232 31.700 -0.029 0.000 0.881 6 V N 4.255 124.144 119.914 -0.041 0.000 2.385 6 V HA 0.147 4.268 4.120 0.002 0.000 0.269 6 V C 0.276 176.322 176.094 -0.081 0.000 1.043 6 V CA -0.457 61.809 62.300 -0.055 0.000 0.906 6 V CB 1.378 33.173 31.823 -0.046 0.000 0.995 6 V HN 0.234 nan 8.190 nan 0.000 0.467 7 V N 6.813 126.660 119.914 -0.112 0.000 2.318 7 V HA 0.329 4.450 4.120 0.002 0.000 0.271 7 V C 0.047 176.006 176.094 -0.223 0.000 1.030 7 V CA -0.364 61.843 62.300 -0.155 0.000 0.844 7 V CB 1.462 33.186 31.823 -0.165 0.000 1.015 7 V HN 0.668 nan 8.190 nan 0.000 0.460 8 L N 6.437 127.543 121.223 -0.196 0.000 2.260 8 L HA 0.489 4.830 4.340 0.002 0.000 0.289 8 L C -0.395 176.306 176.870 -0.281 0.000 1.057 8 L CA -0.304 54.404 54.840 -0.221 0.000 0.811 8 L CB 0.826 42.807 42.059 -0.129 0.000 1.184 8 L HN 0.511 nan 8.230 nan 0.000 0.429 9 I N 4.745 125.037 120.570 -0.463 0.000 2.297 9 I HA 0.195 4.367 4.170 0.002 0.000 0.291 9 I C 0.879 176.870 176.117 -0.209 0.000 1.033 9 I CA -0.074 60.961 61.300 -0.442 0.000 1.253 9 I CB 1.410 38.871 38.000 -0.898 0.000 1.396 9 I HN 0.644 nan 8.210 nan 0.000 0.476 10 A N 4.533 127.298 122.820 -0.092 0.000 2.303 10 A HA 0.196 4.517 4.320 0.002 0.000 0.217 10 A C 0.500 178.103 177.584 0.031 0.000 1.205 10 A CA 0.255 52.283 52.037 -0.014 0.000 0.875 10 A CB 0.082 19.067 19.000 -0.025 0.000 0.910 10 A HN 0.643 nan 8.150 nan 0.000 0.501 11 D N -0.873 119.551 120.400 0.040 0.000 2.654 11 D HA 0.358 4.999 4.640 0.002 0.000 0.255 11 D C -0.641 175.733 176.300 0.124 0.000 1.101 11 D CA -0.550 53.488 54.000 0.064 0.000 1.116 11 D CB 0.674 41.492 40.800 0.030 0.000 1.348 11 D HN -0.280 nan 8.370 nan 0.000 0.609 12 K N 0.655 121.115 120.400 0.100 0.000 2.408 12 K HA 0.242 4.563 4.320 0.002 0.000 0.231 12 K C -0.777 175.899 176.600 0.127 0.000 1.261 12 K CA -0.045 56.310 56.287 0.113 0.000 1.193 12 K CB -1.202 31.332 32.500 0.057 0.000 1.431 12 K HN 0.102 nan 8.250 nan 0.000 0.243 13 L N 0.958 122.310 121.223 0.215 0.000 2.287 13 L HA 0.439 4.781 4.340 0.002 0.000 0.287 13 L C 0.412 177.481 176.870 0.331 0.000 1.022 13 L CA -0.689 54.275 54.840 0.205 0.000 0.814 13 L CB 1.458 43.602 42.059 0.142 0.000 1.217 13 L HN 0.295 nan 8.230 nan 0.000 0.420 14 A N 5.072 128.003 122.820 0.184 0.000 2.445 14 A HA 0.459 4.780 4.320 0.002 0.000 0.242 14 A C -1.505 176.225 177.584 0.243 0.000 1.075 14 A CA -0.802 51.315 52.037 0.133 0.000 0.777 14 A CB -0.109 18.918 19.000 0.045 0.000 1.013 14 A HN 0.700 nan 8.150 nan 0.000 0.493 15 P HA -0.211 nan 4.420 nan 0.000 0.216 15 P C 1.756 179.154 177.300 0.165 0.000 1.150 15 P CA 2.203 65.486 63.100 0.305 0.000 0.843 15 P CB 0.029 31.805 31.700 0.126 0.000 0.787 16 S N -2.041 113.712 115.700 0.089 0.000 2.368 16 S HA -0.126 4.346 4.470 0.002 0.000 0.224 16 S C 1.920 176.555 174.600 0.059 0.000 1.029 16 S CA 1.776 60.010 58.200 0.057 0.000 0.988 16 S CB -1.991 61.227 63.200 0.029 0.000 0.838 16 S HN 0.078 nan 8.310 nan 0.000 0.462 17 T N 1.120 115.715 114.554 0.070 0.000 2.897 17 T HA 0.029 4.380 4.350 0.002 0.000 0.271 17 T C 1.274 176.008 174.700 0.055 0.000 1.084 17 T CA 1.300 63.435 62.100 0.059 0.000 1.123 17 T CB -0.244 68.663 68.868 0.065 0.000 0.865 17 T HN 0.305 nan 8.240 nan 0.000 0.496 18 V N 0.528 120.489 119.914 0.077 0.000 3.070 18 V HA 0.569 4.690 4.120 0.002 0.000 0.345 18 V C 1.709 177.828 176.094 0.042 0.000 1.403 18 V CA 0.140 62.469 62.300 0.050 0.000 1.155 18 V CB -0.344 31.508 31.823 0.049 0.000 1.140 18 V HN 0.394 nan 8.190 nan 0.000 0.505 19 A N 0.359 123.207 122.820 0.047 0.000 2.070 19 A HA 0.013 4.334 4.320 0.002 0.000 0.220 19 A C 2.275 179.871 177.584 0.020 0.000 1.159 19 A CA 1.632 53.692 52.037 0.038 0.000 0.656 19 A CB -0.307 18.714 19.000 0.036 0.000 0.800 19 A HN 0.900 nan 8.150 nan 0.000 0.453 20 A N -0.200 122.627 122.820 0.011 0.000 2.076 20 A HA 0.101 4.422 4.320 0.002 0.000 0.220 20 A C 1.102 178.683 177.584 -0.006 0.000 1.160 20 A CA 0.473 52.511 52.037 0.001 0.000 0.653 20 A CB -0.621 18.377 19.000 -0.004 0.000 0.801 20 A HN 0.499 nan 8.150 nan 0.000 0.455 21 L N -0.337 120.881 121.223 -0.009 0.000 2.483 21 L HA 0.285 4.627 4.340 0.002 0.000 0.276 21 L C 1.513 178.380 176.870 -0.006 0.000 1.213 21 L CA -0.239 54.591 54.840 -0.017 0.000 0.843 21 L CB -0.003 42.038 42.059 -0.030 0.000 1.107 21 L HN 0.337 nan 8.230 nan 0.000 0.487 22 G N 0.895 109.690 108.800 -0.008 0.000 2.468 22 G HA2 0.006 3.967 3.960 0.002 0.000 0.264 22 G HA3 0.006 3.967 3.960 0.002 0.000 0.264 22 G C 0.403 175.306 174.900 0.004 0.000 1.460 22 G CA -0.028 45.071 45.100 -0.001 0.000 1.060 22 G HN 0.857 nan 8.290 nan 0.000 0.543 23 D N -0.894 119.510 120.400 0.006 0.000 2.342 23 D HA 0.010 4.651 4.640 0.002 0.000 0.221 23 D C 0.878 177.181 176.300 0.005 0.000 1.101 23 D CA 0.067 54.072 54.000 0.009 0.000 0.837 23 D CB 0.441 41.247 40.800 0.011 0.000 0.938 23 D HN 0.185 nan 8.370 nan 0.000 0.508 24 Q N 0.862 120.662 119.800 -0.001 0.000 2.246 24 Q HA 0.164 4.505 4.340 0.002 0.000 0.202 24 Q C 0.601 176.595 176.000 -0.009 0.000 0.883 24 Q CA -0.032 55.769 55.803 -0.004 0.000 0.952 24 Q CB 1.316 30.051 28.738 -0.005 0.000 1.078 24 Q HN 0.386 nan 8.270 nan 0.000 0.493 25 V N -3.191 116.716 119.914 -0.011 0.000 2.962 25 V HA 0.519 4.641 4.120 0.002 0.000 0.313 25 V C -0.540 175.544 176.094 -0.016 0.000 1.099 25 V CA -1.247 61.041 62.300 -0.021 0.000 0.971 25 V CB 2.745 34.546 31.823 -0.037 0.000 1.028 25 V HN 0.005 nan 8.190 nan 0.000 0.430 26 E N 1.945 122.131 120.200 -0.022 0.000 2.081 26 E HA 0.524 4.876 4.350 0.002 0.000 0.281 26 E C -1.241 175.330 176.600 -0.047 0.000 0.986 26 E CA -0.516 55.875 56.400 -0.014 0.000 0.796 26 E CB 1.703 31.398 29.700 -0.008 0.000 1.085 26 E HN 0.722 nan 8.360 nan 0.000 0.398 27 V N 6.079 125.966 119.914 -0.044 0.000 2.383 27 V HA 0.396 4.517 4.120 0.002 0.000 0.275 27 V C 0.204 176.218 176.094 -0.134 0.000 1.036 27 V CA -0.498 61.700 62.300 -0.170 0.000 0.889 27 V CB 0.958 32.659 31.823 -0.203 0.000 0.985 27 V HN 0.638 nan 8.190 nan 0.000 0.459 28 R N 3.544 123.903 120.500 -0.235 0.000 2.832 28 R HA 0.595 4.936 4.340 0.002 0.000 0.271 28 R C -1.276 174.888 176.300 -0.226 0.000 0.996 28 R CA -0.713 55.360 56.100 -0.044 0.000 0.977 28 R CB 2.281 32.583 30.300 0.002 0.000 1.168 28 R HN 0.580 nan 8.270 nan 0.000 0.482 29 W N 0.860 122.156 121.300 -0.008 0.000 2.639 29 W HA 0.618 5.279 4.660 0.002 0.000 0.347 29 W C -0.649 175.865 176.519 -0.008 0.000 1.067 29 W CA -0.706 56.634 57.345 -0.008 0.000 1.218 29 W CB 2.236 31.691 29.460 -0.008 0.000 1.393 29 W HN 0.193 nan 8.180 nan 0.000 0.557 30 V N 1.837 121.855 119.914 0.174 0.000 3.114 30 V HA 0.181 4.303 4.120 0.002 0.000 0.308 30 V C -1.173 174.981 176.094 0.099 0.000 1.168 30 V CA -0.557 61.807 62.300 0.106 0.000 1.015 30 V CB 2.266 34.115 31.823 0.043 0.000 1.050 30 V HN 0.460 nan 8.190 nan 0.000 0.433 31 D N 3.279 123.721 120.400 0.070 0.000 2.455 31 D HA 0.348 4.989 4.640 0.002 0.000 0.234 31 D C 1.234 177.555 176.300 0.035 0.000 1.224 31 D CA 0.974 55.006 54.000 0.054 0.000 0.999 31 D CB 0.965 41.789 40.800 0.039 0.000 1.072 31 D HN 0.714 nan 8.370 nan 0.000 0.514 32 G N 4.077 112.897 108.800 0.033 0.000 2.491 32 G HA2 -0.232 3.730 3.960 0.002 0.000 0.218 32 G HA3 -0.232 3.730 3.960 0.002 0.000 0.218 32 G C -0.576 174.331 174.900 0.011 0.000 1.180 32 G CA 0.290 45.399 45.100 0.016 0.000 0.774 32 G HN 0.458 nan 8.290 nan 0.000 0.562 33 P HA -0.044 nan 4.420 nan 0.000 0.218 33 P C 0.506 177.811 177.300 0.009 0.000 1.146 33 P CA 0.958 64.064 63.100 0.009 0.000 0.820 33 P CB 0.123 31.829 31.700 0.011 0.000 0.778 34 D N -0.504 119.903 120.400 0.012 0.000 2.365 34 D HA 0.026 4.667 4.640 0.002 0.000 0.237 34 D C 1.155 177.460 176.300 0.008 0.000 1.190 34 D CA -0.162 53.844 54.000 0.010 0.000 0.867 34 D CB 0.448 41.256 40.800 0.013 0.000 1.050 34 D HN -0.181 nan 8.370 nan 0.000 0.491 35 R N 2.884 123.387 120.500 0.006 0.000 2.081 35 R HA -0.105 4.237 4.340 0.002 0.000 0.235 35 R C 1.047 177.349 176.300 0.004 0.000 1.131 35 R CA 0.903 57.005 56.100 0.004 0.000 0.960 35 R CB -0.257 30.044 30.300 0.002 0.000 0.856 35 R HN 0.527 nan 8.270 nan 0.000 0.436 36 D N 0.796 121.199 120.400 0.005 0.000 2.123 36 D HA -0.128 4.514 4.640 0.002 0.000 0.196 36 D C 1.850 178.154 176.300 0.006 0.000 0.992 36 D CA 1.075 55.078 54.000 0.005 0.000 0.833 36 D CB 0.029 40.832 40.800 0.005 0.000 0.954 36 D HN 0.104 nan 8.370 nan 0.000 0.455 37 K N 0.621 121.026 120.400 0.009 0.000 2.002 37 K HA -0.074 4.247 4.320 0.002 0.000 0.209 37 K C 2.329 178.935 176.600 0.010 0.000 1.048 37 K CA 0.190 56.484 56.287 0.012 0.000 0.930 37 K CB -0.778 31.733 32.500 0.018 0.000 0.714 37 K HN 0.220 nan 8.250 nan 0.000 0.438 38 L N 0.896 122.124 121.223 0.007 0.000 1.989 38 L HA -0.224 4.117 4.340 0.002 0.000 0.211 38 L C 2.232 179.100 176.870 -0.003 0.000 1.071 38 L CA 1.302 56.143 54.840 0.001 0.000 0.749 38 L CB -0.278 41.781 42.059 -0.000 0.000 0.890 38 L HN 0.109 nan 8.230 nan 0.000 0.431 39 L N -0.074 121.148 121.223 -0.002 0.000 2.131 39 L HA -0.136 4.205 4.340 0.002 0.000 0.210 39 L C 2.749 179.618 176.870 -0.003 0.000 1.092 39 L CA 1.885 56.723 54.840 -0.003 0.000 0.759 39 L CB -1.604 40.454 42.059 -0.002 0.000 0.903 39 L HN 0.270 nan 8.230 nan 0.000 0.435 40 A N -1.231 121.589 122.820 0.000 0.000 2.016 40 A HA 0.111 4.433 4.320 0.002 0.000 0.217 40 A C 2.359 179.943 177.584 0.000 0.000 1.162 40 A CA 1.229 53.267 52.037 0.001 0.000 0.662 40 A CB -0.401 18.602 19.000 0.005 0.000 0.812 40 A HN 0.337 nan 8.150 nan 0.000 0.450 41 A N -1.222 121.598 122.820 -0.001 0.000 2.095 41 A HA 0.274 4.595 4.320 0.002 0.000 0.212 41 A C 2.007 179.583 177.584 -0.013 0.000 1.162 41 A CA 1.061 53.096 52.037 -0.003 0.000 0.753 41 A CB -0.432 18.569 19.000 0.001 0.000 0.840 41 A HN 0.463 nan 8.150 nan 0.000 0.468 42 V N 0.612 120.517 119.914 -0.015 0.000 2.871 42 V HA -0.021 4.100 4.120 0.002 0.000 0.256 42 V C -0.899 175.183 176.094 -0.020 0.000 1.082 42 V CA 1.505 63.792 62.300 -0.022 0.000 1.105 42 V CB -0.426 31.383 31.823 -0.022 0.000 0.713 42 V HN 0.336 nan 8.190 nan 0.000 0.473 43 P HA -0.186 nan 4.420 nan 0.000 0.217 43 P C 1.298 178.589 177.300 -0.015 0.000 1.148 43 P CA 1.562 64.654 63.100 -0.013 0.000 0.828 43 P CB -0.014 31.681 31.700 -0.009 0.000 0.783 44 E N -1.089 119.101 120.200 -0.017 0.000 2.478 44 E HA 0.164 4.515 4.350 0.002 0.000 0.194 44 E C 0.605 177.189 176.600 -0.026 0.000 1.045 44 E CA -0.248 56.142 56.400 -0.018 0.000 0.868 44 E CB -0.015 29.676 29.700 -0.015 0.000 0.885 44 E HN 0.156 nan 8.360 nan 0.000 0.505 45 A N 1.519 124.320 122.820 -0.033 0.000 2.409 45 A HA 0.047 4.368 4.320 0.002 0.000 0.262 45 A C 0.481 178.039 177.584 -0.042 0.000 1.113 45 A CA -0.279 51.731 52.037 -0.045 0.000 0.790 45 A CB 0.411 19.379 19.000 -0.054 0.000 1.046 45 A HN 0.011 nan 8.150 nan 0.000 0.496 46 D N 1.114 121.486 120.400 -0.047 0.000 2.240 46 D HA 0.236 4.877 4.640 0.002 0.000 0.206 46 D C 0.706 176.973 176.300 -0.053 0.000 0.963 46 D CA 1.476 55.449 54.000 -0.044 0.000 0.863 46 D CB 0.442 41.217 40.800 -0.041 0.000 0.973 46 D HN 0.657 nan 8.370 nan 0.000 0.501 47 A N 0.541 123.320 122.820 -0.068 0.000 2.498 47 A HA 0.602 4.924 4.320 0.002 0.000 0.298 47 A C -1.702 175.827 177.584 -0.091 0.000 1.075 47 A CA -0.537 51.453 52.037 -0.078 0.000 0.714 47 A CB 2.029 20.978 19.000 -0.085 0.000 1.299 47 A HN 0.071 nan 8.150 nan 0.000 0.407 48 L N 1.986 123.156 121.223 -0.088 0.000 2.406 48 L HA 0.689 5.030 4.340 0.002 0.000 0.272 48 L C -1.401 175.412 176.870 -0.096 0.000 0.980 48 L CA -0.210 54.574 54.840 -0.094 0.000 0.831 48 L CB 1.295 43.312 42.059 -0.071 0.000 1.253 48 L HN 0.635 nan 8.230 nan 0.000 0.406 49 L N 5.498 126.650 121.223 -0.118 0.000 2.331 49 L HA 0.869 5.210 4.340 0.002 0.000 0.275 49 L C -0.605 176.216 176.870 -0.081 0.000 1.022 49 L CA -1.059 53.721 54.840 -0.101 0.000 0.812 49 L CB 1.827 43.816 42.059 -0.116 0.000 1.257 49 L HN 0.438 nan 8.230 nan 0.000 0.435 50 V N 1.967 121.848 119.914 -0.055 0.000 3.178 50 V HA 0.441 4.563 4.120 0.002 0.000 0.302 50 V C -0.222 175.857 176.094 -0.024 0.000 1.262 50 V CA -0.308 61.970 62.300 -0.036 0.000 1.030 50 V CB 3.096 34.898 31.823 -0.035 0.000 1.074 50 V HN 0.863 nan 8.190 nan 0.000 0.438 51 R N 0.704 121.196 120.500 -0.013 0.000 1.787 51 R HA 0.348 4.689 4.340 0.002 0.000 0.132 51 R C 1.362 177.652 176.300 -0.015 0.000 2.093 51 R CA 1.119 57.212 56.100 -0.011 0.000 1.747 51 R CB 0.401 30.701 30.300 -0.000 0.000 1.388 51 R HN 0.803 nan 8.270 nan 0.000 0.484 52 S N -1.481 114.211 115.700 -0.014 0.000 2.679 52 S HA 0.281 4.753 4.470 0.002 0.000 0.258 52 S C 1.272 175.865 174.600 -0.012 0.000 1.068 52 S CA 0.036 58.225 58.200 -0.018 0.000 1.115 52 S CB 1.320 64.502 63.200 -0.029 0.000 1.078 52 S HN 0.359 nan 8.310 nan 0.000 0.603 53 A N 1.730 124.546 122.820 -0.007 0.000 2.021 53 A HA 0.346 4.667 4.320 0.002 0.000 0.216 53 A C 1.143 178.727 177.584 -0.001 0.000 1.163 53 A CA 0.747 52.783 52.037 -0.003 0.000 0.676 53 A CB -0.537 18.464 19.000 0.003 0.000 0.818 53 A HN 0.426 nan 8.150 nan 0.000 0.453 54 T N 1.392 115.945 114.554 -0.003 0.000 2.806 54 T HA 0.420 4.772 4.350 0.002 0.000 0.290 54 T C 0.203 174.898 174.700 -0.007 0.000 0.966 54 T CA 0.333 62.431 62.100 -0.004 0.000 1.060 54 T CB 1.033 69.897 68.868 -0.006 0.000 0.927 54 T HN 0.404 nan 8.240 nan 0.000 0.485 55 T N 0.823 115.373 114.554 -0.006 0.000 2.744 55 T HA 0.431 4.782 4.350 0.002 0.000 0.291 55 T C -0.147 174.548 174.700 -0.009 0.000 0.957 55 T CA -0.739 61.357 62.100 -0.007 0.000 1.002 55 T CB 0.377 69.243 68.868 -0.004 0.000 0.919 55 T HN 0.239 nan 8.240 nan 0.000 0.468 56 V N 5.995 125.901 119.914 -0.012 0.000 2.184 56 V HA 0.252 4.374 4.120 0.002 0.000 0.262 56 V C 0.176 176.263 176.094 -0.012 0.000 1.209 56 V CA -0.778 61.513 62.300 -0.015 0.000 1.070 56 V CB -0.851 30.959 31.823 -0.021 0.000 1.244 56 V HN 1.017 nan 8.190 nan 0.000 0.477 57 D N 3.003 123.398 120.400 -0.009 0.000 2.511 57 D HA 0.463 5.104 4.640 0.002 0.000 0.276 57 D C 1.459 177.754 176.300 -0.008 0.000 1.220 57 D CA -0.068 53.928 54.000 -0.007 0.000 1.077 57 D CB 0.903 41.700 40.800 -0.005 0.000 1.126 57 D HN 0.198 nan 8.370 nan 0.000 0.583 58 A N -0.848 121.968 122.820 -0.006 0.000 1.933 58 A HA -0.225 4.097 4.320 0.002 0.000 0.218 58 A C 1.999 179.579 177.584 -0.006 0.000 1.175 58 A CA 1.967 54.001 52.037 -0.006 0.000 0.628 58 A CB -1.108 17.889 19.000 -0.004 0.000 0.814 58 A HN 0.755 nan 8.150 nan 0.000 0.444 59 E N -0.102 120.095 120.200 -0.005 0.000 2.038 59 E HA -0.177 4.175 4.350 0.002 0.000 0.195 59 E C 1.902 178.498 176.600 -0.007 0.000 1.000 59 E CA 1.795 58.193 56.400 -0.005 0.000 0.803 59 E CB -0.201 29.497 29.700 -0.004 0.000 0.750 59 E HN 0.323 nan 8.360 nan 0.000 0.448 60 V N 1.320 121.229 119.914 -0.008 0.000 2.287 60 V HA -0.297 3.824 4.120 0.002 0.000 0.248 60 V C 2.501 178.588 176.094 -0.013 0.000 1.053 60 V CA 1.807 64.100 62.300 -0.011 0.000 1.027 60 V CB -0.526 31.289 31.823 -0.013 0.000 0.646 60 V HN 0.336 nan 8.190 nan 0.000 0.447 61 L N 0.094 121.310 121.223 -0.012 0.000 2.046 61 L HA -0.138 4.203 4.340 0.002 0.000 0.208 61 L C 2.752 179.616 176.870 -0.011 0.000 1.077 61 L CA 1.569 56.401 54.840 -0.013 0.000 0.747 61 L CB -0.885 41.167 42.059 -0.012 0.000 0.896 61 L HN 0.351 nan 8.230 nan 0.000 0.432 62 A N 0.090 122.905 122.820 -0.008 0.000 1.978 62 A HA -0.164 4.158 4.320 0.002 0.000 0.220 62 A C 2.383 179.963 177.584 -0.007 0.000 1.170 62 A CA 1.797 53.830 52.037 -0.007 0.000 0.636 62 A CB -0.606 18.391 19.000 -0.005 0.000 0.810 62 A HN 0.421 nan 8.150 nan 0.000 0.448 63 A N -1.259 121.556 122.820 -0.008 0.000 2.208 63 A HA 0.546 4.867 4.320 0.002 0.000 0.209 63 A C 1.252 178.830 177.584 -0.011 0.000 1.161 63 A CA 0.885 52.917 52.037 -0.008 0.000 0.782 63 A CB -0.377 18.618 19.000 -0.008 0.000 0.816 63 A HN 1.084 nan 8.150 nan 0.000 0.477 64 A N 0.460 123.272 122.820 -0.013 0.000 2.801 64 A HA 0.616 4.937 4.320 0.002 0.000 0.344 64 A C -1.709 175.866 177.584 -0.015 0.000 1.322 64 A CA -1.227 50.800 52.037 -0.016 0.000 0.913 64 A CB 0.353 19.340 19.000 -0.021 0.000 1.140 64 A HN 0.133 nan 8.150 nan 0.000 0.487 65 P HA -0.122 nan 4.420 nan 0.000 0.223 65 P C 0.895 178.188 177.300 -0.012 0.000 1.151 65 P CA 1.193 64.287 63.100 -0.010 0.000 0.787 65 P CB 0.205 31.900 31.700 -0.008 0.000 0.788 66 K N -1.307 119.084 120.400 -0.015 0.000 2.455 66 K HA 0.200 4.521 4.320 0.002 0.000 0.206 66 K C 0.206 176.793 176.600 -0.022 0.000 1.027 66 K CA -0.312 55.965 56.287 -0.016 0.000 1.113 66 K CB 0.024 32.515 32.500 -0.015 0.000 0.850 66 K HN 0.108 nan 8.250 nan 0.000 0.503 67 L N 2.440 123.649 121.223 -0.024 0.000 2.513 67 L HA 0.031 4.372 4.340 0.002 0.000 0.272 67 L C 0.665 177.517 176.870 -0.029 0.000 1.187 67 L CA 0.563 55.386 54.840 -0.030 0.000 0.895 67 L CB 0.704 42.745 42.059 -0.030 0.000 1.147 67 L HN 0.334 nan 8.230 nan 0.000 0.483 68 K N 5.178 125.557 120.400 -0.035 0.000 2.370 68 K HA 0.355 4.677 4.320 0.002 0.000 0.194 68 K C -0.316 176.257 176.600 -0.045 0.000 1.070 68 K CA 0.398 56.664 56.287 -0.035 0.000 0.998 68 K CB 0.825 33.305 32.500 -0.033 0.000 0.911 68 K HN 0.504 nan 8.250 nan 0.000 0.533 69 I N 0.714 121.252 120.570 -0.053 0.000 2.644 69 I HA 0.275 4.446 4.170 0.002 0.000 0.291 69 I C -0.924 175.155 176.117 -0.064 0.000 1.180 69 I CA -1.207 60.054 61.300 -0.065 0.000 1.040 69 I CB 2.278 40.232 38.000 -0.075 0.000 1.255 69 I HN -0.367 nan 8.210 nan 0.000 0.422 70 V N 4.194 124.071 119.914 -0.063 0.000 2.384 70 V HA 0.713 4.835 4.120 0.002 0.000 0.287 70 V C 0.308 176.362 176.094 -0.068 0.000 1.020 70 V CA -0.374 61.890 62.300 -0.061 0.000 0.850 70 V CB 1.553 33.346 31.823 -0.049 0.000 0.987 70 V HN 0.877 nan 8.190 nan 0.000 0.436 71 A N 5.628 128.406 122.820 -0.070 0.000 2.287 71 A HA 0.751 5.072 4.320 0.002 0.000 0.317 71 A C -0.206 177.342 177.584 -0.059 0.000 1.220 71 A CA -0.697 51.297 52.037 -0.072 0.000 0.835 71 A CB 0.947 19.900 19.000 -0.078 0.000 1.180 71 A HN 0.624 nan 8.150 nan 0.000 0.500 72 R N 2.755 123.223 120.500 -0.053 0.000 2.229 72 R HA 0.478 4.819 4.340 0.002 0.000 0.332 72 R C -0.191 176.087 176.300 -0.037 0.000 0.989 72 R CA -0.163 55.913 56.100 -0.041 0.000 0.842 72 R CB 1.172 31.451 30.300 -0.035 0.000 1.119 72 R HN 0.797 nan 8.270 nan 0.000 0.456 73 A N 3.302 126.104 122.820 -0.030 0.000 2.906 73 A HA 0.500 4.822 4.320 0.002 0.000 0.289 73 A C 0.366 177.940 177.584 -0.017 0.000 1.675 73 A CA 0.506 52.530 52.037 -0.022 0.000 1.372 73 A CB -0.270 18.722 19.000 -0.014 0.000 1.091 73 A HN 0.873 nan 8.150 nan 0.000 0.579 74 G N -0.742 108.046 108.800 -0.019 0.000 2.323 74 G HA2 0.333 4.295 3.960 0.002 0.000 0.291 74 G HA3 0.333 4.295 3.960 0.002 0.000 0.291 74 G C -0.004 174.888 174.900 -0.013 0.000 1.278 74 G CA 0.082 45.173 45.100 -0.015 0.000 0.860 74 G HN 0.469 nan 8.290 nan 0.000 0.504 75 V N 0.560 120.470 119.914 -0.006 0.000 2.788 75 V HA 0.373 4.494 4.120 0.002 0.000 0.241 75 V C 2.022 178.117 176.094 0.002 0.000 1.083 75 V CA 1.462 63.761 62.300 -0.001 0.000 1.103 75 V CB -0.207 31.622 31.823 0.010 0.000 0.800 75 V HN 1.126 nan 8.190 nan 0.000 0.476 76 G N -0.307 108.496 108.800 0.005 0.000 2.594 76 G HA2 0.384 4.345 3.960 0.002 0.000 0.243 76 G HA3 0.384 4.345 3.960 0.002 0.000 0.243 76 G C -0.072 174.827 174.900 -0.002 0.000 1.229 76 G CA -0.142 44.963 45.100 0.008 0.000 0.843 76 G HN 0.313 nan 8.290 nan 0.000 0.578 77 L N 0.445 121.669 121.223 0.001 0.000 3.358 77 L HA 0.196 4.537 4.340 0.002 0.000 0.301 77 L C 1.229 178.098 176.870 -0.001 0.000 1.276 77 L CA -0.181 54.656 54.840 -0.004 0.000 1.028 77 L CB 0.669 42.725 42.059 -0.005 0.000 1.421 77 L HN 0.476 nan 8.230 nan 0.000 0.604 78 D N 1.575 121.977 120.400 0.004 0.000 2.182 78 D HA -0.146 4.495 4.640 0.002 0.000 0.201 78 D C 1.450 177.751 176.300 0.002 0.000 0.986 78 D CA 1.331 55.334 54.000 0.006 0.000 0.847 78 D CB 0.171 40.979 40.800 0.012 0.000 0.942 78 D HN 0.509 nan 8.370 nan 0.000 0.467 79 N N 0.227 118.925 118.700 -0.003 0.000 2.336 79 N HA -0.039 4.703 4.740 0.002 0.000 0.189 79 N C -0.136 175.368 175.510 -0.009 0.000 1.113 79 N CA 0.077 53.124 53.050 -0.006 0.000 0.858 79 N CB 0.596 39.078 38.487 -0.008 0.000 0.970 79 N HN -0.073 nan 8.380 nan 0.000 0.471 80 V N 1.042 120.951 119.914 -0.009 0.000 2.487 80 V HA 0.151 4.272 4.120 0.002 0.000 0.298 80 V C -0.600 175.489 176.094 -0.008 0.000 1.028 80 V CA -1.042 61.251 62.300 -0.012 0.000 0.860 80 V CB 1.883 33.696 31.823 -0.018 0.000 0.991 80 V HN -0.005 nan 8.190 nan 0.000 0.427 81 D N 3.702 124.097 120.400 -0.008 0.000 2.470 81 D HA 0.143 4.784 4.640 0.002 0.000 0.226 81 D C 0.969 177.265 176.300 -0.006 0.000 1.196 81 D CA 0.086 54.083 54.000 -0.005 0.000 0.979 81 D CB 1.317 42.115 40.800 -0.005 0.000 1.059 81 D HN 0.282 nan 8.370 nan 0.000 0.515 82 V N 3.093 123.004 119.914 -0.005 0.000 2.626 82 V HA -0.164 3.957 4.120 0.002 0.000 0.252 82 V C 1.791 177.884 176.094 -0.001 0.000 1.067 82 V CA 1.156 63.453 62.300 -0.005 0.000 1.081 82 V CB -0.218 31.604 31.823 -0.002 0.000 0.686 82 V HN 0.425 nan 8.190 nan 0.000 0.468 83 D N 0.843 121.243 120.400 0.001 0.000 2.097 83 D HA -0.075 4.567 4.640 0.002 0.000 0.197 83 D C 2.305 178.606 176.300 0.001 0.000 0.984 83 D CA 1.657 55.659 54.000 0.003 0.000 0.826 83 D CB -0.279 40.523 40.800 0.004 0.000 0.973 83 D HN 0.412 nan 8.370 nan 0.000 0.460 84 A N 1.067 123.886 122.820 -0.001 0.000 1.940 84 A HA -0.089 4.232 4.320 0.002 0.000 0.219 84 A C 2.293 179.874 177.584 -0.005 0.000 1.176 84 A CA 2.305 54.340 52.037 -0.003 0.000 0.631 84 A CB -0.676 18.322 19.000 -0.004 0.000 0.814 84 A HN 0.240 nan 8.150 nan 0.000 0.446 85 A N -0.997 121.819 122.820 -0.007 0.000 1.902 85 A HA -0.069 4.252 4.320 0.002 0.000 0.217 85 A C 2.312 179.892 177.584 -0.007 0.000 1.181 85 A CA 2.261 54.291 52.037 -0.011 0.000 0.623 85 A CB -1.244 17.746 19.000 -0.017 0.000 0.818 85 A HN 0.436 nan 8.150 nan 0.000 0.443 86 T N 0.478 115.031 114.554 -0.002 0.000 2.746 86 T HA -0.025 4.326 4.350 0.002 0.000 0.267 86 T C 2.223 176.927 174.700 0.007 0.000 1.039 86 T CA 1.542 63.646 62.100 0.005 0.000 1.142 86 T CB -0.530 68.346 68.868 0.013 0.000 0.866 86 T HN 0.607 nan 8.240 nan 0.000 0.444 87 A N 2.034 124.856 122.820 0.004 0.000 1.986 87 A HA -0.162 4.159 4.320 0.002 0.000 0.220 87 A C 2.125 179.711 177.584 0.003 0.000 1.171 87 A CA 1.292 53.331 52.037 0.004 0.000 0.640 87 A CB -0.373 18.628 19.000 0.002 0.000 0.811 87 A HN 0.477 nan 8.150 nan 0.000 0.451 88 R N -1.530 118.970 120.500 -0.000 0.000 2.427 88 R HA 0.292 4.633 4.340 0.002 0.000 0.262 88 R C 0.974 177.273 176.300 -0.001 0.000 0.943 88 R CA 0.469 56.568 56.100 -0.001 0.000 1.081 88 R CB -0.094 30.203 30.300 -0.005 0.000 1.166 88 R HN 0.693 nan 8.270 nan 0.000 0.534 89 G N 1.335 110.136 108.800 0.001 0.000 2.160 89 G HA2 -0.255 3.706 3.960 0.002 0.000 0.251 89 G HA3 -0.255 3.706 3.960 0.002 0.000 0.251 89 G C 0.064 174.960 174.900 -0.006 0.000 1.008 89 G CA 0.102 45.203 45.100 0.002 0.000 0.724 89 G HN 0.175 nan 8.290 nan 0.000 0.514 90 V N 1.214 121.121 119.914 -0.012 0.000 2.364 90 V HA 0.497 4.618 4.120 0.002 0.000 0.272 90 V C 0.877 176.952 176.094 -0.031 0.000 1.036 90 V CA -0.765 61.521 62.300 -0.023 0.000 0.880 90 V CB 1.469 33.277 31.823 -0.024 0.000 0.991 90 V HN 0.462 nan 8.190 nan 0.000 0.460 91 L N 7.323 128.520 121.223 -0.043 0.000 2.534 91 L HA 0.204 4.545 4.340 0.002 0.000 0.271 91 L C -0.079 176.746 176.870 -0.075 0.000 1.178 91 L CA 0.944 55.745 54.840 -0.066 0.000 0.907 91 L CB 0.693 42.700 42.059 -0.086 0.000 1.164 91 L HN 0.449 nan 8.230 nan 0.000 0.482 92 V N 6.236 126.102 119.914 -0.079 0.000 2.483 92 V HA 0.554 4.675 4.120 0.002 0.000 0.295 92 V C -0.158 175.868 176.094 -0.114 0.000 1.035 92 V CA -0.537 61.716 62.300 -0.080 0.000 0.896 92 V CB 1.713 33.504 31.823 -0.054 0.000 0.986 92 V HN 0.579 nan 8.190 nan 0.000 0.447 93 V N 4.952 124.800 119.914 -0.110 0.000 2.876 93 V HA 0.687 4.808 4.120 0.002 0.000 0.312 93 V C -0.720 175.318 176.094 -0.093 0.000 1.085 93 V CA -0.508 61.713 62.300 -0.131 0.000 0.945 93 V CB 2.427 34.159 31.823 -0.151 0.000 1.017 93 V HN 1.117 nan 8.190 nan 0.000 0.428 94 N N 3.687 122.335 118.700 -0.087 0.000 3.100 94 N HA 0.743 5.484 4.740 0.002 0.000 0.344 94 N C -0.738 174.738 175.510 -0.057 0.000 1.413 94 N CA -0.266 52.748 53.050 -0.060 0.000 0.752 94 N CB 1.843 40.305 38.487 -0.041 0.000 1.519 94 N HN 0.737 nan 8.380 nan 0.000 0.620 95 A N 0.064 122.861 122.820 -0.038 0.000 2.802 95 A HA 0.453 4.774 4.320 0.002 0.000 0.344 95 A C -1.909 175.662 177.584 -0.020 0.000 1.215 95 A CA -1.247 50.772 52.037 -0.031 0.000 0.821 95 A CB 0.452 19.439 19.000 -0.022 0.000 1.099 95 A HN 0.640 nan 8.150 nan 0.000 0.479 96 P HA -0.079 nan 4.420 nan 0.000 0.223 96 P C 0.982 178.273 177.300 -0.015 0.000 1.151 96 P CA 1.628 64.719 63.100 -0.015 0.000 0.787 96 P CB 0.095 31.788 31.700 -0.012 0.000 0.788 97 T N -4.503 110.042 114.554 -0.014 0.000 3.132 97 T HA 0.161 4.513 4.350 0.002 0.000 0.274 97 T C 1.485 176.181 174.700 -0.006 0.000 1.011 97 T CA 0.305 62.393 62.100 -0.021 0.000 0.899 97 T CB -0.676 68.180 68.868 -0.020 0.000 1.089 97 T HN 0.094 nan 8.240 nan 0.000 0.543 98 S N 2.650 118.352 115.700 0.004 0.000 2.436 98 S HA -0.106 4.365 4.470 0.002 0.000 0.228 98 S C 1.782 176.402 174.600 0.033 0.000 1.014 98 S CA 0.743 58.956 58.200 0.022 0.000 0.950 98 S CB -0.593 62.614 63.200 0.013 0.000 0.784 98 S HN 0.642 nan 8.310 nan 0.000 0.504 99 N N 2.392 121.102 118.700 0.017 0.000 2.280 99 N HA 0.082 4.824 4.740 0.002 0.000 0.192 99 N C 1.477 176.991 175.510 0.008 0.000 1.109 99 N CA 0.475 53.539 53.050 0.024 0.000 0.855 99 N CB -0.755 37.746 38.487 0.023 0.000 0.974 99 N HN 0.747 nan 8.380 nan 0.000 0.482 100 I N -1.497 119.043 120.570 -0.050 0.000 2.226 100 I HA -0.198 3.974 4.170 0.002 0.000 0.245 100 I C 1.808 177.824 176.117 -0.168 0.000 1.100 100 I CA 1.184 62.398 61.300 -0.144 0.000 1.374 100 I CB -0.639 37.213 38.000 -0.247 0.000 1.057 100 I HN -0.032 nan 8.210 nan 0.000 0.413 101 H N 1.229 120.307 119.070 0.014 0.000 2.357 101 H HA -0.027 4.530 4.556 0.002 0.000 0.301 101 H C 2.633 177.981 175.328 0.034 0.000 1.082 101 H CA 1.730 57.788 56.048 0.018 0.000 1.342 101 H CB -0.183 29.588 29.762 0.015 0.000 1.389 101 H HN 0.413 nan 8.280 nan 0.000 0.511 102 S N 0.445 116.233 115.700 0.147 0.000 2.402 102 S HA -0.053 4.419 4.470 0.002 0.000 0.229 102 S C 2.412 177.080 174.600 0.113 0.000 1.021 102 S CA 0.764 59.031 58.200 0.112 0.000 0.974 102 S CB -0.076 63.170 63.200 0.078 0.000 0.800 102 S HN 0.517 nan 8.310 nan 0.000 0.484 103 A N 1.576 124.449 122.820 0.087 0.000 1.872 103 A HA 0.246 4.567 4.320 0.002 0.000 0.214 103 A C 2.357 180.016 177.584 0.125 0.000 1.187 103 A CA 1.464 53.565 52.037 0.106 0.000 0.614 103 A CB -1.128 17.916 19.000 0.074 0.000 0.826 103 A HN 0.482 nan 8.150 nan 0.000 0.442 104 A N 0.166 123.024 122.820 0.064 0.000 1.892 104 A HA -0.241 4.081 4.320 0.002 0.000 0.218 104 A C 1.900 179.529 177.584 0.074 0.000 1.188 104 A CA 1.888 53.947 52.037 0.037 0.000 0.631 104 A CB -0.673 18.318 19.000 -0.015 0.000 0.822 104 A HN 0.640 nan 8.150 nan 0.000 0.447 105 E N -1.798 118.461 120.200 0.099 0.000 2.110 105 E HA -0.224 4.127 4.350 0.002 0.000 0.193 105 E C 1.952 178.610 176.600 0.097 0.000 0.988 105 E CA 1.343 57.800 56.400 0.095 0.000 0.804 105 E CB -0.244 29.520 29.700 0.108 0.000 0.745 105 E HN 0.861 nan 8.360 nan 0.000 0.458 106 H N 0.149 119.245 119.070 0.044 0.000 2.428 106 H HA 0.061 4.618 4.556 0.002 0.000 0.296 106 H C 1.854 177.200 175.328 0.030 0.000 1.062 106 H CA 1.299 57.369 56.048 0.037 0.000 1.350 106 H CB 0.052 29.841 29.762 0.044 0.000 1.403 106 H HN 0.166 nan 8.280 nan 0.000 0.533 107 A N 0.704 123.572 122.820 0.080 0.000 1.877 107 A HA -0.112 4.210 4.320 0.002 0.000 0.216 107 A C 2.237 179.791 177.584 -0.049 0.000 1.186 107 A CA 1.316 53.377 52.037 0.041 0.000 0.620 107 A CB -0.687 18.426 19.000 0.188 0.000 0.822 107 A HN 0.391 nan 8.150 nan 0.000 0.443 108 L N -0.510 120.687 121.223 -0.044 0.000 2.042 108 L HA -0.212 4.130 4.340 0.002 0.000 0.210 108 L C 3.081 179.869 176.870 -0.138 0.000 1.076 108 L CA 2.084 56.859 54.840 -0.109 0.000 0.749 108 L CB -1.774 40.241 42.059 -0.074 0.000 0.893 108 L HN 0.477 nan 8.230 nan 0.000 0.432 109 A N -0.310 122.431 122.820 -0.133 0.000 1.873 109 A HA -0.239 4.083 4.320 0.002 0.000 0.218 109 A C 2.196 179.660 177.584 -0.199 0.000 1.193 109 A CA 1.651 53.590 52.037 -0.163 0.000 0.629 109 A CB -0.717 18.165 19.000 -0.198 0.000 0.826 109 A HN 0.316 nan 8.150 nan 0.000 0.447 110 L N -0.818 120.242 121.223 -0.272 0.000 2.131 110 L HA -0.075 4.266 4.340 0.002 0.000 0.210 110 L C 2.417 179.225 176.870 -0.104 0.000 1.092 110 L CA 1.616 56.340 54.840 -0.193 0.000 0.759 110 L CB -1.006 40.935 42.059 -0.197 0.000 0.903 110 L HN 0.549 nan 8.230 nan 0.000 0.435 111 L N -1.602 119.555 121.223 -0.110 0.000 2.056 111 L HA -0.190 4.151 4.340 0.002 0.000 0.207 111 L C 2.353 179.167 176.870 -0.093 0.000 1.078 111 L CA 1.147 55.935 54.840 -0.085 0.000 0.749 111 L CB -0.026 41.945 42.059 -0.147 0.000 0.901 111 L HN 0.179 nan 8.230 nan 0.000 0.433 112 L N -0.323 120.816 121.223 -0.141 0.000 2.056 112 L HA -0.130 4.212 4.340 0.002 0.000 0.207 112 L C 2.787 179.623 176.870 -0.057 0.000 1.078 112 L CA 1.046 55.818 54.840 -0.113 0.000 0.749 112 L CB -0.701 41.286 42.059 -0.120 0.000 0.901 112 L HN 0.318 nan 8.230 nan 0.000 0.433 113 A N -0.230 122.553 122.820 -0.062 0.000 2.019 113 A HA -0.105 4.216 4.320 0.002 0.000 0.219 113 A C 2.431 180.005 177.584 -0.018 0.000 1.164 113 A CA 1.671 53.681 52.037 -0.045 0.000 0.644 113 A CB -0.500 18.467 19.000 -0.056 0.000 0.805 113 A HN 0.410 nan 8.150 nan 0.000 0.449 114 A N -0.741 122.077 122.820 -0.004 0.000 1.903 114 A HA 0.084 4.406 4.320 0.002 0.000 0.213 114 A C 2.346 179.960 177.584 0.051 0.000 1.185 114 A CA 1.510 53.563 52.037 0.028 0.000 0.628 114 A CB -0.671 18.350 19.000 0.035 0.000 0.830 114 A HN 0.430 nan 8.150 nan 0.000 0.446 115 S N 0.093 115.835 115.700 0.070 0.000 2.399 115 S HA -0.085 4.386 4.470 0.002 0.000 0.231 115 S C 1.529 176.171 174.600 0.069 0.000 1.022 115 S CA 1.105 59.371 58.200 0.109 0.000 0.983 115 S CB -0.115 63.178 63.200 0.155 0.000 0.803 115 S HN 0.482 nan 8.310 nan 0.000 0.480 116 R N 0.467 120.985 120.500 0.031 0.000 2.543 116 R HA 0.266 4.607 4.340 0.002 0.000 0.323 116 R C -0.218 176.065 176.300 -0.028 0.000 1.002 116 R CA -0.048 56.054 56.100 0.004 0.000 1.106 116 R CB -0.513 29.775 30.300 -0.020 0.000 1.280 116 R HN 0.476 nan 8.270 nan 0.000 0.549 117 Q N 0.422 120.225 119.800 0.006 0.000 2.457 117 Q HA -0.197 4.144 4.340 0.002 0.000 0.283 117 Q C 0.660 176.612 176.000 -0.079 0.000 1.234 117 Q CA 0.449 56.263 55.803 0.018 0.000 0.877 117 Q CB -1.446 27.380 28.738 0.147 0.000 1.250 117 Q HN 0.119 nan 8.270 nan 0.000 0.481 118 I N 0.154 120.672 120.570 -0.086 0.000 2.113 118 I HA -0.199 3.973 4.170 0.002 0.000 0.242 118 I C -0.407 175.649 176.117 -0.101 0.000 1.064 118 I CA 1.666 62.896 61.300 -0.117 0.000 1.320 118 I CB -1.888 36.066 38.000 -0.077 0.000 1.028 118 I HN 0.248 nan 8.210 nan 0.000 0.406 119 P HA -0.142 nan 4.420 nan 0.000 0.214 119 P C 1.717 179.007 177.300 -0.017 0.000 1.163 119 P CA 2.237 65.320 63.100 -0.027 0.000 0.883 119 P CB -0.125 31.574 31.700 -0.002 0.000 0.788 120 A N -0.009 122.827 122.820 0.027 0.000 1.883 120 A HA -0.190 4.131 4.320 0.002 0.000 0.217 120 A C 2.357 179.990 177.584 0.082 0.000 1.186 120 A CA 2.485 54.590 52.037 0.114 0.000 0.624 120 A CB -1.698 17.455 19.000 0.255 0.000 0.822 120 A HN 0.204 nan 8.150 nan 0.000 0.444 121 A N -0.386 122.313 122.820 -0.201 0.000 1.877 121 A HA -0.225 4.096 4.320 0.002 0.000 0.216 121 A C 1.985 179.422 177.584 -0.246 0.000 1.186 121 A CA 1.931 53.624 52.037 -0.572 0.000 0.620 121 A CB -0.655 17.768 19.000 -0.961 0.000 0.822 121 A HN 0.592 nan 8.150 nan 0.000 0.443 122 D N 0.143 120.442 120.400 -0.168 0.000 2.144 122 D HA -0.104 4.537 4.640 0.002 0.000 0.199 122 D C 2.074 178.338 176.300 -0.060 0.000 0.984 122 D CA 1.420 55.360 54.000 -0.100 0.000 0.834 122 D CB -0.116 40.639 40.800 -0.075 0.000 0.955 122 D HN 0.333 nan 8.370 nan 0.000 0.465 123 A N 0.680 123.479 122.820 -0.034 0.000 1.902 123 A HA -0.170 4.151 4.320 0.002 0.000 0.217 123 A C 2.444 180.024 177.584 -0.007 0.000 1.181 123 A CA 2.470 54.498 52.037 -0.015 0.000 0.623 123 A CB -0.793 18.213 19.000 0.011 0.000 0.818 123 A HN 0.429 nan 8.150 nan 0.000 0.443 124 S N 0.140 115.862 115.700 0.036 0.000 2.368 124 S HA -0.102 4.369 4.470 0.002 0.000 0.225 124 S C 1.831 176.446 174.600 0.025 0.000 1.030 124 S CA 1.526 59.763 58.200 0.063 0.000 0.999 124 S CB -0.735 62.566 63.200 0.168 0.000 0.844 124 S HN 0.433 nan 8.310 nan 0.000 0.459 125 L N 0.183 121.406 121.223 -0.002 0.000 2.291 125 L HA 0.140 4.481 4.340 0.002 0.000 0.214 125 L C 2.969 179.805 176.870 -0.057 0.000 1.120 125 L CA 0.813 55.666 54.840 0.022 0.000 0.799 125 L CB -0.270 41.802 42.059 0.021 0.000 0.925 125 L HN 0.248 nan 8.230 nan 0.000 0.446 126 R N 0.528 120.961 120.500 -0.111 0.000 2.161 126 R HA -0.058 4.284 4.340 0.002 0.000 0.213 126 R C 1.464 177.511 176.300 -0.422 0.000 1.055 126 R CA 0.891 56.867 56.100 -0.206 0.000 0.996 126 R CB 0.043 30.277 30.300 -0.111 0.000 0.901 126 R HN 0.292 nan 8.270 nan 0.000 0.456 127 E N -0.556 119.485 120.200 -0.264 0.000 2.403 127 E HA 0.026 4.377 4.350 0.002 0.000 0.188 127 E C -0.874 175.660 176.600 -0.111 0.000 1.056 127 E CA 0.012 56.289 56.400 -0.206 0.000 0.892 127 E CB -0.035 29.641 29.700 -0.040 0.000 1.049 127 E HN 0.452 nan 8.360 nan 0.000 0.465 128 H N -0.798 118.316 119.070 0.072 0.000 2.692 128 H HA -0.162 4.395 4.556 0.002 0.000 0.316 128 H C -0.634 174.758 175.328 0.106 0.000 1.176 128 H CA 0.778 56.877 56.048 0.084 0.000 1.142 128 H CB -1.951 27.848 29.762 0.060 0.000 1.475 128 H HN 0.104 nan 8.280 nan 0.000 0.423 129 T N -2.077 112.590 114.554 0.188 0.000 2.865 129 T HA 0.299 4.650 4.350 0.002 0.000 0.294 129 T C -0.930 173.939 174.700 0.281 0.000 1.119 129 T CA -0.982 61.245 62.100 0.212 0.000 1.007 129 T CB 2.196 71.155 68.868 0.152 0.000 1.225 129 T HN 0.376 nan 8.240 nan 0.000 0.515 130 W N 2.049 123.394 121.300 0.076 0.000 2.443 130 W HA 0.480 5.141 4.660 0.001 0.000 0.303 130 W C -1.020 175.558 176.519 0.098 0.000 0.991 130 W CA -0.743 56.652 57.345 0.083 0.000 1.522 130 W CB 0.797 30.295 29.460 0.063 0.000 1.315 130 W HN 0.634 nan 8.180 nan 0.000 0.419 131 K N 3.630 124.016 120.400 -0.024 0.000 2.981 131 K HA 0.080 4.402 4.320 0.002 0.000 0.213 131 K C 1.691 178.281 176.600 -0.016 0.000 1.154 131 K CA -0.184 56.103 56.287 -0.000 0.000 1.111 131 K CB 0.296 32.804 32.500 0.014 0.000 0.975 131 K HN 0.384 nan 8.250 nan 0.000 0.462 132 R N 0.540 120.859 120.500 -0.301 0.000 2.103 132 R HA -0.180 4.161 4.340 0.002 0.000 0.242 132 R C 1.631 177.945 176.300 0.024 0.000 1.142 132 R CA 2.448 58.415 56.100 -0.221 0.000 0.960 132 R CB -0.161 29.861 30.300 -0.463 0.000 0.858 132 R HN 0.319 nan 8.270 nan 0.000 0.439 133 S N -0.642 115.062 115.700 0.006 0.000 2.469 133 S HA -0.040 4.431 4.470 0.002 0.000 0.238 133 S C 1.744 176.317 174.600 -0.045 0.000 0.998 133 S CA 1.286 59.494 58.200 0.013 0.000 0.957 133 S CB 0.066 63.282 63.200 0.027 0.000 0.764 133 S HN 0.361 nan 8.310 nan 0.000 0.514 134 S N 0.759 116.372 115.700 -0.145 0.000 2.414 134 S HA 0.301 4.772 4.470 0.002 0.000 0.227 134 S C 0.202 174.556 174.600 -0.410 0.000 1.022 134 S CA 0.163 58.152 58.200 -0.351 0.000 0.958 134 S CB -0.280 62.565 63.200 -0.590 0.000 0.797 134 S HN 0.568 nan 8.310 nan 0.000 0.493 135 F N 1.496 121.408 119.950 -0.063 0.000 2.371 135 F HA 0.560 5.088 4.527 0.002 0.000 0.329 135 F C 0.668 176.446 175.800 -0.037 0.000 1.107 135 F CA -0.489 57.478 58.000 -0.054 0.000 1.137 135 F CB 1.106 40.061 39.000 -0.076 0.000 1.214 135 F HN -0.148 nan 8.300 nan 0.000 0.536 136 S N 0.916 116.714 115.700 0.163 0.000 2.689 136 S HA 0.624 5.095 4.470 0.002 0.000 0.274 136 S C -0.328 174.325 174.600 0.089 0.000 1.176 136 S CA -0.567 57.690 58.200 0.095 0.000 1.014 136 S CB 0.469 63.697 63.200 0.048 0.000 1.071 136 S HN 0.969 nan 8.310 nan 0.000 0.478 137 G N 1.978 110.826 108.800 0.079 0.000 2.537 137 G HA2 0.658 4.619 3.960 0.002 0.000 0.297 137 G HA3 0.658 4.619 3.960 0.002 0.000 0.297 137 G C -0.815 174.131 174.900 0.077 0.000 1.310 137 G CA -0.467 44.677 45.100 0.074 0.000 1.027 137 G HN 0.646 nan 8.290 nan 0.000 0.505 138 T N 0.007 114.621 114.554 0.101 0.000 2.848 138 T HA 0.398 4.750 4.350 0.002 0.000 0.285 138 T C -0.604 174.212 174.700 0.192 0.000 0.995 138 T CA -0.410 61.771 62.100 0.135 0.000 0.970 138 T CB 2.024 70.973 68.868 0.135 0.000 0.976 138 T HN 0.552 nan 8.240 nan 0.000 0.441 139 E N 2.362 122.678 120.200 0.193 0.000 2.249 139 E HA 0.349 4.700 4.350 0.002 0.000 0.280 139 E C 0.395 177.158 176.600 0.271 0.000 1.016 139 E CA -0.419 56.101 56.400 0.200 0.000 0.830 139 E CB 0.707 30.512 29.700 0.175 0.000 1.081 139 E HN 0.570 nan 8.360 nan 0.000 0.395 140 I N 3.921 124.599 120.570 0.180 0.000 2.584 140 I HA -0.021 4.150 4.170 0.002 0.000 0.255 140 I C 0.958 177.184 176.117 0.183 0.000 1.145 140 I CA -0.077 61.260 61.300 0.062 0.000 1.462 140 I CB 0.028 37.879 38.000 -0.249 0.000 1.102 140 I HN 0.543 nan 8.210 nan 0.000 0.433 141 F N 2.406 122.429 119.950 0.121 0.000 2.612 141 F HA 0.199 4.727 4.527 0.002 0.000 0.389 141 F C 1.358 177.228 175.800 0.117 0.000 1.055 141 F CA 0.959 59.031 58.000 0.119 0.000 1.232 141 F CB 0.303 39.362 39.000 0.098 0.000 1.044 141 F HN 0.263 nan 8.300 nan 0.000 0.560 142 G N 3.616 112.030 108.800 -0.643 0.000 2.199 142 G HA2 -0.259 3.702 3.960 0.002 0.000 0.254 142 G HA3 -0.259 3.702 3.960 0.002 0.000 0.254 142 G C 0.420 175.264 174.900 -0.094 0.000 0.982 142 G CA 0.120 44.959 45.100 -0.434 0.000 0.632 142 G HN 0.592 nan 8.290 nan 0.000 0.529 143 K N 0.801 121.218 120.400 0.029 0.000 2.107 143 K HA 0.545 4.867 4.320 0.002 0.000 0.251 143 K C 0.214 176.910 176.600 0.159 0.000 1.012 143 K CA -0.040 56.333 56.287 0.144 0.000 0.920 143 K CB 0.515 33.230 32.500 0.359 0.000 1.033 143 K HN 0.125 nan 8.250 nan 0.000 0.478 144 T N 0.955 115.615 114.554 0.177 0.000 2.799 144 T HA 0.320 4.671 4.350 0.002 0.000 0.286 144 T C -0.326 174.515 174.700 0.236 0.000 0.973 144 T CA -0.582 61.646 62.100 0.213 0.000 1.035 144 T CB 0.952 69.924 68.868 0.173 0.000 0.932 144 T HN 0.111 nan 8.240 nan 0.000 0.469 145 V N 2.925 122.958 119.914 0.198 0.000 2.409 145 V HA 0.641 4.763 4.120 0.002 0.000 0.291 145 V C 0.682 176.853 176.094 0.128 0.000 1.020 145 V CA -0.884 61.526 62.300 0.184 0.000 0.848 145 V CB 1.738 33.616 31.823 0.092 0.000 0.990 145 V HN 1.022 nan 8.190 nan 0.000 0.430 146 G N 3.783 112.663 108.800 0.133 0.000 2.329 146 G HA2 0.516 4.478 3.960 0.002 0.000 0.309 146 G HA3 0.516 4.478 3.960 0.002 0.000 0.309 146 G C -0.672 174.299 174.900 0.118 0.000 1.110 146 G CA -0.284 44.883 45.100 0.112 0.000 0.923 146 G HN 0.535 nan 8.290 nan 0.000 0.430 147 V N 3.719 123.705 119.914 0.120 0.000 2.348 147 V HA 0.161 4.282 4.120 0.002 0.000 0.270 147 V C 0.143 176.344 176.094 0.178 0.000 1.037 147 V CA -0.579 61.816 62.300 0.159 0.000 0.872 147 V CB 1.443 33.335 31.823 0.115 0.000 1.002 147 V HN 0.474 nan 8.190 nan 0.000 0.464 148 V N 5.050 125.078 119.914 0.190 0.000 2.304 148 V HA 0.746 4.867 4.120 0.002 0.000 0.262 148 V C 0.721 176.937 176.094 0.203 0.000 1.061 148 V CA 0.408 62.840 62.300 0.220 0.000 0.872 148 V CB 0.340 32.263 31.823 0.167 0.000 1.077 148 V HN 1.222 nan 8.190 nan 0.000 0.480 149 G N 4.744 113.644 108.800 0.168 0.000 3.434 149 G HA2 -0.122 3.839 3.960 0.002 0.000 0.686 149 G HA3 -0.122 3.839 3.960 0.002 0.000 0.686 149 G C -0.706 174.254 174.900 0.101 0.000 1.099 149 G CA -0.803 44.367 45.100 0.116 0.000 0.931 149 G HN 0.599 nan 8.290 nan 0.000 0.520 150 L N 2.934 124.184 121.223 0.045 0.000 3.100 150 L HA 0.400 4.741 4.340 0.002 0.000 0.259 150 L C 1.540 178.409 176.870 -0.001 0.000 1.316 150 L CA 0.142 54.989 54.840 0.012 0.000 0.992 150 L CB -0.031 42.029 42.059 0.002 0.000 1.390 150 L HN 0.813 nan 8.230 nan 0.000 0.550 151 G N -0.523 108.279 108.800 0.003 0.000 2.525 151 G HA2 0.052 4.013 3.960 0.002 0.000 0.276 151 G HA3 0.052 4.013 3.960 0.002 0.000 0.276 151 G C 0.906 175.774 174.900 -0.053 0.000 1.388 151 G CA -0.290 44.798 45.100 -0.020 0.000 1.050 151 G HN 0.200 nan 8.290 nan 0.000 0.520 152 R N -0.889 119.573 120.500 -0.063 0.000 2.112 152 R HA -0.079 4.263 4.340 0.002 0.000 0.242 152 R C 2.568 178.794 176.300 -0.124 0.000 1.137 152 R CA 1.328 57.376 56.100 -0.087 0.000 0.944 152 R CB -0.978 29.270 30.300 -0.087 0.000 0.857 152 R HN 0.604 nan 8.270 nan 0.000 0.435 153 I N -0.983 119.512 120.570 -0.125 0.000 2.252 153 I HA -0.145 4.026 4.170 0.002 0.000 0.245 153 I C 2.286 178.195 176.117 -0.347 0.000 1.102 153 I CA 1.503 62.694 61.300 -0.181 0.000 1.385 153 I CB -0.653 37.291 38.000 -0.093 0.000 1.064 153 I HN 0.296 nan 8.210 nan 0.000 0.414 154 G N -0.076 108.497 108.800 -0.378 0.000 2.462 154 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 154 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 154 G C 1.590 176.341 174.900 -0.247 0.000 1.121 154 G CA 0.443 45.258 45.100 -0.474 0.000 0.758 154 G HN 0.412 nan 8.290 nan 0.000 0.559 155 Q N -0.567 119.137 119.800 -0.161 0.000 2.123 155 Q HA 0.124 4.465 4.340 0.002 0.000 0.199 155 Q C 2.621 178.561 176.000 -0.101 0.000 0.966 155 Q CA 0.617 56.358 55.803 -0.104 0.000 0.845 155 Q CB -0.144 28.549 28.738 -0.075 0.000 0.907 155 Q HN 0.451 nan 8.270 nan 0.000 0.439 156 L N -0.336 120.813 121.223 -0.125 0.000 2.109 156 L HA -0.144 4.197 4.340 0.002 0.000 0.207 156 L C 2.283 179.108 176.870 -0.075 0.000 1.086 156 L CA 0.553 55.343 54.840 -0.083 0.000 0.760 156 L CB -0.300 41.700 42.059 -0.099 0.000 0.910 156 L HN 0.079 nan 8.230 nan 0.000 0.437 157 V N 0.136 119.964 119.914 -0.145 0.000 2.343 157 V HA -0.292 3.829 4.120 0.002 0.000 0.247 157 V C 2.763 178.816 176.094 -0.069 0.000 1.051 157 V CA 1.822 64.052 62.300 -0.117 0.000 1.036 157 V CB -0.808 30.884 31.823 -0.218 0.000 0.654 157 V HN 0.478 nan 8.190 nan 0.000 0.451 158 A N -1.070 121.702 122.820 -0.080 0.000 1.908 158 A HA -0.314 4.007 4.320 0.002 0.000 0.218 158 A C 2.179 179.746 177.584 -0.028 0.000 1.181 158 A CA 2.120 54.127 52.037 -0.051 0.000 0.627 158 A CB -0.513 18.452 19.000 -0.058 0.000 0.818 158 A HN 0.607 nan 8.150 nan 0.000 0.445 159 Q N -0.915 118.872 119.800 -0.022 0.000 2.084 159 Q HA -0.170 4.171 4.340 0.002 0.000 0.202 159 Q C 2.396 178.419 176.000 0.038 0.000 0.978 159 Q CA 1.726 57.530 55.803 0.002 0.000 0.844 159 Q CB -0.094 28.647 28.738 0.005 0.000 0.898 159 Q HN 0.656 nan 8.270 nan 0.000 0.426 160 R N -0.268 120.265 120.500 0.055 0.000 2.075 160 R HA -0.097 4.244 4.340 0.002 0.000 0.232 160 R C 2.086 178.526 176.300 0.234 0.000 1.126 160 R CA 0.962 57.140 56.100 0.130 0.000 0.963 160 R CB -0.242 30.131 30.300 0.122 0.000 0.858 160 R HN 0.172 nan 8.270 nan 0.000 0.435 161 I N 0.778 121.412 120.570 0.107 0.000 2.493 161 I HA -0.107 4.065 4.170 0.002 0.000 0.254 161 I C 1.920 178.125 176.117 0.148 0.000 1.160 161 I CA 0.836 62.175 61.300 0.065 0.000 1.445 161 I CB -0.275 37.667 38.000 -0.098 0.000 1.086 161 I HN 0.136 nan 8.210 nan 0.000 0.433 162 A N 0.109 122.982 122.820 0.087 0.000 2.015 162 A HA 0.030 4.351 4.320 0.002 0.000 0.219 162 A C 2.394 180.029 177.584 0.085 0.000 1.163 162 A CA 1.307 53.375 52.037 0.051 0.000 0.646 162 A CB -0.928 18.072 19.000 -0.000 0.000 0.806 162 A HN 0.435 nan 8.150 nan 0.000 0.448 163 A N -1.614 121.272 122.820 0.110 0.000 2.168 163 A HA 0.193 4.514 4.320 0.002 0.000 0.215 163 A C 1.506 179.086 177.584 -0.007 0.000 1.152 163 A CA 0.550 52.606 52.037 0.031 0.000 0.716 163 A CB -0.694 18.287 19.000 -0.031 0.000 0.794 163 A HN 0.473 nan 8.150 nan 0.000 0.465 164 F N -0.533 119.429 119.950 0.020 0.000 2.811 164 F HA 0.278 4.806 4.527 0.002 0.000 0.301 164 F C 1.830 177.702 175.800 0.120 0.000 1.151 164 F CA 0.872 58.908 58.000 0.059 0.000 1.412 164 F CB 0.194 39.191 39.000 -0.005 0.000 1.113 164 F HN 0.367 nan 8.300 nan 0.000 0.579 165 G N 0.471 109.373 108.800 0.170 0.000 2.132 165 G HA2 -0.123 3.839 3.960 0.002 0.000 0.234 165 G HA3 -0.123 3.839 3.960 0.002 0.000 0.234 165 G C 0.139 174.905 174.900 -0.224 0.000 0.989 165 G CA -0.161 44.905 45.100 -0.056 0.000 0.676 165 G HN 0.607 nan 8.290 nan 0.000 0.522 166 A N -0.544 122.254 122.820 -0.036 0.000 2.304 166 A HA 0.709 5.030 4.320 0.002 0.000 0.301 166 A C -0.224 177.377 177.584 0.028 0.000 1.132 166 A CA -0.515 51.511 52.037 -0.019 0.000 0.819 166 A CB 0.766 19.762 19.000 -0.007 0.000 1.094 166 A HN 1.242 nan 8.150 nan 0.000 0.492 167 Y N 1.953 122.222 120.300 -0.051 0.000 2.316 167 Y HA 0.458 5.010 4.550 0.002 0.000 0.331 167 Y C -0.316 175.588 175.900 0.006 0.000 1.083 167 Y CA 0.059 58.144 58.100 -0.025 0.000 1.206 167 Y CB 1.035 39.480 38.460 -0.026 0.000 1.195 167 Y HN 0.396 nan 8.280 nan 0.000 0.497 168 V N 7.845 127.498 119.914 -0.436 0.000 2.398 168 V HA 0.492 4.613 4.120 0.002 0.000 0.286 168 V C -0.488 175.436 176.094 -0.283 0.000 1.026 168 V CA -0.677 61.478 62.300 -0.243 0.000 0.868 168 V CB 1.056 32.778 31.823 -0.168 0.000 0.982 168 V HN 0.690 nan 8.190 nan 0.000 0.443 169 V N 2.151 122.035 119.914 -0.050 0.000 2.960 169 V HA 1.093 5.214 4.120 0.002 0.000 0.315 169 V C -0.173 175.952 176.094 0.051 0.000 1.087 169 V CA -0.682 61.631 62.300 0.021 0.000 0.982 169 V CB 1.842 33.743 31.823 0.129 0.000 1.039 169 V HN 1.179 nan 8.190 nan 0.000 0.437 170 A N 2.195 125.057 122.820 0.070 0.000 2.572 170 A HA 0.808 5.130 4.320 0.002 0.000 0.295 170 A C -1.753 175.926 177.584 0.157 0.000 1.072 170 A CA -0.658 51.438 52.037 0.098 0.000 0.691 170 A CB 1.796 20.825 19.000 0.048 0.000 1.291 170 A HN 1.750 nan 8.150 nan 0.000 0.404 171 Y N 1.535 121.864 120.300 0.048 0.000 2.328 171 Y HA 0.641 5.193 4.550 0.002 0.000 0.336 171 Y C -1.088 174.851 175.900 0.064 0.000 0.960 171 Y CA -0.392 57.737 58.100 0.048 0.000 1.134 171 Y CB 1.478 39.965 38.460 0.046 0.000 1.166 171 Y HN 0.639 nan 8.280 nan 0.000 0.464 172 D N 8.271 128.343 120.400 -0.547 0.000 2.300 172 D HA 0.180 4.821 4.640 0.002 0.000 0.218 172 D C -2.520 173.566 176.300 -0.357 0.000 1.326 172 D CA -1.317 52.400 54.000 -0.471 0.000 0.942 172 D CB 1.919 42.640 40.800 -0.131 0.000 1.495 172 D HN 0.330 nan 8.370 nan 0.000 0.545 173 P HA -0.003 nan 4.420 nan 0.000 0.236 173 P C 0.310 177.306 177.300 -0.507 0.000 1.172 173 P CA 0.765 63.623 63.100 -0.403 0.000 0.759 173 P CB -0.112 31.332 31.700 -0.428 0.000 0.843 174 Y N -1.582 118.676 120.300 -0.071 0.000 2.681 174 Y HA 0.259 4.810 4.550 0.002 0.000 0.267 174 Y C 0.448 176.431 175.900 0.139 0.000 1.166 174 Y CA -0.367 57.772 58.100 0.064 0.000 1.209 174 Y CB 0.567 39.114 38.460 0.144 0.000 1.161 174 Y HN -0.308 nan 8.280 nan 0.000 0.534 175 V N 0.501 120.481 119.914 0.111 0.000 2.656 175 V HA 0.323 4.444 4.120 0.002 0.000 0.307 175 V C 0.011 176.127 176.094 0.036 0.000 1.051 175 V CA -1.373 60.978 62.300 0.086 0.000 0.893 175 V CB 1.995 33.842 31.823 0.039 0.000 0.999 175 V HN 0.298 nan 8.190 nan 0.000 0.426 176 S N 4.611 120.341 115.700 0.049 0.000 2.572 176 S HA 0.225 4.696 4.470 0.002 0.000 0.279 176 S C -1.733 172.870 174.600 0.005 0.000 1.341 176 S CA -0.646 57.566 58.200 0.020 0.000 1.043 176 S CB 0.909 64.127 63.200 0.030 0.000 0.887 176 S HN 0.570 nan 8.310 nan 0.000 0.516 177 P HA -0.084 nan 4.420 nan 0.000 0.216 177 P C 1.480 178.782 177.300 0.003 0.000 1.150 177 P CA 1.870 64.969 63.100 -0.002 0.000 0.843 177 P CB -0.181 31.517 31.700 -0.003 0.000 0.787 178 A N -0.505 122.317 122.820 0.005 0.000 1.929 178 A HA -0.164 4.157 4.320 0.002 0.000 0.216 178 A C 2.384 179.970 177.584 0.005 0.000 1.176 178 A CA 1.574 53.614 52.037 0.005 0.000 0.628 178 A CB -0.944 18.060 19.000 0.007 0.000 0.816 178 A HN -0.005 nan 8.150 nan 0.000 0.444 179 R N 0.438 120.943 120.500 0.007 0.000 2.073 179 R HA -0.027 4.314 4.340 0.002 0.000 0.234 179 R C 2.133 178.432 176.300 -0.002 0.000 1.134 179 R CA 2.047 58.149 56.100 0.005 0.000 0.952 179 R CB -0.918 29.389 30.300 0.011 0.000 0.850 179 R HN 0.357 nan 8.270 nan 0.000 0.433 180 A N 0.316 123.134 122.820 -0.002 0.000 1.908 180 A HA -0.062 4.259 4.320 0.002 0.000 0.218 180 A C 2.400 179.976 177.584 -0.013 0.000 1.181 180 A CA 1.910 53.942 52.037 -0.009 0.000 0.627 180 A CB -1.133 17.863 19.000 -0.007 0.000 0.818 180 A HN 0.516 nan 8.150 nan 0.000 0.445 181 A N -0.882 121.935 122.820 -0.006 0.000 1.933 181 A HA -0.209 4.112 4.320 0.002 0.000 0.218 181 A C 2.099 179.679 177.584 -0.007 0.000 1.175 181 A CA 1.711 53.745 52.037 -0.004 0.000 0.628 181 A CB -0.564 18.438 19.000 0.003 0.000 0.814 181 A HN 0.640 nan 8.150 nan 0.000 0.444 182 Q N -0.503 119.294 119.800 -0.005 0.000 2.135 182 Q HA -0.070 4.271 4.340 0.002 0.000 0.204 182 Q C 1.772 177.765 176.000 -0.011 0.000 0.981 182 Q CA 1.382 57.181 55.803 -0.006 0.000 0.856 182 Q CB -0.311 28.425 28.738 -0.004 0.000 0.902 182 Q HN 0.688 nan 8.270 nan 0.000 0.425 183 L N -0.891 120.322 121.223 -0.017 0.000 2.551 183 L HA 0.055 4.397 4.340 0.002 0.000 0.228 183 L C 1.111 177.959 176.870 -0.037 0.000 1.153 183 L CA 0.417 55.242 54.840 -0.026 0.000 0.851 183 L CB -0.272 41.769 42.059 -0.030 0.000 0.959 183 L HN 0.416 nan 8.230 nan 0.000 0.451 184 G N 1.130 109.909 108.800 -0.035 0.000 2.198 184 G HA2 -0.281 3.681 3.960 0.002 0.000 0.257 184 G HA3 -0.281 3.681 3.960 0.002 0.000 0.257 184 G C -0.007 174.837 174.900 -0.094 0.000 1.042 184 G CA -0.020 45.051 45.100 -0.049 0.000 0.791 184 G HN 0.321 nan 8.290 nan 0.000 0.502 185 I N -0.105 120.417 120.570 -0.080 0.000 2.474 185 I HA 0.361 4.532 4.170 0.002 0.000 0.294 185 I C 0.393 176.471 176.117 -0.064 0.000 1.005 185 I CA -0.867 60.369 61.300 -0.107 0.000 1.113 185 I CB 1.941 39.895 38.000 -0.077 0.000 1.289 185 I HN 0.210 nan 8.210 nan 0.000 0.436 186 E N 6.764 126.922 120.200 -0.072 0.000 2.152 186 E HA 0.307 4.658 4.350 0.002 0.000 0.285 186 E C -1.089 175.533 176.600 0.035 0.000 1.043 186 E CA -0.526 55.884 56.400 0.017 0.000 0.839 186 E CB 0.846 30.607 29.700 0.100 0.000 1.069 186 E HN 0.500 nan 8.360 nan 0.000 0.399 187 L N 6.076 127.321 121.223 0.037 0.000 2.367 187 L HA 0.298 4.639 4.340 0.002 0.000 0.275 187 L C -0.212 176.703 176.870 0.075 0.000 1.129 187 L CA -0.167 54.701 54.840 0.047 0.000 0.839 187 L CB 0.423 42.495 42.059 0.022 0.000 1.133 187 L HN 0.541 nan 8.230 nan 0.000 0.453 188 L N 2.121 123.414 121.223 0.116 0.000 2.371 188 L HA 0.428 4.769 4.340 0.002 0.000 0.262 188 L C 0.255 177.251 176.870 0.210 0.000 1.006 188 L CA -0.743 54.176 54.840 0.132 0.000 0.818 188 L CB 2.364 44.495 42.059 0.120 0.000 1.354 188 L HN 0.642 nan 8.230 nan 0.000 0.415 189 S N 0.634 116.425 115.700 0.152 0.000 2.566 189 S HA 0.013 4.484 4.470 0.002 0.000 0.280 189 S C 0.871 175.488 174.600 0.028 0.000 1.343 189 S CA -0.401 57.884 58.200 0.142 0.000 1.036 189 S CB 0.757 63.990 63.200 0.055 0.000 0.866 189 S HN 0.582 nan 8.310 nan 0.000 0.526 190 L N 1.306 122.360 121.223 -0.281 0.000 2.042 190 L HA -0.060 4.281 4.340 0.002 0.000 0.210 190 L C 1.892 178.637 176.870 -0.208 0.000 1.076 190 L CA 2.066 56.591 54.840 -0.526 0.000 0.749 190 L CB -1.190 40.316 42.059 -0.921 0.000 0.893 190 L HN 0.796 nan 8.230 nan 0.000 0.432 191 D N -0.214 120.105 120.400 -0.136 0.000 2.123 191 D HA -0.188 4.453 4.640 0.002 0.000 0.196 191 D C 1.788 178.067 176.300 -0.035 0.000 0.992 191 D CA 1.543 55.500 54.000 -0.071 0.000 0.833 191 D CB -0.183 40.590 40.800 -0.046 0.000 0.954 191 D HN 0.421 nan 8.370 nan 0.000 0.455 192 D N 0.152 120.543 120.400 -0.015 0.000 2.144 192 D HA -0.083 4.558 4.640 0.002 0.000 0.200 192 D C 2.213 178.527 176.300 0.022 0.000 0.978 192 D CA 0.128 54.135 54.000 0.011 0.000 0.833 192 D CB -0.321 40.497 40.800 0.030 0.000 0.961 192 D HN 0.200 nan 8.370 nan 0.000 0.470 193 L N 0.125 121.361 121.223 0.022 0.000 1.994 193 L HA -0.189 4.152 4.340 0.002 0.000 0.208 193 L C 1.981 178.862 176.870 0.018 0.000 1.071 193 L CA 0.998 55.862 54.840 0.040 0.000 0.745 193 L CB -0.160 41.934 42.059 0.059 0.000 0.892 193 L HN -0.034 nan 8.230 nan 0.000 0.431 194 L N 0.451 121.667 121.223 -0.012 0.000 2.021 194 L HA -0.252 4.090 4.340 0.002 0.000 0.215 194 L C 2.852 179.723 176.870 0.001 0.000 1.074 194 L CA 2.186 57.020 54.840 -0.012 0.000 0.760 194 L CB -1.753 40.289 42.059 -0.029 0.000 0.889 194 L HN 0.414 nan 8.230 nan 0.000 0.433 195 A N -1.402 121.419 122.820 0.002 0.000 1.972 195 A HA -0.175 4.147 4.320 0.002 0.000 0.219 195 A C 2.439 180.026 177.584 0.005 0.000 1.169 195 A CA 1.422 53.462 52.037 0.006 0.000 0.635 195 A CB -0.305 18.697 19.000 0.003 0.000 0.810 195 A HN 0.383 nan 8.150 nan 0.000 0.446 196 R N -1.108 119.401 120.500 0.014 0.000 2.237 196 R HA 0.266 4.607 4.340 0.002 0.000 0.195 196 R C 0.646 176.961 176.300 0.025 0.000 0.956 196 R CA 0.611 56.723 56.100 0.021 0.000 1.029 196 R CB -0.029 30.297 30.300 0.043 0.000 0.972 196 R HN 0.414 nan 8.270 nan 0.000 0.493 197 A N 1.637 124.472 122.820 0.025 0.000 2.362 197 A HA 0.113 4.434 4.320 0.002 0.000 0.276 197 A C 0.260 177.823 177.584 -0.035 0.000 1.153 197 A CA -0.355 51.703 52.037 0.035 0.000 0.813 197 A CB 0.434 19.464 19.000 0.050 0.000 1.081 197 A HN 0.107 nan 8.150 nan 0.000 0.507 198 D N 1.270 121.641 120.400 -0.049 0.000 2.213 198 D HA 0.060 4.702 4.640 0.002 0.000 0.205 198 D C -0.463 175.498 176.300 -0.564 0.000 0.961 198 D CA 1.406 55.240 54.000 -0.278 0.000 0.853 198 D CB 0.138 40.789 40.800 -0.249 0.000 0.967 198 D HN 0.540 nan 8.370 nan 0.000 0.496 199 F N 0.230 120.173 119.950 -0.012 0.000 2.551 199 F HA 0.485 5.013 4.527 0.002 0.000 0.316 199 F C 0.039 175.834 175.800 -0.009 0.000 1.089 199 F CA -0.930 57.058 58.000 -0.020 0.000 0.915 199 F CB 1.979 40.960 39.000 -0.030 0.000 1.186 199 F HN -0.363 nan 8.300 nan 0.000 0.456 200 I N 1.667 122.326 120.570 0.149 0.000 2.447 200 I HA 0.338 4.510 4.170 0.002 0.000 0.287 200 I C -0.626 175.533 176.117 0.069 0.000 1.023 200 I CA -0.484 60.869 61.300 0.089 0.000 1.083 200 I CB 2.018 40.038 38.000 0.035 0.000 1.245 200 I HN 0.457 nan 8.210 nan 0.000 0.434 201 S N 5.752 121.494 115.700 0.071 0.000 2.498 201 S HA 0.533 5.004 4.470 0.002 0.000 0.317 201 S C -0.565 173.960 174.600 -0.125 0.000 1.090 201 S CA -0.641 57.559 58.200 -0.000 0.000 1.089 201 S CB 1.240 64.546 63.200 0.177 0.000 0.997 201 S HN 0.437 nan 8.310 nan 0.000 0.470 202 V N 4.522 124.249 119.914 -0.312 0.000 2.465 202 V HA 0.638 4.759 4.120 0.002 0.000 0.279 202 V C -0.383 175.337 176.094 -0.624 0.000 1.045 202 V CA -0.038 62.090 62.300 -0.286 0.000 0.938 202 V CB 0.983 32.723 31.823 -0.139 0.000 0.986 202 V HN 1.005 nan 8.190 nan 0.000 0.467 203 H N 5.379 124.465 119.070 0.027 0.000 2.767 203 H HA 0.404 4.961 4.556 0.002 0.000 0.235 203 H C -0.348 174.991 175.328 0.018 0.000 1.256 203 H CA -0.301 55.756 56.048 0.014 0.000 0.957 203 H CB 0.649 30.416 29.762 0.009 0.000 2.117 203 H HN 0.571 nan 8.280 nan 0.000 0.602 204 L N 2.832 124.095 121.223 0.067 0.000 2.418 204 L HA 0.296 4.637 4.340 0.002 0.000 0.265 204 L C -1.717 175.171 176.870 0.030 0.000 1.143 204 L CA -1.696 53.178 54.840 0.056 0.000 0.809 204 L CB 0.640 42.733 42.059 0.056 0.000 1.124 204 L HN 0.058 nan 8.230 nan 0.000 0.456 205 P HA 0.111 nan 4.420 nan 0.000 0.276 205 P C -1.329 175.975 177.300 0.006 0.000 1.252 205 P CA -0.671 62.435 63.100 0.010 0.000 0.802 205 P CB 0.918 32.617 31.700 -0.001 0.000 1.035 206 K N 0.865 121.268 120.400 0.005 0.000 2.262 206 K HA 0.396 4.718 4.320 0.002 0.000 0.282 206 K C -0.252 176.351 176.600 0.005 0.000 1.066 206 K CA -0.141 56.149 56.287 0.005 0.000 0.901 206 K CB 0.122 32.625 32.500 0.005 0.000 1.089 206 K HN 0.627 nan 8.250 nan 0.000 0.476 207 T N 0.516 115.073 114.554 0.006 0.000 2.864 207 T HA 0.386 4.737 4.350 0.002 0.000 0.299 207 T C -2.272 172.435 174.700 0.011 0.000 1.166 207 T CA -1.555 60.548 62.100 0.004 0.000 1.007 207 T CB 1.689 70.552 68.868 -0.008 0.000 1.219 207 T HN 0.294 nan 8.240 nan 0.000 0.506 208 P HA 0.065 nan 4.420 nan 0.000 0.230 208 P C 0.804 178.118 177.300 0.022 0.000 1.158 208 P CA 0.751 63.860 63.100 0.015 0.000 0.769 208 P CB 0.135 31.842 31.700 0.013 0.000 0.807 209 E N -0.968 119.248 120.200 0.026 0.000 2.338 209 E HA -0.064 4.287 4.350 0.002 0.000 0.197 209 E C 1.707 178.342 176.600 0.058 0.000 1.007 209 E CA 1.275 57.702 56.400 0.046 0.000 0.849 209 E CB -0.408 29.321 29.700 0.049 0.000 0.774 209 E HN 0.186 nan 8.360 nan 0.000 0.506 210 T N -0.706 113.874 114.554 0.043 0.000 3.026 210 T HA 0.305 4.657 4.350 0.002 0.000 0.245 210 T C 0.466 175.185 174.700 0.031 0.000 1.004 210 T CA 0.265 62.394 62.100 0.048 0.000 1.069 210 T CB 0.203 69.093 68.868 0.036 0.000 1.005 210 T HN 0.163 nan 8.240 nan 0.000 0.472 211 A N 0.937 123.769 122.820 0.020 0.000 2.584 211 A HA 0.429 4.750 4.320 0.002 0.000 0.239 211 A C 1.569 179.158 177.584 0.009 0.000 1.043 211 A CA 0.707 52.751 52.037 0.011 0.000 0.756 211 A CB -0.930 18.076 19.000 0.010 0.000 0.963 211 A HN 0.993 nan 8.150 nan 0.000 0.511 212 G N 1.735 110.536 108.800 0.002 0.000 2.296 212 G HA2 -0.281 3.680 3.960 0.002 0.000 0.282 212 G HA3 -0.281 3.680 3.960 0.002 0.000 0.282 212 G C 0.774 175.674 174.900 -0.000 0.000 1.014 212 G CA 0.470 45.569 45.100 -0.002 0.000 0.812 212 G HN 1.014 nan 8.290 nan 0.000 0.508 213 L N -1.274 119.952 121.223 0.006 0.000 2.021 213 L HA -0.089 4.252 4.340 0.002 0.000 0.215 213 L C 1.521 178.384 176.870 -0.012 0.000 1.074 213 L CA 1.738 56.583 54.840 0.008 0.000 0.760 213 L CB -0.110 41.966 42.059 0.029 0.000 0.889 213 L HN 0.381 nan 8.230 nan 0.000 0.433 214 I N 0.798 121.360 120.570 -0.014 0.000 2.276 214 I HA 0.039 4.211 4.170 0.002 0.000 0.290 214 I C -0.023 176.084 176.117 -0.016 0.000 1.109 214 I CA -0.334 60.953 61.300 -0.021 0.000 1.229 214 I CB 0.401 38.388 38.000 -0.021 0.000 1.452 214 I HN 0.205 nan 8.210 nan 0.000 0.497 215 D N 4.216 124.606 120.400 -0.017 0.000 2.567 215 D HA 0.186 4.827 4.640 0.002 0.000 0.275 215 D C 1.164 177.455 176.300 -0.016 0.000 1.195 215 D CA -0.767 53.224 54.000 -0.015 0.000 1.087 215 D CB 0.514 41.305 40.800 -0.014 0.000 1.165 215 D HN 0.171 nan 8.370 nan 0.000 0.609 216 K N -0.301 120.089 120.400 -0.017 0.000 2.063 216 K HA -0.234 4.088 4.320 0.002 0.000 0.208 216 K C 1.595 178.178 176.600 -0.028 0.000 1.048 216 K CA 1.557 57.831 56.287 -0.021 0.000 0.928 216 K CB -0.103 32.383 32.500 -0.022 0.000 0.713 216 K HN 0.432 nan 8.250 nan 0.000 0.442 217 E N 0.181 120.364 120.200 -0.028 0.000 2.085 217 E HA -0.223 4.129 4.350 0.002 0.000 0.194 217 E C 1.984 178.565 176.600 -0.033 0.000 0.994 217 E CA 1.466 57.846 56.400 -0.032 0.000 0.801 217 E CB -0.184 29.498 29.700 -0.029 0.000 0.743 217 E HN 0.479 nan 8.360 nan 0.000 0.453 218 A N 1.002 123.804 122.820 -0.029 0.000 1.854 218 A HA -0.138 4.183 4.320 0.002 0.000 0.214 218 A C 2.075 179.652 177.584 -0.011 0.000 1.192 218 A CA 0.869 52.889 52.037 -0.029 0.000 0.611 218 A CB -0.546 18.433 19.000 -0.036 0.000 0.832 218 A HN 0.118 nan 8.150 nan 0.000 0.442 219 L N -0.164 121.059 121.223 -0.000 0.000 2.089 219 L HA -0.230 4.111 4.340 0.002 0.000 0.213 219 L C 2.799 179.693 176.870 0.040 0.000 1.079 219 L CA 1.974 56.834 54.840 0.034 0.000 0.758 219 L CB -1.315 40.762 42.059 0.031 0.000 0.891 219 L HN 0.455 nan 8.230 nan 0.000 0.433 220 A N -1.610 121.188 122.820 -0.037 0.000 2.167 220 A HA -0.118 4.203 4.320 0.002 0.000 0.214 220 A C 2.163 179.704 177.584 -0.072 0.000 1.151 220 A CA 0.807 52.768 52.037 -0.127 0.000 0.735 220 A CB -0.293 18.633 19.000 -0.123 0.000 0.802 220 A HN 0.419 nan 8.150 nan 0.000 0.467 221 K N 0.288 120.683 120.400 -0.007 0.000 2.379 221 K HA 0.030 4.351 4.320 0.002 0.000 0.194 221 K C 0.686 177.322 176.600 0.059 0.000 1.031 221 K CA 0.675 56.967 56.287 0.009 0.000 1.037 221 K CB 0.028 32.521 32.500 -0.012 0.000 0.824 221 K HN 0.626 nan 8.250 nan 0.000 0.516 222 T N -0.267 114.360 114.554 0.123 0.000 2.766 222 T HA 0.113 4.464 4.350 0.002 0.000 0.295 222 T C 0.261 175.036 174.700 0.125 0.000 1.024 222 T CA -0.679 61.481 62.100 0.100 0.000 1.018 222 T CB 0.945 69.852 68.868 0.065 0.000 1.002 222 T HN -0.121 nan 8.240 nan 0.000 0.532 223 K N 2.518 122.911 120.400 -0.012 0.000 2.412 223 K HA 0.160 4.481 4.320 0.002 0.000 0.281 223 K C -2.218 174.222 176.600 -0.267 0.000 1.027 223 K CA -1.499 54.746 56.287 -0.070 0.000 0.989 223 K CB 0.307 32.749 32.500 -0.095 0.000 0.935 223 K HN 0.521 nan 8.250 nan 0.000 0.475 224 P HA -0.089 nan 4.420 nan 0.000 0.262 224 P C 0.566 177.688 177.300 -0.295 0.000 1.182 224 P CA 0.685 63.545 63.100 -0.401 0.000 0.761 224 P CB 0.513 32.176 31.700 -0.062 0.000 0.795 225 G N 1.718 110.323 108.800 -0.326 0.000 2.175 225 G HA2 -0.229 3.732 3.960 0.002 0.000 0.244 225 G HA3 -0.229 3.732 3.960 0.002 0.000 0.244 225 G C 0.085 174.816 174.900 -0.282 0.000 0.982 225 G CA 0.029 44.986 45.100 -0.237 0.000 0.641 225 G HN 0.630 nan 8.290 nan 0.000 0.527 226 V N -0.403 119.320 119.914 -0.318 0.000 2.814 226 V HA 0.492 4.613 4.120 0.002 0.000 0.307 226 V C 0.877 176.820 176.094 -0.251 0.000 1.089 226 V CA -0.155 61.964 62.300 -0.302 0.000 1.212 226 V CB 0.884 32.578 31.823 -0.214 0.000 0.912 226 V HN 0.327 nan 8.190 nan 0.000 0.497 227 I N 4.691 125.090 120.570 -0.285 0.000 2.404 227 I HA 0.555 4.726 4.170 0.002 0.000 0.293 227 I C -0.046 176.065 176.117 -0.010 0.000 0.992 227 I CA -0.057 61.181 61.300 -0.104 0.000 1.149 227 I CB 1.555 39.554 38.000 -0.001 0.000 1.315 227 I HN 0.531 nan 8.210 nan 0.000 0.446 228 I N 6.459 127.033 120.570 0.006 0.000 2.466 228 I HA 0.492 4.663 4.170 0.002 0.000 0.289 228 I C -0.956 175.164 176.117 0.006 0.000 1.026 228 I CA -0.887 60.419 61.300 0.010 0.000 1.078 228 I CB 1.988 39.980 38.000 -0.013 0.000 1.249 228 I HN 0.122 nan 8.210 nan 0.000 0.429 229 V N 5.689 125.601 119.914 -0.005 0.000 2.604 229 V HA 0.377 4.498 4.120 0.002 0.000 0.305 229 V C -0.298 175.737 176.094 -0.099 0.000 1.043 229 V CA -0.650 61.627 62.300 -0.039 0.000 0.888 229 V CB 2.086 33.892 31.823 -0.028 0.000 0.995 229 V HN 0.797 nan 8.190 nan 0.000 0.429 230 N N 3.078 121.709 118.700 -0.115 0.000 2.576 230 N HA 0.547 5.289 4.740 0.002 0.000 0.269 230 N C -0.116 175.296 175.510 -0.163 0.000 1.058 230 N CA -0.200 52.751 53.050 -0.165 0.000 0.860 230 N CB 1.516 39.910 38.487 -0.155 0.000 1.249 230 N HN 0.784 nan 8.380 nan 0.000 0.525 231 A N 2.615 125.349 122.820 -0.145 0.000 2.637 231 A HA 0.542 4.863 4.320 0.002 0.000 0.293 231 A C 0.857 178.384 177.584 -0.093 0.000 1.216 231 A CA -0.029 51.963 52.037 -0.075 0.000 0.956 231 A CB 0.128 19.175 19.000 0.078 0.000 1.174 231 A HN 0.655 nan 8.150 nan 0.000 0.525 232 A N 0.278 123.011 122.820 -0.146 0.000 2.179 232 A HA 0.596 4.917 4.320 0.002 0.000 0.224 232 A C 0.749 178.265 177.584 -0.114 0.000 1.759 232 A CA 0.382 52.359 52.037 -0.099 0.000 0.688 232 A CB 0.298 19.231 19.000 -0.113 0.000 1.342 232 A HN 0.273 nan 8.150 nan 0.000 0.543 233 R N -0.719 119.709 120.500 -0.120 0.000 2.673 233 R HA 0.465 4.806 4.340 0.002 0.000 0.281 233 R C -0.172 176.055 176.300 -0.122 0.000 0.991 233 R CA -0.283 55.754 56.100 -0.105 0.000 0.896 233 R CB 0.572 30.844 30.300 -0.047 0.000 1.201 233 R HN 0.482 nan 8.270 nan 0.000 0.457 234 G N -0.192 108.539 108.800 -0.114 0.000 2.265 234 G HA2 0.308 4.270 3.960 0.002 0.000 0.240 234 G HA3 0.308 4.270 3.960 0.002 0.000 0.240 234 G C 0.970 175.840 174.900 -0.050 0.000 1.270 234 G CA 0.850 45.895 45.100 -0.091 0.000 0.901 234 G HN 0.831 nan 8.290 nan 0.000 0.507 235 G N 1.398 110.167 108.800 -0.051 0.000 2.217 235 G HA2 -0.255 3.707 3.960 0.002 0.000 0.246 235 G HA3 -0.255 3.707 3.960 0.002 0.000 0.246 235 G C 1.231 176.114 174.900 -0.028 0.000 0.990 235 G CA 0.529 45.614 45.100 -0.024 0.000 0.627 235 G HN 0.643 nan 8.290 nan 0.000 0.522 236 L N 0.575 121.773 121.223 -0.043 0.000 2.081 236 L HA 0.090 4.432 4.340 0.002 0.000 0.212 236 L C 1.745 178.597 176.870 -0.030 0.000 1.080 236 L CA 1.339 56.160 54.840 -0.032 0.000 0.754 236 L CB -0.909 41.124 42.059 -0.043 0.000 0.893 236 L HN 0.271 nan 8.230 nan 0.000 0.433 237 V N 0.749 120.638 119.914 -0.041 0.000 2.370 237 V HA 0.136 4.257 4.120 0.002 0.000 0.279 237 V C 0.212 176.292 176.094 -0.022 0.000 1.029 237 V CA -1.253 61.028 62.300 -0.031 0.000 0.870 237 V CB 1.434 33.234 31.823 -0.038 0.000 0.984 237 V HN 0.163 nan 8.190 nan 0.000 0.451 238 D N 4.116 124.507 120.400 -0.014 0.000 2.426 238 D HA -0.023 4.618 4.640 0.002 0.000 0.261 238 D C 1.138 177.435 176.300 -0.006 0.000 1.245 238 D CA 0.342 54.336 54.000 -0.009 0.000 0.917 238 D CB 0.893 41.687 40.800 -0.009 0.000 1.123 238 D HN 0.680 nan 8.370 nan 0.000 0.508 239 E N 2.616 122.815 120.200 -0.002 0.000 2.058 239 E HA -0.235 4.116 4.350 0.002 0.000 0.194 239 E C 1.866 178.463 176.600 -0.005 0.000 0.997 239 E CA 1.479 57.881 56.400 0.003 0.000 0.801 239 E CB 0.048 29.756 29.700 0.014 0.000 0.746 239 E HN 0.625 nan 8.360 nan 0.000 0.450 240 A N 1.158 123.972 122.820 -0.011 0.000 1.929 240 A HA -0.015 4.307 4.320 0.002 0.000 0.216 240 A C 2.344 179.923 177.584 -0.008 0.000 1.176 240 A CA 1.419 53.448 52.037 -0.014 0.000 0.628 240 A CB -0.481 18.509 19.000 -0.016 0.000 0.816 240 A HN 0.287 nan 8.150 nan 0.000 0.444 241 A N -0.342 122.474 122.820 -0.006 0.000 1.933 241 A HA -0.017 4.304 4.320 0.002 0.000 0.218 241 A C 2.162 179.748 177.584 0.004 0.000 1.175 241 A CA 1.357 53.392 52.037 -0.004 0.000 0.628 241 A CB -0.508 18.488 19.000 -0.007 0.000 0.814 241 A HN 0.483 nan 8.150 nan 0.000 0.444 242 L N -0.628 120.599 121.223 0.006 0.000 1.976 242 L HA -0.203 4.139 4.340 0.002 0.000 0.209 242 L C 3.012 179.892 176.870 0.017 0.000 1.071 242 L CA 1.754 56.602 54.840 0.013 0.000 0.746 242 L CB -0.775 41.291 42.059 0.012 0.000 0.890 242 L HN 0.446 nan 8.230 nan 0.000 0.432 243 A N -0.245 122.582 122.820 0.012 0.000 1.927 243 A HA -0.302 4.019 4.320 0.002 0.000 0.220 243 A C 1.854 179.445 177.584 0.011 0.000 1.185 243 A CA 2.245 54.288 52.037 0.011 0.000 0.639 243 A CB -0.746 18.254 19.000 -0.000 0.000 0.820 243 A HN 0.517 nan 8.150 nan 0.000 0.451 244 D N -0.229 120.175 120.400 0.006 0.000 2.104 244 D HA -0.082 4.560 4.640 0.002 0.000 0.194 244 D C 2.254 178.563 176.300 0.016 0.000 0.994 244 D CA 1.715 55.718 54.000 0.005 0.000 0.830 244 D CB -0.437 40.361 40.800 -0.003 0.000 0.959 244 D HN 0.447 nan 8.370 nan 0.000 0.452 245 A N 0.720 123.556 122.820 0.027 0.000 1.968 245 A HA -0.092 4.229 4.320 0.002 0.000 0.217 245 A C 2.243 179.862 177.584 0.058 0.000 1.169 245 A CA 0.569 52.641 52.037 0.058 0.000 0.638 245 A CB -0.324 18.724 19.000 0.080 0.000 0.812 245 A HN 0.112 nan 8.150 nan 0.000 0.446 246 I N -0.057 120.534 120.570 0.036 0.000 2.133 246 I HA -0.181 3.990 4.170 0.002 0.000 0.238 246 I C 2.583 178.714 176.117 0.024 0.000 1.074 246 I CA 2.056 63.372 61.300 0.026 0.000 1.342 246 I CB -1.722 36.294 38.000 0.026 0.000 1.053 246 I HN 0.247 nan 8.210 nan 0.000 0.404 247 T N 0.879 115.446 114.554 0.021 0.000 2.652 247 T HA -0.156 4.195 4.350 0.002 0.000 0.267 247 T C 1.840 176.550 174.700 0.017 0.000 1.039 247 T CA 1.700 63.810 62.100 0.016 0.000 1.153 247 T CB -0.849 68.026 68.868 0.011 0.000 0.863 247 T HN 0.552 nan 8.240 nan 0.000 0.428 248 G N -0.036 108.777 108.800 0.021 0.000 2.501 248 G HA2 0.139 4.100 3.960 0.002 0.000 0.220 248 G HA3 0.139 4.100 3.960 0.002 0.000 0.220 248 G C 1.281 176.203 174.900 0.037 0.000 1.114 248 G CA 1.046 46.160 45.100 0.024 0.000 0.757 248 G HN 0.910 nan 8.290 nan 0.000 0.559 249 G N -0.962 107.863 108.800 0.041 0.000 2.234 249 G HA2 -0.349 3.612 3.960 0.002 0.000 0.235 249 G HA3 -0.349 3.612 3.960 0.002 0.000 0.235 249 G C 0.907 175.833 174.900 0.042 0.000 0.997 249 G CA 1.153 46.272 45.100 0.032 0.000 0.623 249 G HN 0.691 nan 8.290 nan 0.000 0.514 250 H N 0.831 119.888 119.070 -0.022 0.000 2.352 250 H HA 0.231 4.788 4.556 0.002 0.000 0.299 250 H C 1.654 176.960 175.328 -0.036 0.000 1.097 250 H CA 2.342 58.373 56.048 -0.028 0.000 1.311 250 H CB 0.007 29.753 29.762 -0.027 0.000 1.377 250 H HN 1.004 nan 8.280 nan 0.000 0.504 251 V N 0.569 120.438 119.914 -0.074 0.000 2.394 251 V HA 0.297 4.418 4.120 0.002 0.000 0.282 251 V C 1.236 177.281 176.094 -0.081 0.000 1.031 251 V CA -0.492 61.725 62.300 -0.137 0.000 0.881 251 V CB 1.612 33.396 31.823 -0.064 0.000 0.982 251 V HN 0.441 nan 8.190 nan 0.000 0.451 252 R N 4.720 125.155 120.500 -0.108 0.000 2.075 252 R HA 0.382 4.723 4.340 0.002 0.000 0.232 252 R C 0.673 176.956 176.300 -0.028 0.000 1.126 252 R CA 1.586 57.647 56.100 -0.066 0.000 0.963 252 R CB 0.049 30.299 30.300 -0.083 0.000 0.858 252 R HN 1.089 nan 8.270 nan 0.000 0.435 253 A N -1.300 121.503 122.820 -0.028 0.000 2.610 253 A HA 0.764 5.086 4.320 0.002 0.000 0.291 253 A C -1.700 175.889 177.584 0.009 0.000 1.086 253 A CA -0.430 51.610 52.037 0.006 0.000 0.677 253 A CB 1.452 20.466 19.000 0.023 0.000 1.278 253 A HN 0.337 nan 8.150 nan 0.000 0.414 254 A N -0.744 122.092 122.820 0.026 0.000 2.594 254 A HA 0.936 5.258 4.320 0.002 0.000 0.291 254 A C -0.252 177.351 177.584 0.031 0.000 1.105 254 A CA -0.145 51.907 52.037 0.024 0.000 0.694 254 A CB 1.514 20.527 19.000 0.021 0.000 1.291 254 A HN 2.374 nan 8.150 nan 0.000 0.410 255 G N 0.133 108.942 108.800 0.014 0.000 2.687 255 G HA2 0.603 4.565 3.960 0.002 0.000 0.301 255 G HA3 0.603 4.565 3.960 0.002 0.000 0.301 255 G C -1.428 173.462 174.900 -0.016 0.000 1.416 255 G CA -0.361 44.744 45.100 0.008 0.000 1.005 255 G HN 0.618 nan 8.290 nan 0.000 0.509 256 L N 1.779 123.001 121.223 -0.003 0.000 2.408 256 L HA 0.399 4.740 4.340 0.002 0.000 0.268 256 L C -0.361 176.436 176.870 -0.121 0.000 0.986 256 L CA -0.609 54.161 54.840 -0.116 0.000 0.820 256 L CB 2.664 44.628 42.059 -0.158 0.000 1.303 256 L HN 0.698 nan 8.230 nan 0.000 0.411 257 D N 1.219 121.489 120.400 -0.216 0.000 2.474 257 D HA 0.152 4.794 4.640 0.002 0.000 0.213 257 D C -0.296 175.773 176.300 -0.386 0.000 1.120 257 D CA 0.323 54.254 54.000 -0.114 0.000 0.836 257 D CB 0.920 41.749 40.800 0.049 0.000 1.019 257 D HN 0.215 nan 8.370 nan 0.000 0.507 258 V N -1.788 117.654 119.914 -0.788 0.000 2.925 258 V HA 0.743 4.865 4.120 0.002 0.000 0.311 258 V C -1.031 174.459 176.094 -1.005 0.000 1.104 258 V CA -1.015 60.846 62.300 -0.731 0.000 0.954 258 V CB 1.627 33.150 31.823 -0.501 0.000 1.022 258 V HN -0.124 nan 8.190 nan 0.000 0.427 259 F N 0.833 120.777 119.950 -0.011 0.000 2.576 259 F HA 0.833 5.361 4.527 0.003 0.000 0.313 259 F C 1.351 177.154 175.800 0.004 0.000 1.078 259 F CA -0.351 57.658 58.000 0.014 0.000 0.921 259 F CB 2.052 41.087 39.000 0.057 0.000 1.232 259 F HN 0.748 nan 8.300 nan 0.000 0.459 260 A N 0.542 123.454 122.820 0.154 0.000 1.940 260 A HA -0.109 4.213 4.320 0.002 0.000 0.221 260 A C 1.079 178.717 177.584 0.090 0.000 1.190 260 A CA 2.494 54.579 52.037 0.080 0.000 0.647 260 A CB -0.706 18.327 19.000 0.055 0.000 0.821 260 A HN 0.707 nan 8.150 nan 0.000 0.457 261 T N -0.275 114.351 114.554 0.120 0.000 2.921 261 T HA 0.510 4.861 4.350 0.002 0.000 0.297 261 T C -1.213 173.570 174.700 0.138 0.000 1.013 261 T CA -0.335 61.827 62.100 0.104 0.000 0.990 261 T CB 1.219 70.123 68.868 0.060 0.000 1.023 261 T HN 0.515 nan 8.240 nan 0.000 0.447 262 E N 3.966 124.255 120.200 0.148 0.000 2.288 262 E HA 0.670 5.021 4.350 0.002 0.000 0.268 262 E C -2.614 174.047 176.600 0.102 0.000 0.885 262 E CA -2.202 54.290 56.400 0.153 0.000 0.767 262 E CB 0.540 30.398 29.700 0.263 0.000 1.220 262 E HN 0.435 nan 8.360 nan 0.000 0.427 263 P HA 0.088 nan 4.420 nan 0.000 0.267 263 P C -1.147 176.175 177.300 0.036 0.000 1.205 263 P CA -0.373 62.764 63.100 0.061 0.000 0.765 263 P CB 0.448 32.170 31.700 0.037 0.000 0.828 264 C N 3.026 122.325 119.300 -0.000 0.000 2.301 264 C HA 0.473 4.934 4.460 0.002 0.000 0.323 264 C C 1.256 176.262 174.990 0.028 0.000 1.265 264 C CA 0.277 59.257 59.018 -0.064 0.000 1.503 264 C CB -0.252 27.334 27.740 -0.256 0.000 2.195 264 C HN 0.843 nan 8.230 nan 0.000 0.477 265 T N -0.530 114.072 114.554 0.079 0.000 3.058 265 T HA 0.195 4.546 4.350 0.002 0.000 0.278 265 T C 0.207 175.034 174.700 0.212 0.000 0.974 265 T CA 0.239 62.447 62.100 0.179 0.000 0.893 265 T CB -0.059 68.847 68.868 0.063 0.000 1.138 265 T HN 0.712 nan 8.240 nan 0.000 0.529 266 D N 0.368 120.778 120.400 0.017 0.000 2.540 266 D HA 0.297 4.938 4.640 0.002 0.000 0.229 266 D C 0.291 176.432 176.300 -0.266 0.000 1.250 266 D CA -0.409 53.555 54.000 -0.060 0.000 0.817 266 D CB -0.060 40.716 40.800 -0.041 0.000 1.060 266 D HN 0.226 nan 8.370 nan 0.000 0.508 267 S N 1.408 116.679 115.700 -0.716 0.000 2.552 267 S HA 0.119 4.590 4.470 0.002 0.000 0.289 267 S C -1.377 172.896 174.600 -0.546 0.000 1.304 267 S CA -0.820 56.885 58.200 -0.826 0.000 1.063 267 S CB 1.102 63.452 63.200 -1.417 0.000 0.848 267 S HN -0.102 nan 8.310 nan 0.000 0.499 268 P HA -0.056 nan 4.420 nan 0.000 0.218 268 P C 1.363 178.614 177.300 -0.081 0.000 1.149 268 P CA 0.954 63.979 63.100 -0.125 0.000 0.817 268 P CB -0.005 31.646 31.700 -0.081 0.000 0.785 269 L N -2.157 118.993 121.223 -0.122 0.000 2.129 269 L HA -0.197 4.145 4.340 0.002 0.000 0.212 269 L C 1.982 178.969 176.870 0.194 0.000 1.087 269 L CA 1.230 56.083 54.840 0.022 0.000 0.757 269 L CB -1.035 41.061 42.059 0.062 0.000 0.896 269 L HN -0.040 nan 8.230 nan 0.000 0.434 270 F N -0.093 119.871 119.950 0.025 0.000 2.641 270 F HA -0.091 4.437 4.527 0.002 0.000 0.298 270 F C 2.184 177.991 175.800 0.011 0.000 1.146 270 F CA 0.423 58.429 58.000 0.011 0.000 1.464 270 F CB -0.625 38.360 39.000 -0.025 0.000 1.101 270 F HN 0.117 nan 8.300 nan 0.000 0.585 271 E N 0.165 120.468 120.200 0.171 0.000 2.474 271 E HA 0.190 4.542 4.350 0.002 0.000 0.195 271 E C 0.288 176.936 176.600 0.080 0.000 1.039 271 E CA 0.211 56.672 56.400 0.100 0.000 0.881 271 E CB 0.143 29.878 29.700 0.058 0.000 0.970 271 E HN 0.278 nan 8.360 nan 0.000 0.486 272 L N 0.329 121.611 121.223 0.098 0.000 2.305 272 L HA 0.407 4.748 4.340 0.002 0.000 0.284 272 L C 1.225 178.144 176.870 0.082 0.000 1.013 272 L CA -0.580 54.305 54.840 0.076 0.000 0.819 272 L CB 1.759 43.859 42.059 0.068 0.000 1.227 272 L HN -0.113 nan 8.230 nan 0.000 0.417 273 A N 3.063 125.920 122.820 0.062 0.000 1.898 273 A HA -0.140 4.182 4.320 0.002 0.000 0.216 273 A C 1.893 179.518 177.584 0.068 0.000 1.181 273 A CA 1.056 53.132 52.037 0.064 0.000 0.620 273 A CB -0.282 18.750 19.000 0.053 0.000 0.819 273 A HN 0.846 nan 8.150 nan 0.000 0.442 274 Q N 0.130 119.964 119.800 0.057 0.000 2.557 274 Q HA 0.023 4.365 4.340 0.002 0.000 0.217 274 Q C -0.423 175.611 176.000 0.057 0.000 0.978 274 Q CA 0.666 56.501 55.803 0.053 0.000 0.950 274 Q CB -0.772 27.987 28.738 0.035 0.000 0.991 274 Q HN 0.309 nan 8.270 nan 0.000 0.533 275 V N 1.856 121.814 119.914 0.074 0.000 2.326 275 V HA 0.241 4.363 4.120 0.002 0.000 0.281 275 V C -0.128 176.028 176.094 0.102 0.000 1.015 275 V CA -0.886 61.467 62.300 0.089 0.000 0.823 275 V CB 1.716 33.609 31.823 0.117 0.000 1.009 275 V HN -0.009 nan 8.190 nan 0.000 0.436 276 V N 6.366 126.328 119.914 0.079 0.000 2.530 276 V HA 0.450 4.571 4.120 0.002 0.000 0.282 276 V C 0.134 176.294 176.094 0.110 0.000 1.048 276 V CA -0.169 62.174 62.300 0.072 0.000 0.997 276 V CB 1.552 33.395 31.823 0.033 0.000 0.987 276 V HN 0.743 nan 8.190 nan 0.000 0.477 277 V N 2.160 122.152 119.914 0.131 0.000 2.789 277 V HA 1.005 5.126 4.120 0.002 0.000 0.311 277 V C -0.350 175.849 176.094 0.175 0.000 1.073 277 V CA -0.389 62.047 62.300 0.226 0.000 0.921 277 V CB 2.068 34.093 31.823 0.337 0.000 1.009 277 V HN 0.930 nan 8.190 nan 0.000 0.426 278 T N 0.748 115.463 114.554 0.268 0.000 2.933 278 T HA 0.651 5.002 4.350 0.002 0.000 0.305 278 T C -3.091 171.788 174.700 0.299 0.000 1.092 278 T CA -1.833 60.404 62.100 0.227 0.000 1.008 278 T CB 2.232 71.268 68.868 0.280 0.000 1.102 278 T HN 0.683 nan 8.240 nan 0.000 0.469 279 P HA 0.161 nan 4.420 nan 0.000 0.237 279 P C 0.054 177.526 177.300 0.287 0.000 1.788 279 P CA 0.285 63.537 63.100 0.253 0.000 1.061 279 P CB -1.303 30.458 31.700 0.102 0.000 1.967 280 H N 0.993 120.168 119.070 0.176 0.000 2.702 280 H HA -0.153 4.404 4.556 0.002 0.000 0.328 280 H C -0.261 175.043 175.328 -0.040 0.000 1.111 280 H CA -0.518 55.564 56.048 0.057 0.000 1.109 280 H CB -0.500 29.315 29.762 0.089 0.000 1.606 280 H HN 0.138 nan 8.280 nan 0.000 0.399 281 L N 1.755 122.984 121.223 0.010 0.000 2.640 281 L HA 0.228 4.569 4.340 0.002 0.000 0.230 281 L C 2.529 179.187 176.870 -0.354 0.000 1.123 281 L CA 1.499 56.234 54.840 -0.174 0.000 0.900 281 L CB -0.231 41.712 42.059 -0.194 0.000 1.146 281 L HN 0.647 nan 8.230 nan 0.000 0.484 282 G N 0.070 108.665 108.800 -0.342 0.000 2.507 282 G HA2 -0.287 3.674 3.960 0.002 0.000 0.221 282 G HA3 -0.287 3.674 3.960 0.002 0.000 0.221 282 G C 1.288 176.146 174.900 -0.068 0.000 1.119 282 G CA 0.973 45.932 45.100 -0.235 0.000 0.751 282 G HN 0.465 nan 8.290 nan 0.000 0.574 283 A N -0.351 122.454 122.820 -0.026 0.000 2.470 283 A HA 0.553 4.874 4.320 0.002 0.000 0.251 283 A C 1.259 178.829 177.584 -0.023 0.000 1.245 283 A CA 0.176 52.209 52.037 -0.007 0.000 0.932 283 A CB 0.413 19.418 19.000 0.008 0.000 1.037 283 A HN 0.101 nan 8.150 nan 0.000 0.522 284 S N 1.602 117.273 115.700 -0.047 0.000 3.900 284 S HA 0.331 4.803 4.470 0.002 0.000 0.248 284 S C -0.183 174.410 174.600 -0.012 0.000 1.310 284 S CA 0.351 58.531 58.200 -0.035 0.000 0.915 284 S CB -0.457 62.717 63.200 -0.043 0.000 1.588 284 S HN 0.382 nan 8.310 nan 0.000 0.472 285 T N 1.206 115.760 114.554 -0.000 0.000 2.993 285 T HA 0.470 4.822 4.350 0.002 0.000 0.312 285 T C 1.079 175.787 174.700 0.013 0.000 1.115 285 T CA -0.383 61.725 62.100 0.013 0.000 1.027 285 T CB 1.543 70.427 68.868 0.027 0.000 1.116 285 T HN 0.313 nan 8.240 nan 0.000 0.464 286 A N 2.687 125.514 122.820 0.013 0.000 1.908 286 A HA -0.089 4.233 4.320 0.002 0.000 0.218 286 A C 1.875 179.467 177.584 0.015 0.000 1.181 286 A CA 1.992 54.036 52.037 0.012 0.000 0.627 286 A CB -0.508 18.498 19.000 0.010 0.000 0.818 286 A HN 0.843 nan 8.150 nan 0.000 0.445 287 E N 0.023 120.234 120.200 0.017 0.000 2.077 287 E HA -0.052 4.299 4.350 0.002 0.000 0.193 287 E C 2.201 178.818 176.600 0.027 0.000 0.989 287 E CA 1.420 57.832 56.400 0.020 0.000 0.800 287 E CB -0.436 29.275 29.700 0.018 0.000 0.746 287 E HN 0.606 nan 8.360 nan 0.000 0.452 288 A N 0.578 123.416 122.820 0.031 0.000 1.929 288 A HA -0.167 4.154 4.320 0.002 0.000 0.216 288 A C 1.994 179.591 177.584 0.020 0.000 1.176 288 A CA 1.036 53.093 52.037 0.033 0.000 0.628 288 A CB -0.206 18.813 19.000 0.033 0.000 0.816 288 A HN 0.071 nan 8.150 nan 0.000 0.444 289 Q N 0.273 120.082 119.800 0.014 0.000 2.083 289 Q HA -0.129 4.212 4.340 0.002 0.000 0.198 289 Q C 1.467 177.476 176.000 0.015 0.000 0.969 289 Q CA 1.515 57.324 55.803 0.011 0.000 0.838 289 Q CB -0.596 28.146 28.738 0.007 0.000 0.900 289 Q HN 0.607 nan 8.270 nan 0.000 0.436 290 D N 0.510 120.920 120.400 0.017 0.000 2.123 290 D HA -0.171 4.470 4.640 0.002 0.000 0.196 290 D C 1.968 178.279 176.300 0.018 0.000 0.992 290 D CA 1.155 55.166 54.000 0.019 0.000 0.833 290 D CB -0.146 40.664 40.800 0.017 0.000 0.954 290 D HN 0.139 nan 8.370 nan 0.000 0.455 291 R N 0.425 120.937 120.500 0.019 0.000 2.075 291 R HA -0.012 4.329 4.340 0.002 0.000 0.232 291 R C 2.157 178.464 176.300 0.013 0.000 1.126 291 R CA 1.278 57.390 56.100 0.020 0.000 0.963 291 R CB -0.222 30.098 30.300 0.033 0.000 0.858 291 R HN 0.101 nan 8.270 nan 0.000 0.435 292 A N 0.026 122.852 122.820 0.011 0.000 1.927 292 A HA -0.158 4.163 4.320 0.002 0.000 0.220 292 A C 2.287 179.869 177.584 -0.004 0.000 1.185 292 A CA 2.008 54.046 52.037 0.001 0.000 0.639 292 A CB -1.365 17.636 19.000 0.000 0.000 0.820 292 A HN 0.586 nan 8.150 nan 0.000 0.451 293 G N -1.022 107.780 108.800 0.004 0.000 2.394 293 G HA2 -0.129 3.832 3.960 0.002 0.000 0.214 293 G HA3 -0.129 3.832 3.960 0.002 0.000 0.214 293 G C 1.780 176.681 174.900 0.001 0.000 1.176 293 G CA 1.995 47.098 45.100 0.005 0.000 0.786 293 G HN 0.743 nan 8.290 nan 0.000 0.533 294 T N -1.071 113.487 114.554 0.006 0.000 2.867 294 T HA -0.067 4.284 4.350 0.002 0.000 0.268 294 T C 1.783 176.478 174.700 -0.007 0.000 1.057 294 T CA 1.702 63.804 62.100 0.003 0.000 1.136 294 T CB -0.232 68.641 68.868 0.008 0.000 0.874 294 T HN 0.098 nan 8.240 nan 0.000 0.466 295 D N 1.235 121.629 120.400 -0.009 0.000 2.088 295 D HA -0.056 4.586 4.640 0.002 0.000 0.191 295 D C 2.305 178.585 176.300 -0.035 0.000 0.992 295 D CA 1.029 55.018 54.000 -0.019 0.000 0.831 295 D CB -0.888 39.902 40.800 -0.017 0.000 0.973 295 D HN 0.233 nan 8.370 nan 0.000 0.447 296 V N 0.967 120.859 119.914 -0.038 0.000 2.568 296 V HA -0.255 3.867 4.120 0.002 0.000 0.253 296 V C 2.275 178.336 176.094 -0.054 0.000 1.072 296 V CA 1.832 64.101 62.300 -0.052 0.000 1.084 296 V CB -0.590 31.204 31.823 -0.049 0.000 0.676 296 V HN 0.230 nan 8.190 nan 0.000 0.469 297 A N -0.519 122.277 122.820 -0.040 0.000 1.969 297 A HA -0.222 4.099 4.320 0.002 0.000 0.218 297 A C 2.145 179.703 177.584 -0.042 0.000 1.169 297 A CA 1.908 53.921 52.037 -0.040 0.000 0.635 297 A CB -0.363 18.623 19.000 -0.023 0.000 0.810 297 A HN 0.604 nan 8.150 nan 0.000 0.445 298 E N 0.162 120.339 120.200 -0.039 0.000 2.076 298 E HA -0.067 4.285 4.350 0.002 0.000 0.190 298 E C 2.130 178.695 176.600 -0.059 0.000 0.979 298 E CA 1.440 57.816 56.400 -0.039 0.000 0.807 298 E CB -0.288 29.395 29.700 -0.029 0.000 0.761 298 E HN 0.440 nan 8.360 nan 0.000 0.454 299 S N -0.362 115.292 115.700 -0.077 0.000 2.374 299 S HA -0.172 4.299 4.470 0.002 0.000 0.227 299 S C 1.974 176.512 174.600 -0.104 0.000 1.037 299 S CA 1.349 59.483 58.200 -0.110 0.000 1.024 299 S CB -0.380 62.744 63.200 -0.127 0.000 0.861 299 S HN 0.178 nan 8.310 nan 0.000 0.456 300 V N 1.460 121.323 119.914 -0.086 0.000 2.515 300 V HA -0.107 4.014 4.120 0.002 0.000 0.250 300 V C 2.469 178.524 176.094 -0.066 0.000 1.058 300 V CA 1.500 63.752 62.300 -0.080 0.000 1.064 300 V CB -0.595 31.180 31.823 -0.079 0.000 0.675 300 V HN 0.364 nan 8.190 nan 0.000 0.461 301 R N -0.036 120.431 120.500 -0.056 0.000 2.061 301 R HA -0.107 4.235 4.340 0.002 0.000 0.230 301 R C 2.354 178.630 176.300 -0.040 0.000 1.140 301 R CA 1.615 57.691 56.100 -0.041 0.000 0.940 301 R CB -0.328 29.953 30.300 -0.031 0.000 0.839 301 R HN 0.422 nan 8.270 nan 0.000 0.429 302 L N 0.320 121.515 121.223 -0.047 0.000 2.013 302 L HA -0.211 4.130 4.340 0.002 0.000 0.212 302 L C 2.726 179.567 176.870 -0.047 0.000 1.073 302 L CA 1.585 56.399 54.840 -0.044 0.000 0.753 302 L CB -0.662 41.357 42.059 -0.066 0.000 0.890 302 L HN 0.327 nan 8.230 nan 0.000 0.432 303 A N -0.264 122.513 122.820 -0.072 0.000 1.972 303 A HA -0.120 4.201 4.320 0.002 0.000 0.219 303 A C 2.238 179.796 177.584 -0.044 0.000 1.169 303 A CA 1.384 53.380 52.037 -0.069 0.000 0.635 303 A CB -0.555 18.390 19.000 -0.091 0.000 0.810 303 A HN 0.405 nan 8.150 nan 0.000 0.446 304 L N -1.344 119.855 121.223 -0.040 0.000 2.341 304 L HA 0.035 4.376 4.340 0.002 0.000 0.214 304 L C 2.388 179.247 176.870 -0.018 0.000 1.115 304 L CA 0.636 55.458 54.840 -0.030 0.000 0.820 304 L CB -0.177 41.862 42.059 -0.035 0.000 0.944 304 L HN 0.399 nan 8.230 nan 0.000 0.452 305 A N -0.217 122.594 122.820 -0.015 0.000 2.327 305 A HA 0.318 4.640 4.320 0.002 0.000 0.228 305 A C 1.727 179.315 177.584 0.006 0.000 1.275 305 A CA 0.531 52.566 52.037 -0.003 0.000 0.875 305 A CB -0.707 18.293 19.000 -0.001 0.000 0.925 305 A HN 0.469 nan 8.150 nan 0.000 0.493 306 G N -0.378 108.425 108.800 0.005 0.000 2.200 306 G HA2 -0.335 3.626 3.960 0.002 0.000 0.267 306 G HA3 -0.335 3.626 3.960 0.002 0.000 0.267 306 G C 0.237 175.160 174.900 0.039 0.000 0.993 306 G CA 1.005 46.116 45.100 0.018 0.000 0.701 306 G HN 0.730 nan 8.290 nan 0.000 0.524 307 E N -1.228 118.995 120.200 0.037 0.000 2.385 307 E HA 0.617 4.968 4.350 0.002 0.000 0.254 307 E C 0.049 176.714 176.600 0.109 0.000 1.228 307 E CA -1.105 55.339 56.400 0.074 0.000 0.956 307 E CB 0.355 30.087 29.700 0.055 0.000 1.116 307 E HN 0.226 nan 8.360 nan 0.000 0.507 308 F N 1.341 121.292 119.950 0.003 0.000 2.394 308 F HA 0.358 4.887 4.527 0.002 0.000 0.340 308 F C -0.955 174.839 175.800 -0.010 0.000 1.105 308 F CA -0.696 57.310 58.000 0.011 0.000 1.124 308 F CB 0.949 39.972 39.000 0.038 0.000 1.145 308 F HN 0.047 nan 8.300 nan 0.000 0.505 309 V N 9.236 128.553 119.914 -0.996 0.000 2.275 309 V HA 0.218 4.339 4.120 0.002 0.000 0.272 309 V C -1.815 173.600 176.094 -1.131 0.000 1.028 309 V CA -1.231 60.583 62.300 -0.810 0.000 0.810 309 V CB 0.896 32.427 31.823 -0.486 0.000 1.043 309 V HN 0.705 nan 8.190 nan 0.000 0.453 310 P HA -0.091 nan 4.420 nan 0.000 0.216 310 P C 0.714 177.816 177.300 -0.331 0.000 1.150 310 P CA 1.161 64.018 63.100 -0.404 0.000 0.837 310 P CB 0.266 31.919 31.700 -0.079 0.000 0.786 311 D N -1.012 119.177 120.400 -0.353 0.000 2.319 311 D HA 0.172 4.813 4.640 0.002 0.000 0.230 311 D C 0.707 176.775 176.300 -0.387 0.000 1.094 311 D CA 0.050 53.895 54.000 -0.258 0.000 0.856 311 D CB -0.498 40.205 40.800 -0.163 0.000 0.915 311 D HN 0.088 nan 8.370 nan 0.000 0.517 312 A N 0.103 122.487 122.820 -0.726 0.000 2.466 312 A HA 0.165 4.486 4.320 0.002 0.000 0.238 312 A C 1.309 178.564 177.584 -0.548 0.000 1.074 312 A CA -0.056 51.548 52.037 -0.722 0.000 0.774 312 A CB 0.803 19.212 19.000 -0.984 0.000 1.015 312 A HN 0.084 nan 8.150 nan 0.000 0.498 313 V N 1.660 121.419 119.914 -0.259 0.000 3.612 313 V HA 0.117 4.239 4.120 0.002 0.000 0.268 313 V C 0.475 176.577 176.094 0.014 0.000 1.365 313 V CA 1.137 63.394 62.300 -0.072 0.000 1.044 313 V CB -0.568 31.223 31.823 -0.053 0.000 0.820 313 V HN 1.065 nan 8.190 nan 0.000 0.444 314 N N -0.953 117.733 118.700 -0.022 0.000 3.418 314 N HA 0.361 5.102 4.740 0.002 0.000 0.316 314 N C -1.384 174.154 175.510 0.047 0.000 1.601 314 N CA -0.515 52.559 53.050 0.040 0.000 0.805 314 N CB 2.054 40.550 38.487 0.014 0.000 1.873 314 N HN -0.210 nan 8.380 nan 0.000 0.615 315 V N -0.853 119.098 119.914 0.062 0.000 2.448 315 V HA 0.865 4.987 4.120 0.002 0.000 0.295 315 V C -0.036 176.080 176.094 0.036 0.000 1.025 315 V CA -0.233 62.110 62.300 0.072 0.000 0.859 315 V CB 0.904 32.790 31.823 0.105 0.000 0.988 315 V HN 1.012 nan 8.190 nan 0.000 0.431 316 G N 2.312 111.126 108.800 0.023 0.000 2.734 316 G HA2 0.702 4.663 3.960 0.002 0.000 0.293 316 G HA3 0.702 4.663 3.960 0.002 0.000 0.293 316 G C -0.196 174.711 174.900 0.012 0.000 1.422 316 G CA 0.509 45.616 45.100 0.011 0.000 1.177 316 G HN 1.409 nan 8.290 nan 0.000 0.565 317 G N 0.715 109.526 108.800 0.017 0.000 2.418 317 G HA2 0.327 4.289 3.960 0.002 0.000 0.206 317 G HA3 0.327 4.289 3.960 0.002 0.000 0.206 317 G C 1.216 176.133 174.900 0.028 0.000 1.202 317 G CA 0.492 45.603 45.100 0.017 0.000 1.061 317 G HN 1.815 nan 8.290 nan 0.000 0.563 318 G N 0.174 108.991 108.800 0.029 0.000 2.509 318 G HA2 0.248 4.209 3.960 0.002 0.000 0.218 318 G HA3 0.248 4.209 3.960 0.002 0.000 0.218 318 G C 2.110 177.039 174.900 0.049 0.000 1.124 318 G CA 2.888 48.009 45.100 0.035 0.000 0.776 318 G HN 2.098 nan 8.290 nan 0.000 0.547 319 V N -1.504 118.445 119.914 0.059 0.000 2.402 319 V HA -0.166 3.956 4.120 0.002 0.000 0.264 319 V C 0.784 176.931 176.094 0.089 0.000 1.112 319 V CA 1.352 63.704 62.300 0.088 0.000 1.110 319 V CB -1.184 30.695 31.823 0.094 0.000 0.689 319 V HN 0.139 nan 8.190 nan 0.000 0.459 320 V N 0.416 120.372 119.914 0.071 0.000 2.737 320 V HA 0.370 4.491 4.120 0.002 0.000 0.298 320 V C -0.101 176.028 176.094 0.058 0.000 1.163 320 V CA -0.817 61.524 62.300 0.069 0.000 0.925 320 V CB 1.469 33.342 31.823 0.083 0.000 1.037 320 V HN 0.468 nan 8.190 nan 0.000 0.433 321 N N 2.714 121.445 118.700 0.052 0.000 2.226 321 N HA -0.056 4.685 4.740 0.002 0.000 0.232 321 N C 1.139 176.687 175.510 0.062 0.000 1.255 321 N CA 0.765 53.845 53.050 0.049 0.000 0.855 321 N CB 0.844 39.356 38.487 0.041 0.000 1.095 321 N HN 0.811 nan 8.380 nan 0.000 0.444 322 E N 0.498 120.733 120.200 0.057 0.000 2.274 322 E HA -0.112 4.239 4.350 0.002 0.000 0.194 322 E C 0.789 177.444 176.600 0.092 0.000 0.996 322 E CA 0.601 57.040 56.400 0.065 0.000 0.840 322 E CB 0.268 29.998 29.700 0.050 0.000 0.772 322 E HN 0.531 nan 8.360 nan 0.000 0.491 323 E N 0.069 120.326 120.200 0.096 0.000 2.076 323 E HA -0.083 4.268 4.350 0.002 0.000 0.190 323 E C 2.237 178.969 176.600 0.219 0.000 0.979 323 E CA 0.649 57.129 56.400 0.134 0.000 0.807 323 E CB 0.001 29.752 29.700 0.084 0.000 0.761 323 E HN 0.128 nan 8.360 nan 0.000 0.454 324 V N 1.719 121.727 119.914 0.158 0.000 2.488 324 V HA -0.114 4.008 4.120 0.002 0.000 0.246 324 V C 2.467 178.728 176.094 0.277 0.000 1.046 324 V CA 1.320 63.730 62.300 0.183 0.000 1.053 324 V CB -0.861 31.003 31.823 0.068 0.000 0.679 324 V HN 0.184 nan 8.190 nan 0.000 0.458 325 A N 1.073 123.999 122.820 0.178 0.000 1.915 325 A HA -0.214 4.108 4.320 0.002 0.000 0.220 325 A C 0.554 178.213 177.584 0.125 0.000 1.198 325 A CA 2.569 54.686 52.037 0.132 0.000 0.647 325 A CB -2.060 16.992 19.000 0.086 0.000 0.825 325 A HN 0.570 nan 8.150 nan 0.000 0.456 326 P HA -0.093 nan 4.420 nan 0.000 0.226 326 P C 0.601 177.849 177.300 -0.086 0.000 1.153 326 P CA 0.807 63.889 63.100 -0.030 0.000 0.777 326 P CB -0.174 31.454 31.700 -0.119 0.000 0.794 327 W N -1.244 120.056 121.300 -0.000 0.000 2.678 327 W HA 0.010 4.672 4.660 0.002 0.000 0.256 327 W C 1.646 178.165 176.519 0.001 0.000 1.280 327 W CA 0.059 57.403 57.345 -0.002 0.000 1.345 327 W CB -0.942 28.519 29.460 0.001 0.000 1.118 327 W HN -0.117 nan 8.180 nan 0.000 0.629 328 L N 0.128 121.467 121.223 0.192 0.000 2.012 328 L HA -0.236 4.106 4.340 0.002 0.000 0.210 328 L C 1.961 178.882 176.870 0.084 0.000 1.073 328 L CA 2.028 56.945 54.840 0.128 0.000 0.748 328 L CB -1.444 40.675 42.059 0.101 0.000 0.891 328 L HN -0.058 nan 8.230 nan 0.000 0.431 329 D N -1.323 119.105 120.400 0.047 0.000 2.183 329 D HA -0.150 4.492 4.640 0.002 0.000 0.203 329 D C 2.128 178.433 176.300 0.008 0.000 0.969 329 D CA 0.456 54.468 54.000 0.019 0.000 0.842 329 D CB 0.140 40.935 40.800 -0.008 0.000 0.957 329 D HN 0.146 nan 8.370 nan 0.000 0.484 330 L N -0.128 121.092 121.223 -0.005 0.000 2.027 330 L HA -0.051 4.290 4.340 0.002 0.000 0.206 330 L C 2.059 178.960 176.870 0.052 0.000 1.074 330 L CA 1.421 56.252 54.840 -0.015 0.000 0.745 330 L CB -0.591 41.416 42.059 -0.086 0.000 0.898 330 L HN -0.040 nan 8.230 nan 0.000 0.433 331 V N 0.390 120.368 119.914 0.106 0.000 2.626 331 V HA -0.216 3.905 4.120 0.002 0.000 0.252 331 V C 2.787 178.924 176.094 0.071 0.000 1.067 331 V CA 1.816 64.182 62.300 0.111 0.000 1.081 331 V CB -0.911 30.995 31.823 0.138 0.000 0.686 331 V HN 0.559 nan 8.190 nan 0.000 0.468 332 R N 0.668 121.204 120.500 0.060 0.000 2.081 332 R HA -0.193 4.148 4.340 0.002 0.000 0.235 332 R C 2.301 178.624 176.300 0.039 0.000 1.131 332 R CA 1.751 57.879 56.100 0.047 0.000 0.960 332 R CB -0.156 30.169 30.300 0.042 0.000 0.856 332 R HN 0.452 nan 8.270 nan 0.000 0.436 333 K N 0.340 120.760 120.400 0.034 0.000 2.148 333 K HA -0.066 4.256 4.320 0.002 0.000 0.204 333 K C 2.147 178.769 176.600 0.036 0.000 1.050 333 K CA 1.193 57.496 56.287 0.028 0.000 0.942 333 K CB -0.071 32.439 32.500 0.016 0.000 0.724 333 K HN 0.222 nan 8.250 nan 0.000 0.446 334 L N 0.128 121.377 121.223 0.044 0.000 2.046 334 L HA -0.137 4.205 4.340 0.002 0.000 0.208 334 L C 2.570 179.464 176.870 0.040 0.000 1.077 334 L CA 1.466 56.335 54.840 0.048 0.000 0.747 334 L CB -0.990 41.105 42.059 0.059 0.000 0.896 334 L HN 0.340 nan 8.230 nan 0.000 0.432 335 G N -0.183 108.640 108.800 0.038 0.000 2.440 335 G HA2 -0.202 3.759 3.960 0.002 0.000 0.218 335 G HA3 -0.202 3.759 3.960 0.002 0.000 0.218 335 G C 1.604 176.512 174.900 0.013 0.000 1.154 335 G CA 0.962 46.078 45.100 0.027 0.000 0.767 335 G HN 0.192 nan 8.290 nan 0.000 0.552 336 V N 0.517 120.443 119.914 0.021 0.000 2.287 336 V HA -0.132 3.989 4.120 0.002 0.000 0.248 336 V C 2.778 178.883 176.094 0.020 0.000 1.053 336 V CA 1.358 63.669 62.300 0.018 0.000 1.027 336 V CB -0.474 31.363 31.823 0.023 0.000 0.646 336 V HN 0.246 nan 8.190 nan 0.000 0.447 337 L N 0.479 121.720 121.223 0.030 0.000 2.027 337 L HA -0.040 4.301 4.340 0.002 0.000 0.206 337 L C 2.588 179.478 176.870 0.034 0.000 1.074 337 L CA 2.305 57.169 54.840 0.040 0.000 0.745 337 L CB -1.464 40.629 42.059 0.056 0.000 0.898 337 L HN 0.295 nan 8.230 nan 0.000 0.433 338 A N -0.936 121.900 122.820 0.027 0.000 1.978 338 A HA -0.120 4.201 4.320 0.002 0.000 0.220 338 A C 2.319 179.898 177.584 -0.009 0.000 1.170 338 A CA 1.662 53.709 52.037 0.017 0.000 0.636 338 A CB -1.182 17.827 19.000 0.015 0.000 0.810 338 A HN 0.488 nan 8.150 nan 0.000 0.448 339 G N -1.027 107.760 108.800 -0.022 0.000 2.408 339 G HA2 0.024 3.985 3.960 0.002 0.000 0.215 339 G HA3 0.024 3.985 3.960 0.002 0.000 0.215 339 G C 1.450 176.328 174.900 -0.038 0.000 1.156 339 G CA 1.013 46.082 45.100 -0.051 0.000 0.793 339 G HN 0.293 nan 8.290 nan 0.000 0.535 340 V N 1.016 120.925 119.914 -0.009 0.000 2.379 340 V HA -0.034 4.088 4.120 0.002 0.000 0.245 340 V C 2.762 178.848 176.094 -0.014 0.000 1.044 340 V CA 1.135 63.432 62.300 -0.004 0.000 1.036 340 V CB -0.318 31.515 31.823 0.016 0.000 0.664 340 V HN 0.314 nan 8.190 nan 0.000 0.453 341 L N -0.363 120.862 121.223 0.003 0.000 2.465 341 L HA -0.000 4.341 4.340 0.002 0.000 0.224 341 L C 1.119 177.970 176.870 -0.031 0.000 1.145 341 L CA 0.276 55.117 54.840 0.002 0.000 0.834 341 L CB -0.324 41.770 42.059 0.058 0.000 0.944 341 L HN 0.185 nan 8.230 nan 0.000 0.451 342 S N -0.268 115.410 115.700 -0.036 0.000 2.565 342 S HA 0.043 4.515 4.470 0.002 0.000 0.274 342 S C 0.624 175.187 174.600 -0.062 0.000 1.309 342 S CA -0.763 57.409 58.200 -0.047 0.000 1.043 342 S CB 1.370 64.536 63.200 -0.056 0.000 0.939 342 S HN 0.143 nan 8.310 nan 0.000 0.504 343 D N 2.009 122.376 120.400 -0.055 0.000 2.097 343 D HA -0.019 4.622 4.640 0.002 0.000 0.197 343 D C 0.516 176.776 176.300 -0.066 0.000 0.984 343 D CA 1.438 55.407 54.000 -0.053 0.000 0.826 343 D CB 0.227 41.005 40.800 -0.036 0.000 0.973 343 D HN 0.676 nan 8.370 nan 0.000 0.460 344 E N -0.731 119.425 120.200 -0.073 0.000 2.431 344 E HA 0.367 4.718 4.350 0.002 0.000 0.268 344 E C -0.568 175.959 176.600 -0.122 0.000 0.953 344 E CA -0.927 55.412 56.400 -0.103 0.000 0.810 344 E CB 1.313 30.963 29.700 -0.082 0.000 1.369 344 E HN -0.191 nan 8.360 nan 0.000 0.440 345 L N 3.235 124.360 121.223 -0.164 0.000 2.628 345 L HA 0.102 4.444 4.340 0.002 0.000 0.274 345 L C -1.888 174.929 176.870 -0.088 0.000 1.209 345 L CA -0.964 53.774 54.840 -0.169 0.000 0.930 345 L CB 0.083 42.039 42.059 -0.172 0.000 1.183 345 L HN 0.439 nan 8.230 nan 0.000 0.492 346 P HA -0.011 nan 4.420 nan 0.000 0.269 346 P C 0.792 178.094 177.300 0.003 0.000 1.215 346 P CA -0.271 62.810 63.100 -0.031 0.000 0.780 346 P CB 0.758 32.441 31.700 -0.028 0.000 0.898 347 V N -0.646 119.276 119.914 0.014 0.000 2.951 347 V HA 0.050 4.171 4.120 0.002 0.000 0.255 347 V C 0.804 176.927 176.094 0.049 0.000 1.088 347 V CA 1.382 63.703 62.300 0.035 0.000 1.109 347 V CB -1.093 30.743 31.823 0.022 0.000 0.724 347 V HN 0.759 nan 8.190 nan 0.000 0.471 348 S N -0.839 114.883 115.700 0.038 0.000 2.588 348 S HA 0.720 5.192 4.470 0.002 0.000 0.269 348 S C -1.285 173.336 174.600 0.035 0.000 1.157 348 S CA -0.869 57.358 58.200 0.045 0.000 0.824 348 S CB 1.859 65.078 63.200 0.031 0.000 1.126 348 S HN 0.224 nan 8.310 nan 0.000 0.464 349 L N 1.843 123.091 121.223 0.041 0.000 2.305 349 L HA 0.579 4.920 4.340 0.002 0.000 0.284 349 L C -0.279 176.604 176.870 0.022 0.000 1.013 349 L CA -0.609 54.250 54.840 0.031 0.000 0.819 349 L CB 1.974 44.059 42.059 0.043 0.000 1.227 349 L HN 0.730 nan 8.230 nan 0.000 0.417 350 S N 2.310 118.020 115.700 0.015 0.000 2.422 350 S HA 0.415 4.887 4.470 0.002 0.000 0.308 350 S C -0.147 174.458 174.600 0.008 0.000 1.097 350 S CA -0.499 57.706 58.200 0.008 0.000 1.099 350 S CB 1.231 64.435 63.200 0.006 0.000 0.976 350 S HN 0.277 nan 8.310 nan 0.000 0.471 351 V N 4.977 124.892 119.914 0.003 0.000 2.364 351 V HA 0.354 4.475 4.120 0.002 0.000 0.272 351 V C 0.146 176.233 176.094 -0.012 0.000 1.036 351 V CA -0.643 61.657 62.300 0.000 0.000 0.880 351 V CB 1.038 32.860 31.823 -0.002 0.000 0.991 351 V HN 0.772 nan 8.190 nan 0.000 0.460 352 Q N 4.038 123.833 119.800 -0.009 0.000 2.290 352 Q HA 0.578 4.919 4.340 0.002 0.000 0.259 352 Q C -1.152 174.826 176.000 -0.037 0.000 0.941 352 Q CA -0.259 55.532 55.803 -0.019 0.000 0.912 352 Q CB 1.809 30.544 28.738 -0.006 0.000 1.244 352 Q HN 0.622 nan 8.270 nan 0.000 0.441 353 V N 5.681 125.557 119.914 -0.064 0.000 2.384 353 V HA 0.597 4.718 4.120 0.002 0.000 0.287 353 V C -0.287 175.749 176.094 -0.097 0.000 1.020 353 V CA -0.619 61.613 62.300 -0.114 0.000 0.850 353 V CB 1.356 33.086 31.823 -0.154 0.000 0.987 353 V HN 0.783 nan 8.190 nan 0.000 0.436 354 R N 2.877 123.320 120.500 -0.096 0.000 2.795 354 R HA 0.793 5.134 4.340 0.002 0.000 0.275 354 R C 0.419 176.683 176.300 -0.059 0.000 0.981 354 R CA -0.091 55.975 56.100 -0.057 0.000 0.917 354 R CB 2.177 32.468 30.300 -0.017 0.000 1.202 354 R HN 1.017 nan 8.270 nan 0.000 0.469 355 G N 1.540 110.317 108.800 -0.039 0.000 2.512 355 G HA2 -0.328 3.634 3.960 0.002 0.000 0.240 355 G HA3 -0.328 3.634 3.960 0.002 0.000 0.240 355 G C 0.615 175.489 174.900 -0.044 0.000 1.246 355 G CA 0.222 45.309 45.100 -0.023 0.000 0.919 355 G HN 0.682 nan 8.290 nan 0.000 0.577 356 E N -0.284 119.901 120.200 -0.025 0.000 2.077 356 E HA -0.099 4.253 4.350 0.002 0.000 0.193 356 E C 2.628 179.184 176.600 -0.074 0.000 0.989 356 E CA 1.291 57.675 56.400 -0.026 0.000 0.800 356 E CB -0.061 29.649 29.700 0.017 0.000 0.746 356 E HN 0.368 nan 8.360 nan 0.000 0.452 357 L N 1.204 122.337 121.223 -0.151 0.000 2.261 357 L HA -0.126 4.215 4.340 0.002 0.000 0.216 357 L C 2.128 178.865 176.870 -0.220 0.000 1.114 357 L CA 1.535 56.205 54.840 -0.283 0.000 0.777 357 L CB -0.499 41.182 42.059 -0.629 0.000 0.910 357 L HN 0.033 nan 8.230 nan 0.000 0.440 358 A N -0.937 121.788 122.820 -0.158 0.000 2.172 358 A HA 0.049 4.371 4.320 0.002 0.000 0.216 358 A C 2.273 179.805 177.584 -0.086 0.000 1.154 358 A CA 1.191 53.158 52.037 -0.118 0.000 0.701 358 A CB -0.783 18.165 19.000 -0.086 0.000 0.789 358 A HN 0.508 nan 8.150 nan 0.000 0.465 359 A N -0.792 121.982 122.820 -0.076 0.000 2.208 359 A HA 0.194 4.515 4.320 0.002 0.000 0.209 359 A C 0.801 178.354 177.584 -0.052 0.000 1.161 359 A CA 0.124 52.130 52.037 -0.051 0.000 0.782 359 A CB 0.005 18.984 19.000 -0.036 0.000 0.816 359 A HN 0.412 nan 8.150 nan 0.000 0.477 360 E N 0.325 120.480 120.200 -0.074 0.000 2.254 360 E HA 0.362 4.713 4.350 0.002 0.000 0.261 360 E C -0.881 175.684 176.600 -0.059 0.000 1.051 360 E CA -0.539 55.823 56.400 -0.062 0.000 0.902 360 E CB 0.400 30.052 29.700 -0.080 0.000 1.168 360 E HN 0.090 nan 8.360 nan 0.000 0.423 361 E N 0.782 120.958 120.200 -0.040 0.000 2.129 361 E HA 0.123 4.475 4.350 0.002 0.000 0.283 361 E C 0.128 176.705 176.600 -0.039 0.000 1.080 361 E CA -0.053 56.326 56.400 -0.035 0.000 0.867 361 E CB 0.476 30.166 29.700 -0.017 0.000 1.056 361 E HN 0.290 nan 8.360 nan 0.000 0.404 362 V N 0.412 120.294 119.914 -0.053 0.000 3.166 362 V HA 0.245 4.367 4.120 0.002 0.000 0.332 362 V C 1.127 177.194 176.094 -0.046 0.000 1.434 362 V CA -0.397 61.867 62.300 -0.060 0.000 1.121 362 V CB 0.481 32.240 31.823 -0.106 0.000 1.062 362 V HN 0.322 nan 8.190 nan 0.000 0.489 363 E N 2.088 122.262 120.200 -0.044 0.000 2.097 363 E HA -0.187 4.164 4.350 0.002 0.000 0.196 363 E C 2.448 179.023 176.600 -0.042 0.000 1.000 363 E CA 2.036 58.404 56.400 -0.053 0.000 0.804 363 E CB -0.296 29.359 29.700 -0.074 0.000 0.740 363 E HN 0.809 nan 8.360 nan 0.000 0.454 364 V N -0.444 119.463 119.914 -0.011 0.000 2.453 364 V HA -0.265 3.856 4.120 0.002 0.000 0.252 364 V C 2.440 178.533 176.094 -0.002 0.000 1.068 364 V CA 1.497 63.802 62.300 0.008 0.000 1.070 364 V CB -1.047 30.817 31.823 0.068 0.000 0.664 364 V HN 0.128 nan 8.190 nan 0.000 0.461 365 L N -0.305 120.921 121.223 0.004 0.000 2.042 365 L HA -0.184 4.158 4.340 0.002 0.000 0.210 365 L C 3.005 179.875 176.870 0.000 0.000 1.076 365 L CA 2.372 57.222 54.840 0.016 0.000 0.749 365 L CB -0.789 41.273 42.059 0.005 0.000 0.893 365 L HN 0.304 nan 8.230 nan 0.000 0.432 366 R N 0.636 121.122 120.500 -0.023 0.000 2.103 366 R HA -0.188 4.153 4.340 0.002 0.000 0.242 366 R C 2.290 178.566 176.300 -0.040 0.000 1.142 366 R CA 1.469 57.553 56.100 -0.027 0.000 0.960 366 R CB -0.184 30.090 30.300 -0.043 0.000 0.858 366 R HN 0.353 nan 8.270 nan 0.000 0.439 367 L N -0.491 120.685 121.223 -0.079 0.000 2.109 367 L HA -0.087 4.255 4.340 0.002 0.000 0.207 367 L C 2.451 179.281 176.870 -0.068 0.000 1.086 367 L CA 0.928 55.685 54.840 -0.138 0.000 0.760 367 L CB -0.367 41.507 42.059 -0.308 0.000 0.910 367 L HN 0.147 nan 8.230 nan 0.000 0.437 368 S N 0.458 116.145 115.700 -0.020 0.000 2.359 368 S HA -0.225 4.247 4.470 0.002 0.000 0.224 368 S C 2.289 176.912 174.600 0.038 0.000 1.035 368 S CA 1.381 59.595 58.200 0.023 0.000 1.018 368 S CB -0.388 62.841 63.200 0.049 0.000 0.876 368 S HN 0.497 nan 8.310 nan 0.000 0.448 369 A N 1.466 124.309 122.820 0.038 0.000 1.892 369 A HA -0.124 4.197 4.320 0.002 0.000 0.218 369 A C 2.166 179.794 177.584 0.073 0.000 1.188 369 A CA 1.535 53.602 52.037 0.049 0.000 0.631 369 A CB -0.900 18.124 19.000 0.041 0.000 0.822 369 A HN 0.462 nan 8.150 nan 0.000 0.447 370 L N -1.416 119.859 121.223 0.087 0.000 2.083 370 L HA -0.160 4.181 4.340 0.002 0.000 0.209 370 L C 2.878 179.887 176.870 0.232 0.000 1.083 370 L CA 1.309 56.262 54.840 0.188 0.000 0.752 370 L CB -0.457 41.675 42.059 0.121 0.000 0.899 370 L HN 0.393 nan 8.230 nan 0.000 0.433 371 R N 0.283 120.850 120.500 0.112 0.000 2.081 371 R HA -0.144 4.197 4.340 0.002 0.000 0.235 371 R C 2.110 178.473 176.300 0.104 0.000 1.131 371 R CA 1.628 57.788 56.100 0.100 0.000 0.960 371 R CB -0.539 29.793 30.300 0.054 0.000 0.856 371 R HN 0.436 nan 8.270 nan 0.000 0.436 372 G N 1.136 109.983 108.800 0.079 0.000 2.414 372 G HA2 -0.248 3.714 3.960 0.002 0.000 0.215 372 G HA3 -0.248 3.714 3.960 0.002 0.000 0.215 372 G C 1.392 176.312 174.900 0.033 0.000 1.188 372 G CA 0.458 45.589 45.100 0.051 0.000 0.783 372 G HN 0.311 nan 8.290 nan 0.000 0.537 373 L N -0.245 120.992 121.223 0.023 0.000 2.043 373 L HA 0.047 4.388 4.340 0.002 0.000 0.212 373 L C 1.895 178.631 176.870 -0.224 0.000 1.075 373 L CA 1.589 56.361 54.840 -0.114 0.000 0.752 373 L CB -0.515 41.428 42.059 -0.193 0.000 0.891 373 L HN 0.208 nan 8.230 nan 0.000 0.432 374 F N -1.095 118.864 119.950 0.014 0.000 2.660 374 F HA 0.141 4.670 4.527 0.002 0.000 0.302 374 F C 2.116 177.802 175.800 -0.190 0.000 1.103 374 F CA 0.338 58.283 58.000 -0.092 0.000 1.340 374 F CB -0.471 38.492 39.000 -0.062 0.000 1.048 374 F HN -0.011 nan 8.300 nan 0.000 0.551 375 S N 0.633 116.328 115.700 -0.009 0.000 2.387 375 S HA -0.311 4.161 4.470 0.002 0.000 0.230 375 S C 2.430 176.972 174.600 -0.096 0.000 1.035 375 S CA 1.225 59.409 58.200 -0.027 0.000 1.014 375 S CB -0.577 62.619 63.200 -0.006 0.000 0.836 375 S HN 0.441 nan 8.310 nan 0.000 0.466 376 A N 1.027 123.723 122.820 -0.206 0.000 2.125 376 A HA 0.044 4.365 4.320 0.002 0.000 0.219 376 A C 1.931 179.357 177.584 -0.264 0.000 1.156 376 A CA 1.454 53.351 52.037 -0.233 0.000 0.671 376 A CB -0.572 18.272 19.000 -0.259 0.000 0.794 376 A HN 0.845 nan 8.150 nan 0.000 0.459 377 V N -3.661 116.069 119.914 -0.307 0.000 3.070 377 V HA 0.561 4.682 4.120 0.002 0.000 0.345 377 V C -0.147 175.905 176.094 -0.071 0.000 1.403 377 V CA -0.430 61.768 62.300 -0.169 0.000 1.155 377 V CB -0.664 31.054 31.823 -0.174 0.000 1.140 377 V HN 0.236 nan 8.190 nan 0.000 0.505 378 I N 0.846 121.387 120.570 -0.049 0.000 2.465 378 I HA 0.512 4.683 4.170 0.002 0.000 0.291 378 I C -0.049 176.065 176.117 -0.005 0.000 1.014 378 I CA -0.549 60.744 61.300 -0.012 0.000 1.093 378 I CB 2.368 40.377 38.000 0.014 0.000 1.267 378 I HN 0.161 nan 8.210 nan 0.000 0.431 379 E N 4.204 124.406 120.200 0.003 0.000 2.343 379 E HA 0.048 4.399 4.350 0.002 0.000 0.269 379 E C 0.037 176.645 176.600 0.014 0.000 1.047 379 E CA -0.413 55.991 56.400 0.008 0.000 0.874 379 E CB 1.067 30.774 29.700 0.011 0.000 1.033 379 E HN 0.473 nan 8.360 nan 0.000 0.409 380 D N 2.403 122.811 120.400 0.013 0.000 2.116 380 D HA -0.228 4.413 4.640 0.002 0.000 0.193 380 D C 1.785 178.097 176.300 0.020 0.000 0.998 380 D CA 1.601 55.611 54.000 0.016 0.000 0.836 380 D CB -0.245 40.563 40.800 0.013 0.000 0.951 380 D HN 0.555 nan 8.370 nan 0.000 0.449 381 A N 1.140 123.971 122.820 0.018 0.000 1.927 381 A HA -0.144 4.178 4.320 0.002 0.000 0.220 381 A C 1.398 178.997 177.584 0.026 0.000 1.185 381 A CA 0.882 52.929 52.037 0.017 0.000 0.639 381 A CB -0.715 18.292 19.000 0.011 0.000 0.820 381 A HN 0.144 nan 8.150 nan 0.000 0.451 382 V N -0.361 119.572 119.914 0.032 0.000 2.740 382 V HA 0.222 4.343 4.120 0.002 0.000 0.303 382 V C 1.265 177.402 176.094 0.072 0.000 1.054 382 V CA 1.038 63.370 62.300 0.053 0.000 1.106 382 V CB 1.087 32.944 31.823 0.056 0.000 0.957 382 V HN 0.450 nan 8.190 nan 0.000 0.486 383 T N 2.504 117.123 114.554 0.110 0.000 3.057 383 T HA 0.234 4.585 4.350 0.002 0.000 0.254 383 T C -0.067 174.734 174.700 0.168 0.000 0.965 383 T CA 0.066 62.236 62.100 0.117 0.000 0.978 383 T CB 0.230 69.164 68.868 0.109 0.000 1.169 383 T HN 0.458 nan 8.240 nan 0.000 0.489 384 F N 3.948 123.913 119.950 0.026 0.000 2.425 384 F HA 0.662 5.191 4.527 0.002 0.000 0.331 384 F C -0.638 175.177 175.800 0.024 0.000 1.085 384 F CA -1.508 56.514 58.000 0.037 0.000 1.028 384 F CB 1.127 40.147 39.000 0.033 0.000 1.177 384 F HN -0.061 nan 8.300 nan 0.000 0.487 385 V N 2.089 121.973 119.914 -0.049 0.000 3.040 385 V HA 0.486 4.607 4.120 0.002 0.000 0.312 385 V C -0.856 175.205 176.094 -0.055 0.000 1.115 385 V CA -1.194 61.166 62.300 0.099 0.000 0.998 385 V CB 1.523 33.344 31.823 -0.003 0.000 1.042 385 V HN 0.843 nan 8.190 nan 0.000 0.433 386 N N 1.474 120.283 118.700 0.183 0.000 2.402 386 N HA 0.393 5.134 4.740 0.002 0.000 0.252 386 N C 0.883 176.407 175.510 0.023 0.000 1.118 386 N CA 0.503 53.677 53.050 0.206 0.000 0.945 386 N CB 1.473 40.089 38.487 0.215 0.000 1.147 386 N HN 0.984 nan 8.380 nan 0.000 0.495 387 A N 6.474 129.281 122.820 -0.022 0.000 1.858 387 A HA -0.008 4.314 4.320 0.002 0.000 0.216 387 A C -0.475 177.093 177.584 -0.026 0.000 1.190 387 A CA 1.105 53.110 52.037 -0.055 0.000 0.617 387 A CB -1.272 17.687 19.000 -0.069 0.000 0.827 387 A HN 0.600 nan 8.150 nan 0.000 0.443 388 P HA -0.172 nan 4.420 nan 0.000 0.216 388 P C 1.701 179.002 177.300 0.001 0.000 1.153 388 P CA 2.101 65.210 63.100 0.016 0.000 0.858 388 P CB -0.086 31.644 31.700 0.050 0.000 0.789 389 A N -0.911 121.911 122.820 0.005 0.000 1.897 389 A HA -0.142 4.179 4.320 0.002 0.000 0.215 389 A C 2.111 179.659 177.584 -0.061 0.000 1.181 389 A CA 1.272 53.299 52.037 -0.016 0.000 0.620 389 A CB -1.608 17.391 19.000 -0.001 0.000 0.821 389 A HN 0.160 nan 8.150 nan 0.000 0.443 390 L N 0.055 121.219 121.223 -0.098 0.000 2.012 390 L HA -0.105 4.236 4.340 0.002 0.000 0.210 390 L C 2.611 179.392 176.870 -0.150 0.000 1.073 390 L CA 2.371 57.095 54.840 -0.194 0.000 0.748 390 L CB -0.871 41.021 42.059 -0.279 0.000 0.891 390 L HN 0.337 nan 8.230 nan 0.000 0.431 391 A N -0.362 122.408 122.820 -0.085 0.000 1.883 391 A HA -0.144 4.177 4.320 0.002 0.000 0.217 391 A C 2.460 180.026 177.584 -0.030 0.000 1.186 391 A CA 2.213 54.226 52.037 -0.041 0.000 0.624 391 A CB -1.318 17.671 19.000 -0.019 0.000 0.822 391 A HN 0.627 nan 8.150 nan 0.000 0.444 392 A N -0.600 122.202 122.820 -0.029 0.000 1.898 392 A HA -0.149 4.172 4.320 0.002 0.000 0.216 392 A C 2.096 179.662 177.584 -0.029 0.000 1.181 392 A CA 1.764 53.788 52.037 -0.021 0.000 0.620 392 A CB -0.491 18.501 19.000 -0.013 0.000 0.819 392 A HN 0.697 nan 8.150 nan 0.000 0.442 393 E N -0.482 119.690 120.200 -0.047 0.000 2.046 393 E HA -0.130 4.221 4.350 0.002 0.000 0.190 393 E C 1.940 178.514 176.600 -0.043 0.000 0.982 393 E CA 0.958 57.327 56.400 -0.052 0.000 0.800 393 E CB -0.035 29.623 29.700 -0.071 0.000 0.756 393 E HN 0.567 nan 8.360 nan 0.000 0.449 394 R N -1.609 118.857 120.500 -0.057 0.000 2.373 394 R HA 0.180 4.521 4.340 0.002 0.000 0.221 394 R C 0.938 177.261 176.300 0.039 0.000 0.893 394 R CA 0.517 56.611 56.100 -0.009 0.000 1.049 394 R CB 1.278 31.552 30.300 -0.044 0.000 1.119 394 R HN 0.332 nan 8.270 nan 0.000 0.535 395 G N 1.199 110.009 108.800 0.017 0.000 2.141 395 G HA2 -0.225 3.736 3.960 0.002 0.000 0.242 395 G HA3 -0.225 3.736 3.960 0.002 0.000 0.242 395 G C -0.063 174.876 174.900 0.066 0.000 0.982 395 G CA -0.001 45.121 45.100 0.036 0.000 0.662 395 G HN 0.108 nan 8.290 nan 0.000 0.527 396 V N 1.504 121.475 119.914 0.095 0.000 2.459 396 V HA 0.826 4.947 4.120 0.002 0.000 0.295 396 V C 0.683 176.834 176.094 0.094 0.000 1.029 396 V CA 0.101 62.491 62.300 0.149 0.000 0.874 396 V CB 1.635 33.680 31.823 0.371 0.000 0.985 396 V HN 0.790 nan 8.190 nan 0.000 0.438 397 T N 1.416 116.016 114.554 0.077 0.000 2.927 397 T HA 0.940 5.291 4.350 0.002 0.000 0.286 397 T C -0.396 174.336 174.700 0.053 0.000 1.040 397 T CA -0.544 61.583 62.100 0.046 0.000 1.010 397 T CB 2.217 71.099 68.868 0.023 0.000 1.177 397 T HN 1.181 nan 8.240 nan 0.000 0.546 398 A N 0.929 123.765 122.820 0.028 0.000 2.475 398 A HA 0.795 5.117 4.320 0.002 0.000 0.301 398 A C -0.685 176.899 177.584 0.000 0.000 1.059 398 A CA -1.028 51.022 52.037 0.021 0.000 0.710 398 A CB 1.398 20.412 19.000 0.023 0.000 1.288 398 A HN 1.086 nan 8.150 nan 0.000 0.408 399 E N 1.437 121.636 120.200 -0.002 0.000 2.392 399 E HA 0.761 5.112 4.350 0.002 0.000 0.269 399 E C -1.341 175.249 176.600 -0.017 0.000 0.924 399 E CA -0.848 55.544 56.400 -0.013 0.000 0.784 399 E CB 1.714 31.408 29.700 -0.011 0.000 1.292 399 E HN 0.363 nan 8.360 nan 0.000 0.447 400 I N 1.076 121.631 120.570 -0.026 0.000 2.493 400 I HA 0.367 4.538 4.170 0.002 0.000 0.298 400 I C -0.716 175.383 176.117 -0.030 0.000 0.998 400 I CA -0.796 60.486 61.300 -0.031 0.000 1.137 400 I CB 1.509 39.483 38.000 -0.042 0.000 1.310 400 I HN 0.735 nan 8.210 nan 0.000 0.445 401 C N 5.347 124.629 119.300 -0.030 0.000 2.547 401 C HA 0.506 4.968 4.460 0.002 0.000 0.313 401 C C -0.034 174.933 174.990 -0.038 0.000 1.191 401 C CA -1.089 57.912 59.018 -0.029 0.000 1.474 401 C CB 1.921 29.649 27.740 -0.020 0.000 2.081 401 C HN 0.657 nan 8.230 nan 0.000 0.476 402 K N 1.533 121.909 120.400 -0.040 0.000 2.156 402 K HA 0.863 5.184 4.320 0.002 0.000 0.254 402 K C -0.659 175.919 176.600 -0.037 0.000 0.950 402 K CA -0.248 56.011 56.287 -0.047 0.000 0.849 402 K CB 2.154 34.622 32.500 -0.053 0.000 1.100 402 K HN 0.814 nan 8.250 nan 0.000 0.434 403 A N 0.872 123.668 122.820 -0.039 0.000 2.455 403 A HA 0.368 4.689 4.320 0.002 0.000 0.300 403 A C 0.398 177.963 177.584 -0.032 0.000 1.040 403 A CA -0.738 51.282 52.037 -0.029 0.000 0.697 403 A CB 1.488 20.476 19.000 -0.020 0.000 1.265 403 A HN 0.646 nan 8.150 nan 0.000 0.407 404 S N 0.541 116.226 115.700 -0.026 0.000 2.368 404 S HA -0.097 4.374 4.470 0.002 0.000 0.225 404 S C 0.854 175.442 174.600 -0.021 0.000 1.030 404 S CA 1.498 59.683 58.200 -0.025 0.000 0.999 404 S CB -0.110 63.078 63.200 -0.020 0.000 0.844 404 S HN 0.787 nan 8.310 nan 0.000 0.459 405 E N 1.559 121.749 120.200 -0.016 0.000 2.227 405 E HA 0.338 4.689 4.350 0.002 0.000 0.282 405 E C -0.817 175.779 176.600 -0.007 0.000 1.015 405 E CA -0.283 56.110 56.400 -0.012 0.000 0.823 405 E CB 0.872 30.565 29.700 -0.012 0.000 1.081 405 E HN 0.161 nan 8.360 nan 0.000 0.396 406 S N 4.756 120.456 115.700 -0.001 0.000 2.451 406 S HA 0.365 4.836 4.470 0.002 0.000 0.301 406 S C -1.686 172.911 174.600 -0.004 0.000 1.116 406 S CA -1.608 56.600 58.200 0.014 0.000 1.093 406 S CB 1.278 64.504 63.200 0.042 0.000 1.017 406 S HN 0.468 nan 8.310 nan 0.000 0.482 407 P HA -0.043 nan 4.420 nan 0.000 0.218 407 P C 0.551 177.793 177.300 -0.097 0.000 1.148 407 P CA 1.321 64.392 63.100 -0.048 0.000 0.822 407 P CB 0.144 31.816 31.700 -0.047 0.000 0.784 408 N N -2.198 116.422 118.700 -0.133 0.000 3.233 408 N HA -0.031 4.710 4.740 0.002 0.000 0.244 408 N C 0.402 175.746 175.510 -0.278 0.000 1.007 408 N CA 0.137 53.026 53.050 -0.268 0.000 1.103 408 N CB -0.116 38.104 38.487 -0.444 0.000 1.573 408 N HN -0.089 nan 8.380 nan 0.000 0.694 409 H N 1.192 120.254 119.070 -0.013 0.000 2.690 409 H HA 0.218 4.776 4.556 0.002 0.000 0.365 409 H C 0.766 176.115 175.328 0.034 0.000 1.142 409 H CA 0.162 56.220 56.048 0.017 0.000 1.417 409 H CB 1.006 30.813 29.762 0.075 0.000 1.446 409 H HN 0.273 nan 8.280 nan 0.000 0.599 410 R N 0.765 121.363 120.500 0.163 0.000 2.127 410 R HA -0.013 4.329 4.340 0.002 0.000 0.238 410 R C 0.049 176.422 176.300 0.122 0.000 1.134 410 R CA 0.984 57.151 56.100 0.111 0.000 0.975 410 R CB 0.215 30.576 30.300 0.103 0.000 0.865 410 R HN 0.306 nan 8.270 nan 0.000 0.447 411 S N -0.641 115.178 115.700 0.199 0.000 2.540 411 S HA 0.488 4.959 4.470 0.002 0.000 0.275 411 S C -1.479 173.266 174.600 0.241 0.000 1.123 411 S CA -0.764 57.521 58.200 0.142 0.000 0.907 411 S CB 2.830 66.088 63.200 0.097 0.000 1.081 411 S HN -0.027 nan 8.310 nan 0.000 0.476 412 V N 2.760 122.745 119.914 0.119 0.000 2.971 412 V HA 0.752 4.873 4.120 0.002 0.000 0.309 412 V C -1.583 174.542 176.094 0.052 0.000 1.130 412 V CA -0.457 61.947 62.300 0.173 0.000 0.964 412 V CB 2.205 34.139 31.823 0.184 0.000 1.029 412 V HN 0.690 nan 8.190 nan 0.000 0.427 413 V N 4.999 124.992 119.914 0.131 0.000 2.448 413 V HA 0.580 4.701 4.120 0.002 0.000 0.295 413 V C -0.924 175.216 176.094 0.077 0.000 1.025 413 V CA -0.637 61.701 62.300 0.063 0.000 0.859 413 V CB 1.868 33.755 31.823 0.107 0.000 0.988 413 V HN 0.903 nan 8.190 nan 0.000 0.431 414 D N 3.854 124.279 120.400 0.042 0.000 2.256 414 D HA 0.414 5.055 4.640 0.002 0.000 0.240 414 D C -0.538 175.782 176.300 0.032 0.000 1.062 414 D CA -0.232 53.792 54.000 0.040 0.000 0.832 414 D CB 2.572 43.391 40.800 0.032 0.000 1.135 414 D HN 0.218 nan 8.370 nan 0.000 0.484 415 V N 3.455 123.390 119.914 0.036 0.000 2.333 415 V HA 0.253 4.375 4.120 0.002 0.000 0.274 415 V C 0.437 176.546 176.094 0.025 0.000 1.028 415 V CA -0.628 61.691 62.300 0.031 0.000 0.851 415 V CB 0.732 32.577 31.823 0.036 0.000 1.000 415 V HN 0.264 nan 8.190 nan 0.000 0.456 416 R N 3.724 124.236 120.500 0.020 0.000 2.202 416 R HA 0.654 4.996 4.340 0.002 0.000 0.334 416 R C 0.050 176.359 176.300 0.015 0.000 1.036 416 R CA -0.191 55.919 56.100 0.017 0.000 0.878 416 R CB 1.322 31.631 30.300 0.014 0.000 1.067 416 R HN 0.775 nan 8.270 nan 0.000 0.457 417 A N 3.348 126.175 122.820 0.012 0.000 2.260 417 A HA 0.315 4.636 4.320 0.002 0.000 0.312 417 A C -0.181 177.405 177.584 0.003 0.000 1.321 417 A CA -0.622 51.418 52.037 0.005 0.000 0.928 417 A CB 0.860 19.857 19.000 -0.005 0.000 1.158 417 A HN 0.552 nan 8.150 nan 0.000 0.542 418 V N 3.378 123.295 119.914 0.005 0.000 2.394 418 V HA 0.790 4.911 4.120 0.002 0.000 0.282 418 V C 0.547 176.640 176.094 -0.000 0.000 1.031 418 V CA 0.275 62.577 62.300 0.004 0.000 0.881 418 V CB 0.974 32.801 31.823 0.007 0.000 0.982 418 V HN 1.070 nan 8.190 nan 0.000 0.451 419 G N 3.945 112.743 108.800 -0.004 0.000 2.507 419 G HA2 0.516 4.477 3.960 0.002 0.000 0.271 419 G HA3 0.516 4.477 3.960 0.002 0.000 0.271 419 G C 0.963 175.861 174.900 -0.004 0.000 1.189 419 G CA -0.183 44.911 45.100 -0.009 0.000 0.859 419 G HN 1.611 nan 8.290 nan 0.000 0.542 420 A N 0.676 123.493 122.820 -0.005 0.000 2.076 420 A HA -0.100 4.221 4.320 0.002 0.000 0.220 420 A C 1.812 179.394 177.584 -0.003 0.000 1.160 420 A CA 2.130 54.166 52.037 -0.002 0.000 0.653 420 A CB -0.218 18.780 19.000 -0.003 0.000 0.801 420 A HN 0.657 nan 8.150 nan 0.000 0.455 421 D N -2.645 117.752 120.400 -0.005 0.000 2.339 421 D HA 0.292 4.934 4.640 0.002 0.000 0.217 421 D C 1.117 177.415 176.300 -0.003 0.000 1.050 421 D CA 0.795 54.792 54.000 -0.005 0.000 0.856 421 D CB -0.554 40.242 40.800 -0.008 0.000 0.922 421 D HN 0.761 nan 8.370 nan 0.000 0.518 422 G N 0.325 109.123 108.800 -0.002 0.000 2.157 422 G HA2 -0.277 3.685 3.960 0.002 0.000 0.248 422 G HA3 -0.277 3.685 3.960 0.002 0.000 0.248 422 G C 0.383 175.283 174.900 0.000 0.000 0.979 422 G CA 0.380 45.480 45.100 -0.000 0.000 0.650 422 G HN 0.785 nan 8.290 nan 0.000 0.529 423 S N -1.053 114.646 115.700 -0.001 0.000 2.632 423 S HA 0.779 5.250 4.470 0.002 0.000 0.267 423 S C -0.066 174.536 174.600 0.004 0.000 1.276 423 S CA -0.148 58.053 58.200 0.001 0.000 0.998 423 S CB 2.760 65.959 63.200 -0.001 0.000 0.953 423 S HN 1.135 nan 8.310 nan 0.000 0.547 424 V N 1.381 121.300 119.914 0.009 0.000 2.760 424 V HA 0.508 4.629 4.120 0.002 0.000 0.309 424 V C -0.796 175.310 176.094 0.019 0.000 1.077 424 V CA -0.752 61.556 62.300 0.012 0.000 0.910 424 V CB 2.001 33.831 31.823 0.012 0.000 1.008 424 V HN 0.853 nan 8.190 nan 0.000 0.424 425 V N 3.259 123.185 119.914 0.019 0.000 2.495 425 V HA 0.612 4.733 4.120 0.002 0.000 0.298 425 V C 0.019 176.130 176.094 0.030 0.000 1.031 425 V CA -0.179 62.140 62.300 0.031 0.000 0.871 425 V CB 2.299 34.139 31.823 0.028 0.000 0.988 425 V HN 0.978 nan 8.190 nan 0.000 0.432 426 T N 4.476 119.051 114.554 0.035 0.000 2.824 426 T HA 0.700 5.051 4.350 0.002 0.000 0.282 426 T C -0.692 174.029 174.700 0.036 0.000 0.993 426 T CA -0.416 61.702 62.100 0.029 0.000 0.967 426 T CB 1.644 70.523 68.868 0.020 0.000 0.960 426 T HN 0.367 nan 8.240 nan 0.000 0.441 427 V N 2.491 122.427 119.914 0.036 0.000 2.709 427 V HA 0.679 4.801 4.120 0.002 0.000 0.308 427 V C -0.391 175.721 176.094 0.029 0.000 1.062 427 V CA -0.841 61.483 62.300 0.040 0.000 0.901 427 V CB 2.258 34.117 31.823 0.060 0.000 1.003 427 V HN 0.947 nan 8.190 nan 0.000 0.425 428 S N 1.738 117.441 115.700 0.005 0.000 2.536 428 S HA 0.929 5.400 4.470 0.002 0.000 0.298 428 S C 0.085 174.687 174.600 0.003 0.000 1.083 428 S CA -0.499 57.712 58.200 0.018 0.000 0.995 428 S CB 2.101 65.315 63.200 0.024 0.000 1.058 428 S HN 1.211 nan 8.310 nan 0.000 0.488 429 G N 0.810 109.642 108.800 0.053 0.000 2.619 429 G HA2 0.744 4.706 3.960 0.002 0.000 0.296 429 G HA3 0.744 4.706 3.960 0.002 0.000 0.296 429 G C -1.034 173.920 174.900 0.089 0.000 1.334 429 G CA -0.708 44.406 45.100 0.023 0.000 0.934 429 G HN 0.697 nan 8.290 nan 0.000 0.476 430 T N -1.025 113.497 114.554 -0.054 0.000 2.907 430 T HA 0.748 5.099 4.350 0.002 0.000 0.290 430 T C -0.467 174.008 174.700 -0.376 0.000 1.066 430 T CA -0.766 61.303 62.100 -0.050 0.000 1.012 430 T CB 1.728 70.564 68.868 -0.052 0.000 1.184 430 T HN 0.426 nan 8.240 nan 0.000 0.522 431 L N 1.516 122.383 121.223 -0.594 0.000 2.346 431 L HA 0.819 5.160 4.340 0.002 0.000 0.274 431 L C -1.182 175.582 176.870 -0.176 0.000 1.007 431 L CA -1.252 53.241 54.840 -0.579 0.000 0.818 431 L CB 1.395 42.929 42.059 -0.874 0.000 1.284 431 L HN 0.907 nan 8.230 nan 0.000 0.424 432 Y N -0.061 120.148 120.300 -0.152 0.000 2.624 432 Y HA 0.853 5.404 4.550 0.002 0.000 0.334 432 Y C -0.212 175.660 175.900 -0.048 0.000 1.155 432 Y CA -0.929 57.138 58.100 -0.055 0.000 1.046 432 Y CB 1.301 39.758 38.460 -0.005 0.000 1.316 432 Y HN 0.883 nan 8.280 nan 0.000 0.457 433 G N 1.304 110.232 108.800 0.212 0.000 2.555 433 G HA2 0.006 3.968 3.960 0.002 0.000 0.686 433 G HA3 0.006 3.968 3.960 0.002 0.000 0.686 433 G C -2.353 172.574 174.900 0.046 0.000 1.275 433 G CA -0.549 44.639 45.100 0.147 0.000 0.871 433 G HN 0.692 nan 8.290 nan 0.000 0.603 434 P HA -0.117 nan 4.420 nan 0.000 0.218 434 P C 1.174 178.468 177.300 -0.010 0.000 1.148 434 P CA 1.520 64.631 63.100 0.017 0.000 0.822 434 P CB 0.143 31.854 31.700 0.018 0.000 0.784 435 Q N -1.016 118.766 119.800 -0.031 0.000 2.356 435 Q HA 0.200 4.542 4.340 0.002 0.000 0.205 435 Q C 1.000 176.937 176.000 -0.104 0.000 0.901 435 Q CA -0.303 55.465 55.803 -0.059 0.000 0.938 435 Q CB 0.058 28.759 28.738 -0.061 0.000 1.081 435 Q HN 0.313 nan 8.270 nan 0.000 0.517 436 L N 2.342 123.490 121.223 -0.125 0.000 3.601 436 L HA -0.193 4.149 4.340 0.002 0.000 0.469 436 L C -0.269 176.429 176.870 -0.287 0.000 1.294 436 L CA 0.174 54.892 54.840 -0.203 0.000 0.829 436 L CB -2.121 39.832 42.059 -0.176 0.000 1.628 436 L HN 0.110 nan 8.230 nan 0.000 0.868 437 S N -0.736 114.763 115.700 -0.334 0.000 2.549 437 S HA 0.338 4.809 4.470 0.002 0.000 0.283 437 S C 0.213 174.554 174.600 -0.433 0.000 1.320 437 S CA -0.688 57.306 58.200 -0.342 0.000 1.058 437 S CB 1.265 64.273 63.200 -0.321 0.000 0.882 437 S HN 0.390 nan 8.310 nan 0.000 0.498 438 Q N 1.942 121.553 119.800 -0.315 0.000 2.288 438 Q HA 0.322 4.663 4.340 0.002 0.000 0.258 438 Q C -0.439 175.422 176.000 -0.232 0.000 0.957 438 Q CA -0.147 55.480 55.803 -0.293 0.000 0.919 438 Q CB 0.637 29.252 28.738 -0.205 0.000 1.185 438 Q HN 0.405 nan 8.270 nan 0.000 0.408 439 K N 2.960 123.225 120.400 -0.226 0.000 2.397 439 K HA 0.448 4.770 4.320 0.002 0.000 0.253 439 K C -0.663 175.896 176.600 -0.070 0.000 0.932 439 K CA -0.628 55.586 56.287 -0.121 0.000 0.795 439 K CB 1.885 34.323 32.500 -0.103 0.000 1.159 439 K HN 0.550 nan 8.250 nan 0.000 0.424 440 I N 2.608 123.182 120.570 0.007 0.000 2.416 440 I HA 0.005 4.176 4.170 0.002 0.000 0.288 440 I C 1.422 177.457 176.117 -0.137 0.000 1.051 440 I CA -0.127 61.182 61.300 0.016 0.000 1.375 440 I CB 0.757 38.858 38.000 0.167 0.000 1.407 440 I HN 0.425 nan 8.210 nan 0.000 0.516 441 V N 1.860 121.589 119.914 -0.309 0.000 3.548 441 V HA 0.331 4.452 4.120 0.002 0.000 0.279 441 V C 0.111 175.822 176.094 -0.638 0.000 1.446 441 V CA 0.018 62.069 62.300 -0.415 0.000 1.023 441 V CB 0.072 31.815 31.823 -0.133 0.000 0.820 441 V HN 0.833 nan 8.190 nan 0.000 0.438 442 Q N 0.212 119.642 119.800 -0.617 0.000 2.386 442 Q HA 0.634 4.976 4.340 0.002 0.000 0.274 442 Q C -2.283 173.598 176.000 -0.200 0.000 1.011 442 Q CA -0.620 54.895 55.803 -0.481 0.000 0.867 442 Q CB 3.157 31.770 28.738 -0.207 0.000 1.409 442 Q HN 0.508 nan 8.270 nan 0.000 0.395 443 I N 3.537 124.116 120.570 0.015 0.000 2.478 443 I HA 0.293 4.464 4.170 0.002 0.000 0.287 443 I C -0.588 175.564 176.117 0.058 0.000 1.042 443 I CA -0.787 60.590 61.300 0.128 0.000 1.067 443 I CB 1.860 40.025 38.000 0.276 0.000 1.233 443 I HN 0.726 nan 8.210 nan 0.000 0.431 444 N N 5.307 124.025 118.700 0.029 0.000 2.686 444 N HA -0.210 4.532 4.740 0.002 0.000 0.261 444 N C 0.958 176.450 175.510 -0.029 0.000 1.001 444 N CA 1.382 54.443 53.050 0.017 0.000 0.764 444 N CB -0.689 37.834 38.487 0.060 0.000 0.898 444 N HN 1.192 nan 8.380 nan 0.000 0.544 445 G N -1.298 107.440 108.800 -0.103 0.000 2.184 445 G HA2 -0.389 3.572 3.960 0.002 0.000 0.264 445 G HA3 -0.389 3.572 3.960 0.002 0.000 0.264 445 G C 0.153 174.884 174.900 -0.283 0.000 0.975 445 G CA 0.774 45.776 45.100 -0.163 0.000 0.642 445 G HN 0.576 nan 8.290 nan 0.000 0.536 446 R N 0.246 120.614 120.500 -0.220 0.000 2.346 446 R HA 0.686 5.027 4.340 0.002 0.000 0.311 446 R C -0.224 175.960 176.300 -0.193 0.000 0.983 446 R CA -0.554 55.480 56.100 -0.110 0.000 0.880 446 R CB 0.753 31.108 30.300 0.093 0.000 1.100 446 R HN 0.562 nan 8.270 nan 0.000 0.453 447 H N 2.369 121.518 119.070 0.131 0.000 2.499 447 H HA 0.647 5.204 4.556 0.002 0.000 0.340 447 H C -0.469 174.957 175.328 0.162 0.000 1.148 447 H CA -0.403 55.642 56.048 -0.005 0.000 1.215 447 H CB 1.065 30.827 29.762 0.001 0.000 1.529 447 H HN 0.579 nan 8.280 nan 0.000 0.510 448 F N -1.678 118.390 119.950 0.196 0.000 3.332 448 F HA 0.364 4.892 4.527 0.002 0.000 0.327 448 F C -1.819 174.067 175.800 0.143 0.000 1.128 448 F CA -1.140 56.939 58.000 0.132 0.000 0.854 448 F CB 1.284 40.332 39.000 0.080 0.000 1.500 448 F HN 0.349 nan 8.300 nan 0.000 0.485 449 D N 1.818 122.456 120.400 0.397 0.000 2.328 449 D HA 0.407 5.048 4.640 0.002 0.000 0.243 449 D C -1.896 174.573 176.300 0.283 0.000 1.324 449 D CA 0.137 54.296 54.000 0.265 0.000 0.966 449 D CB 1.312 42.247 40.800 0.225 0.000 1.324 449 D HN 0.621 nan 8.370 nan 0.000 0.549 450 L N 2.874 124.282 121.223 0.308 0.000 2.385 450 L HA 0.484 4.825 4.340 0.002 0.000 0.273 450 L C 0.660 177.598 176.870 0.113 0.000 0.990 450 L CA -0.860 54.106 54.840 0.208 0.000 0.821 450 L CB 2.263 44.459 42.059 0.228 0.000 1.279 450 L HN 0.170 nan 8.230 nan 0.000 0.412 451 R N 1.854 122.384 120.500 0.051 0.000 2.481 451 R HA 0.002 4.343 4.340 0.002 0.000 0.291 451 R C 0.268 176.572 176.300 0.008 0.000 0.934 451 R CA -0.007 56.093 56.100 0.000 0.000 1.116 451 R CB 0.309 30.602 30.300 -0.011 0.000 0.895 451 R HN 0.664 nan 8.270 nan 0.000 0.410 452 A N 5.009 127.816 122.820 -0.021 0.000 2.922 452 A HA 0.124 4.446 4.320 0.002 0.000 0.298 452 A C 0.101 177.673 177.584 -0.020 0.000 1.588 452 A CA -0.108 51.923 52.037 -0.011 0.000 1.288 452 A CB -0.182 18.801 19.000 -0.028 0.000 1.130 452 A HN 0.791 nan 8.150 nan 0.000 0.557 453 Q N 0.907 120.702 119.800 -0.008 0.000 2.633 453 Q HA 0.579 4.921 4.340 0.002 0.000 0.289 453 Q C 0.086 176.083 176.000 -0.005 0.000 0.940 453 Q CA -0.422 55.373 55.803 -0.012 0.000 0.785 453 Q CB 0.466 29.191 28.738 -0.022 0.000 1.467 453 Q HN 1.963 nan 8.270 nan 0.000 0.401 454 G N 0.493 109.289 108.800 -0.006 0.000 2.697 454 G HA2 -0.205 3.756 3.960 0.002 0.000 0.240 454 G HA3 -0.205 3.756 3.960 0.002 0.000 0.240 454 G C -0.780 174.119 174.900 -0.002 0.000 1.346 454 G CA -0.186 44.911 45.100 -0.005 0.000 0.887 454 G HN 0.688 nan 8.290 nan 0.000 0.569 455 I N 2.213 122.781 120.570 -0.004 0.000 2.337 455 I HA 0.264 4.435 4.170 0.002 0.000 0.291 455 I C 0.511 176.625 176.117 -0.006 0.000 1.046 455 I CA -0.086 61.212 61.300 -0.003 0.000 1.324 455 I CB 0.946 38.943 38.000 -0.005 0.000 1.409 455 I HN 0.397 nan 8.210 nan 0.000 0.494 456 N N 6.500 125.199 118.700 -0.002 0.000 2.342 456 N HA 0.435 5.176 4.740 0.002 0.000 0.293 456 N C -1.207 174.299 175.510 -0.008 0.000 1.026 456 N CA -0.754 52.292 53.050 -0.006 0.000 0.857 456 N CB 2.681 41.169 38.487 0.002 0.000 1.256 456 N HN 0.282 nan 8.380 nan 0.000 0.484 457 L N 3.425 124.636 121.223 -0.019 0.000 2.295 457 L HA 0.621 4.962 4.340 0.002 0.000 0.285 457 L C -1.124 175.733 176.870 -0.022 0.000 1.035 457 L CA -0.275 54.553 54.840 -0.020 0.000 0.806 457 L CB 0.727 42.767 42.059 -0.031 0.000 1.214 457 L HN 0.435 nan 8.230 nan 0.000 0.426 458 I N 6.223 126.792 120.570 -0.002 0.000 2.498 458 I HA 0.487 4.658 4.170 0.002 0.000 0.290 458 I C -0.816 175.330 176.117 0.049 0.000 1.032 458 I CA -0.293 61.020 61.300 0.022 0.000 1.073 458 I CB 1.866 39.902 38.000 0.060 0.000 1.251 458 I HN 0.502 nan 8.210 nan 0.000 0.426 459 I N 5.094 125.701 120.570 0.062 0.000 2.499 459 I HA 0.348 4.519 4.170 0.002 0.000 0.288 459 I C -1.153 175.059 176.117 0.159 0.000 1.048 459 I CA -0.728 60.621 61.300 0.082 0.000 1.062 459 I CB 1.693 39.683 38.000 -0.016 0.000 1.238 459 I HN 0.470 nan 8.210 nan 0.000 0.426 460 H N 5.716 124.668 119.070 -0.195 0.000 2.476 460 H HA 0.642 5.199 4.556 0.002 0.000 0.328 460 H C -1.035 173.926 175.328 -0.612 0.000 1.073 460 H CA -0.513 55.257 56.048 -0.464 0.000 1.229 460 H CB 1.082 30.324 29.762 -0.867 0.000 1.432 460 H HN 0.501 nan 8.280 nan 0.000 0.477 461 Y N -0.935 119.169 120.300 -0.326 0.000 2.705 461 Y HA 0.534 5.085 4.550 0.002 0.000 0.332 461 Y C -0.893 175.078 175.900 0.117 0.000 1.221 461 Y CA -1.074 56.962 58.100 -0.107 0.000 1.059 461 Y CB 0.192 38.605 38.460 -0.079 0.000 1.298 461 Y HN 0.253 nan 8.280 nan 0.000 0.459 462 V N -0.251 119.789 119.914 0.210 0.000 3.473 462 V HA 0.113 4.235 4.120 0.002 0.000 0.253 462 V C -0.553 175.605 176.094 0.106 0.000 1.340 462 V CA 0.948 63.323 62.300 0.125 0.000 1.103 462 V CB 0.483 32.411 31.823 0.175 0.000 0.881 462 V HN 0.808 nan 8.190 nan 0.000 0.451 463 D N 0.515 121.040 120.400 0.208 0.000 2.347 463 D HA 0.229 4.871 4.640 0.002 0.000 0.235 463 D C 1.205 177.649 176.300 0.240 0.000 1.149 463 D CA 0.063 54.165 54.000 0.169 0.000 0.850 463 D CB 0.918 41.798 40.800 0.134 0.000 1.061 463 D HN 0.107 nan 8.370 nan 0.000 0.487 464 R N 3.119 123.710 120.500 0.151 0.000 2.087 464 R HA 0.156 4.498 4.340 0.002 0.000 0.213 464 R C -1.438 174.943 176.300 0.136 0.000 1.137 464 R CA 0.020 56.221 56.100 0.169 0.000 1.022 464 R CB -1.246 29.086 30.300 0.054 0.000 0.920 464 R HN 0.409 nan 8.270 nan 0.000 0.451 465 P HA 0.076 nan 4.420 nan 0.000 0.267 465 P C 0.296 177.623 177.300 0.045 0.000 1.205 465 P CA 0.942 64.074 63.100 0.053 0.000 0.765 465 P CB 0.547 32.269 31.700 0.036 0.000 0.828 466 G N 2.810 111.631 108.800 0.034 0.000 2.166 466 G HA2 -0.334 3.627 3.960 0.002 0.000 0.260 466 G HA3 -0.334 3.627 3.960 0.002 0.000 0.260 466 G C 1.126 176.030 174.900 0.006 0.000 0.986 466 G CA 0.458 45.568 45.100 0.017 0.000 0.683 466 G HN 0.681 nan 8.290 nan 0.000 0.527 467 A N -0.576 122.261 122.820 0.027 0.000 1.898 467 A HA 0.242 4.563 4.320 0.002 0.000 0.216 467 A C 2.373 179.906 177.584 -0.085 0.000 1.181 467 A CA 2.129 54.148 52.037 -0.031 0.000 0.620 467 A CB -0.255 18.771 19.000 0.043 0.000 0.819 467 A HN 1.264 nan 8.150 nan 0.000 0.442 468 L N 0.388 121.593 121.223 -0.031 0.000 2.013 468 L HA -0.110 4.232 4.340 0.002 0.000 0.212 468 L C 2.380 179.222 176.870 -0.048 0.000 1.073 468 L CA 2.458 57.273 54.840 -0.041 0.000 0.753 468 L CB -1.297 40.756 42.059 -0.010 0.000 0.890 468 L HN 0.314 nan 8.230 nan 0.000 0.432 469 G N -0.913 107.867 108.800 -0.033 0.000 2.421 469 G HA2 -0.288 3.673 3.960 0.002 0.000 0.216 469 G HA3 -0.288 3.673 3.960 0.002 0.000 0.216 469 G C 1.700 176.574 174.900 -0.043 0.000 1.171 469 G CA 0.930 46.011 45.100 -0.031 0.000 0.775 469 G HN 0.436 nan 8.290 nan 0.000 0.543 470 K N -0.097 120.271 120.400 -0.053 0.000 2.032 470 K HA -0.011 4.310 4.320 0.002 0.000 0.209 470 K C 2.456 179.008 176.600 -0.079 0.000 1.048 470 K CA 1.195 57.444 56.287 -0.062 0.000 0.927 470 K CB -0.262 32.196 32.500 -0.070 0.000 0.712 470 K HN 0.344 nan 8.250 nan 0.000 0.441 471 I N 0.380 120.884 120.570 -0.110 0.000 2.163 471 I HA -0.183 3.988 4.170 0.002 0.000 0.240 471 I C 2.540 178.608 176.117 -0.081 0.000 1.081 471 I CA 1.505 62.734 61.300 -0.119 0.000 1.353 471 I CB -0.666 37.234 38.000 -0.167 0.000 1.054 471 I HN 0.285 nan 8.210 nan 0.000 0.407 472 G N -0.083 108.675 108.800 -0.069 0.000 2.432 472 G HA2 -0.204 3.758 3.960 0.002 0.000 0.219 472 G HA3 -0.204 3.758 3.960 0.002 0.000 0.219 472 G C 1.651 176.526 174.900 -0.041 0.000 1.135 472 G CA 1.430 46.500 45.100 -0.050 0.000 0.767 472 G HN 0.312 nan 8.290 nan 0.000 0.550 473 T N 1.108 115.638 114.554 -0.041 0.000 2.812 473 T HA 0.050 4.401 4.350 0.002 0.000 0.264 473 T C 2.429 177.109 174.700 -0.033 0.000 1.042 473 T CA 0.581 62.662 62.100 -0.032 0.000 1.140 473 T CB -0.149 68.702 68.868 -0.029 0.000 0.870 473 T HN 0.145 nan 8.240 nan 0.000 0.445 474 L N 0.507 121.706 121.223 -0.040 0.000 2.012 474 L HA -0.092 4.249 4.340 0.002 0.000 0.210 474 L C 2.419 179.267 176.870 -0.035 0.000 1.073 474 L CA 0.789 55.606 54.840 -0.038 0.000 0.748 474 L CB -0.534 41.498 42.059 -0.046 0.000 0.891 474 L HN 0.207 nan 8.230 nan 0.000 0.431 475 L N -0.081 121.118 121.223 -0.040 0.000 2.046 475 L HA -0.119 4.222 4.340 0.002 0.000 0.208 475 L C 2.523 179.376 176.870 -0.028 0.000 1.077 475 L CA 2.145 56.964 54.840 -0.035 0.000 0.747 475 L CB -1.793 40.242 42.059 -0.040 0.000 0.896 475 L HN 0.246 nan 8.230 nan 0.000 0.432 476 G N -2.707 106.076 108.800 -0.027 0.000 2.511 476 G HA2 -0.142 3.819 3.960 0.002 0.000 0.217 476 G HA3 -0.142 3.819 3.960 0.002 0.000 0.217 476 G C 1.521 176.410 174.900 -0.019 0.000 1.133 476 G CA 0.881 45.968 45.100 -0.022 0.000 0.792 476 G HN 0.355 nan 8.290 nan 0.000 0.539 477 T N 1.440 115.982 114.554 -0.020 0.000 2.904 477 T HA 0.095 4.447 4.350 0.002 0.000 0.267 477 T C 2.594 177.284 174.700 -0.017 0.000 1.059 477 T CA 1.073 63.163 62.100 -0.018 0.000 1.137 477 T CB -0.122 68.735 68.868 -0.018 0.000 0.879 477 T HN 0.318 nan 8.240 nan 0.000 0.467 478 A N 0.405 123.214 122.820 -0.019 0.000 2.239 478 A HA 0.463 4.785 4.320 0.002 0.000 0.209 478 A C 1.963 179.538 177.584 -0.015 0.000 1.171 478 A CA 0.937 52.963 52.037 -0.017 0.000 0.768 478 A CB -0.895 18.093 19.000 -0.019 0.000 0.790 478 A HN 0.701 nan 8.150 nan 0.000 0.478 479 G N -1.811 106.979 108.800 -0.015 0.000 2.159 479 G HA2 -0.208 3.753 3.960 0.002 0.000 0.256 479 G HA3 -0.208 3.753 3.960 0.002 0.000 0.256 479 G C 0.148 175.040 174.900 -0.014 0.000 0.977 479 G CA 0.157 45.249 45.100 -0.013 0.000 0.652 479 G HN 0.819 nan 8.290 nan 0.000 0.531 480 V N 1.930 121.834 119.914 -0.017 0.000 2.432 480 V HA 0.285 4.406 4.120 0.002 0.000 0.271 480 V C 0.707 176.790 176.094 -0.018 0.000 1.046 480 V CA -0.958 61.331 62.300 -0.017 0.000 0.945 480 V CB 1.192 33.003 31.823 -0.020 0.000 0.992 480 V HN 0.357 nan 8.190 nan 0.000 0.471 481 N N 4.244 122.934 118.700 -0.016 0.000 2.530 481 N HA 0.374 5.115 4.740 0.002 0.000 0.273 481 N C -0.537 174.962 175.510 -0.018 0.000 1.173 481 N CA -0.104 52.937 53.050 -0.015 0.000 0.967 481 N CB 1.642 40.122 38.487 -0.012 0.000 1.109 481 N HN 0.535 nan 8.380 nan 0.000 0.453 482 I N 2.690 123.249 120.570 -0.019 0.000 2.328 482 I HA 0.100 4.271 4.170 0.002 0.000 0.287 482 I C 1.400 177.507 176.117 -0.017 0.000 1.012 482 I CA -0.219 61.068 61.300 -0.022 0.000 1.195 482 I CB 1.387 39.371 38.000 -0.026 0.000 1.350 482 I HN 0.398 nan 8.210 nan 0.000 0.464 483 Q N 4.300 124.091 119.800 -0.016 0.000 2.123 483 Q HA 0.221 4.562 4.340 0.002 0.000 0.196 483 Q C 0.501 176.495 176.000 -0.009 0.000 0.958 483 Q CA 0.716 56.513 55.803 -0.011 0.000 0.841 483 Q CB 0.421 29.153 28.738 -0.009 0.000 0.915 483 Q HN 0.799 nan 8.270 nan 0.000 0.455 484 A N -0.551 122.261 122.820 -0.014 0.000 2.594 484 A HA 0.846 5.167 4.320 0.002 0.000 0.291 484 A C -1.779 175.785 177.584 -0.034 0.000 1.105 484 A CA -0.156 51.873 52.037 -0.013 0.000 0.694 484 A CB 1.714 20.713 19.000 -0.001 0.000 1.291 484 A HN 0.131 nan 8.150 nan 0.000 0.410 485 A N 0.281 123.075 122.820 -0.043 0.000 2.589 485 A HA 0.759 5.080 4.320 0.002 0.000 0.296 485 A C -1.532 175.986 177.584 -0.110 0.000 1.062 485 A CA -0.349 51.642 52.037 -0.077 0.000 0.686 485 A CB 1.828 20.793 19.000 -0.058 0.000 1.282 485 A HN 1.077 nan 8.150 nan 0.000 0.404 486 Q N 1.012 120.701 119.800 -0.185 0.000 2.271 486 Q HA 0.635 4.977 4.340 0.002 0.000 0.268 486 Q C -2.276 173.599 176.000 -0.208 0.000 1.021 486 Q CA -0.551 55.099 55.803 -0.255 0.000 0.802 486 Q CB 1.771 30.133 28.738 -0.626 0.000 1.282 486 Q HN 1.491 nan 8.270 nan 0.000 0.431 487 L N 0.937 122.091 121.223 -0.116 0.000 2.506 487 L HA 0.928 5.269 4.340 0.002 0.000 0.257 487 L C -1.513 175.338 176.870 -0.032 0.000 0.964 487 L CA -0.328 54.474 54.840 -0.063 0.000 0.836 487 L CB 2.253 44.305 42.059 -0.011 0.000 1.384 487 L HN 0.614 nan 8.230 nan 0.000 0.410 488 S N -0.297 115.384 115.700 -0.032 0.000 2.543 488 S HA 0.554 5.025 4.470 0.002 0.000 0.274 488 S C -1.271 173.296 174.600 -0.055 0.000 1.149 488 S CA -0.554 57.632 58.200 -0.024 0.000 0.866 488 S CB 1.389 64.583 63.200 -0.009 0.000 1.111 488 S HN 1.083 nan 8.310 nan 0.000 0.457 489 E N 1.323 121.497 120.200 -0.044 0.000 2.259 489 E HA 0.317 4.668 4.350 0.002 0.000 0.281 489 E C -1.102 175.464 176.600 -0.058 0.000 1.027 489 E CA -0.633 55.724 56.400 -0.071 0.000 0.838 489 E CB 0.227 29.898 29.700 -0.047 0.000 1.066 489 E HN 0.523 nan 8.360 nan 0.000 0.401 490 D N 2.419 122.774 120.400 -0.076 0.000 2.601 490 D HA -0.059 4.582 4.640 0.002 0.000 0.229 490 D C 0.972 177.259 176.300 -0.022 0.000 1.140 490 D CA 0.762 54.736 54.000 -0.044 0.000 0.862 490 D CB 0.913 41.692 40.800 -0.035 0.000 1.192 490 D HN 0.656 nan 8.370 nan 0.000 0.480 491 A N 2.615 125.430 122.820 -0.009 0.000 1.898 491 A HA -0.112 4.210 4.320 0.002 0.000 0.216 491 A C 0.709 178.292 177.584 -0.003 0.000 1.181 491 A CA 1.235 53.272 52.037 -0.001 0.000 0.620 491 A CB 0.003 19.007 19.000 0.007 0.000 0.819 491 A HN 0.524 nan 8.150 nan 0.000 0.442 492 E N -1.984 118.214 120.200 -0.004 0.000 2.218 492 E HA 0.539 4.890 4.350 0.002 0.000 0.263 492 E C -0.079 176.515 176.600 -0.011 0.000 0.879 492 E CA 0.658 57.054 56.400 -0.006 0.000 0.762 492 E CB 1.662 31.360 29.700 -0.004 0.000 1.166 492 E HN 0.850 nan 8.360 nan 0.000 0.415 493 G N 3.242 112.033 108.800 -0.015 0.000 2.371 493 G HA2 -0.081 3.880 3.960 0.002 0.000 0.663 493 G HA3 -0.081 3.880 3.960 0.002 0.000 0.663 493 G C -2.080 172.807 174.900 -0.022 0.000 1.311 493 G CA -0.509 44.579 45.100 -0.020 0.000 0.985 493 G HN 0.452 nan 8.290 nan 0.000 0.566 494 P HA 0.225 nan 4.420 nan 0.000 0.240 494 P C 1.212 178.494 177.300 -0.031 0.000 1.190 494 P CA 1.324 64.412 63.100 -0.019 0.000 0.781 494 P CB 0.166 31.860 31.700 -0.010 0.000 0.931 495 G N 0.335 109.122 108.800 -0.022 0.000 2.599 495 G HA2 0.502 4.464 3.960 0.002 0.000 0.264 495 G HA3 0.502 4.464 3.960 0.002 0.000 0.264 495 G C -0.685 174.103 174.900 -0.187 0.000 1.200 495 G CA 0.193 45.276 45.100 -0.028 0.000 0.896 495 G HN 0.429 nan 8.290 nan 0.000 0.536 496 A N -0.696 121.874 122.820 -0.417 0.000 2.609 496 A HA 0.924 5.245 4.320 0.002 0.000 0.291 496 A C -0.219 177.004 177.584 -0.601 0.000 1.096 496 A CA 0.035 51.746 52.037 -0.543 0.000 0.684 496 A CB 1.620 20.180 19.000 -0.733 0.000 1.282 496 A HN 1.768 nan 8.150 nan 0.000 0.412 497 T N -1.261 113.097 114.554 -0.327 0.000 2.900 497 T HA 0.746 5.097 4.350 0.002 0.000 0.303 497 T C -0.817 173.857 174.700 -0.043 0.000 1.142 497 T CA -0.420 61.533 62.100 -0.244 0.000 1.007 497 T CB 1.348 69.941 68.868 -0.458 0.000 1.156 497 T HN 1.687 nan 8.240 nan 0.000 0.490 498 I N 1.812 122.375 120.570 -0.012 0.000 2.775 498 I HA 0.679 4.850 4.170 0.002 0.000 0.295 498 I C -2.149 173.914 176.117 -0.091 0.000 1.287 498 I CA -1.450 59.828 61.300 -0.037 0.000 1.029 498 I CB 2.078 40.090 38.000 0.021 0.000 1.282 498 I HN 0.913 nan 8.210 nan 0.000 0.426 499 L N 7.678 128.808 121.223 -0.155 0.000 2.381 499 L HA 0.677 5.018 4.340 0.002 0.000 0.274 499 L C -1.950 174.843 176.870 -0.129 0.000 0.988 499 L CA -0.561 54.192 54.840 -0.145 0.000 0.824 499 L CB 1.657 43.587 42.059 -0.215 0.000 1.263 499 L HN 0.573 nan 8.230 nan 0.000 0.410 500 L N 4.835 126.008 121.223 -0.082 0.000 2.386 500 L HA 0.585 4.927 4.340 0.002 0.000 0.271 500 L C -0.293 176.549 176.870 -0.045 0.000 0.993 500 L CA -0.449 54.351 54.840 -0.066 0.000 0.819 500 L CB 1.774 43.797 42.059 -0.059 0.000 1.294 500 L HN 0.537 nan 8.230 nan 0.000 0.414 501 R N 3.054 123.532 120.500 -0.036 0.000 2.254 501 R HA 0.708 5.049 4.340 0.002 0.000 0.318 501 R C -1.289 174.999 176.300 -0.021 0.000 1.031 501 R CA -0.374 55.713 56.100 -0.022 0.000 0.905 501 R CB 0.583 30.875 30.300 -0.013 0.000 1.050 501 R HN 0.653 nan 8.270 nan 0.000 0.456 502 L N 2.836 124.048 121.223 -0.018 0.000 2.313 502 L HA 0.317 4.658 4.340 0.002 0.000 0.268 502 L C 0.895 177.757 176.870 -0.013 0.000 1.010 502 L CA -0.826 54.003 54.840 -0.018 0.000 0.814 502 L CB 1.741 43.789 42.059 -0.019 0.000 1.304 502 L HN 0.708 nan 8.230 nan 0.000 0.441 503 D N -0.741 119.651 120.400 -0.013 0.000 2.350 503 D HA -0.017 4.624 4.640 0.002 0.000 0.213 503 D C 0.092 176.386 176.300 -0.009 0.000 1.031 503 D CA 0.259 54.252 54.000 -0.010 0.000 0.861 503 D CB 0.522 41.316 40.800 -0.010 0.000 0.926 503 D HN 0.656 nan 8.370 nan 0.000 0.520 504 Q N -0.987 118.806 119.800 -0.010 0.000 2.630 504 Q HA 0.318 4.659 4.340 0.002 0.000 0.295 504 Q C -1.442 174.552 176.000 -0.009 0.000 0.944 504 Q CA -0.968 54.830 55.803 -0.009 0.000 0.766 504 Q CB 0.795 29.528 28.738 -0.009 0.000 1.471 504 Q HN -0.179 nan 8.270 nan 0.000 0.416 505 D N 0.034 120.429 120.400 -0.007 0.000 2.363 505 D HA 0.274 4.915 4.640 0.002 0.000 0.240 505 D C -0.851 175.442 176.300 -0.010 0.000 1.236 505 D CA -0.169 53.826 54.000 -0.007 0.000 0.927 505 D CB 1.297 42.095 40.800 -0.004 0.000 1.150 505 D HN 0.336 nan 8.370 nan 0.000 0.458 506 V N 3.495 123.403 119.914 -0.012 0.000 2.347 506 V HA 0.309 4.430 4.120 0.002 0.000 0.280 506 V C -1.981 174.105 176.094 -0.013 0.000 1.021 506 V CA -1.573 60.718 62.300 -0.015 0.000 0.847 506 V CB 1.175 32.986 31.823 -0.020 0.000 0.990 506 V HN 0.570 nan 8.190 nan 0.000 0.444 507 P HA 0.026 nan 4.420 nan 0.000 0.267 507 P C 0.559 177.852 177.300 -0.012 0.000 1.201 507 P CA 0.123 63.217 63.100 -0.011 0.000 0.775 507 P CB 0.729 32.422 31.700 -0.012 0.000 0.854 508 D N 1.104 121.499 120.400 -0.009 0.000 2.117 508 D HA -0.157 4.484 4.640 0.002 0.000 0.197 508 D C 1.320 177.613 176.300 -0.011 0.000 0.987 508 D CA 1.350 55.344 54.000 -0.009 0.000 0.829 508 D CB -0.272 40.523 40.800 -0.007 0.000 0.961 508 D HN 0.528 nan 8.370 nan 0.000 0.460 509 D N 0.972 121.365 120.400 -0.012 0.000 2.097 509 D HA -0.146 4.495 4.640 0.002 0.000 0.195 509 D C 2.270 178.560 176.300 -0.016 0.000 0.989 509 D CA 0.785 54.777 54.000 -0.013 0.000 0.827 509 D CB -0.981 39.812 40.800 -0.012 0.000 0.966 509 D HN 0.227 nan 8.370 nan 0.000 0.456 510 V N 1.298 121.201 119.914 -0.018 0.000 2.407 510 V HA -0.245 3.876 4.120 0.002 0.000 0.248 510 V C 2.476 178.553 176.094 -0.027 0.000 1.055 510 V CA 1.552 63.838 62.300 -0.023 0.000 1.049 510 V CB -0.396 31.413 31.823 -0.023 0.000 0.662 510 V HN 0.048 nan 8.190 nan 0.000 0.455 511 R N -0.164 120.322 120.500 -0.024 0.000 2.091 511 R HA -0.140 4.201 4.340 0.002 0.000 0.238 511 R C 2.364 178.649 176.300 -0.025 0.000 1.136 511 R CA 2.056 58.140 56.100 -0.026 0.000 0.959 511 R CB -1.060 29.228 30.300 -0.019 0.000 0.856 511 R HN 0.570 nan 8.270 nan 0.000 0.437 512 T N 1.018 115.561 114.554 -0.018 0.000 2.746 512 T HA -0.111 4.240 4.350 0.002 0.000 0.267 512 T C 2.000 176.689 174.700 -0.018 0.000 1.039 512 T CA 1.373 63.464 62.100 -0.014 0.000 1.142 512 T CB -0.236 68.626 68.868 -0.010 0.000 0.866 512 T HN 0.396 nan 8.240 nan 0.000 0.444 513 A N 1.193 124.000 122.820 -0.022 0.000 1.883 513 A HA -0.055 4.266 4.320 0.002 0.000 0.217 513 A C 2.281 179.844 177.584 -0.036 0.000 1.186 513 A CA 1.344 53.366 52.037 -0.025 0.000 0.624 513 A CB -0.810 18.175 19.000 -0.025 0.000 0.822 513 A HN 0.525 nan 8.150 nan 0.000 0.444 514 I N -0.330 120.212 120.570 -0.047 0.000 2.179 514 I HA -0.270 3.902 4.170 0.002 0.000 0.242 514 I C 3.009 179.083 176.117 -0.073 0.000 1.088 514 I CA 1.018 62.274 61.300 -0.072 0.000 1.357 514 I CB -0.428 37.521 38.000 -0.084 0.000 1.051 514 I HN 0.357 nan 8.210 nan 0.000 0.409 515 A N 0.909 123.699 122.820 -0.049 0.000 1.892 515 A HA -0.258 4.063 4.320 0.002 0.000 0.218 515 A C 2.549 180.126 177.584 -0.011 0.000 1.188 515 A CA 2.269 54.289 52.037 -0.029 0.000 0.631 515 A CB -1.012 17.981 19.000 -0.012 0.000 0.822 515 A HN 0.454 nan 8.150 nan 0.000 0.447 516 A N -0.313 122.501 122.820 -0.011 0.000 1.877 516 A HA 0.142 4.463 4.320 0.002 0.000 0.216 516 A C 2.535 180.116 177.584 -0.005 0.000 1.186 516 A CA 2.272 54.308 52.037 -0.001 0.000 0.620 516 A CB -1.105 17.893 19.000 -0.004 0.000 0.822 516 A HN 1.171 nan 8.150 nan 0.000 0.443 517 A N -0.412 122.393 122.820 -0.025 0.000 1.933 517 A HA 0.015 4.336 4.320 0.002 0.000 0.218 517 A C 1.918 179.484 177.584 -0.030 0.000 1.175 517 A CA 2.197 54.214 52.037 -0.032 0.000 0.628 517 A CB -0.792 18.176 19.000 -0.052 0.000 0.814 517 A HN 1.211 nan 8.150 nan 0.000 0.444 518 V N -4.471 115.414 119.914 -0.049 0.000 3.380 518 V HA 0.299 4.420 4.120 0.002 0.000 0.307 518 V C 0.163 176.320 176.094 0.105 0.000 1.434 518 V CA 0.387 62.673 62.300 -0.023 0.000 1.075 518 V CB -0.200 31.456 31.823 -0.278 0.000 0.954 518 V HN 0.422 nan 8.190 nan 0.000 0.444 519 D N 1.476 121.921 120.400 0.074 0.000 2.828 519 D HA -0.150 4.492 4.640 0.002 0.000 0.241 519 D C 0.263 176.662 176.300 0.166 0.000 1.142 519 D CA 1.012 55.078 54.000 0.111 0.000 0.755 519 D CB -0.966 39.907 40.800 0.121 0.000 1.014 519 D HN 1.101 nan 8.370 nan 0.000 0.420 520 A N 1.604 124.490 122.820 0.110 0.000 2.354 520 A HA 0.475 4.796 4.320 0.002 0.000 0.269 520 A C 0.855 178.505 177.584 0.110 0.000 1.109 520 A CA 0.032 52.120 52.037 0.085 0.000 0.800 520 A CB 0.310 19.313 19.000 0.006 0.000 1.045 520 A HN 0.535 nan 8.150 nan 0.000 0.489 521 Y N 0.285 120.649 120.300 0.107 0.000 2.507 521 Y HA 0.462 5.013 4.550 0.002 0.000 0.263 521 Y C 0.613 176.528 175.900 0.026 0.000 1.093 521 Y CA 0.135 58.267 58.100 0.054 0.000 1.285 521 Y CB 0.195 38.679 38.460 0.041 0.000 1.115 521 Y HN 0.459 nan 8.280 nan 0.000 0.533 522 K N 1.643 121.903 120.400 -0.233 0.000 2.443 522 K HA 0.490 4.811 4.320 0.002 0.000 0.252 522 K C -2.169 174.373 176.600 -0.096 0.000 0.933 522 K CA -0.902 55.293 56.287 -0.153 0.000 0.792 522 K CB 1.889 34.203 32.500 -0.310 0.000 1.185 522 K HN 0.148 nan 8.250 nan 0.000 0.425 523 L N 3.603 124.798 121.223 -0.047 0.000 2.482 523 L HA 0.539 4.880 4.340 0.002 0.000 0.269 523 L C -1.666 175.194 176.870 -0.016 0.000 0.967 523 L CA -0.211 54.614 54.840 -0.026 0.000 0.851 523 L CB 1.620 43.663 42.059 -0.026 0.000 1.242 523 L HN 0.829 nan 8.230 nan 0.000 0.404 524 E N 2.500 122.697 120.200 -0.005 0.000 2.340 524 E HA 0.697 5.048 4.350 0.002 0.000 0.273 524 E C -1.468 175.133 176.600 0.002 0.000 0.891 524 E CA -0.467 55.932 56.400 -0.001 0.000 0.757 524 E CB 2.858 32.559 29.700 0.000 0.000 1.231 524 E HN 0.355 nan 8.360 nan 0.000 0.439 525 V N 2.855 122.771 119.914 0.003 0.000 2.378 525 V HA 0.538 4.659 4.120 0.002 0.000 0.288 525 V C -0.863 175.236 176.094 0.010 0.000 1.016 525 V CA -0.784 61.517 62.300 0.003 0.000 0.840 525 V CB 1.557 33.379 31.823 -0.001 0.000 0.994 525 V HN 0.449 nan 8.190 nan 0.000 0.431 526 V N 3.807 123.727 119.914 0.011 0.000 2.604 526 V HA 0.603 4.724 4.120 0.002 0.000 0.305 526 V C -1.102 175.000 176.094 0.012 0.000 1.043 526 V CA -0.438 61.872 62.300 0.016 0.000 0.888 526 V CB 2.284 34.120 31.823 0.021 0.000 0.995 526 V HN 0.958 nan 8.190 nan 0.000 0.429 527 D N 4.961 125.368 120.400 0.012 0.000 2.313 527 D HA 0.306 4.947 4.640 0.002 0.000 0.239 527 D C 0.335 176.641 176.300 0.010 0.000 1.142 527 D CA -0.001 54.005 54.000 0.009 0.000 0.847 527 D CB 1.233 42.038 40.800 0.008 0.000 1.082 527 D HN 0.536 nan 8.370 nan 0.000 0.480 528 L N 2.445 123.673 121.223 0.008 0.000 2.848 528 L HA 0.217 4.559 4.340 0.002 0.000 0.240 528 L C 0.695 177.566 176.870 0.002 0.000 1.232 528 L CA -0.195 54.650 54.840 0.008 0.000 1.031 528 L CB -0.008 42.058 42.059 0.011 0.000 1.338 528 L HN 0.200 nan 8.230 nan 0.000 0.509 529 S N 0.000 115.700 115.700 0.001 0.000 2.498 529 S HA 0.000 4.471 4.470 0.002 0.000 0.327 529 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 529 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 529 S HN 0.000 nan 8.310 nan 0.000 0.517