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 1lpf_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQKFDVVVIG AGPGGYVAAI RAAQLGLKTA CIEKYIGKEG KVALGGTcLN DATA SEQUENCE VGcIPSKALL DSSYKYHEAK EAFKVHGIEA KGVTIDVPAM VARKANIVKN DATA SEQUENCE LTGGIATLFK ANGVTSFEGH GKLLANKQVE VTGLDGKTQV LEAENVIIAS DATA SEQUENCE GSRPVEIPPA PLSDDIIVDS TGALEFQAVP KKLGVIGAGV IGLELGSVWA DATA SEQUENCE RLGAEVTVLE ALDKFLPAAD EQIAKEALKV LTKQGLNIRL GARVTASEVK DATA SEQUENCE KKQVTVTFTD ANGEQKETFD KLIVAVGRRP VTTDLLAADS GVTLDERGFI DATA SEQUENCE YVDDHCKTSV PGVFAIGDVV RGAMLAHKAS EEGVMVAERI AGHKAQMNYD DATA SEQUENCE LIPSVIYTHP EIAWVGKTEQ TLKAEGVEVN VGTFPFAASG RAMAANDTTG DATA SEQUENCE LVKVIADAKT DRVLGVHVIG PSAAELVQQG AIGMEFGTSA EDLGMMVFSH DATA SEQUENCE PTLSEALHEA ALAVNGHAIH IA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.627 174.600 0.046 0.000 1.055 1 S CA 0.000 58.278 58.200 0.130 0.000 1.107 1 S CB 0.000 63.257 63.200 0.095 0.000 0.593 2 Q N 0.053 119.804 119.800 -0.082 0.000 2.644 2 Q HA 0.364 4.689 4.340 -0.026 0.000 0.220 2 Q C -0.194 175.742 176.000 -0.107 0.000 0.866 2 Q CA 0.648 56.414 55.803 -0.062 0.000 0.915 2 Q CB 0.253 28.959 28.738 -0.053 0.000 1.191 2 Q HN 0.457 nan 8.270 nan 0.000 0.641 3 K N -0.058 120.195 120.400 -0.246 0.000 2.164 3 K HA 0.479 4.783 4.320 -0.026 0.000 0.258 3 K C -1.423 174.908 176.600 -0.448 0.000 0.951 3 K CA -0.054 56.114 56.287 -0.197 0.000 0.844 3 K CB 0.766 33.191 32.500 -0.126 0.000 1.099 3 K HN -0.198 nan 8.250 nan 0.000 0.435 4 F N 0.744 120.719 119.950 0.043 0.000 2.645 4 F HA 0.252 4.762 4.527 -0.029 0.000 0.310 4 F C 0.715 176.536 175.800 0.035 0.000 1.102 4 F CA -0.715 57.313 58.000 0.046 0.000 0.952 4 F CB 2.123 41.165 39.000 0.070 0.000 1.326 4 F HN 0.563 nan 8.300 nan 0.000 0.456 5 D N 0.411 120.964 120.400 0.255 0.000 2.162 5 D HA 0.069 4.694 4.640 -0.026 0.000 0.205 5 D C -0.044 176.339 176.300 0.138 0.000 0.964 5 D CA 1.579 55.666 54.000 0.146 0.000 0.847 5 D CB 0.561 41.423 40.800 0.103 0.000 0.988 5 D HN 0.101 nan 8.370 nan 0.000 0.480 6 V N 0.617 120.616 119.914 0.141 0.000 2.686 6 V HA 0.458 4.562 4.120 -0.026 0.000 0.306 6 V C -0.235 175.876 176.094 0.027 0.000 1.065 6 V CA -0.993 61.360 62.300 0.088 0.000 0.894 6 V CB 2.550 34.403 31.823 0.051 0.000 1.004 6 V HN -0.296 nan 8.190 nan 0.000 0.424 7 V N 4.659 124.588 119.914 0.026 0.000 2.409 7 V HA 0.524 4.628 4.120 -0.026 0.000 0.291 7 V C -0.203 175.888 176.094 -0.006 0.000 1.020 7 V CA -0.463 61.813 62.300 -0.041 0.000 0.848 7 V CB 1.958 33.781 31.823 -0.001 0.000 0.990 7 V HN 0.731 nan 8.190 nan 0.000 0.430 8 V N 6.590 126.490 119.914 -0.024 0.000 2.483 8 V HA 0.522 4.627 4.120 -0.026 0.000 0.295 8 V C -0.146 175.963 176.094 0.025 0.000 1.035 8 V CA -0.492 61.816 62.300 0.015 0.000 0.896 8 V CB 1.930 33.764 31.823 0.018 0.000 0.986 8 V HN 0.672 nan 8.190 nan 0.000 0.447 9 I N 4.179 124.767 120.570 0.030 0.000 2.354 9 I HA 0.736 4.890 4.170 -0.026 0.000 0.286 9 I C 0.518 176.652 176.117 0.027 0.000 1.007 9 I CA -0.051 61.259 61.300 0.017 0.000 1.167 9 I CB 1.383 39.378 38.000 -0.008 0.000 1.320 9 I HN 0.897 nan 8.210 nan 0.000 0.458 10 G N 4.441 113.268 108.800 0.044 0.000 3.055 10 G HA2 0.176 4.120 3.960 -0.026 0.000 0.685 10 G HA3 0.176 4.120 3.960 -0.026 0.000 0.685 10 G C -0.536 174.428 174.900 0.107 0.000 1.212 10 G CA -0.335 44.798 45.100 0.055 0.000 0.822 10 G HN 0.871 nan 8.290 nan 0.000 0.610 11 A N 1.380 124.275 122.820 0.125 0.000 2.911 11 A HA 0.804 5.109 4.320 -0.026 0.000 0.304 11 A C 1.237 178.936 177.584 0.191 0.000 1.144 11 A CA 1.070 53.225 52.037 0.196 0.000 0.988 11 A CB -0.137 18.971 19.000 0.180 0.000 1.141 11 A HN 2.109 nan 8.150 nan 0.000 0.552 12 G N 0.131 109.013 108.800 0.138 0.000 2.510 12 G HA2 0.463 4.408 3.960 -0.026 0.000 0.280 12 G HA3 0.463 4.408 3.960 -0.026 0.000 0.280 12 G C -0.950 174.024 174.900 0.123 0.000 1.386 12 G CA -0.904 44.271 45.100 0.125 0.000 1.047 12 G HN 0.088 nan 8.290 nan 0.000 0.527 13 P HA -0.141 nan 4.420 nan 0.000 0.215 13 P C 1.981 179.083 177.300 -0.329 0.000 1.157 13 P CA 2.059 64.963 63.100 -0.327 0.000 0.874 13 P CB -0.260 31.340 31.700 -0.165 0.000 0.790 14 G N -0.285 108.420 108.800 -0.158 0.000 2.418 14 G HA2 -0.191 3.754 3.960 -0.026 0.000 0.217 14 G HA3 -0.191 3.754 3.960 -0.026 0.000 0.217 14 G C 1.841 176.690 174.900 -0.085 0.000 1.158 14 G CA 1.099 46.130 45.100 -0.116 0.000 0.771 14 G HN 0.420 nan 8.290 nan 0.000 0.545 15 G N 0.124 108.911 108.800 -0.023 0.000 2.408 15 G HA2 -0.020 3.925 3.960 -0.026 0.000 0.213 15 G HA3 -0.020 3.925 3.960 -0.026 0.000 0.213 15 G C 1.685 176.674 174.900 0.149 0.000 1.177 15 G CA 1.072 46.208 45.100 0.059 0.000 0.802 15 G HN 0.574 nan 8.290 nan 0.000 0.533 16 Y N 0.956 121.324 120.300 0.113 0.000 2.293 16 Y HA 0.088 4.621 4.550 -0.027 0.000 0.291 16 Y C 2.306 178.324 175.900 0.196 0.000 1.137 16 Y CA 0.840 59.075 58.100 0.225 0.000 1.202 16 Y CB -0.786 37.669 38.460 -0.008 0.000 0.990 16 Y HN 0.002 nan 8.280 nan 0.000 0.537 17 V N 1.449 121.209 119.914 -0.256 0.000 2.307 17 V HA -0.246 3.859 4.120 -0.026 0.000 0.245 17 V C 2.919 178.994 176.094 -0.032 0.000 1.045 17 V CA 1.871 64.055 62.300 -0.194 0.000 1.024 17 V CB -1.474 30.111 31.823 -0.396 0.000 0.651 17 V HN 0.621 nan 8.190 nan 0.000 0.449 18 A N 0.043 122.836 122.820 -0.044 0.000 1.917 18 A HA -0.211 4.094 4.320 -0.026 0.000 0.219 18 A C 2.406 179.997 177.584 0.011 0.000 1.182 18 A CA 2.453 54.476 52.037 -0.023 0.000 0.633 18 A CB -0.834 18.152 19.000 -0.023 0.000 0.819 18 A HN 0.587 nan 8.150 nan 0.000 0.448 19 A N -0.008 122.848 122.820 0.060 0.000 1.845 19 A HA -0.081 4.224 4.320 -0.026 0.000 0.215 19 A C 2.130 179.730 177.584 0.027 0.000 1.195 19 A CA 1.522 53.567 52.037 0.013 0.000 0.616 19 A CB -0.696 18.290 19.000 -0.022 0.000 0.832 19 A HN 0.489 nan 8.150 nan 0.000 0.443 20 I N -1.050 119.615 120.570 0.158 0.000 2.264 20 I HA -0.284 3.871 4.170 -0.026 0.000 0.248 20 I C 2.739 178.897 176.117 0.069 0.000 1.111 20 I CA 1.845 63.235 61.300 0.149 0.000 1.382 20 I CB -0.307 37.838 38.000 0.242 0.000 1.060 20 I HN 0.290 nan 8.210 nan 0.000 0.418 21 R N 1.468 121.993 120.500 0.042 0.000 2.062 21 R HA -0.067 4.257 4.340 -0.026 0.000 0.231 21 R C 2.303 178.607 176.300 0.006 0.000 1.136 21 R CA 1.869 57.979 56.100 0.017 0.000 0.948 21 R CB -0.821 29.475 30.300 -0.006 0.000 0.845 21 R HN 0.317 nan 8.270 nan 0.000 0.430 22 A N 0.365 123.180 122.820 -0.009 0.000 1.908 22 A HA -0.105 4.200 4.320 -0.026 0.000 0.218 22 A C 2.364 179.945 177.584 -0.005 0.000 1.181 22 A CA 1.984 54.011 52.037 -0.017 0.000 0.627 22 A CB -1.139 17.847 19.000 -0.022 0.000 0.818 22 A HN 0.495 nan 8.150 nan 0.000 0.445 23 A N -0.681 122.134 122.820 -0.008 0.000 1.865 23 A HA -0.271 4.034 4.320 -0.026 0.000 0.217 23 A C 2.119 179.709 177.584 0.011 0.000 1.191 23 A CA 1.873 53.906 52.037 -0.006 0.000 0.623 23 A CB -0.698 18.290 19.000 -0.021 0.000 0.826 23 A HN 0.645 nan 8.150 nan 0.000 0.444 24 Q N -0.986 118.826 119.800 0.020 0.000 2.170 24 Q HA -0.088 4.236 4.340 -0.026 0.000 0.203 24 Q C 1.527 177.545 176.000 0.029 0.000 0.976 24 Q CA 0.947 56.766 55.803 0.026 0.000 0.858 24 Q CB -0.214 28.543 28.738 0.031 0.000 0.907 24 Q HN 0.450 nan 8.270 nan 0.000 0.433 25 L N -0.785 120.454 121.223 0.027 0.000 2.622 25 L HA 0.027 4.351 4.340 -0.026 0.000 0.233 25 L C 1.314 178.200 176.870 0.026 0.000 1.156 25 L CA 1.712 56.573 54.840 0.034 0.000 0.866 25 L CB -1.006 41.060 42.059 0.010 0.000 0.980 25 L HN 0.446 nan 8.230 nan 0.000 0.448 26 G N -0.828 107.984 108.800 0.020 0.000 2.131 26 G HA2 -0.232 3.712 3.960 -0.026 0.000 0.223 26 G HA3 -0.232 3.712 3.960 -0.026 0.000 0.223 26 G C 0.290 175.203 174.900 0.021 0.000 0.990 26 G CA -0.075 45.037 45.100 0.020 0.000 0.671 26 G HN 0.277 nan 8.290 nan 0.000 0.521 27 L N 0.050 121.285 121.223 0.019 0.000 2.326 27 L HA 0.493 4.817 4.340 -0.026 0.000 0.278 27 L C 0.825 177.727 176.870 0.054 0.000 1.092 27 L CA -0.984 53.875 54.840 0.033 0.000 0.810 27 L CB 1.119 43.193 42.059 0.025 0.000 1.153 27 L HN 0.028 nan 8.230 nan 0.000 0.439 28 K N 2.363 122.819 120.400 0.092 0.000 2.349 28 K HA 0.215 4.519 4.320 -0.026 0.000 0.289 28 K C -0.775 175.971 176.600 0.243 0.000 1.064 28 K CA 0.159 56.542 56.287 0.161 0.000 0.947 28 K CB 0.368 32.959 32.500 0.151 0.000 1.007 28 K HN 0.553 nan 8.250 nan 0.000 0.478 29 T N 2.627 117.261 114.554 0.133 0.000 2.876 29 T HA 0.799 5.134 4.350 -0.026 0.000 0.289 29 T C -1.198 173.340 174.700 -0.271 0.000 1.014 29 T CA -0.742 61.334 62.100 -0.040 0.000 0.986 29 T CB 1.729 70.550 68.868 -0.079 0.000 1.021 29 T HN 0.577 nan 8.240 nan 0.000 0.458 30 A N 1.031 123.537 122.820 -0.523 0.000 2.435 30 A HA 0.797 5.101 4.320 -0.026 0.000 0.304 30 A C -0.673 176.705 177.584 -0.343 0.000 1.064 30 A CA -0.783 50.859 52.037 -0.657 0.000 0.727 30 A CB 1.304 19.594 19.000 -1.183 0.000 1.284 30 A HN 1.041 nan 8.150 nan 0.000 0.415 31 C N 2.625 121.772 119.300 -0.254 0.000 2.547 31 C HA 0.833 5.278 4.460 -0.026 0.000 0.313 31 C C -0.940 174.081 174.990 0.052 0.000 1.191 31 C CA -0.623 58.345 59.018 -0.083 0.000 1.474 31 C CB -0.285 27.402 27.740 -0.088 0.000 2.081 31 C HN 0.723 nan 8.230 nan 0.000 0.476 32 I N 4.289 124.920 120.570 0.101 0.000 2.404 32 I HA 0.608 4.763 4.170 -0.026 0.000 0.293 32 I C -0.506 175.676 176.117 0.109 0.000 0.992 32 I CA 0.261 61.644 61.300 0.138 0.000 1.149 32 I CB 1.673 39.726 38.000 0.088 0.000 1.315 32 I HN 0.719 nan 8.210 nan 0.000 0.446 33 E N 5.546 125.818 120.200 0.120 0.000 2.335 33 E HA 0.285 4.619 4.350 -0.026 0.000 0.280 33 E C -0.870 175.796 176.600 0.110 0.000 0.918 33 E CA -0.809 55.657 56.400 0.110 0.000 0.765 33 E CB 1.355 31.134 29.700 0.133 0.000 1.218 33 E HN 0.557 nan 8.360 nan 0.000 0.425 34 K N 3.465 123.928 120.400 0.105 0.000 2.438 34 K HA 0.143 4.448 4.320 -0.026 0.000 0.205 34 K C -0.359 176.306 176.600 0.107 0.000 1.033 34 K CA -0.521 55.826 56.287 0.100 0.000 1.089 34 K CB 0.197 32.755 32.500 0.098 0.000 0.857 34 K HN 0.405 nan 8.250 nan 0.000 0.522 35 Y N 2.166 122.481 120.300 0.026 0.000 2.480 35 Y HA 0.315 4.848 4.550 -0.028 0.000 0.341 35 Y C -0.008 175.902 175.900 0.016 0.000 1.031 35 Y CA -0.643 57.468 58.100 0.018 0.000 1.295 35 Y CB 0.280 38.746 38.460 0.010 0.000 1.162 35 Y HN 0.138 nan 8.280 nan 0.000 0.523 36 I N 6.214 126.512 120.570 -0.454 0.000 2.337 36 I HA 0.588 4.743 4.170 -0.026 0.000 0.291 36 I C 1.052 176.790 176.117 -0.631 0.000 1.046 36 I CA 0.055 61.147 61.300 -0.346 0.000 1.324 36 I CB -0.150 37.726 38.000 -0.207 0.000 1.409 36 I HN 0.963 nan 8.210 nan 0.000 0.494 37 G N 3.451 112.044 108.800 -0.345 0.000 2.421 37 G HA2 0.135 4.079 3.960 -0.026 0.000 0.238 37 G HA3 0.135 4.079 3.960 -0.026 0.000 0.238 37 G C 1.034 175.867 174.900 -0.113 0.000 1.544 37 G CA 0.778 45.784 45.100 -0.156 0.000 1.044 37 G HN 0.907 nan 8.290 nan 0.000 0.537 38 K N -0.724 119.680 120.400 0.007 0.000 2.348 38 K HA 0.305 4.609 4.320 -0.026 0.000 0.194 38 K C 1.615 178.211 176.600 -0.007 0.000 1.052 38 K CA 1.250 57.541 56.287 0.008 0.000 1.004 38 K CB 0.454 32.979 32.500 0.042 0.000 0.873 38 K HN 0.444 nan 8.250 nan 0.000 0.523 39 E N -0.111 120.084 120.200 -0.009 0.000 2.830 39 E HA 0.420 4.754 4.350 -0.026 0.000 0.225 39 E C 0.853 177.441 176.600 -0.019 0.000 1.109 39 E CA 0.051 56.445 56.400 -0.010 0.000 1.392 39 E CB -0.896 28.802 29.700 -0.004 0.000 1.349 39 E HN 0.340 nan 8.360 nan 0.000 0.433 40 G N -0.632 108.147 108.800 -0.035 0.000 2.609 40 G HA2 -0.193 3.751 3.960 -0.026 0.000 0.235 40 G HA3 -0.193 3.751 3.960 -0.026 0.000 0.235 40 G C 1.219 176.096 174.900 -0.039 0.000 1.177 40 G CA 1.094 46.171 45.100 -0.038 0.000 0.707 40 G HN 1.584 nan 8.290 nan 0.000 0.513 41 K N 0.344 120.729 120.400 -0.025 0.000 2.126 41 K HA 0.925 5.230 4.320 -0.026 0.000 0.257 41 K C 0.920 177.511 176.600 -0.016 0.000 1.007 41 K CA 0.424 56.702 56.287 -0.015 0.000 0.928 41 K CB -0.003 32.495 32.500 -0.003 0.000 1.013 41 K HN 2.004 nan 8.250 nan 0.000 0.473 42 V N -0.033 119.883 119.914 0.003 0.000 2.788 42 V HA 0.495 4.600 4.120 -0.026 0.000 0.307 42 V C 0.722 176.853 176.094 0.061 0.000 1.069 42 V CA 0.364 62.682 62.300 0.030 0.000 1.173 42 V CB 0.059 31.915 31.823 0.055 0.000 0.925 42 V HN 1.380 nan 8.190 nan 0.000 0.492 43 A N 5.833 128.742 122.820 0.148 0.000 2.304 43 A HA 0.771 5.076 4.320 -0.026 0.000 0.314 43 A C -0.225 177.425 177.584 0.109 0.000 1.187 43 A CA -0.529 51.599 52.037 0.151 0.000 0.810 43 A CB 0.575 19.731 19.000 0.260 0.000 1.183 43 A HN 0.920 nan 8.150 nan 0.000 0.487 44 L N 1.629 122.834 121.223 -0.029 0.000 2.475 44 L HA 0.553 4.877 4.340 -0.026 0.000 0.253 44 L C 1.604 178.358 176.870 -0.193 0.000 1.198 44 L CA 1.041 55.803 54.840 -0.130 0.000 0.814 44 L CB 0.579 42.464 42.059 -0.290 0.000 1.134 44 L HN 1.167 nan 8.230 nan 0.000 0.478 45 G N -0.410 108.265 108.800 -0.208 0.000 2.259 45 G HA2 -0.032 3.913 3.960 -0.026 0.000 0.217 45 G HA3 -0.032 3.913 3.960 -0.026 0.000 0.217 45 G C 0.664 175.522 174.900 -0.069 0.000 1.001 45 G CA -0.127 44.880 45.100 -0.155 0.000 0.627 45 G HN 1.458 nan 8.290 nan 0.000 0.501 46 G N -0.725 107.994 108.800 -0.136 0.000 2.564 46 G HA2 -0.097 3.848 3.960 -0.026 0.000 0.273 46 G HA3 -0.097 3.848 3.960 -0.026 0.000 0.273 46 G C 1.077 175.815 174.900 -0.269 0.000 1.242 46 G CA 1.652 46.644 45.100 -0.180 0.000 0.951 46 G HN 1.396 nan 8.290 nan 0.000 0.564 47 T N -0.418 114.029 114.554 -0.179 0.000 2.737 47 T HA -0.157 4.178 4.350 -0.026 0.000 0.265 47 T C 2.423 177.052 174.700 -0.118 0.000 1.038 47 T CA 2.358 64.364 62.100 -0.156 0.000 1.144 47 T CB -0.781 68.032 68.868 -0.093 0.000 0.866 47 T HN 0.977 nan 8.240 nan 0.000 0.434 48 c N 1.138 119.690 118.600 -0.079 0.000 2.393 48 c HA -0.059 4.495 4.570 -0.026 0.000 0.276 48 c C 2.554 176.603 174.090 -0.069 0.000 1.215 48 c CA 0.866 57.159 56.329 -0.059 0.000 1.743 48 c CB -1.316 41.177 42.510 -0.029 0.000 2.044 48 c HN 0.506 nan 8.230 nan 0.000 0.464 49 L N 0.660 121.841 121.223 -0.071 0.000 2.341 49 L HA 0.137 4.462 4.340 -0.026 0.000 0.214 49 L C 1.758 178.564 176.870 -0.106 0.000 1.115 49 L CA 1.861 56.651 54.840 -0.083 0.000 0.820 49 L CB -0.774 41.232 42.059 -0.088 0.000 0.944 49 L HN 0.408 nan 8.230 nan 0.000 0.452 50 N N -1.965 116.643 118.700 -0.153 0.000 2.454 50 N HA 0.058 4.783 4.740 -0.026 0.000 0.177 50 N C 0.840 176.294 175.510 -0.094 0.000 1.049 50 N CA 0.989 53.950 53.050 -0.149 0.000 0.887 50 N CB 0.768 39.055 38.487 -0.334 0.000 1.095 50 N HN 0.232 nan 8.380 nan 0.000 0.446 51 V N -4.139 115.708 119.914 -0.111 0.000 3.329 51 V HA 0.627 4.731 4.120 -0.026 0.000 0.317 51 V C 0.622 176.678 176.094 -0.064 0.000 1.495 51 V CA -0.162 62.099 62.300 -0.065 0.000 1.105 51 V CB 0.371 32.165 31.823 -0.049 0.000 0.985 51 V HN 0.127 nan 8.190 nan 0.000 0.475 52 G N -0.067 108.687 108.800 -0.076 0.000 3.387 52 G HA2 0.221 4.165 3.960 -0.026 0.000 0.194 52 G HA3 0.221 4.165 3.960 -0.026 0.000 0.194 52 G C 1.071 175.922 174.900 -0.082 0.000 1.417 52 G CA 0.682 45.740 45.100 -0.069 0.000 0.777 52 G HN 0.225 nan 8.290 nan 0.000 0.721 53 c N 0.206 118.756 118.600 -0.084 0.000 2.303 53 c HA -0.161 4.394 4.570 -0.026 0.000 0.273 53 c C 2.798 176.801 174.090 -0.145 0.000 1.154 53 c CA 1.073 57.332 56.329 -0.117 0.000 1.784 53 c CB -1.300 41.160 42.510 -0.084 0.000 1.993 53 c HN 0.438 nan 8.230 nan 0.000 0.430 54 I N 1.726 122.229 120.570 -0.111 0.000 2.226 54 I HA -0.077 4.077 4.170 -0.026 0.000 0.245 54 I C -0.497 175.554 176.117 -0.109 0.000 1.100 54 I CA 1.813 63.046 61.300 -0.112 0.000 1.374 54 I CB -1.458 36.491 38.000 -0.084 0.000 1.057 54 I HN 0.292 nan 8.210 nan 0.000 0.413 55 P HA -0.069 nan 4.420 nan 0.000 0.217 55 P C 1.887 179.126 177.300 -0.100 0.000 1.154 55 P CA 1.696 64.747 63.100 -0.081 0.000 0.841 55 P CB -0.159 31.505 31.700 -0.060 0.000 0.788 56 S N -0.466 115.170 115.700 -0.108 0.000 2.368 56 S HA -0.169 4.285 4.470 -0.026 0.000 0.225 56 S C 1.953 176.464 174.600 -0.149 0.000 1.030 56 S CA 1.201 59.330 58.200 -0.118 0.000 0.999 56 S CB -1.044 62.097 63.200 -0.097 0.000 0.844 56 S HN -0.101 nan 8.310 nan 0.000 0.459 57 K N 2.495 122.775 120.400 -0.200 0.000 2.009 57 K HA 0.168 4.473 4.320 -0.026 0.000 0.210 57 K C 2.416 178.929 176.600 -0.146 0.000 1.049 57 K CA 1.641 57.790 56.287 -0.230 0.000 0.929 57 K CB -1.383 30.933 32.500 -0.307 0.000 0.714 57 K HN 0.501 nan 8.250 nan 0.000 0.440 58 A N 0.438 123.185 122.820 -0.123 0.000 2.019 58 A HA -0.114 4.191 4.320 -0.026 0.000 0.219 58 A C 2.132 179.659 177.584 -0.096 0.000 1.164 58 A CA 1.279 53.262 52.037 -0.091 0.000 0.644 58 A CB -0.515 18.439 19.000 -0.076 0.000 0.805 58 A HN 0.210 nan 8.150 nan 0.000 0.449 59 L N -1.077 120.070 121.223 -0.126 0.000 2.095 59 L HA -0.066 4.258 4.340 -0.026 0.000 0.204 59 L C 2.510 179.280 176.870 -0.166 0.000 1.080 59 L CA 0.719 55.456 54.840 -0.172 0.000 0.759 59 L CB -0.640 41.269 42.059 -0.250 0.000 0.914 59 L HN 0.365 nan 8.230 nan 0.000 0.439 60 L N -0.007 121.134 121.223 -0.136 0.000 2.043 60 L HA -0.292 4.032 4.340 -0.026 0.000 0.212 60 L C 2.318 179.179 176.870 -0.015 0.000 1.075 60 L CA 1.412 56.205 54.840 -0.078 0.000 0.752 60 L CB -0.591 41.438 42.059 -0.051 0.000 0.891 60 L HN 0.321 nan 8.230 nan 0.000 0.432 61 D N -0.500 119.890 120.400 -0.016 0.000 2.084 61 D HA -0.139 4.485 4.640 -0.026 0.000 0.194 61 D C 2.362 178.690 176.300 0.048 0.000 0.990 61 D CA 1.661 55.682 54.000 0.035 0.000 0.826 61 D CB -0.260 40.545 40.800 0.009 0.000 0.971 61 D HN 0.184 nan 8.370 nan 0.000 0.453 62 S N 0.483 116.178 115.700 -0.008 0.000 2.399 62 S HA -0.143 4.312 4.470 -0.026 0.000 0.231 62 S C 2.167 176.763 174.600 -0.006 0.000 1.022 62 S CA 1.341 59.533 58.200 -0.014 0.000 0.983 62 S CB -0.308 62.863 63.200 -0.049 0.000 0.803 62 S HN 0.358 nan 8.310 nan 0.000 0.480 63 S N 0.899 116.577 115.700 -0.035 0.000 2.387 63 S HA -0.103 4.351 4.470 -0.026 0.000 0.226 63 S C 1.708 176.348 174.600 0.067 0.000 1.026 63 S CA 0.772 58.961 58.200 -0.019 0.000 0.972 63 S CB -0.846 62.280 63.200 -0.125 0.000 0.814 63 S HN 0.504 nan 8.310 nan 0.000 0.477 64 Y N 3.127 123.399 120.300 -0.048 0.000 2.128 64 Y HA -0.111 4.423 4.550 -0.026 0.000 0.284 64 Y C 2.230 178.120 175.900 -0.017 0.000 1.154 64 Y CA 1.653 59.717 58.100 -0.060 0.000 1.149 64 Y CB -0.457 37.933 38.460 -0.118 0.000 0.976 64 Y HN 0.160 nan 8.280 nan 0.000 0.505 65 K N -1.331 118.990 120.400 -0.131 0.000 2.063 65 K HA -0.273 4.032 4.320 -0.026 0.000 0.208 65 K C 2.020 178.468 176.600 -0.252 0.000 1.048 65 K CA 1.822 57.989 56.287 -0.201 0.000 0.928 65 K CB -0.754 31.720 32.500 -0.043 0.000 0.713 65 K HN 0.405 nan 8.250 nan 0.000 0.442 66 Y N 1.351 121.514 120.300 -0.229 0.000 2.128 66 Y HA -0.311 4.224 4.550 -0.025 0.000 0.284 66 Y C 2.469 178.233 175.900 -0.226 0.000 1.154 66 Y CA 2.049 60.028 58.100 -0.202 0.000 1.149 66 Y CB -0.685 37.708 38.460 -0.111 0.000 0.976 66 Y HN 0.203 nan 8.280 nan 0.000 0.505 67 H N -0.210 118.648 119.070 -0.354 0.000 2.352 67 H HA -0.162 4.378 4.556 -0.025 0.000 0.299 67 H C 2.317 177.322 175.328 -0.538 0.000 1.097 67 H CA 2.306 58.098 56.048 -0.427 0.000 1.311 67 H CB -0.229 29.358 29.762 -0.291 0.000 1.377 67 H HN 0.557 nan 8.280 nan 0.000 0.504 68 E N -0.325 119.522 120.200 -0.589 0.000 2.047 68 E HA -0.143 4.192 4.350 -0.026 0.000 0.191 68 E C 2.295 178.415 176.600 -0.801 0.000 0.987 68 E CA 0.855 56.915 56.400 -0.566 0.000 0.799 68 E CB -0.289 29.099 29.700 -0.519 0.000 0.752 68 E HN 0.583 nan 8.360 nan 0.000 0.449 69 A N 0.403 122.498 122.820 -1.208 0.000 2.076 69 A HA -0.213 4.092 4.320 -0.026 0.000 0.220 69 A C 2.195 179.288 177.584 -0.818 0.000 1.160 69 A CA 2.383 53.435 52.037 -1.641 0.000 0.653 69 A CB -0.711 17.639 19.000 -1.083 0.000 0.801 69 A HN 0.317 nan 8.150 nan 0.000 0.455 70 K N -0.932 119.063 120.400 -0.675 0.000 2.244 70 K HA 0.159 4.463 4.320 -0.026 0.000 0.200 70 K C 1.631 178.011 176.600 -0.367 0.000 1.052 70 K CA 1.103 57.097 56.287 -0.488 0.000 0.980 70 K CB -0.114 32.034 32.500 -0.587 0.000 0.838 70 K HN 0.462 nan 8.250 nan 0.000 0.481 71 E N -0.833 119.106 120.200 -0.435 0.000 2.372 71 E HA 0.246 4.580 4.350 -0.026 0.000 0.201 71 E C 1.154 177.663 176.600 -0.152 0.000 0.938 71 E CA 0.962 57.168 56.400 -0.323 0.000 0.944 71 E CB 1.326 30.712 29.700 -0.523 0.000 0.937 71 E HN 0.445 nan 8.360 nan 0.000 0.495 72 A N -0.338 122.434 122.820 -0.080 0.000 2.609 72 A HA 0.245 4.549 4.320 -0.026 0.000 0.286 72 A C 0.693 178.492 177.584 0.358 0.000 1.138 72 A CA -0.339 51.765 52.037 0.112 0.000 0.960 72 A CB -0.062 19.012 19.000 0.124 0.000 1.208 72 A HN -0.017 nan 8.150 nan 0.000 0.541 73 F N 0.249 120.203 119.950 0.007 0.000 2.619 73 F HA 0.235 4.747 4.527 -0.026 0.000 0.293 73 F C 1.953 177.807 175.800 0.090 0.000 1.119 73 F CA 0.674 58.704 58.000 0.050 0.000 1.445 73 F CB 0.132 39.101 39.000 -0.051 0.000 1.119 73 F HN 0.275 nan 8.300 nan 0.000 0.573 74 K N 0.499 121.012 120.400 0.188 0.000 2.167 74 K HA -0.056 4.249 4.320 -0.026 0.000 0.203 74 K C 2.063 178.693 176.600 0.051 0.000 1.052 74 K CA 1.093 57.435 56.287 0.091 0.000 0.956 74 K CB 0.027 32.558 32.500 0.052 0.000 0.735 74 K HN 0.150 nan 8.250 nan 0.000 0.451 75 V N -1.117 118.816 119.914 0.032 0.000 2.720 75 V HA -0.182 3.923 4.120 -0.026 0.000 0.256 75 V C 1.476 177.478 176.094 -0.152 0.000 1.082 75 V CA 1.561 63.811 62.300 -0.082 0.000 1.101 75 V CB -0.758 30.971 31.823 -0.157 0.000 0.693 75 V HN 0.356 nan 8.190 nan 0.000 0.479 76 H N 1.102 120.142 119.070 -0.050 0.000 2.539 76 H HA 0.308 4.848 4.556 -0.026 0.000 0.267 76 H C 1.947 177.224 175.328 -0.085 0.000 0.982 76 H CA 0.611 56.608 56.048 -0.086 0.000 1.146 76 H CB 0.270 29.936 29.762 -0.159 0.000 1.382 76 H HN 0.685 nan 8.280 nan 0.000 0.577 77 G N 1.707 110.532 108.800 0.041 0.000 2.198 77 G HA2 -0.266 3.679 3.960 -0.026 0.000 0.257 77 G HA3 -0.266 3.679 3.960 -0.026 0.000 0.257 77 G C 0.063 174.958 174.900 -0.008 0.000 1.042 77 G CA 0.014 45.120 45.100 0.010 0.000 0.791 77 G HN 0.366 nan 8.290 nan 0.000 0.502 78 I N 0.403 120.960 120.570 -0.022 0.000 2.359 78 I HA 0.337 4.491 4.170 -0.026 0.000 0.284 78 I C 0.135 176.283 176.117 0.051 0.000 1.018 78 I CA -0.504 60.760 61.300 -0.060 0.000 1.173 78 I CB 1.544 39.367 38.000 -0.295 0.000 1.326 78 I HN 0.089 nan 8.210 nan 0.000 0.462 79 E N 5.465 125.694 120.200 0.048 0.000 2.042 79 E HA 0.441 4.775 4.350 -0.026 0.000 0.260 79 E C -0.238 176.405 176.600 0.072 0.000 0.975 79 E CA -0.406 56.032 56.400 0.064 0.000 0.799 79 E CB 0.974 30.695 29.700 0.034 0.000 1.131 79 E HN 0.666 nan 8.360 nan 0.000 0.423 80 A N 3.386 126.273 122.820 0.111 0.000 2.396 80 A HA 0.463 4.767 4.320 -0.026 0.000 0.279 80 A C 0.338 177.944 177.584 0.036 0.000 1.165 80 A CA -0.260 51.826 52.037 0.082 0.000 0.824 80 A CB -0.045 19.009 19.000 0.090 0.000 1.100 80 A HN 0.536 nan 8.150 nan 0.000 0.516 81 K N 2.473 122.889 120.400 0.028 0.000 2.316 81 K HA 0.532 4.837 4.320 -0.026 0.000 0.289 81 K C 0.905 177.514 176.600 0.014 0.000 1.070 81 K CA 0.056 56.353 56.287 0.017 0.000 0.928 81 K CB -0.114 32.396 32.500 0.017 0.000 1.039 81 K HN 2.518 nan 8.250 nan 0.000 0.480 82 G N 1.421 110.225 108.800 0.006 0.000 2.269 82 G HA2 -0.076 3.868 3.960 -0.026 0.000 0.237 82 G HA3 -0.076 3.868 3.960 -0.026 0.000 0.237 82 G C 0.112 175.024 174.900 0.019 0.000 0.761 82 G CA 0.148 45.254 45.100 0.010 0.000 1.141 82 G HN 1.624 nan 8.290 nan 0.000 0.319 83 V N 3.751 123.666 119.914 0.003 0.000 2.567 83 V HA 0.906 5.010 4.120 -0.026 0.000 0.289 83 V C 0.852 177.031 176.094 0.143 0.000 1.049 83 V CA 0.653 62.972 62.300 0.032 0.000 0.969 83 V CB 1.746 33.532 31.823 -0.060 0.000 0.995 83 V HN 1.423 nan 8.190 nan 0.000 0.471 84 T N 4.325 118.988 114.554 0.182 0.000 2.901 84 T HA 0.686 5.020 4.350 -0.026 0.000 0.293 84 T C -0.861 173.896 174.700 0.094 0.000 1.084 84 T CA -0.656 61.558 62.100 0.191 0.000 1.008 84 T CB 1.801 70.718 68.868 0.082 0.000 1.170 84 T HN 0.675 nan 8.240 nan 0.000 0.509 85 I N 1.264 121.762 120.570 -0.121 0.000 2.474 85 I HA 0.520 4.675 4.170 -0.026 0.000 0.294 85 I C -1.211 174.830 176.117 -0.128 0.000 1.005 85 I CA -0.738 60.404 61.300 -0.263 0.000 1.113 85 I CB 1.755 39.290 38.000 -0.775 0.000 1.289 85 I HN 0.773 nan 8.210 nan 0.000 0.436 86 D N 6.542 126.898 120.400 -0.072 0.000 2.485 86 D HA 0.173 4.798 4.640 -0.026 0.000 0.221 86 D C 1.026 177.316 176.300 -0.017 0.000 1.112 86 D CA -0.160 53.823 54.000 -0.029 0.000 0.911 86 D CB 1.042 41.835 40.800 -0.010 0.000 1.019 86 D HN 0.380 nan 8.370 nan 0.000 0.516 87 V N 5.389 125.308 119.914 0.009 0.000 2.282 87 V HA -0.200 3.904 4.120 -0.026 0.000 0.249 87 V C -0.672 175.472 176.094 0.083 0.000 1.057 87 V CA 1.628 63.974 62.300 0.077 0.000 1.032 87 V CB -1.341 30.590 31.823 0.179 0.000 0.645 87 V HN 0.497 nan 8.190 nan 0.000 0.447 88 P HA -0.220 nan 4.420 nan 0.000 0.216 88 P C 1.720 179.041 177.300 0.035 0.000 1.154 88 P CA 2.299 65.430 63.100 0.052 0.000 0.865 88 P CB -0.166 31.556 31.700 0.037 0.000 0.789 89 A N -1.207 121.625 122.820 0.020 0.000 1.930 89 A HA -0.173 4.132 4.320 -0.026 0.000 0.217 89 A C 2.249 179.835 177.584 0.003 0.000 1.175 89 A CA 1.697 53.739 52.037 0.009 0.000 0.627 89 A CB -1.399 17.602 19.000 0.002 0.000 0.815 89 A HN 0.151 nan 8.150 nan 0.000 0.443 90 M N -0.126 119.473 119.600 -0.001 0.000 2.067 90 M HA -0.135 4.330 4.480 -0.026 0.000 0.260 90 M C 1.865 178.162 176.300 -0.005 0.000 1.069 90 M CA 2.259 57.549 55.300 -0.017 0.000 1.117 90 M CB -0.254 32.324 32.600 -0.037 0.000 1.334 90 M HN 0.171 nan 8.290 nan 0.000 0.407 91 V N 1.157 121.087 119.914 0.026 0.000 2.407 91 V HA -0.234 3.871 4.120 -0.026 0.000 0.248 91 V C 2.754 178.860 176.094 0.021 0.000 1.055 91 V CA 1.780 64.102 62.300 0.038 0.000 1.049 91 V CB -1.725 30.150 31.823 0.087 0.000 0.662 91 V HN 0.676 nan 8.190 nan 0.000 0.455 92 A N 0.117 122.948 122.820 0.018 0.000 1.908 92 A HA -0.272 4.032 4.320 -0.026 0.000 0.218 92 A C 2.440 180.024 177.584 0.001 0.000 1.181 92 A CA 2.077 54.121 52.037 0.011 0.000 0.627 92 A CB -0.601 18.404 19.000 0.010 0.000 0.818 92 A HN 0.477 nan 8.150 nan 0.000 0.445 93 R N -0.115 120.382 120.500 -0.005 0.000 2.120 93 R HA -0.157 4.168 4.340 -0.026 0.000 0.234 93 R C 2.268 178.558 176.300 -0.018 0.000 1.123 93 R CA 1.771 57.864 56.100 -0.012 0.000 0.975 93 R CB -0.215 30.076 30.300 -0.015 0.000 0.866 93 R HN 0.599 nan 8.270 nan 0.000 0.446 94 K N 0.033 120.421 120.400 -0.019 0.000 2.057 94 K HA -0.096 4.208 4.320 -0.026 0.000 0.206 94 K C 1.904 178.493 176.600 -0.019 0.000 1.050 94 K CA 1.315 57.586 56.287 -0.026 0.000 0.935 94 K CB -0.157 32.326 32.500 -0.028 0.000 0.715 94 K HN 0.197 nan 8.250 nan 0.000 0.439 95 A N 1.506 124.322 122.820 -0.007 0.000 1.883 95 A HA -0.242 4.062 4.320 -0.026 0.000 0.217 95 A C 1.875 179.455 177.584 -0.007 0.000 1.186 95 A CA 2.120 54.156 52.037 -0.001 0.000 0.624 95 A CB -0.966 18.038 19.000 0.007 0.000 0.822 95 A HN 0.531 nan 8.150 nan 0.000 0.444 96 N N -0.356 118.338 118.700 -0.009 0.000 2.069 96 N HA -0.129 4.595 4.740 -0.026 0.000 0.191 96 N C 1.570 177.068 175.510 -0.021 0.000 1.031 96 N CA 1.881 54.923 53.050 -0.013 0.000 0.852 96 N CB -0.319 38.161 38.487 -0.012 0.000 1.018 96 N HN 0.560 nan 8.380 nan 0.000 0.423 97 I N -0.502 120.053 120.570 -0.025 0.000 2.179 97 I HA -0.237 3.917 4.170 -0.026 0.000 0.242 97 I C 1.963 178.056 176.117 -0.039 0.000 1.088 97 I CA 0.714 61.994 61.300 -0.034 0.000 1.357 97 I CB -0.293 37.684 38.000 -0.038 0.000 1.051 97 I HN 0.020 nan 8.210 nan 0.000 0.409 98 V N 1.158 121.051 119.914 -0.036 0.000 2.287 98 V HA -0.357 3.748 4.120 -0.026 0.000 0.248 98 V C 2.572 178.644 176.094 -0.036 0.000 1.053 98 V CA 2.146 64.423 62.300 -0.039 0.000 1.027 98 V CB -0.708 31.099 31.823 -0.026 0.000 0.646 98 V HN 0.434 nan 8.190 nan 0.000 0.447 99 K N 0.309 120.694 120.400 -0.024 0.000 2.020 99 K HA -0.277 4.027 4.320 -0.026 0.000 0.212 99 K C 1.903 178.482 176.600 -0.036 0.000 1.050 99 K CA 2.513 58.786 56.287 -0.023 0.000 0.929 99 K CB -0.322 32.169 32.500 -0.015 0.000 0.714 99 K HN 0.578 nan 8.250 nan 0.000 0.443 100 N N 0.044 118.721 118.700 -0.037 0.000 2.166 100 N HA -0.140 4.584 4.740 -0.026 0.000 0.186 100 N C 1.529 177.002 175.510 -0.062 0.000 1.019 100 N CA 0.892 53.916 53.050 -0.044 0.000 0.856 100 N CB 0.029 38.494 38.487 -0.037 0.000 0.993 100 N HN 0.074 nan 8.380 nan 0.000 0.426 101 L N 0.512 121.692 121.223 -0.072 0.000 2.068 101 L HA -0.008 4.316 4.340 -0.026 0.000 0.204 101 L C 2.218 179.004 176.870 -0.140 0.000 1.076 101 L CA 1.539 56.320 54.840 -0.099 0.000 0.753 101 L CB -1.493 40.509 42.059 -0.095 0.000 0.910 101 L HN 0.132 nan 8.230 nan 0.000 0.439 102 T N -0.134 114.345 114.554 -0.126 0.000 2.649 102 T HA -0.242 4.093 4.350 -0.026 0.000 0.268 102 T C 1.753 176.362 174.700 -0.151 0.000 1.036 102 T CA 1.789 63.805 62.100 -0.141 0.000 1.157 102 T CB -0.578 68.246 68.868 -0.074 0.000 0.861 102 T HN 0.545 nan 8.240 nan 0.000 0.445 103 G N 0.330 109.067 108.800 -0.105 0.000 2.418 103 G HA2 -0.049 3.896 3.960 -0.026 0.000 0.217 103 G HA3 -0.049 3.896 3.960 -0.026 0.000 0.217 103 G C 1.707 176.538 174.900 -0.114 0.000 1.158 103 G CA 1.066 46.111 45.100 -0.092 0.000 0.771 103 G HN 0.598 nan 8.290 nan 0.000 0.545 104 G N 1.440 110.165 108.800 -0.124 0.000 2.440 104 G HA2 -0.183 3.761 3.960 -0.026 0.000 0.218 104 G HA3 -0.183 3.761 3.960 -0.026 0.000 0.218 104 G C 1.797 176.583 174.900 -0.190 0.000 1.154 104 G CA 1.240 46.264 45.100 -0.126 0.000 0.767 104 G HN 0.726 nan 8.290 nan 0.000 0.552 105 I N -0.140 120.240 120.570 -0.317 0.000 2.761 105 I HA 0.376 4.530 4.170 -0.026 0.000 0.261 105 I C 2.610 178.420 176.117 -0.511 0.000 1.198 105 I CA 1.133 62.130 61.300 -0.505 0.000 1.482 105 I CB -0.116 37.325 38.000 -0.932 0.000 1.100 105 I HN 0.121 nan 8.210 nan 0.000 0.445 106 A N 1.441 124.062 122.820 -0.332 0.000 1.845 106 A HA -0.181 4.123 4.320 -0.026 0.000 0.215 106 A C 2.348 179.908 177.584 -0.040 0.000 1.195 106 A CA 2.732 54.672 52.037 -0.161 0.000 0.616 106 A CB -1.647 17.300 19.000 -0.089 0.000 0.832 106 A HN 0.547 nan 8.150 nan 0.000 0.443 107 T N 0.048 114.573 114.554 -0.048 0.000 2.803 107 T HA -0.121 4.214 4.350 -0.026 0.000 0.269 107 T C 1.677 176.389 174.700 0.020 0.000 1.052 107 T CA 1.339 63.435 62.100 -0.007 0.000 1.136 107 T CB -0.306 68.549 68.868 -0.021 0.000 0.864 107 T HN 0.138 nan 8.240 nan 0.000 0.467 108 L N 0.180 121.399 121.223 -0.007 0.000 2.046 108 L HA 0.074 4.399 4.340 -0.026 0.000 0.208 108 L C 2.187 179.164 176.870 0.178 0.000 1.077 108 L CA 1.303 56.171 54.840 0.046 0.000 0.747 108 L CB -1.378 40.675 42.059 -0.009 0.000 0.896 108 L HN 0.159 nan 8.230 nan 0.000 0.432 109 F N 0.372 120.301 119.950 -0.035 0.000 2.095 109 F HA -0.215 4.296 4.527 -0.027 0.000 0.298 109 F C 2.373 178.157 175.800 -0.028 0.000 1.104 109 F CA 1.160 59.143 58.000 -0.029 0.000 1.232 109 F CB -0.724 38.247 39.000 -0.048 0.000 0.987 109 F HN 0.108 nan 8.300 nan 0.000 0.475 110 K N 0.069 120.568 120.400 0.164 0.000 2.103 110 K HA 0.020 4.325 4.320 -0.026 0.000 0.204 110 K C 2.238 178.865 176.600 0.046 0.000 1.052 110 K CA 1.099 57.426 56.287 0.067 0.000 0.945 110 K CB -1.187 31.341 32.500 0.047 0.000 0.722 110 K HN 0.182 nan 8.250 nan 0.000 0.443 111 A N 1.911 124.764 122.820 0.056 0.000 1.972 111 A HA -0.135 4.170 4.320 -0.026 0.000 0.219 111 A C 1.754 179.362 177.584 0.040 0.000 1.169 111 A CA 1.452 53.513 52.037 0.041 0.000 0.635 111 A CB -0.290 18.734 19.000 0.041 0.000 0.810 111 A HN 0.290 nan 8.150 nan 0.000 0.446 112 N N -0.839 117.894 118.700 0.054 0.000 2.336 112 N HA 0.130 4.854 4.740 -0.026 0.000 0.189 112 N C 0.769 176.282 175.510 0.006 0.000 1.113 112 N CA 0.864 53.937 53.050 0.038 0.000 0.858 112 N CB 0.368 38.893 38.487 0.064 0.000 0.970 112 N HN 0.588 nan 8.380 nan 0.000 0.471 113 G N 1.137 109.933 108.800 -0.006 0.000 2.326 113 G HA2 -0.218 3.726 3.960 -0.026 0.000 0.286 113 G HA3 -0.218 3.726 3.960 -0.026 0.000 0.286 113 G C -0.417 174.432 174.900 -0.085 0.000 1.096 113 G CA -0.152 44.930 45.100 -0.030 0.000 1.003 113 G HN 0.114 nan 8.290 nan 0.000 0.503 114 V N 0.520 120.336 119.914 -0.163 0.000 2.435 114 V HA 0.601 4.706 4.120 -0.026 0.000 0.290 114 V C 0.774 176.676 176.094 -0.321 0.000 1.030 114 V CA -0.337 61.758 62.300 -0.343 0.000 0.881 114 V CB 1.941 33.322 31.823 -0.737 0.000 0.983 114 V HN 0.403 nan 8.190 nan 0.000 0.445 115 T N 3.639 117.990 114.554 -0.338 0.000 2.739 115 T HA 0.194 4.529 4.350 -0.026 0.000 0.298 115 T C 0.271 174.645 174.700 -0.543 0.000 0.929 115 T CA 0.250 62.121 62.100 -0.383 0.000 1.014 115 T CB 0.738 69.423 68.868 -0.305 0.000 0.914 115 T HN 0.639 nan 8.240 nan 0.000 0.509 116 S N 2.633 118.089 115.700 -0.406 0.000 2.562 116 S HA 0.653 5.108 4.470 -0.026 0.000 0.275 116 S C -0.904 173.448 174.600 -0.413 0.000 1.281 116 S CA -0.604 57.419 58.200 -0.294 0.000 1.045 116 S CB 0.086 63.271 63.200 -0.026 0.000 0.962 116 S HN 0.446 nan 8.310 nan 0.000 0.503 117 F N 2.184 122.123 119.950 -0.017 0.000 2.493 117 F HA 0.365 4.883 4.527 -0.014 0.000 0.329 117 F C 0.261 176.076 175.800 0.026 0.000 1.126 117 F CA -0.855 57.147 58.000 0.003 0.000 0.937 117 F CB 1.733 40.723 39.000 -0.016 0.000 1.146 117 F HN 0.523 nan 8.300 nan 0.000 0.442 118 E N 2.400 122.729 120.200 0.214 0.000 2.130 118 E HA 0.634 4.968 4.350 -0.026 0.000 0.284 118 E C 0.253 176.933 176.600 0.134 0.000 1.018 118 E CA -0.501 55.985 56.400 0.144 0.000 0.817 118 E CB 1.306 31.066 29.700 0.100 0.000 1.078 118 E HN 0.858 nan 8.360 nan 0.000 0.396 119 G N 1.983 110.855 108.800 0.122 0.000 2.324 119 G HA2 -0.046 3.898 3.960 -0.026 0.000 0.293 119 G HA3 -0.046 3.898 3.960 -0.026 0.000 0.293 119 G C -1.705 173.276 174.900 0.135 0.000 1.297 119 G CA -0.976 44.193 45.100 0.115 0.000 0.853 119 G HN 0.521 nan 8.290 nan 0.000 0.535 120 H N 0.068 119.156 119.070 0.030 0.000 2.525 120 H HA 0.660 5.212 4.556 -0.006 0.000 0.339 120 H C 0.219 175.555 175.328 0.013 0.000 1.109 120 H CA 0.672 56.736 56.048 0.026 0.000 1.352 120 H CB 1.225 30.998 29.762 0.018 0.000 1.461 120 H HN 0.903 nan 8.280 nan 0.000 0.533 121 G N 3.254 112.040 108.800 -0.023 0.000 2.482 121 G HA2 0.476 4.421 3.960 -0.026 0.000 0.317 121 G HA3 0.476 4.421 3.960 -0.026 0.000 0.317 121 G C -1.324 173.605 174.900 0.049 0.000 1.241 121 G CA -0.810 44.317 45.100 0.044 0.000 0.967 121 G HN 0.676 nan 8.290 nan 0.000 0.482 122 K N 1.130 121.591 120.400 0.102 0.000 2.525 122 K HA 0.494 4.798 4.320 -0.026 0.000 0.254 122 K C -1.768 174.862 176.600 0.049 0.000 0.934 122 K CA -0.884 55.469 56.287 0.110 0.000 0.802 122 K CB 2.395 34.999 32.500 0.173 0.000 1.295 122 K HN 0.393 nan 8.250 nan 0.000 0.433 123 L N 5.862 127.106 121.223 0.036 0.000 2.260 123 L HA 0.385 4.710 4.340 -0.026 0.000 0.289 123 L C -1.137 175.744 176.870 0.017 0.000 1.057 123 L CA -0.099 54.752 54.840 0.019 0.000 0.811 123 L CB 0.452 42.519 42.059 0.013 0.000 1.184 123 L HN 0.659 nan 8.230 nan 0.000 0.429 124 L N 3.921 125.150 121.223 0.011 0.000 2.569 124 L HA 0.705 5.029 4.340 -0.026 0.000 0.247 124 L C 0.858 177.729 176.870 0.002 0.000 1.135 124 L CA -0.905 53.940 54.840 0.007 0.000 0.812 124 L CB 0.437 42.498 42.059 0.004 0.000 1.431 124 L HN 0.743 nan 8.230 nan 0.000 0.499 125 A N -0.045 122.775 122.820 0.000 0.000 2.386 125 A HA 0.164 4.469 4.320 -0.026 0.000 0.246 125 A C 0.567 178.149 177.584 -0.003 0.000 1.089 125 A CA -0.070 51.965 52.037 -0.003 0.000 0.790 125 A CB -0.203 18.796 19.000 -0.003 0.000 1.042 125 A HN 0.899 nan 8.150 nan 0.000 0.497 126 N N -0.529 118.167 118.700 -0.006 0.000 2.714 126 N HA -0.179 4.546 4.740 -0.026 0.000 0.250 126 N C -0.430 175.078 175.510 -0.003 0.000 1.117 126 N CA 1.624 54.670 53.050 -0.006 0.000 0.719 126 N CB -1.592 36.894 38.487 -0.003 0.000 1.081 126 N HN 0.803 nan 8.380 nan 0.000 0.557 127 K N -1.514 118.883 120.400 -0.005 0.000 3.244 127 K HA -0.275 4.030 4.320 -0.026 0.000 0.270 127 K C -0.550 176.058 176.600 0.013 0.000 1.016 127 K CA 0.878 57.166 56.287 0.001 0.000 0.754 127 K CB -1.286 31.214 32.500 -0.000 0.000 1.326 127 K HN 0.559 nan 8.250 nan 0.000 0.465 128 Q N 0.088 119.894 119.800 0.009 0.000 2.306 128 Q HA 0.626 4.950 4.340 -0.026 0.000 0.265 128 Q C -0.463 175.541 176.000 0.007 0.000 1.022 128 Q CA -1.087 54.722 55.803 0.011 0.000 0.853 128 Q CB 2.663 31.404 28.738 0.005 0.000 1.327 128 Q HN 0.075 nan 8.270 nan 0.000 0.449 129 V N 1.276 121.191 119.914 0.001 0.000 2.540 129 V HA 0.274 4.378 4.120 -0.026 0.000 0.302 129 V C -0.528 175.549 176.094 -0.030 0.000 1.035 129 V CA -0.756 61.539 62.300 -0.009 0.000 0.873 129 V CB 1.717 33.531 31.823 -0.015 0.000 0.992 129 V HN 0.743 nan 8.190 nan 0.000 0.428 130 E N 3.537 123.730 120.200 -0.011 0.000 2.055 130 E HA 0.394 4.729 4.350 -0.026 0.000 0.274 130 E C -1.275 175.320 176.600 -0.009 0.000 0.949 130 E CA -0.431 55.959 56.400 -0.017 0.000 0.775 130 E CB 1.628 31.328 29.700 0.001 0.000 1.097 130 E HN 0.520 nan 8.360 nan 0.000 0.404 131 V N 5.193 125.068 119.914 -0.066 0.000 2.356 131 V HA 0.086 4.190 4.120 -0.026 0.000 0.258 131 V C 0.121 176.207 176.094 -0.013 0.000 1.065 131 V CA -0.261 62.005 62.300 -0.057 0.000 0.935 131 V CB 0.910 32.612 31.823 -0.201 0.000 1.061 131 V HN 0.652 nan 8.190 nan 0.000 0.484 132 T N 5.027 119.605 114.554 0.039 0.000 2.738 132 T HA 0.337 4.672 4.350 -0.026 0.000 0.294 132 T C 0.981 175.705 174.700 0.041 0.000 0.914 132 T CA 0.012 62.123 62.100 0.019 0.000 1.052 132 T CB 0.737 69.598 68.868 -0.010 0.000 0.897 132 T HN 0.822 nan 8.240 nan 0.000 0.522 133 G N 1.839 110.656 108.800 0.029 0.000 2.661 133 G HA2 0.202 4.147 3.960 -0.026 0.000 0.272 133 G HA3 0.202 4.147 3.960 -0.026 0.000 0.272 133 G C 1.077 176.005 174.900 0.047 0.000 1.296 133 G CA -0.584 44.545 45.100 0.049 0.000 0.998 133 G HN 0.728 nan 8.290 nan 0.000 0.553 134 L N -0.162 121.091 121.223 0.050 0.000 2.131 134 L HA 0.034 4.358 4.340 -0.026 0.000 0.206 134 L C 1.758 178.642 176.870 0.023 0.000 1.087 134 L CA 1.123 55.986 54.840 0.038 0.000 0.767 134 L CB -0.205 41.877 42.059 0.038 0.000 0.917 134 L HN 0.672 nan 8.230 nan 0.000 0.441 135 D N -0.439 119.975 120.400 0.024 0.000 2.881 135 D HA 0.064 4.689 4.640 -0.026 0.000 0.240 135 D C 1.248 177.555 176.300 0.011 0.000 1.249 135 D CA 0.617 54.627 54.000 0.016 0.000 0.839 135 D CB 0.305 41.116 40.800 0.019 0.000 1.042 135 D HN 0.304 nan 8.370 nan 0.000 0.475 136 G N 0.289 109.094 108.800 0.008 0.000 2.530 136 G HA2 -0.438 3.507 3.960 -0.026 0.000 0.247 136 G HA3 -0.438 3.507 3.960 -0.026 0.000 0.247 136 G C 0.862 175.763 174.900 0.003 0.000 1.067 136 G CA 0.785 45.886 45.100 0.001 0.000 0.650 136 G HN 0.899 nan 8.290 nan 0.000 0.531 137 K N 1.244 121.650 120.400 0.010 0.000 2.402 137 K HA 0.524 4.828 4.320 -0.026 0.000 0.279 137 K C 0.557 177.160 176.600 0.005 0.000 1.082 137 K CA 1.229 57.522 56.287 0.010 0.000 1.080 137 K CB -0.291 32.221 32.500 0.019 0.000 0.899 137 K HN 0.667 nan 8.250 nan 0.000 0.469 138 T N 2.211 116.763 114.554 -0.004 0.000 2.922 138 T HA 0.532 4.867 4.350 -0.026 0.000 0.285 138 T C -0.130 174.559 174.700 -0.020 0.000 1.005 138 T CA -0.385 61.707 62.100 -0.013 0.000 1.061 138 T CB 0.999 69.858 68.868 -0.015 0.000 1.007 138 T HN 0.720 nan 8.240 nan 0.000 0.502 139 Q N 0.713 120.490 119.800 -0.038 0.000 2.482 139 Q HA 0.642 4.966 4.340 -0.026 0.000 0.286 139 Q C -2.252 173.706 176.000 -0.069 0.000 1.007 139 Q CA -0.706 55.064 55.803 -0.055 0.000 0.801 139 Q CB 2.048 30.734 28.738 -0.086 0.000 1.455 139 Q HN 0.453 nan 8.270 nan 0.000 0.398 140 V N 3.527 123.406 119.914 -0.058 0.000 2.443 140 V HA 0.423 4.528 4.120 -0.026 0.000 0.293 140 V C -0.922 175.147 176.094 -0.041 0.000 1.021 140 V CA -0.703 61.569 62.300 -0.046 0.000 0.848 140 V CB 1.605 33.414 31.823 -0.023 0.000 0.998 140 V HN 0.647 nan 8.190 nan 0.000 0.424 141 L N 4.238 125.437 121.223 -0.041 0.000 2.334 141 L HA 0.625 4.950 4.340 -0.026 0.000 0.275 141 L C 0.306 177.210 176.870 0.057 0.000 1.036 141 L CA -0.266 54.596 54.840 0.037 0.000 0.807 141 L CB 1.573 43.677 42.059 0.076 0.000 1.231 141 L HN 0.628 nan 8.230 nan 0.000 0.438 142 E N 1.121 121.372 120.200 0.085 0.000 2.171 142 E HA 0.703 5.037 4.350 -0.026 0.000 0.271 142 E C -0.984 175.685 176.600 0.115 0.000 0.916 142 E CA -0.635 55.802 56.400 0.062 0.000 0.774 142 E CB 2.460 32.176 29.700 0.027 0.000 1.128 142 E HN 0.687 nan 8.360 nan 0.000 0.403 143 A N 2.619 125.497 122.820 0.097 0.000 2.393 143 A HA 0.300 4.604 4.320 -0.026 0.000 0.306 143 A C 0.344 177.976 177.584 0.081 0.000 1.050 143 A CA -0.589 51.523 52.037 0.125 0.000 0.724 143 A CB 1.601 20.670 19.000 0.114 0.000 1.248 143 A HN 0.696 nan 8.150 nan 0.000 0.424 144 E N 1.339 121.593 120.200 0.090 0.000 2.107 144 E HA -0.019 4.316 4.350 -0.026 0.000 0.191 144 E C -0.009 176.630 176.600 0.065 0.000 0.982 144 E CA 1.513 57.952 56.400 0.065 0.000 0.809 144 E CB 0.063 29.803 29.700 0.067 0.000 0.756 144 E HN 0.774 nan 8.360 nan 0.000 0.459 145 N N -1.388 117.366 118.700 0.091 0.000 2.242 145 N HA 0.438 5.163 4.740 -0.026 0.000 0.292 145 N C -1.924 173.649 175.510 0.104 0.000 1.125 145 N CA -0.675 52.440 53.050 0.108 0.000 0.783 145 N CB 2.747 41.357 38.487 0.204 0.000 1.558 145 N HN -0.214 nan 8.380 nan 0.000 0.472 146 V N 1.878 121.839 119.914 0.079 0.000 2.656 146 V HA 0.534 4.638 4.120 -0.026 0.000 0.307 146 V C -0.623 175.551 176.094 0.133 0.000 1.051 146 V CA -0.605 61.738 62.300 0.072 0.000 0.893 146 V CB 1.668 33.503 31.823 0.020 0.000 0.999 146 V HN 0.580 nan 8.190 nan 0.000 0.426 147 I N 5.272 125.921 120.570 0.132 0.000 2.410 147 I HA 0.467 4.622 4.170 -0.026 0.000 0.286 147 I C -0.673 175.497 176.117 0.089 0.000 1.009 147 I CA -0.362 61.034 61.300 0.160 0.000 1.111 147 I CB 1.840 39.921 38.000 0.135 0.000 1.262 147 I HN 0.455 nan 8.210 nan 0.000 0.443 148 I N 6.003 126.623 120.570 0.084 0.000 2.325 148 I HA 0.382 4.537 4.170 -0.026 0.000 0.291 148 I C 0.558 176.705 176.117 0.050 0.000 1.019 148 I CA 0.067 61.398 61.300 0.052 0.000 1.302 148 I CB 1.400 39.428 38.000 0.045 0.000 1.401 148 I HN 0.671 nan 8.210 nan 0.000 0.485 149 A N 4.048 126.889 122.820 0.035 0.000 3.308 149 A HA 0.280 4.584 4.320 -0.026 0.000 0.275 149 A C 0.968 178.564 177.584 0.020 0.000 0.950 149 A CA -0.383 51.673 52.037 0.031 0.000 0.987 149 A CB -0.045 18.974 19.000 0.031 0.000 1.146 149 A HN 0.712 nan 8.150 nan 0.000 0.488 150 S N -0.454 115.254 115.700 0.013 0.000 2.453 150 S HA 0.403 4.858 4.470 -0.026 0.000 0.231 150 S C 1.362 175.965 174.600 0.005 0.000 1.005 150 S CA 0.865 59.065 58.200 -0.001 0.000 0.949 150 S CB -0.303 62.889 63.200 -0.014 0.000 0.774 150 S HN 2.264 nan 8.310 nan 0.000 0.510 151 G N 0.946 109.756 108.800 0.016 0.000 2.512 151 G HA2 0.093 4.038 3.960 -0.026 0.000 0.210 151 G HA3 0.093 4.038 3.960 -0.026 0.000 0.210 151 G C -0.395 174.515 174.900 0.017 0.000 1.295 151 G CA -0.301 44.808 45.100 0.015 0.000 0.934 151 G HN 1.553 nan 8.290 nan 0.000 0.554 152 S N -1.843 113.864 115.700 0.010 0.000 2.651 152 S HA 1.093 5.548 4.470 -0.026 0.000 0.279 152 S C -0.315 174.286 174.600 0.003 0.000 1.148 152 S CA 0.913 59.118 58.200 0.009 0.000 0.837 152 S CB 1.803 65.023 63.200 0.034 0.000 1.138 152 S HN 2.593 nan 8.310 nan 0.000 0.478 153 R N -0.329 120.171 120.500 0.000 0.000 2.740 153 R HA 0.896 5.221 4.340 -0.026 0.000 0.273 153 R C -3.640 172.665 176.300 0.007 0.000 0.998 153 R CA -2.145 53.958 56.100 0.006 0.000 0.900 153 R CB -0.581 29.723 30.300 0.007 0.000 1.223 153 R HN 0.669 nan 8.270 nan 0.000 0.466 154 P HA 0.086 nan 4.420 nan 0.000 0.265 154 P C -0.233 177.074 177.300 0.011 0.000 1.187 154 P CA -0.357 62.751 63.100 0.013 0.000 0.766 154 P CB 0.700 32.410 31.700 0.017 0.000 0.820 155 V N 4.135 124.057 119.914 0.013 0.000 2.614 155 V HA 0.035 4.139 4.120 -0.026 0.000 0.291 155 V C 0.819 176.922 176.094 0.014 0.000 1.049 155 V CA 0.265 62.571 62.300 0.011 0.000 1.038 155 V CB 0.337 32.170 31.823 0.015 0.000 0.980 155 V HN 0.500 nan 8.190 nan 0.000 0.481 156 E N 4.631 124.839 120.200 0.013 0.000 2.231 156 E HA 0.516 4.850 4.350 -0.026 0.000 0.277 156 E C -0.765 175.846 176.600 0.018 0.000 0.999 156 E CA -0.458 55.952 56.400 0.016 0.000 0.827 156 E CB 2.171 31.880 29.700 0.015 0.000 1.101 156 E HN 0.628 nan 8.360 nan 0.000 0.393 157 I N -0.198 120.385 120.570 0.021 0.000 2.509 157 I HA 0.388 4.543 4.170 -0.026 0.000 0.293 157 I C -1.979 174.154 176.117 0.026 0.000 1.020 157 I CA -2.381 58.933 61.300 0.023 0.000 1.088 157 I CB 1.968 39.983 38.000 0.026 0.000 1.267 157 I HN 0.197 nan 8.210 nan 0.000 0.430 158 P HA -0.087 nan 4.420 nan 0.000 0.215 158 P C -1.278 176.042 177.300 0.034 0.000 1.163 158 P CA 2.205 65.322 63.100 0.027 0.000 0.894 158 P CB -1.368 30.347 31.700 0.025 0.000 0.791 159 P HA 0.011 nan 4.420 nan 0.000 0.225 159 P C 0.187 177.519 177.300 0.054 0.000 1.148 159 P CA 1.480 64.610 63.100 0.050 0.000 0.779 159 P CB -0.212 31.524 31.700 0.060 0.000 0.780 160 A N -0.518 122.330 122.820 0.047 0.000 2.815 160 A HA 0.526 4.831 4.320 -0.026 0.000 0.318 160 A C -2.886 174.721 177.584 0.038 0.000 1.186 160 A CA -1.365 50.701 52.037 0.049 0.000 0.754 160 A CB 0.557 19.586 19.000 0.049 0.000 1.151 160 A HN -0.075 nan 8.150 nan 0.000 0.452 161 P HA 0.397 nan 4.420 nan 0.000 0.282 161 P C -0.438 176.880 177.300 0.030 0.000 1.249 161 P CA -0.408 62.710 63.100 0.030 0.000 0.806 161 P CB 0.906 32.621 31.700 0.027 0.000 0.984 162 L N 1.066 122.306 121.223 0.029 0.000 2.485 162 L HA 0.384 4.708 4.340 -0.026 0.000 0.279 162 L C 1.001 177.887 176.870 0.028 0.000 1.124 162 L CA 0.154 55.012 54.840 0.031 0.000 0.888 162 L CB -1.115 40.964 42.059 0.032 0.000 1.217 162 L HN 0.433 nan 8.230 nan 0.000 0.464 163 S N 2.411 118.128 115.700 0.028 0.000 2.420 163 S HA 0.507 4.962 4.470 -0.026 0.000 0.313 163 S C 0.321 174.933 174.600 0.020 0.000 1.079 163 S CA -0.748 57.465 58.200 0.022 0.000 1.104 163 S CB 0.449 63.663 63.200 0.022 0.000 0.969 163 S HN 0.753 nan 8.310 nan 0.000 0.471 164 D N 1.103 121.514 120.400 0.018 0.000 3.254 164 D HA -0.206 4.419 4.640 -0.026 0.000 0.216 164 D C 0.211 176.523 176.300 0.020 0.000 1.556 164 D CA 1.791 55.800 54.000 0.014 0.000 1.105 164 D CB -0.173 40.630 40.800 0.004 0.000 0.682 164 D HN 0.727 nan 8.370 nan 0.000 0.810 165 D N -0.153 120.252 120.400 0.009 0.000 2.370 165 D HA 0.083 4.707 4.640 -0.026 0.000 0.230 165 D C 1.336 177.622 176.300 -0.023 0.000 1.143 165 D CA 0.001 54.007 54.000 0.010 0.000 0.834 165 D CB -0.074 40.723 40.800 -0.005 0.000 0.944 165 D HN 0.273 nan 8.370 nan 0.000 0.504 166 I N 0.380 120.942 120.570 -0.013 0.000 2.685 166 I HA 0.165 4.320 4.170 -0.026 0.000 0.251 166 I C 1.024 177.146 176.117 0.010 0.000 1.102 166 I CA 0.365 61.651 61.300 -0.022 0.000 1.442 166 I CB 0.277 38.272 38.000 -0.008 0.000 1.194 166 I HN -0.025 nan 8.210 nan 0.000 0.448 167 I N 0.773 121.361 120.570 0.029 0.000 2.328 167 I HA 0.316 4.471 4.170 -0.026 0.000 0.287 167 I C -0.673 175.473 176.117 0.049 0.000 1.012 167 I CA -0.338 60.987 61.300 0.042 0.000 1.195 167 I CB 1.630 39.655 38.000 0.042 0.000 1.350 167 I HN -0.241 nan 8.210 nan 0.000 0.464 168 V N 6.089 126.044 119.914 0.069 0.000 3.113 168 V HA 0.507 4.612 4.120 -0.026 0.000 0.316 168 V C -0.945 175.189 176.094 0.067 0.000 1.125 168 V CA -0.387 61.964 62.300 0.086 0.000 1.026 168 V CB 2.637 34.552 31.823 0.152 0.000 1.080 168 V HN 0.858 nan 8.190 nan 0.000 0.444 169 D N 0.620 121.052 120.400 0.054 0.000 2.616 169 D HA 0.356 4.981 4.640 -0.026 0.000 0.260 169 D C 1.038 177.350 176.300 0.021 0.000 1.158 169 D CA 0.172 54.194 54.000 0.035 0.000 1.085 169 D CB 1.072 41.890 40.800 0.031 0.000 1.222 169 D HN 0.330 nan 8.370 nan 0.000 0.626 170 S N -0.427 115.279 115.700 0.011 0.000 2.407 170 S HA -0.268 4.186 4.470 -0.026 0.000 0.244 170 S C 1.929 176.519 174.600 -0.017 0.000 1.077 170 S CA 2.701 60.900 58.200 -0.003 0.000 1.159 170 S CB -1.171 62.027 63.200 -0.003 0.000 1.045 170 S HN 0.731 nan 8.310 nan 0.000 0.438 171 T N 1.533 116.086 114.554 -0.001 0.000 2.665 171 T HA -0.087 4.248 4.350 -0.026 0.000 0.268 171 T C 2.066 176.763 174.700 -0.005 0.000 1.035 171 T CA 1.468 63.571 62.100 0.005 0.000 1.151 171 T CB -1.059 67.828 68.868 0.031 0.000 0.862 171 T HN 0.593 nan 8.240 nan 0.000 0.438 172 G N 0.981 109.788 108.800 0.010 0.000 2.408 172 G HA2 0.048 3.992 3.960 -0.026 0.000 0.217 172 G HA3 0.048 3.992 3.960 -0.026 0.000 0.217 172 G C 1.848 176.681 174.900 -0.113 0.000 1.150 172 G CA 0.749 45.870 45.100 0.035 0.000 0.776 172 G HN 0.602 nan 8.290 nan 0.000 0.542 173 A N 0.600 123.292 122.820 -0.213 0.000 1.978 173 A HA 0.105 4.409 4.320 -0.026 0.000 0.220 173 A C 2.168 179.448 177.584 -0.506 0.000 1.170 173 A CA 0.928 52.599 52.037 -0.610 0.000 0.636 173 A CB -0.314 18.568 19.000 -0.198 0.000 0.810 173 A HN 0.363 nan 8.150 nan 0.000 0.448 174 L N -1.239 119.872 121.223 -0.186 0.000 2.627 174 L HA 0.086 4.410 4.340 -0.026 0.000 0.233 174 L C 1.715 178.572 176.870 -0.023 0.000 1.144 174 L CA 0.570 55.372 54.840 -0.063 0.000 0.892 174 L CB 0.009 42.045 42.059 -0.037 0.000 1.039 174 L HN 0.312 nan 8.230 nan 0.000 0.442 175 E N -0.896 119.255 120.200 -0.081 0.000 2.641 175 E HA 0.129 4.463 4.350 -0.026 0.000 0.224 175 E C 0.023 176.715 176.600 0.153 0.000 0.951 175 E CA -0.322 56.108 56.400 0.049 0.000 1.102 175 E CB 0.385 30.116 29.700 0.051 0.000 1.091 175 E HN -0.014 nan 8.360 nan 0.000 0.507 176 F N 1.639 121.604 119.950 0.024 0.000 2.612 176 F HA 0.061 4.572 4.527 -0.026 0.000 0.389 176 F C 1.426 177.215 175.800 -0.019 0.000 1.055 176 F CA 0.259 58.177 58.000 -0.137 0.000 1.232 176 F CB 0.273 38.922 39.000 -0.587 0.000 1.044 176 F HN -0.006 nan 8.300 nan 0.000 0.560 177 Q N 1.731 121.624 119.800 0.154 0.000 2.247 177 Q HA 0.523 4.847 4.340 -0.026 0.000 0.205 177 Q C -0.460 175.585 176.000 0.075 0.000 0.896 177 Q CA 0.032 55.901 55.803 0.110 0.000 0.950 177 Q CB 0.241 29.018 28.738 0.065 0.000 1.054 177 Q HN 0.691 nan 8.270 nan 0.000 0.482 178 A N -1.668 121.175 122.820 0.039 0.000 2.597 178 A HA 0.524 4.828 4.320 -0.026 0.000 0.292 178 A C -1.486 176.038 177.584 -0.100 0.000 1.057 178 A CA -0.737 51.297 52.037 -0.004 0.000 0.674 178 A CB 0.859 19.828 19.000 -0.051 0.000 1.278 178 A HN -0.080 nan 8.150 nan 0.000 0.416 179 V N 3.356 123.268 119.914 -0.003 0.000 2.455 179 V HA 0.352 4.457 4.120 -0.026 0.000 0.273 179 V C -1.779 174.245 176.094 -0.117 0.000 1.045 179 V CA -0.898 61.410 62.300 0.014 0.000 0.976 179 V CB 0.732 32.666 31.823 0.185 0.000 0.993 179 V HN 0.756 nan 8.190 nan 0.000 0.475 180 P HA 0.090 nan 4.420 nan 0.000 0.263 180 P C 0.467 177.733 177.300 -0.058 0.000 1.195 180 P CA -0.017 62.939 63.100 -0.240 0.000 0.762 180 P CB 0.829 32.314 31.700 -0.358 0.000 0.799 181 K N 1.525 121.903 120.400 -0.037 0.000 2.097 181 K HA -0.075 4.230 4.320 -0.026 0.000 0.206 181 K C 1.129 177.761 176.600 0.053 0.000 1.049 181 K CA 1.175 57.472 56.287 0.017 0.000 0.933 181 K CB 0.069 32.572 32.500 0.005 0.000 0.717 181 K HN 0.360 nan 8.250 nan 0.000 0.442 182 K N 0.745 121.182 120.400 0.061 0.000 2.464 182 K HA 0.366 4.670 4.320 -0.026 0.000 0.253 182 K C -1.806 174.903 176.600 0.182 0.000 0.933 182 K CA -0.858 55.511 56.287 0.136 0.000 0.801 182 K CB 1.851 34.424 32.500 0.121 0.000 1.271 182 K HN -0.037 nan 8.250 nan 0.000 0.430 183 L N 0.623 121.985 121.223 0.231 0.000 2.472 183 L HA 0.763 5.088 4.340 -0.026 0.000 0.260 183 L C -1.055 175.775 176.870 -0.067 0.000 0.963 183 L CA -0.134 54.771 54.840 0.108 0.000 0.829 183 L CB 2.267 44.383 42.059 0.096 0.000 1.348 183 L HN 0.638 nan 8.230 nan 0.000 0.408 184 G N 2.536 111.049 108.800 -0.479 0.000 2.519 184 G HA2 0.704 4.649 3.960 -0.026 0.000 0.307 184 G HA3 0.704 4.649 3.960 -0.026 0.000 0.307 184 G C -1.935 172.684 174.900 -0.467 0.000 1.266 184 G CA -0.657 43.828 45.100 -1.026 0.000 0.970 184 G HN 0.602 nan 8.290 nan 0.000 0.481 185 V N 1.540 121.259 119.914 -0.325 0.000 2.760 185 V HA 0.480 4.585 4.120 -0.026 0.000 0.309 185 V C -0.587 175.422 176.094 -0.141 0.000 1.077 185 V CA -0.588 61.624 62.300 -0.147 0.000 0.910 185 V CB 1.992 33.787 31.823 -0.048 0.000 1.008 185 V HN 0.676 nan 8.190 nan 0.000 0.424 186 I N 3.744 124.259 120.570 -0.090 0.000 2.382 186 I HA 0.765 4.919 4.170 -0.026 0.000 0.285 186 I C 0.439 176.535 176.117 -0.034 0.000 1.007 186 I CA -0.152 61.104 61.300 -0.073 0.000 1.142 186 I CB 1.605 39.575 38.000 -0.051 0.000 1.289 186 I HN 0.895 nan 8.210 nan 0.000 0.453 187 G N 4.518 113.302 108.800 -0.027 0.000 3.326 187 G HA2 0.186 4.130 3.960 -0.026 0.000 0.681 187 G HA3 0.186 4.130 3.960 -0.026 0.000 0.681 187 G C -0.587 174.318 174.900 0.008 0.000 1.255 187 G CA -0.396 44.701 45.100 -0.005 0.000 0.976 187 G HN 0.858 nan 8.290 nan 0.000 0.563 188 A N 1.556 124.389 122.820 0.021 0.000 3.290 188 A HA 0.814 5.119 4.320 -0.026 0.000 0.297 188 A C 1.106 178.663 177.584 -0.045 0.000 1.285 188 A CA 0.877 52.947 52.037 0.055 0.000 1.060 188 A CB -0.087 19.012 19.000 0.166 0.000 1.114 188 A HN 2.025 nan 8.150 nan 0.000 0.601 189 G N -1.192 107.589 108.800 -0.032 0.000 2.820 189 G HA2 0.436 4.381 3.960 -0.026 0.000 0.291 189 G HA3 0.436 4.381 3.960 -0.026 0.000 0.291 189 G C 0.949 175.838 174.900 -0.019 0.000 1.323 189 G CA -0.049 45.021 45.100 -0.049 0.000 1.055 189 G HN 0.178 nan 8.290 nan 0.000 0.520 190 V N 0.214 120.125 119.914 -0.005 0.000 2.250 190 V HA -0.249 3.856 4.120 -0.026 0.000 0.250 190 V C 2.754 178.869 176.094 0.034 0.000 1.060 190 V CA 2.045 64.358 62.300 0.022 0.000 1.030 190 V CB -0.754 31.082 31.823 0.023 0.000 0.643 190 V HN 0.590 nan 8.190 nan 0.000 0.445 191 I N 0.341 120.925 120.570 0.024 0.000 2.546 191 I HA -0.070 4.085 4.170 -0.026 0.000 0.255 191 I C 2.489 178.624 176.117 0.030 0.000 1.163 191 I CA 1.284 62.598 61.300 0.024 0.000 1.457 191 I CB -0.772 37.237 38.000 0.014 0.000 1.092 191 I HN 0.391 nan 8.210 nan 0.000 0.434 192 G N 1.186 110.004 108.800 0.030 0.000 2.404 192 G HA2 -0.137 3.808 3.960 -0.026 0.000 0.214 192 G HA3 -0.137 3.808 3.960 -0.026 0.000 0.214 192 G C 1.680 176.616 174.900 0.059 0.000 1.189 192 G CA 0.322 45.446 45.100 0.039 0.000 0.789 192 G HN 0.214 nan 8.290 nan 0.000 0.533 193 L N 0.241 121.504 121.223 0.067 0.000 2.042 193 L HA -0.098 4.226 4.340 -0.026 0.000 0.210 193 L C 2.956 179.870 176.870 0.074 0.000 1.076 193 L CA 1.484 56.380 54.840 0.093 0.000 0.749 193 L CB -0.435 41.687 42.059 0.104 0.000 0.893 193 L HN 0.323 nan 8.230 nan 0.000 0.432 194 E N -0.345 119.890 120.200 0.058 0.000 2.072 194 E HA -0.171 4.164 4.350 -0.026 0.000 0.190 194 E C 2.205 178.811 176.600 0.010 0.000 0.982 194 E CA 0.696 57.120 56.400 0.039 0.000 0.803 194 E CB 0.015 29.742 29.700 0.046 0.000 0.755 194 E HN 0.269 nan 8.360 nan 0.000 0.453 195 L N 0.654 121.895 121.223 0.030 0.000 2.141 195 L HA -0.040 4.284 4.340 -0.026 0.000 0.209 195 L C 2.402 179.348 176.870 0.127 0.000 1.094 195 L CA 1.597 56.470 54.840 0.055 0.000 0.763 195 L CB -1.699 40.413 42.059 0.089 0.000 0.908 195 L HN 0.182 nan 8.230 nan 0.000 0.437 196 G N -0.574 108.294 108.800 0.113 0.000 2.514 196 G HA2 -0.295 3.650 3.960 -0.026 0.000 0.217 196 G HA3 -0.295 3.650 3.960 -0.026 0.000 0.217 196 G C 1.759 176.718 174.900 0.098 0.000 1.198 196 G CA 1.139 46.316 45.100 0.128 0.000 0.780 196 G HN 0.421 nan 8.290 nan 0.000 0.565 197 S N 0.039 115.766 115.700 0.045 0.000 2.374 197 S HA -0.156 4.299 4.470 -0.026 0.000 0.227 197 S C 2.518 177.085 174.600 -0.056 0.000 1.037 197 S CA 1.341 59.547 58.200 0.010 0.000 1.024 197 S CB -0.412 62.794 63.200 0.009 0.000 0.861 197 S HN 0.203 nan 8.310 nan 0.000 0.456 198 V N 0.019 119.831 119.914 -0.170 0.000 2.287 198 V HA -0.219 3.885 4.120 -0.026 0.000 0.248 198 V C 1.917 177.754 176.094 -0.428 0.000 1.053 198 V CA 1.735 63.785 62.300 -0.417 0.000 1.027 198 V CB -0.803 30.577 31.823 -0.739 0.000 0.646 198 V HN 0.612 nan 8.190 nan 0.000 0.447 199 W N -0.455 120.879 121.300 0.058 0.000 2.476 199 W HA 0.133 4.777 4.660 -0.026 0.000 0.281 199 W C 2.580 179.152 176.519 0.089 0.000 1.230 199 W CA 0.679 58.079 57.345 0.091 0.000 1.287 199 W CB -0.339 29.209 29.460 0.146 0.000 1.108 199 W HN 0.157 nan 8.180 nan 0.000 0.567 200 A N 0.732 123.684 122.820 0.221 0.000 1.902 200 A HA -0.205 4.099 4.320 -0.026 0.000 0.217 200 A C 1.839 179.508 177.584 0.142 0.000 1.181 200 A CA 1.683 53.821 52.037 0.169 0.000 0.623 200 A CB -0.678 18.396 19.000 0.123 0.000 0.818 200 A HN 0.199 nan 8.150 nan 0.000 0.443 201 R N -0.354 120.196 120.500 0.083 0.000 2.127 201 R HA -0.016 4.308 4.340 -0.026 0.000 0.238 201 R C 1.366 177.808 176.300 0.237 0.000 1.134 201 R CA 1.205 57.362 56.100 0.095 0.000 0.975 201 R CB -0.281 30.022 30.300 0.005 0.000 0.865 201 R HN 0.501 nan 8.270 nan 0.000 0.447 202 L N -1.441 119.898 121.223 0.195 0.000 2.611 202 L HA 0.319 4.643 4.340 -0.026 0.000 0.229 202 L C 0.891 177.900 176.870 0.232 0.000 1.137 202 L CA 0.789 55.751 54.840 0.203 0.000 0.901 202 L CB 0.211 42.309 42.059 0.065 0.000 1.098 202 L HN 0.538 nan 8.230 nan 0.000 0.456 203 G N 0.002 108.936 108.800 0.224 0.000 2.229 203 G HA2 -0.169 3.775 3.960 -0.026 0.000 0.189 203 G HA3 -0.169 3.775 3.960 -0.026 0.000 0.189 203 G C 0.473 175.474 174.900 0.169 0.000 1.000 203 G CA -0.135 45.075 45.100 0.183 0.000 0.663 203 G HN 0.448 nan 8.290 nan 0.000 0.493 204 A N 0.468 123.413 122.820 0.209 0.000 2.477 204 A HA 0.548 4.853 4.320 -0.026 0.000 0.246 204 A C 0.417 178.099 177.584 0.162 0.000 1.078 204 A CA 0.472 52.624 52.037 0.193 0.000 0.770 204 A CB 0.248 19.410 19.000 0.270 0.000 1.011 204 A HN 0.415 nan 8.150 nan 0.000 0.494 205 E N 2.060 122.343 120.200 0.139 0.000 2.003 205 E HA 0.350 4.684 4.350 -0.026 0.000 0.279 205 E C -0.920 175.774 176.600 0.157 0.000 1.132 205 E CA -0.209 56.272 56.400 0.135 0.000 0.888 205 E CB 0.406 30.178 29.700 0.119 0.000 1.056 205 E HN 0.444 nan 8.360 nan 0.000 0.399 206 V N 3.798 123.798 119.914 0.144 0.000 2.481 206 V HA 0.277 4.382 4.120 -0.026 0.000 0.286 206 V C 0.290 176.452 176.094 0.113 0.000 1.042 206 V CA -0.355 62.022 62.300 0.129 0.000 0.928 206 V CB 1.855 33.751 31.823 0.122 0.000 0.986 206 V HN 0.604 nan 8.190 nan 0.000 0.462 207 T N 3.803 118.407 114.554 0.082 0.000 2.861 207 T HA 0.607 4.942 4.350 -0.026 0.000 0.287 207 T C -0.718 173.953 174.700 -0.048 0.000 1.003 207 T CA -0.396 61.748 62.100 0.073 0.000 0.977 207 T CB 1.804 70.811 68.868 0.232 0.000 0.996 207 T HN 0.346 nan 8.240 nan 0.000 0.448 208 V N 4.521 124.413 119.914 -0.037 0.000 2.444 208 V HA 0.475 4.579 4.120 -0.026 0.000 0.294 208 V C -0.501 175.541 176.094 -0.086 0.000 1.022 208 V CA -0.815 61.452 62.300 -0.056 0.000 0.850 208 V CB 1.356 33.191 31.823 0.021 0.000 0.992 208 V HN 0.704 nan 8.190 nan 0.000 0.426 209 L N 4.299 125.432 121.223 -0.150 0.000 2.295 209 L HA 0.791 5.115 4.340 -0.026 0.000 0.285 209 L C -0.280 176.529 176.870 -0.102 0.000 1.035 209 L CA -0.334 54.386 54.840 -0.201 0.000 0.806 209 L CB 1.606 43.461 42.059 -0.340 0.000 1.214 209 L HN 0.687 nan 8.230 nan 0.000 0.426 210 E N 1.944 122.108 120.200 -0.060 0.000 2.278 210 E HA 0.479 4.814 4.350 -0.026 0.000 0.272 210 E C -0.131 176.471 176.600 0.003 0.000 0.890 210 E CA -0.378 56.017 56.400 -0.008 0.000 0.770 210 E CB 1.979 31.704 29.700 0.041 0.000 1.212 210 E HN 0.543 nan 8.360 nan 0.000 0.415 211 A N 4.187 127.013 122.820 0.009 0.000 2.070 211 A HA 0.086 4.391 4.320 -0.026 0.000 0.220 211 A C 0.520 178.123 177.584 0.033 0.000 1.159 211 A CA 0.743 52.794 52.037 0.024 0.000 0.656 211 A CB -0.303 18.712 19.000 0.025 0.000 0.800 211 A HN 0.498 nan 8.150 nan 0.000 0.453 212 L N -0.398 120.846 121.223 0.035 0.000 2.375 212 L HA 0.275 4.599 4.340 -0.026 0.000 0.268 212 L C 0.679 177.579 176.870 0.051 0.000 1.058 212 L CA -0.076 54.787 54.840 0.039 0.000 0.803 212 L CB 0.929 43.007 42.059 0.032 0.000 1.212 212 L HN 0.184 nan 8.230 nan 0.000 0.451 213 D N 0.446 120.874 120.400 0.046 0.000 2.355 213 D HA -0.008 4.617 4.640 -0.026 0.000 0.218 213 D C -0.081 176.256 176.300 0.062 0.000 1.004 213 D CA 0.796 54.826 54.000 0.050 0.000 0.880 213 D CB 0.424 41.247 40.800 0.038 0.000 0.911 213 D HN 0.279 nan 8.370 nan 0.000 0.528 214 K N 1.060 121.499 120.400 0.065 0.000 2.358 214 K HA 0.206 4.510 4.320 -0.026 0.000 0.260 214 K C -0.510 176.161 176.600 0.117 0.000 0.956 214 K CA -0.874 55.459 56.287 0.077 0.000 0.834 214 K CB 1.808 34.331 32.500 0.037 0.000 1.102 214 K HN -0.128 nan 8.250 nan 0.000 0.431 215 F N 3.156 123.100 119.950 -0.010 0.000 2.471 215 F HA 0.072 4.584 4.527 -0.025 0.000 0.353 215 F C 1.161 176.952 175.800 -0.014 0.000 1.113 215 F CA -0.186 57.809 58.000 -0.008 0.000 1.262 215 F CB 0.268 39.262 39.000 -0.011 0.000 1.146 215 F HN 0.589 nan 8.300 nan 0.000 0.578 216 L N 6.643 127.484 121.223 -0.636 0.000 3.954 216 L HA -0.241 4.084 4.340 -0.026 0.000 0.462 216 L C -1.366 175.391 176.870 -0.188 0.000 1.195 216 L CA -0.197 54.377 54.840 -0.442 0.000 0.739 216 L CB -0.954 40.777 42.059 -0.547 0.000 1.599 216 L HN 0.612 nan 8.230 nan 0.000 0.838 217 P HA -0.188 nan 4.420 nan 0.000 0.229 217 P C 1.121 178.392 177.300 -0.048 0.000 1.150 217 P CA 1.696 64.761 63.100 -0.058 0.000 0.765 217 P CB 0.247 31.932 31.700 -0.025 0.000 0.783 218 A N -0.840 121.965 122.820 -0.024 0.000 2.197 218 A HA 0.497 4.801 4.320 -0.026 0.000 0.210 218 A C 1.403 178.909 177.584 -0.130 0.000 1.180 218 A CA 0.333 52.401 52.037 0.052 0.000 0.846 218 A CB -0.372 18.768 19.000 0.233 0.000 0.884 218 A HN 0.292 nan 8.150 nan 0.000 0.487 219 A N 0.264 122.815 122.820 -0.448 0.000 2.287 219 A HA 0.448 4.753 4.320 -0.026 0.000 0.273 219 A C -0.183 177.043 177.584 -0.596 0.000 1.091 219 A CA -0.042 51.329 52.037 -1.110 0.000 0.817 219 A CB -0.083 18.310 19.000 -1.012 0.000 1.069 219 A HN 0.411 nan 8.150 nan 0.000 0.492 220 D N -0.352 119.687 120.400 -0.602 0.000 2.389 220 D HA 0.111 4.736 4.640 -0.026 0.000 0.247 220 D C 1.079 177.206 176.300 -0.288 0.000 1.128 220 D CA 0.248 53.983 54.000 -0.442 0.000 0.884 220 D CB 0.601 40.984 40.800 -0.696 0.000 1.194 220 D HN 0.626 nan 8.370 nan 0.000 0.441 221 E N 1.700 121.777 120.200 -0.205 0.000 2.136 221 E HA -0.358 3.977 4.350 -0.026 0.000 0.202 221 E C 1.547 178.086 176.600 -0.101 0.000 1.019 221 E CA 1.515 57.841 56.400 -0.123 0.000 0.819 221 E CB 0.138 29.780 29.700 -0.097 0.000 0.739 221 E HN 0.637 nan 8.360 nan 0.000 0.458 222 Q N -0.520 119.204 119.800 -0.127 0.000 2.119 222 Q HA -0.156 4.169 4.340 -0.026 0.000 0.201 222 Q C 2.091 178.049 176.000 -0.070 0.000 0.972 222 Q CA 0.943 56.691 55.803 -0.091 0.000 0.847 222 Q CB 0.138 28.814 28.738 -0.102 0.000 0.903 222 Q HN 0.357 nan 8.270 nan 0.000 0.433 223 I N 0.264 120.772 120.570 -0.102 0.000 2.286 223 I HA -0.174 3.981 4.170 -0.026 0.000 0.245 223 I C 2.394 178.500 176.117 -0.018 0.000 1.104 223 I CA 1.107 62.370 61.300 -0.061 0.000 1.397 223 I CB -1.690 36.245 38.000 -0.109 0.000 1.072 223 I HN 0.121 nan 8.210 nan 0.000 0.417 224 A N 1.574 124.373 122.820 -0.034 0.000 1.859 224 A HA -0.277 4.028 4.320 -0.026 0.000 0.217 224 A C 2.437 180.102 177.584 0.135 0.000 1.198 224 A CA 2.313 54.411 52.037 0.101 0.000 0.629 224 A CB -0.740 18.294 19.000 0.057 0.000 0.830 224 A HN 0.320 nan 8.150 nan 0.000 0.446 225 K N -0.061 120.363 120.400 0.041 0.000 2.074 225 K HA -0.241 4.063 4.320 -0.026 0.000 0.209 225 K C 1.836 178.430 176.600 -0.010 0.000 1.048 225 K CA 2.335 58.624 56.287 0.003 0.000 0.926 225 K CB -0.292 32.199 32.500 -0.016 0.000 0.713 225 K HN 0.418 nan 8.250 nan 0.000 0.444 226 E N 0.261 120.463 120.200 0.003 0.000 2.107 226 E HA -0.003 4.332 4.350 -0.026 0.000 0.191 226 E C 1.760 178.370 176.600 0.016 0.000 0.982 226 E CA 1.416 57.818 56.400 0.004 0.000 0.809 226 E CB -0.289 29.418 29.700 0.011 0.000 0.756 226 E HN 0.362 nan 8.360 nan 0.000 0.459 227 A N 0.593 123.451 122.820 0.063 0.000 1.877 227 A HA -0.142 4.163 4.320 -0.026 0.000 0.216 227 A C 2.163 179.764 177.584 0.030 0.000 1.186 227 A CA 1.577 53.687 52.037 0.120 0.000 0.620 227 A CB -0.865 18.313 19.000 0.296 0.000 0.822 227 A HN 0.378 nan 8.150 nan 0.000 0.443 228 L N 0.261 121.404 121.223 -0.134 0.000 2.017 228 L HA -0.149 4.175 4.340 -0.026 0.000 0.208 228 L C 2.290 179.006 176.870 -0.255 0.000 1.073 228 L CA 2.777 57.303 54.840 -0.523 0.000 0.745 228 L CB -0.779 40.840 42.059 -0.734 0.000 0.894 228 L HN 0.499 nan 8.230 nan 0.000 0.432 229 K N -0.931 119.385 120.400 -0.140 0.000 2.063 229 K HA -0.161 4.144 4.320 -0.026 0.000 0.208 229 K C 1.829 178.401 176.600 -0.047 0.000 1.048 229 K CA 2.113 58.352 56.287 -0.080 0.000 0.928 229 K CB -0.167 32.303 32.500 -0.049 0.000 0.713 229 K HN 0.326 nan 8.250 nan 0.000 0.442 230 V N 1.632 121.530 119.914 -0.028 0.000 2.358 230 V HA -0.230 3.875 4.120 -0.026 0.000 0.246 230 V C 2.341 178.439 176.094 0.007 0.000 1.047 230 V CA 1.552 63.855 62.300 0.004 0.000 1.035 230 V CB -0.331 31.503 31.823 0.019 0.000 0.658 230 V HN 0.324 nan 8.190 nan 0.000 0.452 231 L N 0.368 121.584 121.223 -0.012 0.000 2.156 231 L HA -0.111 4.213 4.340 -0.026 0.000 0.208 231 L C 2.774 179.640 176.870 -0.007 0.000 1.095 231 L CA 1.797 56.641 54.840 0.008 0.000 0.770 231 L CB -0.945 41.131 42.059 0.029 0.000 0.914 231 L HN 0.565 nan 8.230 nan 0.000 0.439 232 T N -2.575 111.948 114.554 -0.051 0.000 2.777 232 T HA -0.245 4.090 4.350 -0.026 0.000 0.266 232 T C 1.870 176.570 174.700 0.000 0.000 1.040 232 T CA 0.985 63.064 62.100 -0.036 0.000 1.141 232 T CB -0.225 68.601 68.868 -0.069 0.000 0.868 232 T HN 0.148 nan 8.240 nan 0.000 0.444 233 K N 0.851 121.253 120.400 0.003 0.000 2.280 233 K HA -0.056 4.248 4.320 -0.026 0.000 0.202 233 K C 2.511 179.141 176.600 0.051 0.000 1.047 233 K CA 0.915 57.217 56.287 0.026 0.000 0.942 233 K CB -0.134 32.381 32.500 0.024 0.000 0.739 233 K HN 0.472 nan 8.250 nan 0.000 0.457 234 Q N -1.241 118.592 119.800 0.055 0.000 2.435 234 Q HA -0.050 4.275 4.340 -0.026 0.000 0.207 234 Q C 0.622 176.669 176.000 0.078 0.000 0.956 234 Q CA 1.046 56.895 55.803 0.078 0.000 0.917 234 Q CB 0.425 29.200 28.738 0.062 0.000 0.997 234 Q HN 0.513 nan 8.270 nan 0.000 0.497 235 G N -0.425 108.414 108.800 0.064 0.000 2.273 235 G HA2 -0.137 3.808 3.960 -0.026 0.000 0.162 235 G HA3 -0.137 3.808 3.960 -0.026 0.000 0.162 235 G C -0.251 174.689 174.900 0.067 0.000 1.006 235 G CA -0.240 44.903 45.100 0.071 0.000 0.704 235 G HN 0.184 nan 8.290 nan 0.000 0.487 236 L N 1.539 122.794 121.223 0.054 0.000 2.260 236 L HA 0.470 4.795 4.340 -0.026 0.000 0.289 236 L C 0.152 177.044 176.870 0.036 0.000 1.057 236 L CA -0.908 53.966 54.840 0.056 0.000 0.811 236 L CB 1.206 43.300 42.059 0.059 0.000 1.184 236 L HN 0.098 nan 8.230 nan 0.000 0.429 237 N N 4.465 123.194 118.700 0.049 0.000 2.508 237 N HA 0.287 5.012 4.740 -0.026 0.000 0.253 237 N C -0.629 174.897 175.510 0.027 0.000 1.145 237 N CA -0.088 52.987 53.050 0.042 0.000 0.973 237 N CB 0.178 38.708 38.487 0.073 0.000 1.305 237 N HN 0.481 nan 8.380 nan 0.000 0.506 238 I N 3.348 123.917 120.570 -0.001 0.000 2.342 238 I HA 0.272 4.427 4.170 -0.026 0.000 0.291 238 I C 0.461 176.574 176.117 -0.006 0.000 1.010 238 I CA -0.528 60.771 61.300 -0.002 0.000 1.308 238 I CB 0.769 38.747 38.000 -0.036 0.000 1.400 238 I HN 0.209 nan 8.210 nan 0.000 0.488 239 R N 7.325 127.820 120.500 -0.008 0.000 2.337 239 R HA 0.541 4.866 4.340 -0.026 0.000 0.319 239 R C -0.847 175.454 176.300 0.001 0.000 0.954 239 R CA -0.813 55.283 56.100 -0.006 0.000 0.840 239 R CB 1.707 31.986 30.300 -0.036 0.000 1.164 239 R HN 0.550 nan 8.270 nan 0.000 0.472 240 L N 0.721 121.961 121.223 0.029 0.000 2.439 240 L HA 0.266 4.590 4.340 -0.026 0.000 0.261 240 L C 1.370 178.266 176.870 0.044 0.000 1.153 240 L CA 0.129 54.997 54.840 0.047 0.000 0.808 240 L CB 0.870 42.966 42.059 0.063 0.000 1.126 240 L HN 0.941 nan 8.230 nan 0.000 0.460 241 G N 1.694 110.522 108.800 0.046 0.000 2.296 241 G HA2 -0.242 3.703 3.960 -0.026 0.000 0.282 241 G HA3 -0.242 3.703 3.960 -0.026 0.000 0.282 241 G C 0.205 175.142 174.900 0.062 0.000 1.014 241 G CA 0.387 45.517 45.100 0.050 0.000 0.812 241 G HN 0.895 nan 8.290 nan 0.000 0.508 242 A N 0.098 122.941 122.820 0.039 0.000 2.249 242 A HA 0.776 5.080 4.320 -0.026 0.000 0.314 242 A C 0.583 178.198 177.584 0.052 0.000 1.290 242 A CA -0.572 51.505 52.037 0.066 0.000 0.893 242 A CB 0.563 19.496 19.000 -0.112 0.000 1.165 242 A HN 0.473 nan 8.150 nan 0.000 0.530 243 R N 1.968 122.545 120.500 0.130 0.000 2.229 243 R HA 0.438 4.763 4.340 -0.026 0.000 0.328 243 R C -0.841 175.558 176.300 0.164 0.000 1.009 243 R CA -0.574 55.591 56.100 0.109 0.000 0.864 243 R CB 1.584 31.941 30.300 0.096 0.000 1.085 243 R HN 0.463 nan 8.270 nan 0.000 0.453 244 V N 3.326 123.316 119.914 0.126 0.000 2.508 244 V HA 0.017 4.121 4.120 -0.026 0.000 0.281 244 V C 0.850 177.021 176.094 0.129 0.000 1.041 244 V CA 0.406 62.804 62.300 0.164 0.000 1.016 244 V CB 1.348 33.237 31.823 0.111 0.000 0.984 244 V HN 0.898 nan 8.190 nan 0.000 0.478 245 T N 3.191 117.827 114.554 0.137 0.000 3.046 245 T HA 0.435 4.769 4.350 -0.026 0.000 0.242 245 T C 0.438 175.185 174.700 0.079 0.000 1.018 245 T CA 0.899 63.053 62.100 0.091 0.000 1.131 245 T CB 0.503 69.417 68.868 0.076 0.000 0.904 245 T HN 0.836 nan 8.240 nan 0.000 0.459 246 A N 0.270 123.146 122.820 0.093 0.000 2.594 246 A HA 0.737 5.042 4.320 -0.026 0.000 0.295 246 A C -0.848 176.791 177.584 0.093 0.000 1.071 246 A CA -0.629 51.453 52.037 0.076 0.000 0.685 246 A CB 1.551 20.583 19.000 0.053 0.000 1.285 246 A HN 0.130 nan 8.150 nan 0.000 0.405 247 S N -0.054 115.693 115.700 0.078 0.000 2.648 247 S HA 0.790 5.244 4.470 -0.026 0.000 0.305 247 S C -0.745 173.889 174.600 0.058 0.000 1.094 247 S CA -0.547 57.703 58.200 0.084 0.000 0.983 247 S CB 1.719 64.967 63.200 0.080 0.000 1.101 247 S HN 0.726 nan 8.310 nan 0.000 0.514 248 E N 1.353 121.585 120.200 0.053 0.000 2.404 248 E HA 0.345 4.679 4.350 -0.026 0.000 0.298 248 E C -1.823 174.796 176.600 0.031 0.000 0.908 248 E CA -0.331 56.089 56.400 0.033 0.000 0.808 248 E CB 0.981 30.694 29.700 0.022 0.000 1.380 248 E HN 0.360 nan 8.360 nan 0.000 0.392 249 V N 4.405 124.335 119.914 0.026 0.000 2.546 249 V HA 0.490 4.595 4.120 -0.026 0.000 0.284 249 V C 0.039 176.138 176.094 0.009 0.000 1.050 249 V CA -0.009 62.304 62.300 0.021 0.000 0.981 249 V CB 1.320 33.155 31.823 0.019 0.000 0.990 249 V HN 0.618 nan 8.190 nan 0.000 0.474 250 K N 4.100 124.501 120.400 0.003 0.000 2.583 250 K HA 0.292 4.596 4.320 -0.026 0.000 0.260 250 K C -0.237 176.358 176.600 -0.010 0.000 0.931 250 K CA -0.696 55.588 56.287 -0.004 0.000 0.849 250 K CB 1.076 33.573 32.500 -0.005 0.000 1.347 250 K HN 0.710 nan 8.250 nan 0.000 0.425 251 K N 3.678 124.071 120.400 -0.011 0.000 3.177 251 K HA -0.271 4.033 4.320 -0.026 0.000 0.266 251 K C -0.973 175.616 176.600 -0.020 0.000 0.937 251 K CA 1.992 58.270 56.287 -0.015 0.000 0.702 251 K CB -1.775 30.715 32.500 -0.016 0.000 1.365 251 K HN 0.876 nan 8.250 nan 0.000 0.466 252 K N -1.295 119.093 120.400 -0.019 0.000 3.192 252 K HA -0.247 4.057 4.320 -0.026 0.000 0.278 252 K C -0.450 176.133 176.600 -0.027 0.000 1.164 252 K CA 1.714 57.985 56.287 -0.027 0.000 0.816 252 K CB -1.265 31.214 32.500 -0.036 0.000 1.256 252 K HN 0.789 nan 8.250 nan 0.000 0.497 253 Q N -0.568 119.223 119.800 -0.015 0.000 2.553 253 Q HA 0.732 5.056 4.340 -0.026 0.000 0.293 253 Q C -1.574 174.435 176.000 0.015 0.000 1.038 253 Q CA -0.946 54.854 55.803 -0.005 0.000 0.777 253 Q CB 3.366 32.093 28.738 -0.018 0.000 1.487 253 Q HN 0.085 nan 8.270 nan 0.000 0.426 254 V N -0.211 119.730 119.914 0.045 0.000 2.925 254 V HA 0.745 4.850 4.120 -0.026 0.000 0.311 254 V C -1.632 174.504 176.094 0.070 0.000 1.104 254 V CA -0.121 62.222 62.300 0.070 0.000 0.954 254 V CB 2.475 34.364 31.823 0.111 0.000 1.022 254 V HN 0.793 nan 8.190 nan 0.000 0.427 255 T N 5.384 119.971 114.554 0.055 0.000 2.809 255 T HA 0.573 4.907 4.350 -0.026 0.000 0.284 255 T C -0.646 174.114 174.700 0.099 0.000 0.992 255 T CA -0.287 61.826 62.100 0.021 0.000 0.957 255 T CB 1.354 70.211 68.868 -0.018 0.000 0.942 255 T HN 0.628 nan 8.240 nan 0.000 0.439 256 V N 3.717 123.740 119.914 0.182 0.000 2.481 256 V HA 0.479 4.583 4.120 -0.026 0.000 0.286 256 V C 0.447 176.692 176.094 0.251 0.000 1.042 256 V CA -0.473 62.002 62.300 0.290 0.000 0.928 256 V CB 1.787 33.918 31.823 0.513 0.000 0.986 256 V HN 0.932 nan 8.190 nan 0.000 0.462 257 T N 6.351 121.024 114.554 0.199 0.000 2.794 257 T HA 0.763 5.098 4.350 -0.026 0.000 0.280 257 T C -0.718 174.103 174.700 0.201 0.000 0.987 257 T CA -0.131 62.020 62.100 0.084 0.000 0.993 257 T CB 0.609 69.498 68.868 0.035 0.000 0.939 257 T HN 0.552 nan 8.240 nan 0.000 0.449 258 F N -0.808 119.175 119.950 0.055 0.000 2.654 258 F HA 0.697 5.209 4.527 -0.026 0.000 0.308 258 F C -0.713 175.114 175.800 0.044 0.000 1.108 258 F CA -1.103 56.930 58.000 0.056 0.000 0.957 258 F CB 1.007 40.051 39.000 0.075 0.000 1.309 258 F HN 0.262 nan 8.300 nan 0.000 0.446 259 T N 2.404 117.113 114.554 0.258 0.000 2.756 259 T HA 0.404 4.739 4.350 -0.026 0.000 0.290 259 T C -0.555 174.288 174.700 0.238 0.000 0.985 259 T CA -0.414 61.778 62.100 0.154 0.000 0.955 259 T CB 0.958 69.883 68.868 0.096 0.000 0.930 259 T HN 0.755 nan 8.240 nan 0.000 0.451 260 D N 3.168 123.712 120.400 0.241 0.000 2.540 260 D HA 0.518 5.143 4.640 -0.026 0.000 0.229 260 D C 1.740 178.107 176.300 0.112 0.000 1.258 260 D CA -0.417 53.699 54.000 0.194 0.000 1.158 260 D CB -0.416 40.525 40.800 0.236 0.000 1.178 260 D HN 0.377 nan 8.370 nan 0.000 0.541 261 A N -0.713 122.161 122.820 0.090 0.000 1.903 261 A HA -0.007 4.297 4.320 -0.026 0.000 0.213 261 A C 0.893 178.505 177.584 0.046 0.000 1.185 261 A CA 0.666 52.738 52.037 0.060 0.000 0.628 261 A CB -1.143 17.887 19.000 0.051 0.000 0.830 261 A HN 0.624 nan 8.150 nan 0.000 0.446 262 N N 0.581 119.309 118.700 0.047 0.000 3.298 262 N HA 0.394 5.118 4.740 -0.026 0.000 0.292 262 N C 0.892 176.410 175.510 0.014 0.000 1.271 262 N CA -0.021 53.045 53.050 0.027 0.000 1.184 262 N CB 0.283 38.784 38.487 0.023 0.000 1.452 262 N HN 0.498 nan 8.380 nan 0.000 0.534 263 G N 1.902 110.712 108.800 0.017 0.000 2.602 263 G HA2 -0.365 3.580 3.960 -0.026 0.000 0.317 263 G HA3 -0.365 3.580 3.960 -0.026 0.000 0.317 263 G C -0.274 174.605 174.900 -0.035 0.000 1.327 263 G CA -0.071 45.030 45.100 0.001 0.000 0.971 263 G HN 0.573 nan 8.290 nan 0.000 0.540 264 E N 0.786 120.943 120.200 -0.071 0.000 2.338 264 E HA 0.468 4.803 4.350 -0.026 0.000 0.272 264 E C 0.259 176.713 176.600 -0.244 0.000 1.029 264 E CA 0.341 56.651 56.400 -0.151 0.000 0.872 264 E CB 0.815 30.452 29.700 -0.104 0.000 1.015 264 E HN 0.429 nan 8.360 nan 0.000 0.417 265 Q N 0.532 120.034 119.800 -0.497 0.000 2.495 265 Q HA 0.623 4.948 4.340 -0.026 0.000 0.287 265 Q C -1.137 174.428 176.000 -0.725 0.000 1.078 265 Q CA -0.592 54.844 55.803 -0.612 0.000 0.793 265 Q CB 2.136 30.393 28.738 -0.802 0.000 1.459 265 Q HN 0.402 nan 8.270 nan 0.000 0.422 266 K N -0.219 119.918 120.400 -0.438 0.000 2.464 266 K HA 0.859 5.163 4.320 -0.026 0.000 0.253 266 K C -1.123 175.400 176.600 -0.129 0.000 0.933 266 K CA -0.125 56.019 56.287 -0.238 0.000 0.801 266 K CB 1.467 33.883 32.500 -0.140 0.000 1.271 266 K HN 0.715 nan 8.250 nan 0.000 0.430 267 E N 0.223 120.402 120.200 -0.035 0.000 2.340 267 E HA 0.708 5.043 4.350 -0.026 0.000 0.273 267 E C -0.712 175.557 176.600 -0.552 0.000 0.891 267 E CA -0.575 55.696 56.400 -0.215 0.000 0.757 267 E CB 1.794 31.480 29.700 -0.024 0.000 1.231 267 E HN 0.640 nan 8.360 nan 0.000 0.439 268 T N 2.727 116.921 114.554 -0.600 0.000 2.801 268 T HA 0.592 4.927 4.350 -0.026 0.000 0.306 268 T C -0.729 173.634 174.700 -0.562 0.000 1.020 268 T CA -0.125 61.684 62.100 -0.485 0.000 0.948 268 T CB -0.880 67.859 68.868 -0.216 0.000 0.962 268 T HN 0.390 nan 8.240 nan 0.000 0.465 269 F N 0.958 120.923 119.950 0.025 0.000 2.450 269 F HA 0.412 4.924 4.527 -0.025 0.000 0.328 269 F C 1.330 177.115 175.800 -0.025 0.000 1.068 269 F CA -1.326 56.678 58.000 0.006 0.000 1.007 269 F CB 0.685 39.693 39.000 0.014 0.000 1.251 269 F HN 0.336 nan 8.300 nan 0.000 0.492 270 D N -0.093 120.376 120.400 0.115 0.000 2.323 270 D HA 0.064 4.688 4.640 -0.026 0.000 0.209 270 D C 0.075 176.353 176.300 -0.037 0.000 0.973 270 D CA 1.101 55.103 54.000 0.003 0.000 0.874 270 D CB 0.114 40.877 40.800 -0.062 0.000 0.930 270 D HN 0.221 nan 8.370 nan 0.000 0.521 271 K N -0.396 120.005 120.400 0.002 0.000 2.557 271 K HA 0.526 4.831 4.320 -0.026 0.000 0.261 271 K C -2.020 174.584 176.600 0.007 0.000 0.932 271 K CA -0.661 55.578 56.287 -0.080 0.000 0.829 271 K CB 2.501 34.825 32.500 -0.293 0.000 1.358 271 K HN -0.092 nan 8.250 nan 0.000 0.430 272 L N 3.872 125.102 121.223 0.011 0.000 2.470 272 L HA 0.654 4.979 4.340 -0.026 0.000 0.268 272 L C -1.715 175.160 176.870 0.007 0.000 0.964 272 L CA -0.340 54.478 54.840 -0.037 0.000 0.839 272 L CB 1.428 43.496 42.059 0.014 0.000 1.276 272 L HN 0.681 nan 8.230 nan 0.000 0.403 273 I N 5.296 125.857 120.570 -0.015 0.000 2.404 273 I HA 0.441 4.596 4.170 -0.026 0.000 0.293 273 I C -0.703 175.409 176.117 -0.007 0.000 0.992 273 I CA -0.960 60.355 61.300 0.026 0.000 1.149 273 I CB 2.008 40.038 38.000 0.050 0.000 1.315 273 I HN 0.286 nan 8.210 nan 0.000 0.446 274 V N 6.220 126.141 119.914 0.010 0.000 2.318 274 V HA 0.438 4.543 4.120 -0.026 0.000 0.271 274 V C 0.568 176.667 176.094 0.009 0.000 1.030 274 V CA -0.205 62.098 62.300 0.005 0.000 0.844 274 V CB 1.158 32.989 31.823 0.014 0.000 1.015 274 V HN 0.879 nan 8.190 nan 0.000 0.460 275 A N 4.358 127.180 122.820 0.003 0.000 2.812 275 A HA 0.428 4.733 4.320 -0.026 0.000 0.294 275 A C 1.045 178.633 177.584 0.007 0.000 1.014 275 A CA -0.067 51.975 52.037 0.008 0.000 1.024 275 A CB 0.515 19.522 19.000 0.010 0.000 1.162 275 A HN 0.541 nan 8.150 nan 0.000 0.511 276 V N -0.254 119.665 119.914 0.008 0.000 2.515 276 V HA 0.197 4.302 4.120 -0.026 0.000 0.250 276 V C 1.538 177.641 176.094 0.016 0.000 1.058 276 V CA 2.091 64.397 62.300 0.011 0.000 1.064 276 V CB -0.264 31.567 31.823 0.013 0.000 0.675 276 V HN 0.887 nan 8.190 nan 0.000 0.461 277 G N -1.212 107.599 108.800 0.019 0.000 2.348 277 G HA2 0.535 4.479 3.960 -0.026 0.000 0.296 277 G HA3 0.535 4.479 3.960 -0.026 0.000 0.296 277 G C -1.405 173.511 174.900 0.026 0.000 1.258 277 G CA -0.842 44.274 45.100 0.026 0.000 0.868 277 G HN 0.060 nan 8.290 nan 0.000 0.488 278 R N -0.698 119.823 120.500 0.036 0.000 2.680 278 R HA 0.629 4.954 4.340 -0.026 0.000 0.269 278 R C -0.868 175.455 176.300 0.039 0.000 1.026 278 R CA -0.914 55.205 56.100 0.032 0.000 0.889 278 R CB 2.740 33.061 30.300 0.036 0.000 1.241 278 R HN 0.863 nan 8.270 nan 0.000 0.463 279 R N 0.549 121.052 120.500 0.004 0.000 2.725 279 R HA 0.538 4.863 4.340 -0.026 0.000 0.277 279 R C -2.903 173.331 176.300 -0.110 0.000 0.987 279 R CA -2.159 53.905 56.100 -0.061 0.000 0.901 279 R CB 2.052 32.305 30.300 -0.078 0.000 1.207 279 R HN 0.258 nan 8.270 nan 0.000 0.463 280 P HA -0.029 nan 4.420 nan 0.000 0.268 280 P C -0.025 177.191 177.300 -0.141 0.000 1.205 280 P CA -0.331 62.639 63.100 -0.218 0.000 0.771 280 P CB 1.074 32.485 31.700 -0.483 0.000 0.858 281 V N 0.765 120.640 119.914 -0.065 0.000 2.350 281 V HA 0.463 4.567 4.120 -0.026 0.000 0.276 281 V C 0.706 176.780 176.094 -0.033 0.000 1.028 281 V CA -0.082 62.192 62.300 -0.043 0.000 0.860 281 V CB 0.589 32.404 31.823 -0.012 0.000 0.990 281 V HN 0.650 nan 8.190 nan 0.000 0.453 282 T N -0.303 114.230 114.554 -0.035 0.000 3.084 282 T HA 0.106 4.441 4.350 -0.026 0.000 0.270 282 T C 1.353 176.061 174.700 0.013 0.000 1.008 282 T CA 0.522 62.613 62.100 -0.014 0.000 0.900 282 T CB 0.141 68.991 68.868 -0.030 0.000 1.084 282 T HN 0.695 nan 8.240 nan 0.000 0.538 283 T N 2.887 117.455 114.554 0.024 0.000 2.238 283 T HA -0.196 4.139 4.350 -0.026 0.000 0.209 283 T C 0.497 175.251 174.700 0.089 0.000 1.608 283 T CA 2.035 64.167 62.100 0.053 0.000 1.140 283 T CB -0.463 68.445 68.868 0.067 0.000 0.854 283 T HN 0.430 nan 8.240 nan 0.000 0.402 284 D N 0.957 121.471 120.400 0.190 0.000 3.018 284 D HA 0.291 4.916 4.640 -0.026 0.000 0.331 284 D C 0.568 177.012 176.300 0.240 0.000 1.334 284 D CA -0.162 53.934 54.000 0.160 0.000 0.900 284 D CB 0.925 41.754 40.800 0.048 0.000 1.059 284 D HN 0.145 nan 8.370 nan 0.000 0.498 285 L N -0.256 121.044 121.223 0.129 0.000 2.316 285 L HA 0.286 4.611 4.340 -0.026 0.000 0.207 285 L C -0.155 176.755 176.870 0.066 0.000 1.070 285 L CA 0.971 55.864 54.840 0.087 0.000 0.820 285 L CB 0.449 42.524 42.059 0.028 0.000 0.992 285 L HN -0.014 nan 8.230 nan 0.000 0.466 286 L N 0.750 122.003 121.223 0.050 0.000 2.333 286 L HA 0.652 4.976 4.340 -0.026 0.000 0.280 286 L C 0.125 177.012 176.870 0.030 0.000 1.004 286 L CA -0.834 54.026 54.840 0.034 0.000 0.820 286 L CB 1.463 43.537 42.059 0.025 0.000 1.247 286 L HN 0.018 nan 8.230 nan 0.000 0.416 287 A N 2.155 124.989 122.820 0.024 0.000 2.466 287 A HA 0.439 4.744 4.320 -0.026 0.000 0.238 287 A C 1.377 178.967 177.584 0.010 0.000 1.074 287 A CA 0.452 52.498 52.037 0.015 0.000 0.774 287 A CB 0.568 19.574 19.000 0.010 0.000 1.015 287 A HN 0.984 nan 8.150 nan 0.000 0.498 288 A N 1.038 123.861 122.820 0.005 0.000 2.148 288 A HA -0.138 4.167 4.320 -0.026 0.000 0.222 288 A C 0.993 178.578 177.584 0.001 0.000 1.161 288 A CA 1.966 54.005 52.037 0.003 0.000 0.662 288 A CB -0.411 18.589 19.000 -0.000 0.000 0.799 288 A HN 0.884 nan 8.150 nan 0.000 0.466 289 D N -1.750 118.651 120.400 0.001 0.000 2.673 289 D HA 0.061 4.686 4.640 -0.026 0.000 0.278 289 D C 0.974 177.273 176.300 -0.001 0.000 1.393 289 D CA 0.686 54.685 54.000 -0.001 0.000 0.805 289 D CB -0.621 40.177 40.800 -0.002 0.000 1.110 289 D HN 0.381 nan 8.370 nan 0.000 0.476 290 S N 0.113 115.814 115.700 0.002 0.000 2.402 290 S HA 0.135 4.589 4.470 -0.026 0.000 0.229 290 S C 1.995 176.593 174.600 -0.004 0.000 1.021 290 S CA 1.224 59.424 58.200 0.001 0.000 0.974 290 S CB -0.325 62.878 63.200 0.005 0.000 0.800 290 S HN 0.608 nan 8.310 nan 0.000 0.484 291 G N 0.034 108.834 108.800 -0.001 0.000 2.218 291 G HA2 -0.201 3.743 3.960 -0.026 0.000 0.216 291 G HA3 -0.201 3.743 3.960 -0.026 0.000 0.216 291 G C 0.060 174.965 174.900 0.008 0.000 0.994 291 G CA -0.133 44.966 45.100 -0.001 0.000 0.637 291 G HN 0.584 nan 8.290 nan 0.000 0.505 292 V N 2.318 122.240 119.914 0.014 0.000 2.614 292 V HA 0.533 4.637 4.120 -0.026 0.000 0.291 292 V C 0.911 177.031 176.094 0.043 0.000 1.049 292 V CA 0.767 63.086 62.300 0.032 0.000 1.038 292 V CB 1.407 33.246 31.823 0.027 0.000 0.980 292 V HN 0.348 nan 8.190 nan 0.000 0.481 293 T N 6.162 120.762 114.554 0.076 0.000 2.945 293 T HA 0.726 5.060 4.350 -0.026 0.000 0.286 293 T C -0.401 174.363 174.700 0.107 0.000 1.025 293 T CA -0.441 61.700 62.100 0.068 0.000 1.039 293 T CB 1.251 70.145 68.868 0.044 0.000 1.068 293 T HN 0.375 nan 8.240 nan 0.000 0.497 294 L N 1.999 123.267 121.223 0.076 0.000 2.341 294 L HA 0.547 4.871 4.340 -0.026 0.000 0.267 294 L C 0.217 177.147 176.870 0.101 0.000 1.009 294 L CA -1.307 53.593 54.840 0.099 0.000 0.819 294 L CB 1.611 43.699 42.059 0.049 0.000 1.323 294 L HN 0.698 nan 8.230 nan 0.000 0.425 295 D N 0.207 120.701 120.400 0.158 0.000 2.440 295 D HA 0.044 4.668 4.640 -0.026 0.000 0.269 295 D C 0.525 176.882 176.300 0.095 0.000 1.249 295 D CA -0.300 53.788 54.000 0.146 0.000 1.055 295 D CB 0.681 41.621 40.800 0.234 0.000 1.104 295 D HN 0.472 nan 8.370 nan 0.000 0.561 296 E N -0.930 119.324 120.200 0.089 0.000 2.204 296 E HA -0.052 4.282 4.350 -0.026 0.000 0.194 296 E C 1.798 178.436 176.600 0.063 0.000 0.989 296 E CA 1.052 57.488 56.400 0.060 0.000 0.824 296 E CB -0.166 29.566 29.700 0.053 0.000 0.756 296 E HN 0.387 nan 8.360 nan 0.000 0.477 297 R N -1.115 119.454 120.500 0.115 0.000 2.334 297 R HA 0.272 4.596 4.340 -0.026 0.000 0.216 297 R C 0.829 177.060 176.300 -0.116 0.000 0.905 297 R CA 0.550 56.697 56.100 0.077 0.000 1.064 297 R CB 0.754 31.207 30.300 0.255 0.000 1.046 297 R HN 0.263 nan 8.270 nan 0.000 0.508 298 G N 0.136 108.873 108.800 -0.106 0.000 2.201 298 G HA2 -0.243 3.702 3.960 -0.026 0.000 0.212 298 G HA3 -0.243 3.702 3.960 -0.026 0.000 0.212 298 G C -0.016 174.691 174.900 -0.322 0.000 0.994 298 G CA -0.673 44.289 45.100 -0.230 0.000 0.644 298 G HN 0.132 nan 8.290 nan 0.000 0.508 299 F N 1.437 121.405 119.950 0.030 0.000 2.429 299 F HA 0.572 5.085 4.527 -0.023 0.000 0.348 299 F C 1.506 177.334 175.800 0.047 0.000 1.109 299 F CA -0.661 57.356 58.000 0.028 0.000 1.232 299 F CB 0.570 39.581 39.000 0.019 0.000 1.157 299 F HN -0.014 nan 8.300 nan 0.000 0.564 300 I N 2.862 123.557 120.570 0.207 0.000 2.692 300 I HA -0.125 4.030 4.170 -0.026 0.000 0.284 300 I C -0.290 175.939 176.117 0.185 0.000 1.159 300 I CA -0.095 61.301 61.300 0.161 0.000 1.423 300 I CB 0.291 38.356 38.000 0.108 0.000 1.380 300 I HN 0.484 nan 8.210 nan 0.000 0.580 301 Y N 7.643 127.986 120.300 0.071 0.000 2.393 301 Y HA 0.451 4.984 4.550 -0.028 0.000 0.338 301 Y C -0.326 175.597 175.900 0.039 0.000 1.029 301 Y CA -0.542 57.589 58.100 0.051 0.000 1.239 301 Y CB 0.571 39.052 38.460 0.035 0.000 1.170 301 Y HN 0.263 nan 8.280 nan 0.000 0.515 302 V N 3.746 123.301 119.914 -0.599 0.000 3.007 302 V HA 0.529 4.633 4.120 -0.026 0.000 0.311 302 V C -0.588 175.153 176.094 -0.587 0.000 1.120 302 V CA -1.001 61.024 62.300 -0.458 0.000 0.980 302 V CB 1.714 33.432 31.823 -0.175 0.000 1.033 302 V HN 0.794 nan 8.190 nan 0.000 0.429 303 D N 0.725 120.920 120.400 -0.342 0.000 2.403 303 D HA 0.146 4.770 4.640 -0.026 0.000 0.278 303 D C 0.510 176.698 176.300 -0.187 0.000 1.230 303 D CA 0.092 53.965 54.000 -0.212 0.000 1.062 303 D CB 0.274 41.048 40.800 -0.043 0.000 1.119 303 D HN 0.572 nan 8.370 nan 0.000 0.557 304 D N -1.658 118.628 120.400 -0.190 0.000 2.317 304 D HA -0.091 4.534 4.640 -0.026 0.000 0.211 304 D C 0.980 177.055 176.300 -0.375 0.000 0.966 304 D CA 0.916 54.725 54.000 -0.318 0.000 0.876 304 D CB -0.243 40.325 40.800 -0.387 0.000 0.927 304 D HN 0.493 nan 8.370 nan 0.000 0.519 305 H N -0.911 118.181 119.070 0.037 0.000 2.517 305 H HA 0.239 4.779 4.556 -0.026 0.000 0.282 305 H C 0.696 176.067 175.328 0.072 0.000 1.023 305 H CA -0.308 55.773 56.048 0.055 0.000 1.169 305 H CB -0.036 29.758 29.762 0.053 0.000 1.454 305 H HN 0.004 nan 8.280 nan 0.000 0.556 306 C N 0.919 120.290 119.300 0.119 0.000 4.326 306 C HA -0.192 4.252 4.460 -0.026 0.000 0.284 306 C C 0.754 175.931 174.990 0.312 0.000 1.419 306 C CA 0.228 59.331 59.018 0.142 0.000 1.920 306 C CB -1.844 25.967 27.740 0.119 0.000 1.306 306 C HN 0.471 nan 8.230 nan 0.000 0.786 307 K N 1.510 122.114 120.400 0.341 0.000 2.350 307 K HA 0.363 4.667 4.320 -0.026 0.000 0.279 307 K C 1.003 177.634 176.600 0.051 0.000 1.027 307 K CA 0.894 57.340 56.287 0.264 0.000 0.969 307 K CB 1.053 33.681 32.500 0.213 0.000 0.954 307 K HN 0.720 nan 8.250 nan 0.000 0.474 308 T N -1.380 113.148 114.554 -0.043 0.000 2.852 308 T HA 0.130 4.465 4.350 -0.026 0.000 0.281 308 T C 1.387 176.105 174.700 0.030 0.000 0.993 308 T CA -0.441 61.658 62.100 -0.002 0.000 0.933 308 T CB 0.661 69.525 68.868 -0.007 0.000 1.187 308 T HN 0.412 nan 8.240 nan 0.000 0.559 309 S N -0.344 115.419 115.700 0.105 0.000 2.442 309 S HA 0.027 4.482 4.470 -0.026 0.000 0.236 309 S C 1.094 175.706 174.600 0.021 0.000 1.007 309 S CA 0.414 58.674 58.200 0.101 0.000 0.965 309 S CB -1.032 62.238 63.200 0.116 0.000 0.773 309 S HN 1.062 nan 8.310 nan 0.000 0.504 310 V N -0.029 119.869 119.914 -0.027 0.000 2.459 310 V HA 0.583 4.687 4.120 -0.026 0.000 0.295 310 V C -3.049 172.972 176.094 -0.122 0.000 1.029 310 V CA -3.078 59.188 62.300 -0.056 0.000 0.874 310 V CB 1.745 33.537 31.823 -0.052 0.000 0.985 310 V HN -0.103 nan 8.190 nan 0.000 0.438 311 P HA 0.307 nan 4.420 nan 0.000 0.267 311 P C 0.864 178.049 177.300 -0.193 0.000 1.205 311 P CA 1.520 64.539 63.100 -0.136 0.000 0.765 311 P CB 1.056 32.719 31.700 -0.061 0.000 0.828 312 G N 1.481 110.077 108.800 -0.341 0.000 2.195 312 G HA2 -0.167 3.777 3.960 -0.026 0.000 0.224 312 G HA3 -0.167 3.777 3.960 -0.026 0.000 0.224 312 G C -0.240 174.341 174.900 -0.532 0.000 0.990 312 G CA -0.206 44.709 45.100 -0.309 0.000 0.639 312 G HN 0.557 nan 8.290 nan 0.000 0.514 313 V N 1.266 120.773 119.914 -0.677 0.000 2.487 313 V HA 0.816 4.921 4.120 -0.026 0.000 0.298 313 V C -0.615 175.055 176.094 -0.706 0.000 1.028 313 V CA -0.731 61.258 62.300 -0.518 0.000 0.860 313 V CB 1.399 33.098 31.823 -0.207 0.000 0.991 313 V HN 0.249 nan 8.190 nan 0.000 0.427 314 F N 2.526 122.487 119.950 0.018 0.000 2.563 314 F HA 0.868 5.380 4.527 -0.024 0.000 0.316 314 F C 0.302 176.110 175.800 0.013 0.000 1.076 314 F CA -0.803 57.206 58.000 0.015 0.000 0.921 314 F CB 2.091 41.099 39.000 0.014 0.000 1.209 314 F HN 0.525 nan 8.300 nan 0.000 0.462 315 A N 3.604 126.543 122.820 0.198 0.000 2.355 315 A HA 0.928 5.233 4.320 -0.026 0.000 0.317 315 A C -0.925 176.716 177.584 0.095 0.000 1.094 315 A CA -0.656 51.451 52.037 0.117 0.000 0.764 315 A CB 1.181 20.229 19.000 0.080 0.000 1.230 315 A HN 0.830 nan 8.150 nan 0.000 0.448 316 I N -0.879 119.733 120.570 0.068 0.000 2.994 316 I HA 0.904 5.058 4.170 -0.026 0.000 0.306 316 I C 0.347 176.480 176.117 0.028 0.000 1.195 316 I CA -0.148 61.177 61.300 0.042 0.000 1.001 316 I CB 1.964 39.975 38.000 0.018 0.000 1.244 316 I HN 1.777 nan 8.210 nan 0.000 0.437 317 G N 3.877 112.684 108.800 0.012 0.000 2.488 317 G HA2 -0.237 3.707 3.960 -0.026 0.000 0.237 317 G HA3 -0.237 3.707 3.960 -0.026 0.000 0.237 317 G C -0.087 174.829 174.900 0.027 0.000 1.209 317 G CA 0.550 45.649 45.100 -0.002 0.000 0.929 317 G HN 0.783 nan 8.290 nan 0.000 0.578 318 D N 0.634 121.059 120.400 0.042 0.000 2.347 318 D HA 0.083 4.707 4.640 -0.026 0.000 0.215 318 D C 2.603 179.032 176.300 0.216 0.000 0.976 318 D CA 1.437 55.496 54.000 0.099 0.000 0.884 318 D CB -0.116 40.726 40.800 0.070 0.000 0.915 318 D HN 0.828 nan 8.370 nan 0.000 0.526 319 V N -1.423 118.594 119.914 0.171 0.000 3.217 319 V HA 0.016 4.120 4.120 -0.026 0.000 0.264 319 V C 1.110 177.440 176.094 0.394 0.000 1.135 319 V CA 0.197 62.631 62.300 0.225 0.000 1.142 319 V CB -1.188 30.699 31.823 0.106 0.000 0.754 319 V HN 0.021 nan 8.190 nan 0.000 0.484 320 V N -0.936 119.118 119.914 0.235 0.000 3.096 320 V HA 0.734 4.838 4.120 -0.026 0.000 0.319 320 V C 0.335 176.336 176.094 -0.155 0.000 1.103 320 V CA -1.684 60.677 62.300 0.102 0.000 1.016 320 V CB 1.455 33.288 31.823 0.017 0.000 1.090 320 V HN 0.572 nan 8.190 nan 0.000 0.449 321 R N 1.449 121.767 120.500 -0.302 0.000 2.638 321 R HA 0.610 4.934 4.340 -0.026 0.000 0.268 321 R C 0.439 176.565 176.300 -0.291 0.000 1.006 321 R CA 0.872 56.719 56.100 -0.422 0.000 1.088 321 R CB -0.852 29.247 30.300 -0.336 0.000 0.950 321 R HN 2.095 nan 8.270 nan 0.000 0.419 322 G N -0.267 108.366 108.800 -0.278 0.000 2.357 322 G HA2 0.383 4.328 3.960 -0.026 0.000 0.289 322 G HA3 0.383 4.328 3.960 -0.026 0.000 0.289 322 G C -1.503 173.326 174.900 -0.118 0.000 1.302 322 G CA -0.632 44.376 45.100 -0.154 0.000 0.936 322 G HN 0.816 nan 8.290 nan 0.000 0.513 323 A N -0.056 122.725 122.820 -0.065 0.000 2.363 323 A HA 0.671 4.975 4.320 -0.026 0.000 0.270 323 A C 0.815 178.345 177.584 -0.090 0.000 1.121 323 A CA -0.171 51.820 52.037 -0.076 0.000 0.800 323 A CB 0.226 19.181 19.000 -0.075 0.000 1.052 323 A HN 0.716 nan 8.150 nan 0.000 0.493 324 M N 3.402 122.959 119.600 -0.071 0.000 3.254 324 M HA 0.216 4.680 4.480 -0.026 0.000 0.257 324 M C -1.313 174.931 176.300 -0.093 0.000 1.490 324 M CA 0.716 55.982 55.300 -0.056 0.000 1.620 324 M CB -1.146 31.450 32.600 -0.007 0.000 1.157 324 M HN 0.487 nan 8.290 nan 0.000 0.541 325 L N -0.380 120.743 121.223 -0.166 0.000 2.409 325 L HA 0.562 4.886 4.340 -0.026 0.000 0.262 325 L C 1.061 177.738 176.870 -0.321 0.000 0.992 325 L CA -0.511 54.173 54.840 -0.260 0.000 0.817 325 L CB 1.670 43.464 42.059 -0.442 0.000 1.350 325 L HN 0.489 nan 8.230 nan 0.000 0.411 326 A N 1.112 123.790 122.820 -0.236 0.000 1.884 326 A HA -0.239 4.066 4.320 -0.026 0.000 0.219 326 A C 1.930 179.398 177.584 -0.194 0.000 1.197 326 A CA 2.281 54.225 52.037 -0.154 0.000 0.637 326 A CB -0.992 17.986 19.000 -0.037 0.000 0.827 326 A HN 0.962 nan 8.150 nan 0.000 0.450 327 H N -1.348 117.674 119.070 -0.079 0.000 2.524 327 H HA 0.046 4.587 4.556 -0.025 0.000 0.282 327 H C 1.718 176.981 175.328 -0.108 0.000 1.016 327 H CA 1.233 57.224 56.048 -0.096 0.000 1.270 327 H CB -0.323 29.386 29.762 -0.089 0.000 1.394 327 H HN 0.531 nan 8.280 nan 0.000 0.568 328 K N 1.699 121.864 120.400 -0.391 0.000 2.062 328 K HA -0.025 4.280 4.320 -0.026 0.000 0.205 328 K C 2.253 178.766 176.600 -0.145 0.000 1.051 328 K CA 1.028 57.183 56.287 -0.220 0.000 0.941 328 K CB -0.114 32.268 32.500 -0.198 0.000 0.719 328 K HN 0.269 nan 8.250 nan 0.000 0.440 329 A N 1.301 124.034 122.820 -0.145 0.000 1.845 329 A HA -0.150 4.154 4.320 -0.026 0.000 0.215 329 A C 2.215 179.725 177.584 -0.123 0.000 1.195 329 A CA 2.371 54.344 52.037 -0.107 0.000 0.616 329 A CB -0.861 18.076 19.000 -0.105 0.000 0.832 329 A HN 0.521 nan 8.150 nan 0.000 0.443 330 S N -0.004 115.607 115.700 -0.148 0.000 2.399 330 S HA -0.152 4.303 4.470 -0.026 0.000 0.231 330 S C 1.670 176.192 174.600 -0.130 0.000 1.022 330 S CA 1.312 59.413 58.200 -0.166 0.000 0.983 330 S CB -0.319 62.776 63.200 -0.176 0.000 0.803 330 S HN 0.548 nan 8.310 nan 0.000 0.480 331 E N 1.410 121.539 120.200 -0.120 0.000 2.112 331 E HA -0.022 4.312 4.350 -0.026 0.000 0.190 331 E C 2.062 178.585 176.600 -0.128 0.000 0.979 331 E CA 0.667 56.992 56.400 -0.125 0.000 0.814 331 E CB -0.254 29.357 29.700 -0.148 0.000 0.762 331 E HN 0.680 nan 8.360 nan 0.000 0.460 332 E N 0.055 120.184 120.200 -0.118 0.000 2.118 332 E HA -0.150 4.185 4.350 -0.026 0.000 0.195 332 E C 2.058 178.609 176.600 -0.081 0.000 0.992 332 E CA 0.925 57.278 56.400 -0.078 0.000 0.804 332 E CB -0.243 29.441 29.700 -0.027 0.000 0.741 332 E HN 0.275 nan 8.360 nan 0.000 0.458 333 G N 0.885 109.632 108.800 -0.088 0.000 2.491 333 G HA2 -0.299 3.645 3.960 -0.026 0.000 0.218 333 G HA3 -0.299 3.645 3.960 -0.026 0.000 0.218 333 G C 1.711 176.554 174.900 -0.094 0.000 1.180 333 G CA 1.195 46.241 45.100 -0.089 0.000 0.774 333 G HN 0.168 nan 8.290 nan 0.000 0.562 334 V N 0.980 120.838 119.914 -0.093 0.000 2.358 334 V HA -0.163 3.942 4.120 -0.026 0.000 0.246 334 V C 2.663 178.706 176.094 -0.085 0.000 1.047 334 V CA 2.080 64.332 62.300 -0.079 0.000 1.035 334 V CB -0.416 31.365 31.823 -0.070 0.000 0.658 334 V HN 0.513 nan 8.190 nan 0.000 0.452 335 M N -0.068 119.477 119.600 -0.092 0.000 2.080 335 M HA -0.166 4.299 4.480 -0.026 0.000 0.260 335 M C 2.076 178.296 176.300 -0.134 0.000 1.068 335 M CA 2.082 57.332 55.300 -0.083 0.000 1.109 335 M CB -0.136 32.426 32.600 -0.065 0.000 1.342 335 M HN 0.204 nan 8.290 nan 0.000 0.405 336 V N 0.796 120.598 119.914 -0.187 0.000 2.379 336 V HA -0.182 3.922 4.120 -0.026 0.000 0.245 336 V C 2.717 178.604 176.094 -0.346 0.000 1.044 336 V CA 1.753 63.832 62.300 -0.368 0.000 1.036 336 V CB -1.365 30.239 31.823 -0.365 0.000 0.664 336 V HN 0.659 nan 8.190 nan 0.000 0.453 337 A N -0.299 122.400 122.820 -0.201 0.000 1.933 337 A HA -0.240 4.065 4.320 -0.026 0.000 0.218 337 A C 2.155 179.644 177.584 -0.159 0.000 1.175 337 A CA 2.013 53.960 52.037 -0.150 0.000 0.628 337 A CB -0.457 18.493 19.000 -0.084 0.000 0.814 337 A HN 0.520 nan 8.150 nan 0.000 0.444 338 E N -0.085 120.031 120.200 -0.140 0.000 2.051 338 E HA -0.129 4.205 4.350 -0.026 0.000 0.192 338 E C 2.273 178.726 176.600 -0.246 0.000 0.991 338 E CA 1.332 57.649 56.400 -0.137 0.000 0.799 338 E CB -0.187 29.502 29.700 -0.018 0.000 0.748 338 E HN 0.556 nan 8.360 nan 0.000 0.449 339 R N -0.129 120.249 120.500 -0.205 0.000 2.081 339 R HA -0.094 4.230 4.340 -0.026 0.000 0.235 339 R C 2.496 178.676 176.300 -0.200 0.000 1.131 339 R CA 1.439 57.417 56.100 -0.203 0.000 0.960 339 R CB -0.455 29.720 30.300 -0.208 0.000 0.856 339 R HN 0.278 nan 8.270 nan 0.000 0.436 340 I N 0.556 120.995 120.570 -0.218 0.000 2.163 340 I HA -0.271 3.884 4.170 -0.026 0.000 0.243 340 I C 2.308 178.352 176.117 -0.121 0.000 1.085 340 I CA 1.383 62.616 61.300 -0.111 0.000 1.347 340 I CB -0.351 37.592 38.000 -0.095 0.000 1.044 340 I HN 0.194 nan 8.210 nan 0.000 0.408 341 A N 0.081 122.778 122.820 -0.205 0.000 2.239 341 A HA 0.194 4.499 4.320 -0.026 0.000 0.209 341 A C 1.738 179.123 177.584 -0.331 0.000 1.171 341 A CA 1.032 52.924 52.037 -0.243 0.000 0.768 341 A CB -0.618 18.213 19.000 -0.281 0.000 0.790 341 A HN 0.659 nan 8.150 nan 0.000 0.478 342 G N -1.707 106.902 108.800 -0.318 0.000 2.154 342 G HA2 -0.159 3.785 3.960 -0.026 0.000 0.186 342 G HA3 -0.159 3.785 3.960 -0.026 0.000 0.186 342 G C -0.169 174.654 174.900 -0.128 0.000 1.000 342 G CA 0.076 45.065 45.100 -0.186 0.000 0.664 342 G HN 0.794 nan 8.290 nan 0.000 0.513 343 H N -0.297 118.754 119.070 -0.033 0.000 2.492 343 H HA 0.622 5.163 4.556 -0.025 0.000 0.345 343 H C -0.223 175.082 175.328 -0.039 0.000 1.136 343 H CA -0.985 55.045 56.048 -0.031 0.000 1.202 343 H CB 1.410 31.154 29.762 -0.030 0.000 1.524 343 H HN -0.055 nan 8.280 nan 0.000 0.506 344 K N 2.026 122.472 120.400 0.077 0.000 2.518 344 K HA 0.281 4.586 4.320 -0.026 0.000 0.244 344 K C -0.417 176.203 176.600 0.034 0.000 1.232 344 K CA -0.337 55.959 56.287 0.015 0.000 1.189 344 K CB 0.020 32.520 32.500 -0.001 0.000 1.737 344 K HN 0.616 nan 8.250 nan 0.000 0.333 345 A N 1.924 124.767 122.820 0.039 0.000 2.462 345 A HA 0.247 4.551 4.320 -0.026 0.000 0.243 345 A C -0.154 177.469 177.584 0.066 0.000 1.076 345 A CA -0.147 51.911 52.037 0.036 0.000 0.773 345 A CB 0.312 19.322 19.000 0.017 0.000 1.010 345 A HN 0.406 nan 8.150 nan 0.000 0.493 346 Q N 0.349 120.175 119.800 0.043 0.000 2.413 346 Q HA 0.611 4.936 4.340 -0.026 0.000 0.276 346 Q C -1.033 174.946 176.000 -0.035 0.000 1.099 346 Q CA -0.683 55.154 55.803 0.056 0.000 0.814 346 Q CB 2.090 30.863 28.738 0.057 0.000 1.379 346 Q HN 0.804 nan 8.270 nan 0.000 0.436 347 M N 2.005 121.556 119.600 -0.081 0.000 2.253 347 M HA 0.375 4.840 4.480 -0.026 0.000 0.314 347 M C -1.239 174.896 176.300 -0.275 0.000 1.019 347 M CA -0.355 54.796 55.300 -0.248 0.000 0.932 347 M CB 1.289 33.672 32.600 -0.362 0.000 1.606 347 M HN 0.377 nan 8.290 nan 0.000 0.430 348 N N 3.689 122.227 118.700 -0.269 0.000 2.521 348 N HA 0.141 4.866 4.740 -0.026 0.000 0.236 348 N C -0.647 174.749 175.510 -0.190 0.000 1.067 348 N CA 0.181 53.134 53.050 -0.162 0.000 0.939 348 N CB -0.034 38.382 38.487 -0.119 0.000 1.201 348 N HN 0.764 nan 8.380 nan 0.000 0.511 349 Y N 0.692 120.954 120.300 -0.064 0.000 2.571 349 Y HA 0.004 4.538 4.550 -0.026 0.000 0.294 349 Y C 1.329 177.201 175.900 -0.047 0.000 1.141 349 Y CA 0.536 58.599 58.100 -0.063 0.000 1.308 349 Y CB 0.393 38.808 38.460 -0.075 0.000 1.002 349 Y HN 0.496 nan 8.280 nan 0.000 0.551 350 D N -0.268 120.175 120.400 0.071 0.000 2.323 350 D HA -0.001 4.623 4.640 -0.026 0.000 0.209 350 D C 0.979 177.288 176.300 0.015 0.000 0.973 350 D CA 0.823 54.851 54.000 0.046 0.000 0.874 350 D CB 0.236 41.057 40.800 0.035 0.000 0.930 350 D HN 0.369 nan 8.370 nan 0.000 0.521 351 L N 1.200 122.411 121.223 -0.019 0.000 2.984 351 L HA 0.285 4.610 4.340 -0.026 0.000 0.246 351 L C 0.069 176.909 176.870 -0.050 0.000 1.268 351 L CA -0.360 54.457 54.840 -0.039 0.000 1.054 351 L CB 0.279 42.302 42.059 -0.060 0.000 1.393 351 L HN -0.236 nan 8.230 nan 0.000 0.532 352 I N 1.614 122.165 120.570 -0.033 0.000 2.416 352 I HA 0.173 4.328 4.170 -0.026 0.000 0.288 352 I C -1.791 174.292 176.117 -0.056 0.000 1.051 352 I CA -1.383 59.908 61.300 -0.014 0.000 1.375 352 I CB 0.746 38.746 38.000 0.000 0.000 1.407 352 I HN -0.046 nan 8.210 nan 0.000 0.516 353 P HA 0.238 nan 4.420 nan 0.000 0.272 353 P C -1.217 175.911 177.300 -0.286 0.000 1.240 353 P CA -0.449 62.525 63.100 -0.209 0.000 0.791 353 P CB 0.694 32.247 31.700 -0.246 0.000 0.978 354 S N -0.266 115.072 115.700 -0.604 0.000 2.538 354 S HA 0.610 5.065 4.470 -0.026 0.000 0.288 354 S C -0.764 173.415 174.600 -0.701 0.000 1.108 354 S CA -0.585 57.163 58.200 -0.753 0.000 0.971 354 S CB 1.351 63.682 63.200 -1.449 0.000 1.041 354 S HN 0.147 nan 8.310 nan 0.000 0.483 355 V N 3.154 122.789 119.914 -0.466 0.000 2.876 355 V HA 0.585 4.690 4.120 -0.026 0.000 0.312 355 V C -0.965 174.883 176.094 -0.411 0.000 1.085 355 V CA -0.673 61.343 62.300 -0.473 0.000 0.945 355 V CB 1.951 33.429 31.823 -0.575 0.000 1.017 355 V HN 0.848 nan 8.190 nan 0.000 0.428 356 I N 3.302 123.670 120.570 -0.337 0.000 2.439 356 I HA 0.338 4.493 4.170 -0.026 0.000 0.285 356 I C -0.928 175.068 176.117 -0.202 0.000 1.021 356 I CA -0.470 60.751 61.300 -0.132 0.000 1.091 356 I CB 1.715 39.728 38.000 0.023 0.000 1.242 356 I HN 0.621 nan 8.210 nan 0.000 0.439 357 Y N 4.248 124.536 120.300 -0.019 0.000 2.871 357 Y HA 0.062 4.597 4.550 -0.026 0.000 0.378 357 Y C 1.500 177.385 175.900 -0.024 0.000 1.069 357 Y CA -0.514 57.568 58.100 -0.029 0.000 1.662 357 Y CB -0.824 37.614 38.460 -0.037 0.000 1.561 357 Y HN 0.484 nan 8.280 nan 0.000 0.483 358 T N -3.026 111.561 114.554 0.054 0.000 2.754 358 T HA 0.135 4.469 4.350 -0.026 0.000 0.286 358 T C -0.558 174.147 174.700 0.009 0.000 0.997 358 T CA -0.580 61.547 62.100 0.045 0.000 0.982 358 T CB 1.056 69.953 68.868 0.049 0.000 1.027 358 T HN 0.407 nan 8.240 nan 0.000 0.529 359 H N 1.835 120.850 119.070 -0.092 0.000 2.762 359 H HA 0.417 4.957 4.556 -0.026 0.000 0.310 359 H C -2.464 172.817 175.328 -0.078 0.000 1.004 359 H CA -1.853 54.087 56.048 -0.179 0.000 1.267 359 H CB 0.918 30.431 29.762 -0.415 0.000 1.437 359 H HN 0.429 nan 8.280 nan 0.000 0.498 360 P HA 0.047 nan 4.420 nan 0.000 0.274 360 P C -0.382 176.762 177.300 -0.260 0.000 1.231 360 P CA -0.381 62.438 63.100 -0.467 0.000 0.790 360 P CB 1.435 32.973 31.700 -0.270 0.000 0.951 361 E N 1.815 121.849 120.200 -0.276 0.000 2.259 361 E HA 0.295 4.630 4.350 -0.026 0.000 0.281 361 E C -0.610 175.936 176.600 -0.090 0.000 1.027 361 E CA -0.698 55.600 56.400 -0.169 0.000 0.838 361 E CB 0.293 29.877 29.700 -0.194 0.000 1.066 361 E HN 0.251 nan 8.360 nan 0.000 0.401 362 I N 3.314 123.871 120.570 -0.022 0.000 2.499 362 I HA 0.509 4.663 4.170 -0.026 0.000 0.296 362 I C -0.038 176.131 176.117 0.087 0.000 0.992 362 I CA 0.054 61.418 61.300 0.107 0.000 1.297 362 I CB 1.746 39.874 38.000 0.213 0.000 1.410 362 I HN 0.627 nan 8.210 nan 0.000 0.507 363 A N 4.699 127.654 122.820 0.224 0.000 2.605 363 A HA 0.847 5.152 4.320 -0.026 0.000 0.294 363 A C -2.057 175.747 177.584 0.368 0.000 1.062 363 A CA -0.602 51.499 52.037 0.106 0.000 0.682 363 A CB 0.951 19.924 19.000 -0.046 0.000 1.278 363 A HN 0.870 nan 8.150 nan 0.000 0.410 364 W N -0.562 120.677 121.300 -0.102 0.000 3.057 364 W HA 0.713 5.358 4.660 -0.025 0.000 0.328 364 W C -1.938 174.466 176.519 -0.191 0.000 1.232 364 W CA -0.891 56.343 57.345 -0.184 0.000 1.187 364 W CB 0.940 30.294 29.460 -0.176 0.000 1.417 364 W HN 1.240 nan 8.180 nan 0.000 0.569 365 V N 2.133 122.039 119.914 -0.013 0.000 3.048 365 V HA 0.856 4.961 4.120 -0.026 0.000 0.303 365 V C 0.176 176.250 176.094 -0.033 0.000 1.214 365 V CA 0.371 62.647 62.300 -0.040 0.000 0.984 365 V CB 1.285 33.069 31.823 -0.066 0.000 1.054 365 V HN 2.377 nan 8.190 nan 0.000 0.430 366 G N 4.595 113.413 108.800 0.031 0.000 2.725 366 G HA2 -0.119 3.825 3.960 -0.026 0.000 0.220 366 G HA3 -0.119 3.825 3.960 -0.026 0.000 0.220 366 G C -0.637 174.340 174.900 0.128 0.000 1.357 366 G CA -0.002 45.131 45.100 0.056 0.000 0.866 366 G HN 0.989 nan 8.290 nan 0.000 0.548 367 K N -0.308 120.176 120.400 0.141 0.000 2.126 367 K HA 0.542 4.846 4.320 -0.026 0.000 0.257 367 K C 0.448 177.195 176.600 0.245 0.000 1.007 367 K CA -0.177 56.206 56.287 0.160 0.000 0.928 367 K CB 1.279 33.837 32.500 0.096 0.000 1.013 367 K HN 0.537 nan 8.250 nan 0.000 0.473 368 T N 0.471 115.115 114.554 0.151 0.000 2.874 368 T HA 0.004 4.338 4.350 -0.026 0.000 0.281 368 T C 1.310 175.978 174.700 -0.054 0.000 0.994 368 T CA -0.333 61.777 62.100 0.018 0.000 1.015 368 T CB 1.176 70.029 68.868 -0.025 0.000 1.028 368 T HN 0.672 nan 8.240 nan 0.000 0.523 369 E N 0.693 120.797 120.200 -0.159 0.000 2.058 369 E HA -0.200 4.134 4.350 -0.026 0.000 0.194 369 E C 2.100 178.663 176.600 -0.062 0.000 0.997 369 E CA 1.355 57.693 56.400 -0.103 0.000 0.801 369 E CB 0.023 29.642 29.700 -0.135 0.000 0.746 369 E HN 0.655 nan 8.360 nan 0.000 0.450 370 Q N -0.021 119.736 119.800 -0.072 0.000 2.170 370 Q HA -0.127 4.198 4.340 -0.026 0.000 0.203 370 Q C 2.032 178.016 176.000 -0.026 0.000 0.976 370 Q CA 1.738 57.513 55.803 -0.047 0.000 0.858 370 Q CB -0.840 27.867 28.738 -0.052 0.000 0.907 370 Q HN 0.186 nan 8.270 nan 0.000 0.433 371 T N 2.445 116.988 114.554 -0.018 0.000 2.674 371 T HA -0.019 4.316 4.350 -0.026 0.000 0.265 371 T C 2.118 176.820 174.700 0.003 0.000 1.039 371 T CA 1.361 63.461 62.100 0.001 0.000 1.150 371 T CB -0.281 68.599 68.868 0.020 0.000 0.864 371 T HN 0.186 nan 8.240 nan 0.000 0.427 372 L N 0.557 121.783 121.223 0.004 0.000 2.079 372 L HA -0.120 4.205 4.340 -0.026 0.000 0.210 372 L C 2.754 179.623 176.870 -0.001 0.000 1.081 372 L CA 1.093 55.937 54.840 0.006 0.000 0.752 372 L CB -0.468 41.597 42.059 0.010 0.000 0.896 372 L HN 0.111 nan 8.230 nan 0.000 0.433 373 K N 0.209 120.603 120.400 -0.010 0.000 2.057 373 K HA -0.072 4.232 4.320 -0.026 0.000 0.206 373 K C 2.155 178.751 176.600 -0.007 0.000 1.050 373 K CA 1.487 57.768 56.287 -0.010 0.000 0.935 373 K CB -0.467 32.023 32.500 -0.017 0.000 0.715 373 K HN 0.279 nan 8.250 nan 0.000 0.439 374 A N 1.511 124.328 122.820 -0.006 0.000 2.014 374 A HA -0.118 4.187 4.320 -0.026 0.000 0.218 374 A C 1.685 179.269 177.584 0.000 0.000 1.163 374 A CA 1.051 53.086 52.037 -0.003 0.000 0.652 374 A CB -0.230 18.768 19.000 -0.004 0.000 0.808 374 A HN 0.353 nan 8.150 nan 0.000 0.449 375 E N -0.953 119.248 120.200 0.002 0.000 2.502 375 E HA 0.218 4.553 4.350 -0.026 0.000 0.194 375 E C 0.876 177.478 176.600 0.005 0.000 1.062 375 E CA 0.195 56.598 56.400 0.005 0.000 0.867 375 E CB -0.175 29.530 29.700 0.009 0.000 0.888 375 E HN 0.697 nan 8.360 nan 0.000 0.510 376 G N 1.502 110.304 108.800 0.003 0.000 2.256 376 G HA2 -0.254 3.691 3.960 -0.026 0.000 0.272 376 G HA3 -0.254 3.691 3.960 -0.026 0.000 0.272 376 G C 0.020 174.922 174.900 0.004 0.000 1.076 376 G CA 0.121 45.223 45.100 0.002 0.000 0.882 376 G HN 0.136 nan 8.290 nan 0.000 0.497 377 V N 0.546 120.462 119.914 0.004 0.000 2.435 377 V HA 0.568 4.672 4.120 -0.026 0.000 0.290 377 V C 0.453 176.550 176.094 0.004 0.000 1.030 377 V CA -0.535 61.769 62.300 0.007 0.000 0.881 377 V CB 1.746 33.575 31.823 0.010 0.000 0.983 377 V HN 0.583 nan 8.190 nan 0.000 0.445 378 E N 4.318 124.521 120.200 0.005 0.000 2.156 378 E HA 0.651 4.986 4.350 -0.026 0.000 0.279 378 E C -0.840 175.763 176.600 0.005 0.000 0.965 378 E CA -0.690 55.712 56.400 0.002 0.000 0.789 378 E CB 1.976 31.677 29.700 0.002 0.000 1.098 378 E HN 0.496 nan 8.360 nan 0.000 0.397 379 V N 0.437 120.351 119.914 0.002 0.000 2.823 379 V HA 0.511 4.616 4.120 -0.026 0.000 0.312 379 V C -0.676 175.418 176.094 -0.001 0.000 1.072 379 V CA -1.188 61.114 62.300 0.003 0.000 0.937 379 V CB 1.839 33.664 31.823 0.004 0.000 1.013 379 V HN 0.601 nan 8.190 nan 0.000 0.430 380 N N 2.074 120.774 118.700 0.000 0.000 2.456 380 N HA 0.651 5.375 4.740 -0.026 0.000 0.288 380 N C -0.485 175.020 175.510 -0.008 0.000 1.059 380 N CA -0.182 52.865 53.050 -0.005 0.000 0.946 380 N CB 2.073 40.557 38.487 -0.005 0.000 1.150 380 N HN 1.046 nan 8.380 nan 0.000 0.479 381 V N -1.166 118.739 119.914 -0.015 0.000 2.680 381 V HA 0.974 5.079 4.120 -0.026 0.000 0.309 381 V C 0.231 176.312 176.094 -0.022 0.000 1.052 381 V CA -0.727 61.563 62.300 -0.016 0.000 0.908 381 V CB 1.426 33.234 31.823 -0.024 0.000 1.001 381 V HN 0.578 nan 8.190 nan 0.000 0.431 382 G N 1.784 110.572 108.800 -0.020 0.000 2.482 382 G HA2 0.701 4.645 3.960 -0.026 0.000 0.317 382 G HA3 0.701 4.645 3.960 -0.026 0.000 0.317 382 G C -0.788 174.106 174.900 -0.009 0.000 1.241 382 G CA -0.621 44.464 45.100 -0.026 0.000 0.967 382 G HN 0.949 nan 8.290 nan 0.000 0.482 383 T N 0.086 114.641 114.554 0.001 0.000 2.896 383 T HA 0.662 4.997 4.350 -0.026 0.000 0.297 383 T C -1.917 172.819 174.700 0.060 0.000 1.108 383 T CA -0.275 61.828 62.100 0.006 0.000 1.004 383 T CB 1.608 70.460 68.868 -0.026 0.000 1.159 383 T HN 0.503 nan 8.240 nan 0.000 0.499 384 F N 4.383 124.239 119.950 -0.156 0.000 2.651 384 F HA 0.501 5.013 4.527 -0.026 0.000 0.329 384 F C -2.724 172.912 175.800 -0.273 0.000 1.186 384 F CA -1.765 56.117 58.000 -0.198 0.000 1.046 384 F CB 1.898 40.758 39.000 -0.233 0.000 1.296 384 F HN 0.243 nan 8.300 nan 0.000 0.497 385 P HA 0.194 nan 4.420 nan 0.000 0.277 385 P C 0.219 177.144 177.300 -0.625 0.000 1.240 385 P CA -0.104 62.640 63.100 -0.593 0.000 0.798 385 P CB 1.062 32.511 31.700 -0.419 0.000 0.979 386 F N 0.847 120.732 119.950 -0.110 0.000 2.802 386 F HA 0.038 4.550 4.527 -0.026 0.000 0.300 386 F C 2.389 178.165 175.800 -0.040 0.000 1.168 386 F CA 0.864 58.857 58.000 -0.011 0.000 1.433 386 F CB -0.746 38.268 39.000 0.024 0.000 1.115 386 F HN 0.341 nan 8.300 nan 0.000 0.582 387 A N -0.208 122.603 122.820 -0.016 0.000 2.014 387 A HA 0.174 4.478 4.320 -0.026 0.000 0.218 387 A C 2.136 179.690 177.584 -0.050 0.000 1.163 387 A CA 1.135 53.163 52.037 -0.016 0.000 0.652 387 A CB -0.725 18.246 19.000 -0.048 0.000 0.808 387 A HN 0.187 nan 8.150 nan 0.000 0.449 388 A N -0.464 122.247 122.820 -0.182 0.000 2.370 388 A HA 0.432 4.737 4.320 -0.026 0.000 0.238 388 A C 0.942 178.615 177.584 0.149 0.000 1.289 388 A CA 0.465 52.468 52.037 -0.057 0.000 0.885 388 A CB -0.508 18.391 19.000 -0.168 0.000 0.961 388 A HN 0.321 nan 8.150 nan 0.000 0.499 389 S N -0.576 115.225 115.700 0.168 0.000 2.452 389 S HA 0.454 4.909 4.470 -0.026 0.000 0.284 389 S C 1.490 176.175 174.600 0.142 0.000 1.171 389 S CA 0.023 58.364 58.200 0.235 0.000 1.064 389 S CB 1.029 64.434 63.200 0.342 0.000 0.967 389 S HN 0.492 nan 8.310 nan 0.000 0.484 390 G N 4.499 113.354 108.800 0.091 0.000 2.422 390 G HA2 -0.194 3.751 3.960 -0.026 0.000 0.218 390 G HA3 -0.194 3.751 3.960 -0.026 0.000 0.218 390 G C 1.431 176.351 174.900 0.033 0.000 1.146 390 G CA 0.711 45.845 45.100 0.056 0.000 0.769 390 G HN 0.687 nan 8.290 nan 0.000 0.547 391 R N 0.756 121.268 120.500 0.020 0.000 2.073 391 R HA 0.191 4.515 4.340 -0.026 0.000 0.229 391 R C 2.800 179.144 176.300 0.074 0.000 1.120 391 R CA 1.615 57.727 56.100 0.021 0.000 0.967 391 R CB -0.625 29.688 30.300 0.020 0.000 0.862 391 R HN 0.217 nan 8.270 nan 0.000 0.436 392 A N 0.311 123.212 122.820 0.136 0.000 1.902 392 A HA -0.178 4.126 4.320 -0.026 0.000 0.217 392 A C 2.247 179.894 177.584 0.105 0.000 1.181 392 A CA 1.759 53.880 52.037 0.141 0.000 0.623 392 A CB -0.501 18.643 19.000 0.241 0.000 0.818 392 A HN 0.423 nan 8.150 nan 0.000 0.443 393 M N -0.807 118.850 119.600 0.095 0.000 2.175 393 M HA -0.119 4.346 4.480 -0.026 0.000 0.264 393 M C 2.470 178.802 176.300 0.055 0.000 1.063 393 M CA 1.218 56.559 55.300 0.068 0.000 1.119 393 M CB -0.277 32.358 32.600 0.059 0.000 1.377 393 M HN 0.509 nan 8.290 nan 0.000 0.415 394 A N 0.195 123.047 122.820 0.053 0.000 1.902 394 A HA -0.083 4.222 4.320 -0.026 0.000 0.217 394 A C 2.243 179.876 177.584 0.082 0.000 1.181 394 A CA 1.853 53.921 52.037 0.052 0.000 0.623 394 A CB -0.946 18.078 19.000 0.039 0.000 0.818 394 A HN 0.514 nan 8.150 nan 0.000 0.443 395 A N -0.957 121.915 122.820 0.086 0.000 2.121 395 A HA -0.004 4.301 4.320 -0.026 0.000 0.218 395 A C 1.168 178.841 177.584 0.148 0.000 1.154 395 A CA 1.438 53.542 52.037 0.112 0.000 0.679 395 A CB -0.611 18.441 19.000 0.087 0.000 0.795 395 A HN 0.965 nan 8.150 nan 0.000 0.458 396 N N -1.048 117.720 118.700 0.114 0.000 2.747 396 N HA -0.166 4.559 4.740 -0.026 0.000 0.249 396 N C -0.970 174.617 175.510 0.130 0.000 1.107 396 N CA 1.154 54.265 53.050 0.102 0.000 0.707 396 N CB -1.448 37.106 38.487 0.112 0.000 1.054 396 N HN 0.450 nan 8.380 nan 0.000 0.555 397 D N -0.580 119.888 120.400 0.114 0.000 2.378 397 D HA 0.345 4.970 4.640 -0.026 0.000 0.265 397 D C 0.376 176.713 176.300 0.061 0.000 1.229 397 D CA 0.125 54.190 54.000 0.109 0.000 0.914 397 D CB 0.118 40.988 40.800 0.117 0.000 1.140 397 D HN 0.289 nan 8.370 nan 0.000 0.516 398 T N -1.330 113.275 114.554 0.085 0.000 3.129 398 T HA 0.178 4.513 4.350 -0.026 0.000 0.267 398 T C 0.745 175.529 174.700 0.139 0.000 1.018 398 T CA -0.286 61.892 62.100 0.129 0.000 0.903 398 T CB 0.037 68.971 68.868 0.110 0.000 1.067 398 T HN 0.073 nan 8.240 nan 0.000 0.549 399 T N 2.522 117.124 114.554 0.079 0.000 2.884 399 T HA 0.584 4.919 4.350 -0.026 0.000 0.298 399 T C 0.824 175.597 174.700 0.123 0.000 0.998 399 T CA 0.570 62.715 62.100 0.075 0.000 1.124 399 T CB 0.692 69.581 68.868 0.034 0.000 0.931 399 T HN 0.853 nan 8.240 nan 0.000 0.531 400 G N 1.429 110.332 108.800 0.171 0.000 2.362 400 G HA2 0.304 4.249 3.960 -0.026 0.000 0.517 400 G HA3 0.304 4.249 3.960 -0.026 0.000 0.517 400 G C -1.629 173.452 174.900 0.301 0.000 1.256 400 G CA -0.445 44.796 45.100 0.234 0.000 1.027 400 G HN 1.310 nan 8.290 nan 0.000 0.491 401 L N -4.091 117.309 121.223 0.294 0.000 2.869 401 L HA 0.864 5.189 4.340 -0.026 0.000 0.265 401 L C -0.767 176.155 176.870 0.088 0.000 1.011 401 L CA -1.469 53.396 54.840 0.042 0.000 0.913 401 L CB 1.246 43.292 42.059 -0.021 0.000 1.490 401 L HN 0.943 nan 8.230 nan 0.000 0.410 402 V N 0.956 120.847 119.914 -0.037 0.000 2.850 402 V HA 0.707 4.812 4.120 -0.026 0.000 0.315 402 V C -0.390 175.733 176.094 0.048 0.000 1.064 402 V CA -0.505 61.825 62.300 0.051 0.000 0.979 402 V CB 1.781 33.614 31.823 0.017 0.000 1.039 402 V HN 0.845 nan 8.190 nan 0.000 0.452 403 K N 1.872 122.322 120.400 0.083 0.000 2.565 403 K HA 0.687 4.992 4.320 -0.026 0.000 0.251 403 K C -2.194 174.473 176.600 0.111 0.000 0.956 403 K CA -0.421 55.906 56.287 0.067 0.000 0.809 403 K CB 2.209 34.733 32.500 0.040 0.000 1.267 403 K HN 0.449 nan 8.250 nan 0.000 0.438 404 V N 5.556 125.510 119.914 0.066 0.000 2.555 404 V HA 0.559 4.664 4.120 -0.026 0.000 0.302 404 V C -0.374 175.754 176.094 0.057 0.000 1.038 404 V CA -0.769 61.574 62.300 0.071 0.000 0.887 404 V CB 1.668 33.508 31.823 0.028 0.000 0.991 404 V HN 0.695 nan 8.190 nan 0.000 0.434 405 I N 3.352 123.969 120.570 0.078 0.000 2.465 405 I HA 0.832 4.986 4.170 -0.026 0.000 0.291 405 I C -0.001 176.143 176.117 0.047 0.000 1.014 405 I CA -0.504 60.828 61.300 0.053 0.000 1.093 405 I CB 2.026 40.069 38.000 0.071 0.000 1.267 405 I HN 0.729 nan 8.210 nan 0.000 0.431 406 A N 3.873 126.709 122.820 0.027 0.000 2.475 406 A HA 0.534 4.838 4.320 -0.026 0.000 0.301 406 A C -1.156 176.441 177.584 0.021 0.000 1.059 406 A CA -0.621 51.431 52.037 0.026 0.000 0.710 406 A CB 1.601 20.611 19.000 0.017 0.000 1.288 406 A HN 0.660 nan 8.150 nan 0.000 0.408 407 D N 1.381 121.795 120.400 0.024 0.000 2.455 407 D HA 0.361 4.986 4.640 -0.026 0.000 0.241 407 D C 1.193 177.503 176.300 0.016 0.000 1.138 407 D CA 0.784 54.796 54.000 0.020 0.000 0.877 407 D CB 1.401 42.214 40.800 0.022 0.000 1.187 407 D HN 0.558 nan 8.370 nan 0.000 0.451 408 A N 4.904 127.731 122.820 0.012 0.000 2.016 408 A HA -0.093 4.211 4.320 -0.026 0.000 0.217 408 A C 1.990 179.582 177.584 0.012 0.000 1.162 408 A CA 0.785 52.828 52.037 0.010 0.000 0.662 408 A CB -0.186 18.818 19.000 0.007 0.000 0.812 408 A HN 0.524 nan 8.150 nan 0.000 0.450 409 K N 0.258 120.666 120.400 0.013 0.000 1.995 409 K HA -0.025 4.279 4.320 -0.026 0.000 0.207 409 K C 1.113 177.722 176.600 0.016 0.000 1.041 409 K CA 1.586 57.881 56.287 0.013 0.000 0.942 409 K CB -0.588 31.919 32.500 0.012 0.000 0.731 409 K HN 0.545 nan 8.250 nan 0.000 0.439 410 T N -1.088 113.477 114.554 0.018 0.000 2.847 410 T HA 0.133 4.468 4.350 -0.026 0.000 0.279 410 T C 0.271 174.985 174.700 0.023 0.000 0.984 410 T CA -0.620 61.492 62.100 0.021 0.000 0.988 410 T CB 1.375 70.256 68.868 0.023 0.000 1.040 410 T HN -0.009 nan 8.240 nan 0.000 0.528 411 D N -0.437 119.978 120.400 0.026 0.000 2.722 411 D HA 0.169 4.793 4.640 -0.026 0.000 0.239 411 D C 0.364 176.682 176.300 0.030 0.000 1.249 411 D CA -0.438 53.578 54.000 0.026 0.000 0.830 411 D CB -0.123 40.694 40.800 0.028 0.000 1.025 411 D HN 0.357 nan 8.370 nan 0.000 0.486 412 R N -0.023 120.495 120.500 0.031 0.000 2.489 412 R HA 0.177 4.501 4.340 -0.026 0.000 0.287 412 R C -0.392 175.931 176.300 0.038 0.000 1.053 412 R CA -0.277 55.845 56.100 0.036 0.000 1.036 412 R CB 0.960 31.281 30.300 0.035 0.000 0.966 412 R HN -0.011 nan 8.270 nan 0.000 0.432 413 V N 6.756 126.696 119.914 0.044 0.000 2.470 413 V HA -0.025 4.079 4.120 -0.026 0.000 0.276 413 V C 1.402 177.525 176.094 0.048 0.000 1.040 413 V CA 0.355 62.683 62.300 0.047 0.000 1.008 413 V CB 1.003 32.857 31.823 0.053 0.000 0.990 413 V HN 0.778 nan 8.190 nan 0.000 0.477 414 L N 4.124 125.379 121.223 0.054 0.000 2.298 414 L HA 0.429 4.753 4.340 -0.026 0.000 0.209 414 L C 1.053 177.969 176.870 0.076 0.000 1.084 414 L CA 0.817 55.693 54.840 0.060 0.000 0.816 414 L CB 0.145 42.240 42.059 0.060 0.000 0.967 414 L HN 0.791 nan 8.230 nan 0.000 0.460 415 G N -0.672 108.185 108.800 0.094 0.000 2.702 415 G HA2 0.506 4.451 3.960 -0.026 0.000 0.296 415 G HA3 0.506 4.451 3.960 -0.026 0.000 0.296 415 G C -1.944 172.999 174.900 0.072 0.000 1.463 415 G CA -0.319 44.828 45.100 0.079 0.000 0.890 415 G HN -0.284 nan 8.290 nan 0.000 0.534 416 V N 1.353 121.221 119.914 -0.076 0.000 2.588 416 V HA 0.652 4.757 4.120 -0.026 0.000 0.304 416 V C -0.968 175.027 176.094 -0.166 0.000 1.042 416 V CA -0.831 61.475 62.300 0.010 0.000 0.877 416 V CB 1.898 33.733 31.823 0.021 0.000 0.996 416 V HN 0.861 nan 8.190 nan 0.000 0.425 417 H N 2.178 121.304 119.070 0.093 0.000 2.689 417 H HA 0.779 5.320 4.556 -0.026 0.000 0.346 417 H C -0.736 174.655 175.328 0.104 0.000 1.037 417 H CA -0.548 55.564 56.048 0.108 0.000 1.234 417 H CB 2.084 31.852 29.762 0.010 0.000 1.572 417 H HN 0.592 nan 8.280 nan 0.000 0.524 418 V N 3.978 124.028 119.914 0.227 0.000 2.932 418 V HA 0.608 4.712 4.120 -0.026 0.000 0.307 418 V C -1.444 174.758 176.094 0.179 0.000 1.147 418 V CA -0.810 61.614 62.300 0.207 0.000 0.951 418 V CB 1.915 33.877 31.823 0.232 0.000 1.031 418 V HN 0.823 nan 8.190 nan 0.000 0.426 419 I N 5.781 126.455 120.570 0.173 0.000 2.447 419 I HA 0.976 5.130 4.170 -0.026 0.000 0.287 419 I C -0.034 176.134 176.117 0.086 0.000 1.023 419 I CA 0.754 62.113 61.300 0.098 0.000 1.083 419 I CB 1.272 39.321 38.000 0.081 0.000 1.245 419 I HN 1.433 nan 8.210 nan 0.000 0.434 420 G N 5.952 114.697 108.800 -0.093 0.000 2.369 420 G HA2 0.098 4.042 3.960 -0.026 0.000 0.293 420 G HA3 0.098 4.042 3.960 -0.026 0.000 0.293 420 G C -3.318 171.269 174.900 -0.521 0.000 1.301 420 G CA -0.978 43.919 45.100 -0.338 0.000 0.913 420 G HN 0.395 nan 8.290 nan 0.000 0.540 421 P HA 0.227 nan 4.420 nan 0.000 0.260 421 P C 0.593 177.709 177.300 -0.307 0.000 1.172 421 P CA 1.501 64.321 63.100 -0.467 0.000 0.760 421 P CB 0.734 32.176 31.700 -0.430 0.000 0.773 422 S N 1.219 116.825 115.700 -0.156 0.000 3.445 422 S HA -0.292 4.163 4.470 -0.026 0.000 0.319 422 S C 1.571 176.143 174.600 -0.047 0.000 1.209 422 S CA 0.885 59.042 58.200 -0.072 0.000 0.934 422 S CB -1.692 61.491 63.200 -0.029 0.000 0.999 422 S HN 0.767 nan 8.310 nan 0.000 0.582 423 A N 0.619 123.396 122.820 -0.071 0.000 1.985 423 A HA -0.112 4.193 4.320 -0.026 0.000 0.223 423 A C 2.396 179.960 177.584 -0.033 0.000 1.189 423 A CA 2.709 54.734 52.037 -0.019 0.000 0.658 423 A CB -1.244 17.736 19.000 -0.034 0.000 0.820 423 A HN 1.436 nan 8.150 nan 0.000 0.464 424 A N -0.978 121.794 122.820 -0.081 0.000 1.898 424 A HA -0.086 4.218 4.320 -0.026 0.000 0.216 424 A C 1.914 179.466 177.584 -0.054 0.000 1.181 424 A CA 1.911 53.889 52.037 -0.098 0.000 0.620 424 A CB -0.410 18.522 19.000 -0.114 0.000 0.819 424 A HN 0.525 nan 8.150 nan 0.000 0.442 425 E N 0.016 120.202 120.200 -0.024 0.000 2.107 425 E HA -0.031 4.304 4.350 -0.026 0.000 0.191 425 E C 1.980 178.595 176.600 0.025 0.000 0.982 425 E CA 0.691 57.090 56.400 -0.003 0.000 0.809 425 E CB -0.211 29.493 29.700 0.007 0.000 0.756 425 E HN 0.577 nan 8.360 nan 0.000 0.459 426 L N 0.352 121.607 121.223 0.053 0.000 2.027 426 L HA -0.131 4.193 4.340 -0.026 0.000 0.206 426 L C 2.522 179.436 176.870 0.074 0.000 1.074 426 L CA 1.452 56.350 54.840 0.098 0.000 0.745 426 L CB -0.996 41.152 42.059 0.148 0.000 0.898 426 L HN 0.221 nan 8.230 nan 0.000 0.433 427 V N -2.451 117.487 119.914 0.040 0.000 2.626 427 V HA -0.237 3.867 4.120 -0.026 0.000 0.252 427 V C 2.329 178.420 176.094 -0.005 0.000 1.067 427 V CA 1.554 63.864 62.300 0.017 0.000 1.081 427 V CB -0.659 31.155 31.823 -0.015 0.000 0.686 427 V HN 0.363 nan 8.190 nan 0.000 0.468 428 Q N 0.653 120.442 119.800 -0.018 0.000 2.119 428 Q HA -0.163 4.161 4.340 -0.026 0.000 0.201 428 Q C 2.288 178.288 176.000 -0.000 0.000 0.972 428 Q CA 2.069 57.852 55.803 -0.033 0.000 0.847 428 Q CB -0.474 28.236 28.738 -0.046 0.000 0.903 428 Q HN 0.811 nan 8.270 nan 0.000 0.433 429 Q N -1.310 118.508 119.800 0.029 0.000 2.084 429 Q HA -0.090 4.235 4.340 -0.026 0.000 0.202 429 Q C 1.944 177.988 176.000 0.073 0.000 0.978 429 Q CA 1.257 57.092 55.803 0.053 0.000 0.844 429 Q CB -0.385 28.407 28.738 0.090 0.000 0.898 429 Q HN 0.565 nan 8.270 nan 0.000 0.426 430 G N 0.357 109.201 108.800 0.073 0.000 2.470 430 G HA2 -0.170 3.775 3.960 -0.026 0.000 0.220 430 G HA3 -0.170 3.775 3.960 -0.026 0.000 0.220 430 G C 1.381 176.306 174.900 0.042 0.000 1.121 430 G CA 0.797 45.938 45.100 0.068 0.000 0.766 430 G HN 0.400 nan 8.290 nan 0.000 0.553 431 A N 0.715 123.544 122.820 0.015 0.000 1.930 431 A HA 0.209 4.513 4.320 -0.026 0.000 0.215 431 A C 2.326 179.908 177.584 -0.004 0.000 1.176 431 A CA 0.771 52.801 52.037 -0.012 0.000 0.632 431 A CB -0.193 18.779 19.000 -0.047 0.000 0.819 431 A HN 0.345 nan 8.150 nan 0.000 0.445 432 I N -0.060 120.525 120.570 0.025 0.000 2.226 432 I HA -0.196 3.959 4.170 -0.026 0.000 0.245 432 I C 2.709 178.937 176.117 0.186 0.000 1.100 432 I CA 1.115 62.463 61.300 0.079 0.000 1.374 432 I CB -0.962 37.103 38.000 0.108 0.000 1.057 432 I HN 0.373 nan 8.210 nan 0.000 0.413 433 G N 1.204 110.092 108.800 0.147 0.000 2.514 433 G HA2 -0.294 3.651 3.960 -0.026 0.000 0.217 433 G HA3 -0.294 3.651 3.960 -0.026 0.000 0.217 433 G C 1.729 176.722 174.900 0.156 0.000 1.198 433 G CA 0.840 46.038 45.100 0.162 0.000 0.780 433 G HN 0.231 nan 8.290 nan 0.000 0.565 434 M N -0.021 119.631 119.600 0.087 0.000 2.202 434 M HA -0.032 4.432 4.480 -0.026 0.000 0.262 434 M C 2.383 178.692 176.300 0.015 0.000 1.063 434 M CA 1.524 56.854 55.300 0.050 0.000 1.097 434 M CB -0.068 32.546 32.600 0.023 0.000 1.382 434 M HN 0.306 nan 8.290 nan 0.000 0.413 435 E N 0.227 120.405 120.200 -0.037 0.000 2.106 435 E HA -0.136 4.198 4.350 -0.026 0.000 0.192 435 E C 1.188 177.666 176.600 -0.203 0.000 0.984 435 E CA 1.583 57.875 56.400 -0.180 0.000 0.806 435 E CB -0.105 29.399 29.700 -0.326 0.000 0.750 435 E HN 0.503 nan 8.360 nan 0.000 0.458 436 F N -1.184 118.765 119.950 -0.002 0.000 2.765 436 F HA 0.339 4.851 4.527 -0.025 0.000 0.302 436 F C 1.579 177.383 175.800 0.007 0.000 1.111 436 F CA 0.589 58.590 58.000 0.000 0.000 1.359 436 F CB 0.870 39.869 39.000 -0.002 0.000 1.097 436 F HN 0.193 nan 8.300 nan 0.000 0.577 437 G N 0.257 109.152 108.800 0.159 0.000 2.163 437 G HA2 -0.263 3.682 3.960 -0.026 0.000 0.213 437 G HA3 -0.263 3.682 3.960 -0.026 0.000 0.213 437 G C 0.305 175.263 174.900 0.097 0.000 0.991 437 G CA -0.087 45.077 45.100 0.106 0.000 0.653 437 G HN 0.332 nan 8.290 nan 0.000 0.518 438 T N 0.826 115.445 114.554 0.109 0.000 2.923 438 T HA 0.403 4.737 4.350 -0.026 0.000 0.320 438 T C 1.016 175.757 174.700 0.068 0.000 1.074 438 T CA 0.728 62.880 62.100 0.087 0.000 1.131 438 T CB 1.172 70.096 68.868 0.094 0.000 1.058 438 T HN 1.523 nan 8.240 nan 0.000 0.535 439 S N 0.983 116.718 115.700 0.060 0.000 2.758 439 S HA 0.707 5.161 4.470 -0.026 0.000 0.292 439 S C 1.637 176.265 174.600 0.047 0.000 1.131 439 S CA -0.689 57.540 58.200 0.048 0.000 0.997 439 S CB 1.219 64.445 63.200 0.044 0.000 1.111 439 S HN 0.943 nan 8.310 nan 0.000 0.552 440 A N 0.416 123.254 122.820 0.030 0.000 1.930 440 A HA -0.035 4.269 4.320 -0.026 0.000 0.217 440 A C 2.036 179.630 177.584 0.016 0.000 1.175 440 A CA 1.124 53.167 52.037 0.011 0.000 0.627 440 A CB -0.871 18.115 19.000 -0.024 0.000 0.815 440 A HN 0.772 nan 8.150 nan 0.000 0.443 441 E N 0.661 120.880 120.200 0.033 0.000 2.110 441 E HA -0.159 4.176 4.350 -0.026 0.000 0.193 441 E C 1.428 178.074 176.600 0.076 0.000 0.988 441 E CA 1.185 57.622 56.400 0.060 0.000 0.804 441 E CB -0.451 29.296 29.700 0.078 0.000 0.745 441 E HN 0.557 nan 8.360 nan 0.000 0.458 442 D N 0.520 120.962 120.400 0.071 0.000 2.149 442 D HA -0.126 4.499 4.640 -0.026 0.000 0.198 442 D C 2.114 178.485 176.300 0.118 0.000 0.990 442 D CA 0.562 54.609 54.000 0.079 0.000 0.839 442 D CB -0.131 40.708 40.800 0.064 0.000 0.948 442 D HN 0.188 nan 8.370 nan 0.000 0.460 443 L N 0.357 121.659 121.223 0.131 0.000 2.156 443 L HA -0.029 4.295 4.340 -0.026 0.000 0.208 443 L C 2.511 179.551 176.870 0.284 0.000 1.095 443 L CA 1.072 56.042 54.840 0.218 0.000 0.770 443 L CB -0.490 41.673 42.059 0.172 0.000 0.914 443 L HN 0.075 nan 8.230 nan 0.000 0.439 444 G N -0.141 108.754 108.800 0.157 0.000 2.418 444 G HA2 -0.253 3.692 3.960 -0.026 0.000 0.217 444 G HA3 -0.253 3.692 3.960 -0.026 0.000 0.217 444 G C 1.487 176.554 174.900 0.278 0.000 1.158 444 G CA 0.403 45.584 45.100 0.135 0.000 0.771 444 G HN 0.262 nan 8.290 nan 0.000 0.545 445 M N 0.450 120.169 119.600 0.199 0.000 2.659 445 M HA 0.270 4.734 4.480 -0.026 0.000 0.243 445 M C 0.741 177.142 176.300 0.169 0.000 1.111 445 M CA 0.275 55.675 55.300 0.167 0.000 1.070 445 M CB -0.088 32.574 32.600 0.104 0.000 1.525 445 M HN 0.168 nan 8.290 nan 0.000 0.517 446 M N -0.433 119.306 119.600 0.230 0.000 2.371 446 M HA 0.290 4.754 4.480 -0.026 0.000 0.301 446 M C -0.216 176.153 176.300 0.115 0.000 1.173 446 M CA -0.713 54.670 55.300 0.140 0.000 1.020 446 M CB 1.596 34.268 32.600 0.121 0.000 1.490 446 M HN -0.291 nan 8.290 nan 0.000 0.485 447 V N 2.352 122.268 119.914 0.004 0.000 2.353 447 V HA 0.208 4.312 4.120 -0.026 0.000 0.264 447 V C -0.803 175.268 176.094 -0.038 0.000 1.049 447 V CA -0.151 62.146 62.300 -0.004 0.000 0.896 447 V CB -0.662 31.148 31.823 -0.022 0.000 1.025 447 V HN 0.444 nan 8.190 nan 0.000 0.475 448 F N 2.515 122.272 119.950 -0.321 0.000 2.411 448 F HA 0.383 4.894 4.527 -0.026 0.000 0.350 448 F C 1.300 177.039 175.800 -0.100 0.000 1.114 448 F CA -0.491 57.372 58.000 -0.228 0.000 1.135 448 F CB 1.118 39.926 39.000 -0.321 0.000 1.120 448 F HN 0.454 nan 8.300 nan 0.000 0.495 449 S N 2.108 117.843 115.700 0.059 0.000 2.593 449 S HA -0.109 4.346 4.470 -0.026 0.000 0.303 449 S C -0.445 174.233 174.600 0.131 0.000 1.267 449 S CA 0.346 58.591 58.200 0.074 0.000 1.047 449 S CB -0.231 62.990 63.200 0.035 0.000 0.777 449 S HN 0.679 nan 8.310 nan 0.000 0.498 450 H N 2.218 121.309 119.070 0.034 0.000 2.637 450 H HA 0.535 5.076 4.556 -0.026 0.000 0.363 450 H C -2.433 172.914 175.328 0.031 0.000 1.131 450 H CA -1.715 54.354 56.048 0.034 0.000 1.183 450 H CB 1.003 30.786 29.762 0.035 0.000 1.637 450 H HN 0.415 nan 8.280 nan 0.000 0.531 451 P HA 0.236 nan 4.420 nan 0.000 0.286 451 P C -1.128 176.059 177.300 -0.189 0.000 1.269 451 P CA -0.444 62.281 63.100 -0.624 0.000 0.787 451 P CB 1.271 32.590 31.700 -0.635 0.000 0.920 452 T N -1.024 113.479 114.554 -0.085 0.000 2.883 452 T HA 0.331 4.665 4.350 -0.026 0.000 0.301 452 T C 1.118 175.859 174.700 0.069 0.000 1.158 452 T CA -0.948 61.158 62.100 0.010 0.000 1.007 452 T CB 0.835 69.731 68.868 0.046 0.000 1.186 452 T HN 0.123 nan 8.240 nan 0.000 0.499 453 L N 1.076 122.365 121.223 0.109 0.000 2.191 453 L HA -0.055 4.270 4.340 -0.026 0.000 0.212 453 L C 2.832 179.831 176.870 0.214 0.000 1.103 453 L CA 1.164 56.129 54.840 0.208 0.000 0.769 453 L CB -0.787 41.379 42.059 0.177 0.000 0.908 453 L HN 0.761 nan 8.230 nan 0.000 0.438 454 S N -0.129 115.680 115.700 0.183 0.000 2.420 454 S HA -0.222 4.233 4.470 -0.026 0.000 0.237 454 S C 1.738 176.477 174.600 0.233 0.000 1.023 454 S CA 1.261 59.615 58.200 0.258 0.000 0.991 454 S CB -0.271 63.111 63.200 0.303 0.000 0.792 454 S HN 0.501 nan 8.310 nan 0.000 0.488 455 E N 1.291 121.563 120.200 0.120 0.000 2.160 455 E HA -0.119 4.216 4.350 -0.026 0.000 0.195 455 E C 2.250 178.682 176.600 -0.280 0.000 0.991 455 E CA 0.959 57.310 56.400 -0.081 0.000 0.810 455 E CB -0.259 29.407 29.700 -0.056 0.000 0.742 455 E HN 0.593 nan 8.360 nan 0.000 0.466 456 A N 0.800 123.504 122.820 -0.195 0.000 2.067 456 A HA -0.135 4.170 4.320 -0.026 0.000 0.219 456 A C 2.048 179.470 177.584 -0.270 0.000 1.158 456 A CA 0.717 52.539 52.037 -0.359 0.000 0.661 456 A CB -0.277 18.596 19.000 -0.212 0.000 0.801 456 A HN 0.215 nan 8.150 nan 0.000 0.452 457 L N -0.972 120.165 121.223 -0.144 0.000 2.044 457 L HA -0.076 4.249 4.340 -0.026 0.000 0.205 457 L C 2.231 178.923 176.870 -0.297 0.000 1.075 457 L CA 2.654 57.431 54.840 -0.106 0.000 0.747 457 L CB -0.962 41.140 42.059 0.071 0.000 0.903 457 L HN 0.578 nan 8.230 nan 0.000 0.435 458 H N 0.143 118.736 119.070 -0.796 0.000 2.251 458 H HA -0.168 4.372 4.556 -0.026 0.000 0.294 458 H C 2.106 177.085 175.328 -0.581 0.000 1.078 458 H CA 2.347 57.782 56.048 -1.020 0.000 1.246 458 H CB -0.070 28.890 29.762 -1.336 0.000 1.358 458 H HN 0.367 nan 8.280 nan 0.000 0.488 459 E N 0.092 119.885 120.200 -0.679 0.000 2.097 459 E HA -0.185 4.150 4.350 -0.026 0.000 0.196 459 E C 2.371 178.712 176.600 -0.432 0.000 1.000 459 E CA 1.144 57.124 56.400 -0.699 0.000 0.804 459 E CB -0.601 28.400 29.700 -1.164 0.000 0.740 459 E HN 0.619 nan 8.360 nan 0.000 0.454 460 A N 1.175 123.814 122.820 -0.301 0.000 2.015 460 A HA 0.022 4.326 4.320 -0.026 0.000 0.219 460 A C 2.378 179.874 177.584 -0.147 0.000 1.163 460 A CA 1.583 53.547 52.037 -0.122 0.000 0.646 460 A CB -0.345 18.631 19.000 -0.040 0.000 0.806 460 A HN 0.257 nan 8.150 nan 0.000 0.448 461 A N -0.594 122.112 122.820 -0.189 0.000 1.930 461 A HA 0.027 4.332 4.320 -0.026 0.000 0.217 461 A C 2.022 179.469 177.584 -0.228 0.000 1.175 461 A CA 1.570 53.516 52.037 -0.151 0.000 0.627 461 A CB -0.468 18.467 19.000 -0.110 0.000 0.815 461 A HN 0.401 nan 8.150 nan 0.000 0.443 462 L N -0.234 120.781 121.223 -0.347 0.000 1.976 462 L HA -0.093 4.232 4.340 -0.026 0.000 0.209 462 L C 2.944 179.546 176.870 -0.447 0.000 1.071 462 L CA 2.068 56.614 54.840 -0.491 0.000 0.746 462 L CB -1.097 40.675 42.059 -0.478 0.000 0.890 462 L HN 0.382 nan 8.230 nan 0.000 0.432 463 A N -1.292 121.368 122.820 -0.266 0.000 2.032 463 A HA -0.204 4.100 4.320 -0.026 0.000 0.221 463 A C 2.369 179.875 177.584 -0.130 0.000 1.165 463 A CA 1.823 53.769 52.037 -0.153 0.000 0.645 463 A CB -1.041 17.922 19.000 -0.061 0.000 0.807 463 A HN 0.291 nan 8.150 nan 0.000 0.453 464 V N 0.246 120.080 119.914 -0.134 0.000 2.380 464 V HA -0.260 3.844 4.120 -0.026 0.000 0.251 464 V C 1.059 177.107 176.094 -0.077 0.000 1.063 464 V CA 2.246 64.496 62.300 -0.083 0.000 1.055 464 V CB -0.840 30.943 31.823 -0.067 0.000 0.657 464 V HN 0.719 nan 8.190 nan 0.000 0.455 465 N N -0.744 117.876 118.700 -0.133 0.000 2.546 465 N HA 0.430 5.154 4.740 -0.026 0.000 0.286 465 N C 1.016 176.513 175.510 -0.023 0.000 1.259 465 N CA 0.615 53.628 53.050 -0.062 0.000 0.939 465 N CB 0.973 39.455 38.487 -0.008 0.000 1.243 465 N HN 0.390 nan 8.380 nan 0.000 0.511 466 G N 1.218 110.000 108.800 -0.030 0.000 2.609 466 G HA2 -0.364 3.580 3.960 -0.026 0.000 0.235 466 G HA3 -0.364 3.580 3.960 -0.026 0.000 0.235 466 G C 0.286 175.230 174.900 0.074 0.000 1.177 466 G CA 0.412 45.538 45.100 0.042 0.000 0.707 466 G HN 0.662 nan 8.290 nan 0.000 0.513 467 H N 0.947 119.994 119.070 -0.039 0.000 2.768 467 H HA 0.732 5.273 4.556 -0.026 0.000 0.228 467 H C 0.639 175.927 175.328 -0.067 0.000 1.812 467 H CA -0.024 55.995 56.048 -0.048 0.000 1.273 467 H CB -0.873 28.860 29.762 -0.049 0.000 1.631 467 H HN 0.807 nan 8.280 nan 0.000 0.526 468 A N 2.360 125.160 122.820 -0.035 0.000 2.320 468 A HA 0.264 4.569 4.320 -0.026 0.000 0.287 468 A C 1.194 178.781 177.584 0.004 0.000 1.181 468 A CA -0.668 51.334 52.037 -0.059 0.000 0.831 468 A CB 0.365 19.352 19.000 -0.022 0.000 1.102 468 A HN 0.352 nan 8.150 nan 0.000 0.513 469 I N 1.744 122.311 120.570 -0.005 0.000 2.099 469 I HA -0.198 3.956 4.170 -0.026 0.000 0.239 469 I C 1.341 177.412 176.117 -0.076 0.000 1.066 469 I CA 1.878 63.145 61.300 -0.055 0.000 1.324 469 I CB -1.593 36.358 38.000 -0.083 0.000 1.037 469 I HN 0.757 nan 8.210 nan 0.000 0.401 470 H N 0.025 119.122 119.070 0.046 0.000 2.708 470 H HA 0.270 4.811 4.556 -0.026 0.000 0.309 470 H C 1.028 176.454 175.328 0.164 0.000 1.084 470 H CA 0.251 56.372 56.048 0.121 0.000 1.165 470 H CB -0.117 29.751 29.762 0.176 0.000 1.388 470 H HN 0.466 nan 8.280 nan 0.000 0.553 471 I N -5.456 115.223 120.570 0.180 0.000 4.239 471 I HA 0.640 4.794 4.170 -0.026 0.000 0.282 471 I C 0.489 176.632 176.117 0.044 0.000 1.112 471 I CA -0.241 61.121 61.300 0.104 0.000 1.324 471 I CB 0.608 38.664 38.000 0.094 0.000 1.786 471 I HN 0.099 nan 8.210 nan 0.000 0.427 472 A N 0.000 122.842 122.820 0.036 0.000 2.254 472 A HA 0.000 4.305 4.320 -0.026 0.000 0.244 472 A CA 0.000 52.047 52.037 0.016 0.000 0.836 472 A CB 0.000 19.004 19.000 0.007 0.000 0.831 472 A HN 0.000 nan 8.150 nan 0.000 0.486