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 3pq2_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 29 L N 0.915 122.094 121.223 -0.074 0.000 2.477 29 L HA 0.337 4.691 4.340 0.024 0.000 0.220 29 L C 1.412 178.203 176.870 -0.132 0.000 1.106 29 L CA 0.276 55.068 54.840 -0.080 0.000 0.851 29 L CB -0.263 41.759 42.059 -0.062 0.000 0.994 29 L HN 0.716 nan 8.230 nan 0.000 0.462 30 A N 1.589 124.278 122.820 -0.220 0.000 2.425 30 A HA 0.363 4.697 4.320 0.024 0.000 0.242 30 A C -1.976 175.455 177.584 -0.255 0.000 1.077 30 A CA -0.909 50.869 52.037 -0.431 0.000 0.781 30 A CB -0.540 17.957 19.000 -0.838 0.000 1.020 30 A HN -0.010 nan 8.150 nan 0.000 0.494 31 P HA 0.115 nan 4.420 nan 0.000 0.271 31 P C 0.023 177.310 177.300 -0.022 0.000 1.218 31 P CA 0.029 63.098 63.100 -0.052 0.000 0.780 31 P CB 0.810 32.521 31.700 0.018 0.000 0.901 32 E N 0.810 121.005 120.200 -0.007 0.000 2.204 32 E HA -0.200 4.164 4.350 0.024 0.000 0.195 32 E C 1.243 177.864 176.600 0.036 0.000 0.990 32 E CA 1.401 57.805 56.400 0.008 0.000 0.821 32 E CB -0.085 29.616 29.700 0.002 0.000 0.750 32 E HN 0.575 nan 8.360 nan 0.000 0.477 33 D N -1.227 119.200 120.400 0.045 0.000 2.347 33 D HA -0.018 4.637 4.640 0.024 0.000 0.215 33 D C 1.216 177.563 176.300 0.079 0.000 0.976 33 D CA 0.874 54.904 54.000 0.051 0.000 0.884 33 D CB -0.009 40.813 40.800 0.037 0.000 0.915 33 D HN 0.167 nan 8.370 nan 0.000 0.526 34 G N 0.084 108.976 108.800 0.154 0.000 2.136 34 G HA2 -0.312 3.663 3.960 0.024 0.000 0.242 34 G HA3 -0.312 3.663 3.960 0.024 0.000 0.242 34 G C 0.914 175.883 174.900 0.115 0.000 0.989 34 G CA 0.740 45.962 45.100 0.203 0.000 0.682 34 G HN 0.710 nan 8.290 nan 0.000 0.522 35 S N 0.258 116.053 115.700 0.158 0.000 2.603 35 S HA 0.038 4.522 4.470 0.024 0.000 0.220 35 S C 1.878 176.528 174.600 0.084 0.000 0.967 35 S CA 0.942 59.187 58.200 0.074 0.000 0.920 35 S CB -0.464 62.773 63.200 0.063 0.000 0.773 35 S HN 0.930 nan 8.310 nan 0.000 0.529 36 H N 1.025 120.102 119.070 0.011 0.000 2.502 36 H HA 0.238 4.808 4.556 0.023 0.000 0.283 36 H C 0.808 176.148 175.328 0.020 0.000 1.015 36 H CA 0.402 56.458 56.048 0.013 0.000 1.298 36 H CB -0.274 29.495 29.762 0.011 0.000 1.411 36 H HN 0.343 nan 8.280 nan 0.000 0.556 37 R N 2.835 123.045 120.500 -0.484 0.000 2.295 37 R HA 0.341 4.695 4.340 0.024 0.000 0.324 37 R C -2.622 173.590 176.300 -0.146 0.000 0.968 37 R CA -2.314 53.567 56.100 -0.365 0.000 0.837 37 R CB 0.780 30.754 30.300 -0.543 0.000 1.133 37 R HN 0.082 nan 8.270 nan 0.000 0.450 38 P HA 0.144 nan 4.420 nan 0.000 0.271 38 P C -0.853 176.438 177.300 -0.015 0.000 1.216 38 P CA -0.375 62.715 63.100 -0.016 0.000 0.776 38 P CB 0.954 32.670 31.700 0.026 0.000 0.881 39 A N 2.776 125.593 122.820 -0.005 0.000 2.540 39 A HA 0.320 4.654 4.320 0.024 0.000 0.239 39 A C 1.029 178.623 177.584 0.017 0.000 1.061 39 A CA 0.226 52.264 52.037 0.002 0.000 0.758 39 A CB -0.457 18.547 19.000 0.006 0.000 0.991 39 A HN 0.584 nan 8.150 nan 0.000 0.502 40 A N 3.186 126.015 122.820 0.016 0.000 3.135 40 A HA 0.489 4.823 4.320 0.024 0.000 0.253 40 A C 0.399 178.001 177.584 0.029 0.000 1.638 40 A CA 0.191 52.244 52.037 0.026 0.000 1.295 40 A CB -0.829 18.184 19.000 0.021 0.000 1.106 40 A HN 0.907 nan 8.150 nan 0.000 0.648 41 E N -0.584 119.635 120.200 0.032 0.000 2.412 41 E HA 0.554 4.918 4.350 0.024 0.000 0.279 41 E C -3.276 173.345 176.600 0.035 0.000 0.984 41 E CA -2.540 53.879 56.400 0.033 0.000 0.788 41 E CB 1.027 30.741 29.700 0.024 0.000 1.277 41 E HN 0.049 nan 8.360 nan 0.000 0.455 42 P HA 0.093 nan 4.420 nan 0.000 0.267 42 P C -0.772 176.535 177.300 0.012 0.000 1.205 42 P CA 0.215 63.327 63.100 0.019 0.000 0.765 42 P CB 0.598 32.295 31.700 -0.005 0.000 0.828 43 T N 0.561 115.120 114.554 0.008 0.000 2.916 43 T HA 0.626 4.990 4.350 0.024 0.000 0.305 43 T C -2.989 171.695 174.700 -0.026 0.000 1.119 43 T CA -2.506 59.597 62.100 0.005 0.000 1.008 43 T CB 1.793 70.669 68.868 0.013 0.000 1.129 43 T HN 0.084 nan 8.240 nan 0.000 0.480 44 P HA 0.385 nan 4.420 nan 0.000 0.274 44 P C -2.768 174.412 177.300 -0.200 0.000 1.246 44 P CA -1.653 61.343 63.100 -0.173 0.000 0.795 44 P CB -0.924 30.759 31.700 -0.029 0.000 1.006 45 P HA 0.006 nan 4.420 nan 0.000 0.263 45 P C 1.126 178.379 177.300 -0.077 0.000 1.175 45 P CA 1.607 64.605 63.100 -0.170 0.000 0.761 45 P CB -0.302 31.279 31.700 -0.199 0.000 0.794 46 G N 2.581 111.364 108.800 -0.027 0.000 2.267 46 G HA2 -0.375 3.599 3.960 0.024 0.000 0.257 46 G HA3 -0.375 3.599 3.960 0.024 0.000 0.257 46 G C 1.221 176.121 174.900 -0.001 0.000 0.998 46 G CA 0.502 45.599 45.100 -0.005 0.000 0.620 46 G HN 0.691 nan 8.290 nan 0.000 0.529 47 A N -0.859 121.957 122.820 -0.006 0.000 2.015 47 A HA 0.376 4.711 4.320 0.024 0.000 0.219 47 A C 1.314 178.904 177.584 0.009 0.000 1.163 47 A CA 2.125 54.164 52.037 0.003 0.000 0.646 47 A CB -0.025 18.976 19.000 0.002 0.000 0.806 47 A HN 0.580 nan 8.150 nan 0.000 0.448 48 Q N -1.126 118.682 119.800 0.014 0.000 2.456 48 Q HA 0.415 4.769 4.340 0.024 0.000 0.284 48 Q C -3.001 173.016 176.000 0.028 0.000 1.061 48 Q CA -2.014 53.801 55.803 0.020 0.000 0.799 48 Q CB 1.087 29.840 28.738 0.024 0.000 1.445 48 Q HN 0.057 nan 8.270 nan 0.000 0.411 49 P HA 0.028 nan 4.420 nan 0.000 0.269 49 P C -0.224 177.110 177.300 0.057 0.000 1.209 49 P CA 0.059 63.176 63.100 0.028 0.000 0.776 49 P CB 0.267 31.981 31.700 0.023 0.000 0.876 50 T N -0.697 113.892 114.554 0.058 0.000 2.860 50 T HA 0.600 4.964 4.350 0.024 0.000 0.299 50 T C -0.024 174.769 174.700 0.155 0.000 1.045 50 T CA -0.498 61.690 62.100 0.145 0.000 1.071 50 T CB 0.643 69.550 68.868 0.065 0.000 0.985 50 T HN 0.566 nan 8.240 nan 0.000 0.537 51 A N 1.805 124.817 122.820 0.320 0.000 2.594 51 A HA 0.783 5.117 4.320 0.024 0.000 0.291 51 A C -3.024 174.833 177.584 0.455 0.000 1.105 51 A CA -2.078 50.121 52.037 0.271 0.000 0.694 51 A CB 0.696 19.807 19.000 0.185 0.000 1.291 51 A HN 0.662 nan 8.150 nan 0.000 0.410 52 P HA 0.116 nan 4.420 nan 0.000 0.265 52 P C 1.210 178.664 177.300 0.257 0.000 1.187 52 P CA 0.913 64.237 63.100 0.373 0.000 0.766 52 P CB 0.562 32.401 31.700 0.230 0.000 0.820 53 G N 2.238 111.151 108.800 0.187 0.000 2.442 53 G HA2 -0.281 3.693 3.960 0.024 0.000 0.219 53 G HA3 -0.281 3.693 3.960 0.024 0.000 0.219 53 G C 1.478 176.401 174.900 0.038 0.000 1.141 53 G CA 1.087 46.210 45.100 0.039 0.000 0.763 53 G HN 0.589 nan 8.290 nan 0.000 0.554 54 S N -0.129 115.599 115.700 0.046 0.000 2.489 54 S HA 0.185 4.669 4.470 0.024 0.000 0.228 54 S C 2.176 176.798 174.600 0.036 0.000 0.995 54 S CA 0.477 58.688 58.200 0.018 0.000 0.934 54 S CB -0.117 63.087 63.200 0.007 0.000 0.771 54 S HN 0.306 nan 8.310 nan 0.000 0.522 55 L N 0.068 121.330 121.223 0.064 0.000 2.202 55 L HA 0.242 4.596 4.340 0.024 0.000 0.205 55 L C 2.664 179.569 176.870 0.058 0.000 1.083 55 L CA 0.905 55.782 54.840 0.061 0.000 0.790 55 L CB -0.317 41.787 42.059 0.076 0.000 0.942 55 L HN 0.262 nan 8.230 nan 0.000 0.452 56 K N 1.349 121.795 120.400 0.076 0.000 2.116 56 K HA 0.040 4.374 4.320 0.024 0.000 0.203 56 K C 0.696 177.328 176.600 0.054 0.000 1.052 56 K CA 1.272 57.603 56.287 0.075 0.000 0.952 56 K CB 0.160 32.723 32.500 0.105 0.000 0.729 56 K HN 0.134 nan 8.250 nan 0.000 0.446 57 A N 0.769 123.614 122.820 0.041 0.000 3.370 57 A HA 0.355 4.689 4.320 0.024 0.000 0.295 57 A C -2.215 175.378 177.584 0.015 0.000 1.030 57 A CA -0.982 51.076 52.037 0.036 0.000 0.883 57 A CB 0.609 19.637 19.000 0.046 0.000 1.191 57 A HN 0.136 nan 8.150 nan 0.000 0.507 58 P HA -0.122 nan 4.420 nan 0.000 0.220 58 P C 0.128 177.422 177.300 -0.009 0.000 1.148 58 P CA 1.246 64.347 63.100 0.001 0.000 0.803 58 P CB 0.309 32.013 31.700 0.008 0.000 0.782 59 D N -1.117 119.282 120.400 -0.002 0.000 2.339 59 D HA 0.024 4.678 4.640 0.024 0.000 0.217 59 D C 0.240 176.529 176.300 -0.018 0.000 1.050 59 D CA 0.528 54.523 54.000 -0.008 0.000 0.856 59 D CB -0.387 40.415 40.800 0.003 0.000 0.922 59 D HN 0.096 nan 8.370 nan 0.000 0.518 60 T N 2.627 117.169 114.554 -0.021 0.000 2.729 60 T HA 0.325 4.689 4.350 0.024 0.000 0.296 60 T C 0.354 175.011 174.700 -0.072 0.000 0.928 60 T CA -0.456 61.618 62.100 -0.044 0.000 1.045 60 T CB 0.986 69.829 68.868 -0.041 0.000 0.902 60 T HN -0.154 nan 8.240 nan 0.000 0.500 61 R N 3.152 123.600 120.500 -0.086 0.000 2.795 61 R HA 0.643 4.997 4.340 0.024 0.000 0.275 61 R C -0.508 175.731 176.300 -0.102 0.000 0.981 61 R CA -1.060 54.984 56.100 -0.093 0.000 0.917 61 R CB 1.669 31.923 30.300 -0.078 0.000 1.202 61 R HN 0.821 nan 8.270 nan 0.000 0.469 62 N N -2.143 116.500 118.700 -0.094 0.000 2.934 62 N HA 0.087 4.841 4.740 0.024 0.000 0.253 62 N C 0.310 175.777 175.510 -0.071 0.000 1.466 62 N CA -0.836 52.173 53.050 -0.069 0.000 0.858 62 N CB 0.868 39.347 38.487 -0.014 0.000 1.459 62 N HN 0.559 nan 8.380 nan 0.000 0.532 63 E N -0.257 119.917 120.200 -0.044 0.000 2.097 63 E HA -0.309 4.055 4.350 0.024 0.000 0.196 63 E C 1.032 177.565 176.600 -0.111 0.000 1.000 63 E CA 1.616 57.984 56.400 -0.052 0.000 0.804 63 E CB 0.083 29.778 29.700 -0.009 0.000 0.740 63 E HN 0.503 nan 8.360 nan 0.000 0.454 64 K N 0.671 120.972 120.400 -0.164 0.000 2.031 64 K HA -0.075 4.259 4.320 0.024 0.000 0.205 64 K C 2.119 178.552 176.600 -0.280 0.000 1.049 64 K CA 1.114 57.204 56.287 -0.330 0.000 0.939 64 K CB -0.456 31.671 32.500 -0.622 0.000 0.717 64 K HN 0.171 nan 8.250 nan 0.000 0.438 65 L N 0.966 122.040 121.223 -0.248 0.000 2.079 65 L HA -0.227 4.127 4.340 0.024 0.000 0.210 65 L C 1.886 178.641 176.870 -0.192 0.000 1.081 65 L CA 1.307 55.977 54.840 -0.284 0.000 0.752 65 L CB -0.602 41.287 42.059 -0.283 0.000 0.896 65 L HN 0.273 nan 8.230 nan 0.000 0.433 66 N N -0.340 118.273 118.700 -0.145 0.000 2.120 66 N HA -0.158 4.596 4.740 0.024 0.000 0.188 66 N C 2.063 177.512 175.510 -0.101 0.000 1.024 66 N CA 1.706 54.693 53.050 -0.104 0.000 0.852 66 N CB -0.430 38.010 38.487 -0.079 0.000 1.003 66 N HN 0.376 nan 8.380 nan 0.000 0.424 67 S N 0.383 116.012 115.700 -0.119 0.000 2.474 67 S HA 0.038 4.522 4.470 0.024 0.000 0.235 67 S C 1.819 176.353 174.600 -0.109 0.000 0.997 67 S CA 0.355 58.492 58.200 -0.105 0.000 0.949 67 S CB -0.463 62.667 63.200 -0.115 0.000 0.766 67 S HN 0.237 nan 8.310 nan 0.000 0.517 68 L N 0.842 121.984 121.223 -0.135 0.000 2.552 68 L HA 0.159 4.514 4.340 0.024 0.000 0.227 68 L C 2.626 179.446 176.870 -0.083 0.000 1.146 68 L CA 0.605 55.373 54.840 -0.118 0.000 0.858 68 L CB -0.399 41.570 42.059 -0.149 0.000 0.969 68 L HN 0.289 nan 8.230 nan 0.000 0.451 69 E N 1.105 121.260 120.200 -0.074 0.000 2.160 69 E HA -0.264 4.100 4.350 0.024 0.000 0.195 69 E C 1.724 178.303 176.600 -0.035 0.000 0.991 69 E CA 1.569 57.939 56.400 -0.050 0.000 0.810 69 E CB -0.072 29.602 29.700 -0.044 0.000 0.742 69 E HN 0.569 nan 8.360 nan 0.000 0.466 70 D N -0.381 119.997 120.400 -0.038 0.000 2.265 70 D HA -0.149 4.506 4.640 0.024 0.000 0.208 70 D C 1.617 177.902 176.300 -0.024 0.000 0.977 70 D CA 1.605 55.588 54.000 -0.028 0.000 0.871 70 D CB -0.273 40.510 40.800 -0.029 0.000 0.925 70 D HN 0.322 nan 8.370 nan 0.000 0.485 71 V N -3.567 116.330 119.914 -0.028 0.000 3.605 71 V HA 0.318 4.452 4.120 0.024 0.000 0.284 71 V C 0.937 177.024 176.094 -0.012 0.000 1.386 71 V CA -0.651 61.638 62.300 -0.019 0.000 1.053 71 V CB -0.460 31.351 31.823 -0.020 0.000 0.857 71 V HN -0.160 nan 8.190 nan 0.000 0.436 72 R N 1.986 122.478 120.500 -0.014 0.000 2.442 72 R HA 0.407 4.761 4.340 0.024 0.000 0.291 72 R C -0.229 176.073 176.300 0.004 0.000 1.069 72 R CA 0.112 56.212 56.100 -0.000 0.000 1.022 72 R CB 0.692 30.991 30.300 -0.002 0.000 0.976 72 R HN 0.347 nan 8.270 nan 0.000 0.443 73 K N 1.406 121.812 120.400 0.011 0.000 2.358 73 K HA 0.284 4.618 4.320 0.024 0.000 0.260 73 K C 0.082 176.701 176.600 0.032 0.000 0.956 73 K CA -0.388 55.895 56.287 -0.006 0.000 0.834 73 K CB 1.766 34.250 32.500 -0.026 0.000 1.102 73 K HN 0.748 nan 8.250 nan 0.000 0.431 74 G N 0.593 109.435 108.800 0.070 0.000 2.514 74 G HA2 0.156 4.130 3.960 0.024 0.000 0.245 74 G HA3 0.156 4.130 3.960 0.024 0.000 0.245 74 G C 0.434 175.451 174.900 0.194 0.000 1.488 74 G CA 0.380 45.573 45.100 0.154 0.000 1.063 74 G HN 0.702 nan 8.290 nan 0.000 0.557 75 S N -2.763 113.124 115.700 0.311 0.000 2.323 75 S HA 0.098 4.582 4.470 0.024 0.000 0.233 75 S C 0.193 174.948 174.600 0.258 0.000 0.898 75 S CA -0.135 58.247 58.200 0.304 0.000 1.321 75 S CB 0.028 63.317 63.200 0.149 0.000 0.921 75 S HN 0.509 nan 8.310 nan 0.000 0.398 76 E N 3.033 123.304 120.200 0.118 0.000 2.384 76 E HA 0.345 4.709 4.350 0.024 0.000 0.266 76 E C -0.188 176.312 176.600 -0.166 0.000 1.012 76 E CA 0.141 56.543 56.400 0.004 0.000 0.901 76 E CB 0.094 29.792 29.700 -0.003 0.000 0.967 76 E HN 0.378 nan 8.360 nan 0.000 0.435 77 N N 0.444 119.066 118.700 -0.131 0.000 2.936 77 N HA -0.206 4.548 4.740 0.024 0.000 0.236 77 N C -1.122 174.243 175.510 -0.242 0.000 0.930 77 N CA 1.150 54.076 53.050 -0.206 0.000 0.966 77 N CB -1.322 36.999 38.487 -0.276 0.000 1.090 77 N HN 0.389 nan 8.380 nan 0.000 0.592 78 Y N 0.799 121.105 120.300 0.011 0.000 2.361 78 Y HA 0.638 5.203 4.550 0.025 0.000 0.332 78 Y C 0.942 176.846 175.900 0.006 0.000 1.101 78 Y CA -0.689 57.416 58.100 0.009 0.000 1.137 78 Y CB 1.074 39.540 38.460 0.010 0.000 1.207 78 Y HN 0.133 nan 8.280 nan 0.000 0.463 79 A N 3.014 125.953 122.820 0.198 0.000 2.462 79 A HA 0.327 4.661 4.320 0.024 0.000 0.243 79 A C -0.517 177.117 177.584 0.083 0.000 1.076 79 A CA -0.497 51.603 52.037 0.105 0.000 0.773 79 A CB -0.044 19.004 19.000 0.079 0.000 1.010 79 A HN 0.733 nan 8.150 nan 0.000 0.493 80 L N 3.240 124.493 121.223 0.050 0.000 2.462 80 L HA 0.452 4.807 4.340 0.024 0.000 0.272 80 L C 0.696 177.575 176.870 0.015 0.000 1.166 80 L CA 1.336 56.191 54.840 0.025 0.000 0.880 80 L CB 0.199 42.265 42.059 0.011 0.000 1.142 80 L HN 0.897 nan 8.230 nan 0.000 0.473 81 T N 0.478 115.036 114.554 0.005 0.000 2.901 81 T HA 0.633 4.997 4.350 0.024 0.000 0.293 81 T C 0.188 174.890 174.700 0.004 0.000 1.084 81 T CA -0.209 61.897 62.100 0.009 0.000 1.008 81 T CB 1.053 69.927 68.868 0.011 0.000 1.170 81 T HN 0.822 nan 8.240 nan 0.000 0.509 82 T N 0.675 115.245 114.554 0.026 0.000 2.680 82 T HA 0.145 4.509 4.350 0.024 0.000 0.314 82 T C 1.127 175.844 174.700 0.028 0.000 1.045 82 T CA -0.335 61.789 62.100 0.041 0.000 1.025 82 T CB -0.092 68.843 68.868 0.112 0.000 1.000 82 T HN 0.583 nan 8.240 nan 0.000 0.535 83 N N 0.593 119.312 118.700 0.031 0.000 2.453 83 N HA -0.077 4.677 4.740 0.024 0.000 0.183 83 N C 1.617 177.146 175.510 0.031 0.000 1.041 83 N CA 0.672 53.734 53.050 0.019 0.000 0.900 83 N CB -0.188 38.320 38.487 0.034 0.000 0.961 83 N HN 0.573 nan 8.380 nan 0.000 0.443 84 Q N -0.467 119.364 119.800 0.052 0.000 2.403 84 Q HA 0.175 4.529 4.340 0.024 0.000 0.203 84 Q C 0.790 176.812 176.000 0.035 0.000 0.932 84 Q CA 0.205 56.034 55.803 0.044 0.000 0.945 84 Q CB 0.320 29.090 28.738 0.054 0.000 1.045 84 Q HN 0.402 nan 8.270 nan 0.000 0.511 85 G N 0.491 109.310 108.800 0.031 0.000 2.136 85 G HA2 -0.240 3.734 3.960 0.024 0.000 0.242 85 G HA3 -0.240 3.734 3.960 0.024 0.000 0.242 85 G C 0.088 175.012 174.900 0.040 0.000 0.989 85 G CA 0.157 45.270 45.100 0.022 0.000 0.682 85 G HN 0.232 nan 8.290 nan 0.000 0.522 86 V N 1.827 121.783 119.914 0.069 0.000 2.432 86 V HA 0.331 4.466 4.120 0.024 0.000 0.271 86 V C 1.333 177.466 176.094 0.066 0.000 1.046 86 V CA -0.608 61.745 62.300 0.088 0.000 0.945 86 V CB 0.967 32.891 31.823 0.168 0.000 0.992 86 V HN 0.418 nan 8.190 nan 0.000 0.471 87 R N 4.619 125.150 120.500 0.051 0.000 2.585 87 R HA 0.255 4.610 4.340 0.024 0.000 0.275 87 R C -0.459 175.855 176.300 0.023 0.000 1.018 87 R CA 0.110 56.231 56.100 0.035 0.000 1.072 87 R CB 0.377 30.697 30.300 0.034 0.000 0.953 87 R HN 0.576 nan 8.270 nan 0.000 0.419 88 I N 2.229 122.801 120.570 0.003 0.000 2.331 88 I HA 0.109 4.293 4.170 0.024 0.000 0.292 88 I C 0.995 177.101 176.117 -0.018 0.000 0.998 88 I CA 0.035 61.320 61.300 -0.025 0.000 1.267 88 I CB 1.843 39.818 38.000 -0.041 0.000 1.386 88 I HN 0.776 nan 8.210 nan 0.000 0.476 89 A N 4.182 126.987 122.820 -0.024 0.000 1.911 89 A HA 0.007 4.341 4.320 0.024 0.000 0.212 89 A C 0.704 178.273 177.584 -0.026 0.000 1.189 89 A CA 0.891 52.917 52.037 -0.018 0.000 0.639 89 A CB 0.057 19.049 19.000 -0.013 0.000 0.839 89 A HN 0.677 nan 8.150 nan 0.000 0.449 90 D N -0.426 119.950 120.400 -0.040 0.000 2.420 90 D HA 0.321 4.976 4.640 0.024 0.000 0.255 90 D C -1.288 174.979 176.300 -0.054 0.000 1.185 90 D CA -0.376 53.599 54.000 -0.042 0.000 0.904 90 D CB 1.063 41.838 40.800 -0.041 0.000 1.102 90 D HN 0.058 nan 8.370 nan 0.000 0.534 91 D N 2.025 122.396 120.400 -0.048 0.000 2.434 91 D HA 0.050 4.704 4.640 0.024 0.000 0.232 91 D C 0.582 176.850 176.300 -0.053 0.000 1.166 91 D CA 0.268 54.236 54.000 -0.054 0.000 0.830 91 D CB 0.479 41.252 40.800 -0.044 0.000 0.960 91 D HN 0.244 nan 8.370 nan 0.000 0.497 92 Q N -0.631 119.140 119.800 -0.050 0.000 2.246 92 Q HA 0.266 4.620 4.340 0.024 0.000 0.222 92 Q C -0.204 175.766 176.000 -0.050 0.000 0.851 92 Q CA 0.144 55.918 55.803 -0.047 0.000 0.945 92 Q CB 0.836 29.551 28.738 -0.038 0.000 1.122 92 Q HN 0.198 nan 8.270 nan 0.000 0.508 93 N N 0.096 118.763 118.700 -0.054 0.000 2.277 93 N HA 0.295 5.050 4.740 0.024 0.000 0.286 93 N C -0.990 174.484 175.510 -0.060 0.000 1.140 93 N CA -0.229 52.790 53.050 -0.051 0.000 0.799 93 N CB 2.133 40.595 38.487 -0.042 0.000 1.596 93 N HN -0.176 nan 8.380 nan 0.000 0.473 94 S N 0.779 116.446 115.700 -0.054 0.000 2.603 94 S HA 0.271 4.756 4.470 0.024 0.000 0.268 94 S C 0.184 174.756 174.600 -0.047 0.000 1.317 94 S CA -0.548 57.619 58.200 -0.054 0.000 1.012 94 S CB 0.711 63.886 63.200 -0.043 0.000 0.926 94 S HN 0.391 nan 8.310 nan 0.000 0.539 95 L N 3.181 124.376 121.223 -0.047 0.000 2.319 95 L HA 0.432 4.786 4.340 0.024 0.000 0.280 95 L C 0.073 176.933 176.870 -0.017 0.000 1.099 95 L CA 0.348 55.169 54.840 -0.031 0.000 0.828 95 L CB 0.002 42.043 42.059 -0.029 0.000 1.150 95 L HN 0.730 nan 8.230 nan 0.000 0.442 96 R N 4.154 124.647 120.500 -0.013 0.000 2.808 96 R HA 0.841 5.195 4.340 0.024 0.000 0.272 96 R C -1.113 175.185 176.300 -0.003 0.000 0.995 96 R CA -0.838 55.257 56.100 -0.008 0.000 0.917 96 R CB 1.162 31.455 30.300 -0.011 0.000 1.217 96 R HN 0.596 nan 8.270 nan 0.000 0.471 97 A N 1.446 124.266 122.820 -0.000 0.000 2.671 97 A HA 0.560 4.894 4.320 0.024 0.000 0.306 97 A C 0.649 178.232 177.584 -0.001 0.000 1.473 97 A CA 0.407 52.445 52.037 0.001 0.000 1.155 97 A CB -1.045 17.957 19.000 0.004 0.000 1.123 97 A HN 1.245 nan 8.150 nan 0.000 0.545 98 G N 1.141 109.940 108.800 -0.002 0.000 2.719 98 G HA2 0.044 4.018 3.960 0.024 0.000 0.686 98 G HA3 0.044 4.018 3.960 0.024 0.000 0.686 98 G C 0.618 175.514 174.900 -0.006 0.000 1.201 98 G CA 0.072 45.170 45.100 -0.004 0.000 0.768 98 G HN 1.800 nan 8.290 nan 0.000 0.629 99 S N -0.170 115.525 115.700 -0.007 0.000 2.555 99 S HA 0.003 4.488 4.470 0.024 0.000 0.230 99 S C 1.466 176.060 174.600 -0.010 0.000 0.978 99 S CA 1.315 59.509 58.200 -0.010 0.000 0.934 99 S CB 0.028 63.222 63.200 -0.010 0.000 0.766 99 S HN 0.781 nan 8.310 nan 0.000 0.533 100 R N 0.820 121.315 120.500 -0.008 0.000 2.613 100 R HA 0.366 4.720 4.340 0.024 0.000 0.361 100 R C 0.884 177.180 176.300 -0.007 0.000 1.072 100 R CA 0.040 56.135 56.100 -0.008 0.000 1.089 100 R CB 0.767 31.062 30.300 -0.007 0.000 1.343 100 R HN 0.406 nan 8.270 nan 0.000 0.571 101 G N 1.746 110.542 108.800 -0.007 0.000 2.671 101 G HA2 0.437 4.411 3.960 0.024 0.000 0.275 101 G HA3 0.437 4.411 3.960 0.024 0.000 0.275 101 G C -2.471 172.426 174.900 -0.005 0.000 1.368 101 G CA -1.143 43.955 45.100 -0.005 0.000 1.044 101 G HN -0.110 nan 8.290 nan 0.000 0.543 102 P HA 0.278 nan 4.420 nan 0.000 0.281 102 P C -0.319 176.979 177.300 -0.002 0.000 1.249 102 P CA -0.154 62.945 63.100 -0.002 0.000 0.810 102 P CB 1.084 32.785 31.700 0.001 0.000 1.008 103 T N 2.253 116.805 114.554 -0.004 0.000 2.919 103 T HA 0.250 4.614 4.350 0.024 0.000 0.302 103 T C 0.442 175.144 174.700 0.004 0.000 1.031 103 T CA -0.034 62.064 62.100 -0.004 0.000 1.127 103 T CB -0.037 68.826 68.868 -0.008 0.000 0.952 103 T HN 0.177 nan 8.240 nan 0.000 0.540 104 L N 3.556 124.783 121.223 0.007 0.000 2.307 104 L HA 0.330 4.684 4.340 0.024 0.000 0.282 104 L C 1.318 178.205 176.870 0.027 0.000 1.051 104 L CA -0.789 54.061 54.840 0.017 0.000 0.804 104 L CB 1.166 43.237 42.059 0.020 0.000 1.197 104 L HN 0.517 nan 8.230 nan 0.000 0.431 105 L N 2.491 123.733 121.223 0.033 0.000 2.191 105 L HA -0.189 4.165 4.340 0.024 0.000 0.212 105 L C 2.348 179.258 176.870 0.067 0.000 1.103 105 L CA 1.652 56.518 54.840 0.044 0.000 0.769 105 L CB -0.536 41.547 42.059 0.039 0.000 0.908 105 L HN 0.788 nan 8.230 nan 0.000 0.438 106 E N -1.517 118.727 120.200 0.073 0.000 2.515 106 E HA -0.200 4.164 4.350 0.024 0.000 0.201 106 E C 0.266 176.968 176.600 0.171 0.000 1.071 106 E CA 0.330 56.802 56.400 0.120 0.000 0.880 106 E CB -0.563 29.201 29.700 0.107 0.000 0.828 106 E HN 0.380 nan 8.360 nan 0.000 0.540 107 D N 1.208 121.661 120.400 0.087 0.000 2.489 107 D HA -0.060 4.594 4.640 0.024 0.000 0.237 107 D C 0.397 176.711 176.300 0.023 0.000 1.212 107 D CA -0.343 53.662 54.000 0.007 0.000 1.058 107 D CB -0.223 40.552 40.800 -0.042 0.000 1.098 107 D HN 0.315 nan 8.370 nan 0.000 0.509 108 F N 1.583 121.541 119.950 0.013 0.000 2.456 108 F HA 0.116 4.653 4.527 0.017 0.000 0.298 108 F C 1.656 177.468 175.800 0.020 0.000 1.104 108 F CA 0.006 58.017 58.000 0.018 0.000 1.435 108 F CB -0.583 38.427 39.000 0.017 0.000 1.078 108 F HN 0.162 nan 8.300 nan 0.000 0.546 109 I N 0.395 120.577 120.570 -0.646 0.000 2.286 109 I HA -0.189 3.995 4.170 0.024 0.000 0.245 109 I C 2.464 178.480 176.117 -0.169 0.000 1.104 109 I CA 0.962 62.001 61.300 -0.436 0.000 1.397 109 I CB -0.442 37.234 38.000 -0.540 0.000 1.072 109 I HN 0.280 nan 8.210 nan 0.000 0.417 110 L N 1.112 122.245 121.223 -0.150 0.000 1.994 110 L HA -0.188 4.166 4.340 0.024 0.000 0.208 110 L C 2.620 179.481 176.870 -0.015 0.000 1.071 110 L CA 1.880 56.675 54.840 -0.074 0.000 0.745 110 L CB -0.559 41.462 42.059 -0.063 0.000 0.892 110 L HN 0.043 nan 8.230 nan 0.000 0.431 111 R N -0.608 119.902 120.500 0.016 0.000 2.115 111 R HA -0.160 4.194 4.340 0.024 0.000 0.230 111 R C 2.295 178.650 176.300 0.092 0.000 1.111 111 R CA 1.398 57.535 56.100 0.063 0.000 0.976 111 R CB -0.338 30.014 30.300 0.087 0.000 0.870 111 R HN 0.599 nan 8.270 nan 0.000 0.445 112 E N 1.250 121.509 120.200 0.098 0.000 2.051 112 E HA -0.237 4.127 4.350 0.024 0.000 0.192 112 E C 1.932 178.608 176.600 0.127 0.000 0.991 112 E CA 1.243 57.719 56.400 0.126 0.000 0.799 112 E CB 0.116 29.895 29.700 0.130 0.000 0.748 112 E HN 0.146 nan 8.360 nan 0.000 0.449 113 K N 0.274 120.718 120.400 0.073 0.000 2.026 113 K HA -0.134 4.200 4.320 0.024 0.000 0.208 113 K C 2.106 178.776 176.600 0.117 0.000 1.048 113 K CA 1.345 57.672 56.287 0.067 0.000 0.929 113 K CB -0.022 32.477 32.500 -0.002 0.000 0.713 113 K HN 0.153 nan 8.250 nan 0.000 0.439 114 I N 1.301 121.921 120.570 0.083 0.000 2.439 114 I HA -0.160 4.024 4.170 0.024 0.000 0.251 114 I C 2.091 178.315 176.117 0.178 0.000 1.139 114 I CA 1.213 62.579 61.300 0.110 0.000 1.438 114 I CB -1.373 36.654 38.000 0.045 0.000 1.085 114 I HN 0.228 nan 8.210 nan 0.000 0.427 115 T N -0.255 114.397 114.554 0.163 0.000 2.708 115 T HA -0.217 4.147 4.350 0.024 0.000 0.266 115 T C 1.965 176.801 174.700 0.227 0.000 1.037 115 T CA 1.409 63.626 62.100 0.195 0.000 1.146 115 T CB -0.400 68.591 68.868 0.205 0.000 0.865 115 T HN 0.346 nan 8.240 nan 0.000 0.435 116 H N -0.126 119.038 119.070 0.156 0.000 2.357 116 H HA -0.053 4.517 4.556 0.023 0.000 0.301 116 H C 2.202 177.592 175.328 0.102 0.000 1.082 116 H CA 1.456 57.584 56.048 0.133 0.000 1.342 116 H CB -0.427 29.393 29.762 0.097 0.000 1.389 116 H HN 0.378 nan 8.280 nan 0.000 0.511 117 F N 2.199 122.215 119.950 0.110 0.000 2.065 117 F HA -0.246 4.293 4.527 0.019 0.000 0.298 117 F C 2.011 177.755 175.800 -0.093 0.000 1.112 117 F CA 1.988 59.995 58.000 0.011 0.000 1.212 117 F CB -0.410 38.590 39.000 0.001 0.000 0.975 117 F HN 0.080 nan 8.300 nan 0.000 0.476 118 D N -1.217 119.112 120.400 -0.118 0.000 2.354 118 D HA -0.150 4.504 4.640 0.024 0.000 0.216 118 D C 1.133 177.029 176.300 -0.672 0.000 0.970 118 D CA 1.201 54.958 54.000 -0.404 0.000 0.905 118 D CB -0.345 40.194 40.800 -0.436 0.000 0.903 118 D HN 0.508 nan 8.370 nan 0.000 0.508 119 H N -0.800 118.153 119.070 -0.196 0.000 2.649 119 H HA 0.216 4.782 4.556 0.018 0.000 0.258 119 H C 0.983 176.152 175.328 -0.266 0.000 1.165 119 H CA -0.154 55.774 56.048 -0.199 0.000 1.006 119 H CB 0.514 30.177 29.762 -0.164 0.000 1.743 119 H HN 0.242 nan 8.280 nan 0.000 0.609 120 E N 0.692 120.731 120.200 -0.268 0.000 2.150 120 E HA -0.047 4.317 4.350 0.024 0.000 0.193 120 E C 0.489 176.934 176.600 -0.259 0.000 0.985 120 E CA 0.622 56.836 56.400 -0.310 0.000 0.814 120 E CB 0.455 29.945 29.700 -0.350 0.000 0.752 120 E HN 0.150 nan 8.360 nan 0.000 0.466 121 R N 1.139 121.546 120.500 -0.154 0.000 2.404 121 R HA 0.370 4.724 4.340 0.024 0.000 0.291 121 R C 0.375 176.706 176.300 0.052 0.000 1.025 121 R CA -0.307 55.771 56.100 -0.038 0.000 0.991 121 R CB 0.855 31.125 30.300 -0.049 0.000 1.053 121 R HN 0.150 nan 8.270 nan 0.000 0.479 122 I N -0.939 119.724 120.570 0.154 0.000 2.797 122 I HA 0.581 4.765 4.170 0.024 0.000 0.307 122 I C -2.228 173.949 176.117 0.100 0.000 1.033 122 I CA -2.924 58.459 61.300 0.139 0.000 1.071 122 I CB 1.781 39.902 38.000 0.201 0.000 1.255 122 I HN 0.258 nan 8.210 nan 0.000 0.445 123 P HA 0.060 nan 4.420 nan 0.000 0.265 123 P C -0.840 176.491 177.300 0.051 0.000 1.193 123 P CA -0.034 63.092 63.100 0.044 0.000 0.765 123 P CB 0.391 32.106 31.700 0.024 0.000 0.823 124 E N 2.759 122.991 120.200 0.054 0.000 2.391 124 E HA 0.174 4.538 4.350 0.024 0.000 0.255 124 E C -0.416 176.211 176.600 0.046 0.000 1.187 124 E CA -0.819 55.618 56.400 0.062 0.000 0.941 124 E CB 0.614 30.357 29.700 0.071 0.000 1.010 124 E HN 0.265 nan 8.360 nan 0.000 0.458 125 R N 0.625 121.159 120.500 0.056 0.000 2.623 125 R HA 0.004 4.359 4.340 0.024 0.000 0.271 125 R C 1.309 177.645 176.300 0.060 0.000 1.043 125 R CA -0.458 55.672 56.100 0.051 0.000 1.083 125 R CB 0.305 30.657 30.300 0.085 0.000 0.974 125 R HN 0.573 nan 8.270 nan 0.000 0.436 126 I N 1.878 122.478 120.570 0.050 0.000 2.226 126 I HA -0.138 4.046 4.170 0.024 0.000 0.245 126 I C 1.222 177.393 176.117 0.090 0.000 1.100 126 I CA 1.501 62.839 61.300 0.064 0.000 1.374 126 I CB -1.054 36.988 38.000 0.071 0.000 1.057 126 I HN 0.385 nan 8.210 nan 0.000 0.413 127 V N -3.394 116.611 119.914 0.151 0.000 3.074 127 V HA 0.509 4.643 4.120 0.024 0.000 0.314 127 V C 0.505 176.771 176.094 0.288 0.000 1.117 127 V CA -0.854 61.559 62.300 0.188 0.000 1.014 127 V CB 1.719 33.729 31.823 0.312 0.000 1.057 127 V HN 0.424 nan 8.190 nan 0.000 0.438 128 H N 0.045 119.182 119.070 0.112 0.000 2.861 128 H HA -0.234 4.336 4.556 0.023 0.000 0.289 128 H C 1.604 176.982 175.328 0.084 0.000 1.176 128 H CA 0.796 56.902 56.048 0.097 0.000 1.146 128 H CB -1.241 28.567 29.762 0.076 0.000 1.330 128 H HN 1.158 nan 8.280 nan 0.000 0.379 129 A N 0.747 123.660 122.820 0.154 0.000 2.024 129 A HA -0.131 4.203 4.320 0.024 0.000 0.220 129 A C 1.694 179.370 177.584 0.154 0.000 1.164 129 A CA 1.449 53.565 52.037 0.132 0.000 0.643 129 A CB -0.117 18.939 19.000 0.093 0.000 0.806 129 A HN 0.282 nan 8.150 nan 0.000 0.451 130 R N -0.015 120.577 120.500 0.154 0.000 2.207 130 R HA 0.528 4.882 4.340 0.024 0.000 0.334 130 R C -0.198 176.232 176.300 0.217 0.000 1.013 130 R CA 0.654 56.863 56.100 0.182 0.000 0.858 130 R CB 0.477 30.869 30.300 0.153 0.000 1.094 130 R HN 0.319 nan 8.270 nan 0.000 0.457 131 G N 0.903 109.859 108.800 0.261 0.000 2.673 131 G HA2 0.488 4.462 3.960 0.024 0.000 0.292 131 G HA3 0.488 4.462 3.960 0.024 0.000 0.292 131 G C -1.631 173.430 174.900 0.269 0.000 1.450 131 G CA -0.590 44.629 45.100 0.199 0.000 0.837 131 G HN 0.494 nan 8.290 nan 0.000 0.505 132 S N -0.910 114.895 115.700 0.174 0.000 2.538 132 S HA 0.890 5.374 4.470 0.024 0.000 0.288 132 S C -0.088 174.527 174.600 0.026 0.000 1.108 132 S CA -0.170 58.189 58.200 0.264 0.000 0.971 132 S CB 1.749 65.222 63.200 0.455 0.000 1.041 132 S HN 1.539 nan 8.310 nan 0.000 0.483 133 A N 1.616 124.406 122.820 -0.051 0.000 2.469 133 A HA 1.035 5.369 4.320 0.024 0.000 0.299 133 A C -0.880 176.489 177.584 -0.359 0.000 1.098 133 A CA -0.754 51.028 52.037 -0.425 0.000 0.737 133 A CB 1.622 20.208 19.000 -0.690 0.000 1.312 133 A HN 1.342 nan 8.150 nan 0.000 0.414 134 A N 0.462 122.895 122.820 -0.645 0.000 2.612 134 A HA 0.700 5.034 4.320 0.024 0.000 0.293 134 A C -1.119 176.242 177.584 -0.370 0.000 1.075 134 A CA -0.669 51.162 52.037 -0.343 0.000 0.680 134 A CB 0.713 19.625 19.000 -0.148 0.000 1.279 134 A HN 0.881 nan 8.150 nan 0.000 0.411 135 H N -0.225 118.869 119.070 0.041 0.000 2.505 135 H HA 0.668 5.238 4.556 0.023 0.000 0.351 135 H C 0.666 175.998 175.328 0.006 0.000 1.151 135 H CA 0.940 57.067 56.048 0.132 0.000 1.339 135 H CB 1.790 31.630 29.762 0.129 0.000 1.483 135 H HN 1.146 nan 8.280 nan 0.000 0.558 136 G N 0.758 109.658 108.800 0.167 0.000 2.510 136 G HA2 0.352 4.326 3.960 0.024 0.000 0.277 136 G HA3 0.352 4.326 3.960 0.024 0.000 0.277 136 G C -2.008 173.031 174.900 0.232 0.000 1.223 136 G CA -0.600 44.565 45.100 0.109 0.000 0.887 136 G HN 0.637 nan 8.290 nan 0.000 0.485 137 Y N -1.732 118.606 120.300 0.063 0.000 2.581 137 Y HA 0.818 5.382 4.550 0.023 0.000 0.337 137 Y C -1.821 174.218 175.900 0.232 0.000 1.108 137 Y CA -1.925 56.258 58.100 0.138 0.000 1.033 137 Y CB 1.777 40.288 38.460 0.086 0.000 1.318 137 Y HN 0.833 nan 8.280 nan 0.000 0.459 138 F N 2.466 122.545 119.950 0.215 0.000 2.551 138 F HA 0.704 5.245 4.527 0.024 0.000 0.316 138 F C -1.224 174.756 175.800 0.300 0.000 1.089 138 F CA -0.564 57.566 58.000 0.217 0.000 0.915 138 F CB 2.318 41.579 39.000 0.434 0.000 1.186 138 F HN 0.802 nan 8.300 nan 0.000 0.456 139 Q N 6.864 126.110 119.800 -0.923 0.000 2.315 139 Q HA 0.485 4.839 4.340 0.024 0.000 0.273 139 Q C -2.909 172.429 176.000 -1.104 0.000 1.053 139 Q CA -2.449 52.956 55.803 -0.663 0.000 0.817 139 Q CB 3.218 31.846 28.738 -0.183 0.000 1.326 139 Q HN 0.372 nan 8.270 nan 0.000 0.423 140 P HA 0.073 nan 4.420 nan 0.000 0.281 140 P C -0.422 176.733 177.300 -0.241 0.000 1.249 140 P CA -0.009 62.827 63.100 -0.439 0.000 0.810 140 P CB 0.714 32.344 31.700 -0.117 0.000 1.008 141 Y N 0.927 121.161 120.300 -0.109 0.000 2.314 141 Y HA -0.079 4.485 4.550 0.024 0.000 0.293 141 Y C 1.546 177.417 175.900 -0.048 0.000 1.129 141 Y CA 0.574 58.634 58.100 -0.067 0.000 1.201 141 Y CB 0.163 38.592 38.460 -0.053 0.000 0.999 141 Y HN 0.380 nan 8.280 nan 0.000 0.541 142 K N -1.063 119.399 120.400 0.104 0.000 2.555 142 K HA 0.384 4.719 4.320 0.024 0.000 0.279 142 K C -0.971 175.635 176.600 0.010 0.000 0.986 142 K CA -0.934 55.383 56.287 0.050 0.000 0.880 142 K CB 1.551 34.081 32.500 0.049 0.000 1.474 142 K HN -0.251 nan 8.250 nan 0.000 0.433 143 S N 0.942 116.645 115.700 0.004 0.000 2.537 143 S HA 0.151 4.635 4.470 0.024 0.000 0.286 143 S C 0.477 175.067 174.600 -0.018 0.000 1.299 143 S CA -0.622 57.571 58.200 -0.011 0.000 1.067 143 S CB -0.173 63.023 63.200 -0.006 0.000 0.864 143 S HN 0.546 nan 8.310 nan 0.000 0.494 144 L N 4.803 126.004 121.223 -0.036 0.000 2.791 144 L HA 0.117 4.471 4.340 0.024 0.000 0.239 144 L C 2.075 178.928 176.870 -0.027 0.000 1.203 144 L CA 0.006 54.831 54.840 -0.025 0.000 1.002 144 L CB -0.370 41.677 42.059 -0.021 0.000 1.295 144 L HN 0.849 nan 8.230 nan 0.000 0.504 145 S N -1.437 114.245 115.700 -0.030 0.000 2.419 145 S HA -0.200 4.284 4.470 0.024 0.000 0.235 145 S C 1.265 175.849 174.600 -0.027 0.000 1.019 145 S CA 1.204 59.385 58.200 -0.031 0.000 0.982 145 S CB -0.192 62.995 63.200 -0.022 0.000 0.789 145 S HN 0.406 nan 8.310 nan 0.000 0.490 146 D N 1.944 122.333 120.400 -0.018 0.000 2.264 146 D HA 0.019 4.673 4.640 0.024 0.000 0.208 146 D C 1.744 178.029 176.300 -0.025 0.000 0.966 146 D CA 1.314 55.303 54.000 -0.018 0.000 0.864 146 D CB -0.191 40.603 40.800 -0.009 0.000 0.933 146 D HN 0.819 nan 8.370 nan 0.000 0.499 147 I N -4.374 116.181 120.570 -0.024 0.000 4.403 147 I HA 0.238 4.422 4.170 0.024 0.000 0.331 147 I C 0.299 176.376 176.117 -0.066 0.000 1.327 147 I CA -0.082 61.196 61.300 -0.037 0.000 1.175 147 I CB 1.268 39.266 38.000 -0.003 0.000 1.165 147 I HN -0.263 nan 8.210 nan 0.000 0.413 148 T N 1.738 116.254 114.554 -0.063 0.000 3.041 148 T HA 0.295 4.660 4.350 0.024 0.000 0.321 148 T C -0.011 174.635 174.700 -0.090 0.000 1.184 148 T CA -0.663 61.380 62.100 -0.095 0.000 1.050 148 T CB 1.694 70.495 68.868 -0.111 0.000 1.159 148 T HN 0.430 nan 8.240 nan 0.000 0.469 149 K N 2.689 123.035 120.400 -0.090 0.000 2.458 149 K HA 0.534 4.868 4.320 0.024 0.000 0.194 149 K C 0.796 177.356 176.600 -0.066 0.000 1.024 149 K CA -0.225 56.022 56.287 -0.068 0.000 1.108 149 K CB 0.180 32.647 32.500 -0.055 0.000 0.846 149 K HN 0.504 nan 8.250 nan 0.000 0.518 150 A N 2.284 125.040 122.820 -0.107 0.000 2.545 150 A HA -0.077 4.257 4.320 0.024 0.000 0.253 150 A C 0.589 178.127 177.584 -0.077 0.000 1.074 150 A CA 0.175 52.152 52.037 -0.100 0.000 0.760 150 A CB -0.005 18.854 19.000 -0.235 0.000 1.005 150 A HN 0.461 nan 8.150 nan 0.000 0.506 151 D N 2.362 122.791 120.400 0.048 0.000 2.144 151 D HA -0.231 4.423 4.640 0.024 0.000 0.199 151 D C 1.382 177.750 176.300 0.113 0.000 0.984 151 D CA 2.208 56.253 54.000 0.075 0.000 0.834 151 D CB -0.251 40.615 40.800 0.109 0.000 0.955 151 D HN 0.741 nan 8.370 nan 0.000 0.465 152 F N -0.506 119.459 119.950 0.025 0.000 2.408 152 F HA 0.083 4.625 4.527 0.024 0.000 0.300 152 F C 1.157 177.045 175.800 0.147 0.000 1.090 152 F CA 0.591 58.646 58.000 0.090 0.000 1.427 152 F CB -0.244 38.794 39.000 0.064 0.000 1.070 152 F HN -0.039 nan 8.300 nan 0.000 0.549 153 L N 0.782 121.725 121.223 -0.467 0.000 2.857 153 L HA 0.182 4.537 4.340 0.024 0.000 0.249 153 L C 1.904 178.686 176.870 -0.146 0.000 1.172 153 L CA 0.392 55.010 54.840 -0.371 0.000 0.980 153 L CB -0.094 41.627 42.059 -0.564 0.000 1.299 153 L HN 0.333 nan 8.230 nan 0.000 0.535 154 S N -2.330 113.326 115.700 -0.073 0.000 2.528 154 S HA 0.035 4.519 4.470 0.024 0.000 0.219 154 S C 0.375 174.971 174.600 -0.006 0.000 0.985 154 S CA -0.061 58.119 58.200 -0.034 0.000 0.914 154 S CB 0.157 63.350 63.200 -0.012 0.000 0.776 154 S HN 0.358 nan 8.310 nan 0.000 0.526 155 D N 0.583 120.988 120.400 0.008 0.000 2.804 155 D HA 0.277 4.932 4.640 0.024 0.000 0.209 155 D C -2.587 173.727 176.300 0.024 0.000 1.314 155 D CA -1.597 52.415 54.000 0.021 0.000 0.894 155 D CB 1.972 42.792 40.800 0.033 0.000 1.615 155 D HN -0.155 nan 8.370 nan 0.000 0.571 156 P HA -0.084 nan 4.420 nan 0.000 0.221 156 P C 0.533 177.848 177.300 0.024 0.000 1.145 156 P CA 0.737 63.847 63.100 0.016 0.000 0.795 156 P CB 0.437 32.157 31.700 0.034 0.000 0.775 157 N N -0.523 118.197 118.700 0.033 0.000 2.336 157 N HA 0.006 4.760 4.740 0.024 0.000 0.189 157 N C 0.635 176.177 175.510 0.053 0.000 1.113 157 N CA 0.233 53.306 53.050 0.038 0.000 0.858 157 N CB 0.033 38.539 38.487 0.031 0.000 0.970 157 N HN 0.262 nan 8.380 nan 0.000 0.471 158 K N 1.760 122.202 120.400 0.069 0.000 2.338 158 K HA 0.170 4.504 4.320 0.024 0.000 0.290 158 K C -0.466 176.228 176.600 0.156 0.000 1.069 158 K CA -0.136 56.217 56.287 0.110 0.000 0.941 158 K CB 0.432 33.010 32.500 0.130 0.000 1.023 158 K HN -0.105 nan 8.250 nan 0.000 0.477 159 I N 3.663 124.328 120.570 0.158 0.000 2.359 159 I HA 0.165 4.349 4.170 0.024 0.000 0.294 159 I C 0.130 176.422 176.117 0.292 0.000 0.987 159 I CA -0.418 61.012 61.300 0.217 0.000 1.225 159 I CB 1.619 39.696 38.000 0.129 0.000 1.366 159 I HN 0.517 nan 8.210 nan 0.000 0.466 160 T N 7.582 122.397 114.554 0.435 0.000 2.786 160 T HA 0.377 4.741 4.350 0.024 0.000 0.283 160 T C -2.471 172.494 174.700 0.441 0.000 0.992 160 T CA -1.338 61.039 62.100 0.461 0.000 0.954 160 T CB 1.774 71.019 68.868 0.628 0.000 0.934 160 T HN 0.281 nan 8.240 nan 0.000 0.440 161 P HA 0.265 nan 4.420 nan 0.000 0.269 161 P C -0.632 176.913 177.300 0.407 0.000 1.209 161 P CA -0.436 62.870 63.100 0.343 0.000 0.776 161 P CB 0.555 32.391 31.700 0.227 0.000 0.876 162 V N -0.075 120.020 119.914 0.301 0.000 3.040 162 V HA 0.740 4.874 4.120 0.024 0.000 0.312 162 V C -1.340 174.916 176.094 0.270 0.000 1.115 162 V CA -0.945 61.431 62.300 0.127 0.000 0.998 162 V CB 2.214 33.889 31.823 -0.247 0.000 1.042 162 V HN 0.313 nan 8.190 nan 0.000 0.433 163 F N 2.099 122.033 119.950 -0.027 0.000 2.539 163 F HA 0.841 5.382 4.527 0.024 0.000 0.318 163 F C -0.845 174.851 175.800 -0.173 0.000 1.135 163 F CA -0.825 57.102 58.000 -0.123 0.000 0.915 163 F CB 2.013 40.973 39.000 -0.067 0.000 1.176 163 F HN 0.524 nan 8.300 nan 0.000 0.440 164 V N 6.605 126.050 119.914 -0.781 0.000 2.495 164 V HA 0.567 4.701 4.120 0.024 0.000 0.298 164 V C -0.634 174.789 176.094 -1.120 0.000 1.031 164 V CA -0.837 60.932 62.300 -0.886 0.000 0.871 164 V CB 1.887 33.133 31.823 -0.962 0.000 0.988 164 V HN 0.739 nan 8.190 nan 0.000 0.432 165 R N 3.676 123.528 120.500 -1.079 0.000 2.437 165 R HA 0.640 4.994 4.340 0.024 0.000 0.310 165 R C -1.614 174.060 176.300 -1.043 0.000 0.955 165 R CA -0.425 55.129 56.100 -0.909 0.000 0.851 165 R CB 1.173 31.142 30.300 -0.552 0.000 1.161 165 R HN 0.539 nan 8.270 nan 0.000 0.446 166 F N 1.867 121.396 119.950 -0.702 0.000 2.432 166 F HA 0.532 5.073 4.527 0.024 0.000 0.329 166 F C 0.393 175.829 175.800 -0.607 0.000 1.076 166 F CA -0.261 57.200 58.000 -0.898 0.000 1.018 166 F CB 2.185 40.130 39.000 -1.757 0.000 1.201 166 F HN 0.616 nan 8.300 nan 0.000 0.489 167 S N -1.152 114.468 115.700 -0.133 0.000 2.615 167 S HA 0.636 5.120 4.470 0.024 0.000 0.269 167 S C -0.572 174.169 174.600 0.235 0.000 1.161 167 S CA -0.922 57.348 58.200 0.117 0.000 0.817 167 S CB 1.365 64.688 63.200 0.205 0.000 1.131 167 S HN 0.724 nan 8.310 nan 0.000 0.467 168 T N -1.483 113.210 114.554 0.231 0.000 2.865 168 T HA 0.670 5.035 4.350 0.024 0.000 0.302 168 T C 0.819 175.491 174.700 -0.047 0.000 1.078 168 T CA -0.110 62.084 62.100 0.157 0.000 0.942 168 T CB 0.255 69.218 68.868 0.159 0.000 1.387 168 T HN 0.596 nan 8.240 nan 0.000 0.557 169 V N -0.153 119.693 119.914 -0.114 0.000 2.948 169 V HA 0.133 4.267 4.120 0.024 0.000 0.234 169 V C 2.733 178.751 176.094 -0.126 0.000 1.205 169 V CA 0.322 62.422 62.300 -0.332 0.000 1.234 169 V CB -0.328 31.386 31.823 -0.181 0.000 1.020 169 V HN 0.861 nan 8.190 nan 0.000 0.491 170 Q N 1.017 120.783 119.800 -0.056 0.000 2.123 170 Q HA 0.086 4.440 4.340 0.024 0.000 0.196 170 Q C 1.234 177.213 176.000 -0.035 0.000 0.958 170 Q CA 1.314 57.083 55.803 -0.057 0.000 0.841 170 Q CB -0.030 28.663 28.738 -0.076 0.000 0.915 170 Q HN 0.589 nan 8.270 nan 0.000 0.455 171 G N -0.250 108.544 108.800 -0.010 0.000 2.537 171 G HA2 0.433 4.407 3.960 0.024 0.000 0.273 171 G HA3 0.433 4.407 3.960 0.024 0.000 0.273 171 G C 0.084 174.993 174.900 0.014 0.000 1.189 171 G CA 0.020 45.118 45.100 -0.004 0.000 0.881 171 G HN 0.317 nan 8.290 nan 0.000 0.535 172 G N -1.175 107.629 108.800 0.007 0.000 2.683 172 G HA2 0.459 4.433 3.960 0.024 0.000 0.260 172 G HA3 0.459 4.433 3.960 0.024 0.000 0.260 172 G C 1.350 176.281 174.900 0.052 0.000 1.238 172 G CA 0.459 45.574 45.100 0.024 0.000 0.934 172 G HN 1.078 nan 8.290 nan 0.000 0.534 173 A N -0.690 122.171 122.820 0.068 0.000 2.070 173 A HA 0.139 4.473 4.320 0.024 0.000 0.220 173 A C 2.166 179.791 177.584 0.067 0.000 1.159 173 A CA 1.931 54.028 52.037 0.101 0.000 0.656 173 A CB -0.312 18.764 19.000 0.127 0.000 0.800 173 A HN 1.156 nan 8.150 nan 0.000 0.453 174 G N -0.118 108.702 108.800 0.033 0.000 3.523 174 G HA2 0.356 4.331 3.960 0.024 0.000 0.270 174 G HA3 0.356 4.331 3.960 0.024 0.000 0.270 174 G C 0.624 175.526 174.900 0.002 0.000 1.134 174 G CA 0.630 45.734 45.100 0.006 0.000 0.825 174 G HN 0.633 nan 8.290 nan 0.000 0.534 175 S N -0.226 115.485 115.700 0.018 0.000 2.661 175 S HA 0.757 5.242 4.470 0.024 0.000 0.265 175 S C 0.451 175.065 174.600 0.024 0.000 1.225 175 S CA -0.073 58.134 58.200 0.012 0.000 0.986 175 S CB 1.603 64.812 63.200 0.015 0.000 1.008 175 S HN 0.573 nan 8.310 nan 0.000 0.565 176 A N -0.045 122.785 122.820 0.017 0.000 2.279 176 A HA 0.496 4.830 4.320 0.024 0.000 0.303 176 A C 0.504 178.110 177.584 0.036 0.000 1.108 176 A CA -0.634 51.410 52.037 0.011 0.000 0.830 176 A CB 0.113 19.101 19.000 -0.019 0.000 1.106 176 A HN 0.850 nan 8.150 nan 0.000 0.493 177 D N 0.330 120.740 120.400 0.016 0.000 2.162 177 D HA -0.049 4.605 4.640 0.024 0.000 0.205 177 D C 1.566 177.848 176.300 -0.029 0.000 0.964 177 D CA 2.211 56.234 54.000 0.039 0.000 0.847 177 D CB -0.136 40.640 40.800 -0.040 0.000 0.988 177 D HN 0.664 nan 8.370 nan 0.000 0.480 178 T N -0.093 114.364 114.554 -0.161 0.000 3.327 178 T HA 0.294 4.658 4.350 0.024 0.000 0.241 178 T C 0.795 175.488 174.700 -0.011 0.000 0.907 178 T CA -0.575 61.427 62.100 -0.163 0.000 0.931 178 T CB -0.932 67.759 68.868 -0.295 0.000 1.112 178 T HN -0.095 nan 8.240 nan 0.000 0.589 179 V N -1.354 118.604 119.914 0.073 0.000 3.264 179 V HA 0.479 4.613 4.120 0.024 0.000 0.304 179 V C 0.681 176.922 176.094 0.244 0.000 1.086 179 V CA -1.488 60.904 62.300 0.153 0.000 1.090 179 V CB 0.499 32.399 31.823 0.127 0.000 1.112 179 V HN 0.516 nan 8.190 nan 0.000 0.472 180 R N 1.541 122.239 120.500 0.331 0.000 2.210 180 R HA 0.464 4.818 4.340 0.024 0.000 0.338 180 R C -1.000 175.382 176.300 0.138 0.000 1.062 180 R CA -0.030 56.215 56.100 0.241 0.000 0.902 180 R CB 0.002 30.375 30.300 0.121 0.000 1.050 180 R HN 1.051 nan 8.270 nan 0.000 0.461 181 D N 3.269 123.763 120.400 0.157 0.000 2.710 181 D HA 0.181 4.835 4.640 0.024 0.000 0.276 181 D C -0.547 175.870 176.300 0.194 0.000 1.267 181 D CA -0.619 53.463 54.000 0.137 0.000 0.772 181 D CB 1.220 42.092 40.800 0.120 0.000 1.299 181 D HN 0.196 nan 8.370 nan 0.000 0.421 182 I N 1.309 122.014 120.570 0.225 0.000 2.938 182 I HA 0.205 4.390 4.170 0.024 0.000 0.285 182 I C 0.885 177.145 176.117 0.238 0.000 1.182 182 I CA -0.012 61.433 61.300 0.242 0.000 1.388 182 I CB -0.002 38.175 38.000 0.296 0.000 1.390 182 I HN 0.240 nan 8.210 nan 0.000 0.600 183 R N 2.682 123.343 120.500 0.269 0.000 2.589 183 R HA 0.534 4.888 4.340 0.024 0.000 0.293 183 R C -0.055 176.434 176.300 0.315 0.000 0.963 183 R CA -0.769 55.506 56.100 0.291 0.000 0.905 183 R CB 1.394 31.888 30.300 0.323 0.000 1.144 183 R HN 0.800 nan 8.270 nan 0.000 0.459 184 G N 1.212 110.214 108.800 0.337 0.000 2.415 184 G HA2 0.424 4.398 3.960 0.024 0.000 0.269 184 G HA3 0.424 4.398 3.960 0.024 0.000 0.269 184 G C -1.213 173.755 174.900 0.113 0.000 1.209 184 G CA -0.046 45.216 45.100 0.270 0.000 0.835 184 G HN 0.359 nan 8.290 nan 0.000 0.534 185 F N 2.356 122.203 119.950 -0.171 0.000 2.771 185 F HA 0.649 5.190 4.527 0.023 0.000 0.365 185 F C -0.168 175.316 175.800 -0.528 0.000 1.169 185 F CA -1.860 55.927 58.000 -0.354 0.000 1.093 185 F CB 1.113 40.021 39.000 -0.154 0.000 1.363 185 F HN 0.658 nan 8.300 nan 0.000 0.496 186 A N 3.382 125.918 122.820 -0.475 0.000 2.318 186 A HA 0.808 5.142 4.320 0.024 0.000 0.324 186 A C -0.694 176.426 177.584 -0.772 0.000 1.170 186 A CA -0.468 51.119 52.037 -0.750 0.000 0.810 186 A CB 0.923 19.092 19.000 -1.385 0.000 1.198 186 A HN 0.549 nan 8.150 nan 0.000 0.484 187 T N 2.184 116.438 114.554 -0.500 0.000 2.840 187 T HA 0.370 4.734 4.350 0.024 0.000 0.287 187 T C -0.418 174.069 174.700 -0.355 0.000 0.991 187 T CA -0.483 61.328 62.100 -0.481 0.000 0.964 187 T CB 1.089 69.589 68.868 -0.613 0.000 0.954 187 T HN 0.629 nan 8.240 nan 0.000 0.438 188 K N 3.582 123.868 120.400 -0.191 0.000 2.264 188 K HA 0.431 4.765 4.320 0.024 0.000 0.277 188 K C -1.230 175.044 176.600 -0.545 0.000 1.067 188 K CA -0.562 55.534 56.287 -0.318 0.000 0.900 188 K CB 0.239 32.508 32.500 -0.385 0.000 1.124 188 K HN 0.405 nan 8.250 nan 0.000 0.469 189 F N 4.199 123.850 119.950 -0.499 0.000 2.391 189 F HA 0.222 4.763 4.527 0.024 0.000 0.359 189 F C -0.349 175.237 175.800 -0.357 0.000 1.122 189 F CA -0.587 57.184 58.000 -0.382 0.000 1.120 189 F CB 0.690 39.378 39.000 -0.520 0.000 1.142 189 F HN 0.449 nan 8.300 nan 0.000 0.483 190 Y N 1.953 122.318 120.300 0.108 0.000 2.714 190 Y HA 0.190 4.754 4.550 0.023 0.000 0.333 190 Y C 1.046 177.005 175.900 0.100 0.000 1.220 190 Y CA -0.807 57.335 58.100 0.069 0.000 1.513 190 Y CB -0.183 38.307 38.460 0.051 0.000 1.435 190 Y HN 0.532 nan 8.280 nan 0.000 0.489 191 T N -2.338 112.310 114.554 0.156 0.000 2.849 191 T HA 0.148 4.512 4.350 0.024 0.000 0.284 191 T C 1.038 175.831 174.700 0.155 0.000 1.004 191 T CA -0.652 61.546 62.100 0.164 0.000 1.021 191 T CB 1.059 69.996 68.868 0.115 0.000 1.013 191 T HN 0.651 nan 8.240 nan 0.000 0.527 192 E N 0.171 120.466 120.200 0.159 0.000 2.418 192 E HA -0.049 4.315 4.350 0.024 0.000 0.197 192 E C 1.140 177.805 176.600 0.110 0.000 1.026 192 E CA 0.733 57.209 56.400 0.127 0.000 0.862 192 E CB 0.131 29.902 29.700 0.118 0.000 0.799 192 E HN 0.740 nan 8.360 nan 0.000 0.518 193 E N 0.134 120.401 120.200 0.112 0.000 2.558 193 E HA 0.249 4.613 4.350 0.024 0.000 0.205 193 E C 0.179 176.828 176.600 0.081 0.000 1.006 193 E CA -0.195 56.263 56.400 0.097 0.000 0.961 193 E CB 1.264 31.024 29.700 0.100 0.000 1.044 193 E HN 0.177 nan 8.360 nan 0.000 0.465 194 G N 1.113 109.956 108.800 0.072 0.000 2.357 194 G HA2 -0.100 3.874 3.960 0.024 0.000 0.643 194 G HA3 -0.100 3.874 3.960 0.024 0.000 0.643 194 G C -0.964 173.945 174.900 0.014 0.000 1.358 194 G CA -1.116 44.004 45.100 0.033 0.000 0.986 194 G HN 0.008 nan 8.290 nan 0.000 0.620 195 I N 0.645 121.188 120.570 -0.046 0.000 2.556 195 I HA 0.384 4.569 4.170 0.024 0.000 0.284 195 I C 0.093 176.215 176.117 0.008 0.000 1.114 195 I CA -0.006 61.238 61.300 -0.094 0.000 1.418 195 I CB 0.734 38.613 38.000 -0.202 0.000 1.394 195 I HN 0.466 nan 8.210 nan 0.000 0.552 196 F N 6.705 126.544 119.950 -0.185 0.000 2.449 196 F HA 0.445 4.987 4.527 0.024 0.000 0.342 196 F C -0.573 175.180 175.800 -0.079 0.000 1.127 196 F CA -1.149 56.736 58.000 -0.191 0.000 0.975 196 F CB 0.791 39.512 39.000 -0.465 0.000 1.146 196 F HN 0.346 nan 8.300 nan 0.000 0.444 197 D N 6.833 126.979 120.400 -0.422 0.000 2.303 197 D HA 0.280 4.935 4.640 0.024 0.000 0.236 197 D C -0.804 174.984 176.300 -0.854 0.000 1.068 197 D CA -0.002 53.718 54.000 -0.466 0.000 0.830 197 D CB 2.384 43.130 40.800 -0.091 0.000 1.109 197 D HN 0.633 nan 8.370 nan 0.000 0.496 198 L N 3.077 123.784 121.223 -0.860 0.000 2.277 198 L HA 0.321 4.675 4.340 0.024 0.000 0.284 198 L C -1.045 175.583 176.870 -0.403 0.000 1.028 198 L CA -0.631 53.776 54.840 -0.722 0.000 0.835 198 L CB 0.883 42.549 42.059 -0.654 0.000 1.215 198 L HN 0.054 nan 8.230 nan 0.000 0.425 199 V N 5.387 125.107 119.914 -0.324 0.000 2.257 199 V HA 0.562 4.696 4.120 0.024 0.000 0.269 199 V C 0.683 176.662 176.094 -0.192 0.000 1.040 199 V CA -0.297 61.823 62.300 -0.299 0.000 0.813 199 V CB 0.715 32.322 31.823 -0.360 0.000 1.065 199 V HN 0.830 nan 8.190 nan 0.000 0.457 200 G N 3.334 112.036 108.800 -0.163 0.000 2.735 200 G HA2 0.677 4.651 3.960 0.024 0.000 0.301 200 G HA3 0.677 4.651 3.960 0.024 0.000 0.301 200 G C -0.970 173.944 174.900 0.024 0.000 1.279 200 G CA -0.605 44.459 45.100 -0.060 0.000 1.019 200 G HN 0.476 nan 8.290 nan 0.000 0.497 201 N N -0.967 117.795 118.700 0.103 0.000 2.701 201 N HA 0.257 5.011 4.740 0.024 0.000 0.290 201 N C 0.345 176.038 175.510 0.303 0.000 1.338 201 N CA -0.778 52.394 53.050 0.202 0.000 0.799 201 N CB 1.413 40.001 38.487 0.168 0.000 1.491 201 N HN 0.533 nan 8.380 nan 0.000 0.540 202 N N -1.343 117.555 118.700 0.330 0.000 2.314 202 N HA -0.002 4.752 4.740 0.024 0.000 0.200 202 N C -0.465 175.316 175.510 0.452 0.000 1.135 202 N CA -0.092 53.212 53.050 0.422 0.000 0.835 202 N CB -0.174 38.535 38.487 0.371 0.000 0.989 202 N HN 0.555 nan 8.380 nan 0.000 0.478 203 T N -3.799 110.847 114.554 0.153 0.000 2.906 203 T HA 0.475 4.840 4.350 0.024 0.000 0.295 203 T C -2.731 171.372 174.700 -0.996 0.000 1.075 203 T CA -1.542 60.208 62.100 -0.584 0.000 1.005 203 T CB 2.922 71.347 68.868 -0.739 0.000 1.136 203 T HN -0.229 nan 8.240 nan 0.000 0.498 204 P HA 0.256 nan 4.420 nan 0.000 0.257 204 P C 0.242 177.032 177.300 -0.849 0.000 1.281 204 P CA -0.044 62.197 63.100 -1.431 0.000 0.826 204 P CB -0.102 30.652 31.700 -1.577 0.000 1.237 205 I N -4.410 115.641 120.570 -0.866 0.000 3.279 205 I HA 0.562 4.747 4.170 0.024 0.000 0.315 205 I C -1.572 174.278 176.117 -0.446 0.000 1.187 205 I CA -1.907 59.021 61.300 -0.621 0.000 0.953 205 I CB 1.560 39.138 38.000 -0.703 0.000 1.279 205 I HN -0.228 nan 8.210 nan 0.000 0.465 206 F N 0.261 119.917 119.950 -0.490 0.000 2.639 206 F HA 0.521 5.062 4.527 0.024 0.000 0.339 206 F C 0.256 175.796 175.800 -0.433 0.000 1.071 206 F CA -0.769 56.975 58.000 -0.427 0.000 0.994 206 F CB 2.022 40.903 39.000 -0.198 0.000 1.341 206 F HN 0.386 nan 8.300 nan 0.000 0.498 207 F N 2.124 121.222 119.950 -1.420 0.000 2.259 207 F HA 0.045 4.586 4.527 0.024 0.000 0.298 207 F C 0.683 176.154 175.800 -0.548 0.000 1.088 207 F CA 0.866 58.247 58.000 -1.033 0.000 1.358 207 F CB -0.082 37.884 39.000 -1.724 0.000 1.040 207 F HN 0.143 nan 8.300 nan 0.000 0.505 208 I N -3.423 117.080 120.570 -0.113 0.000 3.002 208 I HA 0.374 4.559 4.170 0.024 0.000 0.310 208 I C 0.357 176.609 176.117 0.224 0.000 1.087 208 I CA -0.837 60.533 61.300 0.118 0.000 1.017 208 I CB 1.904 40.048 38.000 0.240 0.000 1.226 208 I HN -0.175 nan 8.210 nan 0.000 0.443 209 Q N 0.250 120.183 119.800 0.223 0.000 2.324 209 Q HA 0.151 4.505 4.340 0.024 0.000 0.207 209 Q C -0.331 175.845 176.000 0.293 0.000 0.928 209 Q CA 0.628 56.603 55.803 0.287 0.000 0.890 209 Q CB 0.521 29.500 28.738 0.401 0.000 1.001 209 Q HN 0.633 nan 8.270 nan 0.000 0.517 210 D N -1.057 119.491 120.400 0.246 0.000 2.502 210 D HA 0.301 4.955 4.640 0.024 0.000 0.249 210 D C -0.001 176.432 176.300 0.223 0.000 1.092 210 D CA -0.194 53.923 54.000 0.195 0.000 0.839 210 D CB 1.839 42.728 40.800 0.150 0.000 1.264 210 D HN 0.059 nan 8.370 nan 0.000 0.511 211 A N 3.490 126.414 122.820 0.173 0.000 2.024 211 A HA -0.250 4.084 4.320 0.024 0.000 0.220 211 A C 1.795 179.509 177.584 0.217 0.000 1.164 211 A CA 1.698 53.835 52.037 0.167 0.000 0.643 211 A CB -0.750 18.288 19.000 0.063 0.000 0.806 211 A HN 0.816 nan 8.150 nan 0.000 0.451 212 H N 0.161 119.295 119.070 0.106 0.000 2.460 212 H HA -0.056 4.514 4.556 0.024 0.000 0.297 212 H C 1.597 177.007 175.328 0.137 0.000 1.103 212 H CA 1.979 58.083 56.048 0.092 0.000 1.292 212 H CB 0.009 29.800 29.762 0.049 0.000 1.376 212 H HN 0.435 nan 8.280 nan 0.000 0.531 213 K N -0.682 119.840 120.400 0.204 0.000 2.487 213 K HA -0.052 4.282 4.320 0.024 0.000 0.192 213 K C 1.461 178.201 176.600 0.233 0.000 1.027 213 K CA 0.136 56.543 56.287 0.200 0.000 1.054 213 K CB 0.019 32.690 32.500 0.285 0.000 0.824 213 K HN 0.309 nan 8.250 nan 0.000 0.510 214 F N 2.721 122.730 119.950 0.097 0.000 2.134 214 F HA -0.103 4.438 4.527 0.023 0.000 0.299 214 F C -1.036 174.787 175.800 0.038 0.000 1.097 214 F CA 1.064 59.157 58.000 0.154 0.000 1.264 214 F CB -0.406 38.672 39.000 0.131 0.000 1.001 214 F HN 0.005 nan 8.300 nan 0.000 0.479 215 P HA -0.147 nan 4.420 nan 0.000 0.218 215 P C 0.974 177.958 177.300 -0.526 0.000 1.148 215 P CA 1.733 64.590 63.100 -0.405 0.000 0.822 215 P CB -0.065 31.407 31.700 -0.380 0.000 0.784 216 D N -1.258 118.973 120.400 -0.281 0.000 2.084 216 D HA -0.157 4.497 4.640 0.024 0.000 0.196 216 D C 1.827 177.834 176.300 -0.487 0.000 0.985 216 D CA 1.031 54.902 54.000 -0.216 0.000 0.826 216 D CB -0.882 39.967 40.800 0.082 0.000 0.978 216 D HN 0.147 nan 8.370 nan 0.000 0.456 217 F N 1.998 121.546 119.950 -0.671 0.000 2.069 217 F HA -0.252 4.289 4.527 0.024 0.000 0.298 217 F C 2.302 177.716 175.800 -0.643 0.000 1.113 217 F CA 1.287 58.708 58.000 -0.965 0.000 1.214 217 F CB -0.251 38.406 39.000 -0.572 0.000 0.978 217 F HN -0.245 nan 8.300 nan 0.000 0.474 218 V N 0.222 119.717 119.914 -0.698 0.000 2.343 218 V HA -0.335 3.799 4.120 0.024 0.000 0.247 218 V C 2.283 178.142 176.094 -0.390 0.000 1.051 218 V CA 2.406 64.322 62.300 -0.639 0.000 1.036 218 V CB -1.078 30.396 31.823 -0.582 0.000 0.654 218 V HN 0.483 nan 8.190 nan 0.000 0.451 219 H N -0.178 118.649 119.070 -0.405 0.000 2.387 219 H HA -0.141 4.429 4.556 0.023 0.000 0.299 219 H C 2.341 177.508 175.328 -0.268 0.000 1.099 219 H CA 1.071 56.963 56.048 -0.261 0.000 1.315 219 H CB 0.035 29.696 29.762 -0.168 0.000 1.380 219 H HN 0.489 nan 8.280 nan 0.000 0.513 220 A N 0.434 123.069 122.820 -0.310 0.000 1.933 220 A HA -0.118 4.216 4.320 0.024 0.000 0.218 220 A C 2.505 179.922 177.584 -0.278 0.000 1.175 220 A CA 1.465 53.314 52.037 -0.313 0.000 0.628 220 A CB -0.680 18.001 19.000 -0.532 0.000 0.814 220 A HN 0.310 nan 8.150 nan 0.000 0.444 221 V N -0.385 119.237 119.914 -0.487 0.000 2.649 221 V HA 0.018 4.152 4.120 0.024 0.000 0.248 221 V C 0.873 176.942 176.094 -0.043 0.000 1.054 221 V CA 0.716 62.823 62.300 -0.322 0.000 1.073 221 V CB -0.469 30.969 31.823 -0.643 0.000 0.699 221 V HN 0.325 nan 8.190 nan 0.000 0.463 222 K N 1.135 121.464 120.400 -0.118 0.000 2.234 222 K HA 0.190 4.524 4.320 0.024 0.000 0.251 222 K C -2.296 174.259 176.600 -0.076 0.000 1.011 222 K CA -1.499 54.734 56.287 -0.091 0.000 0.889 222 K CB -0.346 32.090 32.500 -0.106 0.000 1.011 222 K HN 0.193 nan 8.250 nan 0.000 0.505 223 P HA 0.009 nan 4.420 nan 0.000 0.266 223 P C -0.501 176.742 177.300 -0.096 0.000 1.195 223 P CA 0.308 63.274 63.100 -0.223 0.000 0.768 223 P CB 0.379 31.954 31.700 -0.208 0.000 0.838 224 E N 4.814 125.003 120.200 -0.019 0.000 2.398 224 E HA -0.002 4.362 4.350 0.024 0.000 0.263 224 E C -1.292 175.402 176.600 0.156 0.000 1.046 224 E CA -1.257 55.247 56.400 0.173 0.000 0.908 224 E CB 0.220 30.159 29.700 0.398 0.000 0.963 224 E HN 0.431 nan 8.360 nan 0.000 0.431 225 P HA -0.151 nan 4.420 nan 0.000 0.231 225 P C 0.869 178.256 177.300 0.146 0.000 1.168 225 P CA 1.080 64.231 63.100 0.086 0.000 0.779 225 P CB 0.144 31.859 31.700 0.025 0.000 0.844 226 H N -0.307 118.807 119.070 0.073 0.000 2.326 226 H HA -0.091 4.479 4.556 0.024 0.000 0.301 226 H C 1.509 176.946 175.328 0.181 0.000 1.081 226 H CA 1.466 57.547 56.048 0.056 0.000 1.334 226 H CB -1.436 28.290 29.762 -0.060 0.000 1.385 226 H HN 0.305 nan 8.280 nan 0.000 0.504 227 W N 0.173 121.112 121.300 -0.601 0.000 2.870 227 W HA 0.691 5.365 4.660 0.023 0.000 0.358 227 W C 0.430 176.780 176.519 -0.282 0.000 1.043 227 W CA -0.997 56.102 57.345 -0.410 0.000 1.692 227 W CB -0.718 28.464 29.460 -0.463 0.000 1.100 227 W HN 0.451 nan 8.180 nan 0.000 0.557 228 A N 1.354 124.144 122.820 -0.049 0.000 2.667 228 A HA -0.119 4.215 4.320 0.024 0.000 0.298 228 A C -0.467 176.867 177.584 -0.417 0.000 1.483 228 A CA 1.434 53.361 52.037 -0.183 0.000 0.738 228 A CB -2.395 16.530 19.000 -0.126 0.000 1.067 228 A HN 0.480 nan 8.150 nan 0.000 0.451 229 I N 0.556 120.744 120.570 -0.637 0.000 2.802 229 I HA 0.541 4.725 4.170 0.024 0.000 0.298 229 I C -2.528 173.284 176.117 -0.508 0.000 1.176 229 I CA -2.312 58.525 61.300 -0.772 0.000 1.025 229 I CB 3.088 40.109 38.000 -1.633 0.000 1.243 229 I HN 0.230 nan 8.210 nan 0.000 0.424 230 P HA 0.306 nan 4.420 nan 0.000 0.292 230 P C -1.599 175.541 177.300 -0.267 0.000 1.300 230 P CA -0.779 62.109 63.100 -0.354 0.000 0.900 230 P CB 1.729 33.299 31.700 -0.217 0.000 1.139 231 Q N 0.799 120.487 119.800 -0.187 0.000 2.267 231 Q HA 0.492 4.846 4.340 0.024 0.000 0.255 231 Q C 1.060 177.023 176.000 -0.061 0.000 0.923 231 Q CA 0.965 56.695 55.803 -0.122 0.000 0.925 231 Q CB -0.189 28.486 28.738 -0.104 0.000 1.195 231 Q HN 0.823 nan 8.270 nan 0.000 0.417 232 G N 3.205 111.979 108.800 -0.043 0.000 2.176 232 G HA2 -0.276 3.698 3.960 0.024 0.000 0.252 232 G HA3 -0.276 3.698 3.960 0.024 0.000 0.252 232 G C -0.482 174.433 174.900 0.026 0.000 1.024 232 G CA 0.472 45.572 45.100 0.001 0.000 0.755 232 G HN 0.541 nan 8.290 nan 0.000 0.507 233 Q N -0.967 118.834 119.800 0.002 0.000 2.284 233 Q HA 0.545 4.900 4.340 0.024 0.000 0.269 233 Q C 0.689 176.699 176.000 0.017 0.000 1.026 233 Q CA -0.127 55.703 55.803 0.045 0.000 0.831 233 Q CB 1.796 30.607 28.738 0.121 0.000 1.322 233 Q HN 0.471 nan 8.270 nan 0.000 0.419 234 S N -0.378 115.224 115.700 -0.164 0.000 2.575 234 S HA 0.193 4.677 4.470 0.024 0.000 0.215 234 S C 0.931 175.447 174.600 -0.141 0.000 0.966 234 S CA 0.023 57.880 58.200 -0.571 0.000 0.911 234 S CB 0.315 62.597 63.200 -1.530 0.000 0.780 234 S HN 0.607 nan 8.310 nan 0.000 0.514 235 A N 2.406 125.343 122.820 0.195 0.000 3.026 235 A HA 0.515 4.850 4.320 0.024 0.000 0.272 235 A C 0.114 177.931 177.584 0.389 0.000 1.782 235 A CA -0.517 51.727 52.037 0.346 0.000 1.451 235 A CB -1.296 17.841 19.000 0.228 0.000 1.081 235 A HN 0.905 nan 8.150 nan 0.000 0.611 236 H N -3.327 115.943 119.070 0.332 0.000 3.003 236 H HA 0.444 5.015 4.556 0.024 0.000 0.327 236 H C -0.210 175.314 175.328 0.327 0.000 1.353 236 H CA -0.690 55.512 56.048 0.257 0.000 1.142 236 H CB 0.130 30.006 29.762 0.191 0.000 1.864 236 H HN 0.095 nan 8.280 nan 0.000 0.529 237 D N 0.307 120.881 120.400 0.290 0.000 2.126 237 D HA -0.236 4.418 4.640 0.024 0.000 0.190 237 D C 2.117 178.482 176.300 0.107 0.000 1.001 237 D CA 3.368 57.472 54.000 0.173 0.000 0.841 237 D CB -0.365 40.512 40.800 0.128 0.000 0.949 237 D HN 0.791 nan 8.370 nan 0.000 0.446 238 T N -1.740 112.872 114.554 0.096 0.000 2.867 238 T HA -0.190 4.174 4.350 0.024 0.000 0.268 238 T C 1.883 176.519 174.700 -0.107 0.000 1.057 238 T CA 0.686 62.806 62.100 0.032 0.000 1.136 238 T CB -0.680 68.255 68.868 0.111 0.000 0.874 238 T HN 0.173 nan 8.240 nan 0.000 0.466 239 F N 0.786 120.426 119.950 -0.517 0.000 2.075 239 F HA 0.076 4.617 4.527 0.023 0.000 0.297 239 F C 1.832 177.392 175.800 -0.399 0.000 1.113 239 F CA 0.754 58.386 58.000 -0.613 0.000 1.218 239 F CB -0.581 37.865 39.000 -0.924 0.000 0.984 239 F HN 0.147 nan 8.300 nan 0.000 0.472 240 W N 0.600 121.825 121.300 -0.125 0.000 2.467 240 W HA -0.063 4.611 4.660 0.024 0.000 0.275 240 W C 2.301 178.743 176.519 -0.128 0.000 1.239 240 W CA 1.008 58.276 57.345 -0.128 0.000 1.266 240 W CB -0.660 28.815 29.460 0.025 0.000 1.112 240 W HN 0.067 nan 8.180 nan 0.000 0.576 241 D N -0.413 120.037 120.400 0.082 0.000 2.087 241 D HA -0.314 4.340 4.640 0.024 0.000 0.192 241 D C 1.893 178.203 176.300 0.018 0.000 0.993 241 D CA 1.665 55.694 54.000 0.049 0.000 0.828 241 D CB -0.618 40.219 40.800 0.060 0.000 0.968 241 D HN 0.188 nan 8.370 nan 0.000 0.448 242 Y N 0.437 120.631 120.300 -0.176 0.000 2.128 242 Y HA -0.226 4.338 4.550 0.024 0.000 0.284 242 Y C 2.308 178.073 175.900 -0.225 0.000 1.154 242 Y CA 1.625 59.606 58.100 -0.199 0.000 1.149 242 Y CB -0.472 37.836 38.460 -0.254 0.000 0.976 242 Y HN -0.096 nan 8.280 nan 0.000 0.505 243 V N 0.154 119.956 119.914 -0.187 0.000 2.332 243 V HA -0.349 3.785 4.120 0.024 0.000 0.248 243 V C 2.582 178.624 176.094 -0.087 0.000 1.055 243 V CA 2.252 64.428 62.300 -0.206 0.000 1.038 243 V CB -1.189 30.399 31.823 -0.392 0.000 0.651 243 V HN 0.679 nan 8.190 nan 0.000 0.450 244 S N -0.504 115.186 115.700 -0.016 0.000 2.447 244 S HA -0.026 4.458 4.470 0.024 0.000 0.233 244 S C 1.655 176.230 174.600 -0.041 0.000 1.006 244 S CA 1.229 59.447 58.200 0.030 0.000 0.957 244 S CB -0.353 62.892 63.200 0.074 0.000 0.773 244 S HN 0.558 nan 8.310 nan 0.000 0.507 245 L N -0.002 121.148 121.223 -0.122 0.000 2.640 245 L HA 0.348 4.702 4.340 0.024 0.000 0.230 245 L C 0.417 177.118 176.870 -0.282 0.000 1.123 245 L CA 0.059 54.800 54.840 -0.165 0.000 0.900 245 L CB 0.147 42.110 42.059 -0.160 0.000 1.146 245 L HN 0.242 nan 8.230 nan 0.000 0.484 246 Q N 0.341 119.930 119.800 -0.352 0.000 3.244 246 Q HA 0.224 4.579 4.340 0.024 0.000 0.249 246 Q C -1.953 173.821 176.000 -0.377 0.000 0.951 246 Q CA -1.385 54.157 55.803 -0.436 0.000 0.740 246 Q CB 1.459 29.798 28.738 -0.665 0.000 1.334 246 Q HN -0.001 nan 8.270 nan 0.000 0.448 247 P HA -0.233 nan 4.420 nan 0.000 0.223 247 P C 1.018 178.011 177.300 -0.512 0.000 1.144 247 P CA 1.202 64.059 63.100 -0.405 0.000 0.783 247 P CB 0.233 31.690 31.700 -0.405 0.000 0.771 248 E N 0.638 120.380 120.200 -0.763 0.000 2.267 248 E HA -0.190 4.174 4.350 0.024 0.000 0.197 248 E C 1.491 178.014 176.600 -0.129 0.000 0.998 248 E CA 1.870 58.045 56.400 -0.374 0.000 0.830 248 E CB -1.347 28.204 29.700 -0.249 0.000 0.751 248 E HN 0.299 nan 8.360 nan 0.000 0.491 249 T N -0.637 113.850 114.554 -0.112 0.000 3.035 249 T HA -0.003 4.361 4.350 0.024 0.000 0.268 249 T C 1.916 176.670 174.700 0.091 0.000 1.109 249 T CA 0.489 62.597 62.100 0.014 0.000 1.119 249 T CB -0.302 68.601 68.868 0.058 0.000 0.900 249 T HN 0.156 nan 8.240 nan 0.000 0.503 250 L N -0.135 121.147 121.223 0.097 0.000 2.141 250 L HA -0.024 4.330 4.340 0.024 0.000 0.209 250 L C 2.843 179.877 176.870 0.274 0.000 1.094 250 L CA 1.554 56.528 54.840 0.224 0.000 0.763 250 L CB -0.702 41.502 42.059 0.242 0.000 0.908 250 L HN 0.472 nan 8.230 nan 0.000 0.437 251 H N 0.056 119.167 119.070 0.068 0.000 2.293 251 H HA -0.200 4.370 4.556 0.024 0.000 0.300 251 H C 2.142 177.463 175.328 -0.012 0.000 1.082 251 H CA 1.803 57.889 56.048 0.064 0.000 1.308 251 H CB 0.230 29.999 29.762 0.010 0.000 1.375 251 H HN 0.360 nan 8.280 nan 0.000 0.495 252 N N -0.143 118.342 118.700 -0.357 0.000 2.223 252 N HA -0.138 4.616 4.740 0.024 0.000 0.185 252 N C 1.959 177.274 175.510 -0.324 0.000 1.016 252 N CA 0.832 53.456 53.050 -0.710 0.000 0.863 252 N CB 0.247 37.861 38.487 -1.455 0.000 0.983 252 N HN 0.116 nan 8.380 nan 0.000 0.429 253 V N 1.721 121.672 119.914 0.062 0.000 2.332 253 V HA -0.275 3.859 4.120 0.024 0.000 0.248 253 V C 2.495 178.716 176.094 0.212 0.000 1.055 253 V CA 1.319 63.806 62.300 0.311 0.000 1.038 253 V CB -0.403 31.659 31.823 0.398 0.000 0.651 253 V HN 0.407 nan 8.190 nan 0.000 0.450 254 M N -1.539 118.226 119.600 0.275 0.000 2.082 254 M HA -0.234 4.261 4.480 0.024 0.000 0.258 254 M C 2.090 178.369 176.300 -0.036 0.000 1.069 254 M CA 1.994 57.453 55.300 0.264 0.000 1.102 254 M CB -1.280 31.512 32.600 0.320 0.000 1.336 254 M HN 0.472 nan 8.290 nan 0.000 0.404 255 W N 0.555 121.576 121.300 -0.464 0.000 2.335 255 W HA -0.118 4.556 4.660 0.024 0.000 0.311 255 W C 2.852 179.305 176.519 -0.109 0.000 1.213 255 W CA 1.954 59.015 57.345 -0.473 0.000 1.274 255 W CB -1.075 28.053 29.460 -0.553 0.000 1.148 255 W HN 0.300 nan 8.180 nan 0.000 0.498 256 A N -0.819 122.087 122.820 0.142 0.000 1.969 256 A HA -0.155 4.179 4.320 0.024 0.000 0.218 256 A C 1.919 179.558 177.584 0.092 0.000 1.169 256 A CA 1.539 53.665 52.037 0.149 0.000 0.635 256 A CB -0.557 18.563 19.000 0.200 0.000 0.810 256 A HN 0.101 nan 8.150 nan 0.000 0.445 257 M N 0.700 120.313 119.600 0.022 0.000 2.492 257 M HA 0.017 4.511 4.480 0.024 0.000 0.262 257 M C 1.442 177.795 176.300 0.088 0.000 1.090 257 M CA 0.765 56.022 55.300 -0.072 0.000 1.110 257 M CB -1.356 30.953 32.600 -0.485 0.000 1.407 257 M HN 0.541 nan 8.290 nan 0.000 0.470 258 S N 0.121 115.929 115.700 0.180 0.000 2.641 258 S HA 0.108 4.592 4.470 0.024 0.000 0.261 258 S C 0.697 175.434 174.600 0.228 0.000 1.257 258 S CA -0.482 57.865 58.200 0.245 0.000 0.983 258 S CB 0.964 64.353 63.200 0.314 0.000 0.990 258 S HN 0.171 nan 8.310 nan 0.000 0.572 259 D N 0.114 120.665 120.400 0.252 0.000 2.378 259 D HA 0.043 4.697 4.640 0.024 0.000 0.227 259 D C 1.819 178.266 176.300 0.246 0.000 1.012 259 D CA 0.260 54.431 54.000 0.284 0.000 0.905 259 D CB -0.149 40.885 40.800 0.389 0.000 0.895 259 D HN 0.374 nan 8.370 nan 0.000 0.532 260 R N 0.205 120.839 120.500 0.224 0.000 2.159 260 R HA -0.068 4.286 4.340 0.024 0.000 0.237 260 R C 2.043 178.503 176.300 0.266 0.000 1.131 260 R CA 1.026 57.283 56.100 0.260 0.000 0.982 260 R CB -0.801 29.706 30.300 0.344 0.000 0.868 260 R HN 0.187 nan 8.270 nan 0.000 0.453 261 G N 1.217 110.162 108.800 0.242 0.000 2.679 261 G HA2 -0.031 3.943 3.960 0.024 0.000 0.212 261 G HA3 -0.031 3.943 3.960 0.024 0.000 0.212 261 G C 1.046 176.092 174.900 0.245 0.000 1.137 261 G CA 0.127 45.363 45.100 0.227 0.000 0.787 261 G HN 0.428 nan 8.290 nan 0.000 0.534 262 I N -2.145 118.579 120.570 0.257 0.000 2.926 262 I HA 0.360 4.544 4.170 0.024 0.000 0.295 262 I C -2.852 173.422 176.117 0.262 0.000 1.463 262 I CA -2.606 58.853 61.300 0.265 0.000 0.892 262 I CB 1.738 39.900 38.000 0.270 0.000 1.874 262 I HN -0.263 nan 8.210 nan 0.000 0.620 263 P HA 0.066 nan 4.420 nan 0.000 0.269 263 P C 0.532 177.973 177.300 0.236 0.000 1.209 263 P CA -0.128 63.078 63.100 0.178 0.000 0.776 263 P CB 1.241 32.978 31.700 0.061 0.000 0.876 264 R N 1.930 122.551 120.500 0.203 0.000 2.115 264 R HA 0.016 4.371 4.340 0.024 0.000 0.230 264 R C 0.410 176.852 176.300 0.237 0.000 1.111 264 R CA 1.388 57.659 56.100 0.286 0.000 0.976 264 R CB -0.422 30.016 30.300 0.229 0.000 0.870 264 R HN 0.550 nan 8.270 nan 0.000 0.445 265 S N -2.670 112.961 115.700 -0.115 0.000 2.552 265 S HA 0.216 4.701 4.470 0.024 0.000 0.272 265 S C -0.379 173.902 174.600 -0.532 0.000 1.150 265 S CA -0.855 57.104 58.200 -0.402 0.000 0.849 265 S CB 0.127 63.228 63.200 -0.164 0.000 1.113 265 S HN 0.106 nan 8.310 nan 0.000 0.458 266 Y N 2.417 122.329 120.300 -0.647 0.000 2.403 266 Y HA 0.043 4.607 4.550 0.024 0.000 0.291 266 Y C 2.326 177.852 175.900 -0.624 0.000 1.143 266 Y CA 1.117 58.700 58.100 -0.862 0.000 1.257 266 Y CB -0.338 37.172 38.460 -1.583 0.000 0.984 266 Y HN 0.579 nan 8.280 nan 0.000 0.550 267 R N -0.509 119.847 120.500 -0.241 0.000 2.237 267 R HA -0.040 4.314 4.340 0.024 0.000 0.219 267 R C 1.031 177.290 176.300 -0.069 0.000 1.080 267 R CA 1.499 57.521 56.100 -0.130 0.000 0.995 267 R CB -0.426 29.791 30.300 -0.138 0.000 0.875 267 R HN 0.331 nan 8.270 nan 0.000 0.462 268 T N -1.830 112.698 114.554 -0.044 0.000 3.355 268 T HA 0.356 4.720 4.350 0.024 0.000 0.276 268 T C 0.144 174.883 174.700 0.065 0.000 1.003 268 T CA -0.704 61.402 62.100 0.010 0.000 0.943 268 T CB -0.067 68.794 68.868 -0.011 0.000 1.158 268 T HN 0.080 nan 8.240 nan 0.000 0.513 269 M N -1.102 118.576 119.600 0.130 0.000 2.572 269 M HA 0.724 5.218 4.480 0.024 0.000 0.299 269 M C -1.053 175.420 176.300 0.288 0.000 1.205 269 M CA -0.861 54.556 55.300 0.195 0.000 0.876 269 M CB 2.154 34.867 32.600 0.187 0.000 1.728 269 M HN -0.147 nan 8.290 nan 0.000 0.458 270 E N 0.594 120.962 120.200 0.281 0.000 2.374 270 E HA 0.580 4.944 4.350 0.024 0.000 0.260 270 E C -0.196 176.480 176.600 0.127 0.000 1.101 270 E CA -0.291 56.211 56.400 0.170 0.000 0.907 270 E CB 1.454 31.194 29.700 0.066 0.000 1.014 270 E HN 0.851 nan 8.360 nan 0.000 0.427 271 G N 1.017 109.756 108.800 -0.102 0.000 2.482 271 G HA2 0.620 4.594 3.960 0.024 0.000 0.317 271 G HA3 0.620 4.594 3.960 0.024 0.000 0.317 271 G C -1.410 173.091 174.900 -0.666 0.000 1.241 271 G CA -0.451 44.581 45.100 -0.115 0.000 0.967 271 G HN 0.291 nan 8.290 nan 0.000 0.482 272 F N -0.466 119.444 119.950 -0.066 0.000 2.601 272 F HA 0.520 5.061 4.527 0.023 0.000 0.309 272 F C 1.042 176.749 175.800 -0.155 0.000 1.089 272 F CA -0.623 57.245 58.000 -0.220 0.000 0.940 272 F CB 2.591 41.411 39.000 -0.301 0.000 1.273 272 F HN 0.584 nan 8.300 nan 0.000 0.450 273 G N -0.604 108.250 108.800 0.090 0.000 2.985 273 G HA2 0.202 4.176 3.960 0.024 0.000 0.209 273 G HA3 0.202 4.176 3.960 0.024 0.000 0.209 273 G C 0.691 175.667 174.900 0.126 0.000 1.165 273 G CA 0.632 45.837 45.100 0.174 0.000 0.776 273 G HN 0.993 nan 8.290 nan 0.000 0.541 274 C N -1.223 118.041 119.300 -0.061 0.000 5.885 274 C HA -0.168 4.306 4.460 0.024 0.000 0.328 274 C C 0.799 175.535 174.990 -0.422 0.000 2.430 274 C CA 0.750 59.563 59.018 -0.341 0.000 2.194 274 C CB -1.910 25.483 27.740 -0.578 0.000 3.233 274 C HN 0.595 nan 8.230 nan 0.000 0.263 275 H N 0.345 119.446 119.070 0.051 0.000 2.616 275 H HA 0.461 5.031 4.556 0.024 0.000 0.353 275 H C -0.071 175.229 175.328 -0.046 0.000 1.170 275 H CA 0.118 56.116 56.048 -0.084 0.000 1.212 275 H CB 0.752 30.328 29.762 -0.309 0.000 1.653 275 H HN 0.337 nan 8.280 nan 0.000 0.537 276 T N 3.158 117.714 114.554 0.003 0.000 2.817 276 T HA 0.156 4.520 4.350 0.024 0.000 0.295 276 T C 0.198 174.869 174.700 -0.048 0.000 0.958 276 T CA 0.383 62.469 62.100 -0.024 0.000 1.157 276 T CB -0.441 68.358 68.868 -0.115 0.000 0.898 276 T HN 0.218 nan 8.240 nan 0.000 0.536 277 F N 1.267 121.177 119.950 -0.067 0.000 2.629 277 F HA 0.642 5.183 4.527 0.023 0.000 0.386 277 F C 1.096 176.852 175.800 -0.073 0.000 1.135 277 F CA -1.384 56.606 58.000 -0.017 0.000 1.116 277 F CB 1.373 40.359 39.000 -0.024 0.000 1.426 277 F HN 0.193 nan 8.300 nan 0.000 0.501 278 R N 0.556 121.111 120.500 0.092 0.000 2.740 278 R HA 0.638 4.992 4.340 0.024 0.000 0.282 278 R C -1.541 174.643 176.300 -0.193 0.000 0.969 278 R CA -0.881 55.134 56.100 -0.141 0.000 0.918 278 R CB 1.887 32.035 30.300 -0.254 0.000 1.175 278 R HN 0.427 nan 8.270 nan 0.000 0.464 279 L N 3.291 124.351 121.223 -0.272 0.000 2.322 279 L HA 0.529 4.883 4.340 0.024 0.000 0.279 279 L C -0.437 176.275 176.870 -0.265 0.000 1.036 279 L CA -0.922 53.766 54.840 -0.253 0.000 0.807 279 L CB 1.246 43.158 42.059 -0.245 0.000 1.226 279 L HN 0.353 nan 8.230 nan 0.000 0.433 280 I N 2.530 122.969 120.570 -0.217 0.000 2.466 280 I HA 0.283 4.467 4.170 0.024 0.000 0.289 280 I C -0.260 175.770 176.117 -0.144 0.000 1.026 280 I CA -0.686 60.491 61.300 -0.205 0.000 1.078 280 I CB 1.467 39.355 38.000 -0.186 0.000 1.249 280 I HN 0.639 nan 8.210 nan 0.000 0.429 281 N N 4.881 123.509 118.700 -0.119 0.000 2.538 281 N HA 0.410 5.164 4.740 0.024 0.000 0.292 281 N C 0.808 176.279 175.510 -0.066 0.000 1.262 281 N CA -0.336 52.663 53.050 -0.084 0.000 0.976 281 N CB 0.507 38.952 38.487 -0.069 0.000 1.161 281 N HN 0.501 nan 8.380 nan 0.000 0.598 282 A N -0.683 122.107 122.820 -0.050 0.000 2.015 282 A HA -0.090 4.245 4.320 0.024 0.000 0.219 282 A C 1.477 179.042 177.584 -0.033 0.000 1.163 282 A CA 1.292 53.306 52.037 -0.039 0.000 0.646 282 A CB -0.730 18.252 19.000 -0.029 0.000 0.806 282 A HN 0.735 nan 8.150 nan 0.000 0.448 283 E N -1.446 118.736 120.200 -0.030 0.000 2.481 283 E HA 0.283 4.647 4.350 0.024 0.000 0.195 283 E C 1.213 177.804 176.600 -0.016 0.000 1.047 283 E CA 0.777 57.165 56.400 -0.021 0.000 0.867 283 E CB -0.043 29.645 29.700 -0.020 0.000 0.858 283 E HN 0.736 nan 8.360 nan 0.000 0.513 284 G N 1.135 109.922 108.800 -0.021 0.000 2.141 284 G HA2 -0.336 3.638 3.960 0.024 0.000 0.231 284 G HA3 -0.336 3.638 3.960 0.024 0.000 0.231 284 G C 0.228 175.148 174.900 0.033 0.000 0.984 284 G CA 0.180 45.287 45.100 0.011 0.000 0.660 284 G HN 0.254 nan 8.290 nan 0.000 0.525 285 K N 0.838 121.220 120.400 -0.031 0.000 2.322 285 K HA 0.662 4.996 4.320 0.024 0.000 0.283 285 K C 0.638 177.109 176.600 -0.214 0.000 1.042 285 K CA 0.184 56.427 56.287 -0.074 0.000 0.958 285 K CB 0.573 33.029 32.500 -0.072 0.000 0.984 285 K HN 0.584 nan 8.250 nan 0.000 0.473 286 A N 3.561 126.138 122.820 -0.405 0.000 2.301 286 A HA 0.375 4.709 4.320 0.024 0.000 0.298 286 A C -0.699 176.568 177.584 -0.527 0.000 1.185 286 A CA -0.447 51.186 52.037 -0.674 0.000 0.830 286 A CB 0.909 19.070 19.000 -1.399 0.000 1.112 286 A HN 0.737 nan 8.150 nan 0.000 0.508 287 T N 2.574 116.858 114.554 -0.450 0.000 2.824 287 T HA 0.528 4.892 4.350 0.024 0.000 0.282 287 T C -0.599 173.884 174.700 -0.363 0.000 0.993 287 T CA -0.089 61.803 62.100 -0.347 0.000 0.967 287 T CB 0.443 69.198 68.868 -0.188 0.000 0.960 287 T HN 0.341 nan 8.240 nan 0.000 0.441 288 F N 2.108 121.962 119.950 -0.159 0.000 2.429 288 F HA 0.515 5.056 4.527 0.023 0.000 0.348 288 F C 0.554 176.237 175.800 -0.196 0.000 1.109 288 F CA -0.431 57.471 58.000 -0.163 0.000 1.232 288 F CB 0.757 39.682 39.000 -0.124 0.000 1.157 288 F HN 0.200 nan 8.300 nan 0.000 0.564 289 V N 4.941 124.812 119.914 -0.070 0.000 2.760 289 V HA 0.575 4.709 4.120 0.024 0.000 0.309 289 V C -0.910 174.958 176.094 -0.377 0.000 1.077 289 V CA -0.744 61.365 62.300 -0.319 0.000 0.910 289 V CB 1.899 33.313 31.823 -0.681 0.000 1.008 289 V HN 0.755 nan 8.190 nan 0.000 0.424 290 R N 4.743 125.083 120.500 -0.268 0.000 2.589 290 R HA 0.566 4.921 4.340 0.024 0.000 0.293 290 R C -1.537 174.648 176.300 -0.192 0.000 0.963 290 R CA -0.462 55.497 56.100 -0.235 0.000 0.905 290 R CB 1.997 32.285 30.300 -0.020 0.000 1.144 290 R HN 0.598 nan 8.270 nan 0.000 0.459 291 F N 1.676 121.653 119.950 0.045 0.000 2.399 291 F HA 0.364 4.906 4.527 0.024 0.000 0.334 291 F C 0.941 176.672 175.800 -0.115 0.000 1.097 291 F CA -0.157 57.841 58.000 -0.003 0.000 1.076 291 F CB 0.946 39.834 39.000 -0.187 0.000 1.162 291 F HN 0.189 nan 8.300 nan 0.000 0.495 292 H N 0.859 119.934 119.070 0.009 0.000 2.717 292 H HA 0.246 4.816 4.556 0.024 0.000 0.366 292 H C -1.532 173.578 175.328 -0.364 0.000 1.132 292 H CA -0.963 54.989 56.048 -0.158 0.000 1.180 292 H CB 1.921 31.678 29.762 -0.008 0.000 1.678 292 H HN 0.672 nan 8.280 nan 0.000 0.537 293 W N 2.355 123.549 121.300 -0.175 0.000 2.532 293 W HA 0.319 4.994 4.660 0.024 0.000 0.321 293 W C -0.037 176.521 176.519 0.065 0.000 1.037 293 W CA -0.784 56.526 57.345 -0.058 0.000 1.220 293 W CB 1.748 31.024 29.460 -0.306 0.000 1.361 293 W HN 0.297 nan 8.180 nan 0.000 0.468 294 K N 5.640 126.316 120.400 0.459 0.000 2.213 294 K HA 0.389 4.723 4.320 0.024 0.000 0.270 294 K C -2.387 174.452 176.600 0.398 0.000 1.002 294 K CA -1.823 54.669 56.287 0.342 0.000 0.868 294 K CB 1.374 34.026 32.500 0.254 0.000 1.093 294 K HN 0.053 nan 8.250 nan 0.000 0.454 295 P HA 0.072 nan 4.420 nan 0.000 0.282 295 P C 0.353 177.666 177.300 0.023 0.000 1.274 295 P CA -0.167 63.018 63.100 0.143 0.000 0.770 295 P CB 0.856 32.648 31.700 0.153 0.000 0.867 296 L N 2.752 123.929 121.223 -0.076 0.000 2.362 296 L HA -0.079 4.275 4.340 0.024 0.000 0.219 296 L C 2.144 178.997 176.870 -0.028 0.000 1.134 296 L CA 1.089 55.919 54.840 -0.016 0.000 0.807 296 L CB -0.563 41.494 42.059 -0.003 0.000 0.927 296 L HN 0.354 nan 8.230 nan 0.000 0.447 297 A N -0.013 122.764 122.820 -0.072 0.000 2.251 297 A HA 0.429 4.763 4.320 0.024 0.000 0.209 297 A C 1.200 178.785 177.584 0.001 0.000 1.187 297 A CA 0.635 52.647 52.037 -0.042 0.000 0.823 297 A CB -0.358 18.597 19.000 -0.074 0.000 0.846 297 A HN 0.447 nan 8.150 nan 0.000 0.486 298 G N -0.691 108.124 108.800 0.025 0.000 2.707 298 G HA2 -0.097 3.877 3.960 0.024 0.000 0.686 298 G HA3 -0.097 3.877 3.960 0.024 0.000 0.686 298 G C -0.724 174.210 174.900 0.057 0.000 1.315 298 G CA -0.558 44.576 45.100 0.056 0.000 0.832 298 G HN 0.413 nan 8.290 nan 0.000 0.573 299 K N 0.167 120.607 120.400 0.067 0.000 2.185 299 K HA 0.738 5.073 4.320 0.024 0.000 0.269 299 K C 0.158 176.765 176.600 0.012 0.000 0.987 299 K CA 0.136 56.448 56.287 0.042 0.000 0.865 299 K CB 1.832 34.343 32.500 0.019 0.000 1.090 299 K HN 1.386 nan 8.250 nan 0.000 0.450 300 A N 1.785 124.594 122.820 -0.019 0.000 2.547 300 A HA 0.647 4.981 4.320 0.024 0.000 0.297 300 A C -1.123 176.494 177.584 0.055 0.000 1.056 300 A CA -0.660 51.309 52.037 -0.114 0.000 0.688 300 A CB 1.766 20.508 19.000 -0.430 0.000 1.282 300 A HN 0.520 nan 8.150 nan 0.000 0.400 301 S N 0.421 116.293 115.700 0.287 0.000 2.632 301 S HA 0.736 5.220 4.470 0.024 0.000 0.289 301 S C -0.120 174.798 174.600 0.530 0.000 1.115 301 S CA -0.607 57.820 58.200 0.379 0.000 0.889 301 S CB 1.191 64.608 63.200 0.361 0.000 1.116 301 S HN 0.650 nan 8.310 nan 0.000 0.486 302 L N 1.378 122.813 121.223 0.353 0.000 2.482 302 L HA 0.510 4.864 4.340 0.024 0.000 0.242 302 L C 0.147 177.157 176.870 0.234 0.000 1.210 302 L CA -0.725 54.251 54.840 0.228 0.000 0.819 302 L CB 0.110 42.209 42.059 0.065 0.000 1.203 302 L HN 0.494 nan 8.230 nan 0.000 0.495 303 V N -2.926 117.025 119.914 0.061 0.000 2.850 303 V HA 0.184 4.318 4.120 0.024 0.000 0.315 303 V C 0.674 176.718 176.094 -0.083 0.000 1.064 303 V CA -0.783 61.522 62.300 0.008 0.000 0.979 303 V CB 1.619 33.425 31.823 -0.028 0.000 1.039 303 V HN 0.944 nan 8.190 nan 0.000 0.452 304 W N 1.920 123.095 121.300 -0.208 0.000 2.335 304 W HA -0.219 4.455 4.660 0.023 0.000 0.311 304 W C 1.758 178.118 176.519 -0.266 0.000 1.213 304 W CA 2.574 59.788 57.345 -0.219 0.000 1.274 304 W CB -0.106 29.215 29.460 -0.231 0.000 1.148 304 W HN 1.003 nan 8.180 nan 0.000 0.498 305 D N 0.180 120.282 120.400 -0.497 0.000 2.144 305 D HA -0.275 4.380 4.640 0.024 0.000 0.199 305 D C 2.147 178.067 176.300 -0.635 0.000 0.984 305 D CA 2.038 55.706 54.000 -0.554 0.000 0.834 305 D CB -0.438 40.292 40.800 -0.117 0.000 0.955 305 D HN 0.370 nan 8.370 nan 0.000 0.465 306 E N -0.321 119.378 120.200 -0.836 0.000 2.031 306 E HA -0.206 4.158 4.350 0.024 0.000 0.193 306 E C 2.044 178.279 176.600 -0.608 0.000 0.994 306 E CA 1.072 56.922 56.400 -0.917 0.000 0.800 306 E CB -0.239 28.813 29.700 -1.080 0.000 0.752 306 E HN 0.299 nan 8.360 nan 0.000 0.447 307 A N 1.185 123.677 122.820 -0.547 0.000 1.908 307 A HA -0.276 4.058 4.320 0.024 0.000 0.218 307 A C 2.190 179.429 177.584 -0.574 0.000 1.181 307 A CA 1.905 53.670 52.037 -0.453 0.000 0.627 307 A CB -0.741 18.112 19.000 -0.245 0.000 0.818 307 A HN 0.465 nan 8.150 nan 0.000 0.445 308 Q N -0.571 118.659 119.800 -0.949 0.000 2.046 308 Q HA -0.186 4.168 4.340 0.024 0.000 0.200 308 Q C 2.196 177.898 176.000 -0.496 0.000 0.975 308 Q CA 1.805 57.069 55.803 -0.899 0.000 0.836 308 Q CB -0.157 27.739 28.738 -1.403 0.000 0.896 308 Q HN 0.667 nan 8.270 nan 0.000 0.428 309 K N 0.050 120.177 120.400 -0.455 0.000 2.147 309 K HA -0.157 4.177 4.320 0.024 0.000 0.205 309 K C 2.077 178.525 176.600 -0.252 0.000 1.049 309 K CA 0.768 56.888 56.287 -0.279 0.000 0.936 309 K CB -0.059 32.322 32.500 -0.199 0.000 0.722 309 K HN 0.178 nan 8.250 nan 0.000 0.446 310 L N 1.410 122.440 121.223 -0.323 0.000 2.131 310 L HA -0.149 4.205 4.340 0.024 0.000 0.210 310 L C 2.237 178.965 176.870 -0.237 0.000 1.092 310 L CA 2.225 56.874 54.840 -0.318 0.000 0.759 310 L CB -0.972 40.810 42.059 -0.462 0.000 0.903 310 L HN 0.346 nan 8.230 nan 0.000 0.435 311 T N -4.178 110.241 114.554 -0.225 0.000 2.803 311 T HA -0.103 4.261 4.350 0.024 0.000 0.269 311 T C 1.871 176.505 174.700 -0.110 0.000 1.052 311 T CA 1.095 63.108 62.100 -0.146 0.000 1.136 311 T CB -1.079 67.715 68.868 -0.123 0.000 0.864 311 T HN 0.388 nan 8.240 nan 0.000 0.467 312 G N 1.260 109.986 108.800 -0.123 0.000 2.417 312 G HA2 -0.022 3.952 3.960 0.024 0.000 0.212 312 G HA3 -0.022 3.952 3.960 0.024 0.000 0.212 312 G C 1.904 176.757 174.900 -0.078 0.000 1.187 312 G CA -0.176 44.870 45.100 -0.091 0.000 0.804 312 G HN 0.316 nan 8.290 nan 0.000 0.534 313 R N 0.349 120.792 120.500 -0.095 0.000 2.092 313 R HA 0.024 4.378 4.340 0.024 0.000 0.231 313 R C -0.104 176.167 176.300 -0.048 0.000 1.119 313 R CA 0.901 56.959 56.100 -0.070 0.000 0.970 313 R CB -0.270 29.980 30.300 -0.084 0.000 0.864 313 R HN 0.352 nan 8.270 nan 0.000 0.440 314 D N -0.603 119.763 120.400 -0.057 0.000 2.411 314 D HA 0.134 4.789 4.640 0.024 0.000 0.239 314 D C -2.169 174.129 176.300 -0.002 0.000 1.307 314 D CA -1.727 52.274 54.000 0.001 0.000 0.930 314 D CB 1.353 42.204 40.800 0.085 0.000 1.395 314 D HN -0.130 nan 8.370 nan 0.000 0.536 315 P HA 0.043 nan 4.420 nan 0.000 0.234 315 P C 0.000 177.304 177.300 0.007 0.000 1.167 315 P CA 0.474 63.560 63.100 -0.022 0.000 0.763 315 P CB 0.507 32.192 31.700 -0.026 0.000 0.835 316 D N -1.250 119.167 120.400 0.027 0.000 2.427 316 D HA 0.077 4.731 4.640 0.024 0.000 0.224 316 D C 1.125 177.464 176.300 0.064 0.000 1.157 316 D CA -0.424 53.598 54.000 0.037 0.000 0.828 316 D CB -0.553 40.247 40.800 0.001 0.000 0.974 316 D HN 0.134 nan 8.370 nan 0.000 0.498 317 F N 1.006 120.893 119.950 -0.106 0.000 2.134 317 F HA -0.185 4.356 4.527 0.023 0.000 0.299 317 F C 2.032 177.798 175.800 -0.057 0.000 1.097 317 F CA 1.773 59.707 58.000 -0.111 0.000 1.264 317 F CB 0.103 38.987 39.000 -0.193 0.000 1.001 317 F HN 0.095 nan 8.300 nan 0.000 0.479 318 H N -1.063 117.927 119.070 -0.133 0.000 2.395 318 H HA -0.066 4.504 4.556 0.023 0.000 0.299 318 H C 2.367 177.592 175.328 -0.171 0.000 1.070 318 H CA 0.879 56.699 56.048 -0.381 0.000 1.356 318 H CB -0.118 29.235 29.762 -0.682 0.000 1.401 318 H HN 0.167 nan 8.280 nan 0.000 0.524 319 R N 1.304 121.903 120.500 0.165 0.000 2.091 319 R HA -0.151 4.204 4.340 0.024 0.000 0.238 319 R C 2.445 178.851 176.300 0.176 0.000 1.136 319 R CA 1.422 57.674 56.100 0.252 0.000 0.959 319 R CB -0.046 30.389 30.300 0.225 0.000 0.856 319 R HN 0.213 nan 8.270 nan 0.000 0.437 320 R N 0.347 120.870 120.500 0.038 0.000 2.073 320 R HA -0.147 4.208 4.340 0.024 0.000 0.234 320 R C 2.180 178.476 176.300 -0.008 0.000 1.134 320 R CA 1.701 57.803 56.100 0.003 0.000 0.952 320 R CB -0.278 29.988 30.300 -0.055 0.000 0.850 320 R HN 0.260 nan 8.270 nan 0.000 0.433 321 E N 0.734 120.817 120.200 -0.195 0.000 2.077 321 E HA -0.214 4.150 4.350 0.024 0.000 0.193 321 E C 2.049 178.614 176.600 -0.058 0.000 0.989 321 E CA 1.252 57.510 56.400 -0.237 0.000 0.800 321 E CB -0.122 29.261 29.700 -0.528 0.000 0.746 321 E HN 0.285 nan 8.360 nan 0.000 0.452 322 L N 0.842 122.076 121.223 0.018 0.000 1.994 322 L HA -0.169 4.185 4.340 0.024 0.000 0.208 322 L C 2.285 179.258 176.870 0.171 0.000 1.071 322 L CA 1.957 56.859 54.840 0.104 0.000 0.745 322 L CB -0.869 41.311 42.059 0.202 0.000 0.892 322 L HN 0.322 nan 8.230 nan 0.000 0.431 323 W N 0.787 122.120 121.300 0.054 0.000 2.358 323 W HA -0.182 4.492 4.660 0.023 0.000 0.303 323 W C 2.128 178.675 176.519 0.047 0.000 1.208 323 W CA 2.022 59.414 57.345 0.078 0.000 1.274 323 W CB -0.030 29.479 29.460 0.081 0.000 1.138 323 W HN 0.358 nan 8.180 nan 0.000 0.515 324 E N -0.051 120.320 120.200 0.285 0.000 2.216 324 E HA -0.085 4.279 4.350 0.024 0.000 0.192 324 E C 2.353 178.976 176.600 0.037 0.000 0.988 324 E CA 0.793 57.282 56.400 0.148 0.000 0.834 324 E CB -0.240 29.497 29.700 0.063 0.000 0.772 324 E HN 0.164 nan 8.360 nan 0.000 0.479 325 A N 1.454 124.294 122.820 0.034 0.000 1.877 325 A HA -0.187 4.147 4.320 0.024 0.000 0.216 325 A C 2.166 179.769 177.584 0.032 0.000 1.186 325 A CA 1.138 53.188 52.037 0.021 0.000 0.620 325 A CB -0.569 18.446 19.000 0.025 0.000 0.822 325 A HN 0.130 nan 8.150 nan 0.000 0.443 326 I N -0.449 120.161 120.570 0.066 0.000 2.252 326 I HA -0.234 3.950 4.170 0.024 0.000 0.245 326 I C 2.415 178.590 176.117 0.096 0.000 1.102 326 I CA 1.431 62.817 61.300 0.144 0.000 1.385 326 I CB -0.481 37.548 38.000 0.049 0.000 1.064 326 I HN 0.418 nan 8.210 nan 0.000 0.414 327 E N 0.892 121.099 120.200 0.013 0.000 2.204 327 E HA -0.193 4.171 4.350 0.024 0.000 0.195 327 E C 2.100 178.708 176.600 0.012 0.000 0.990 327 E CA 1.220 57.640 56.400 0.034 0.000 0.821 327 E CB -0.097 29.654 29.700 0.085 0.000 0.750 327 E HN 0.520 nan 8.360 nan 0.000 0.477 328 A N 0.046 122.849 122.820 -0.029 0.000 2.218 328 A HA 0.246 4.580 4.320 0.024 0.000 0.209 328 A C 1.796 179.298 177.584 -0.137 0.000 1.168 328 A CA 0.874 52.874 52.037 -0.061 0.000 0.804 328 A CB -0.052 18.900 19.000 -0.079 0.000 0.834 328 A HN 0.324 nan 8.150 nan 0.000 0.482 329 G N -0.297 108.327 108.800 -0.295 0.000 2.179 329 G HA2 -0.215 3.759 3.960 0.024 0.000 0.260 329 G HA3 -0.215 3.759 3.960 0.024 0.000 0.260 329 G C -0.182 174.194 174.900 -0.873 0.000 0.977 329 G CA 0.268 44.861 45.100 -0.845 0.000 0.641 329 G HN 0.456 nan 8.290 nan 0.000 0.533 330 D N 0.997 121.170 120.400 -0.379 0.000 2.801 330 D HA 0.263 4.917 4.640 0.024 0.000 0.232 330 D C 0.808 177.047 176.300 -0.102 0.000 1.128 330 D CA -0.083 53.799 54.000 -0.198 0.000 1.003 330 D CB -0.734 40.053 40.800 -0.022 0.000 1.110 330 D HN 0.438 nan 8.370 nan 0.000 0.477 331 F N 1.304 121.258 119.950 0.008 0.000 2.608 331 F HA 0.076 4.617 4.527 0.024 0.000 0.380 331 F C -1.343 174.431 175.800 -0.043 0.000 1.083 331 F CA -1.902 56.095 58.000 -0.005 0.000 1.266 331 F CB -0.002 39.007 39.000 0.015 0.000 1.076 331 F HN -0.085 nan 8.300 nan 0.000 0.574 332 P HA 0.013 nan 4.420 nan 0.000 0.262 332 P C -1.086 176.156 177.300 -0.096 0.000 1.199 332 P CA 0.432 63.517 63.100 -0.024 0.000 0.763 332 P CB 0.406 32.179 31.700 0.122 0.000 0.790 333 E N 2.518 122.530 120.200 -0.313 0.000 2.222 333 E HA 0.455 4.819 4.350 0.024 0.000 0.267 333 E C -1.002 175.298 176.600 -0.499 0.000 0.884 333 E CA -0.588 55.675 56.400 -0.229 0.000 0.764 333 E CB 1.395 31.055 29.700 -0.067 0.000 1.169 333 E HN 0.381 nan 8.360 nan 0.000 0.413 334 Y N 0.333 120.705 120.300 0.120 0.000 2.477 334 Y HA 0.250 4.814 4.550 0.024 0.000 0.347 334 Y C -0.204 175.933 175.900 0.394 0.000 0.981 334 Y CA -0.975 57.274 58.100 0.249 0.000 1.033 334 Y CB 1.941 40.514 38.460 0.187 0.000 1.245 334 Y HN 0.458 nan 8.280 nan 0.000 0.455 335 E N 2.715 123.248 120.200 0.555 0.000 2.174 335 E HA 0.356 4.720 4.350 0.024 0.000 0.282 335 E C -1.385 175.513 176.600 0.496 0.000 0.992 335 E CA -0.955 55.731 56.400 0.477 0.000 0.803 335 E CB 0.973 30.884 29.700 0.350 0.000 1.090 335 E HN 0.578 nan 8.360 nan 0.000 0.396 336 L N 4.369 125.803 121.223 0.352 0.000 2.410 336 L HA 0.459 4.813 4.340 0.024 0.000 0.273 336 L C -0.025 176.776 176.870 -0.115 0.000 1.152 336 L CA 0.735 55.475 54.840 -0.166 0.000 0.855 336 L CB 0.911 42.840 42.059 -0.218 0.000 1.129 336 L HN 0.585 nan 8.230 nan 0.000 0.463 337 G N 4.388 113.129 108.800 -0.098 0.000 2.660 337 G HA2 0.569 4.543 3.960 0.024 0.000 0.294 337 G HA3 0.569 4.543 3.960 0.024 0.000 0.294 337 G C -1.670 173.361 174.900 0.218 0.000 1.369 337 G CA -0.532 44.545 45.100 -0.037 0.000 0.912 337 G HN 0.445 nan 8.290 nan 0.000 0.479 338 F N 0.221 120.193 119.950 0.036 0.000 2.507 338 F HA 0.382 4.923 4.527 0.024 0.000 0.325 338 F C 0.342 176.139 175.800 -0.005 0.000 1.116 338 F CA -0.973 57.047 58.000 0.033 0.000 0.930 338 F CB 2.598 41.601 39.000 0.005 0.000 1.146 338 F HN 0.143 nan 8.300 nan 0.000 0.447 339 Q N 4.322 124.244 119.800 0.203 0.000 2.274 339 Q HA 0.484 4.838 4.340 0.024 0.000 0.256 339 Q C -1.037 175.008 176.000 0.075 0.000 0.927 339 Q CA -0.411 55.454 55.803 0.103 0.000 0.939 339 Q CB 1.999 30.799 28.738 0.103 0.000 1.201 339 Q HN 0.533 nan 8.270 nan 0.000 0.426 340 L N 4.346 125.620 121.223 0.085 0.000 2.322 340 L HA 0.600 4.954 4.340 0.024 0.000 0.281 340 L C -0.557 176.366 176.870 0.089 0.000 1.014 340 L CA -0.592 54.286 54.840 0.063 0.000 0.815 340 L CB 1.328 43.432 42.059 0.076 0.000 1.247 340 L HN 0.513 nan 8.230 nan 0.000 0.421 341 I N 4.173 124.811 120.570 0.115 0.000 2.478 341 I HA 0.357 4.542 4.170 0.024 0.000 0.287 341 I C -2.336 173.898 176.117 0.194 0.000 1.042 341 I CA -2.024 59.386 61.300 0.183 0.000 1.067 341 I CB 2.478 40.604 38.000 0.209 0.000 1.233 341 I HN 0.293 nan 8.210 nan 0.000 0.431 342 P HA 0.065 nan 4.420 nan 0.000 0.269 342 P C 0.614 177.984 177.300 0.116 0.000 1.215 342 P CA -0.086 63.053 63.100 0.064 0.000 0.780 342 P CB 0.885 32.615 31.700 0.050 0.000 0.898 343 E N 1.293 121.481 120.200 -0.020 0.000 2.114 343 E HA -0.291 4.073 4.350 0.024 0.000 0.199 343 E C 1.056 177.749 176.600 0.154 0.000 1.008 343 E CA 1.629 58.034 56.400 0.007 0.000 0.810 343 E CB -0.042 29.587 29.700 -0.119 0.000 0.739 343 E HN 0.461 nan 8.360 nan 0.000 0.456 344 E N 0.512 120.772 120.200 0.101 0.000 2.396 344 E HA -0.156 4.209 4.350 0.024 0.000 0.200 344 E C 0.705 177.372 176.600 0.111 0.000 1.023 344 E CA 1.113 57.577 56.400 0.107 0.000 0.857 344 E CB 0.027 29.768 29.700 0.068 0.000 0.775 344 E HN 0.259 nan 8.360 nan 0.000 0.525 345 D N -0.272 120.198 120.400 0.118 0.000 2.402 345 D HA -0.004 4.651 4.640 0.024 0.000 0.216 345 D C 1.140 177.476 176.300 0.060 0.000 1.128 345 D CA 0.018 54.062 54.000 0.072 0.000 0.833 345 D CB 0.059 40.914 40.800 0.092 0.000 0.971 345 D HN 0.266 nan 8.370 nan 0.000 0.503 346 E N -0.212 119.986 120.200 -0.003 0.000 2.171 346 E HA -0.194 4.170 4.350 0.024 0.000 0.197 346 E C 0.411 176.695 176.600 -0.526 0.000 0.997 346 E CA 1.089 57.268 56.400 -0.369 0.000 0.810 346 E CB 0.031 29.355 29.700 -0.626 0.000 0.738 346 E HN 0.271 nan 8.360 nan 0.000 0.467 347 F N -0.573 119.387 119.950 0.017 0.000 2.668 347 F HA 0.278 4.820 4.527 0.024 0.000 0.301 347 F C 1.038 176.776 175.800 -0.103 0.000 1.106 347 F CA -0.334 57.650 58.000 -0.027 0.000 1.289 347 F CB 0.706 39.697 39.000 -0.015 0.000 1.006 347 F HN -0.200 nan 8.300 nan 0.000 0.535 348 K N 0.213 120.544 120.400 -0.115 0.000 2.437 348 K HA 0.175 4.509 4.320 0.024 0.000 0.198 348 K C -0.503 175.666 176.600 -0.719 0.000 1.024 348 K CA 0.244 56.288 56.287 -0.405 0.000 1.148 348 K CB 0.167 32.359 32.500 -0.513 0.000 0.860 348 K HN 0.134 nan 8.250 nan 0.000 0.515 349 F N -0.350 119.437 119.950 -0.272 0.000 2.575 349 F HA 0.187 4.729 4.527 0.024 0.000 0.330 349 F C 1.175 176.756 175.800 -0.365 0.000 1.056 349 F CA -1.112 56.608 58.000 -0.466 0.000 0.964 349 F CB 1.022 39.359 39.000 -1.106 0.000 1.258 349 F HN -0.202 nan 8.300 nan 0.000 0.484 350 D N 0.487 120.859 120.400 -0.047 0.000 2.310 350 D HA -0.039 4.615 4.640 0.024 0.000 0.212 350 D C -0.056 176.312 176.300 0.114 0.000 0.965 350 D CA 1.199 55.248 54.000 0.082 0.000 0.879 350 D CB -0.156 40.781 40.800 0.228 0.000 0.921 350 D HN 0.254 nan 8.370 nan 0.000 0.510 351 F N -0.768 119.264 119.950 0.136 0.000 2.575 351 F HA 0.489 5.031 4.527 0.024 0.000 0.330 351 F C 0.075 175.865 175.800 -0.016 0.000 1.056 351 F CA -1.599 56.402 58.000 0.002 0.000 0.964 351 F CB 0.758 39.705 39.000 -0.089 0.000 1.258 351 F HN -0.395 nan 8.300 nan 0.000 0.484 352 D N 1.546 121.971 120.400 0.042 0.000 2.264 352 D HA 0.193 4.847 4.640 0.024 0.000 0.250 352 D C 0.984 177.243 176.300 -0.067 0.000 1.113 352 D CA -0.141 53.836 54.000 -0.039 0.000 0.871 352 D CB 1.514 42.323 40.800 0.014 0.000 1.167 352 D HN 0.747 nan 8.370 nan 0.000 0.447 353 L N 3.310 124.425 121.223 -0.179 0.000 2.265 353 L HA -0.126 4.228 4.340 0.024 0.000 0.215 353 L C 1.944 178.693 176.870 -0.202 0.000 1.117 353 L CA 0.683 55.392 54.840 -0.218 0.000 0.782 353 L CB -0.101 41.677 42.059 -0.467 0.000 0.914 353 L HN 0.443 nan 8.230 nan 0.000 0.441 354 L N -0.964 120.165 121.223 -0.157 0.000 2.591 354 L HA 0.070 4.424 4.340 0.024 0.000 0.228 354 L C 0.421 177.230 176.870 -0.102 0.000 1.133 354 L CA -0.130 54.680 54.840 -0.051 0.000 0.880 354 L CB -0.211 41.921 42.059 0.123 0.000 1.033 354 L HN 0.086 nan 8.230 nan 0.000 0.450 355 D N 1.862 121.980 120.400 -0.470 0.000 2.380 355 D HA 0.112 4.767 4.640 0.024 0.000 0.230 355 D C -1.507 174.566 176.300 -0.378 0.000 1.154 355 D CA -2.265 51.193 54.000 -0.904 0.000 0.859 355 D CB 1.543 41.616 40.800 -1.211 0.000 1.045 355 D HN -0.057 nan 8.370 nan 0.000 0.495 356 P HA -0.066 nan 4.420 nan 0.000 0.237 356 P C 0.865 178.066 177.300 -0.166 0.000 1.178 356 P CA 0.634 63.663 63.100 -0.118 0.000 0.766 356 P CB -0.045 31.679 31.700 0.041 0.000 0.876 357 T N -4.170 110.275 114.554 -0.181 0.000 3.129 357 T HA 0.122 4.486 4.350 0.024 0.000 0.251 357 T C 0.748 175.356 174.700 -0.153 0.000 1.117 357 T CA -0.009 61.992 62.100 -0.165 0.000 1.034 357 T CB -0.255 68.560 68.868 -0.089 0.000 0.968 357 T HN -0.104 nan 8.240 nan 0.000 0.526 358 K N 1.989 122.210 120.400 -0.299 0.000 2.221 358 K HA 0.565 4.900 4.320 0.024 0.000 0.258 358 K C -0.304 176.113 176.600 -0.307 0.000 0.944 358 K CA -0.879 55.113 56.287 -0.491 0.000 0.823 358 K CB 2.196 34.274 32.500 -0.704 0.000 1.113 358 K HN 0.283 nan 8.250 nan 0.000 0.431 359 L N -0.353 120.823 121.223 -0.079 0.000 2.400 359 L HA 0.645 4.999 4.340 0.024 0.000 0.264 359 L C -0.009 176.664 176.870 -0.328 0.000 1.061 359 L CA -0.454 54.285 54.840 -0.167 0.000 0.799 359 L CB 0.295 42.331 42.059 -0.039 0.000 1.240 359 L HN 0.446 nan 8.230 nan 0.000 0.461 360 I N 1.317 121.789 120.570 -0.165 0.000 2.328 360 I HA 0.373 4.557 4.170 0.024 0.000 0.287 360 I C -2.154 173.978 176.117 0.025 0.000 1.012 360 I CA -1.713 59.539 61.300 -0.080 0.000 1.195 360 I CB 1.205 39.188 38.000 -0.028 0.000 1.350 360 I HN 0.454 nan 8.210 nan 0.000 0.464 361 P HA 0.063 nan 4.420 nan 0.000 0.268 361 P C 0.316 177.684 177.300 0.113 0.000 1.204 361 P CA -0.020 63.129 63.100 0.082 0.000 0.768 361 P CB 0.643 32.387 31.700 0.073 0.000 0.842 362 E N 1.701 121.972 120.200 0.118 0.000 2.204 362 E HA -0.203 4.161 4.350 0.024 0.000 0.195 362 E C 1.383 178.037 176.600 0.090 0.000 0.990 362 E CA 0.829 57.286 56.400 0.095 0.000 0.821 362 E CB -0.028 29.726 29.700 0.090 0.000 0.750 362 E HN 0.518 nan 8.360 nan 0.000 0.477 363 E N 0.397 120.652 120.200 0.092 0.000 2.204 363 E HA -0.149 4.215 4.350 0.024 0.000 0.195 363 E C 2.069 178.733 176.600 0.108 0.000 0.990 363 E CA 0.758 57.209 56.400 0.085 0.000 0.821 363 E CB 0.056 29.800 29.700 0.073 0.000 0.750 363 E HN 0.380 nan 8.360 nan 0.000 0.477 364 L N -0.328 120.983 121.223 0.147 0.000 2.168 364 L HA 0.045 4.399 4.340 0.024 0.000 0.203 364 L C 0.673 177.667 176.870 0.207 0.000 1.078 364 L CA 0.475 55.441 54.840 0.209 0.000 0.780 364 L CB 0.418 42.677 42.059 0.333 0.000 0.939 364 L HN -0.195 nan 8.230 nan 0.000 0.451 365 V N 0.897 120.911 119.914 0.166 0.000 2.445 365 V HA 0.303 4.438 4.120 0.024 0.000 0.283 365 V C -2.423 173.719 176.094 0.081 0.000 1.014 365 V CA -1.407 60.975 62.300 0.136 0.000 0.852 365 V CB 1.409 33.308 31.823 0.127 0.000 1.021 365 V HN -0.039 nan 8.190 nan 0.000 0.435 366 P HA 0.149 nan 4.420 nan 0.000 0.272 366 P C -0.226 177.073 177.300 -0.001 0.000 1.223 366 P CA -0.039 63.080 63.100 0.032 0.000 0.784 366 P CB 0.709 32.431 31.700 0.038 0.000 0.923 367 V N 3.391 123.270 119.914 -0.059 0.000 2.470 367 V HA 0.045 4.179 4.120 0.024 0.000 0.276 367 V C 0.665 176.748 176.094 -0.019 0.000 1.040 367 V CA 0.171 62.408 62.300 -0.105 0.000 1.008 367 V CB -0.235 31.444 31.823 -0.241 0.000 0.990 367 V HN 0.457 nan 8.190 nan 0.000 0.477 368 Q N 5.173 124.983 119.800 0.016 0.000 2.274 368 Q HA 0.403 4.757 4.340 0.024 0.000 0.256 368 Q C -0.195 175.796 176.000 -0.015 0.000 0.927 368 Q CA -0.528 55.286 55.803 0.018 0.000 0.939 368 Q CB 1.525 30.288 28.738 0.041 0.000 1.201 368 Q HN 0.617 nan 8.270 nan 0.000 0.426 369 R N 1.208 121.725 120.500 0.028 0.000 2.623 369 R HA 0.053 4.407 4.340 0.024 0.000 0.271 369 R C 0.428 176.759 176.300 0.052 0.000 1.043 369 R CA -0.073 56.086 56.100 0.098 0.000 1.083 369 R CB 0.532 30.960 30.300 0.214 0.000 0.974 369 R HN 0.442 nan 8.270 nan 0.000 0.436 370 V N 0.767 120.636 119.914 -0.075 0.000 3.137 370 V HA 0.327 4.461 4.120 0.024 0.000 0.236 370 V C 0.711 176.582 176.094 -0.371 0.000 1.260 370 V CA 0.988 63.126 62.300 -0.270 0.000 1.244 370 V CB 1.029 32.428 31.823 -0.706 0.000 1.016 370 V HN 1.023 nan 8.190 nan 0.000 0.477 371 G N -0.269 108.159 108.800 -0.620 0.000 2.349 371 G HA2 0.475 4.449 3.960 0.024 0.000 0.294 371 G HA3 0.475 4.449 3.960 0.024 0.000 0.294 371 G C -1.899 172.619 174.900 -0.636 0.000 1.380 371 G CA -0.565 43.875 45.100 -1.100 0.000 0.811 371 G HN 0.035 nan 8.290 nan 0.000 0.519 372 K N -0.154 119.888 120.400 -0.598 0.000 2.397 372 K HA 0.697 5.031 4.320 0.024 0.000 0.253 372 K C -0.776 175.845 176.600 0.035 0.000 0.932 372 K CA -0.770 55.477 56.287 -0.067 0.000 0.795 372 K CB 1.956 34.461 32.500 0.008 0.000 1.159 372 K HN 0.575 nan 8.250 nan 0.000 0.424 373 M N 4.753 124.533 119.600 0.300 0.000 2.294 373 M HA 0.389 4.883 4.480 0.024 0.000 0.335 373 M C -1.642 174.636 176.300 -0.036 0.000 1.079 373 M CA -0.765 54.637 55.300 0.170 0.000 0.982 373 M CB 1.547 34.271 32.600 0.207 0.000 1.651 373 M HN 0.332 nan 8.290 nan 0.000 0.437 374 V N 6.387 126.108 119.914 -0.320 0.000 2.487 374 V HA 0.430 4.564 4.120 0.024 0.000 0.298 374 V C -0.541 175.417 176.094 -0.226 0.000 1.028 374 V CA -0.721 61.415 62.300 -0.273 0.000 0.860 374 V CB 1.790 33.340 31.823 -0.455 0.000 0.991 374 V HN 0.803 nan 8.190 nan 0.000 0.427 375 L N 5.577 126.755 121.223 -0.074 0.000 2.255 375 L HA 0.472 4.826 4.340 0.024 0.000 0.289 375 L C 0.461 177.248 176.870 -0.139 0.000 1.046 375 L CA -0.299 54.503 54.840 -0.063 0.000 0.816 375 L CB 0.945 43.021 42.059 0.030 0.000 1.197 375 L HN 0.874 nan 8.230 nan 0.000 0.427 376 N N 2.550 121.085 118.700 -0.275 0.000 2.197 376 N HA 0.130 4.884 4.740 0.024 0.000 0.228 376 N C -0.010 175.340 175.510 -0.267 0.000 1.212 376 N CA -0.372 52.281 53.050 -0.661 0.000 0.883 376 N CB 0.757 38.525 38.487 -1.197 0.000 1.107 376 N HN 0.451 nan 8.380 nan 0.000 0.519 377 R N 0.341 120.784 120.500 -0.096 0.000 2.515 377 R HA 0.279 4.633 4.340 0.024 0.000 0.278 377 R C -1.238 175.027 176.300 -0.059 0.000 1.107 377 R CA -0.565 55.497 56.100 -0.063 0.000 0.945 377 R CB 1.182 31.451 30.300 -0.052 0.000 1.219 377 R HN 0.049 nan 8.270 nan 0.000 0.434 378 N N 3.629 122.167 118.700 -0.269 0.000 2.415 378 N HA 0.172 4.926 4.740 0.024 0.000 0.248 378 N C -2.234 173.218 175.510 -0.097 0.000 1.271 378 N CA -0.941 51.803 53.050 -0.510 0.000 0.913 378 N CB 0.379 37.916 38.487 -1.583 0.000 1.129 378 N HN 0.334 nan 8.380 nan 0.000 0.444 379 P HA 0.099 nan 4.420 nan 0.000 0.274 379 P C 0.177 177.667 177.300 0.317 0.000 1.260 379 P CA -0.106 63.193 63.100 0.332 0.000 0.793 379 P CB 0.945 32.886 31.700 0.402 0.000 1.048 380 D N -1.270 119.291 120.400 0.268 0.000 2.197 380 D HA -0.017 4.638 4.640 0.024 0.000 0.212 380 D C 0.444 176.923 176.300 0.298 0.000 0.963 380 D CA 1.335 55.486 54.000 0.253 0.000 0.864 380 D CB 0.105 40.994 40.800 0.148 0.000 1.009 380 D HN 0.373 nan 8.370 nan 0.000 0.479 381 N N -0.155 118.711 118.700 0.276 0.000 2.448 381 N HA 0.019 4.773 4.740 0.024 0.000 0.279 381 N C -0.025 175.695 175.510 0.350 0.000 1.025 381 N CA -0.327 52.899 53.050 0.293 0.000 0.898 381 N CB 1.608 40.233 38.487 0.230 0.000 1.303 381 N HN -0.138 nan 8.380 nan 0.000 0.495 382 F N 4.424 124.528 119.950 0.258 0.000 2.102 382 F HA -0.126 4.415 4.527 0.023 0.000 0.298 382 F C 1.660 177.599 175.800 0.231 0.000 1.105 382 F CA 1.322 59.478 58.000 0.261 0.000 1.239 382 F CB -0.086 39.041 39.000 0.212 0.000 0.991 382 F HN 0.592 nan 8.300 nan 0.000 0.474 383 F N 0.897 121.095 119.950 0.414 0.000 2.069 383 F HA -0.162 4.380 4.527 0.024 0.000 0.298 383 F C 2.321 178.185 175.800 0.106 0.000 1.113 383 F CA 1.847 60.003 58.000 0.261 0.000 1.214 383 F CB -0.884 38.240 39.000 0.207 0.000 0.978 383 F HN -0.004 nan 8.300 nan 0.000 0.474 384 A N -0.393 122.557 122.820 0.216 0.000 1.930 384 A HA -0.153 4.181 4.320 0.024 0.000 0.217 384 A C 2.073 179.589 177.584 -0.114 0.000 1.175 384 A CA 1.984 54.063 52.037 0.070 0.000 0.627 384 A CB -0.647 18.451 19.000 0.162 0.000 0.815 384 A HN 0.591 nan 8.150 nan 0.000 0.443 385 E N -1.370 118.778 120.200 -0.087 0.000 2.132 385 E HA -0.059 4.305 4.350 0.024 0.000 0.193 385 E C 1.951 178.453 176.600 -0.163 0.000 0.951 385 E CA 0.466 56.746 56.400 -0.200 0.000 0.843 385 E CB -0.109 29.524 29.700 -0.112 0.000 0.807 385 E HN 0.560 nan 8.360 nan 0.000 0.467 386 N N 1.304 119.915 118.700 -0.149 0.000 2.182 386 N HA -0.156 4.598 4.740 0.024 0.000 0.186 386 N C 1.826 177.172 175.510 -0.274 0.000 1.036 386 N CA 1.357 54.269 53.050 -0.231 0.000 0.850 386 N CB 0.064 38.008 38.487 -0.905 0.000 1.010 386 N HN -0.068 nan 8.380 nan 0.000 0.432 387 E N 0.839 120.814 120.200 -0.374 0.000 2.077 387 E HA -0.102 4.262 4.350 0.024 0.000 0.193 387 E C 1.656 178.070 176.600 -0.309 0.000 0.989 387 E CA 1.515 57.766 56.400 -0.248 0.000 0.800 387 E CB -0.189 29.381 29.700 -0.217 0.000 0.746 387 E HN 0.506 nan 8.360 nan 0.000 0.452 388 Q N -0.199 119.338 119.800 -0.439 0.000 2.444 388 Q HA 0.244 4.598 4.340 0.024 0.000 0.206 388 Q C 0.050 175.926 176.000 -0.207 0.000 0.948 388 Q CA 0.226 55.827 55.803 -0.337 0.000 0.946 388 Q CB 0.390 28.911 28.738 -0.362 0.000 1.027 388 Q HN 0.222 nan 8.270 nan 0.000 0.513 389 A N 1.276 123.994 122.820 -0.170 0.000 2.511 389 A HA 0.416 4.750 4.320 0.024 0.000 0.242 389 A C -0.080 177.385 177.584 -0.198 0.000 1.069 389 A CA 0.222 52.136 52.037 -0.205 0.000 0.763 389 A CB 0.191 19.136 19.000 -0.092 0.000 1.001 389 A HN 0.286 nan 8.150 nan 0.000 0.498 390 A N 2.672 125.325 122.820 -0.278 0.000 2.310 390 A HA 0.702 5.037 4.320 0.024 0.000 0.304 390 A C -0.721 176.737 177.584 -0.211 0.000 1.231 390 A CA -0.420 51.520 52.037 -0.162 0.000 0.799 390 A CB 0.228 19.118 19.000 -0.183 0.000 1.162 390 A HN 0.649 nan 8.150 nan 0.000 0.486 391 F N 0.945 120.900 119.950 0.008 0.000 2.458 391 F HA 0.654 5.195 4.527 0.024 0.000 0.330 391 F C 0.324 176.108 175.800 -0.028 0.000 1.082 391 F CA -0.151 57.833 58.000 -0.027 0.000 0.995 391 F CB 1.998 40.925 39.000 -0.122 0.000 1.170 391 F HN 0.751 nan 8.300 nan 0.000 0.478 392 H N 3.149 122.104 119.070 -0.191 0.000 3.099 392 H HA 0.261 4.832 4.556 0.024 0.000 0.342 392 H C -2.453 172.513 175.328 -0.603 0.000 1.054 392 H CA -1.678 54.023 56.048 -0.579 0.000 1.328 392 H CB 2.696 32.043 29.762 -0.692 0.000 1.876 392 H HN 0.195 nan 8.280 nan 0.000 0.495 393 P HA -0.022 nan 4.420 nan 0.000 0.226 393 P C 1.161 178.332 177.300 -0.215 0.000 1.153 393 P CA 1.318 64.106 63.100 -0.519 0.000 0.777 393 P CB 0.112 31.555 31.700 -0.428 0.000 0.794 394 G N -0.916 107.552 108.800 -0.553 0.000 2.559 394 G HA2 -0.166 3.808 3.960 0.024 0.000 0.216 394 G HA3 -0.166 3.808 3.960 0.024 0.000 0.216 394 G C 0.469 175.600 174.900 0.385 0.000 1.126 394 G CA 0.033 45.215 45.100 0.138 0.000 0.778 394 G HN 0.448 nan 8.290 nan 0.000 0.543 395 H N 0.673 119.872 119.070 0.215 0.000 3.118 395 H HA 0.348 4.917 4.556 0.023 0.000 0.266 395 H C 0.536 175.971 175.328 0.178 0.000 1.465 395 H CA -0.795 55.341 56.048 0.147 0.000 1.460 395 H CB -0.043 29.772 29.762 0.088 0.000 1.661 395 H HN 0.372 nan 8.280 nan 0.000 0.516 396 I N -0.283 120.411 120.570 0.207 0.000 3.100 396 I HA 0.682 4.866 4.170 0.024 0.000 0.312 396 I C -0.119 175.975 176.117 -0.040 0.000 1.063 396 I CA -1.375 59.970 61.300 0.074 0.000 1.031 396 I CB 1.834 39.763 38.000 -0.118 0.000 1.243 396 I HN 0.114 nan 8.210 nan 0.000 0.483 397 V N -2.018 117.853 119.914 -0.071 0.000 3.141 397 V HA 0.684 4.818 4.120 0.024 0.000 0.312 397 V C -2.833 173.358 176.094 0.162 0.000 1.157 397 V CA -2.565 59.755 62.300 0.033 0.000 1.041 397 V CB 0.986 32.815 31.823 0.010 0.000 1.071 397 V HN 0.628 nan 8.190 nan 0.000 0.441 398 P HA 0.396 nan 4.420 nan 0.000 0.264 398 P C 0.866 178.170 177.300 0.006 0.000 1.193 398 P CA 1.860 65.046 63.100 0.143 0.000 0.763 398 P CB 0.753 32.509 31.700 0.093 0.000 0.810 399 G N 1.687 110.446 108.800 -0.069 0.000 2.218 399 G HA2 -0.156 3.818 3.960 0.024 0.000 0.216 399 G HA3 -0.156 3.818 3.960 0.024 0.000 0.216 399 G C -0.248 174.563 174.900 -0.149 0.000 0.994 399 G CA -0.442 44.590 45.100 -0.113 0.000 0.637 399 G HN 0.439 nan 8.290 nan 0.000 0.505 400 L N 0.191 121.339 121.223 -0.125 0.000 2.319 400 L HA 0.912 5.266 4.340 0.024 0.000 0.267 400 L C -0.373 176.441 176.870 -0.094 0.000 1.011 400 L CA -1.031 53.713 54.840 -0.160 0.000 0.818 400 L CB 1.983 43.870 42.059 -0.287 0.000 1.316 400 L HN 0.106 nan 8.230 nan 0.000 0.432 401 D N -0.669 119.660 120.400 -0.119 0.000 2.692 401 D HA 0.460 5.114 4.640 0.024 0.000 0.303 401 D C -1.226 175.002 176.300 -0.121 0.000 1.278 401 D CA -0.360 53.526 54.000 -0.190 0.000 0.852 401 D CB 1.868 42.636 40.800 -0.054 0.000 1.375 401 D HN 0.111 nan 8.370 nan 0.000 0.453 402 F N -0.234 119.832 119.950 0.193 0.000 2.321 402 F HA 0.532 5.074 4.527 0.024 0.000 0.318 402 F C 1.438 177.247 175.800 0.016 0.000 1.129 402 F CA -0.276 57.760 58.000 0.061 0.000 1.074 402 F CB 1.205 40.215 39.000 0.016 0.000 1.432 402 F HN 0.204 nan 8.300 nan 0.000 0.502 403 T N -3.253 111.394 114.554 0.155 0.000 2.831 403 T HA 0.298 4.662 4.350 0.024 0.000 0.287 403 T C -0.021 174.713 174.700 0.056 0.000 1.070 403 T CA -0.984 61.192 62.100 0.126 0.000 1.010 403 T CB 1.129 70.058 68.868 0.102 0.000 1.264 403 T HN 0.341 nan 8.240 nan 0.000 0.532 404 N N 1.138 119.880 118.700 0.070 0.000 2.515 404 N HA 0.035 4.789 4.740 0.024 0.000 0.191 404 N C 0.117 175.635 175.510 0.013 0.000 1.182 404 N CA 0.135 53.205 53.050 0.034 0.000 0.879 404 N CB -0.505 38.020 38.487 0.062 0.000 0.984 404 N HN 0.682 nan 8.380 nan 0.000 0.453 405 D N 2.249 122.641 120.400 -0.014 0.000 2.662 405 D HA -0.094 4.560 4.640 0.024 0.000 0.237 405 D C -1.412 174.879 176.300 -0.016 0.000 1.154 405 D CA -0.731 53.276 54.000 0.011 0.000 0.861 405 D CB 1.174 41.916 40.800 -0.097 0.000 1.146 405 D HN 0.173 nan 8.370 nan 0.000 0.518 406 P HA -0.072 nan 4.420 nan 0.000 0.241 406 P C 1.438 178.756 177.300 0.029 0.000 1.191 406 P CA 0.015 63.133 63.100 0.030 0.000 0.771 406 P CB 0.493 32.213 31.700 0.034 0.000 0.929 407 L N -0.056 121.198 121.223 0.052 0.000 2.084 407 L HA 0.027 4.381 4.340 0.024 0.000 0.202 407 L C 2.398 179.179 176.870 -0.149 0.000 1.074 407 L CA 1.192 56.055 54.840 0.038 0.000 0.757 407 L CB -1.596 40.574 42.059 0.184 0.000 0.918 407 L HN -0.189 nan 8.230 nan 0.000 0.444 408 L N -0.283 120.672 121.223 -0.446 0.000 2.021 408 L HA -0.289 4.065 4.340 0.024 0.000 0.215 408 L C 2.492 179.106 176.870 -0.426 0.000 1.074 408 L CA 1.921 56.295 54.840 -0.776 0.000 0.760 408 L CB -0.874 40.463 42.059 -1.204 0.000 0.889 408 L HN 0.412 nan 8.230 nan 0.000 0.433 409 Q N -0.350 119.274 119.800 -0.293 0.000 2.061 409 Q HA -0.163 4.191 4.340 0.024 0.000 0.204 409 Q C 2.129 178.050 176.000 -0.132 0.000 0.984 409 Q CA 1.832 57.505 55.803 -0.216 0.000 0.846 409 Q CB -0.818 27.844 28.738 -0.126 0.000 0.902 409 Q HN 0.719 nan 8.270 nan 0.000 0.421 410 G N 0.434 109.191 108.800 -0.073 0.000 2.421 410 G HA2 -0.205 3.769 3.960 0.024 0.000 0.217 410 G HA3 -0.205 3.769 3.960 0.024 0.000 0.217 410 G C 1.517 176.442 174.900 0.041 0.000 1.143 410 G CA 0.143 45.250 45.100 0.011 0.000 0.784 410 G HN 0.242 nan 8.290 nan 0.000 0.541 411 R N -0.120 120.350 120.500 -0.051 0.000 2.105 411 R HA -0.008 4.346 4.340 0.024 0.000 0.239 411 R C 2.502 178.892 176.300 0.151 0.000 1.135 411 R CA 0.990 57.119 56.100 0.048 0.000 0.967 411 R CB -0.472 29.799 30.300 -0.047 0.000 0.861 411 R HN 0.349 nan 8.270 nan 0.000 0.442 412 L N -0.480 120.726 121.223 -0.030 0.000 2.127 412 L HA -0.202 4.152 4.340 0.024 0.000 0.211 412 L C 2.300 179.321 176.870 0.250 0.000 1.089 412 L CA 1.098 55.945 54.840 0.013 0.000 0.757 412 L CB -0.482 41.439 42.059 -0.229 0.000 0.899 412 L HN 0.151 nan 8.230 nan 0.000 0.434 413 F N 0.330 120.317 119.950 0.061 0.000 2.113 413 F HA -0.226 4.316 4.527 0.024 0.000 0.297 413 F C 2.830 178.674 175.800 0.074 0.000 1.103 413 F CA 1.690 59.723 58.000 0.055 0.000 1.248 413 F CB -0.278 38.733 39.000 0.019 0.000 0.999 413 F HN -0.025 nan 8.300 nan 0.000 0.475 414 S N -0.865 114.867 115.700 0.053 0.000 2.368 414 S HA -0.218 4.267 4.470 0.024 0.000 0.224 414 S C 2.032 176.505 174.600 -0.212 0.000 1.029 414 S CA 1.392 59.505 58.200 -0.145 0.000 0.988 414 S CB -0.796 62.343 63.200 -0.102 0.000 0.838 414 S HN 0.527 nan 8.310 nan 0.000 0.462 415 Y N 1.886 122.185 120.300 -0.002 0.000 2.439 415 Y HA -0.025 4.539 4.550 0.024 0.000 0.292 415 Y C 2.973 178.539 175.900 -0.557 0.000 1.130 415 Y CA 1.271 59.379 58.100 0.014 0.000 1.254 415 Y CB -0.484 38.984 38.460 1.680 0.000 1.000 415 Y HN 0.525 nan 8.280 nan 0.000 0.554 416 T N -2.892 111.268 114.554 -0.655 0.000 2.894 416 T HA -0.144 4.220 4.350 0.024 0.000 0.258 416 T C 1.572 176.062 174.700 -0.350 0.000 1.043 416 T CA 1.221 63.044 62.100 -0.461 0.000 1.141 416 T CB -0.509 68.159 68.868 -0.333 0.000 0.873 416 T HN 0.244 nan 8.240 nan 0.000 0.449 417 D N 1.392 121.518 120.400 -0.456 0.000 2.092 417 D HA -0.152 4.502 4.640 0.024 0.000 0.193 417 D C 2.286 178.419 176.300 -0.278 0.000 0.994 417 D CA 1.969 55.717 54.000 -0.421 0.000 0.828 417 D CB -0.869 39.477 40.800 -0.757 0.000 0.963 417 D HN 0.383 nan 8.370 nan 0.000 0.450 418 T N -1.024 113.360 114.554 -0.285 0.000 2.881 418 T HA -0.141 4.223 4.350 0.024 0.000 0.270 418 T C 1.603 176.172 174.700 -0.218 0.000 1.068 418 T CA 1.177 63.153 62.100 -0.207 0.000 1.131 418 T CB -0.245 68.502 68.868 -0.201 0.000 0.871 418 T HN 0.152 nan 8.240 nan 0.000 0.479 419 Q N 0.628 120.224 119.800 -0.340 0.000 2.364 419 Q HA 0.012 4.366 4.340 0.024 0.000 0.209 419 Q C 2.208 178.083 176.000 -0.208 0.000 0.977 419 Q CA 0.611 56.159 55.803 -0.426 0.000 0.885 419 Q CB -0.397 27.681 28.738 -1.101 0.000 0.941 419 Q HN 0.529 nan 8.270 nan 0.000 0.464 420 I N 0.815 121.315 120.570 -0.116 0.000 2.286 420 I HA -0.207 3.977 4.170 0.024 0.000 0.248 420 I C 2.303 178.414 176.117 -0.010 0.000 1.115 420 I CA 1.664 62.957 61.300 -0.012 0.000 1.392 420 I CB -1.303 36.699 38.000 0.003 0.000 1.065 420 I HN 0.196 nan 8.210 nan 0.000 0.418 421 S N 0.527 116.208 115.700 -0.032 0.000 2.404 421 S HA -0.086 4.398 4.470 0.024 0.000 0.223 421 S C 2.182 176.770 174.600 -0.020 0.000 1.040 421 S CA 0.225 58.416 58.200 -0.014 0.000 0.957 421 S CB -0.406 62.789 63.200 -0.008 0.000 0.826 421 S HN 0.291 nan 8.310 nan 0.000 0.491 422 R N 0.920 121.389 120.500 -0.052 0.000 2.083 422 R HA 0.119 4.473 4.340 0.024 0.000 0.237 422 R C 1.351 177.627 176.300 -0.040 0.000 1.137 422 R CA 1.577 57.647 56.100 -0.050 0.000 0.951 422 R CB -0.261 29.987 30.300 -0.087 0.000 0.851 422 R HN 0.460 nan 8.270 nan 0.000 0.434 423 L N -0.947 120.242 121.223 -0.057 0.000 2.857 423 L HA 0.329 4.683 4.340 0.024 0.000 0.249 423 L C 0.788 177.672 176.870 0.023 0.000 1.172 423 L CA 0.273 55.098 54.840 -0.025 0.000 0.980 423 L CB 1.238 43.271 42.059 -0.044 0.000 1.299 423 L HN 0.587 nan 8.230 nan 0.000 0.535 424 G N -0.041 108.772 108.800 0.023 0.000 2.179 424 G HA2 -0.121 3.853 3.960 0.024 0.000 0.260 424 G HA3 -0.121 3.853 3.960 0.024 0.000 0.260 424 G C 0.465 175.402 174.900 0.061 0.000 0.977 424 G CA 0.033 45.156 45.100 0.038 0.000 0.641 424 G HN 0.802 nan 8.290 nan 0.000 0.533 425 G N -1.583 107.272 108.800 0.092 0.000 2.356 425 G HA2 0.574 4.548 3.960 0.024 0.000 0.288 425 G HA3 0.574 4.548 3.960 0.024 0.000 0.288 425 G C -2.140 172.891 174.900 0.219 0.000 1.302 425 G CA 0.374 45.547 45.100 0.121 0.000 0.887 425 G HN 0.484 nan 8.290 nan 0.000 0.521 426 P HA 0.118 nan 4.420 nan 0.000 0.249 426 P C 0.325 177.638 177.300 0.022 0.000 1.229 426 P CA 0.367 63.560 63.100 0.156 0.000 0.788 426 P CB 0.191 31.944 31.700 0.089 0.000 1.072 427 N N 0.440 119.152 118.700 0.020 0.000 2.327 427 N HA 0.058 4.812 4.740 0.024 0.000 0.231 427 N C 1.022 176.380 175.510 -0.253 0.000 1.130 427 N CA -0.152 52.809 53.050 -0.148 0.000 0.845 427 N CB -0.604 37.828 38.487 -0.091 0.000 1.073 427 N HN 0.273 nan 8.380 nan 0.000 0.496 428 F N 0.715 120.636 119.950 -0.049 0.000 2.365 428 F HA -0.055 4.486 4.527 0.022 0.000 0.300 428 F C 2.260 177.984 175.800 -0.126 0.000 1.090 428 F CA 0.725 58.670 58.000 -0.092 0.000 1.408 428 F CB -0.795 38.172 39.000 -0.055 0.000 1.060 428 F HN 0.168 nan 8.300 nan 0.000 0.534 429 H N 0.565 119.263 119.070 -0.620 0.000 2.518 429 H HA -0.001 4.570 4.556 0.024 0.000 0.289 429 H C 0.875 176.035 175.328 -0.279 0.000 1.051 429 H CA 1.497 57.276 56.048 -0.449 0.000 1.280 429 H CB -0.751 28.601 29.762 -0.683 0.000 1.380 429 H HN 0.536 nan 8.280 nan 0.000 0.566 430 E N 0.959 120.727 120.200 -0.720 0.000 2.442 430 E HA 0.163 4.527 4.350 0.024 0.000 0.195 430 E C 0.429 176.903 176.600 -0.209 0.000 1.030 430 E CA -0.272 55.869 56.400 -0.432 0.000 0.869 430 E CB 0.456 29.908 29.700 -0.414 0.000 0.857 430 E HN 0.445 nan 8.360 nan 0.000 0.505 431 I N 2.851 123.318 120.570 -0.172 0.000 2.668 431 I HA -0.069 4.115 4.170 0.024 0.000 0.285 431 I C -1.598 174.451 176.117 -0.113 0.000 1.168 431 I CA -1.159 60.070 61.300 -0.118 0.000 1.424 431 I CB 0.454 38.398 38.000 -0.092 0.000 1.377 431 I HN -0.203 nan 8.210 nan 0.000 0.560 432 P HA -0.219 nan 4.420 nan 0.000 0.216 432 P C 1.782 179.002 177.300 -0.134 0.000 1.153 432 P CA 1.157 64.194 63.100 -0.105 0.000 0.858 432 P CB 0.178 31.823 31.700 -0.091 0.000 0.789 433 I N -0.546 119.916 120.570 -0.179 0.000 2.335 433 I HA -0.226 3.959 4.170 0.024 0.000 0.251 433 I C 1.317 177.359 176.117 -0.126 0.000 1.129 433 I CA 1.778 62.925 61.300 -0.256 0.000 1.402 433 I CB -0.566 37.163 38.000 -0.452 0.000 1.069 433 I HN -0.097 nan 8.210 nan 0.000 0.424 434 N N 0.667 119.308 118.700 -0.099 0.000 2.422 434 N HA 0.035 4.789 4.740 0.024 0.000 0.181 434 N C 0.246 175.760 175.510 0.006 0.000 1.080 434 N CA 0.212 53.233 53.050 -0.048 0.000 0.893 434 N CB -0.128 38.345 38.487 -0.023 0.000 0.973 434 N HN 0.385 nan 8.380 nan 0.000 0.456 435 R N 1.653 122.151 120.500 -0.003 0.000 2.570 435 R HA 0.123 4.477 4.340 0.024 0.000 0.277 435 R C -2.207 174.153 176.300 0.099 0.000 1.039 435 R CA -1.125 54.975 56.100 0.000 0.000 1.065 435 R CB -0.139 30.146 30.300 -0.026 0.000 0.964 435 R HN 0.041 nan 8.270 nan 0.000 0.428 436 P HA -0.021 nan 4.420 nan 0.000 0.269 436 P C 0.613 177.989 177.300 0.128 0.000 1.215 436 P CA 0.005 63.181 63.100 0.126 0.000 0.780 436 P CB 0.661 32.389 31.700 0.045 0.000 0.898 437 T N -1.870 112.779 114.554 0.159 0.000 3.054 437 T HA 0.239 4.603 4.350 0.024 0.000 0.259 437 T C 0.922 175.674 174.700 0.087 0.000 1.092 437 T CA 0.073 62.220 62.100 0.079 0.000 1.121 437 T CB -0.335 68.569 68.868 0.060 0.000 0.912 437 T HN 0.460 nan 8.240 nan 0.000 0.489 438 A N 2.913 125.798 122.820 0.108 0.000 2.386 438 A HA 0.563 4.897 4.320 0.024 0.000 0.248 438 A C -2.227 175.421 177.584 0.106 0.000 1.082 438 A CA -1.366 50.731 52.037 0.101 0.000 0.789 438 A CB -0.370 18.690 19.000 0.100 0.000 1.025 438 A HN 0.269 nan 8.150 nan 0.000 0.490 439 P HA 0.302 nan 4.420 nan 0.000 0.269 439 P C -1.089 176.291 177.300 0.133 0.000 1.209 439 P CA 0.611 63.786 63.100 0.125 0.000 0.776 439 P CB 0.152 31.976 31.700 0.206 0.000 0.876 440 Y N 0.848 121.030 120.300 -0.197 0.000 2.386 440 Y HA 0.668 5.232 4.550 0.023 0.000 0.334 440 Y C -1.441 174.133 175.900 -0.544 0.000 1.002 440 Y CA -0.907 57.062 58.100 -0.217 0.000 1.068 440 Y CB 1.395 39.755 38.460 -0.167 0.000 1.203 440 Y HN 0.441 nan 8.280 nan 0.000 0.443 441 H N 3.765 122.681 119.070 -0.257 0.000 2.947 441 H HA 0.544 5.115 4.556 0.024 0.000 0.354 441 H C -1.149 174.025 175.328 -0.256 0.000 1.085 441 H CA -0.775 55.044 56.048 -0.381 0.000 1.253 441 H CB 1.673 31.268 29.762 -0.278 0.000 1.757 441 H HN 0.895 nan 8.280 nan 0.000 0.523 442 N N 0.341 118.901 118.700 -0.233 0.000 3.517 442 N HA 0.190 4.945 4.740 0.024 0.000 0.329 442 N C -1.191 174.060 175.510 -0.431 0.000 1.569 442 N CA -0.893 51.986 53.050 -0.287 0.000 0.852 442 N CB 0.700 39.191 38.487 0.005 0.000 1.955 442 N HN 0.310 nan 8.380 nan 0.000 0.555 443 F N -0.358 119.627 119.950 0.059 0.000 2.639 443 F HA 0.385 4.926 4.527 0.023 0.000 0.302 443 F C 0.377 176.216 175.800 0.066 0.000 1.097 443 F CA -0.359 57.672 58.000 0.051 0.000 1.294 443 F CB 0.298 39.323 39.000 0.043 0.000 1.027 443 F HN 0.132 nan 8.300 nan 0.000 0.550 444 Q N 1.583 121.490 119.800 0.177 0.000 2.352 444 Q HA 0.414 4.768 4.340 0.024 0.000 0.260 444 Q C 0.034 176.109 176.000 0.126 0.000 0.976 444 Q CA -0.043 55.846 55.803 0.143 0.000 0.881 444 Q CB 1.042 29.843 28.738 0.106 0.000 1.235 444 Q HN 0.079 nan 8.270 nan 0.000 0.419 445 R N 1.613 122.181 120.500 0.114 0.000 2.799 445 R HA 0.370 4.724 4.340 0.024 0.000 0.270 445 R C -0.691 175.658 176.300 0.082 0.000 1.010 445 R CA -0.650 55.508 56.100 0.097 0.000 0.916 445 R CB 1.265 31.623 30.300 0.098 0.000 1.228 445 R HN 0.719 nan 8.270 nan 0.000 0.469 446 D N -0.258 120.182 120.400 0.067 0.000 3.455 446 D HA -0.151 4.503 4.640 0.024 0.000 0.216 446 D C 0.331 176.665 176.300 0.057 0.000 1.510 446 D CA 1.962 55.995 54.000 0.054 0.000 1.128 446 D CB -1.057 39.774 40.800 0.052 0.000 0.680 446 D HN 0.907 nan 8.370 nan 0.000 0.828 447 G N -1.416 107.415 108.800 0.053 0.000 2.712 447 G HA2 0.204 4.179 3.960 0.024 0.000 0.686 447 G HA3 0.204 4.179 3.960 0.024 0.000 0.686 447 G C -0.304 174.631 174.900 0.057 0.000 1.321 447 G CA 0.041 45.175 45.100 0.057 0.000 0.813 447 G HN 0.783 nan 8.290 nan 0.000 0.599 448 M N 1.091 120.731 119.600 0.065 0.000 2.249 448 M HA 0.482 4.976 4.480 0.024 0.000 0.340 448 M C 1.119 177.496 176.300 0.130 0.000 1.166 448 M CA 1.257 56.605 55.300 0.080 0.000 1.115 448 M CB -0.542 32.106 32.600 0.079 0.000 1.606 448 M HN 1.610 nan 8.290 nan 0.000 0.448 449 H N 0.864 119.938 119.070 0.007 0.000 2.626 449 H HA -0.203 4.367 4.556 0.022 0.000 0.317 449 H C -0.612 174.708 175.328 -0.014 0.000 1.140 449 H CA 0.600 56.648 56.048 -0.000 0.000 1.134 449 H CB -0.572 29.192 29.762 0.004 0.000 1.486 449 H HN 0.650 nan 8.280 nan 0.000 0.417 450 R N 1.416 121.950 120.500 0.057 0.000 2.421 450 R HA 0.030 4.385 4.340 0.024 0.000 0.305 450 R C 0.910 177.220 176.300 0.017 0.000 1.039 450 R CA 0.177 56.300 56.100 0.037 0.000 1.003 450 R CB 0.297 30.613 30.300 0.026 0.000 0.959 450 R HN 0.406 nan 8.270 nan 0.000 0.427 451 M N 2.787 122.408 119.600 0.035 0.000 2.556 451 M HA 0.220 4.714 4.480 0.024 0.000 0.259 451 M C 0.952 177.255 176.300 0.005 0.000 1.175 451 M CA 1.054 56.369 55.300 0.025 0.000 1.202 451 M CB -0.870 31.751 32.600 0.036 0.000 1.298 451 M HN 0.721 nan 8.290 nan 0.000 0.492 452 G N 2.024 110.831 108.800 0.011 0.000 2.313 452 G HA2 0.358 4.333 3.960 0.024 0.000 0.250 452 G HA3 0.358 4.333 3.960 0.024 0.000 0.250 452 G C -0.269 174.628 174.900 -0.005 0.000 1.281 452 G CA -0.349 44.752 45.100 0.001 0.000 0.917 452 G HN 0.342 nan 8.290 nan 0.000 0.501 453 I N 3.071 123.631 120.570 -0.016 0.000 2.282 453 I HA 0.078 4.262 4.170 0.024 0.000 0.290 453 I C -0.176 175.930 176.117 -0.018 0.000 1.090 453 I CA -0.543 60.750 61.300 -0.013 0.000 1.231 453 I CB 0.630 38.622 38.000 -0.013 0.000 1.434 453 I HN 0.351 nan 8.210 nan 0.000 0.487 454 D N 4.707 125.100 120.400 -0.012 0.000 2.417 454 D HA 0.028 4.682 4.640 0.024 0.000 0.250 454 D C 1.285 177.584 176.300 -0.003 0.000 1.166 454 D CA 0.374 54.364 54.000 -0.017 0.000 0.881 454 D CB 1.662 42.458 40.800 -0.006 0.000 1.164 454 D HN 0.553 nan 8.370 nan 0.000 0.467 455 T N -0.822 113.727 114.554 -0.009 0.000 3.040 455 T HA -0.054 4.310 4.350 0.024 0.000 0.250 455 T C 0.852 175.558 174.700 0.010 0.000 1.058 455 T CA -0.564 61.535 62.100 -0.001 0.000 0.988 455 T CB 0.184 69.045 68.868 -0.011 0.000 0.993 455 T HN 0.117 nan 8.240 nan 0.000 0.519 456 N N 3.398 122.104 118.700 0.010 0.000 2.359 456 N HA 0.081 4.836 4.740 0.024 0.000 0.261 456 N C -1.631 173.917 175.510 0.062 0.000 1.267 456 N CA -1.460 51.610 53.050 0.033 0.000 0.864 456 N CB 1.377 39.881 38.487 0.028 0.000 1.063 456 N HN 0.062 nan 8.380 nan 0.000 0.474 457 P HA -0.041 nan 4.420 nan 0.000 0.218 457 P C -0.544 176.819 177.300 0.105 0.000 1.148 457 P CA 1.024 64.170 63.100 0.077 0.000 0.822 457 P CB 0.184 31.925 31.700 0.068 0.000 0.784 458 A N 0.569 123.441 122.820 0.087 0.000 2.306 458 A HA 0.388 4.722 4.320 0.024 0.000 0.314 458 A C 0.497 178.191 177.584 0.184 0.000 1.164 458 A CA -0.624 51.420 52.037 0.011 0.000 0.822 458 A CB -0.044 18.805 19.000 -0.253 0.000 1.130 458 A HN 0.294 nan 8.150 nan 0.000 0.496 459 N N 0.293 119.137 118.700 0.241 0.000 2.351 459 N HA 0.346 5.100 4.740 0.024 0.000 0.254 459 N C -0.855 174.832 175.510 0.294 0.000 1.241 459 N CA -0.348 52.928 53.050 0.377 0.000 0.883 459 N CB 0.331 38.983 38.487 0.275 0.000 1.202 459 N HN 0.691 nan 8.380 nan 0.000 0.512 460 Y N -0.921 119.263 120.300 -0.193 0.000 2.625 460 Y HA 0.673 5.237 4.550 0.023 0.000 0.338 460 Y C -1.492 173.753 175.900 -1.092 0.000 1.123 460 Y CA -1.388 56.389 58.100 -0.539 0.000 1.046 460 Y CB 1.024 39.345 38.460 -0.232 0.000 1.299 460 Y HN 0.060 nan 8.280 nan 0.000 0.464 461 E N 0.862 120.525 120.200 -0.895 0.000 2.356 461 E HA 0.673 5.037 4.350 0.024 0.000 0.275 461 E C -3.167 173.321 176.600 -0.186 0.000 0.904 461 E CA -2.012 54.007 56.400 -0.634 0.000 0.757 461 E CB 1.785 31.062 29.700 -0.705 0.000 1.232 461 E HN 0.556 nan 8.360 nan 0.000 0.442 462 P HA 0.319 nan 4.420 nan 0.000 0.278 462 P C -1.312 175.938 177.300 -0.083 0.000 1.238 462 P CA -0.543 62.489 63.100 -0.113 0.000 0.794 462 P CB 0.580 32.249 31.700 -0.051 0.000 0.955 463 N N -1.559 117.017 118.700 -0.205 0.000 2.242 463 N HA 0.339 5.093 4.740 0.024 0.000 0.292 463 N C 0.237 175.698 175.510 -0.083 0.000 1.125 463 N CA -0.765 52.168 53.050 -0.196 0.000 0.783 463 N CB 1.477 39.540 38.487 -0.707 0.000 1.558 463 N HN 0.182 nan 8.380 nan 0.000 0.472 464 S N 0.729 116.432 115.700 0.004 0.000 2.497 464 S HA 0.005 4.489 4.470 0.024 0.000 0.218 464 S C 1.511 176.124 174.600 0.021 0.000 1.023 464 S CA 0.002 58.205 58.200 0.005 0.000 0.913 464 S CB -0.772 62.442 63.200 0.025 0.000 0.800 464 S HN 0.713 nan 8.310 nan 0.000 0.505 465 I N -0.777 119.814 120.570 0.035 0.000 3.001 465 I HA 0.247 4.431 4.170 0.024 0.000 0.268 465 I C 1.224 177.372 176.117 0.052 0.000 1.267 465 I CA 1.088 62.420 61.300 0.054 0.000 1.472 465 I CB -0.377 37.675 38.000 0.087 0.000 1.089 465 I HN 0.157 nan 8.210 nan 0.000 0.468 466 N N 1.253 119.980 118.700 0.046 0.000 2.351 466 N HA 0.041 4.795 4.740 0.024 0.000 0.254 466 N C -0.081 175.530 175.510 0.168 0.000 1.241 466 N CA -0.042 53.075 53.050 0.112 0.000 0.883 466 N CB -0.017 38.551 38.487 0.135 0.000 1.202 466 N HN 0.197 nan 8.380 nan 0.000 0.512 467 D N 0.677 121.124 120.400 0.079 0.000 2.751 467 D HA -0.259 4.395 4.640 0.024 0.000 0.233 467 D C -0.104 176.073 176.300 -0.205 0.000 1.149 467 D CA 1.023 55.028 54.000 0.008 0.000 0.682 467 D CB -1.355 39.529 40.800 0.139 0.000 1.068 467 D HN 0.477 nan 8.370 nan 0.000 0.429 468 N N -1.692 116.928 118.700 -0.134 0.000 2.753 468 N HA -0.247 4.507 4.740 0.024 0.000 0.251 468 N C -0.848 174.580 175.510 -0.137 0.000 1.097 468 N CA 1.410 54.355 53.050 -0.177 0.000 0.786 468 N CB -1.285 37.053 38.487 -0.248 0.000 1.137 468 N HN 0.544 nan 8.380 nan 0.000 0.566 469 W N 0.885 122.235 121.300 0.084 0.000 2.381 469 W HA 0.452 5.125 4.660 0.023 0.000 0.329 469 W C -1.670 174.868 176.519 0.033 0.000 1.157 469 W CA -1.663 55.707 57.345 0.041 0.000 1.240 469 W CB 0.725 30.161 29.460 -0.040 0.000 1.199 469 W HN -0.036 nan 8.180 nan 0.000 0.579 470 P HA 0.222 nan 4.420 nan 0.000 0.277 470 P C -0.737 176.691 177.300 0.213 0.000 1.240 470 P CA -0.232 62.999 63.100 0.218 0.000 0.798 470 P CB 1.014 32.684 31.700 -0.048 0.000 0.979 471 R N 1.015 121.626 120.500 0.185 0.000 2.532 471 R HA 0.296 4.650 4.340 0.024 0.000 0.295 471 R C 0.328 176.664 176.300 0.060 0.000 0.968 471 R CA -0.795 55.298 56.100 -0.011 0.000 0.916 471 R CB 1.181 31.277 30.300 -0.339 0.000 1.124 471 R HN 0.498 nan 8.270 nan 0.000 0.463 472 E N 0.782 121.010 120.200 0.046 0.000 2.459 472 E HA -0.035 4.329 4.350 0.024 0.000 0.264 472 E C -0.513 176.112 176.600 0.041 0.000 1.055 472 E CA 0.852 57.285 56.400 0.055 0.000 0.957 472 E CB 0.511 30.232 29.700 0.035 0.000 0.952 472 E HN 0.367 nan 8.360 nan 0.000 0.448 473 T N 3.365 117.953 114.554 0.057 0.000 2.879 473 T HA 0.324 4.688 4.350 0.024 0.000 0.290 473 T C -2.449 172.276 174.700 0.041 0.000 0.993 473 T CA -1.499 60.632 62.100 0.052 0.000 0.975 473 T CB 1.530 70.441 68.868 0.071 0.000 0.981 473 T HN 0.234 nan 8.240 nan 0.000 0.439 474 P HA 0.156 nan 4.420 nan 0.000 0.267 474 P C -2.330 174.977 177.300 0.012 0.000 1.201 474 P CA -0.945 62.163 63.100 0.013 0.000 0.775 474 P CB -0.204 31.500 31.700 0.006 0.000 0.854 475 P HA 0.267 nan 4.420 nan 0.000 0.272 475 P C -0.083 177.207 177.300 -0.017 0.000 1.230 475 P CA 0.278 63.365 63.100 -0.022 0.000 0.788 475 P CB 0.776 32.443 31.700 -0.055 0.000 0.949 476 G N 0.418 109.206 108.800 -0.020 0.000 2.430 476 G HA2 0.358 4.332 3.960 0.024 0.000 0.300 476 G HA3 0.358 4.332 3.960 0.024 0.000 0.300 476 G C -2.589 172.301 174.900 -0.016 0.000 1.330 476 G CA -0.699 44.393 45.100 -0.013 0.000 0.813 476 G HN 0.170 nan 8.290 nan 0.000 0.487 477 P HA 0.119 nan 4.420 nan 0.000 0.223 477 P C 0.129 177.425 177.300 -0.007 0.000 1.151 477 P CA 1.076 64.167 63.100 -0.014 0.000 0.787 477 P CB 0.377 32.071 31.700 -0.010 0.000 0.788 478 K N -0.796 119.607 120.400 0.004 0.000 2.546 478 K HA 0.274 4.608 4.320 0.024 0.000 0.264 478 K C -0.053 176.563 176.600 0.026 0.000 0.937 478 K CA -0.845 55.452 56.287 0.015 0.000 0.833 478 K CB 2.219 34.730 32.500 0.018 0.000 1.378 478 K HN -0.316 nan 8.250 nan 0.000 0.432 479 R N -0.639 119.884 120.500 0.039 0.000 3.847 479 R HA -0.156 4.198 4.340 0.024 0.000 0.304 479 R C 0.154 176.484 176.300 0.050 0.000 1.203 479 R CA 1.081 57.211 56.100 0.049 0.000 0.835 479 R CB -2.250 28.079 30.300 0.048 0.000 1.253 479 R HN 0.941 nan 8.270 nan 0.000 0.516 480 G N -0.631 108.194 108.800 0.041 0.000 2.502 480 G HA2 0.577 4.551 3.960 0.024 0.000 0.305 480 G HA3 0.577 4.551 3.960 0.024 0.000 0.305 480 G C 0.417 175.352 174.900 0.058 0.000 1.190 480 G CA 0.099 45.222 45.100 0.038 0.000 0.933 480 G HN 0.249 nan 8.290 nan 0.000 0.503 481 G N -1.208 107.628 108.800 0.059 0.000 2.569 481 G HA2 0.391 4.366 3.960 0.024 0.000 0.249 481 G HA3 0.391 4.366 3.960 0.024 0.000 0.249 481 G C -0.611 174.347 174.900 0.096 0.000 1.216 481 G CA -0.530 44.627 45.100 0.094 0.000 0.845 481 G HN 0.456 nan 8.290 nan 0.000 0.568 482 F N 0.467 120.432 119.950 0.026 0.000 2.456 482 F HA 0.389 4.931 4.527 0.024 0.000 0.358 482 F C 0.550 176.366 175.800 0.025 0.000 1.095 482 F CA -0.162 57.849 58.000 0.019 0.000 1.216 482 F CB 0.876 39.890 39.000 0.023 0.000 1.125 482 F HN 0.443 nan 8.300 nan 0.000 0.549 483 E N 3.978 123.834 120.200 -0.574 0.000 2.256 483 E HA 0.303 4.667 4.350 0.024 0.000 0.268 483 E C -1.126 175.143 176.600 -0.553 0.000 0.877 483 E CA -0.782 55.418 56.400 -0.334 0.000 0.757 483 E CB 1.628 31.217 29.700 -0.186 0.000 1.183 483 E HN 0.617 nan 8.360 nan 0.000 0.418 484 S N 2.417 118.007 115.700 -0.184 0.000 2.572 484 S HA 0.009 4.493 4.470 0.024 0.000 0.279 484 S C -0.551 174.025 174.600 -0.041 0.000 1.341 484 S CA -0.317 57.855 58.200 -0.047 0.000 1.043 484 S CB 0.137 63.435 63.200 0.162 0.000 0.887 484 S HN 0.458 nan 8.310 nan 0.000 0.516 485 Y N 2.404 122.633 120.300 -0.119 0.000 2.610 485 Y HA -0.005 4.559 4.550 0.023 0.000 0.332 485 Y C 0.862 176.739 175.900 -0.038 0.000 1.201 485 Y CA 0.207 58.250 58.100 -0.095 0.000 1.465 485 Y CB 0.242 38.644 38.460 -0.095 0.000 1.283 485 Y HN 0.582 nan 8.280 nan 0.000 0.563 486 Q N 5.235 124.640 119.800 -0.658 0.000 3.247 486 Q HA 0.033 4.387 4.340 0.024 0.000 0.326 486 Q C -0.288 175.408 176.000 -0.506 0.000 1.402 486 Q CA -0.068 55.469 55.803 -0.444 0.000 0.994 486 Q CB -0.126 28.420 28.738 -0.319 0.000 1.647 486 Q HN 0.642 nan 8.270 nan 0.000 0.523 487 E N 1.475 121.467 120.200 -0.346 0.000 2.392 487 E HA 0.025 4.389 4.350 0.024 0.000 0.264 487 E C -0.327 176.242 176.600 -0.052 0.000 1.024 487 E CA -0.366 55.959 56.400 -0.125 0.000 0.903 487 E CB 0.724 30.501 29.700 0.129 0.000 0.963 487 E HN 0.249 nan 8.360 nan 0.000 0.432 488 R N 2.971 123.465 120.500 -0.010 0.000 2.389 488 R HA 0.215 4.569 4.340 0.024 0.000 0.295 488 R C -1.265 175.058 176.300 0.039 0.000 1.075 488 R CA -0.366 55.739 56.100 0.008 0.000 1.005 488 R CB 0.689 31.000 30.300 0.019 0.000 0.987 488 R HN 0.287 nan 8.270 nan 0.000 0.452 489 V N 4.413 124.342 119.914 0.026 0.000 2.495 489 V HA 0.428 4.563 4.120 0.024 0.000 0.298 489 V C -0.402 175.706 176.094 0.022 0.000 1.031 489 V CA -0.571 61.748 62.300 0.032 0.000 0.871 489 V CB 1.553 33.392 31.823 0.027 0.000 0.988 489 V HN 0.837 nan 8.190 nan 0.000 0.432 490 E N 2.458 122.672 120.200 0.024 0.000 2.343 490 E HA 0.629 4.993 4.350 0.024 0.000 0.286 490 E C -0.593 176.012 176.600 0.008 0.000 0.915 490 E CA -0.160 56.248 56.400 0.013 0.000 0.784 490 E CB 2.212 31.921 29.700 0.014 0.000 1.251 490 E HN 1.021 nan 8.360 nan 0.000 0.407 491 G N 2.800 111.600 108.800 0.000 0.000 2.328 491 G HA2 0.081 4.055 3.960 0.024 0.000 0.299 491 G HA3 0.081 4.055 3.960 0.024 0.000 0.299 491 G C -1.472 173.422 174.900 -0.010 0.000 1.435 491 G CA -0.951 44.145 45.100 -0.006 0.000 0.865 491 G HN 0.384 nan 8.290 nan 0.000 0.601 492 N N 0.049 118.739 118.700 -0.015 0.000 2.495 492 N HA 0.370 5.125 4.740 0.024 0.000 0.280 492 N C -0.080 175.417 175.510 -0.022 0.000 1.168 492 N CA -0.351 52.689 53.050 -0.017 0.000 0.978 492 N CB 1.131 39.606 38.487 -0.019 0.000 1.191 492 N HN 0.490 nan 8.380 nan 0.000 0.497 493 K N 0.825 121.212 120.400 -0.023 0.000 2.351 493 K HA 0.168 4.502 4.320 0.024 0.000 0.287 493 K C -0.369 176.209 176.600 -0.036 0.000 1.068 493 K CA -0.110 56.160 56.287 -0.029 0.000 0.998 493 K CB -0.167 32.317 32.500 -0.027 0.000 0.968 493 K HN 0.327 nan 8.250 nan 0.000 0.464 494 V N 0.298 120.186 119.914 -0.044 0.000 2.962 494 V HA 0.494 4.629 4.120 0.024 0.000 0.313 494 V C -0.466 175.588 176.094 -0.066 0.000 1.099 494 V CA -1.366 60.904 62.300 -0.051 0.000 0.971 494 V CB 2.053 33.847 31.823 -0.048 0.000 1.028 494 V HN 0.598 nan 8.190 nan 0.000 0.430 495 R N 2.066 122.524 120.500 -0.071 0.000 2.346 495 R HA 0.621 4.975 4.340 0.024 0.000 0.309 495 R C -0.595 175.659 176.300 -0.076 0.000 1.119 495 R CA -0.148 55.898 56.100 -0.090 0.000 1.112 495 R CB 0.894 31.128 30.300 -0.109 0.000 1.132 495 R HN 0.941 nan 8.270 nan 0.000 0.538 496 E N 2.092 122.243 120.200 -0.082 0.000 2.321 496 E HA 0.217 4.582 4.350 0.024 0.000 0.281 496 E C -1.302 175.231 176.600 -0.111 0.000 0.910 496 E CA -0.967 55.387 56.400 -0.077 0.000 0.770 496 E CB 1.567 31.226 29.700 -0.067 0.000 1.225 496 E HN 0.135 nan 8.360 nan 0.000 0.417 497 R N 1.748 122.187 120.500 -0.103 0.000 2.390 497 R HA 0.243 4.597 4.340 0.024 0.000 0.291 497 R C -0.508 175.674 176.300 -0.197 0.000 1.070 497 R CA 0.061 56.058 56.100 -0.171 0.000 1.014 497 R CB 1.242 31.502 30.300 -0.067 0.000 1.007 497 R HN 0.391 nan 8.270 nan 0.000 0.466 498 S N 4.523 119.995 115.700 -0.379 0.000 2.549 498 S HA 0.101 4.586 4.470 0.024 0.000 0.286 498 S C -1.557 173.014 174.600 -0.049 0.000 1.314 498 S CA -1.164 56.900 58.200 -0.228 0.000 1.062 498 S CB 0.660 63.671 63.200 -0.315 0.000 0.865 498 S HN 0.532 nan 8.310 nan 0.000 0.498 499 P HA -0.102 nan 4.420 nan 0.000 0.219 499 P C 1.473 178.821 177.300 0.080 0.000 1.146 499 P CA 1.177 64.297 63.100 0.033 0.000 0.808 499 P CB -0.042 31.667 31.700 0.015 0.000 0.779 500 S N -2.145 113.640 115.700 0.142 0.000 2.474 500 S HA -0.097 4.387 4.470 0.024 0.000 0.235 500 S C 1.428 176.195 174.600 0.277 0.000 0.997 500 S CA 0.808 59.128 58.200 0.199 0.000 0.949 500 S CB -1.307 62.044 63.200 0.252 0.000 0.766 500 S HN -0.015 nan 8.310 nan 0.000 0.517 501 F N 2.300 122.247 119.950 -0.004 0.000 2.797 501 F HA 0.394 4.935 4.527 0.023 0.000 0.302 501 F C 1.948 177.701 175.800 -0.078 0.000 1.130 501 F CA -0.883 57.114 58.000 -0.005 0.000 1.387 501 F CB -0.588 38.438 39.000 0.043 0.000 1.107 501 F HN 0.352 nan 8.300 nan 0.000 0.577 502 G N 0.403 109.211 108.800 0.013 0.000 3.471 502 G HA2 0.078 4.052 3.960 0.024 0.000 0.254 502 G HA3 0.078 4.052 3.960 0.024 0.000 0.254 502 G C 0.006 174.492 174.900 -0.690 0.000 1.199 502 G CA 0.147 45.082 45.100 -0.276 0.000 1.683 502 G HN 0.054 nan 8.290 nan 0.000 0.625 503 E N -0.032 119.699 120.200 -0.782 0.000 2.278 503 E HA 0.340 4.704 4.350 0.024 0.000 0.272 503 E C -0.907 175.322 176.600 -0.618 0.000 0.890 503 E CA -0.740 55.277 56.400 -0.639 0.000 0.770 503 E CB 1.574 31.142 29.700 -0.220 0.000 1.212 503 E HN 0.187 nan 8.360 nan 0.000 0.415 504 Y N 2.469 122.581 120.300 -0.314 0.000 2.432 504 Y HA 0.199 4.764 4.550 0.024 0.000 0.252 504 Y C 0.782 176.416 175.900 -0.444 0.000 1.097 504 Y CA -0.108 57.706 58.100 -0.477 0.000 1.250 504 Y CB 0.395 38.421 38.460 -0.723 0.000 1.245 504 Y HN 0.425 nan 8.280 nan 0.000 0.522 505 Y N -1.964 118.428 120.300 0.153 0.000 2.483 505 Y HA 0.177 4.742 4.550 0.024 0.000 0.258 505 Y C 2.246 178.216 175.900 0.115 0.000 1.083 505 Y CA 0.191 58.374 58.100 0.139 0.000 1.283 505 Y CB -0.140 38.403 38.460 0.138 0.000 1.178 505 Y HN -0.139 nan 8.280 nan 0.000 0.515 506 S N -0.400 115.443 115.700 0.237 0.000 2.368 506 S HA -0.178 4.306 4.470 0.024 0.000 0.224 506 S C 1.485 176.169 174.600 0.139 0.000 1.029 506 S CA 1.631 59.952 58.200 0.201 0.000 0.988 506 S CB -0.275 63.053 63.200 0.212 0.000 0.838 506 S HN 0.489 nan 8.310 nan 0.000 0.462 507 H N 1.185 120.186 119.070 -0.115 0.000 2.357 507 H HA 0.051 4.622 4.556 0.024 0.000 0.301 507 H C -0.636 174.502 175.328 -0.317 0.000 1.082 507 H CA 1.073 56.907 56.048 -0.356 0.000 1.342 507 H CB -1.699 27.635 29.762 -0.714 0.000 1.389 507 H HN 0.306 nan 8.280 nan 0.000 0.511 508 P HA -0.190 nan 4.420 nan 0.000 0.215 508 P C 1.524 179.008 177.300 0.307 0.000 1.157 508 P CA 1.781 65.030 63.100 0.249 0.000 0.874 508 P CB 0.076 31.954 31.700 0.297 0.000 0.790 509 R N -0.481 120.154 120.500 0.225 0.000 2.075 509 R HA -0.125 4.229 4.340 0.024 0.000 0.232 509 R C 2.170 178.599 176.300 0.216 0.000 1.126 509 R CA 1.131 57.367 56.100 0.227 0.000 0.963 509 R CB -1.091 29.305 30.300 0.160 0.000 0.858 509 R HN 0.054 nan 8.270 nan 0.000 0.435 510 L N 0.510 121.798 121.223 0.108 0.000 2.079 510 L HA -0.153 4.202 4.340 0.024 0.000 0.210 510 L C 1.929 178.859 176.870 0.100 0.000 1.081 510 L CA 1.737 56.603 54.840 0.043 0.000 0.752 510 L CB -0.655 41.345 42.059 -0.098 0.000 0.896 510 L HN 0.251 nan 8.230 nan 0.000 0.433 511 F N -0.946 119.028 119.950 0.040 0.000 2.084 511 F HA -0.241 4.301 4.527 0.024 0.000 0.296 511 F C 2.329 178.132 175.800 0.004 0.000 1.111 511 F CA 1.992 60.001 58.000 0.014 0.000 1.224 511 F CB -0.657 38.389 39.000 0.076 0.000 0.991 511 F HN 0.356 nan 8.300 nan 0.000 0.471 512 W N 1.503 122.814 121.300 0.018 0.000 2.318 512 W HA -0.264 4.410 4.660 0.023 0.000 0.313 512 W C 1.685 178.088 176.519 -0.193 0.000 1.221 512 W CA 1.891 59.181 57.345 -0.090 0.000 1.266 512 W CB -0.762 28.733 29.460 0.059 0.000 1.150 512 W HN 0.104 nan 8.180 nan 0.000 0.496 513 L N 1.109 122.265 121.223 -0.111 0.000 2.376 513 L HA -0.148 4.206 4.340 0.024 0.000 0.219 513 L C 2.354 179.035 176.870 -0.315 0.000 1.133 513 L CA 1.053 55.757 54.840 -0.228 0.000 0.816 513 L CB -0.636 41.417 42.059 -0.010 0.000 0.933 513 L HN -0.145 nan 8.230 nan 0.000 0.449 514 S N -1.417 114.075 115.700 -0.347 0.000 2.558 514 S HA 0.048 4.533 4.470 0.024 0.000 0.217 514 S C 0.717 175.027 174.600 -0.484 0.000 0.975 514 S CA 0.152 58.141 58.200 -0.351 0.000 0.912 514 S CB 0.022 63.046 63.200 -0.293 0.000 0.776 514 S HN 0.289 nan 8.310 nan 0.000 0.526 515 Q N 2.101 121.506 119.800 -0.658 0.000 2.227 515 Q HA 0.319 4.673 4.340 0.024 0.000 0.245 515 Q C 0.561 176.155 176.000 -0.677 0.000 0.926 515 Q CA -0.158 55.211 55.803 -0.724 0.000 0.895 515 Q CB 0.716 28.947 28.738 -0.845 0.000 1.230 515 Q HN 0.418 nan 8.270 nan 0.000 0.450 516 T N -1.798 112.310 114.554 -0.743 0.000 2.766 516 T HA 0.170 4.535 4.350 0.024 0.000 0.295 516 T C -1.771 172.448 174.700 -0.801 0.000 1.024 516 T CA -1.259 60.360 62.100 -0.802 0.000 1.018 516 T CB 0.312 68.401 68.868 -1.299 0.000 1.002 516 T HN 0.222 nan 8.240 nan 0.000 0.532 517 P HA 0.013 nan 4.420 nan 0.000 0.217 517 P C 1.450 178.548 177.300 -0.337 0.000 1.150 517 P CA 0.855 63.732 63.100 -0.371 0.000 0.832 517 P CB -0.256 31.349 31.700 -0.159 0.000 0.787 518 F N 0.327 120.096 119.950 -0.301 0.000 2.171 518 F HA -0.064 4.477 4.527 0.024 0.000 0.300 518 F C 1.808 177.268 175.800 -0.566 0.000 1.090 518 F CA 1.096 58.854 58.000 -0.404 0.000 1.293 518 F CB -1.749 36.997 39.000 -0.422 0.000 1.013 518 F HN -0.088 nan 8.300 nan 0.000 0.486 519 E N 0.461 120.087 120.200 -0.957 0.000 2.077 519 E HA -0.217 4.147 4.350 0.024 0.000 0.193 519 E C 2.243 178.642 176.600 -0.335 0.000 0.989 519 E CA 1.476 57.533 56.400 -0.572 0.000 0.800 519 E CB -0.321 28.994 29.700 -0.643 0.000 0.746 519 E HN 0.637 nan 8.360 nan 0.000 0.452 520 Q N 0.328 119.846 119.800 -0.469 0.000 2.084 520 Q HA -0.211 4.143 4.340 0.024 0.000 0.202 520 Q C 2.256 178.280 176.000 0.041 0.000 0.978 520 Q CA 1.286 56.849 55.803 -0.399 0.000 0.844 520 Q CB -0.168 28.073 28.738 -0.830 0.000 0.898 520 Q HN 0.004 nan 8.270 nan 0.000 0.426 521 R N 0.607 121.112 120.500 0.008 0.000 2.096 521 R HA -0.180 4.174 4.340 0.024 0.000 0.240 521 R C 1.654 178.146 176.300 0.320 0.000 1.139 521 R CA 2.017 58.219 56.100 0.170 0.000 0.952 521 R CB -0.572 29.804 30.300 0.128 0.000 0.854 521 R HN 0.498 nan 8.270 nan 0.000 0.436 522 H N -0.922 118.245 119.070 0.163 0.000 2.423 522 H HA -0.013 4.557 4.556 0.024 0.000 0.297 522 H C 2.059 177.512 175.328 0.210 0.000 1.075 522 H CA 1.114 57.277 56.048 0.192 0.000 1.342 522 H CB 0.019 29.899 29.762 0.197 0.000 1.395 522 H HN 0.195 nan 8.280 nan 0.000 0.530 523 I N 0.186 120.981 120.570 0.375 0.000 2.179 523 I HA -0.261 3.923 4.170 0.024 0.000 0.242 523 I C 2.345 178.773 176.117 0.518 0.000 1.088 523 I CA 0.815 62.379 61.300 0.439 0.000 1.357 523 I CB -0.169 38.184 38.000 0.588 0.000 1.051 523 I HN 0.071 nan 8.210 nan 0.000 0.409 524 V N 0.874 121.078 119.914 0.484 0.000 2.324 524 V HA -0.335 3.799 4.120 0.024 0.000 0.250 524 V C 2.009 178.288 176.094 0.308 0.000 1.060 524 V CA 2.145 64.672 62.300 0.378 0.000 1.042 524 V CB -0.659 31.342 31.823 0.296 0.000 0.650 524 V HN 0.424 nan 8.190 nan 0.000 0.450 525 D N 0.155 120.721 120.400 0.276 0.000 2.183 525 D HA -0.059 4.595 4.640 0.024 0.000 0.203 525 D C 2.154 178.547 176.300 0.155 0.000 0.969 525 D CA 1.393 55.520 54.000 0.213 0.000 0.842 525 D CB -0.501 40.428 40.800 0.215 0.000 0.957 525 D HN 0.470 nan 8.370 nan 0.000 0.484 526 G N 0.044 108.924 108.800 0.133 0.000 2.414 526 G HA2 -0.241 3.733 3.960 0.024 0.000 0.215 526 G HA3 -0.241 3.733 3.960 0.024 0.000 0.215 526 G C 1.425 176.332 174.900 0.012 0.000 1.188 526 G CA 0.132 45.220 45.100 -0.021 0.000 0.783 526 G HN 0.161 nan 8.290 nan 0.000 0.537 527 F N 1.901 121.897 119.950 0.076 0.000 2.161 527 F HA -0.100 4.441 4.527 0.024 0.000 0.300 527 F C 3.135 178.844 175.800 -0.151 0.000 1.089 527 F CA 1.614 59.586 58.000 -0.046 0.000 1.282 527 F CB -0.260 38.728 39.000 -0.020 0.000 1.010 527 F HN 0.091 nan 8.300 nan 0.000 0.485 528 S N -0.315 115.481 115.700 0.160 0.000 2.355 528 S HA -0.177 4.308 4.470 0.024 0.000 0.222 528 S C 1.866 176.463 174.600 -0.006 0.000 1.031 528 S CA 1.103 59.337 58.200 0.056 0.000 0.993 528 S CB -0.751 62.507 63.200 0.097 0.000 0.859 528 S HN 0.404 nan 8.310 nan 0.000 0.453 529 F N 2.692 122.595 119.950 -0.078 0.000 2.075 529 F HA -0.104 4.437 4.527 0.023 0.000 0.297 529 F C 2.380 178.105 175.800 -0.125 0.000 1.113 529 F CA 1.514 59.454 58.000 -0.100 0.000 1.218 529 F CB -0.294 38.573 39.000 -0.221 0.000 0.984 529 F HN 0.112 nan 8.300 nan 0.000 0.472 530 E N 0.696 120.816 120.200 -0.133 0.000 2.058 530 E HA -0.236 4.129 4.350 0.024 0.000 0.194 530 E C 2.360 178.723 176.600 -0.395 0.000 0.997 530 E CA 1.754 58.043 56.400 -0.185 0.000 0.801 530 E CB -0.632 29.118 29.700 0.084 0.000 0.746 530 E HN 0.485 nan 8.360 nan 0.000 0.450 531 L N 1.421 122.337 121.223 -0.511 0.000 2.265 531 L HA -0.142 4.213 4.340 0.024 0.000 0.215 531 L C 2.712 179.398 176.870 -0.308 0.000 1.117 531 L CA 1.110 55.646 54.840 -0.506 0.000 0.782 531 L CB -0.449 41.351 42.059 -0.432 0.000 0.914 531 L HN 0.152 nan 8.230 nan 0.000 0.441 532 S N -0.860 114.665 115.700 -0.291 0.000 2.453 532 S HA -0.094 4.390 4.470 0.024 0.000 0.231 532 S C 1.768 176.232 174.600 -0.227 0.000 1.005 532 S CA 0.513 58.573 58.200 -0.234 0.000 0.949 532 S CB -0.058 63.008 63.200 -0.224 0.000 0.774 532 S HN 0.234 nan 8.310 nan 0.000 0.510 533 K N 1.318 121.555 120.400 -0.273 0.000 2.444 533 K HA 0.342 4.676 4.320 0.024 0.000 0.193 533 K C -0.109 176.476 176.600 -0.024 0.000 1.024 533 K CA -0.041 56.160 56.287 -0.143 0.000 1.077 533 K CB -0.119 32.293 32.500 -0.148 0.000 0.833 533 K HN 0.325 nan 8.250 nan 0.000 0.517 534 V N 2.023 121.898 119.914 -0.066 0.000 2.408 534 V HA 0.022 4.157 4.120 0.024 0.000 0.267 534 V C 1.633 177.703 176.094 -0.039 0.000 1.047 534 V CA -0.128 62.159 62.300 -0.021 0.000 0.937 534 V CB 1.379 33.152 31.823 -0.083 0.000 0.999 534 V HN -0.137 nan 8.190 nan 0.000 0.472 535 V N 5.148 125.063 119.914 0.001 0.000 2.488 535 V HA -0.012 4.122 4.120 0.024 0.000 0.246 535 V C 1.341 177.418 176.094 -0.030 0.000 1.046 535 V CA 1.166 63.466 62.300 0.001 0.000 1.053 535 V CB -0.406 31.436 31.823 0.032 0.000 0.679 535 V HN 0.741 nan 8.190 nan 0.000 0.458 536 R N 0.993 121.450 120.500 -0.071 0.000 2.242 536 R HA 0.163 4.517 4.340 0.024 0.000 0.334 536 R C -1.688 174.491 176.300 -0.203 0.000 1.071 536 R CA -1.337 54.692 56.100 -0.119 0.000 0.922 536 R CB 0.659 30.811 30.300 -0.247 0.000 1.023 536 R HN 0.253 nan 8.270 nan 0.000 0.458 537 P HA -0.187 nan 4.420 nan 0.000 0.218 537 P C 0.733 177.991 177.300 -0.070 0.000 1.149 537 P CA 1.065 64.130 63.100 -0.059 0.000 0.817 537 P CB -0.008 31.695 31.700 0.006 0.000 0.785 538 Y N -1.098 119.201 120.300 -0.001 0.000 2.256 538 Y HA -0.141 4.423 4.550 0.024 0.000 0.288 538 Y C 1.945 177.850 175.900 0.009 0.000 1.155 538 Y CA 0.851 58.952 58.100 0.001 0.000 1.203 538 Y CB -1.811 36.650 38.460 0.002 0.000 0.980 538 Y HN -0.106 nan 8.280 nan 0.000 0.530 539 I N 0.810 120.965 120.570 -0.691 0.000 2.202 539 I HA -0.244 3.940 4.170 0.024 0.000 0.242 539 I C 2.576 178.602 176.117 -0.152 0.000 1.091 539 I CA 1.410 62.474 61.300 -0.394 0.000 1.368 539 I CB -0.434 37.320 38.000 -0.410 0.000 1.058 539 I HN 0.197 nan 8.210 nan 0.000 0.410 540 R N 0.923 121.321 120.500 -0.170 0.000 2.096 540 R HA -0.224 4.130 4.340 0.024 0.000 0.240 540 R C 2.157 178.409 176.300 -0.081 0.000 1.139 540 R CA 1.758 57.776 56.100 -0.136 0.000 0.952 540 R CB -0.509 29.708 30.300 -0.138 0.000 0.854 540 R HN 0.457 nan 8.270 nan 0.000 0.436 541 E N 0.370 120.544 120.200 -0.043 0.000 2.058 541 E HA -0.193 4.171 4.350 0.024 0.000 0.194 541 E C 2.181 178.789 176.600 0.013 0.000 0.997 541 E CA 1.225 57.621 56.400 -0.006 0.000 0.801 541 E CB -0.047 29.673 29.700 0.034 0.000 0.746 541 E HN 0.292 nan 8.360 nan 0.000 0.450 542 R N 0.203 120.727 120.500 0.040 0.000 2.096 542 R HA -0.098 4.257 4.340 0.024 0.000 0.235 542 R C 2.401 178.733 176.300 0.053 0.000 1.127 542 R CA 0.999 57.136 56.100 0.062 0.000 0.968 542 R CB -0.220 30.138 30.300 0.096 0.000 0.861 542 R HN 0.056 nan 8.270 nan 0.000 0.440 543 V N 0.299 120.240 119.914 0.044 0.000 2.358 543 V HA -0.194 3.940 4.120 0.024 0.000 0.246 543 V C 2.254 178.343 176.094 -0.009 0.000 1.047 543 V CA 1.455 63.797 62.300 0.069 0.000 1.035 543 V CB -0.263 31.616 31.823 0.093 0.000 0.658 543 V HN 0.126 nan 8.190 nan 0.000 0.452 544 V N 0.499 120.379 119.914 -0.056 0.000 2.407 544 V HA -0.307 3.827 4.120 0.024 0.000 0.248 544 V C 2.295 178.352 176.094 -0.061 0.000 1.055 544 V CA 2.448 64.689 62.300 -0.098 0.000 1.049 544 V CB -0.658 31.109 31.823 -0.093 0.000 0.662 544 V HN 0.651 nan 8.190 nan 0.000 0.455 545 D N -0.544 119.854 120.400 -0.004 0.000 2.123 545 D HA -0.214 4.440 4.640 0.024 0.000 0.196 545 D C 2.272 178.655 176.300 0.137 0.000 0.992 545 D CA 1.463 55.493 54.000 0.050 0.000 0.833 545 D CB -0.039 40.809 40.800 0.080 0.000 0.954 545 D HN 0.525 nan 8.370 nan 0.000 0.455 546 Q N -0.353 119.507 119.800 0.099 0.000 2.084 546 Q HA -0.099 4.256 4.340 0.024 0.000 0.202 546 Q C 2.480 178.520 176.000 0.067 0.000 0.978 546 Q CA 0.818 56.695 55.803 0.124 0.000 0.844 546 Q CB -0.122 28.706 28.738 0.150 0.000 0.898 546 Q HN 0.402 nan 8.270 nan 0.000 0.426 547 L N 0.243 121.438 121.223 -0.048 0.000 2.127 547 L HA -0.202 4.152 4.340 0.024 0.000 0.211 547 L C 2.363 179.117 176.870 -0.193 0.000 1.089 547 L CA 0.953 55.681 54.840 -0.187 0.000 0.757 547 L CB -0.634 41.207 42.059 -0.363 0.000 0.899 547 L HN 0.234 nan 8.230 nan 0.000 0.434 548 A N -1.008 121.721 122.820 -0.151 0.000 2.119 548 A HA -0.163 4.171 4.320 0.024 0.000 0.217 548 A C 1.716 179.112 177.584 -0.313 0.000 1.153 548 A CA 0.928 52.835 52.037 -0.217 0.000 0.692 548 A CB -0.646 18.233 19.000 -0.201 0.000 0.799 548 A HN 0.435 nan 8.150 nan 0.000 0.458 549 H N -1.026 117.833 119.070 -0.352 0.000 2.551 549 H HA 0.237 4.808 4.556 0.024 0.000 0.266 549 H C 1.523 176.552 175.328 -0.500 0.000 0.977 549 H CA 1.034 56.725 56.048 -0.595 0.000 1.163 549 H CB 0.059 29.052 29.762 -1.282 0.000 1.381 549 H HN 0.505 nan 8.280 nan 0.000 0.581 550 I N -1.231 119.234 120.570 -0.175 0.000 2.899 550 I HA 0.093 4.277 4.170 0.024 0.000 0.257 550 I C -0.132 175.909 176.117 -0.126 0.000 1.115 550 I CA 0.408 61.678 61.300 -0.050 0.000 1.451 550 I CB 0.682 38.686 38.000 0.007 0.000 1.251 550 I HN 0.099 nan 8.210 nan 0.000 0.456 551 D N -0.624 119.629 120.400 -0.246 0.000 2.795 551 D HA 0.172 4.826 4.640 0.024 0.000 0.206 551 D C 0.344 176.466 176.300 -0.297 0.000 1.278 551 D CA -0.368 53.463 54.000 -0.282 0.000 0.839 551 D CB 1.243 41.760 40.800 -0.472 0.000 1.700 551 D HN -0.156 nan 8.370 nan 0.000 0.549 552 L N 2.438 123.549 121.223 -0.186 0.000 2.046 552 L HA -0.089 4.265 4.340 0.024 0.000 0.208 552 L C 1.729 178.508 176.870 -0.150 0.000 1.077 552 L CA 1.809 56.555 54.840 -0.157 0.000 0.747 552 L CB -0.865 41.134 42.059 -0.100 0.000 0.896 552 L HN 0.639 nan 8.230 nan 0.000 0.432 553 T N 0.306 114.793 114.554 -0.111 0.000 2.674 553 T HA -0.204 4.160 4.350 0.024 0.000 0.265 553 T C 1.846 176.463 174.700 -0.139 0.000 1.039 553 T CA 1.406 63.484 62.100 -0.038 0.000 1.150 553 T CB -0.371 68.569 68.868 0.120 0.000 0.864 553 T HN 0.199 nan 8.240 nan 0.000 0.427 554 L N 1.660 122.619 121.223 -0.439 0.000 2.013 554 L HA -0.052 4.303 4.340 0.024 0.000 0.212 554 L C 2.545 179.167 176.870 -0.413 0.000 1.073 554 L CA 2.162 56.582 54.840 -0.700 0.000 0.753 554 L CB -1.060 40.141 42.059 -1.429 0.000 0.890 554 L HN 0.222 nan 8.230 nan 0.000 0.432 555 A N -1.205 121.399 122.820 -0.361 0.000 1.898 555 A HA -0.225 4.109 4.320 0.024 0.000 0.216 555 A C 2.213 179.690 177.584 -0.178 0.000 1.181 555 A CA 1.685 53.559 52.037 -0.271 0.000 0.620 555 A CB -0.609 18.252 19.000 -0.232 0.000 0.819 555 A HN 0.677 nan 8.150 nan 0.000 0.442 556 Q N -0.713 119.006 119.800 -0.136 0.000 2.124 556 Q HA -0.119 4.235 4.340 0.024 0.000 0.202 556 Q C 2.395 178.364 176.000 -0.053 0.000 0.977 556 Q CA 1.391 57.146 55.803 -0.080 0.000 0.850 556 Q CB -0.346 28.359 28.738 -0.055 0.000 0.901 556 Q HN 0.695 nan 8.270 nan 0.000 0.429 557 A N 0.087 122.880 122.820 -0.045 0.000 1.897 557 A HA -0.095 4.239 4.320 0.024 0.000 0.215 557 A C 2.283 179.865 177.584 -0.004 0.000 1.181 557 A CA 1.017 53.057 52.037 0.005 0.000 0.620 557 A CB -0.472 18.563 19.000 0.059 0.000 0.821 557 A HN 0.196 nan 8.150 nan 0.000 0.443 558 V N -0.052 119.830 119.914 -0.054 0.000 2.307 558 V HA -0.217 3.917 4.120 0.024 0.000 0.245 558 V C 3.069 179.127 176.094 -0.059 0.000 1.045 558 V CA 1.795 64.062 62.300 -0.056 0.000 1.024 558 V CB -1.233 30.503 31.823 -0.145 0.000 0.651 558 V HN 0.600 nan 8.190 nan 0.000 0.449 559 A N -0.019 122.754 122.820 -0.078 0.000 1.892 559 A HA -0.333 4.002 4.320 0.024 0.000 0.218 559 A C 2.337 179.900 177.584 -0.034 0.000 1.188 559 A CA 2.512 54.511 52.037 -0.063 0.000 0.631 559 A CB -0.586 18.374 19.000 -0.067 0.000 0.822 559 A HN 0.537 nan 8.150 nan 0.000 0.447 560 K N -0.605 119.783 120.400 -0.020 0.000 2.063 560 K HA -0.209 4.125 4.320 0.024 0.000 0.208 560 K C 1.596 178.199 176.600 0.006 0.000 1.048 560 K CA 1.715 58.001 56.287 -0.002 0.000 0.928 560 K CB -0.221 32.285 32.500 0.010 0.000 0.713 560 K HN 0.438 nan 8.250 nan 0.000 0.442 561 N N 0.629 119.336 118.700 0.012 0.000 2.381 561 N HA -0.098 4.656 4.740 0.024 0.000 0.182 561 N C 1.342 176.854 175.510 0.004 0.000 1.025 561 N CA 0.876 53.940 53.050 0.023 0.000 0.888 561 N CB 0.060 38.573 38.487 0.045 0.000 0.965 561 N HN 0.271 nan 8.380 nan 0.000 0.438 562 L N -0.960 120.253 121.223 -0.018 0.000 2.607 562 L HA 0.252 4.606 4.340 0.024 0.000 0.228 562 L C 0.973 177.828 176.870 -0.024 0.000 1.123 562 L CA -0.003 54.817 54.840 -0.034 0.000 0.890 562 L CB -0.075 41.948 42.059 -0.060 0.000 1.103 562 L HN 0.089 nan 8.230 nan 0.000 0.468 563 G N 1.497 110.289 108.800 -0.014 0.000 2.198 563 G HA2 -0.282 3.692 3.960 0.024 0.000 0.260 563 G HA3 -0.282 3.692 3.960 0.024 0.000 0.260 563 G C 0.059 174.951 174.900 -0.014 0.000 1.025 563 G CA 0.021 45.116 45.100 -0.009 0.000 0.769 563 G HN 0.316 nan 8.290 nan 0.000 0.507 564 I N 0.069 120.626 120.570 -0.021 0.000 2.377 564 I HA 0.400 4.584 4.170 0.024 0.000 0.293 564 I C 0.339 176.441 176.117 -0.025 0.000 0.987 564 I CA -0.678 60.608 61.300 -0.024 0.000 1.185 564 I CB 1.813 39.791 38.000 -0.036 0.000 1.341 564 I HN 0.207 nan 8.210 nan 0.000 0.455 565 E N 6.832 127.020 120.200 -0.021 0.000 2.133 565 E HA 0.398 4.762 4.350 0.024 0.000 0.274 565 E C -0.949 175.635 176.600 -0.028 0.000 0.930 565 E CA -0.716 55.671 56.400 -0.022 0.000 0.770 565 E CB 1.161 30.852 29.700 -0.015 0.000 1.104 565 E HN 0.486 nan 8.360 nan 0.000 0.403 566 L N 3.837 125.038 121.223 -0.037 0.000 2.485 566 L HA 0.084 4.438 4.340 0.024 0.000 0.275 566 L C 1.044 177.892 176.870 -0.036 0.000 1.207 566 L CA -0.113 54.701 54.840 -0.044 0.000 0.855 566 L CB 0.232 42.256 42.059 -0.059 0.000 1.114 566 L HN 0.690 nan 8.230 nan 0.000 0.485 567 T N -2.108 112.425 114.554 -0.035 0.000 2.856 567 T HA 0.018 4.382 4.350 0.024 0.000 0.306 567 T C 0.886 175.564 174.700 -0.038 0.000 1.062 567 T CA -0.801 61.280 62.100 -0.030 0.000 1.083 567 T CB 0.953 69.806 68.868 -0.025 0.000 0.984 567 T HN 0.525 nan 8.240 nan 0.000 0.542 568 D N 0.977 121.358 120.400 -0.031 0.000 2.158 568 D HA -0.122 4.533 4.640 0.024 0.000 0.197 568 D C 1.533 177.808 176.300 -0.042 0.000 0.995 568 D CA 1.386 55.366 54.000 -0.033 0.000 0.846 568 D CB -0.207 40.578 40.800 -0.025 0.000 0.941 568 D HN 0.626 nan 8.370 nan 0.000 0.456 569 D N 0.565 120.941 120.400 -0.041 0.000 2.097 569 D HA -0.113 4.541 4.640 0.024 0.000 0.195 569 D C 2.179 178.431 176.300 -0.080 0.000 0.989 569 D CA 0.777 54.747 54.000 -0.050 0.000 0.827 569 D CB -0.268 40.511 40.800 -0.035 0.000 0.966 569 D HN 0.291 nan 8.370 nan 0.000 0.456 570 Q N -0.178 119.572 119.800 -0.082 0.000 2.084 570 Q HA -0.043 4.311 4.340 0.024 0.000 0.202 570 Q C 2.300 178.220 176.000 -0.133 0.000 0.978 570 Q CA 0.635 56.365 55.803 -0.122 0.000 0.844 570 Q CB -0.090 28.591 28.738 -0.095 0.000 0.898 570 Q HN 0.312 nan 8.270 nan 0.000 0.426 571 L N 0.783 121.949 121.223 -0.095 0.000 2.450 571 L HA -0.146 4.209 4.340 0.024 0.000 0.224 571 L C 1.042 177.860 176.870 -0.086 0.000 1.149 571 L CA 0.496 55.285 54.840 -0.085 0.000 0.816 571 L CB -0.155 41.868 42.059 -0.060 0.000 0.932 571 L HN 0.266 nan 8.230 nan 0.000 0.449 572 N N -0.355 118.290 118.700 -0.092 0.000 2.204 572 N HA 0.249 5.003 4.740 0.024 0.000 0.219 572 N C 0.282 175.728 175.510 -0.106 0.000 1.151 572 N CA -0.035 52.966 53.050 -0.082 0.000 0.867 572 N CB 0.897 39.349 38.487 -0.058 0.000 1.043 572 N HN 0.204 nan 8.380 nan 0.000 0.516 573 I N 1.876 122.347 120.570 -0.165 0.000 2.668 573 I HA -0.084 4.100 4.170 0.024 0.000 0.285 573 I C 1.271 177.291 176.117 -0.161 0.000 1.168 573 I CA 0.338 61.505 61.300 -0.223 0.000 1.424 573 I CB 0.475 38.204 38.000 -0.451 0.000 1.377 573 I HN -0.020 nan 8.210 nan 0.000 0.560 574 T N 7.017 121.507 114.554 -0.107 0.000 2.907 574 T HA 0.335 4.700 4.350 0.024 0.000 0.298 574 T C -2.123 172.540 174.700 -0.062 0.000 1.017 574 T CA -1.408 60.653 62.100 -0.065 0.000 1.118 574 T CB 0.902 69.753 68.868 -0.029 0.000 0.948 574 T HN 0.308 nan 8.240 nan 0.000 0.531 575 P HA 0.337 nan 4.420 nan 0.000 0.274 575 P C -2.446 174.869 177.300 0.024 0.000 1.237 575 P CA -1.526 61.558 63.100 -0.025 0.000 0.793 575 P CB -0.508 31.187 31.700 -0.009 0.000 0.977 576 P HA 0.259 nan 4.420 nan 0.000 0.272 576 P C -2.519 174.837 177.300 0.095 0.000 1.240 576 P CA -1.351 61.819 63.100 0.117 0.000 0.791 576 P CB -1.058 30.760 31.700 0.197 0.000 0.978 577 P HA 0.097 nan 4.420 nan 0.000 0.270 577 P C -0.215 177.137 177.300 0.086 0.000 1.223 577 P CA 0.141 63.290 63.100 0.082 0.000 0.785 577 P CB 0.134 31.886 31.700 0.085 0.000 0.923 578 D N -0.275 120.168 120.400 0.072 0.000 2.364 578 D HA 0.028 4.682 4.640 0.024 0.000 0.236 578 D C -0.153 176.200 176.300 0.087 0.000 1.221 578 D CA 0.259 54.300 54.000 0.067 0.000 0.891 578 D CB 0.196 41.029 40.800 0.056 0.000 1.190 578 D HN -0.054 nan 8.370 nan 0.000 0.449 579 V N 2.270 122.228 119.914 0.074 0.000 2.334 579 V HA 0.084 4.219 4.120 0.024 0.000 0.267 579 V C 0.094 176.284 176.094 0.161 0.000 1.040 579 V CA -0.543 61.834 62.300 0.128 0.000 0.866 579 V CB -0.072 31.753 31.823 0.005 0.000 1.019 579 V HN 0.589 nan 8.190 nan 0.000 0.468 580 N N 4.509 123.318 118.700 0.181 0.000 2.705 580 N HA -0.224 4.530 4.740 0.024 0.000 0.255 580 N C 1.194 176.762 175.510 0.098 0.000 1.008 580 N CA 1.053 54.188 53.050 0.142 0.000 0.742 580 N CB -0.856 37.751 38.487 0.201 0.000 0.906 580 N HN 1.297 nan 8.380 nan 0.000 0.541 581 G N -2.440 106.407 108.800 0.077 0.000 2.189 581 G HA2 -0.330 3.644 3.960 0.024 0.000 0.267 581 G HA3 -0.330 3.644 3.960 0.024 0.000 0.267 581 G C 0.007 174.938 174.900 0.051 0.000 0.975 581 G CA 0.274 45.407 45.100 0.055 0.000 0.644 581 G HN 0.363 nan 8.290 nan 0.000 0.537 582 L N 0.237 121.496 121.223 0.059 0.000 2.331 582 L HA 0.497 4.851 4.340 0.024 0.000 0.278 582 L C 1.337 178.224 176.870 0.028 0.000 1.106 582 L CA 0.458 55.324 54.840 0.042 0.000 0.824 582 L CB 1.366 43.452 42.059 0.045 0.000 1.142 582 L HN 0.215 nan 8.230 nan 0.000 0.443 583 K N 2.873 123.284 120.400 0.018 0.000 2.358 583 K HA 0.169 4.503 4.320 0.024 0.000 0.200 583 K C -0.400 176.195 176.600 -0.008 0.000 1.030 583 K CA 0.066 56.361 56.287 0.012 0.000 1.097 583 K CB 0.470 32.977 32.500 0.012 0.000 0.862 583 K HN 0.621 nan 8.250 nan 0.000 0.534 584 K N -0.500 119.890 120.400 -0.016 0.000 2.685 584 K HA 0.247 4.581 4.320 0.024 0.000 0.290 584 K C -2.114 174.470 176.600 -0.027 0.000 1.018 584 K CA -1.027 55.233 56.287 -0.044 0.000 0.860 584 K CB 1.243 33.697 32.500 -0.077 0.000 1.498 584 K HN -0.245 nan 8.250 nan 0.000 0.390 585 D N 1.304 121.682 120.400 -0.036 0.000 2.479 585 D HA 0.327 4.981 4.640 0.024 0.000 0.246 585 D C -2.201 174.084 176.300 -0.024 0.000 1.336 585 D CA -2.099 51.899 54.000 -0.004 0.000 0.967 585 D CB 2.165 42.984 40.800 0.032 0.000 1.275 585 D HN 0.245 nan 8.370 nan 0.000 0.577 586 P HA -0.097 nan 4.420 nan 0.000 0.225 586 P C 1.252 178.543 177.300 -0.016 0.000 1.148 586 P CA 0.836 63.907 63.100 -0.049 0.000 0.779 586 P CB 0.231 31.914 31.700 -0.028 0.000 0.780 587 S N -1.252 114.472 115.700 0.039 0.000 2.507 587 S HA -0.047 4.437 4.470 0.024 0.000 0.235 587 S C 1.692 176.377 174.600 0.141 0.000 0.988 587 S CA 0.681 58.941 58.200 0.100 0.000 0.944 587 S CB -1.355 61.930 63.200 0.141 0.000 0.762 587 S HN 0.143 nan 8.310 nan 0.000 0.526 588 L N 1.183 122.452 121.223 0.077 0.000 2.313 588 L HA 0.147 4.502 4.340 0.024 0.000 0.214 588 L C 1.580 178.352 176.870 -0.164 0.000 1.119 588 L CA 0.293 55.168 54.840 0.058 0.000 0.809 588 L CB -0.438 41.641 42.059 0.034 0.000 0.933 588 L HN 0.319 nan 8.230 nan 0.000 0.449 589 S N -0.271 115.308 115.700 -0.201 0.000 2.565 589 S HA 0.240 4.724 4.470 0.024 0.000 0.274 589 S C 1.125 175.600 174.600 -0.209 0.000 1.309 589 S CA -0.587 57.441 58.200 -0.286 0.000 1.043 589 S CB 1.139 64.173 63.200 -0.276 0.000 0.939 589 S HN 0.166 nan 8.310 nan 0.000 0.504 590 L N 3.689 124.699 121.223 -0.355 0.000 2.201 590 L HA -0.018 4.337 4.340 0.024 0.000 0.212 590 L C 0.814 177.394 176.870 -0.484 0.000 1.105 590 L CA 1.151 55.681 54.840 -0.518 0.000 0.775 590 L CB -0.264 41.172 42.059 -1.038 0.000 0.913 590 L HN 0.757 nan 8.230 nan 0.000 0.440 591 Y N -2.478 117.813 120.300 -0.014 0.000 2.425 591 Y HA 0.323 4.888 4.550 0.024 0.000 0.261 591 Y C 2.138 178.060 175.900 0.036 0.000 1.084 591 Y CA -0.274 57.866 58.100 0.067 0.000 1.248 591 Y CB -0.449 38.073 38.460 0.103 0.000 1.270 591 Y HN -0.068 nan 8.280 nan 0.000 0.524 592 A N 0.530 123.376 122.820 0.044 0.000 1.978 592 A HA -0.030 4.304 4.320 0.024 0.000 0.220 592 A C 0.868 178.486 177.584 0.057 0.000 1.170 592 A CA 1.125 53.164 52.037 0.005 0.000 0.636 592 A CB -0.732 18.208 19.000 -0.101 0.000 0.810 592 A HN 0.283 nan 8.150 nan 0.000 0.448 593 I N 1.675 122.287 120.570 0.069 0.000 2.354 593 I HA 0.241 4.425 4.170 0.024 0.000 0.286 593 I C -2.299 173.890 176.117 0.120 0.000 1.007 593 I CA -2.340 59.009 61.300 0.081 0.000 1.167 593 I CB 1.708 39.744 38.000 0.060 0.000 1.320 593 I HN 0.067 nan 8.210 nan 0.000 0.458 594 P HA 0.026 nan 4.420 nan 0.000 0.263 594 P C -0.619 176.759 177.300 0.130 0.000 1.195 594 P CA 0.188 63.383 63.100 0.160 0.000 0.762 594 P CB 0.623 32.403 31.700 0.133 0.000 0.799 595 D N 1.437 121.924 120.400 0.146 0.000 2.760 595 D HA 0.166 4.820 4.640 0.024 0.000 0.314 595 D C 0.559 176.923 176.300 0.108 0.000 1.464 595 D CA -0.534 53.533 54.000 0.112 0.000 0.797 595 D CB -0.320 40.542 40.800 0.103 0.000 1.149 595 D HN 0.304 nan 8.370 nan 0.000 0.455 596 G N -0.103 108.769 108.800 0.119 0.000 2.569 596 G HA2 0.404 4.378 3.960 0.024 0.000 0.249 596 G HA3 0.404 4.378 3.960 0.024 0.000 0.249 596 G C -0.761 174.180 174.900 0.069 0.000 1.216 596 G CA -0.214 44.951 45.100 0.108 0.000 0.845 596 G HN 0.174 nan 8.290 nan 0.000 0.568 597 D N 0.198 120.631 120.400 0.056 0.000 2.764 597 D HA 0.146 4.800 4.640 0.024 0.000 0.227 597 D C 0.879 177.194 176.300 0.026 0.000 1.347 597 D CA -0.542 53.477 54.000 0.031 0.000 0.953 597 D CB 1.721 42.533 40.800 0.020 0.000 1.476 597 D HN 0.327 nan 8.370 nan 0.000 0.585 598 V N 1.828 121.749 119.914 0.012 0.000 3.406 598 V HA 0.244 4.378 4.120 0.024 0.000 0.263 598 V C 1.023 177.103 176.094 -0.023 0.000 1.172 598 V CA 0.199 62.501 62.300 0.004 0.000 1.140 598 V CB -0.659 31.160 31.823 -0.006 0.000 0.784 598 V HN 0.386 nan 8.190 nan 0.000 0.467 599 K N 1.200 121.581 120.400 -0.033 0.000 2.451 599 K HA 0.395 4.729 4.320 0.024 0.000 0.280 599 K C 1.280 177.849 176.600 -0.053 0.000 1.020 599 K CA 1.062 57.309 56.287 -0.067 0.000 1.008 599 K CB 0.172 32.637 32.500 -0.058 0.000 0.917 599 K HN 0.669 nan 8.250 nan 0.000 0.478 600 G N 3.138 111.883 108.800 -0.093 0.000 2.217 600 G HA2 -0.219 3.755 3.960 0.024 0.000 0.246 600 G HA3 -0.219 3.755 3.960 0.024 0.000 0.246 600 G C 0.101 175.068 174.900 0.111 0.000 0.990 600 G CA -0.227 44.901 45.100 0.047 0.000 0.627 600 G HN 0.557 nan 8.290 nan 0.000 0.522 601 R N -0.086 120.442 120.500 0.047 0.000 2.822 601 R HA 0.660 5.014 4.340 0.024 0.000 0.277 601 R C 0.152 176.517 176.300 0.108 0.000 1.102 601 R CA 0.026 56.177 56.100 0.085 0.000 1.207 601 R CB 0.700 31.039 30.300 0.064 0.000 1.139 601 R HN 0.718 nan 8.270 nan 0.000 0.557 602 V N 0.239 120.229 119.914 0.127 0.000 2.888 602 V HA 0.465 4.599 4.120 0.024 0.000 0.309 602 V C -1.170 174.990 176.094 0.111 0.000 1.114 602 V CA -0.746 61.641 62.300 0.146 0.000 0.940 602 V CB 2.586 34.520 31.823 0.185 0.000 1.021 602 V HN 0.347 nan 8.190 nan 0.000 0.426 603 V N 5.330 125.303 119.914 0.099 0.000 2.604 603 V HA 0.822 4.956 4.120 0.024 0.000 0.305 603 V C 0.420 176.570 176.094 0.094 0.000 1.043 603 V CA -0.176 62.173 62.300 0.081 0.000 0.888 603 V CB 1.748 33.603 31.823 0.054 0.000 0.995 603 V HN 1.190 nan 8.190 nan 0.000 0.429 604 A N 5.820 128.705 122.820 0.108 0.000 2.331 604 A HA 0.797 5.131 4.320 0.024 0.000 0.283 604 A C -0.502 177.097 177.584 0.026 0.000 1.142 604 A CA -0.261 51.826 52.037 0.084 0.000 0.812 604 A CB 0.176 19.263 19.000 0.145 0.000 1.074 604 A HN 0.764 nan 8.150 nan 0.000 0.497 605 I N 3.295 123.870 120.570 0.008 0.000 2.382 605 I HA 0.202 4.387 4.170 0.024 0.000 0.285 605 I C -0.669 175.454 176.117 0.010 0.000 1.007 605 I CA -0.205 61.102 61.300 0.012 0.000 1.142 605 I CB 1.430 39.447 38.000 0.028 0.000 1.289 605 I HN 0.491 nan 8.210 nan 0.000 0.453 606 L N 7.302 128.527 121.223 0.004 0.000 2.295 606 L HA 0.401 4.755 4.340 0.024 0.000 0.288 606 L C 0.050 177.022 176.870 0.169 0.000 1.079 606 L CA -0.377 54.531 54.840 0.113 0.000 0.830 606 L CB 0.140 42.141 42.059 -0.097 0.000 1.200 606 L HN 0.438 nan 8.230 nan 0.000 0.438 607 L N 3.620 124.973 121.223 0.217 0.000 2.453 607 L HA 0.235 4.589 4.340 0.024 0.000 0.261 607 L C 0.211 177.240 176.870 0.264 0.000 1.179 607 L CA -0.256 54.659 54.840 0.125 0.000 0.813 607 L CB 0.748 42.773 42.059 -0.057 0.000 1.110 607 L HN 0.707 nan 8.230 nan 0.000 0.466 608 N N -1.862 116.895 118.700 0.095 0.000 2.629 608 N HA 0.223 4.977 4.740 0.024 0.000 0.279 608 N C -0.270 175.194 175.510 -0.077 0.000 1.344 608 N CA -0.784 52.366 53.050 0.168 0.000 0.789 608 N CB 0.728 39.318 38.487 0.172 0.000 1.508 608 N HN 0.535 nan 8.380 nan 0.000 0.516 609 D N -1.632 118.773 120.400 0.010 0.000 2.363 609 D HA -0.069 4.586 4.640 0.024 0.000 0.226 609 D C -0.446 175.818 176.300 -0.061 0.000 1.020 609 D CA 0.818 54.767 54.000 -0.085 0.000 0.892 609 D CB -0.068 40.761 40.800 0.049 0.000 0.900 609 D HN 0.723 nan 8.370 nan 0.000 0.531 610 E N 0.445 120.626 120.200 -0.033 0.000 3.284 610 E HA 0.201 4.565 4.350 0.024 0.000 0.277 610 E C -1.208 175.377 176.600 -0.024 0.000 1.218 610 E CA -0.344 56.039 56.400 -0.029 0.000 0.925 610 E CB 1.286 30.979 29.700 -0.013 0.000 1.409 610 E HN -0.103 nan 8.360 nan 0.000 0.388 611 V N 1.961 121.852 119.914 -0.038 0.000 2.715 611 V HA 0.125 4.260 4.120 0.024 0.000 0.299 611 V C 0.914 176.991 176.094 -0.029 0.000 1.054 611 V CA 0.029 62.311 62.300 -0.029 0.000 1.077 611 V CB 1.069 32.867 31.823 -0.040 0.000 0.972 611 V HN 0.460 nan 8.190 nan 0.000 0.484 612 R N 2.864 123.347 120.500 -0.028 0.000 2.345 612 R HA 0.047 4.401 4.340 0.024 0.000 0.331 612 R C 1.558 177.835 176.300 -0.037 0.000 1.067 612 R CA 0.476 56.555 56.100 -0.035 0.000 0.962 612 R CB 0.395 30.669 30.300 -0.043 0.000 0.987 612 R HN 1.017 nan 8.270 nan 0.000 0.451 613 S N 3.359 119.039 115.700 -0.033 0.000 2.382 613 S HA -0.210 4.274 4.470 0.024 0.000 0.228 613 S C 1.964 176.545 174.600 -0.031 0.000 1.027 613 S CA 0.965 59.146 58.200 -0.031 0.000 0.991 613 S CB -0.085 63.099 63.200 -0.027 0.000 0.823 613 S HN 0.680 nan 8.310 nan 0.000 0.469 614 A N 1.995 124.794 122.820 -0.035 0.000 1.972 614 A HA -0.094 4.240 4.320 0.024 0.000 0.219 614 A C 1.944 179.498 177.584 -0.050 0.000 1.169 614 A CA 1.609 53.624 52.037 -0.037 0.000 0.635 614 A CB -0.742 18.236 19.000 -0.038 0.000 0.810 614 A HN 0.475 nan 8.150 nan 0.000 0.446 615 D N -0.247 120.114 120.400 -0.065 0.000 2.097 615 D HA -0.094 4.560 4.640 0.024 0.000 0.197 615 D C 1.906 178.175 176.300 -0.052 0.000 0.984 615 D CA 0.745 54.689 54.000 -0.094 0.000 0.826 615 D CB -0.306 40.423 40.800 -0.120 0.000 0.973 615 D HN 0.343 nan 8.370 nan 0.000 0.460 616 L N 0.496 121.699 121.223 -0.034 0.000 2.141 616 L HA -0.102 4.252 4.340 0.024 0.000 0.209 616 L C 2.339 179.206 176.870 -0.006 0.000 1.094 616 L CA 0.635 55.467 54.840 -0.014 0.000 0.763 616 L CB -0.174 41.876 42.059 -0.016 0.000 0.908 616 L HN 0.100 nan 8.230 nan 0.000 0.437 617 L N -0.627 120.589 121.223 -0.012 0.000 2.017 617 L HA -0.214 4.141 4.340 0.024 0.000 0.208 617 L C 2.816 179.687 176.870 0.001 0.000 1.073 617 L CA 1.307 56.144 54.840 -0.006 0.000 0.745 617 L CB -0.655 41.397 42.059 -0.010 0.000 0.894 617 L HN 0.271 nan 8.230 nan 0.000 0.432 618 A N 0.209 123.027 122.820 -0.003 0.000 1.902 618 A HA -0.178 4.157 4.320 0.024 0.000 0.217 618 A C 2.180 179.785 177.584 0.035 0.000 1.181 618 A CA 1.484 53.527 52.037 0.011 0.000 0.623 618 A CB -0.616 18.384 19.000 -0.001 0.000 0.818 618 A HN 0.339 nan 8.150 nan 0.000 0.443 619 I N -0.371 120.223 120.570 0.039 0.000 2.142 619 I HA -0.262 3.922 4.170 0.024 0.000 0.240 619 I C 2.416 178.562 176.117 0.048 0.000 1.078 619 I CA 1.284 62.627 61.300 0.072 0.000 1.343 619 I CB -0.375 37.671 38.000 0.077 0.000 1.046 619 I HN 0.280 nan 8.210 nan 0.000 0.405 620 L N 0.346 121.588 121.223 0.031 0.000 2.093 620 L HA -0.206 4.148 4.340 0.024 0.000 0.208 620 L C 2.575 179.456 176.870 0.018 0.000 1.085 620 L CA 1.377 56.232 54.840 0.025 0.000 0.755 620 L CB -0.511 41.560 42.059 0.019 0.000 0.904 620 L HN 0.208 nan 8.230 nan 0.000 0.435 621 K N 0.112 120.522 120.400 0.016 0.000 2.155 621 K HA -0.088 4.246 4.320 0.024 0.000 0.203 621 K C 2.151 178.757 176.600 0.010 0.000 1.052 621 K CA 0.957 57.250 56.287 0.011 0.000 0.948 621 K CB 0.026 32.531 32.500 0.009 0.000 0.728 621 K HN 0.253 nan 8.250 nan 0.000 0.448 622 A N 1.150 123.981 122.820 0.019 0.000 1.898 622 A HA -0.115 4.219 4.320 0.024 0.000 0.216 622 A C 2.022 179.608 177.584 0.003 0.000 1.181 622 A CA 1.100 53.148 52.037 0.018 0.000 0.620 622 A CB -0.544 18.479 19.000 0.038 0.000 0.819 622 A HN 0.254 nan 8.150 nan 0.000 0.442 623 L N -0.683 120.543 121.223 0.005 0.000 2.017 623 L HA -0.191 4.163 4.340 0.024 0.000 0.208 623 L C 2.705 179.551 176.870 -0.040 0.000 1.073 623 L CA 1.673 56.504 54.840 -0.016 0.000 0.745 623 L CB -0.498 41.560 42.059 -0.002 0.000 0.894 623 L HN 0.327 nan 8.230 nan 0.000 0.432 624 K N 0.641 121.026 120.400 -0.024 0.000 2.103 624 K HA -0.186 4.148 4.320 0.024 0.000 0.207 624 K C 1.977 178.554 176.600 -0.037 0.000 1.048 624 K CA 1.633 57.901 56.287 -0.031 0.000 0.930 624 K CB -0.131 32.365 32.500 -0.007 0.000 0.716 624 K HN 0.301 nan 8.250 nan 0.000 0.444 625 A N 0.871 123.676 122.820 -0.024 0.000 2.067 625 A HA -0.080 4.254 4.320 0.024 0.000 0.219 625 A C 1.594 179.160 177.584 -0.031 0.000 1.158 625 A CA 1.204 53.228 52.037 -0.021 0.000 0.661 625 A CB -0.018 18.976 19.000 -0.010 0.000 0.801 625 A HN 0.134 nan 8.150 nan 0.000 0.452 626 K N -1.430 118.944 120.400 -0.043 0.000 2.358 626 K HA 0.234 4.569 4.320 0.024 0.000 0.200 626 K C 0.892 177.440 176.600 -0.086 0.000 1.030 626 K CA 0.589 56.846 56.287 -0.050 0.000 1.097 626 K CB 0.162 32.638 32.500 -0.039 0.000 0.862 626 K HN 0.708 nan 8.250 nan 0.000 0.534 627 G N 1.512 110.240 108.800 -0.120 0.000 2.160 627 G HA2 -0.225 3.749 3.960 0.024 0.000 0.244 627 G HA3 -0.225 3.749 3.960 0.024 0.000 0.244 627 G C -0.016 174.672 174.900 -0.353 0.000 1.022 627 G CA 0.177 45.155 45.100 -0.203 0.000 0.741 627 G HN 0.099 nan 8.290 nan 0.000 0.508 628 V N 0.758 120.508 119.914 -0.274 0.000 2.439 628 V HA 0.516 4.651 4.120 0.024 0.000 0.282 628 V C 0.776 176.696 176.094 -0.289 0.000 1.039 628 V CA -0.791 61.353 62.300 -0.260 0.000 0.913 628 V CB 1.165 32.930 31.823 -0.098 0.000 0.983 628 V HN 0.450 nan 8.190 nan 0.000 0.460 629 H N 1.781 120.862 119.070 0.017 0.000 2.509 629 H HA 0.781 5.352 4.556 0.024 0.000 0.359 629 H C 0.203 175.550 175.328 0.031 0.000 1.253 629 H CA 0.166 56.226 56.048 0.021 0.000 1.373 629 H CB 1.217 30.993 29.762 0.023 0.000 1.555 629 H HN 0.861 nan 8.280 nan 0.000 0.586 630 A N 0.894 123.817 122.820 0.172 0.000 2.475 630 A HA 0.551 4.885 4.320 0.024 0.000 0.301 630 A C -1.263 176.375 177.584 0.091 0.000 1.059 630 A CA -1.031 51.069 52.037 0.104 0.000 0.710 630 A CB 1.288 20.331 19.000 0.072 0.000 1.288 630 A HN 0.784 nan 8.150 nan 0.000 0.408 631 K N 2.304 122.749 120.400 0.075 0.000 2.545 631 K HA 0.648 4.982 4.320 0.024 0.000 0.252 631 K C -1.593 175.028 176.600 0.034 0.000 0.948 631 K CA -0.499 55.822 56.287 0.057 0.000 0.827 631 K CB 1.391 33.935 32.500 0.073 0.000 1.128 631 K HN 0.507 nan 8.250 nan 0.000 0.429 632 L N 5.227 126.460 121.223 0.016 0.000 2.315 632 L HA 0.326 4.681 4.340 0.024 0.000 0.283 632 L C -0.366 176.490 176.870 -0.023 0.000 1.089 632 L CA -0.594 54.245 54.840 -0.002 0.000 0.833 632 L CB 0.167 42.218 42.059 -0.012 0.000 1.170 632 L HN 0.537 nan 8.230 nan 0.000 0.442 633 L N 3.837 125.041 121.223 -0.031 0.000 2.330 633 L HA 0.600 4.955 4.340 0.024 0.000 0.271 633 L C -0.787 175.962 176.870 -0.202 0.000 1.013 633 L CA -0.760 54.003 54.840 -0.128 0.000 0.816 633 L CB 1.991 43.979 42.059 -0.117 0.000 1.287 633 L HN 0.414 nan 8.230 nan 0.000 0.435 634 Y N -0.528 119.298 120.300 -0.790 0.000 2.900 634 Y HA 0.162 4.727 4.550 0.024 0.000 0.318 634 Y C 0.765 175.921 175.900 -1.240 0.000 1.457 634 Y CA -0.639 56.887 58.100 -0.957 0.000 1.082 634 Y CB 1.377 39.632 38.460 -0.343 0.000 1.419 634 Y HN 0.541 nan 8.280 nan 0.000 0.459 635 S N 0.577 115.443 115.700 -1.391 0.000 2.558 635 S HA 0.269 4.753 4.470 0.024 0.000 0.217 635 S C 0.003 174.346 174.600 -0.428 0.000 0.975 635 S CA 0.335 58.091 58.200 -0.740 0.000 0.912 635 S CB -0.130 62.754 63.200 -0.527 0.000 0.776 635 S HN 0.589 nan 8.310 nan 0.000 0.526 636 R N -1.074 119.224 120.500 -0.336 0.000 2.766 636 R HA 0.622 4.976 4.340 0.024 0.000 0.270 636 R C -0.825 175.461 176.300 -0.023 0.000 1.035 636 R CA -1.122 54.911 56.100 -0.112 0.000 0.911 636 R CB 0.493 30.769 30.300 -0.040 0.000 1.243 636 R HN -0.081 nan 8.270 nan 0.000 0.460 637 M N 0.230 119.823 119.600 -0.013 0.000 2.159 637 M HA 0.504 4.998 4.480 0.024 0.000 0.293 637 M C 0.944 177.260 176.300 0.026 0.000 1.186 637 M CA 0.928 56.229 55.300 0.003 0.000 1.073 637 M CB 0.604 33.199 32.600 -0.009 0.000 1.419 637 M HN 1.059 nan 8.290 nan 0.000 0.490 638 G N 1.062 109.869 108.800 0.011 0.000 2.715 638 G HA2 -0.115 3.860 3.960 0.024 0.000 0.221 638 G HA3 -0.115 3.860 3.960 0.024 0.000 0.221 638 G C -0.951 173.945 174.900 -0.007 0.000 1.204 638 G CA -0.529 44.575 45.100 0.007 0.000 1.063 638 G HN 0.620 nan 8.290 nan 0.000 0.586 639 E N -0.987 119.203 120.200 -0.017 0.000 2.393 639 E HA 0.633 4.997 4.350 0.024 0.000 0.273 639 E C -0.326 176.218 176.600 -0.093 0.000 0.918 639 E CA -0.447 55.923 56.400 -0.051 0.000 0.773 639 E CB 3.014 32.691 29.700 -0.039 0.000 1.275 639 E HN 1.219 nan 8.360 nan 0.000 0.451 640 V N -1.864 117.958 119.914 -0.154 0.000 3.126 640 V HA 0.755 4.889 4.120 0.024 0.000 0.314 640 V C -0.571 175.446 176.094 -0.128 0.000 1.138 640 V CA -0.653 61.529 62.300 -0.197 0.000 1.034 640 V CB 2.049 33.632 31.823 -0.401 0.000 1.075 640 V HN 0.619 nan 8.190 nan 0.000 0.442 641 T N 2.140 116.629 114.554 -0.107 0.000 2.786 641 T HA 0.781 5.145 4.350 0.024 0.000 0.283 641 T C 0.200 174.859 174.700 -0.068 0.000 0.992 641 T CA 0.243 62.301 62.100 -0.071 0.000 0.954 641 T CB 1.201 70.040 68.868 -0.047 0.000 0.934 641 T HN 1.349 nan 8.240 nan 0.000 0.440 642 A N 2.540 125.325 122.820 -0.058 0.000 2.327 642 A HA 0.352 4.686 4.320 0.024 0.000 0.255 642 A C 1.653 179.215 177.584 -0.036 0.000 1.099 642 A CA -0.262 51.746 52.037 -0.049 0.000 0.801 642 A CB 0.061 19.035 19.000 -0.042 0.000 1.062 642 A HN 0.932 nan 8.150 nan 0.000 0.496 643 D N 0.506 120.887 120.400 -0.031 0.000 2.170 643 D HA -0.263 4.392 4.640 0.024 0.000 0.193 643 D C 0.746 177.033 176.300 -0.022 0.000 1.004 643 D CA 1.973 55.959 54.000 -0.024 0.000 0.860 643 D CB -0.424 40.362 40.800 -0.023 0.000 0.931 643 D HN 0.644 nan 8.370 nan 0.000 0.448 644 D N -1.377 119.009 120.400 -0.023 0.000 2.325 644 D HA 0.184 4.838 4.640 0.024 0.000 0.225 644 D C 1.651 177.940 176.300 -0.019 0.000 1.096 644 D CA 0.573 54.561 54.000 -0.020 0.000 0.844 644 D CB -0.123 40.666 40.800 -0.019 0.000 0.925 644 D HN 0.467 nan 8.370 nan 0.000 0.513 645 G N -0.087 108.700 108.800 -0.022 0.000 2.176 645 G HA2 -0.278 3.696 3.960 0.024 0.000 0.253 645 G HA3 -0.278 3.696 3.960 0.024 0.000 0.253 645 G C 0.447 175.333 174.900 -0.024 0.000 0.979 645 G CA 0.336 45.423 45.100 -0.022 0.000 0.641 645 G HN 0.460 nan 8.290 nan 0.000 0.530 646 T N 1.223 115.762 114.554 -0.026 0.000 2.902 646 T HA 0.398 4.762 4.350 0.024 0.000 0.301 646 T C 0.651 175.330 174.700 -0.034 0.000 1.012 646 T CA 0.153 62.237 62.100 -0.027 0.000 1.151 646 T CB 2.140 70.993 68.868 -0.026 0.000 0.946 646 T HN 0.495 nan 8.240 nan 0.000 0.542 647 V N 5.351 125.246 119.914 -0.031 0.000 2.385 647 V HA 0.211 4.345 4.120 0.024 0.000 0.269 647 V C -0.181 175.889 176.094 -0.041 0.000 1.043 647 V CA -0.759 61.518 62.300 -0.037 0.000 0.906 647 V CB 0.727 32.533 31.823 -0.028 0.000 0.995 647 V HN 0.558 nan 8.190 nan 0.000 0.467 648 L N 9.059 130.247 121.223 -0.058 0.000 2.276 648 L HA 0.501 4.855 4.340 0.024 0.000 0.286 648 L C -2.039 174.794 176.870 -0.062 0.000 1.024 648 L CA -2.528 52.276 54.840 -0.060 0.000 0.826 648 L CB 1.369 43.378 42.059 -0.083 0.000 1.211 648 L HN 0.428 nan 8.230 nan 0.000 0.422 649 P HA 0.242 nan 4.420 nan 0.000 0.281 649 P C -0.352 176.928 177.300 -0.034 0.000 1.252 649 P CA -0.265 62.816 63.100 -0.032 0.000 0.778 649 P CB 1.077 32.767 31.700 -0.018 0.000 0.895 650 I N 2.744 123.294 120.570 -0.033 0.000 2.371 650 I HA 0.174 4.359 4.170 0.024 0.000 0.290 650 I C 1.671 177.776 176.117 -0.019 0.000 1.028 650 I CA -0.349 60.933 61.300 -0.030 0.000 1.345 650 I CB 1.271 39.261 38.000 -0.016 0.000 1.407 650 I HN 0.368 nan 8.210 nan 0.000 0.501 651 A N 5.339 128.149 122.820 -0.017 0.000 1.930 651 A HA 0.529 4.863 4.320 0.024 0.000 0.215 651 A C 1.008 178.586 177.584 -0.010 0.000 1.176 651 A CA 1.291 53.324 52.037 -0.006 0.000 0.632 651 A CB 0.000 19.005 19.000 0.007 0.000 0.819 651 A HN 0.825 nan 8.150 nan 0.000 0.445 652 A N -2.123 120.680 122.820 -0.028 0.000 2.586 652 A HA 0.564 4.898 4.320 0.024 0.000 0.291 652 A C -0.052 177.471 177.584 -0.101 0.000 1.062 652 A CA 0.068 52.086 52.037 -0.033 0.000 0.666 652 A CB -0.252 18.753 19.000 0.010 0.000 1.281 652 A HN 0.777 nan 8.150 nan 0.000 0.421 653 T N -1.482 113.009 114.554 -0.104 0.000 2.816 653 T HA 0.549 4.914 4.350 0.024 0.000 0.282 653 T C 0.955 175.580 174.700 -0.125 0.000 0.993 653 T CA 0.095 62.063 62.100 -0.220 0.000 0.994 653 T CB 0.056 68.841 68.868 -0.139 0.000 1.025 653 T HN 0.484 nan 8.240 nan 0.000 0.529 654 F N 0.600 120.562 119.950 0.021 0.000 2.120 654 F HA -0.031 4.510 4.527 0.024 0.000 0.300 654 F C 2.913 178.841 175.800 0.215 0.000 1.095 654 F CA 1.192 59.248 58.000 0.094 0.000 1.249 654 F CB -0.657 38.381 39.000 0.064 0.000 0.995 654 F HN 0.706 nan 8.300 nan 0.000 0.480 655 A N 0.076 123.063 122.820 0.277 0.000 2.016 655 A HA 0.117 4.451 4.320 0.024 0.000 0.217 655 A C 2.404 180.060 177.584 0.120 0.000 1.162 655 A CA 1.202 53.346 52.037 0.179 0.000 0.662 655 A CB -1.301 17.764 19.000 0.109 0.000 0.812 655 A HN 0.381 nan 8.150 nan 0.000 0.450 656 G N -0.827 108.029 108.800 0.094 0.000 2.448 656 G HA2 0.283 4.257 3.960 0.024 0.000 0.218 656 G HA3 0.283 4.257 3.960 0.024 0.000 0.218 656 G C 0.667 175.617 174.900 0.084 0.000 1.135 656 G CA 0.962 46.099 45.100 0.062 0.000 0.784 656 G HN 1.052 nan 8.290 nan 0.000 0.543 657 A N 0.805 123.711 122.820 0.144 0.000 3.216 657 A HA 0.679 5.013 4.320 0.024 0.000 0.321 657 A C -2.654 175.100 177.584 0.282 0.000 1.042 657 A CA -1.102 51.036 52.037 0.169 0.000 0.838 657 A CB 1.115 20.206 19.000 0.152 0.000 1.136 657 A HN 0.112 nan 8.150 nan 0.000 0.483 658 P HA 0.039 nan 4.420 nan 0.000 0.270 658 P C 1.321 178.482 177.300 -0.231 0.000 1.227 658 P CA 0.398 63.481 63.100 -0.029 0.000 0.788 658 P CB 0.731 32.385 31.700 -0.078 0.000 0.926 659 S N 0.772 115.965 115.700 -0.844 0.000 2.469 659 S HA -0.142 4.342 4.470 0.024 0.000 0.238 659 S C 1.787 176.235 174.600 -0.252 0.000 0.998 659 S CA 0.914 58.733 58.200 -0.635 0.000 0.957 659 S CB -1.323 61.395 63.200 -0.803 0.000 0.764 659 S HN 0.355 nan 8.310 nan 0.000 0.514 660 L N 1.804 122.885 121.223 -0.237 0.000 2.129 660 L HA -0.102 4.252 4.340 0.024 0.000 0.212 660 L C 2.935 179.618 176.870 -0.313 0.000 1.087 660 L CA 1.676 56.367 54.840 -0.249 0.000 0.757 660 L CB -1.429 40.456 42.059 -0.289 0.000 0.896 660 L HN 0.638 nan 8.230 nan 0.000 0.434 661 T N -3.296 111.151 114.554 -0.178 0.000 3.107 661 T HA 0.211 4.575 4.350 0.024 0.000 0.249 661 T C 0.402 175.209 174.700 0.177 0.000 1.096 661 T CA 0.143 62.227 62.100 -0.028 0.000 1.012 661 T CB -0.348 68.610 68.868 0.150 0.000 0.977 661 T HN 0.158 nan 8.240 nan 0.000 0.527 662 V N -2.420 117.552 119.914 0.097 0.000 3.103 662 V HA 0.575 4.709 4.120 0.024 0.000 0.318 662 V C -0.091 176.052 176.094 0.081 0.000 1.114 662 V CA -0.949 61.431 62.300 0.134 0.000 1.020 662 V CB 2.076 33.992 31.823 0.156 0.000 1.085 662 V HN 0.000 nan 8.190 nan 0.000 0.446 663 D N 0.923 121.373 120.400 0.083 0.000 2.367 663 D HA 0.513 5.167 4.640 0.024 0.000 0.207 663 D C 0.522 176.807 176.300 -0.026 0.000 1.034 663 D CA 1.419 55.439 54.000 0.033 0.000 0.861 663 D CB 1.463 42.304 40.800 0.067 0.000 0.943 663 D HN 1.005 nan 8.370 nan 0.000 0.515 664 A N -0.005 122.818 122.820 0.004 0.000 2.567 664 A HA 0.511 4.845 4.320 0.024 0.000 0.291 664 A C -1.687 175.917 177.584 0.034 0.000 1.048 664 A CA -0.573 51.455 52.037 -0.016 0.000 0.661 664 A CB 1.288 20.264 19.000 -0.040 0.000 1.288 664 A HN -0.107 nan 8.150 nan 0.000 0.424 665 V N 0.987 120.915 119.914 0.023 0.000 2.638 665 V HA 0.595 4.729 4.120 0.024 0.000 0.306 665 V C -0.717 175.388 176.094 0.020 0.000 1.052 665 V CA -0.219 62.110 62.300 0.049 0.000 0.885 665 V CB 1.613 33.487 31.823 0.086 0.000 0.999 665 V HN 0.716 nan 8.190 nan 0.000 0.424 666 I N 4.003 124.592 120.570 0.032 0.000 2.465 666 I HA 0.576 4.760 4.170 0.024 0.000 0.291 666 I C -0.866 175.281 176.117 0.049 0.000 1.014 666 I CA -0.966 60.378 61.300 0.073 0.000 1.093 666 I CB 2.331 40.401 38.000 0.116 0.000 1.267 666 I HN 0.288 nan 8.210 nan 0.000 0.431 667 V N 7.486 127.446 119.914 0.076 0.000 2.350 667 V HA 0.362 4.496 4.120 0.024 0.000 0.285 667 V C -2.180 173.964 176.094 0.084 0.000 1.014 667 V CA -1.602 60.728 62.300 0.049 0.000 0.831 667 V CB 1.328 33.159 31.823 0.014 0.000 1.000 667 V HN 0.549 nan 8.190 nan 0.000 0.433 668 P HA 0.400 nan 4.420 nan 0.000 0.276 668 P C -0.206 177.107 177.300 0.023 0.000 1.252 668 P CA -0.186 62.922 63.100 0.014 0.000 0.802 668 P CB 1.188 32.889 31.700 0.001 0.000 1.035 669 A N 0.700 123.509 122.820 -0.019 0.000 2.310 669 A HA 0.678 5.012 4.320 0.024 0.000 0.260 669 A C 0.837 178.421 177.584 0.001 0.000 1.112 669 A CA 0.682 52.715 52.037 -0.007 0.000 0.804 669 A CB -0.783 18.193 19.000 -0.040 0.000 1.081 669 A HN 0.838 nan 8.150 nan 0.000 0.499 670 G N -0.618 108.184 108.800 0.003 0.000 2.295 670 G HA2 -0.088 3.886 3.960 0.024 0.000 0.155 670 G HA3 -0.088 3.886 3.960 0.024 0.000 0.155 670 G C -0.216 174.690 174.900 0.009 0.000 1.307 670 G CA -0.065 45.036 45.100 0.001 0.000 1.140 670 G HN 1.017 nan 8.290 nan 0.000 0.470 671 N N 1.600 120.311 118.700 0.019 0.000 2.971 671 N HA 0.126 4.880 4.740 0.024 0.000 0.294 671 N C 1.342 176.880 175.510 0.046 0.000 1.210 671 N CA -0.572 52.493 53.050 0.026 0.000 1.157 671 N CB -0.167 38.338 38.487 0.029 0.000 1.450 671 N HN 0.343 nan 8.380 nan 0.000 0.527 672 I N 1.694 122.279 120.570 0.026 0.000 2.454 672 I HA -0.205 3.979 4.170 0.024 0.000 0.254 672 I C 2.364 178.475 176.117 -0.010 0.000 1.156 672 I CA 0.702 62.015 61.300 0.022 0.000 1.433 672 I CB -1.430 36.546 38.000 -0.040 0.000 1.082 672 I HN 0.440 nan 8.210 nan 0.000 0.432 673 A N 0.409 123.219 122.820 -0.017 0.000 2.070 673 A HA -0.246 4.088 4.320 0.024 0.000 0.220 673 A C 2.063 179.660 177.584 0.021 0.000 1.159 673 A CA 1.733 53.756 52.037 -0.024 0.000 0.656 673 A CB -0.638 18.347 19.000 -0.024 0.000 0.800 673 A HN 0.400 nan 8.150 nan 0.000 0.453 674 D N 0.512 120.952 120.400 0.067 0.000 2.158 674 D HA -0.175 4.480 4.640 0.024 0.000 0.197 674 D C 1.511 177.893 176.300 0.137 0.000 0.995 674 D CA 1.903 55.973 54.000 0.117 0.000 0.846 674 D CB -0.174 40.734 40.800 0.180 0.000 0.941 674 D HN 0.654 nan 8.370 nan 0.000 0.456 675 I N -4.282 116.384 120.570 0.159 0.000 4.327 675 I HA 0.478 4.662 4.170 0.024 0.000 0.331 675 I C 1.902 178.125 176.117 0.177 0.000 1.348 675 I CA -0.047 61.365 61.300 0.187 0.000 1.152 675 I CB 0.054 38.217 38.000 0.271 0.000 1.151 675 I HN -0.098 nan 8.210 nan 0.000 0.410 676 A N 1.553 124.395 122.820 0.037 0.000 1.986 676 A HA -0.198 4.136 4.320 0.024 0.000 0.220 676 A C 1.637 179.195 177.584 -0.043 0.000 1.171 676 A CA 2.223 54.161 52.037 -0.164 0.000 0.640 676 A CB -0.499 18.354 19.000 -0.245 0.000 0.811 676 A HN 0.525 nan 8.150 nan 0.000 0.451 677 D N -0.944 119.459 120.400 0.005 0.000 2.402 677 D HA 0.032 4.687 4.640 0.024 0.000 0.216 677 D C -0.061 176.259 176.300 0.033 0.000 1.128 677 D CA -0.174 53.832 54.000 0.011 0.000 0.833 677 D CB -0.134 40.664 40.800 -0.002 0.000 0.971 677 D HN 0.360 nan 8.370 nan 0.000 0.503 678 N N 1.018 119.750 118.700 0.052 0.000 2.411 678 N HA 0.036 4.791 4.740 0.024 0.000 0.259 678 N C 1.354 176.884 175.510 0.033 0.000 1.103 678 N CA 0.014 53.089 53.050 0.042 0.000 0.954 678 N CB 1.511 40.028 38.487 0.049 0.000 1.085 678 N HN -0.021 nan 8.380 nan 0.000 0.485 679 G N 3.410 112.231 108.800 0.036 0.000 2.440 679 G HA2 -0.280 3.695 3.960 0.024 0.000 0.218 679 G HA3 -0.280 3.695 3.960 0.024 0.000 0.218 679 G C 0.954 175.889 174.900 0.058 0.000 1.154 679 G CA 0.623 45.748 45.100 0.042 0.000 0.767 679 G HN 0.608 nan 8.290 nan 0.000 0.552 680 D N 0.876 121.311 120.400 0.057 0.000 2.117 680 D HA -0.022 4.632 4.640 0.024 0.000 0.197 680 D C 2.800 179.066 176.300 -0.056 0.000 0.987 680 D CA 1.262 55.320 54.000 0.097 0.000 0.829 680 D CB -0.461 40.463 40.800 0.206 0.000 0.961 680 D HN 0.321 nan 8.370 nan 0.000 0.460 681 A N 1.083 123.703 122.820 -0.334 0.000 1.873 681 A HA -0.177 4.157 4.320 0.024 0.000 0.215 681 A C 2.010 179.399 177.584 -0.324 0.000 1.186 681 A CA 1.248 52.874 52.037 -0.686 0.000 0.616 681 A CB -0.519 18.050 19.000 -0.718 0.000 0.823 681 A HN 0.154 nan 8.150 nan 0.000 0.442 682 N N -1.344 117.309 118.700 -0.078 0.000 2.069 682 N HA -0.218 4.536 4.740 0.024 0.000 0.191 682 N C 1.710 177.212 175.510 -0.014 0.000 1.031 682 N CA 1.930 54.985 53.050 0.010 0.000 0.852 682 N CB -0.514 38.044 38.487 0.118 0.000 1.018 682 N HN 0.680 nan 8.380 nan 0.000 0.423 683 Y N 0.601 120.866 120.300 -0.059 0.000 2.274 683 Y HA -0.264 4.300 4.550 0.024 0.000 0.290 683 Y C 2.376 178.232 175.900 -0.075 0.000 1.145 683 Y CA 1.190 59.254 58.100 -0.060 0.000 1.203 683 Y CB -0.343 38.089 38.460 -0.047 0.000 0.984 683 Y HN 0.041 nan 8.280 nan 0.000 0.533 684 Y N 0.250 120.438 120.300 -0.186 0.000 2.151 684 Y HA -0.321 4.243 4.550 0.024 0.000 0.284 684 Y C 2.069 177.783 175.900 -0.310 0.000 1.166 684 Y CA 2.114 60.074 58.100 -0.234 0.000 1.163 684 Y CB -0.410 37.918 38.460 -0.219 0.000 0.974 684 Y HN 0.118 nan 8.280 nan 0.000 0.511 685 L N -1.292 119.849 121.223 -0.136 0.000 2.109 685 L HA -0.227 4.127 4.340 0.024 0.000 0.207 685 L C 2.372 179.121 176.870 -0.202 0.000 1.086 685 L CA 1.181 55.925 54.840 -0.161 0.000 0.760 685 L CB -0.486 41.442 42.059 -0.219 0.000 0.910 685 L HN 0.285 nan 8.230 nan 0.000 0.437 686 M N -0.430 118.995 119.600 -0.292 0.000 2.086 686 M HA -0.236 4.258 4.480 0.024 0.000 0.261 686 M C 2.257 178.293 176.300 -0.441 0.000 1.067 686 M CA 1.764 56.876 55.300 -0.313 0.000 1.116 686 M CB -0.371 32.042 32.600 -0.311 0.000 1.348 686 M HN 0.188 nan 8.290 nan 0.000 0.407 687 E N 0.415 120.152 120.200 -0.773 0.000 2.038 687 E HA -0.224 4.140 4.350 0.024 0.000 0.195 687 E C 1.976 178.191 176.600 -0.641 0.000 1.000 687 E CA 1.498 57.414 56.400 -0.808 0.000 0.803 687 E CB -0.029 29.177 29.700 -0.824 0.000 0.750 687 E HN 0.490 nan 8.360 nan 0.000 0.448 688 A N 0.102 122.672 122.820 -0.417 0.000 1.933 688 A HA -0.203 4.131 4.320 0.024 0.000 0.218 688 A C 2.022 179.490 177.584 -0.193 0.000 1.175 688 A CA 1.456 53.345 52.037 -0.248 0.000 0.628 688 A CB -0.881 18.034 19.000 -0.141 0.000 0.814 688 A HN 0.544 nan 8.150 nan 0.000 0.444 689 Y N 0.544 120.675 120.300 -0.282 0.000 2.114 689 Y HA -0.237 4.327 4.550 0.024 0.000 0.284 689 Y C 2.427 178.194 175.900 -0.223 0.000 1.143 689 Y CA 2.411 60.378 58.100 -0.222 0.000 1.135 689 Y CB -0.304 38.044 38.460 -0.187 0.000 0.980 689 Y HN 0.316 nan 8.280 nan 0.000 0.499 690 K N -0.629 119.637 120.400 -0.224 0.000 2.074 690 K HA -0.253 4.081 4.320 0.024 0.000 0.209 690 K C 1.089 177.554 176.600 -0.224 0.000 1.048 690 K CA 2.195 58.323 56.287 -0.264 0.000 0.926 690 K CB -0.460 31.840 32.500 -0.333 0.000 0.713 690 K HN 0.597 nan 8.250 nan 0.000 0.444 691 H N 0.095 119.040 119.070 -0.208 0.000 2.538 691 H HA 0.191 4.762 4.556 0.024 0.000 0.286 691 H C -0.059 175.107 175.328 -0.270 0.000 1.035 691 H CA 0.173 56.099 56.048 -0.203 0.000 1.169 691 H CB 0.112 29.752 29.762 -0.204 0.000 1.417 691 H HN 0.131 nan 8.280 nan 0.000 0.567 692 L N -0.305 120.763 121.223 -0.259 0.000 4.351 692 L HA -0.270 4.084 4.340 0.024 0.000 0.410 692 L C -0.301 176.308 176.870 -0.435 0.000 1.150 692 L CA 0.598 55.199 54.840 -0.398 0.000 0.961 692 L CB -1.692 40.112 42.059 -0.425 0.000 2.130 692 L HN 0.301 nan 8.230 nan 0.000 0.787 693 K N 0.826 121.034 120.400 -0.320 0.000 2.118 693 K HA 0.495 4.829 4.320 0.024 0.000 0.267 693 K C -2.170 174.293 176.600 -0.228 0.000 0.991 693 K CA -1.794 54.327 56.287 -0.276 0.000 0.916 693 K CB 0.770 33.161 32.500 -0.181 0.000 1.041 693 K HN -0.230 nan 8.250 nan 0.000 0.455 694 P HA 0.083 nan 4.420 nan 0.000 0.268 694 P C -0.777 176.460 177.300 -0.105 0.000 1.205 694 P CA 0.343 63.345 63.100 -0.165 0.000 0.771 694 P CB 0.463 32.064 31.700 -0.165 0.000 0.858 695 I N 1.644 122.167 120.570 -0.077 0.000 2.582 695 I HA 0.640 4.824 4.170 0.024 0.000 0.292 695 I C -0.476 175.607 176.117 -0.057 0.000 1.066 695 I CA -0.825 60.451 61.300 -0.041 0.000 1.053 695 I CB 2.299 40.301 38.000 0.003 0.000 1.241 695 I HN 0.256 nan 8.210 nan 0.000 0.421 696 A N 7.303 130.102 122.820 -0.035 0.000 2.356 696 A HA 0.910 5.244 4.320 0.024 0.000 0.310 696 A C -1.250 176.459 177.584 0.207 0.000 1.075 696 A CA -0.436 51.584 52.037 -0.028 0.000 0.746 696 A CB 1.174 20.021 19.000 -0.256 0.000 1.221 696 A HN 0.650 nan 8.150 nan 0.000 0.443 697 L N 2.102 123.513 121.223 0.312 0.000 2.404 697 L HA 0.702 5.057 4.340 0.024 0.000 0.272 697 L C 0.150 177.189 176.870 0.282 0.000 0.980 697 L CA -0.575 54.424 54.840 0.264 0.000 0.836 697 L CB 1.961 44.125 42.059 0.176 0.000 1.238 697 L HN 0.808 nan 8.230 nan 0.000 0.408 698 A N 2.294 125.172 122.820 0.097 0.000 2.317 698 A HA 0.870 5.204 4.320 0.024 0.000 0.327 698 A C 0.640 178.190 177.584 -0.058 0.000 1.178 698 A CA 0.322 52.276 52.037 -0.140 0.000 0.817 698 A CB 1.220 19.969 19.000 -0.419 0.000 1.189 698 A HN 1.001 nan 8.150 nan 0.000 0.489 699 G N 2.201 110.964 108.800 -0.062 0.000 2.596 699 G HA2 -0.359 3.615 3.960 0.024 0.000 0.295 699 G HA3 -0.359 3.615 3.960 0.024 0.000 0.295 699 G C 0.581 175.477 174.900 -0.008 0.000 1.240 699 G CA 0.737 45.815 45.100 -0.038 0.000 0.985 699 G HN 1.170 nan 8.290 nan 0.000 0.555 700 D N 1.220 121.613 120.400 -0.012 0.000 2.350 700 D HA 0.120 4.774 4.640 0.024 0.000 0.216 700 D C 2.368 178.667 176.300 -0.002 0.000 0.968 700 D CA 1.598 55.587 54.000 -0.018 0.000 0.894 700 D CB -0.686 40.096 40.800 -0.030 0.000 0.909 700 D HN 0.990 nan 8.370 nan 0.000 0.520 701 A N 1.222 124.078 122.820 0.059 0.000 2.131 701 A HA -0.178 4.156 4.320 0.024 0.000 0.220 701 A C 2.189 179.882 177.584 0.182 0.000 1.158 701 A CA 0.702 52.847 52.037 0.180 0.000 0.665 701 A CB -0.705 18.421 19.000 0.210 0.000 0.795 701 A HN 0.130 nan 8.150 nan 0.000 0.460 702 R N -0.389 120.163 120.500 0.087 0.000 2.293 702 R HA -0.075 4.280 4.340 0.024 0.000 0.219 702 R C 1.721 178.032 176.300 0.020 0.000 1.091 702 R CA 1.188 57.330 56.100 0.070 0.000 1.004 702 R CB -0.174 30.153 30.300 0.045 0.000 0.865 702 R HN 0.524 nan 8.270 nan 0.000 0.469 703 K N -0.180 120.186 120.400 -0.058 0.000 2.211 703 K HA -0.127 4.207 4.320 0.024 0.000 0.204 703 K C 1.282 177.774 176.600 -0.179 0.000 1.047 703 K CA 1.229 57.423 56.287 -0.154 0.000 0.935 703 K CB -0.086 32.263 32.500 -0.252 0.000 0.728 703 K HN 0.160 nan 8.250 nan 0.000 0.452 704 F N 1.421 121.346 119.950 -0.041 0.000 2.546 704 F HA -0.114 4.428 4.527 0.024 0.000 0.298 704 F C 1.889 177.642 175.800 -0.079 0.000 1.120 704 F CA 0.773 58.737 58.000 -0.060 0.000 1.456 704 F CB -0.048 38.917 39.000 -0.058 0.000 1.088 704 F HN -0.058 nan 8.300 nan 0.000 0.572 705 K N 0.348 120.797 120.400 0.082 0.000 2.113 705 K HA -0.242 4.092 4.320 0.024 0.000 0.208 705 K C 2.328 178.903 176.600 -0.042 0.000 1.047 705 K CA 1.242 57.529 56.287 0.000 0.000 0.928 705 K CB -0.396 32.101 32.500 -0.006 0.000 0.716 705 K HN 0.285 nan 8.250 nan 0.000 0.446 706 A N 0.743 123.543 122.820 -0.033 0.000 1.933 706 A HA -0.163 4.171 4.320 0.024 0.000 0.218 706 A C 2.161 179.717 177.584 -0.046 0.000 1.175 706 A CA 2.030 54.040 52.037 -0.046 0.000 0.628 706 A CB -0.872 18.098 19.000 -0.050 0.000 0.814 706 A HN 0.280 nan 8.150 nan 0.000 0.444 707 T N 0.752 115.298 114.554 -0.014 0.000 2.720 707 T HA -0.134 4.230 4.350 0.024 0.000 0.268 707 T C 1.537 176.176 174.700 -0.103 0.000 1.037 707 T CA 1.753 63.846 62.100 -0.011 0.000 1.144 707 T CB -0.494 68.424 68.868 0.083 0.000 0.864 707 T HN 0.728 nan 8.240 nan 0.000 0.444 708 I N -2.316 118.140 120.570 -0.190 0.000 3.976 708 I HA 0.387 4.572 4.170 0.024 0.000 0.337 708 I C -0.156 175.700 176.117 -0.434 0.000 1.359 708 I CA -0.402 60.643 61.300 -0.425 0.000 1.098 708 I CB 0.032 37.610 38.000 -0.703 0.000 1.027 708 I HN -0.094 nan 8.210 nan 0.000 0.394 709 K N 2.053 122.319 120.400 -0.223 0.000 3.181 709 K HA -0.087 4.248 4.320 0.024 0.000 0.269 709 K C -0.499 176.024 176.600 -0.129 0.000 1.097 709 K CA 0.350 56.551 56.287 -0.144 0.000 0.783 709 K CB -1.365 31.069 32.500 -0.109 0.000 1.267 709 K HN 0.331 nan 8.250 nan 0.000 0.484 710 I N 0.702 121.200 120.570 -0.121 0.000 2.353 710 I HA 0.275 4.459 4.170 0.024 0.000 0.293 710 I C 1.398 177.495 176.117 -0.034 0.000 0.992 710 I CA -0.843 60.414 61.300 -0.071 0.000 1.268 710 I CB 0.897 38.860 38.000 -0.061 0.000 1.387 710 I HN 0.253 nan 8.210 nan 0.000 0.478 711 A N 4.833 127.645 122.820 -0.014 0.000 2.492 711 A HA 0.053 4.387 4.320 0.024 0.000 0.236 711 A C 1.131 178.711 177.584 -0.005 0.000 1.078 711 A CA -0.077 51.956 52.037 -0.007 0.000 0.773 711 A CB 0.053 19.054 19.000 0.002 0.000 1.023 711 A HN 0.771 nan 8.150 nan 0.000 0.504 712 D N 0.146 120.543 120.400 -0.005 0.000 2.116 712 D HA -0.182 4.472 4.640 0.024 0.000 0.193 712 D C 1.957 178.259 176.300 0.003 0.000 0.998 712 D CA 1.930 55.928 54.000 -0.002 0.000 0.836 712 D CB -0.078 40.720 40.800 -0.003 0.000 0.951 712 D HN 0.770 nan 8.370 nan 0.000 0.449 713 Q N 1.069 120.872 119.800 0.004 0.000 2.482 713 Q HA 0.070 4.424 4.340 0.024 0.000 0.209 713 Q C 0.692 176.697 176.000 0.009 0.000 0.961 713 Q CA 1.079 56.886 55.803 0.006 0.000 0.945 713 Q CB -0.050 28.692 28.738 0.006 0.000 1.012 713 Q HN 0.170 nan 8.270 nan 0.000 0.515 714 G N 1.277 110.082 108.800 0.009 0.000 2.757 714 G HA2 -0.244 3.730 3.960 0.024 0.000 0.638 714 G HA3 -0.244 3.730 3.960 0.024 0.000 0.638 714 G C -1.144 173.763 174.900 0.012 0.000 1.344 714 G CA -0.155 44.952 45.100 0.011 0.000 0.855 714 G HN 0.653 nan 8.290 nan 0.000 0.537 715 E N -0.815 119.394 120.200 0.014 0.000 2.372 715 E HA 0.549 4.913 4.350 0.024 0.000 0.279 715 E C -0.713 175.888 176.600 0.002 0.000 0.946 715 E CA -1.059 55.351 56.400 0.016 0.000 0.769 715 E CB 1.436 31.160 29.700 0.039 0.000 1.230 715 E HN 0.403 nan 8.360 nan 0.000 0.442 716 E N 1.094 121.287 120.200 -0.012 0.000 2.652 716 E HA 0.139 4.503 4.350 0.024 0.000 0.255 716 E C 0.951 177.516 176.600 -0.058 0.000 0.952 716 E CA 1.828 58.206 56.400 -0.038 0.000 0.947 716 E CB 0.675 30.350 29.700 -0.041 0.000 0.912 716 E HN 0.945 nan 8.360 nan 0.000 0.489 717 G N 2.848 111.599 108.800 -0.082 0.000 2.195 717 G HA2 -0.208 3.766 3.960 0.024 0.000 0.224 717 G HA3 -0.208 3.766 3.960 0.024 0.000 0.224 717 G C 0.137 174.992 174.900 -0.075 0.000 0.990 717 G CA -0.269 44.764 45.100 -0.113 0.000 0.639 717 G HN 0.407 nan 8.290 nan 0.000 0.514 718 I N 2.071 122.619 120.570 -0.036 0.000 2.354 718 I HA 0.465 4.649 4.170 0.024 0.000 0.286 718 I C 0.455 176.540 176.117 -0.053 0.000 1.007 718 I CA -1.177 60.111 61.300 -0.020 0.000 1.167 718 I CB 1.325 39.342 38.000 0.028 0.000 1.320 718 I HN -0.104 nan 8.210 nan 0.000 0.458 719 V N 7.520 127.367 119.914 -0.112 0.000 2.461 719 V HA 0.372 4.506 4.120 0.024 0.000 0.275 719 V C 0.239 176.302 176.094 -0.051 0.000 1.047 719 V CA -0.393 61.795 62.300 -0.187 0.000 0.955 719 V CB 1.106 32.644 31.823 -0.474 0.000 0.988 719 V HN 0.867 nan 8.190 nan 0.000 0.471 720 E N 4.353 124.594 120.200 0.068 0.000 2.343 720 E HA 0.871 5.235 4.350 0.024 0.000 0.278 720 E C -1.010 175.734 176.600 0.241 0.000 0.910 720 E CA -0.942 55.588 56.400 0.217 0.000 0.757 720 E CB 2.524 32.295 29.700 0.119 0.000 1.218 720 E HN 0.781 nan 8.360 nan 0.000 0.435 721 A N 1.903 124.877 122.820 0.256 0.000 2.564 721 A HA 0.372 4.706 4.320 0.024 0.000 0.291 721 A C -0.529 177.070 177.584 0.026 0.000 1.102 721 A CA -0.583 51.540 52.037 0.143 0.000 0.660 721 A CB 1.156 20.283 19.000 0.212 0.000 1.283 721 A HN 0.591 nan 8.150 nan 0.000 0.430 722 D N 0.444 120.841 120.400 -0.004 0.000 2.178 722 D HA 0.046 4.700 4.640 0.024 0.000 0.201 722 D C 1.024 177.266 176.300 -0.095 0.000 0.980 722 D CA 2.353 56.331 54.000 -0.037 0.000 0.842 722 D CB 0.098 40.883 40.800 -0.025 0.000 0.948 722 D HN 0.823 nan 8.370 nan 0.000 0.472 723 S N -2.059 113.550 115.700 -0.152 0.000 2.596 723 S HA 0.629 5.113 4.470 0.024 0.000 0.270 723 S C -0.138 174.177 174.600 -0.474 0.000 1.155 723 S CA -0.379 57.673 58.200 -0.246 0.000 0.827 723 S CB 1.774 64.888 63.200 -0.144 0.000 1.130 723 S HN -0.063 nan 8.310 nan 0.000 0.467 724 A N 1.064 123.541 122.820 -0.570 0.000 2.310 724 A HA 0.319 4.653 4.320 0.024 0.000 0.230 724 A C 0.573 178.026 177.584 -0.218 0.000 1.294 724 A CA 0.355 51.910 52.037 -0.803 0.000 0.898 724 A CB -1.304 17.336 19.000 -0.600 0.000 0.917 724 A HN 0.876 nan 8.150 nan 0.000 0.491 725 D N -1.885 118.440 120.400 -0.125 0.000 2.567 725 D HA 0.523 5.178 4.640 0.024 0.000 0.275 725 D C 1.076 177.407 176.300 0.052 0.000 1.195 725 D CA 0.307 54.299 54.000 -0.014 0.000 1.087 725 D CB -0.237 40.545 40.800 -0.029 0.000 1.165 725 D HN 0.627 nan 8.370 nan 0.000 0.609 726 G N 0.031 108.857 108.800 0.043 0.000 2.634 726 G HA2 -0.330 3.644 3.960 0.024 0.000 0.309 726 G HA3 -0.330 3.644 3.960 0.024 0.000 0.309 726 G C 0.894 175.842 174.900 0.081 0.000 1.265 726 G CA 2.000 47.132 45.100 0.054 0.000 0.998 726 G HN 1.365 nan 8.290 nan 0.000 0.551 727 S N -0.075 115.677 115.700 0.087 0.000 2.603 727 S HA 0.281 4.765 4.470 0.024 0.000 0.220 727 S C 1.831 176.496 174.600 0.109 0.000 0.967 727 S CA 1.139 59.384 58.200 0.075 0.000 0.920 727 S CB -0.101 63.127 63.200 0.046 0.000 0.773 727 S HN 0.974 nan 8.310 nan 0.000 0.529 728 F N 2.319 122.266 119.950 -0.004 0.000 2.095 728 F HA -0.071 4.471 4.527 0.024 0.000 0.298 728 F C 2.200 177.996 175.800 -0.007 0.000 1.104 728 F CA 1.623 59.621 58.000 -0.004 0.000 1.232 728 F CB -0.190 38.809 39.000 -0.003 0.000 0.987 728 F HN 0.176 nan 8.300 nan 0.000 0.475 729 M N 0.049 119.760 119.600 0.186 0.000 2.200 729 M HA -0.137 4.357 4.480 0.024 0.000 0.265 729 M C 1.764 178.053 176.300 -0.018 0.000 1.066 729 M CA 1.225 56.566 55.300 0.069 0.000 1.127 729 M CB -1.296 31.379 32.600 0.125 0.000 1.379 729 M HN 0.115 nan 8.290 nan 0.000 0.420 730 D N 0.581 120.981 120.400 0.001 0.000 2.117 730 D HA -0.151 4.503 4.640 0.024 0.000 0.197 730 D C 1.941 178.209 176.300 -0.053 0.000 0.987 730 D CA 1.195 55.183 54.000 -0.019 0.000 0.829 730 D CB -0.124 40.675 40.800 -0.002 0.000 0.961 730 D HN 0.468 nan 8.370 nan 0.000 0.460 731 E N 0.348 120.498 120.200 -0.082 0.000 2.110 731 E HA -0.109 4.255 4.350 0.024 0.000 0.193 731 E C 2.118 178.628 176.600 -0.151 0.000 0.988 731 E CA 0.136 56.469 56.400 -0.111 0.000 0.804 731 E CB -0.011 29.612 29.700 -0.128 0.000 0.745 731 E HN 0.158 nan 8.360 nan 0.000 0.458 732 L N 0.941 122.036 121.223 -0.214 0.000 2.017 732 L HA -0.176 4.178 4.340 0.024 0.000 0.208 732 L C 2.123 178.918 176.870 -0.125 0.000 1.073 732 L CA 1.611 56.323 54.840 -0.213 0.000 0.745 732 L CB -0.431 41.459 42.059 -0.282 0.000 0.894 732 L HN 0.241 nan 8.230 nan 0.000 0.432 733 L N -0.510 120.660 121.223 -0.088 0.000 2.131 733 L HA -0.202 4.152 4.340 0.024 0.000 0.210 733 L C 2.458 179.299 176.870 -0.048 0.000 1.092 733 L CA 1.456 56.264 54.840 -0.055 0.000 0.759 733 L CB -0.696 41.342 42.059 -0.035 0.000 0.903 733 L HN 0.259 nan 8.230 nan 0.000 0.435 734 T N 0.059 114.580 114.554 -0.056 0.000 2.737 734 T HA -0.142 4.222 4.350 0.024 0.000 0.265 734 T C 1.952 176.616 174.700 -0.059 0.000 1.038 734 T CA 1.171 63.244 62.100 -0.046 0.000 1.144 734 T CB -0.218 68.624 68.868 -0.043 0.000 0.866 734 T HN 0.190 nan 8.240 nan 0.000 0.434 735 L N 0.324 121.493 121.223 -0.090 0.000 2.042 735 L HA -0.113 4.241 4.340 0.024 0.000 0.210 735 L C 2.722 179.522 176.870 -0.116 0.000 1.076 735 L CA 1.396 56.162 54.840 -0.123 0.000 0.749 735 L CB -0.562 41.406 42.059 -0.152 0.000 0.893 735 L HN 0.313 nan 8.230 nan 0.000 0.432 736 M N -0.834 118.714 119.600 -0.086 0.000 2.175 736 M HA -0.163 4.331 4.480 0.024 0.000 0.264 736 M C 2.489 178.786 176.300 -0.004 0.000 1.063 736 M CA 1.653 56.921 55.300 -0.054 0.000 1.119 736 M CB -0.473 32.105 32.600 -0.037 0.000 1.377 736 M HN 0.323 nan 8.290 nan 0.000 0.415 737 A N 0.332 123.150 122.820 -0.002 0.000 1.972 737 A HA 0.005 4.339 4.320 0.024 0.000 0.219 737 A C 2.115 179.736 177.584 0.063 0.000 1.169 737 A CA 1.765 53.822 52.037 0.033 0.000 0.635 737 A CB -0.653 18.361 19.000 0.023 0.000 0.810 737 A HN 0.504 nan 8.150 nan 0.000 0.446 738 A N -2.584 120.248 122.820 0.021 0.000 2.302 738 A HA 0.365 4.700 4.320 0.024 0.000 0.219 738 A C 0.886 178.488 177.584 0.030 0.000 1.243 738 A CA 1.211 53.274 52.037 0.044 0.000 0.856 738 A CB -0.554 18.436 19.000 -0.016 0.000 0.893 738 A HN 0.988 nan 8.150 nan 0.000 0.491 739 H N -1.198 117.813 119.070 -0.099 0.000 4.884 739 H HA -0.196 4.374 4.556 0.024 0.000 0.061 739 H C 0.149 175.258 175.328 -0.364 0.000 0.590 739 H CA 2.431 58.403 56.048 -0.127 0.000 0.961 739 H CB -0.594 29.199 29.762 0.052 0.000 0.443 739 H HN 0.470 nan 8.280 nan 0.000 0.794 740 R N -0.418 119.517 120.500 -0.941 0.000 2.855 740 R HA 0.637 4.992 4.340 0.024 0.000 0.266 740 R C -0.614 174.850 176.300 -1.394 0.000 1.034 740 R CA -0.291 55.011 56.100 -1.329 0.000 0.944 740 R CB 1.600 30.804 30.300 -1.826 0.000 1.219 740 R HN 0.067 nan 8.270 nan 0.000 0.474 741 V N 2.181 121.477 119.914 -1.031 0.000 2.154 741 V HA 0.107 4.241 4.120 0.024 0.000 0.265 741 V C 0.608 176.331 176.094 -0.617 0.000 1.293 741 V CA -0.453 61.431 62.300 -0.693 0.000 1.205 741 V CB -0.352 31.204 31.823 -0.445 0.000 1.306 741 V HN 0.700 nan 8.190 nan 0.000 0.479 742 W N 1.351 122.363 121.300 -0.480 0.000 2.364 742 W HA -0.205 4.469 4.660 0.023 0.000 0.281 742 W C 2.529 178.833 176.519 -0.359 0.000 1.219 742 W CA 0.953 57.929 57.345 -0.615 0.000 1.220 742 W CB -0.444 28.204 29.460 -1.354 0.000 1.127 742 W HN 0.641 nan 8.180 nan 0.000 0.556 743 S N 0.684 116.326 115.700 -0.097 0.000 2.507 743 S HA -0.146 4.339 4.470 0.024 0.000 0.235 743 S C 1.704 176.267 174.600 -0.061 0.000 0.988 743 S CA 0.936 59.107 58.200 -0.048 0.000 0.944 743 S CB -0.380 62.792 63.200 -0.047 0.000 0.762 743 S HN 0.429 nan 8.310 nan 0.000 0.526 744 R N 0.448 120.870 120.500 -0.129 0.000 2.276 744 R HA 0.302 4.656 4.340 0.024 0.000 0.196 744 R C 1.796 178.032 176.300 -0.106 0.000 0.961 744 R CA 0.313 56.316 56.100 -0.162 0.000 1.024 744 R CB -0.307 29.784 30.300 -0.349 0.000 0.940 744 R HN 0.470 nan 8.270 nan 0.000 0.480 745 I N 1.767 122.314 120.570 -0.038 0.000 2.145 745 I HA -0.244 3.940 4.170 0.024 0.000 0.244 745 I C -0.833 175.312 176.117 0.048 0.000 1.075 745 I CA 1.462 62.784 61.300 0.037 0.000 1.332 745 I CB -0.847 37.228 38.000 0.125 0.000 1.033 745 I HN 0.155 nan 8.210 nan 0.000 0.410 746 P HA -0.144 nan 4.420 nan 0.000 0.220 746 P C 1.250 178.582 177.300 0.053 0.000 1.148 746 P CA 1.304 64.436 63.100 0.055 0.000 0.803 746 P CB 0.050 31.779 31.700 0.049 0.000 0.782 747 K N -0.272 120.154 120.400 0.043 0.000 2.167 747 K HA 0.032 4.366 4.320 0.024 0.000 0.203 747 K C 1.932 178.594 176.600 0.104 0.000 1.052 747 K CA 0.731 57.067 56.287 0.081 0.000 0.956 747 K CB -0.817 31.755 32.500 0.119 0.000 0.735 747 K HN 0.275 nan 8.250 nan 0.000 0.451 748 I N -1.983 118.615 120.570 0.046 0.000 2.928 748 I HA -0.034 4.150 4.170 0.024 0.000 0.266 748 I C 1.169 177.327 176.117 0.069 0.000 1.234 748 I CA 1.127 62.458 61.300 0.053 0.000 1.483 748 I CB -0.105 37.871 38.000 -0.040 0.000 1.097 748 I HN -0.075 nan 8.210 nan 0.000 0.455 749 D N 2.859 123.301 120.400 0.070 0.000 2.203 749 D HA -0.227 4.427 4.640 0.024 0.000 0.199 749 D C 1.657 178.000 176.300 0.071 0.000 0.997 749 D CA 1.748 55.793 54.000 0.075 0.000 0.863 749 D CB 0.121 40.965 40.800 0.074 0.000 0.928 749 D HN 0.658 nan 8.370 nan 0.000 0.458 750 K N -0.627 119.814 120.400 0.069 0.000 2.469 750 K HA 0.189 4.524 4.320 0.024 0.000 0.204 750 K C 0.303 176.937 176.600 0.057 0.000 1.047 750 K CA -0.368 55.955 56.287 0.060 0.000 1.072 750 K CB 0.617 33.149 32.500 0.052 0.000 0.863 750 K HN 0.134 nan 8.250 nan 0.000 0.530 751 I N 4.321 124.932 120.570 0.067 0.000 2.496 751 I HA 0.120 4.304 4.170 0.024 0.000 0.285 751 I C -2.128 174.021 176.117 0.052 0.000 1.080 751 I CA -2.270 59.066 61.300 0.060 0.000 1.404 751 I CB 1.073 39.127 38.000 0.089 0.000 1.403 751 I HN 0.033 nan 8.210 nan 0.000 0.539 752 P HA 0.363 nan 4.420 nan 0.000 0.251 752 P C -1.050 176.304 177.300 0.090 0.000 1.718 752 P CA -0.077 63.059 63.100 0.060 0.000 1.119 752 P CB 0.511 32.241 31.700 0.050 0.000 1.762 753 A N 0.000 122.875 122.820 0.091 0.000 2.254 753 A HA 0.000 4.334 4.320 0.024 0.000 0.244 753 A CA 0.000 52.132 52.037 0.158 0.000 0.836 753 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486