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 3pq3_1_A 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 0.000 174.571 174.600 -0.048 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 28 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 29 L N -0.287 120.899 121.223 -0.062 0.000 2.194 29 L HA 1.101 5.481 4.340 0.066 0.000 0.248 29 L C 0.495 177.280 176.870 -0.142 0.000 1.071 29 L CA -1.007 53.778 54.840 -0.091 0.000 0.901 29 L CB -0.224 41.788 42.059 -0.078 0.000 1.497 29 L HN 0.329 nan 8.230 nan 0.000 0.442 30 A N 0.299 122.972 122.820 -0.245 0.000 2.483 30 A HA 0.589 4.949 4.320 0.066 0.000 0.238 30 A C -2.116 175.317 177.584 -0.253 0.000 1.070 30 A CA -0.687 51.070 52.037 -0.466 0.000 0.770 30 A CB -1.159 17.286 19.000 -0.925 0.000 1.008 30 A HN 0.685 nan 8.150 nan 0.000 0.497 31 P HA 0.092 nan 4.420 nan 0.000 0.268 31 P C 0.312 177.597 177.300 -0.025 0.000 1.205 31 P CA -0.009 63.060 63.100 -0.051 0.000 0.771 31 P CB 0.781 32.490 31.700 0.015 0.000 0.858 32 E N 1.718 121.910 120.200 -0.013 0.000 2.147 32 E HA -0.263 4.127 4.350 0.066 0.000 0.199 32 E C 1.146 177.767 176.600 0.036 0.000 1.005 32 E CA 1.946 58.349 56.400 0.006 0.000 0.810 32 E CB -0.178 29.523 29.700 0.002 0.000 0.736 32 E HN 0.560 nan 8.360 nan 0.000 0.460 33 D N -1.345 119.082 120.400 0.044 0.000 2.378 33 D HA -0.017 4.663 4.640 0.066 0.000 0.227 33 D C 1.286 177.635 176.300 0.081 0.000 1.012 33 D CA 0.878 54.909 54.000 0.051 0.000 0.905 33 D CB -0.298 40.525 40.800 0.038 0.000 0.895 33 D HN 0.289 nan 8.370 nan 0.000 0.532 34 G N 0.316 109.207 108.800 0.151 0.000 2.175 34 G HA2 -0.389 3.611 3.960 0.066 0.000 0.265 34 G HA3 -0.389 3.611 3.960 0.066 0.000 0.265 34 G C 1.126 176.106 174.900 0.133 0.000 0.979 34 G CA 1.050 46.271 45.100 0.203 0.000 0.663 34 G HN 0.757 nan 8.290 nan 0.000 0.533 35 S N 0.085 115.879 115.700 0.157 0.000 2.547 35 S HA -0.020 4.490 4.470 0.066 0.000 0.235 35 S C 1.782 176.428 174.600 0.077 0.000 0.980 35 S CA 1.400 59.646 58.200 0.077 0.000 0.941 35 S CB -0.662 62.575 63.200 0.062 0.000 0.763 35 S HN 1.076 nan 8.310 nan 0.000 0.532 36 H N 0.180 119.257 119.070 0.010 0.000 2.495 36 H HA 0.307 4.902 4.556 0.066 0.000 0.287 36 H C 1.162 176.501 175.328 0.018 0.000 1.033 36 H CA 0.472 56.527 56.048 0.012 0.000 1.307 36 H CB -0.110 29.658 29.762 0.010 0.000 1.401 36 H HN 0.293 nan 8.280 nan 0.000 0.555 37 R N 2.313 122.476 120.500 -0.561 0.000 2.265 37 R HA 0.326 4.705 4.340 0.066 0.000 0.328 37 R C -2.801 173.403 176.300 -0.160 0.000 0.969 37 R CA -2.825 53.037 56.100 -0.396 0.000 0.832 37 R CB 0.472 30.428 30.300 -0.573 0.000 1.139 37 R HN 0.124 nan 8.270 nan 0.000 0.457 38 P HA 0.092 nan 4.420 nan 0.000 0.265 38 P C -0.861 176.430 177.300 -0.016 0.000 1.193 38 P CA -0.164 62.925 63.100 -0.019 0.000 0.765 38 P CB 0.815 32.529 31.700 0.023 0.000 0.823 39 A N 3.078 125.894 122.820 -0.005 0.000 2.531 39 A HA 0.352 4.712 4.320 0.066 0.000 0.236 39 A C 0.881 178.475 177.584 0.018 0.000 1.062 39 A CA 0.252 52.290 52.037 0.002 0.000 0.760 39 A CB -0.386 18.618 19.000 0.007 0.000 0.995 39 A HN 0.581 nan 8.150 nan 0.000 0.501 40 A N 2.891 125.722 122.820 0.018 0.000 3.168 40 A HA 0.525 4.885 4.320 0.066 0.000 0.260 40 A C 0.205 177.808 177.584 0.032 0.000 1.598 40 A CA -0.118 51.936 52.037 0.028 0.000 1.285 40 A CB -0.376 18.637 19.000 0.023 0.000 1.149 40 A HN 0.744 nan 8.150 nan 0.000 0.630 41 E N 0.633 120.854 120.200 0.036 0.000 2.407 41 E HA 0.365 4.754 4.350 0.066 0.000 0.279 41 E C -3.151 173.473 176.600 0.040 0.000 1.012 41 E CA -1.839 54.583 56.400 0.036 0.000 0.800 41 E CB 2.026 31.741 29.700 0.026 0.000 1.276 41 E HN 0.108 nan 8.360 nan 0.000 0.452 42 P HA 0.107 nan 4.420 nan 0.000 0.267 42 P C -0.543 176.767 177.300 0.017 0.000 1.205 42 P CA 0.068 63.184 63.100 0.028 0.000 0.765 42 P CB 0.250 31.953 31.700 0.006 0.000 0.828 43 T N 0.515 115.075 114.554 0.010 0.000 2.916 43 T HA 0.589 4.979 4.350 0.066 0.000 0.305 43 T C -2.979 171.696 174.700 -0.041 0.000 1.119 43 T CA -2.571 59.529 62.100 0.000 0.000 1.008 43 T CB 1.604 70.478 68.868 0.009 0.000 1.129 43 T HN 0.098 nan 8.240 nan 0.000 0.480 44 P HA 0.332 nan 4.420 nan 0.000 0.272 44 P C -2.715 174.449 177.300 -0.227 0.000 1.230 44 P CA -1.434 61.525 63.100 -0.235 0.000 0.788 44 P CB -0.950 30.700 31.700 -0.083 0.000 0.949 45 P HA 0.047 nan 4.420 nan 0.000 0.265 45 P C 1.103 178.358 177.300 -0.075 0.000 1.193 45 P CA 1.388 64.390 63.100 -0.162 0.000 0.765 45 P CB -0.166 31.435 31.700 -0.165 0.000 0.823 46 G N 2.561 111.346 108.800 -0.025 0.000 2.212 46 G HA2 -0.374 3.625 3.960 0.066 0.000 0.266 46 G HA3 -0.374 3.625 3.960 0.066 0.000 0.266 46 G C 1.179 176.078 174.900 -0.002 0.000 0.978 46 G CA 0.510 45.608 45.100 -0.004 0.000 0.632 46 G HN 0.678 nan 8.290 nan 0.000 0.537 47 A N -1.300 121.514 122.820 -0.009 0.000 2.014 47 A HA 0.402 4.761 4.320 0.066 0.000 0.218 47 A C 1.349 178.937 177.584 0.006 0.000 1.163 47 A CA 2.024 54.061 52.037 -0.001 0.000 0.652 47 A CB 0.020 19.018 19.000 -0.004 0.000 0.808 47 A HN 0.505 nan 8.150 nan 0.000 0.449 48 Q N -1.212 118.595 119.800 0.012 0.000 2.456 48 Q HA 0.425 4.805 4.340 0.066 0.000 0.284 48 Q C -2.969 173.045 176.000 0.024 0.000 1.061 48 Q CA -1.981 53.832 55.803 0.017 0.000 0.799 48 Q CB 1.046 29.797 28.738 0.022 0.000 1.445 48 Q HN 0.040 nan 8.270 nan 0.000 0.411 49 P HA 0.049 nan 4.420 nan 0.000 0.269 49 P C -0.257 177.072 177.300 0.049 0.000 1.209 49 P CA 0.123 63.236 63.100 0.022 0.000 0.776 49 P CB 0.271 31.980 31.700 0.016 0.000 0.876 50 T N -0.921 113.659 114.554 0.044 0.000 2.828 50 T HA 0.671 5.061 4.350 0.066 0.000 0.290 50 T C -0.090 174.693 174.700 0.138 0.000 1.019 50 T CA -0.568 61.606 62.100 0.124 0.000 1.031 50 T CB 0.897 69.779 68.868 0.023 0.000 1.001 50 T HN 0.557 nan 8.240 nan 0.000 0.531 51 A N 1.342 124.353 122.820 0.318 0.000 2.609 51 A HA 0.778 5.137 4.320 0.066 0.000 0.291 51 A C -3.023 174.836 177.584 0.458 0.000 1.096 51 A CA -1.977 50.220 52.037 0.267 0.000 0.684 51 A CB 0.650 19.758 19.000 0.180 0.000 1.282 51 A HN 0.676 nan 8.150 nan 0.000 0.412 52 P HA 0.094 nan 4.420 nan 0.000 0.265 52 P C 1.226 178.685 177.300 0.266 0.000 1.187 52 P CA 0.954 64.281 63.100 0.380 0.000 0.766 52 P CB 0.466 32.305 31.700 0.231 0.000 0.820 53 G N 2.596 111.508 108.800 0.187 0.000 2.469 53 G HA2 -0.318 3.682 3.960 0.066 0.000 0.219 53 G HA3 -0.318 3.682 3.960 0.066 0.000 0.219 53 G C 1.570 176.487 174.900 0.029 0.000 1.150 53 G CA 1.207 46.325 45.100 0.030 0.000 0.763 53 G HN 0.606 nan 8.290 nan 0.000 0.561 54 S N -0.041 115.681 115.700 0.036 0.000 2.453 54 S HA 0.154 4.663 4.470 0.066 0.000 0.231 54 S C 2.210 176.830 174.600 0.033 0.000 1.005 54 S CA 0.750 58.957 58.200 0.012 0.000 0.949 54 S CB -0.155 63.046 63.200 0.001 0.000 0.774 54 S HN 0.321 nan 8.310 nan 0.000 0.510 55 L N -0.133 121.127 121.223 0.062 0.000 2.298 55 L HA 0.261 4.641 4.340 0.066 0.000 0.209 55 L C 2.669 179.575 176.870 0.059 0.000 1.084 55 L CA 0.726 55.602 54.840 0.060 0.000 0.816 55 L CB -0.339 41.764 42.059 0.075 0.000 0.967 55 L HN 0.236 nan 8.230 nan 0.000 0.460 56 K N 1.491 121.937 120.400 0.077 0.000 2.103 56 K HA 0.015 4.375 4.320 0.066 0.000 0.204 56 K C 0.753 177.386 176.600 0.054 0.000 1.052 56 K CA 1.346 57.678 56.287 0.076 0.000 0.945 56 K CB 0.085 32.648 32.500 0.104 0.000 0.722 56 K HN 0.160 nan 8.250 nan 0.000 0.443 57 A N 0.580 123.424 122.820 0.039 0.000 3.410 57 A HA 0.339 4.699 4.320 0.066 0.000 0.276 57 A C -2.204 175.388 177.584 0.012 0.000 0.995 57 A CA -0.902 51.155 52.037 0.033 0.000 0.934 57 A CB 0.603 19.625 19.000 0.037 0.000 1.191 57 A HN 0.149 nan 8.150 nan 0.000 0.511 58 P HA -0.096 nan 4.420 nan 0.000 0.223 58 P C 0.086 177.380 177.300 -0.009 0.000 1.151 58 P CA 1.056 64.156 63.100 0.001 0.000 0.787 58 P CB 0.354 32.059 31.700 0.008 0.000 0.788 59 D N -0.723 119.675 120.400 -0.002 0.000 2.349 59 D HA 0.008 4.687 4.640 0.066 0.000 0.215 59 D C 0.358 176.647 176.300 -0.019 0.000 1.016 59 D CA 0.651 54.647 54.000 -0.007 0.000 0.870 59 D CB -0.397 40.406 40.800 0.005 0.000 0.917 59 D HN 0.113 nan 8.370 nan 0.000 0.524 60 T N 1.775 116.315 114.554 -0.023 0.000 2.737 60 T HA 0.374 4.763 4.350 0.066 0.000 0.296 60 T C 0.473 175.130 174.700 -0.072 0.000 0.922 60 T CA -0.136 61.936 62.100 -0.047 0.000 1.079 60 T CB 1.061 69.898 68.868 -0.051 0.000 0.892 60 T HN -0.079 nan 8.240 nan 0.000 0.514 61 R N 2.681 123.133 120.500 -0.081 0.000 2.837 61 R HA 0.672 5.051 4.340 0.066 0.000 0.271 61 R C -0.570 175.673 176.300 -0.095 0.000 0.993 61 R CA -1.027 55.019 56.100 -0.090 0.000 0.931 61 R CB 1.535 31.789 30.300 -0.076 0.000 1.206 61 R HN 0.768 nan 8.270 nan 0.000 0.474 62 N N -1.722 116.923 118.700 -0.091 0.000 2.934 62 N HA 0.022 4.802 4.740 0.066 0.000 0.253 62 N C -0.041 175.424 175.510 -0.075 0.000 1.466 62 N CA -0.930 52.079 53.050 -0.069 0.000 0.858 62 N CB 0.756 39.234 38.487 -0.016 0.000 1.459 62 N HN 0.625 nan 8.380 nan 0.000 0.532 63 E N -0.334 119.835 120.200 -0.051 0.000 2.118 63 E HA -0.273 4.116 4.350 0.066 0.000 0.195 63 E C 1.029 177.558 176.600 -0.119 0.000 0.992 63 E CA 1.427 57.791 56.400 -0.061 0.000 0.804 63 E CB 0.101 29.790 29.700 -0.019 0.000 0.741 63 E HN 0.479 nan 8.360 nan 0.000 0.458 64 K N 0.744 121.039 120.400 -0.175 0.000 2.007 64 K HA -0.069 4.291 4.320 0.066 0.000 0.206 64 K C 2.101 178.536 176.600 -0.273 0.000 1.047 64 K CA 1.168 57.255 56.287 -0.332 0.000 0.937 64 K CB -0.527 31.610 32.500 -0.606 0.000 0.718 64 K HN 0.176 nan 8.250 nan 0.000 0.438 65 L N 1.052 122.130 121.223 -0.242 0.000 2.043 65 L HA -0.264 4.115 4.340 0.066 0.000 0.212 65 L C 1.902 178.656 176.870 -0.193 0.000 1.075 65 L CA 1.472 56.144 54.840 -0.279 0.000 0.752 65 L CB -0.642 41.249 42.059 -0.279 0.000 0.891 65 L HN 0.287 nan 8.230 nan 0.000 0.432 66 N N -0.337 118.276 118.700 -0.145 0.000 2.142 66 N HA -0.155 4.625 4.740 0.066 0.000 0.186 66 N C 2.039 177.488 175.510 -0.102 0.000 1.023 66 N CA 1.694 54.681 53.050 -0.106 0.000 0.852 66 N CB -0.507 37.931 38.487 -0.081 0.000 0.998 66 N HN 0.383 nan 8.380 nan 0.000 0.424 67 S N 0.560 116.189 115.700 -0.118 0.000 2.474 67 S HA 0.010 4.520 4.470 0.066 0.000 0.235 67 S C 1.819 176.356 174.600 -0.106 0.000 0.997 67 S CA 0.446 58.584 58.200 -0.103 0.000 0.949 67 S CB -0.538 62.593 63.200 -0.115 0.000 0.766 67 S HN 0.248 nan 8.310 nan 0.000 0.517 68 L N 0.761 121.907 121.223 -0.128 0.000 2.552 68 L HA 0.178 4.557 4.340 0.066 0.000 0.227 68 L C 2.591 179.413 176.870 -0.081 0.000 1.146 68 L CA 0.551 55.323 54.840 -0.112 0.000 0.858 68 L CB -0.413 41.563 42.059 -0.140 0.000 0.969 68 L HN 0.254 nan 8.230 nan 0.000 0.451 69 E N 1.000 121.156 120.200 -0.073 0.000 2.265 69 E HA -0.239 4.151 4.350 0.066 0.000 0.196 69 E C 1.683 178.259 176.600 -0.039 0.000 0.996 69 E CA 1.307 57.676 56.400 -0.052 0.000 0.832 69 E CB -0.071 29.601 29.700 -0.046 0.000 0.756 69 E HN 0.574 nan 8.360 nan 0.000 0.491 70 D N -0.562 119.812 120.400 -0.042 0.000 2.218 70 D HA -0.150 4.530 4.640 0.066 0.000 0.204 70 D C 1.631 177.912 176.300 -0.032 0.000 0.976 70 D CA 1.647 55.627 54.000 -0.034 0.000 0.853 70 D CB -0.338 40.441 40.800 -0.034 0.000 0.939 70 D HN 0.304 nan 8.370 nan 0.000 0.481 71 V N -3.686 116.207 119.914 -0.035 0.000 3.605 71 V HA 0.319 4.479 4.120 0.066 0.000 0.284 71 V C 0.869 176.950 176.094 -0.021 0.000 1.386 71 V CA -0.674 61.609 62.300 -0.028 0.000 1.053 71 V CB -0.433 31.373 31.823 -0.028 0.000 0.857 71 V HN -0.166 nan 8.190 nan 0.000 0.436 72 R N 2.030 122.516 120.500 -0.022 0.000 2.522 72 R HA 0.344 4.723 4.340 0.066 0.000 0.284 72 R C -0.339 175.956 176.300 -0.009 0.000 1.032 72 R CA 0.173 56.268 56.100 -0.009 0.000 1.049 72 R CB 0.492 30.787 30.300 -0.009 0.000 0.956 72 R HN 0.286 nan 8.270 nan 0.000 0.422 73 K N 1.405 121.803 120.400 -0.004 0.000 2.358 73 K HA 0.310 4.669 4.320 0.066 0.000 0.260 73 K C 0.004 176.609 176.600 0.008 0.000 0.956 73 K CA -0.290 55.980 56.287 -0.028 0.000 0.834 73 K CB 1.786 34.258 32.500 -0.046 0.000 1.102 73 K HN 0.668 nan 8.250 nan 0.000 0.431 74 G N 0.705 109.525 108.800 0.033 0.000 2.546 74 G HA2 0.284 4.284 3.960 0.066 0.000 0.239 74 G HA3 0.284 4.284 3.960 0.066 0.000 0.239 74 G C 0.194 175.191 174.900 0.162 0.000 1.476 74 G CA 0.291 45.469 45.100 0.131 0.000 1.064 74 G HN 0.774 nan 8.290 nan 0.000 0.561 75 S N -2.806 113.084 115.700 0.316 0.000 2.323 75 S HA 0.090 4.600 4.470 0.066 0.000 0.233 75 S C 0.196 174.976 174.600 0.301 0.000 0.898 75 S CA -0.121 58.264 58.200 0.307 0.000 1.321 75 S CB -0.014 63.273 63.200 0.145 0.000 0.921 75 S HN 0.490 nan 8.310 nan 0.000 0.398 76 E N 2.896 123.187 120.200 0.151 0.000 2.414 76 E HA 0.309 4.698 4.350 0.066 0.000 0.263 76 E C -0.202 176.303 176.600 -0.159 0.000 1.000 76 E CA 0.210 56.620 56.400 0.016 0.000 0.914 76 E CB 0.099 29.800 29.700 0.001 0.000 0.948 76 E HN 0.381 nan 8.360 nan 0.000 0.444 77 N N 0.663 119.284 118.700 -0.133 0.000 2.863 77 N HA -0.215 4.565 4.740 0.066 0.000 0.245 77 N C -1.179 174.181 175.510 -0.250 0.000 1.001 77 N CA 1.158 54.081 53.050 -0.212 0.000 0.901 77 N CB -1.342 36.973 38.487 -0.286 0.000 1.124 77 N HN 0.376 nan 8.380 nan 0.000 0.582 78 Y N 0.636 120.941 120.300 0.008 0.000 2.387 78 Y HA 0.641 5.231 4.550 0.067 0.000 0.330 78 Y C 0.919 176.822 175.900 0.004 0.000 1.133 78 Y CA -0.712 57.392 58.100 0.006 0.000 1.152 78 Y CB 1.092 39.556 38.460 0.007 0.000 1.215 78 Y HN 0.128 nan 8.280 nan 0.000 0.466 79 A N 2.896 125.829 122.820 0.189 0.000 2.462 79 A HA 0.359 4.719 4.320 0.066 0.000 0.243 79 A C -0.589 177.043 177.584 0.080 0.000 1.076 79 A CA -0.470 51.627 52.037 0.100 0.000 0.773 79 A CB 0.010 19.056 19.000 0.076 0.000 1.010 79 A HN 0.712 nan 8.150 nan 0.000 0.493 80 L N 2.908 124.158 121.223 0.047 0.000 2.410 80 L HA 0.521 4.901 4.340 0.066 0.000 0.273 80 L C 0.645 177.522 176.870 0.012 0.000 1.152 80 L CA 1.223 56.077 54.840 0.023 0.000 0.855 80 L CB 0.476 42.539 42.059 0.008 0.000 1.129 80 L HN 0.917 nan 8.230 nan 0.000 0.463 81 T N 0.328 114.883 114.554 0.002 0.000 2.883 81 T HA 0.623 5.012 4.350 0.066 0.000 0.296 81 T C 0.148 174.846 174.700 -0.003 0.000 1.117 81 T CA -0.208 61.895 62.100 0.005 0.000 1.006 81 T CB 0.995 69.869 68.868 0.010 0.000 1.191 81 T HN 0.845 nan 8.240 nan 0.000 0.508 82 T N 0.484 115.047 114.554 0.016 0.000 2.701 82 T HA 0.171 4.560 4.350 0.066 0.000 0.303 82 T C 1.087 175.801 174.700 0.024 0.000 1.030 82 T CA -0.353 61.765 62.100 0.029 0.000 1.010 82 T CB -0.085 68.841 68.868 0.097 0.000 1.007 82 T HN 0.571 nan 8.240 nan 0.000 0.532 83 N N 0.532 119.250 118.700 0.029 0.000 2.453 83 N HA -0.070 4.710 4.740 0.066 0.000 0.183 83 N C 1.621 177.150 175.510 0.033 0.000 1.041 83 N CA 0.616 53.677 53.050 0.018 0.000 0.900 83 N CB -0.183 38.323 38.487 0.032 0.000 0.961 83 N HN 0.562 nan 8.380 nan 0.000 0.443 84 Q N -0.473 119.361 119.800 0.057 0.000 2.403 84 Q HA 0.173 4.553 4.340 0.066 0.000 0.203 84 Q C 0.820 176.845 176.000 0.043 0.000 0.932 84 Q CA 0.222 56.056 55.803 0.053 0.000 0.945 84 Q CB 0.302 29.081 28.738 0.068 0.000 1.045 84 Q HN 0.404 nan 8.270 nan 0.000 0.511 85 G N 0.414 109.236 108.800 0.036 0.000 2.141 85 G HA2 -0.237 3.762 3.960 0.066 0.000 0.242 85 G HA3 -0.237 3.762 3.960 0.066 0.000 0.242 85 G C 0.081 175.007 174.900 0.043 0.000 0.982 85 G CA 0.159 45.275 45.100 0.027 0.000 0.662 85 G HN 0.226 nan 8.290 nan 0.000 0.527 86 V N 1.573 121.529 119.914 0.069 0.000 2.461 86 V HA 0.372 4.532 4.120 0.066 0.000 0.275 86 V C 1.285 177.417 176.094 0.062 0.000 1.047 86 V CA -0.567 61.786 62.300 0.088 0.000 0.955 86 V CB 1.098 33.020 31.823 0.166 0.000 0.988 86 V HN 0.410 nan 8.190 nan 0.000 0.471 87 R N 4.332 124.862 120.500 0.050 0.000 2.537 87 R HA 0.377 4.757 4.340 0.066 0.000 0.280 87 R C -0.514 175.797 176.300 0.019 0.000 1.058 87 R CA -0.072 56.048 56.100 0.033 0.000 1.057 87 R CB 0.547 30.866 30.300 0.032 0.000 0.973 87 R HN 0.578 nan 8.270 nan 0.000 0.438 88 I N 1.998 122.568 120.570 -0.001 0.000 2.353 88 I HA 0.133 4.343 4.170 0.066 0.000 0.293 88 I C 0.914 177.020 176.117 -0.020 0.000 0.992 88 I CA 0.027 61.311 61.300 -0.027 0.000 1.268 88 I CB 1.895 39.868 38.000 -0.046 0.000 1.387 88 I HN 0.778 nan 8.210 nan 0.000 0.478 89 A N 3.991 126.796 122.820 -0.025 0.000 1.924 89 A HA 0.027 4.387 4.320 0.066 0.000 0.211 89 A C 0.648 178.216 177.584 -0.025 0.000 1.198 89 A CA 0.852 52.878 52.037 -0.017 0.000 0.657 89 A CB 0.072 19.065 19.000 -0.011 0.000 0.852 89 A HN 0.675 nan 8.150 nan 0.000 0.454 90 D N -0.468 119.908 120.400 -0.039 0.000 2.440 90 D HA 0.324 5.003 4.640 0.066 0.000 0.252 90 D C -1.291 174.977 176.300 -0.053 0.000 1.180 90 D CA -0.365 53.611 54.000 -0.041 0.000 0.894 90 D CB 1.130 41.907 40.800 -0.038 0.000 1.111 90 D HN 0.065 nan 8.370 nan 0.000 0.544 91 D N 2.036 122.407 120.400 -0.047 0.000 2.395 91 D HA 0.045 4.725 4.640 0.066 0.000 0.226 91 D C 0.586 176.854 176.300 -0.053 0.000 1.146 91 D CA 0.251 54.218 54.000 -0.055 0.000 0.830 91 D CB 0.485 41.258 40.800 -0.046 0.000 0.958 91 D HN 0.223 nan 8.370 nan 0.000 0.501 92 Q N -0.577 119.193 119.800 -0.049 0.000 2.246 92 Q HA 0.271 4.651 4.340 0.066 0.000 0.222 92 Q C -0.197 175.774 176.000 -0.049 0.000 0.851 92 Q CA 0.170 55.945 55.803 -0.046 0.000 0.945 92 Q CB 0.788 29.504 28.738 -0.037 0.000 1.122 92 Q HN 0.206 nan 8.270 nan 0.000 0.508 93 N N 0.002 118.671 118.700 -0.052 0.000 2.331 93 N HA 0.263 5.043 4.740 0.066 0.000 0.280 93 N C -1.060 174.416 175.510 -0.056 0.000 1.155 93 N CA -0.257 52.764 53.050 -0.049 0.000 0.822 93 N CB 2.077 40.541 38.487 -0.039 0.000 1.619 93 N HN -0.186 nan 8.380 nan 0.000 0.476 94 S N 0.891 116.561 115.700 -0.051 0.000 2.576 94 S HA 0.187 4.697 4.470 0.066 0.000 0.276 94 S C 0.304 174.880 174.600 -0.039 0.000 1.339 94 S CA -0.520 57.651 58.200 -0.048 0.000 1.039 94 S CB 0.573 63.750 63.200 -0.038 0.000 0.902 94 S HN 0.382 nan 8.310 nan 0.000 0.516 95 L N 4.356 125.555 121.223 -0.039 0.000 2.410 95 L HA 0.335 4.715 4.340 0.066 0.000 0.273 95 L C 0.204 177.068 176.870 -0.011 0.000 1.144 95 L CA 0.524 55.350 54.840 -0.022 0.000 0.863 95 L CB -0.107 41.943 42.059 -0.015 0.000 1.140 95 L HN 0.706 nan 8.230 nan 0.000 0.463 96 R N 4.238 124.733 120.500 -0.008 0.000 2.836 96 R HA 0.853 5.232 4.340 0.066 0.000 0.269 96 R C -1.088 175.212 176.300 0.000 0.000 1.010 96 R CA -0.856 55.241 56.100 -0.004 0.000 0.930 96 R CB 1.127 31.423 30.300 -0.007 0.000 1.218 96 R HN 0.579 nan 8.270 nan 0.000 0.473 97 A N 1.319 124.141 122.820 0.002 0.000 2.666 97 A HA 0.578 4.938 4.320 0.066 0.000 0.312 97 A C 0.605 178.189 177.584 0.001 0.000 1.471 97 A CA 0.317 52.356 52.037 0.003 0.000 1.134 97 A CB -0.915 18.088 19.000 0.006 0.000 1.129 97 A HN 1.194 nan 8.150 nan 0.000 0.539 98 G N 1.186 109.986 108.800 -0.000 0.000 2.705 98 G HA2 0.022 4.021 3.960 0.066 0.000 0.686 98 G HA3 0.022 4.021 3.960 0.066 0.000 0.686 98 G C 0.670 175.567 174.900 -0.004 0.000 1.285 98 G CA 0.103 45.202 45.100 -0.002 0.000 0.800 98 G HN 1.826 nan 8.290 nan 0.000 0.611 99 S N -0.348 115.348 115.700 -0.006 0.000 2.515 99 S HA 0.026 4.535 4.470 0.066 0.000 0.231 99 S C 1.495 176.089 174.600 -0.009 0.000 0.987 99 S CA 1.283 59.478 58.200 -0.008 0.000 0.936 99 S CB 0.091 63.285 63.200 -0.009 0.000 0.766 99 S HN 0.741 nan 8.310 nan 0.000 0.528 100 R N 1.044 121.540 120.500 -0.007 0.000 2.633 100 R HA 0.349 4.729 4.340 0.066 0.000 0.348 100 R C 0.843 177.139 176.300 -0.006 0.000 1.100 100 R CA -0.008 56.087 56.100 -0.007 0.000 1.068 100 R CB 0.711 31.008 30.300 -0.006 0.000 1.351 100 R HN 0.439 nan 8.270 nan 0.000 0.575 101 G N 1.595 110.392 108.800 -0.005 0.000 2.557 101 G HA2 0.414 4.413 3.960 0.066 0.000 0.302 101 G HA3 0.414 4.413 3.960 0.066 0.000 0.302 101 G C -2.429 172.469 174.900 -0.003 0.000 1.311 101 G CA -1.129 43.969 45.100 -0.003 0.000 1.030 101 G HN -0.095 nan 8.290 nan 0.000 0.509 102 P HA 0.256 nan 4.420 nan 0.000 0.277 102 P C -0.208 177.092 177.300 0.000 0.000 1.240 102 P CA -0.147 62.953 63.100 -0.000 0.000 0.798 102 P CB 0.911 32.613 31.700 0.003 0.000 0.979 103 T N 2.221 116.774 114.554 -0.001 0.000 2.919 103 T HA 0.277 4.667 4.350 0.066 0.000 0.302 103 T C 0.469 175.173 174.700 0.007 0.000 1.031 103 T CA -0.094 62.006 62.100 -0.001 0.000 1.127 103 T CB -0.006 68.859 68.868 -0.005 0.000 0.952 103 T HN 0.179 nan 8.240 nan 0.000 0.540 104 L N 3.250 124.480 121.223 0.011 0.000 2.343 104 L HA 0.360 4.739 4.340 0.066 0.000 0.275 104 L C 1.355 178.244 176.870 0.031 0.000 1.056 104 L CA -0.812 54.040 54.840 0.021 0.000 0.804 104 L CB 1.016 43.090 42.059 0.025 0.000 1.203 104 L HN 0.505 nan 8.230 nan 0.000 0.440 105 L N 1.978 123.222 121.223 0.035 0.000 2.201 105 L HA -0.171 4.209 4.340 0.066 0.000 0.212 105 L C 2.301 179.212 176.870 0.069 0.000 1.105 105 L CA 1.585 56.452 54.840 0.045 0.000 0.775 105 L CB -0.557 41.525 42.059 0.039 0.000 0.913 105 L HN 0.799 nan 8.230 nan 0.000 0.440 106 E N -1.446 118.799 120.200 0.075 0.000 2.515 106 E HA -0.203 4.187 4.350 0.066 0.000 0.201 106 E C 0.247 176.957 176.600 0.183 0.000 1.071 106 E CA 0.329 56.801 56.400 0.120 0.000 0.880 106 E CB -0.550 29.210 29.700 0.101 0.000 0.828 106 E HN 0.382 nan 8.360 nan 0.000 0.540 107 D N 1.134 121.595 120.400 0.102 0.000 2.489 107 D HA -0.054 4.626 4.640 0.066 0.000 0.237 107 D C 0.469 176.796 176.300 0.045 0.000 1.212 107 D CA -0.355 53.666 54.000 0.034 0.000 1.058 107 D CB -0.205 40.580 40.800 -0.024 0.000 1.098 107 D HN 0.314 nan 8.370 nan 0.000 0.509 108 F N 1.842 121.800 119.950 0.015 0.000 2.325 108 F HA 0.052 4.618 4.527 0.066 0.000 0.299 108 F C 1.695 177.508 175.800 0.021 0.000 1.090 108 F CA 0.142 58.154 58.000 0.020 0.000 1.392 108 F CB -0.702 38.309 39.000 0.019 0.000 1.053 108 F HN 0.159 nan 8.300 nan 0.000 0.521 109 I N 0.559 120.669 120.570 -0.766 0.000 2.142 109 I HA -0.246 3.963 4.170 0.066 0.000 0.240 109 I C 2.543 178.547 176.117 -0.189 0.000 1.078 109 I CA 1.306 62.313 61.300 -0.489 0.000 1.343 109 I CB -0.669 36.992 38.000 -0.565 0.000 1.046 109 I HN 0.271 nan 8.210 nan 0.000 0.405 110 L N 1.169 122.299 121.223 -0.155 0.000 1.997 110 L HA -0.263 4.117 4.340 0.066 0.000 0.216 110 L C 2.666 179.527 176.870 -0.016 0.000 1.074 110 L CA 1.974 56.770 54.840 -0.073 0.000 0.763 110 L CB -0.593 41.431 42.059 -0.059 0.000 0.890 110 L HN 0.083 nan 8.230 nan 0.000 0.434 111 R N -0.737 119.773 120.500 0.017 0.000 2.096 111 R HA -0.179 4.201 4.340 0.066 0.000 0.235 111 R C 2.318 178.673 176.300 0.092 0.000 1.127 111 R CA 1.510 57.649 56.100 0.065 0.000 0.968 111 R CB -0.421 29.933 30.300 0.090 0.000 0.861 111 R HN 0.602 nan 8.270 nan 0.000 0.440 112 E N 1.236 121.493 120.200 0.094 0.000 2.051 112 E HA -0.242 4.148 4.350 0.066 0.000 0.192 112 E C 1.954 178.630 176.600 0.126 0.000 0.991 112 E CA 1.273 57.746 56.400 0.122 0.000 0.799 112 E CB 0.101 29.874 29.700 0.121 0.000 0.748 112 E HN 0.156 nan 8.360 nan 0.000 0.449 113 K N 0.222 120.665 120.400 0.071 0.000 2.026 113 K HA -0.147 4.212 4.320 0.066 0.000 0.208 113 K C 2.111 178.786 176.600 0.124 0.000 1.048 113 K CA 1.327 57.656 56.287 0.069 0.000 0.929 113 K CB -0.023 32.475 32.500 -0.004 0.000 0.713 113 K HN 0.138 nan 8.250 nan 0.000 0.439 114 I N 1.303 121.928 120.570 0.092 0.000 2.353 114 I HA -0.177 4.033 4.170 0.066 0.000 0.248 114 I C 2.145 178.375 176.117 0.190 0.000 1.119 114 I CA 1.335 62.709 61.300 0.122 0.000 1.417 114 I CB -1.414 36.620 38.000 0.057 0.000 1.078 114 I HN 0.232 nan 8.210 nan 0.000 0.421 115 T N -0.318 114.337 114.554 0.168 0.000 2.746 115 T HA -0.213 4.177 4.350 0.066 0.000 0.267 115 T C 1.964 176.799 174.700 0.225 0.000 1.039 115 T CA 1.342 63.559 62.100 0.195 0.000 1.142 115 T CB -0.421 68.571 68.868 0.208 0.000 0.866 115 T HN 0.327 nan 8.240 nan 0.000 0.444 116 H N -0.044 119.121 119.070 0.159 0.000 2.352 116 H HA -0.085 4.511 4.556 0.067 0.000 0.299 116 H C 2.161 177.546 175.328 0.095 0.000 1.097 116 H CA 1.609 57.734 56.048 0.127 0.000 1.311 116 H CB -0.410 29.407 29.762 0.091 0.000 1.377 116 H HN 0.414 nan 8.280 nan 0.000 0.504 117 F N 1.918 121.924 119.950 0.093 0.000 2.134 117 F HA -0.161 4.407 4.527 0.068 0.000 0.299 117 F C 1.982 177.725 175.800 -0.095 0.000 1.097 117 F CA 1.524 59.530 58.000 0.010 0.000 1.264 117 F CB -0.323 38.677 39.000 0.000 0.000 1.001 117 F HN 0.017 nan 8.300 nan 0.000 0.479 118 D N -1.010 119.295 120.400 -0.158 0.000 2.311 118 D HA -0.150 4.530 4.640 0.066 0.000 0.212 118 D C 1.110 176.995 176.300 -0.691 0.000 0.972 118 D CA 1.209 54.946 54.000 -0.439 0.000 0.887 118 D CB -0.334 40.201 40.800 -0.441 0.000 0.915 118 D HN 0.493 nan 8.370 nan 0.000 0.497 119 H N -0.635 118.308 119.070 -0.212 0.000 2.510 119 H HA 0.218 4.814 4.556 0.067 0.000 0.266 119 H C 1.021 176.185 175.328 -0.274 0.000 1.146 119 H CA -0.143 55.783 56.048 -0.203 0.000 0.993 119 H CB 0.540 30.202 29.762 -0.166 0.000 1.727 119 H HN 0.250 nan 8.280 nan 0.000 0.590 120 E N 0.720 120.750 120.200 -0.282 0.000 2.110 120 E HA -0.054 4.335 4.350 0.066 0.000 0.193 120 E C 0.518 176.950 176.600 -0.280 0.000 0.988 120 E CA 0.634 56.838 56.400 -0.327 0.000 0.804 120 E CB 0.416 29.896 29.700 -0.366 0.000 0.745 120 E HN 0.155 nan 8.360 nan 0.000 0.458 121 R N 1.331 121.729 120.500 -0.169 0.000 2.441 121 R HA 0.310 4.690 4.340 0.066 0.000 0.284 121 R C 0.502 176.838 176.300 0.060 0.000 1.070 121 R CA -0.121 55.955 56.100 -0.041 0.000 1.047 121 R CB 0.575 30.847 30.300 -0.045 0.000 1.016 121 R HN 0.195 nan 8.270 nan 0.000 0.477 122 I N -0.843 119.833 120.570 0.176 0.000 3.023 122 I HA 0.608 4.817 4.170 0.066 0.000 0.312 122 I C -2.209 173.976 176.117 0.115 0.000 1.056 122 I CA -3.027 58.367 61.300 0.156 0.000 1.033 122 I CB 1.683 39.812 38.000 0.215 0.000 1.233 122 I HN 0.233 nan 8.210 nan 0.000 0.462 123 P HA 0.114 nan 4.420 nan 0.000 0.268 123 P C -0.930 176.405 177.300 0.059 0.000 1.204 123 P CA -0.110 63.023 63.100 0.055 0.000 0.768 123 P CB 0.453 32.175 31.700 0.035 0.000 0.842 124 E N 2.806 123.042 120.200 0.060 0.000 2.369 124 E HA 0.186 4.576 4.350 0.066 0.000 0.255 124 E C -0.483 176.146 176.600 0.048 0.000 1.172 124 E CA -0.814 55.625 56.400 0.066 0.000 0.932 124 E CB 0.622 30.366 29.700 0.074 0.000 1.040 124 E HN 0.258 nan 8.360 nan 0.000 0.454 125 R N 0.800 121.334 120.500 0.057 0.000 2.570 125 R HA 0.007 4.387 4.340 0.066 0.000 0.277 125 R C 1.289 177.623 176.300 0.058 0.000 1.039 125 R CA -0.460 55.669 56.100 0.049 0.000 1.065 125 R CB 0.278 30.627 30.300 0.081 0.000 0.964 125 R HN 0.568 nan 8.270 nan 0.000 0.428 126 I N 2.050 122.647 120.570 0.045 0.000 2.194 126 I HA -0.160 4.049 4.170 0.066 0.000 0.246 126 I C 1.209 177.375 176.117 0.083 0.000 1.093 126 I CA 1.533 62.868 61.300 0.059 0.000 1.355 126 I CB -1.159 36.880 38.000 0.065 0.000 1.046 126 I HN 0.388 nan 8.210 nan 0.000 0.413 127 V N -3.380 116.616 119.914 0.138 0.000 3.040 127 V HA 0.524 4.684 4.120 0.066 0.000 0.312 127 V C 0.400 176.660 176.094 0.277 0.000 1.115 127 V CA -0.857 61.550 62.300 0.178 0.000 0.998 127 V CB 1.847 33.843 31.823 0.288 0.000 1.042 127 V HN 0.422 nan 8.190 nan 0.000 0.433 128 H N 0.384 119.513 119.070 0.099 0.000 2.903 128 H HA -0.210 4.386 4.556 0.066 0.000 0.285 128 H C 1.513 176.886 175.328 0.074 0.000 1.231 128 H CA 0.791 56.891 56.048 0.087 0.000 1.135 128 H CB -1.246 28.556 29.762 0.066 0.000 1.328 128 H HN 1.168 nan 8.280 nan 0.000 0.388 129 A N 0.752 123.659 122.820 0.144 0.000 2.019 129 A HA -0.088 4.272 4.320 0.066 0.000 0.219 129 A C 1.653 179.324 177.584 0.146 0.000 1.164 129 A CA 1.302 53.415 52.037 0.126 0.000 0.644 129 A CB -0.069 18.985 19.000 0.090 0.000 0.805 129 A HN 0.288 nan 8.150 nan 0.000 0.449 130 R N -0.036 120.551 120.500 0.146 0.000 2.207 130 R HA 0.528 4.907 4.340 0.066 0.000 0.334 130 R C -0.164 176.259 176.300 0.204 0.000 1.013 130 R CA 0.725 56.929 56.100 0.174 0.000 0.858 130 R CB 0.511 30.900 30.300 0.149 0.000 1.094 130 R HN 0.311 nan 8.270 nan 0.000 0.457 131 G N 0.827 109.773 108.800 0.243 0.000 2.632 131 G HA2 0.497 4.496 3.960 0.066 0.000 0.292 131 G HA3 0.497 4.496 3.960 0.066 0.000 0.292 131 G C -1.640 173.405 174.900 0.242 0.000 1.465 131 G CA -0.603 44.602 45.100 0.175 0.000 0.824 131 G HN 0.509 nan 8.290 nan 0.000 0.509 132 S N -1.096 114.682 115.700 0.130 0.000 2.547 132 S HA 0.900 5.410 4.470 0.066 0.000 0.281 132 S C -0.204 174.394 174.600 -0.003 0.000 1.118 132 S CA -0.060 58.279 58.200 0.232 0.000 0.947 132 S CB 1.761 65.199 63.200 0.396 0.000 1.053 132 S HN 1.661 nan 8.310 nan 0.000 0.482 133 A N 1.493 124.277 122.820 -0.060 0.000 2.515 133 A HA 1.032 5.391 4.320 0.066 0.000 0.296 133 A C -0.978 176.415 177.584 -0.317 0.000 1.094 133 A CA -0.654 51.135 52.037 -0.413 0.000 0.718 133 A CB 1.623 20.205 19.000 -0.698 0.000 1.307 133 A HN 1.354 nan 8.150 nan 0.000 0.408 134 A N 0.481 122.973 122.820 -0.546 0.000 2.609 134 A HA 0.734 5.093 4.320 0.066 0.000 0.291 134 A C -1.095 176.324 177.584 -0.275 0.000 1.096 134 A CA -0.657 51.218 52.037 -0.270 0.000 0.684 134 A CB 0.740 19.662 19.000 -0.129 0.000 1.282 134 A HN 0.884 nan 8.150 nan 0.000 0.412 135 H N -0.400 118.704 119.070 0.056 0.000 2.505 135 H HA 0.677 5.272 4.556 0.066 0.000 0.355 135 H C 0.620 175.945 175.328 -0.005 0.000 1.179 135 H CA 0.866 56.993 56.048 0.131 0.000 1.343 135 H CB 1.808 31.641 29.762 0.118 0.000 1.501 135 H HN 1.145 nan 8.280 nan 0.000 0.569 136 G N 0.543 109.436 108.800 0.155 0.000 2.500 136 G HA2 0.351 4.351 3.960 0.066 0.000 0.299 136 G HA3 0.351 4.351 3.960 0.066 0.000 0.299 136 G C -2.050 172.961 174.900 0.185 0.000 1.242 136 G CA -0.619 44.523 45.100 0.071 0.000 0.859 136 G HN 0.627 nan 8.290 nan 0.000 0.481 137 Y N -1.774 118.558 120.300 0.054 0.000 2.625 137 Y HA 0.847 5.436 4.550 0.066 0.000 0.338 137 Y C -1.731 174.299 175.900 0.216 0.000 1.123 137 Y CA -2.038 56.137 58.100 0.126 0.000 1.046 137 Y CB 1.892 40.401 38.460 0.082 0.000 1.299 137 Y HN 0.853 nan 8.280 nan 0.000 0.464 138 F N 2.795 122.875 119.950 0.216 0.000 2.576 138 F HA 0.667 5.235 4.527 0.068 0.000 0.313 138 F C -1.475 174.525 175.800 0.333 0.000 1.078 138 F CA -0.517 57.624 58.000 0.235 0.000 0.921 138 F CB 2.183 41.441 39.000 0.430 0.000 1.232 138 F HN 0.809 nan 8.300 nan 0.000 0.459 139 Q N 5.937 125.214 119.800 -0.871 0.000 2.377 139 Q HA 0.593 4.972 4.340 0.066 0.000 0.279 139 Q C -3.334 171.998 176.000 -1.112 0.000 1.049 139 Q CA -2.245 53.134 55.803 -0.706 0.000 0.825 139 Q CB 2.971 31.621 28.738 -0.147 0.000 1.401 139 Q HN 0.341 nan 8.270 nan 0.000 0.404 140 P HA 0.079 nan 4.420 nan 0.000 0.276 140 P C -0.395 176.748 177.300 -0.261 0.000 1.252 140 P CA -0.245 62.594 63.100 -0.434 0.000 0.802 140 P CB 0.880 32.508 31.700 -0.120 0.000 1.035 141 Y N 0.230 120.477 120.300 -0.089 0.000 2.314 141 Y HA -0.021 4.569 4.550 0.067 0.000 0.294 141 Y C 1.485 177.362 175.900 -0.039 0.000 1.119 141 Y CA 0.509 58.577 58.100 -0.055 0.000 1.179 141 Y CB 0.349 38.784 38.460 -0.041 0.000 1.025 141 Y HN 0.362 nan 8.280 nan 0.000 0.541 142 K N -0.942 119.528 120.400 0.117 0.000 2.556 142 K HA 0.372 4.732 4.320 0.066 0.000 0.274 142 K C -0.900 175.709 176.600 0.016 0.000 0.966 142 K CA -0.908 55.414 56.287 0.059 0.000 0.865 142 K CB 1.635 34.171 32.500 0.061 0.000 1.444 142 K HN -0.233 nan 8.250 nan 0.000 0.433 143 S N 1.333 117.038 115.700 0.009 0.000 2.537 143 S HA 0.106 4.616 4.470 0.066 0.000 0.286 143 S C 0.419 175.011 174.600 -0.013 0.000 1.299 143 S CA -0.532 57.663 58.200 -0.007 0.000 1.067 143 S CB -0.168 63.030 63.200 -0.002 0.000 0.864 143 S HN 0.562 nan 8.310 nan 0.000 0.494 144 L N 4.823 126.028 121.223 -0.031 0.000 2.848 144 L HA 0.132 4.512 4.340 0.066 0.000 0.240 144 L C 1.948 178.804 176.870 -0.022 0.000 1.232 144 L CA -0.077 54.751 54.840 -0.020 0.000 1.031 144 L CB -0.257 41.792 42.059 -0.017 0.000 1.338 144 L HN 0.854 nan 8.230 nan 0.000 0.509 145 S N -1.982 113.704 115.700 -0.024 0.000 2.442 145 S HA -0.169 4.341 4.470 0.066 0.000 0.236 145 S C 1.269 175.855 174.600 -0.024 0.000 1.007 145 S CA 0.908 59.092 58.200 -0.027 0.000 0.965 145 S CB -0.135 63.053 63.200 -0.019 0.000 0.773 145 S HN 0.400 nan 8.310 nan 0.000 0.504 146 D N 2.053 122.444 120.400 -0.015 0.000 2.219 146 D HA 0.014 4.693 4.640 0.066 0.000 0.205 146 D C 1.823 178.110 176.300 -0.022 0.000 0.970 146 D CA 1.361 55.352 54.000 -0.014 0.000 0.851 146 D CB -0.148 40.649 40.800 -0.005 0.000 0.943 146 D HN 0.785 nan 8.370 nan 0.000 0.488 147 I N -4.040 116.519 120.570 -0.019 0.000 4.312 147 I HA 0.214 4.424 4.170 0.066 0.000 0.324 147 I C 0.421 176.501 176.117 -0.061 0.000 1.298 147 I CA 0.028 61.309 61.300 -0.031 0.000 1.231 147 I CB 1.182 39.185 38.000 0.004 0.000 1.152 147 I HN -0.257 nan 8.210 nan 0.000 0.421 148 T N 1.781 116.301 114.554 -0.057 0.000 3.041 148 T HA 0.304 4.693 4.350 0.066 0.000 0.321 148 T C -0.039 174.611 174.700 -0.083 0.000 1.184 148 T CA -0.714 61.333 62.100 -0.088 0.000 1.050 148 T CB 1.749 70.554 68.868 -0.105 0.000 1.159 148 T HN 0.426 nan 8.240 nan 0.000 0.469 149 K N 2.639 122.989 120.400 -0.083 0.000 2.476 149 K HA 0.549 4.908 4.320 0.066 0.000 0.196 149 K C 0.708 177.272 176.600 -0.060 0.000 1.025 149 K CA -0.352 55.898 56.287 -0.062 0.000 1.138 149 K CB 0.204 32.672 32.500 -0.052 0.000 0.860 149 K HN 0.491 nan 8.250 nan 0.000 0.515 150 A N 2.073 124.834 122.820 -0.099 0.000 2.524 150 A HA -0.048 4.312 4.320 0.066 0.000 0.250 150 A C 0.552 178.100 177.584 -0.061 0.000 1.078 150 A CA 0.056 52.043 52.037 -0.083 0.000 0.761 150 A CB 0.148 19.034 19.000 -0.190 0.000 1.012 150 A HN 0.475 nan 8.150 nan 0.000 0.500 151 D N 2.006 122.446 120.400 0.067 0.000 2.144 151 D HA -0.204 4.476 4.640 0.066 0.000 0.200 151 D C 1.303 177.680 176.300 0.129 0.000 0.978 151 D CA 2.082 56.135 54.000 0.089 0.000 0.833 151 D CB -0.230 40.644 40.800 0.124 0.000 0.961 151 D HN 0.717 nan 8.370 nan 0.000 0.470 152 F N -0.802 119.174 119.950 0.044 0.000 2.699 152 F HA 0.205 4.773 4.527 0.067 0.000 0.298 152 F C 0.966 176.868 175.800 0.169 0.000 1.154 152 F CA 0.269 58.340 58.000 0.119 0.000 1.457 152 F CB -0.162 38.908 39.000 0.116 0.000 1.106 152 F HN -0.068 nan 8.300 nan 0.000 0.585 153 L N 0.688 121.627 121.223 -0.473 0.000 2.857 153 L HA 0.194 4.574 4.340 0.066 0.000 0.249 153 L C 1.868 178.655 176.870 -0.139 0.000 1.172 153 L CA 0.315 54.938 54.840 -0.363 0.000 0.980 153 L CB 0.033 41.764 42.059 -0.546 0.000 1.299 153 L HN 0.318 nan 8.230 nan 0.000 0.535 154 S N -2.487 113.173 115.700 -0.067 0.000 2.503 154 S HA 0.050 4.560 4.470 0.066 0.000 0.217 154 S C 0.422 175.021 174.600 -0.003 0.000 0.999 154 S CA -0.089 58.093 58.200 -0.030 0.000 0.914 154 S CB 0.208 63.403 63.200 -0.008 0.000 0.782 154 S HN 0.324 nan 8.310 nan 0.000 0.520 155 D N 0.856 121.264 120.400 0.014 0.000 2.891 155 D HA 0.336 5.016 4.640 0.066 0.000 0.224 155 D C -2.531 173.783 176.300 0.023 0.000 1.321 155 D CA -1.933 52.081 54.000 0.023 0.000 0.929 155 D CB 2.188 43.010 40.800 0.037 0.000 1.551 155 D HN -0.149 nan 8.370 nan 0.000 0.574 156 P HA -0.049 nan 4.420 nan 0.000 0.225 156 P C 0.311 177.624 177.300 0.022 0.000 1.148 156 P CA 0.670 63.780 63.100 0.016 0.000 0.779 156 P CB 0.406 32.129 31.700 0.038 0.000 0.780 157 N N -0.466 118.252 118.700 0.031 0.000 2.214 157 N HA 0.077 4.856 4.740 0.066 0.000 0.214 157 N C 0.264 175.803 175.510 0.048 0.000 1.132 157 N CA 0.080 53.151 53.050 0.035 0.000 0.856 157 N CB 0.615 39.119 38.487 0.029 0.000 1.020 157 N HN 0.259 nan 8.380 nan 0.000 0.509 158 K N 1.349 121.789 120.400 0.067 0.000 2.234 158 K HA 0.396 4.755 4.320 0.066 0.000 0.277 158 K C -0.173 176.516 176.600 0.148 0.000 1.038 158 K CA -0.306 56.042 56.287 0.102 0.000 0.888 158 K CB 1.798 34.367 32.500 0.115 0.000 1.091 158 K HN -0.057 nan 8.250 nan 0.000 0.467 159 I N 2.595 123.252 120.570 0.145 0.000 2.353 159 I HA 0.129 4.339 4.170 0.066 0.000 0.293 159 I C 0.041 176.326 176.117 0.280 0.000 0.992 159 I CA -0.229 61.190 61.300 0.199 0.000 1.268 159 I CB 1.740 39.797 38.000 0.096 0.000 1.387 159 I HN 0.462 nan 8.210 nan 0.000 0.478 160 T N 7.437 122.245 114.554 0.424 0.000 2.786 160 T HA 0.357 4.747 4.350 0.066 0.000 0.283 160 T C -2.474 172.484 174.700 0.431 0.000 0.992 160 T CA -1.373 60.999 62.100 0.452 0.000 0.954 160 T CB 1.722 70.975 68.868 0.641 0.000 0.934 160 T HN 0.256 nan 8.240 nan 0.000 0.440 161 P HA 0.302 nan 4.420 nan 0.000 0.271 161 P C -0.708 176.832 177.300 0.400 0.000 1.218 161 P CA -0.439 62.854 63.100 0.322 0.000 0.780 161 P CB 0.599 32.410 31.700 0.185 0.000 0.901 162 V N -0.242 119.848 119.914 0.294 0.000 3.102 162 V HA 0.744 4.903 4.120 0.066 0.000 0.312 162 V C -1.362 174.895 176.094 0.272 0.000 1.135 162 V CA -0.954 61.419 62.300 0.122 0.000 1.022 162 V CB 2.265 33.933 31.823 -0.259 0.000 1.056 162 V HN 0.327 nan 8.190 nan 0.000 0.436 163 F N 1.934 121.869 119.950 -0.024 0.000 2.539 163 F HA 0.841 5.407 4.527 0.065 0.000 0.318 163 F C -0.936 174.762 175.800 -0.170 0.000 1.135 163 F CA -0.784 57.139 58.000 -0.127 0.000 0.915 163 F CB 1.945 40.892 39.000 -0.089 0.000 1.176 163 F HN 0.530 nan 8.300 nan 0.000 0.440 164 V N 6.650 126.106 119.914 -0.763 0.000 2.555 164 V HA 0.580 4.739 4.120 0.066 0.000 0.302 164 V C -0.636 174.788 176.094 -1.115 0.000 1.038 164 V CA -0.826 60.957 62.300 -0.863 0.000 0.887 164 V CB 1.984 33.241 31.823 -0.943 0.000 0.991 164 V HN 0.746 nan 8.190 nan 0.000 0.434 165 R N 3.358 123.195 120.500 -1.106 0.000 2.480 165 R HA 0.627 5.006 4.340 0.066 0.000 0.306 165 R C -1.646 174.021 176.300 -1.056 0.000 0.958 165 R CA -0.432 55.091 56.100 -0.960 0.000 0.861 165 R CB 1.209 31.101 30.300 -0.680 0.000 1.171 165 R HN 0.549 nan 8.270 nan 0.000 0.445 166 F N 1.776 121.296 119.950 -0.716 0.000 2.425 166 F HA 0.515 5.083 4.527 0.068 0.000 0.331 166 F C 0.411 175.841 175.800 -0.616 0.000 1.085 166 F CA -0.305 57.164 58.000 -0.886 0.000 1.028 166 F CB 2.174 40.141 39.000 -1.722 0.000 1.177 166 F HN 0.570 nan 8.300 nan 0.000 0.487 167 S N -0.994 114.634 115.700 -0.119 0.000 2.596 167 S HA 0.665 5.174 4.470 0.066 0.000 0.270 167 S C -0.539 174.207 174.600 0.243 0.000 1.155 167 S CA -0.880 57.391 58.200 0.119 0.000 0.827 167 S CB 1.396 64.715 63.200 0.199 0.000 1.130 167 S HN 0.723 nan 8.310 nan 0.000 0.467 168 T N -1.282 113.411 114.554 0.231 0.000 2.865 168 T HA 0.660 5.049 4.350 0.066 0.000 0.302 168 T C 0.831 175.509 174.700 -0.037 0.000 1.078 168 T CA -0.109 62.087 62.100 0.160 0.000 0.942 168 T CB 0.207 69.171 68.868 0.160 0.000 1.387 168 T HN 0.597 nan 8.240 nan 0.000 0.557 169 V N -0.123 119.724 119.914 -0.111 0.000 2.948 169 V HA 0.131 4.291 4.120 0.066 0.000 0.234 169 V C 2.706 178.719 176.094 -0.134 0.000 1.205 169 V CA 0.332 62.430 62.300 -0.337 0.000 1.234 169 V CB -0.257 31.450 31.823 -0.194 0.000 1.020 169 V HN 0.866 nan 8.190 nan 0.000 0.491 170 Q N 1.096 120.859 119.800 -0.063 0.000 2.123 170 Q HA 0.085 4.465 4.340 0.066 0.000 0.196 170 Q C 1.232 177.209 176.000 -0.038 0.000 0.958 170 Q CA 1.315 57.080 55.803 -0.063 0.000 0.841 170 Q CB -0.069 28.619 28.738 -0.083 0.000 0.915 170 Q HN 0.582 nan 8.270 nan 0.000 0.455 171 G N -0.127 108.665 108.800 -0.013 0.000 2.572 171 G HA2 0.420 4.419 3.960 0.066 0.000 0.261 171 G HA3 0.420 4.419 3.960 0.066 0.000 0.261 171 G C 0.073 174.982 174.900 0.014 0.000 1.197 171 G CA 0.038 45.135 45.100 -0.004 0.000 0.870 171 G HN 0.318 nan 8.290 nan 0.000 0.548 172 G N -1.132 107.672 108.800 0.008 0.000 2.667 172 G HA2 0.465 4.464 3.960 0.066 0.000 0.250 172 G HA3 0.465 4.464 3.960 0.066 0.000 0.250 172 G C 1.323 176.253 174.900 0.050 0.000 1.212 172 G CA 0.442 45.555 45.100 0.023 0.000 0.874 172 G HN 1.087 nan 8.290 nan 0.000 0.561 173 A N -0.279 122.581 122.820 0.067 0.000 2.070 173 A HA 0.121 4.480 4.320 0.066 0.000 0.220 173 A C 2.173 179.796 177.584 0.064 0.000 1.159 173 A CA 1.899 53.994 52.037 0.096 0.000 0.656 173 A CB -0.296 18.779 19.000 0.123 0.000 0.800 173 A HN 1.155 nan 8.150 nan 0.000 0.453 174 G N -0.081 108.739 108.800 0.032 0.000 3.448 174 G HA2 0.357 4.356 3.960 0.066 0.000 0.261 174 G HA3 0.357 4.356 3.960 0.066 0.000 0.261 174 G C 0.601 175.504 174.900 0.005 0.000 1.173 174 G CA 0.618 45.723 45.100 0.008 0.000 0.835 174 G HN 0.639 nan 8.290 nan 0.000 0.534 175 S N -0.356 115.356 115.700 0.020 0.000 2.686 175 S HA 0.783 5.293 4.470 0.066 0.000 0.270 175 S C 0.400 175.017 174.600 0.029 0.000 1.194 175 S CA -0.128 58.081 58.200 0.015 0.000 0.990 175 S CB 1.727 64.937 63.200 0.017 0.000 1.029 175 S HN 0.548 nan 8.310 nan 0.000 0.560 176 A N 0.054 122.888 122.820 0.023 0.000 2.279 176 A HA 0.498 4.857 4.320 0.066 0.000 0.303 176 A C 0.498 178.110 177.584 0.045 0.000 1.108 176 A CA -0.624 51.424 52.037 0.018 0.000 0.830 176 A CB 0.057 19.050 19.000 -0.011 0.000 1.106 176 A HN 0.855 nan 8.150 nan 0.000 0.493 177 D N 0.310 120.727 120.400 0.028 0.000 2.120 177 D HA -0.056 4.623 4.640 0.066 0.000 0.202 177 D C 1.627 177.910 176.300 -0.029 0.000 0.972 177 D CA 2.249 56.278 54.000 0.048 0.000 0.837 177 D CB -0.221 40.566 40.800 -0.021 0.000 0.989 177 D HN 0.668 nan 8.370 nan 0.000 0.469 178 T N -0.106 114.353 114.554 -0.158 0.000 3.332 178 T HA 0.270 4.660 4.350 0.066 0.000 0.246 178 T C 0.867 175.564 174.700 -0.006 0.000 0.943 178 T CA -0.549 61.450 62.100 -0.169 0.000 0.922 178 T CB -0.993 67.702 68.868 -0.289 0.000 1.086 178 T HN -0.077 nan 8.240 nan 0.000 0.590 179 V N -1.178 118.781 119.914 0.074 0.000 3.376 179 V HA 0.392 4.552 4.120 0.066 0.000 0.303 179 V C 0.727 176.967 176.094 0.243 0.000 1.100 179 V CA -1.351 61.045 62.300 0.160 0.000 1.126 179 V CB 0.293 32.195 31.823 0.130 0.000 1.085 179 V HN 0.568 nan 8.190 nan 0.000 0.480 180 R N 1.595 122.285 120.500 0.317 0.000 2.234 180 R HA 0.484 4.864 4.340 0.066 0.000 0.324 180 R C -0.960 175.415 176.300 0.125 0.000 1.054 180 R CA -0.073 56.158 56.100 0.219 0.000 0.912 180 R CB 0.245 30.593 30.300 0.079 0.000 1.030 180 R HN 1.064 nan 8.270 nan 0.000 0.455 181 D N 3.235 123.721 120.400 0.144 0.000 2.755 181 D HA 0.168 4.848 4.640 0.066 0.000 0.277 181 D C -0.706 175.705 176.300 0.186 0.000 1.261 181 D CA -0.605 53.472 54.000 0.129 0.000 0.759 181 D CB 1.148 42.016 40.800 0.113 0.000 1.279 181 D HN 0.225 nan 8.370 nan 0.000 0.420 182 I N 1.393 122.090 120.570 0.213 0.000 2.779 182 I HA 0.236 4.445 4.170 0.066 0.000 0.285 182 I C 0.899 177.156 176.117 0.233 0.000 1.134 182 I CA -0.061 61.377 61.300 0.230 0.000 1.398 182 I CB 0.039 38.204 38.000 0.274 0.000 1.404 182 I HN 0.240 nan 8.210 nan 0.000 0.587 183 R N 2.846 123.507 120.500 0.268 0.000 2.532 183 R HA 0.551 4.931 4.340 0.066 0.000 0.295 183 R C 0.019 176.515 176.300 0.327 0.000 0.968 183 R CA -0.727 55.552 56.100 0.299 0.000 0.916 183 R CB 1.387 31.889 30.300 0.337 0.000 1.124 183 R HN 0.809 nan 8.270 nan 0.000 0.463 184 G N 0.882 109.895 108.800 0.354 0.000 2.507 184 G HA2 0.450 4.449 3.960 0.066 0.000 0.271 184 G HA3 0.450 4.449 3.960 0.066 0.000 0.271 184 G C -1.227 173.767 174.900 0.155 0.000 1.189 184 G CA -0.024 45.256 45.100 0.300 0.000 0.859 184 G HN 0.369 nan 8.290 nan 0.000 0.542 185 F N 1.463 121.309 119.950 -0.173 0.000 3.228 185 F HA 0.618 5.184 4.527 0.065 0.000 0.385 185 F C -0.336 175.161 175.800 -0.505 0.000 1.247 185 F CA -1.771 56.017 58.000 -0.353 0.000 1.211 185 F CB 0.890 39.810 39.000 -0.133 0.000 1.719 185 F HN 0.689 nan 8.300 nan 0.000 0.630 186 A N 3.256 125.813 122.820 -0.438 0.000 2.318 186 A HA 0.818 5.177 4.320 0.066 0.000 0.324 186 A C -0.658 176.509 177.584 -0.694 0.000 1.170 186 A CA -0.476 51.154 52.037 -0.677 0.000 0.810 186 A CB 0.998 19.268 19.000 -1.217 0.000 1.198 186 A HN 0.530 nan 8.150 nan 0.000 0.484 187 T N 2.224 116.526 114.554 -0.419 0.000 2.840 187 T HA 0.382 4.772 4.350 0.066 0.000 0.287 187 T C -0.401 174.128 174.700 -0.286 0.000 0.991 187 T CA -0.482 61.375 62.100 -0.404 0.000 0.964 187 T CB 1.087 69.647 68.868 -0.514 0.000 0.954 187 T HN 0.639 nan 8.240 nan 0.000 0.438 188 K N 3.565 123.865 120.400 -0.167 0.000 2.253 188 K HA 0.460 4.819 4.320 0.066 0.000 0.277 188 K C -1.263 175.014 176.600 -0.538 0.000 1.053 188 K CA -0.553 55.534 56.287 -0.333 0.000 0.892 188 K CB 0.329 32.561 32.500 -0.447 0.000 1.102 188 K HN 0.378 nan 8.250 nan 0.000 0.469 189 F N 4.048 123.691 119.950 -0.512 0.000 2.405 189 F HA 0.248 4.814 4.527 0.065 0.000 0.355 189 F C -0.420 175.165 175.800 -0.357 0.000 1.121 189 F CA -0.581 57.193 58.000 -0.376 0.000 1.112 189 F CB 0.799 39.490 39.000 -0.514 0.000 1.126 189 F HN 0.434 nan 8.300 nan 0.000 0.481 190 Y N 1.768 122.132 120.300 0.107 0.000 2.802 190 Y HA 0.242 4.832 4.550 0.066 0.000 0.330 190 Y C 0.926 176.884 175.900 0.097 0.000 1.193 190 Y CA -0.869 57.270 58.100 0.066 0.000 1.427 190 Y CB 0.070 38.559 38.460 0.047 0.000 1.357 190 Y HN 0.562 nan 8.280 nan 0.000 0.501 191 T N -2.546 112.104 114.554 0.160 0.000 2.847 191 T HA 0.175 4.565 4.350 0.066 0.000 0.279 191 T C 1.024 175.819 174.700 0.158 0.000 0.984 191 T CA -0.689 61.512 62.100 0.169 0.000 0.988 191 T CB 1.102 70.038 68.868 0.113 0.000 1.040 191 T HN 0.636 nan 8.240 nan 0.000 0.528 192 E N 0.103 120.401 120.200 0.164 0.000 2.338 192 E HA -0.065 4.325 4.350 0.066 0.000 0.197 192 E C 1.164 177.831 176.600 0.113 0.000 1.007 192 E CA 0.784 57.261 56.400 0.130 0.000 0.849 192 E CB 0.104 29.876 29.700 0.120 0.000 0.774 192 E HN 0.739 nan 8.360 nan 0.000 0.506 193 E N 0.189 120.459 120.200 0.116 0.000 2.558 193 E HA 0.240 4.629 4.350 0.066 0.000 0.205 193 E C 0.207 176.857 176.600 0.083 0.000 1.006 193 E CA -0.176 56.284 56.400 0.100 0.000 0.961 193 E CB 1.168 30.932 29.700 0.106 0.000 1.044 193 E HN 0.188 nan 8.360 nan 0.000 0.465 194 G N 1.090 109.935 108.800 0.074 0.000 2.392 194 G HA2 -0.108 3.891 3.960 0.066 0.000 0.677 194 G HA3 -0.108 3.891 3.960 0.066 0.000 0.677 194 G C -0.951 173.958 174.900 0.015 0.000 1.334 194 G CA -1.129 43.992 45.100 0.035 0.000 0.961 194 G HN 0.009 nan 8.290 nan 0.000 0.616 195 I N 0.711 121.255 120.570 -0.044 0.000 2.533 195 I HA 0.346 4.556 4.170 0.066 0.000 0.284 195 I C 0.135 176.254 176.117 0.003 0.000 1.109 195 I CA -0.025 61.220 61.300 -0.092 0.000 1.412 195 I CB 0.575 38.453 38.000 -0.204 0.000 1.396 195 I HN 0.449 nan 8.210 nan 0.000 0.543 196 F N 6.809 126.640 119.950 -0.198 0.000 2.426 196 F HA 0.441 5.006 4.527 0.064 0.000 0.348 196 F C -0.467 175.276 175.800 -0.094 0.000 1.124 196 F CA -1.247 56.627 58.000 -0.210 0.000 1.008 196 F CB 0.729 39.424 39.000 -0.508 0.000 1.139 196 F HN 0.354 nan 8.300 nan 0.000 0.452 197 D N 6.933 127.124 120.400 -0.348 0.000 2.303 197 D HA 0.249 4.928 4.640 0.066 0.000 0.236 197 D C -0.652 175.161 176.300 -0.813 0.000 1.068 197 D CA -0.006 53.731 54.000 -0.439 0.000 0.830 197 D CB 2.257 42.999 40.800 -0.096 0.000 1.109 197 D HN 0.618 nan 8.370 nan 0.000 0.496 198 L N 3.150 123.835 121.223 -0.897 0.000 2.264 198 L HA 0.308 4.687 4.340 0.066 0.000 0.287 198 L C -1.003 175.621 176.870 -0.410 0.000 1.039 198 L CA -0.616 53.775 54.840 -0.748 0.000 0.829 198 L CB 0.723 42.339 42.059 -0.739 0.000 1.211 198 L HN 0.050 nan 8.230 nan 0.000 0.427 199 V N 5.624 125.338 119.914 -0.334 0.000 2.259 199 V HA 0.529 4.689 4.120 0.066 0.000 0.267 199 V C 0.727 176.703 176.094 -0.196 0.000 1.051 199 V CA -0.304 61.815 62.300 -0.302 0.000 0.830 199 V CB 0.617 32.218 31.823 -0.371 0.000 1.080 199 V HN 0.849 nan 8.190 nan 0.000 0.467 200 G N 3.276 111.977 108.800 -0.164 0.000 3.016 200 G HA2 0.689 4.689 3.960 0.066 0.000 0.270 200 G HA3 0.689 4.689 3.960 0.066 0.000 0.270 200 G C -0.963 173.949 174.900 0.020 0.000 1.352 200 G CA -0.588 44.471 45.100 -0.068 0.000 1.060 200 G HN 0.478 nan 8.290 nan 0.000 0.538 201 N N -1.092 117.670 118.700 0.102 0.000 2.831 201 N HA 0.247 5.027 4.740 0.066 0.000 0.276 201 N C 0.186 175.870 175.510 0.291 0.000 1.416 201 N CA -0.731 52.441 53.050 0.204 0.000 0.799 201 N CB 1.464 40.056 38.487 0.176 0.000 1.554 201 N HN 0.515 nan 8.380 nan 0.000 0.541 202 N N -1.343 117.551 118.700 0.323 0.000 2.314 202 N HA 0.001 4.781 4.740 0.066 0.000 0.200 202 N C -0.441 175.326 175.510 0.429 0.000 1.135 202 N CA -0.085 53.214 53.050 0.414 0.000 0.835 202 N CB -0.157 38.553 38.487 0.371 0.000 0.989 202 N HN 0.551 nan 8.380 nan 0.000 0.478 203 T N -3.579 111.041 114.554 0.110 0.000 2.906 203 T HA 0.476 4.866 4.350 0.066 0.000 0.295 203 T C -2.672 171.412 174.700 -1.026 0.000 1.075 203 T CA -1.606 60.110 62.100 -0.640 0.000 1.005 203 T CB 3.021 71.394 68.868 -0.826 0.000 1.136 203 T HN -0.225 nan 8.240 nan 0.000 0.498 204 P HA 0.239 nan 4.420 nan 0.000 0.255 204 P C 0.291 177.085 177.300 -0.843 0.000 1.248 204 P CA -0.048 62.191 63.100 -1.435 0.000 0.807 204 P CB -0.080 30.689 31.700 -1.552 0.000 1.150 205 I N -4.236 115.808 120.570 -0.876 0.000 3.343 205 I HA 0.574 4.784 4.170 0.066 0.000 0.315 205 I C -1.293 174.561 176.117 -0.438 0.000 1.153 205 I CA -2.090 58.846 61.300 -0.606 0.000 0.952 205 I CB 1.185 38.785 38.000 -0.667 0.000 1.287 205 I HN -0.234 nan 8.210 nan 0.000 0.472 206 F N -0.010 119.651 119.950 -0.481 0.000 2.639 206 F HA 0.512 5.080 4.527 0.068 0.000 0.339 206 F C 0.342 175.874 175.800 -0.447 0.000 1.071 206 F CA -0.774 56.971 58.000 -0.426 0.000 0.994 206 F CB 2.000 40.895 39.000 -0.175 0.000 1.341 206 F HN 0.363 nan 8.300 nan 0.000 0.498 207 F N 2.185 121.297 119.950 -1.398 0.000 2.325 207 F HA 0.041 4.607 4.527 0.065 0.000 0.299 207 F C 0.684 176.174 175.800 -0.518 0.000 1.090 207 F CA 0.813 58.222 58.000 -0.985 0.000 1.392 207 F CB -0.119 37.896 39.000 -1.642 0.000 1.053 207 F HN 0.139 nan 8.300 nan 0.000 0.521 208 I N -3.383 117.140 120.570 -0.079 0.000 3.002 208 I HA 0.375 4.585 4.170 0.066 0.000 0.310 208 I C 0.346 176.614 176.117 0.253 0.000 1.087 208 I CA -0.827 60.566 61.300 0.155 0.000 1.017 208 I CB 1.950 40.112 38.000 0.270 0.000 1.226 208 I HN -0.168 nan 8.210 nan 0.000 0.443 209 Q N 0.318 120.267 119.800 0.247 0.000 2.324 209 Q HA 0.161 4.541 4.340 0.066 0.000 0.207 209 Q C -0.293 175.884 176.000 0.295 0.000 0.928 209 Q CA 0.553 56.541 55.803 0.307 0.000 0.890 209 Q CB 0.546 29.531 28.738 0.411 0.000 1.001 209 Q HN 0.640 nan 8.270 nan 0.000 0.517 210 D N -0.963 119.584 120.400 0.244 0.000 2.375 210 D HA 0.305 4.984 4.640 0.066 0.000 0.247 210 D C 0.085 176.514 176.300 0.215 0.000 1.061 210 D CA -0.169 53.946 54.000 0.191 0.000 0.834 210 D CB 1.856 42.744 40.800 0.146 0.000 1.247 210 D HN 0.069 nan 8.370 nan 0.000 0.489 211 A N 3.497 126.412 122.820 0.158 0.000 2.032 211 A HA -0.262 4.098 4.320 0.066 0.000 0.221 211 A C 1.806 179.509 177.584 0.199 0.000 1.165 211 A CA 1.783 53.907 52.037 0.145 0.000 0.645 211 A CB -0.769 18.259 19.000 0.046 0.000 0.807 211 A HN 0.825 nan 8.150 nan 0.000 0.453 212 H N 0.124 119.255 119.070 0.102 0.000 2.422 212 H HA -0.056 4.538 4.556 0.064 0.000 0.298 212 H C 1.655 177.066 175.328 0.139 0.000 1.098 212 H CA 2.014 58.117 56.048 0.092 0.000 1.315 212 H CB 0.025 29.817 29.762 0.051 0.000 1.382 212 H HN 0.445 nan 8.280 nan 0.000 0.523 213 K N -0.635 119.893 120.400 0.213 0.000 2.459 213 K HA -0.063 4.297 4.320 0.066 0.000 0.193 213 K C 1.605 178.352 176.600 0.245 0.000 1.030 213 K CA 0.198 56.614 56.287 0.215 0.000 1.026 213 K CB -0.024 32.659 32.500 0.305 0.000 0.809 213 K HN 0.302 nan 8.250 nan 0.000 0.504 214 F N 2.784 122.794 119.950 0.100 0.000 2.091 214 F HA -0.168 4.399 4.527 0.067 0.000 0.299 214 F C -0.963 174.845 175.800 0.013 0.000 1.103 214 F CA 1.411 59.492 58.000 0.135 0.000 1.228 214 F CB -0.454 38.610 39.000 0.106 0.000 0.984 214 F HN 0.023 nan 8.300 nan 0.000 0.477 215 P HA -0.119 nan 4.420 nan 0.000 0.222 215 P C 0.880 177.861 177.300 -0.532 0.000 1.147 215 P CA 1.542 64.417 63.100 -0.374 0.000 0.790 215 P CB -0.031 31.463 31.700 -0.344 0.000 0.780 216 D N -1.453 118.782 120.400 -0.275 0.000 2.103 216 D HA -0.118 4.562 4.640 0.066 0.000 0.199 216 D C 1.742 177.717 176.300 -0.541 0.000 0.978 216 D CA 0.954 54.817 54.000 -0.227 0.000 0.829 216 D CB -0.724 40.121 40.800 0.075 0.000 0.981 216 D HN 0.161 nan 8.370 nan 0.000 0.464 217 F N 1.916 121.436 119.950 -0.718 0.000 2.075 217 F HA -0.213 4.353 4.527 0.064 0.000 0.297 217 F C 2.235 177.642 175.800 -0.655 0.000 1.113 217 F CA 1.130 58.508 58.000 -1.036 0.000 1.218 217 F CB -0.232 38.411 39.000 -0.595 0.000 0.984 217 F HN -0.261 nan 8.300 nan 0.000 0.472 218 V N 0.487 119.950 119.914 -0.752 0.000 2.343 218 V HA -0.349 3.811 4.120 0.066 0.000 0.247 218 V C 2.283 178.129 176.094 -0.412 0.000 1.051 218 V CA 2.477 64.376 62.300 -0.669 0.000 1.036 218 V CB -1.125 30.345 31.823 -0.588 0.000 0.654 218 V HN 0.482 nan 8.190 nan 0.000 0.451 219 H N -0.201 118.626 119.070 -0.404 0.000 2.387 219 H HA -0.160 4.435 4.556 0.066 0.000 0.299 219 H C 2.315 177.482 175.328 -0.268 0.000 1.099 219 H CA 1.096 56.989 56.048 -0.258 0.000 1.315 219 H CB 0.010 29.674 29.762 -0.162 0.000 1.380 219 H HN 0.495 nan 8.280 nan 0.000 0.513 220 A N 0.381 123.007 122.820 -0.323 0.000 1.930 220 A HA -0.095 4.264 4.320 0.066 0.000 0.217 220 A C 2.484 179.909 177.584 -0.265 0.000 1.175 220 A CA 1.281 53.134 52.037 -0.306 0.000 0.627 220 A CB -0.631 18.063 19.000 -0.510 0.000 0.815 220 A HN 0.302 nan 8.150 nan 0.000 0.443 221 V N -0.197 119.415 119.914 -0.502 0.000 2.788 221 V HA 0.003 4.162 4.120 0.066 0.000 0.251 221 V C 0.860 176.908 176.094 -0.076 0.000 1.068 221 V CA 0.781 62.878 62.300 -0.339 0.000 1.090 221 V CB -0.498 30.927 31.823 -0.664 0.000 0.710 221 V HN 0.320 nan 8.190 nan 0.000 0.467 222 K N 1.030 121.358 120.400 -0.121 0.000 2.187 222 K HA 0.216 4.576 4.320 0.066 0.000 0.247 222 K C -2.299 174.259 176.600 -0.070 0.000 1.019 222 K CA -1.637 54.600 56.287 -0.084 0.000 0.893 222 K CB -0.342 32.101 32.500 -0.094 0.000 1.025 222 K HN 0.156 nan 8.250 nan 0.000 0.500 223 P HA -0.011 nan 4.420 nan 0.000 0.265 223 P C -0.492 176.750 177.300 -0.097 0.000 1.193 223 P CA 0.405 63.375 63.100 -0.217 0.000 0.765 223 P CB 0.366 31.948 31.700 -0.197 0.000 0.823 224 E N 5.381 125.567 120.200 -0.022 0.000 2.398 224 E HA -0.003 4.387 4.350 0.066 0.000 0.263 224 E C -1.253 175.414 176.600 0.111 0.000 1.046 224 E CA -1.308 55.181 56.400 0.148 0.000 0.908 224 E CB 0.174 30.086 29.700 0.353 0.000 0.963 224 E HN 0.422 nan 8.360 nan 0.000 0.431 225 P HA -0.192 nan 4.420 nan 0.000 0.225 225 P C 1.002 178.361 177.300 0.098 0.000 1.156 225 P CA 1.323 64.454 63.100 0.052 0.000 0.787 225 P CB 0.047 31.757 31.700 0.018 0.000 0.802 226 H N -0.741 118.366 119.070 0.063 0.000 2.326 226 H HA -0.080 4.515 4.556 0.066 0.000 0.301 226 H C 1.504 176.929 175.328 0.162 0.000 1.081 226 H CA 1.427 57.500 56.048 0.040 0.000 1.334 226 H CB -1.312 28.401 29.762 -0.081 0.000 1.385 226 H HN 0.301 nan 8.280 nan 0.000 0.504 227 W N 0.167 121.078 121.300 -0.649 0.000 2.870 227 W HA 0.689 5.388 4.660 0.065 0.000 0.358 227 W C 0.451 176.799 176.519 -0.285 0.000 1.043 227 W CA -1.066 56.038 57.345 -0.401 0.000 1.692 227 W CB -0.731 28.488 29.460 -0.400 0.000 1.100 227 W HN 0.428 nan 8.180 nan 0.000 0.557 228 A N 1.417 124.219 122.820 -0.031 0.000 2.610 228 A HA -0.152 4.208 4.320 0.066 0.000 0.299 228 A C -0.416 176.940 177.584 -0.380 0.000 1.487 228 A CA 1.468 53.408 52.037 -0.162 0.000 0.743 228 A CB -2.388 16.542 19.000 -0.117 0.000 1.070 228 A HN 0.473 nan 8.150 nan 0.000 0.439 229 I N 0.776 120.972 120.570 -0.623 0.000 2.686 229 I HA 0.546 4.756 4.170 0.066 0.000 0.295 229 I C -2.508 173.298 176.117 -0.518 0.000 1.114 229 I CA -2.274 58.554 61.300 -0.785 0.000 1.038 229 I CB 3.099 40.099 38.000 -1.668 0.000 1.238 229 I HN 0.228 nan 8.210 nan 0.000 0.420 230 P HA 0.319 nan 4.420 nan 0.000 0.298 230 P C -1.622 175.520 177.300 -0.262 0.000 1.334 230 P CA -0.866 62.015 63.100 -0.364 0.000 0.942 230 P CB 2.015 33.578 31.700 -0.228 0.000 1.162 231 Q N 0.954 120.642 119.800 -0.187 0.000 2.288 231 Q HA 0.474 4.854 4.340 0.066 0.000 0.254 231 Q C 1.124 177.089 176.000 -0.058 0.000 0.932 231 Q CA 1.189 56.920 55.803 -0.118 0.000 0.902 231 Q CB -0.293 28.384 28.738 -0.101 0.000 1.203 231 Q HN 0.823 nan 8.270 nan 0.000 0.415 232 G N 3.122 111.897 108.800 -0.041 0.000 2.198 232 G HA2 -0.280 3.719 3.960 0.066 0.000 0.260 232 G HA3 -0.280 3.719 3.960 0.066 0.000 0.260 232 G C -0.437 174.478 174.900 0.025 0.000 1.025 232 G CA 0.476 45.577 45.100 0.002 0.000 0.769 232 G HN 0.541 nan 8.290 nan 0.000 0.507 233 Q N -1.118 118.683 119.800 0.001 0.000 2.295 233 Q HA 0.513 4.893 4.340 0.066 0.000 0.268 233 Q C 0.675 176.684 176.000 0.015 0.000 1.010 233 Q CA -0.099 55.729 55.803 0.042 0.000 0.856 233 Q CB 1.711 30.517 28.738 0.113 0.000 1.349 233 Q HN 0.463 nan 8.270 nan 0.000 0.412 234 S N -0.514 115.085 115.700 -0.168 0.000 2.575 234 S HA 0.199 4.708 4.470 0.066 0.000 0.215 234 S C 0.887 175.411 174.600 -0.127 0.000 0.966 234 S CA 0.032 57.895 58.200 -0.560 0.000 0.911 234 S CB 0.331 62.644 63.200 -1.479 0.000 0.780 234 S HN 0.587 nan 8.310 nan 0.000 0.514 235 A N 2.339 125.287 122.820 0.212 0.000 3.063 235 A HA 0.541 4.901 4.320 0.066 0.000 0.263 235 A C 0.099 177.919 177.584 0.393 0.000 1.736 235 A CA -0.602 51.644 52.037 0.348 0.000 1.408 235 A CB -1.169 17.973 19.000 0.236 0.000 1.108 235 A HN 0.884 nan 8.150 nan 0.000 0.621 236 H N -3.588 115.680 119.070 0.330 0.000 3.014 236 H HA 0.493 5.088 4.556 0.066 0.000 0.337 236 H C -0.328 175.198 175.328 0.330 0.000 1.320 236 H CA -0.723 55.485 56.048 0.267 0.000 1.128 236 H CB 0.250 30.130 29.762 0.196 0.000 1.862 236 H HN 0.053 nan 8.280 nan 0.000 0.536 237 D N 0.147 120.727 120.400 0.300 0.000 2.123 237 D HA -0.182 4.497 4.640 0.066 0.000 0.196 237 D C 2.105 178.479 176.300 0.123 0.000 0.992 237 D CA 2.973 57.085 54.000 0.186 0.000 0.833 237 D CB -0.348 40.537 40.800 0.141 0.000 0.954 237 D HN 0.777 nan 8.370 nan 0.000 0.455 238 T N -1.578 113.051 114.554 0.125 0.000 2.833 238 T HA -0.197 4.193 4.350 0.066 0.000 0.269 238 T C 1.905 176.560 174.700 -0.075 0.000 1.054 238 T CA 0.671 62.806 62.100 0.058 0.000 1.135 238 T CB -0.664 68.282 68.868 0.130 0.000 0.869 238 T HN 0.156 nan 8.240 nan 0.000 0.466 239 F N 0.663 120.335 119.950 -0.464 0.000 2.113 239 F HA 0.134 4.700 4.527 0.065 0.000 0.297 239 F C 1.835 177.383 175.800 -0.419 0.000 1.103 239 F CA 0.421 58.070 58.000 -0.584 0.000 1.248 239 F CB -0.585 37.869 39.000 -0.911 0.000 0.999 239 F HN 0.139 nan 8.300 nan 0.000 0.475 240 W N 0.740 121.978 121.300 -0.104 0.000 2.402 240 W HA -0.104 4.596 4.660 0.068 0.000 0.286 240 W C 2.325 178.768 176.519 -0.127 0.000 1.221 240 W CA 1.127 58.399 57.345 -0.121 0.000 1.257 240 W CB -0.668 28.807 29.460 0.025 0.000 1.120 240 W HN 0.081 nan 8.180 nan 0.000 0.551 241 D N -0.554 119.891 120.400 0.076 0.000 2.092 241 D HA -0.309 4.371 4.640 0.066 0.000 0.193 241 D C 1.900 178.204 176.300 0.006 0.000 0.994 241 D CA 1.630 55.661 54.000 0.051 0.000 0.828 241 D CB -0.627 40.214 40.800 0.068 0.000 0.963 241 D HN 0.197 nan 8.370 nan 0.000 0.450 242 Y N 0.317 120.511 120.300 -0.175 0.000 2.128 242 Y HA -0.210 4.379 4.550 0.066 0.000 0.284 242 Y C 2.295 178.059 175.900 -0.226 0.000 1.154 242 Y CA 1.573 59.557 58.100 -0.193 0.000 1.149 242 Y CB -0.382 37.926 38.460 -0.253 0.000 0.976 242 Y HN -0.095 nan 8.280 nan 0.000 0.505 243 V N 0.081 119.861 119.914 -0.224 0.000 2.287 243 V HA -0.348 3.812 4.120 0.066 0.000 0.248 243 V C 2.585 178.616 176.094 -0.105 0.000 1.053 243 V CA 2.247 64.405 62.300 -0.237 0.000 1.027 243 V CB -1.191 30.379 31.823 -0.423 0.000 0.646 243 V HN 0.670 nan 8.190 nan 0.000 0.447 244 S N -0.276 115.411 115.700 -0.022 0.000 2.419 244 S HA -0.071 4.439 4.470 0.066 0.000 0.233 244 S C 1.722 176.292 174.600 -0.051 0.000 1.016 244 S CA 1.371 59.583 58.200 0.020 0.000 0.974 244 S CB -0.463 62.780 63.200 0.071 0.000 0.786 244 S HN 0.556 nan 8.310 nan 0.000 0.492 245 L N -0.023 121.122 121.223 -0.130 0.000 2.585 245 L HA 0.307 4.687 4.340 0.066 0.000 0.226 245 L C 0.614 177.311 176.870 -0.289 0.000 1.113 245 L CA 0.183 54.916 54.840 -0.178 0.000 0.876 245 L CB 0.031 41.991 42.059 -0.165 0.000 1.072 245 L HN 0.258 nan 8.230 nan 0.000 0.468 246 Q N 0.065 119.649 119.800 -0.360 0.000 3.244 246 Q HA 0.224 4.603 4.340 0.066 0.000 0.249 246 Q C -1.933 173.838 176.000 -0.382 0.000 0.951 246 Q CA -1.428 54.115 55.803 -0.433 0.000 0.740 246 Q CB 1.414 29.771 28.738 -0.635 0.000 1.334 246 Q HN -0.003 nan 8.270 nan 0.000 0.448 247 P HA -0.238 nan 4.420 nan 0.000 0.221 247 P C 1.075 178.064 177.300 -0.519 0.000 1.145 247 P CA 1.215 64.061 63.100 -0.423 0.000 0.795 247 P CB 0.221 31.636 31.700 -0.474 0.000 0.775 248 E N 0.644 120.379 120.200 -0.776 0.000 2.219 248 E HA -0.207 4.183 4.350 0.066 0.000 0.198 248 E C 1.397 177.936 176.600 -0.102 0.000 0.998 248 E CA 1.932 58.142 56.400 -0.317 0.000 0.818 248 E CB -1.350 28.248 29.700 -0.169 0.000 0.741 248 E HN 0.302 nan 8.360 nan 0.000 0.477 249 T N -0.857 113.638 114.554 -0.098 0.000 3.072 249 T HA 0.031 4.420 4.350 0.066 0.000 0.266 249 T C 1.866 176.615 174.700 0.081 0.000 1.127 249 T CA 0.426 62.533 62.100 0.010 0.000 1.107 249 T CB -0.250 68.651 68.868 0.055 0.000 0.910 249 T HN 0.154 nan 8.240 nan 0.000 0.513 250 L N -0.132 121.148 121.223 0.095 0.000 2.141 250 L HA 0.010 4.390 4.340 0.066 0.000 0.209 250 L C 2.819 179.851 176.870 0.270 0.000 1.094 250 L CA 1.398 56.372 54.840 0.223 0.000 0.763 250 L CB -0.714 41.496 42.059 0.251 0.000 0.908 250 L HN 0.458 nan 8.230 nan 0.000 0.437 251 H N 0.122 119.229 119.070 0.061 0.000 2.293 251 H HA -0.206 4.390 4.556 0.066 0.000 0.300 251 H C 2.100 177.412 175.328 -0.027 0.000 1.082 251 H CA 1.825 57.904 56.048 0.052 0.000 1.308 251 H CB 0.247 30.005 29.762 -0.006 0.000 1.375 251 H HN 0.356 nan 8.280 nan 0.000 0.495 252 N N -0.097 118.400 118.700 -0.337 0.000 2.331 252 N HA -0.115 4.665 4.740 0.066 0.000 0.180 252 N C 1.931 177.240 175.510 -0.336 0.000 1.019 252 N CA 0.596 53.220 53.050 -0.710 0.000 0.881 252 N CB 0.322 37.928 38.487 -1.468 0.000 0.972 252 N HN 0.120 nan 8.380 nan 0.000 0.435 253 V N 1.742 121.684 119.914 0.046 0.000 2.287 253 V HA -0.280 3.879 4.120 0.066 0.000 0.248 253 V C 2.531 178.749 176.094 0.207 0.000 1.053 253 V CA 1.352 63.832 62.300 0.301 0.000 1.027 253 V CB -0.396 31.666 31.823 0.398 0.000 0.646 253 V HN 0.410 nan 8.190 nan 0.000 0.447 254 M N -1.647 118.125 119.600 0.286 0.000 2.108 254 M HA -0.223 4.297 4.480 0.066 0.000 0.261 254 M C 2.072 178.402 176.300 0.051 0.000 1.066 254 M CA 1.917 57.404 55.300 0.313 0.000 1.107 254 M CB -1.278 31.548 32.600 0.377 0.000 1.356 254 M HN 0.482 nan 8.290 nan 0.000 0.406 255 W N 0.372 121.423 121.300 -0.415 0.000 2.381 255 W HA -0.054 4.647 4.660 0.068 0.000 0.301 255 W C 2.792 179.248 176.519 -0.104 0.000 1.205 255 W CA 1.775 58.840 57.345 -0.467 0.000 1.285 255 W CB -0.949 28.160 29.460 -0.585 0.000 1.133 255 W HN 0.286 nan 8.180 nan 0.000 0.521 256 A N -0.648 122.260 122.820 0.148 0.000 1.930 256 A HA -0.179 4.181 4.320 0.066 0.000 0.217 256 A C 1.935 179.571 177.584 0.087 0.000 1.175 256 A CA 1.643 53.765 52.037 0.142 0.000 0.627 256 A CB -0.612 18.501 19.000 0.188 0.000 0.815 256 A HN 0.079 nan 8.150 nan 0.000 0.443 257 M N 0.817 120.425 119.600 0.013 0.000 2.394 257 M HA -0.003 4.517 4.480 0.066 0.000 0.264 257 M C 1.497 177.850 176.300 0.089 0.000 1.073 257 M CA 0.873 56.126 55.300 -0.078 0.000 1.111 257 M CB -1.474 30.824 32.600 -0.503 0.000 1.401 257 M HN 0.555 nan 8.290 nan 0.000 0.448 258 S N 0.145 115.958 115.700 0.188 0.000 2.641 258 S HA 0.098 4.608 4.470 0.066 0.000 0.261 258 S C 0.733 175.470 174.600 0.229 0.000 1.257 258 S CA -0.493 57.855 58.200 0.247 0.000 0.983 258 S CB 0.921 64.316 63.200 0.326 0.000 0.990 258 S HN 0.182 nan 8.310 nan 0.000 0.572 259 D N 0.162 120.712 120.400 0.251 0.000 2.378 259 D HA 0.025 4.705 4.640 0.066 0.000 0.222 259 D C 1.791 178.240 176.300 0.249 0.000 0.980 259 D CA 0.323 54.492 54.000 0.282 0.000 0.907 259 D CB -0.153 40.878 40.800 0.385 0.000 0.899 259 D HN 0.377 nan 8.370 nan 0.000 0.527 260 R N 0.174 120.816 120.500 0.236 0.000 2.193 260 R HA -0.039 4.341 4.340 0.066 0.000 0.229 260 R C 2.028 178.490 176.300 0.270 0.000 1.110 260 R CA 0.854 57.119 56.100 0.275 0.000 0.988 260 R CB -0.737 29.799 30.300 0.394 0.000 0.871 260 R HN 0.174 nan 8.270 nan 0.000 0.458 261 G N 1.282 110.228 108.800 0.243 0.000 2.679 261 G HA2 -0.027 3.972 3.960 0.066 0.000 0.212 261 G HA3 -0.027 3.972 3.960 0.066 0.000 0.212 261 G C 1.004 176.047 174.900 0.238 0.000 1.137 261 G CA 0.120 45.352 45.100 0.221 0.000 0.787 261 G HN 0.419 nan 8.290 nan 0.000 0.534 262 I N -2.247 118.475 120.570 0.254 0.000 2.917 262 I HA 0.352 4.562 4.170 0.066 0.000 0.292 262 I C -2.867 173.407 176.117 0.261 0.000 1.510 262 I CA -2.541 58.916 61.300 0.263 0.000 0.858 262 I CB 1.805 39.968 38.000 0.271 0.000 1.862 262 I HN -0.261 nan 8.210 nan 0.000 0.615 263 P HA 0.073 nan 4.420 nan 0.000 0.269 263 P C 0.495 177.938 177.300 0.238 0.000 1.215 263 P CA -0.167 63.041 63.100 0.181 0.000 0.780 263 P CB 1.309 33.048 31.700 0.066 0.000 0.898 264 R N 1.587 122.207 120.500 0.200 0.000 2.148 264 R HA 0.031 4.411 4.340 0.066 0.000 0.227 264 R C 0.406 176.852 176.300 0.243 0.000 1.103 264 R CA 1.281 57.547 56.100 0.276 0.000 0.983 264 R CB -0.372 30.064 30.300 0.227 0.000 0.874 264 R HN 0.560 nan 8.270 nan 0.000 0.451 265 S N -2.749 112.882 115.700 -0.116 0.000 2.565 265 S HA 0.184 4.694 4.470 0.066 0.000 0.274 265 S C -0.432 173.840 174.600 -0.546 0.000 1.144 265 S CA -0.858 57.115 58.200 -0.379 0.000 0.849 265 S CB 0.005 63.123 63.200 -0.137 0.000 1.103 265 S HN 0.096 nan 8.310 nan 0.000 0.455 266 Y N 2.370 122.290 120.300 -0.633 0.000 2.403 266 Y HA 0.046 4.637 4.550 0.067 0.000 0.291 266 Y C 2.318 177.849 175.900 -0.614 0.000 1.143 266 Y CA 1.155 58.745 58.100 -0.851 0.000 1.257 266 Y CB -0.281 37.258 38.460 -1.535 0.000 0.984 266 Y HN 0.569 nan 8.280 nan 0.000 0.550 267 R N -0.659 119.696 120.500 -0.242 0.000 2.236 267 R HA -0.011 4.369 4.340 0.066 0.000 0.208 267 R C 1.117 177.367 176.300 -0.084 0.000 1.036 267 R CA 1.461 57.474 56.100 -0.145 0.000 1.001 267 R CB -0.349 29.863 30.300 -0.146 0.000 0.896 267 R HN 0.317 nan 8.270 nan 0.000 0.464 268 T N -1.775 112.748 114.554 -0.053 0.000 3.331 268 T HA 0.343 4.733 4.350 0.066 0.000 0.282 268 T C 0.204 174.941 174.700 0.062 0.000 1.010 268 T CA -0.695 61.407 62.100 0.004 0.000 0.928 268 T CB -0.064 68.795 68.868 -0.014 0.000 1.154 268 T HN 0.076 nan 8.240 nan 0.000 0.516 269 M N -1.033 118.643 119.600 0.126 0.000 2.644 269 M HA 0.737 5.257 4.480 0.066 0.000 0.304 269 M C -1.009 175.470 176.300 0.298 0.000 1.215 269 M CA -0.911 54.509 55.300 0.199 0.000 0.871 269 M CB 2.077 34.796 32.600 0.197 0.000 1.740 269 M HN -0.158 nan 8.290 nan 0.000 0.464 270 E N 0.434 120.808 120.200 0.290 0.000 2.345 270 E HA 0.631 5.020 4.350 0.066 0.000 0.259 270 E C -0.256 176.429 176.600 0.142 0.000 1.117 270 E CA -0.487 56.020 56.400 0.179 0.000 0.913 270 E CB 1.622 31.342 29.700 0.034 0.000 1.057 270 E HN 0.856 nan 8.360 nan 0.000 0.432 271 G N 0.729 109.464 108.800 -0.109 0.000 2.498 271 G HA2 0.646 4.645 3.960 0.066 0.000 0.312 271 G HA3 0.646 4.645 3.960 0.066 0.000 0.312 271 G C -1.421 173.061 174.900 -0.695 0.000 1.230 271 G CA -0.459 44.543 45.100 -0.164 0.000 0.968 271 G HN 0.303 nan 8.290 nan 0.000 0.481 272 F N -0.940 118.951 119.950 -0.099 0.000 2.631 272 F HA 0.522 5.088 4.527 0.065 0.000 0.308 272 F C 1.059 176.759 175.800 -0.166 0.000 1.097 272 F CA -0.519 57.341 58.000 -0.233 0.000 0.952 272 F CB 2.434 41.247 39.000 -0.312 0.000 1.307 272 F HN 0.601 nan 8.300 nan 0.000 0.450 273 G N -0.721 108.134 108.800 0.091 0.000 2.880 273 G HA2 0.185 4.185 3.960 0.066 0.000 0.209 273 G HA3 0.185 4.185 3.960 0.066 0.000 0.209 273 G C 0.690 175.646 174.900 0.093 0.000 1.157 273 G CA 0.688 45.886 45.100 0.164 0.000 0.779 273 G HN 0.989 nan 8.290 nan 0.000 0.539 274 C N -1.305 117.951 119.300 -0.074 0.000 5.887 274 C HA -0.158 4.341 4.460 0.066 0.000 0.327 274 C C 0.816 175.530 174.990 -0.461 0.000 2.420 274 C CA 0.744 59.550 59.018 -0.352 0.000 2.184 274 C CB -1.974 25.431 27.740 -0.559 0.000 3.223 274 C HN 0.600 nan 8.230 nan 0.000 0.271 275 H N 0.027 119.145 119.070 0.080 0.000 2.710 275 H HA 0.503 5.100 4.556 0.068 0.000 0.361 275 H C -0.170 175.141 175.328 -0.029 0.000 1.175 275 H CA 0.069 56.085 56.048 -0.053 0.000 1.206 275 H CB 0.711 30.314 29.762 -0.265 0.000 1.750 275 H HN 0.275 nan 8.280 nan 0.000 0.553 276 T N 2.642 117.203 114.554 0.012 0.000 2.761 276 T HA 0.245 4.635 4.350 0.066 0.000 0.296 276 T C 0.137 174.797 174.700 -0.066 0.000 0.934 276 T CA 0.064 62.148 62.100 -0.026 0.000 1.091 276 T CB -0.374 68.421 68.868 -0.122 0.000 0.896 276 T HN 0.200 nan 8.240 nan 0.000 0.515 277 F N 1.378 121.289 119.950 -0.064 0.000 2.544 277 F HA 0.642 5.207 4.527 0.064 0.000 0.378 277 F C 1.120 176.875 175.800 -0.075 0.000 1.112 277 F CA -1.365 56.621 58.000 -0.023 0.000 1.115 277 F CB 1.263 40.242 39.000 -0.035 0.000 1.436 277 F HN 0.159 nan 8.300 nan 0.000 0.496 278 R N 0.683 121.230 120.500 0.078 0.000 2.670 278 R HA 0.586 4.966 4.340 0.066 0.000 0.289 278 R C -1.545 174.638 176.300 -0.194 0.000 0.965 278 R CA -0.817 55.198 56.100 -0.142 0.000 0.899 278 R CB 1.834 31.987 30.300 -0.245 0.000 1.173 278 R HN 0.431 nan 8.270 nan 0.000 0.456 279 L N 4.037 125.097 121.223 -0.270 0.000 2.325 279 L HA 0.512 4.892 4.340 0.066 0.000 0.279 279 L C -0.334 176.381 176.870 -0.260 0.000 1.054 279 L CA -0.808 53.881 54.840 -0.252 0.000 0.804 279 L CB 1.134 43.049 42.059 -0.240 0.000 1.200 279 L HN 0.384 nan 8.230 nan 0.000 0.436 280 I N 2.830 123.273 120.570 -0.212 0.000 2.447 280 I HA 0.255 4.465 4.170 0.066 0.000 0.287 280 I C -0.266 175.768 176.117 -0.137 0.000 1.023 280 I CA -0.723 60.458 61.300 -0.198 0.000 1.083 280 I CB 1.388 39.279 38.000 -0.182 0.000 1.245 280 I HN 0.623 nan 8.210 nan 0.000 0.434 281 N N 4.927 123.559 118.700 -0.114 0.000 2.405 281 N HA 0.353 5.133 4.740 0.066 0.000 0.269 281 N C 0.899 176.373 175.510 -0.061 0.000 1.249 281 N CA -0.258 52.745 53.050 -0.078 0.000 0.974 281 N CB 0.705 39.154 38.487 -0.064 0.000 1.204 281 N HN 0.538 nan 8.380 nan 0.000 0.565 282 A N -0.385 122.407 122.820 -0.046 0.000 1.978 282 A HA -0.143 4.217 4.320 0.066 0.000 0.220 282 A C 1.539 179.105 177.584 -0.030 0.000 1.170 282 A CA 1.181 53.197 52.037 -0.036 0.000 0.636 282 A CB -0.638 18.347 19.000 -0.026 0.000 0.810 282 A HN 0.710 nan 8.150 nan 0.000 0.448 283 E N -1.159 119.024 120.200 -0.028 0.000 2.516 283 E HA 0.103 4.493 4.350 0.066 0.000 0.199 283 E C 1.357 177.949 176.600 -0.013 0.000 1.069 283 E CA 0.721 57.109 56.400 -0.020 0.000 0.876 283 E CB -0.376 29.313 29.700 -0.018 0.000 0.843 283 E HN 0.832 nan 8.360 nan 0.000 0.530 284 G N 1.931 110.721 108.800 -0.017 0.000 2.176 284 G HA2 -0.333 3.666 3.960 0.066 0.000 0.253 284 G HA3 -0.333 3.666 3.960 0.066 0.000 0.253 284 G C 0.391 175.314 174.900 0.038 0.000 0.979 284 G CA 0.433 45.542 45.100 0.016 0.000 0.641 284 G HN 0.292 nan 8.290 nan 0.000 0.530 285 K N 0.998 121.382 120.400 -0.026 0.000 2.379 285 K HA 0.611 4.971 4.320 0.066 0.000 0.284 285 K C 0.700 177.178 176.600 -0.203 0.000 1.044 285 K CA 0.232 56.478 56.287 -0.068 0.000 0.974 285 K CB 0.375 32.834 32.500 -0.069 0.000 0.962 285 K HN 0.551 nan 8.250 nan 0.000 0.474 286 A N 3.826 126.415 122.820 -0.384 0.000 2.328 286 A HA 0.329 4.689 4.320 0.066 0.000 0.284 286 A C -0.593 176.681 177.584 -0.515 0.000 1.160 286 A CA -0.370 51.273 52.037 -0.657 0.000 0.818 286 A CB 0.783 18.948 19.000 -1.393 0.000 1.087 286 A HN 0.728 nan 8.150 nan 0.000 0.504 287 T N 2.692 116.983 114.554 -0.438 0.000 2.824 287 T HA 0.531 4.921 4.350 0.066 0.000 0.282 287 T C -0.510 173.984 174.700 -0.344 0.000 0.993 287 T CA -0.104 61.796 62.100 -0.333 0.000 0.967 287 T CB 0.468 69.229 68.868 -0.177 0.000 0.960 287 T HN 0.340 nan 8.240 nan 0.000 0.441 288 F N 2.032 121.891 119.950 -0.152 0.000 2.471 288 F HA 0.497 5.062 4.527 0.065 0.000 0.353 288 F C 0.584 176.270 175.800 -0.191 0.000 1.113 288 F CA -0.376 57.531 58.000 -0.156 0.000 1.262 288 F CB 0.634 39.568 39.000 -0.109 0.000 1.146 288 F HN 0.193 nan 8.300 nan 0.000 0.578 289 V N 4.649 124.523 119.914 -0.067 0.000 2.841 289 V HA 0.602 4.762 4.120 0.066 0.000 0.310 289 V C -0.975 174.900 176.094 -0.365 0.000 1.090 289 V CA -0.773 61.334 62.300 -0.321 0.000 0.930 289 V CB 2.065 33.456 31.823 -0.720 0.000 1.014 289 V HN 0.764 nan 8.190 nan 0.000 0.425 290 R N 4.796 125.135 120.500 -0.268 0.000 2.562 290 R HA 0.556 4.936 4.340 0.066 0.000 0.298 290 R C -1.591 174.638 176.300 -0.120 0.000 0.961 290 R CA -0.452 55.529 56.100 -0.198 0.000 0.881 290 R CB 2.020 32.327 30.300 0.011 0.000 1.159 290 R HN 0.600 nan 8.270 nan 0.000 0.450 291 F N 2.102 122.091 119.950 0.064 0.000 2.385 291 F HA 0.355 4.921 4.527 0.065 0.000 0.336 291 F C 1.005 176.743 175.800 -0.104 0.000 1.100 291 F CA -0.067 57.949 58.000 0.025 0.000 1.116 291 F CB 0.830 39.724 39.000 -0.178 0.000 1.166 291 F HN 0.200 nan 8.300 nan 0.000 0.511 292 H N 0.802 119.876 119.070 0.008 0.000 2.768 292 H HA 0.247 4.843 4.556 0.067 0.000 0.371 292 H C -1.578 173.543 175.328 -0.344 0.000 1.151 292 H CA -1.023 54.923 56.048 -0.170 0.000 1.165 292 H CB 1.968 31.719 29.762 -0.017 0.000 1.722 292 H HN 0.682 nan 8.280 nan 0.000 0.543 293 W N 2.402 123.597 121.300 -0.176 0.000 2.538 293 W HA 0.307 5.006 4.660 0.065 0.000 0.322 293 W C -0.094 176.469 176.519 0.073 0.000 1.028 293 W CA -0.779 56.529 57.345 -0.061 0.000 1.228 293 W CB 1.766 31.032 29.460 -0.324 0.000 1.356 293 W HN 0.283 nan 8.180 nan 0.000 0.452 294 K N 5.802 126.482 120.400 0.465 0.000 2.240 294 K HA 0.380 4.740 4.320 0.066 0.000 0.271 294 K C -2.386 174.442 176.600 0.380 0.000 1.018 294 K CA -1.832 54.659 56.287 0.340 0.000 0.874 294 K CB 1.345 33.996 32.500 0.252 0.000 1.098 294 K HN 0.044 nan 8.250 nan 0.000 0.458 295 P HA 0.057 nan 4.420 nan 0.000 0.282 295 P C 0.413 177.723 177.300 0.018 0.000 1.274 295 P CA -0.117 63.055 63.100 0.119 0.000 0.770 295 P CB 0.775 32.555 31.700 0.133 0.000 0.867 296 L N 2.644 123.821 121.223 -0.076 0.000 2.362 296 L HA -0.086 4.293 4.340 0.066 0.000 0.219 296 L C 2.131 178.981 176.870 -0.033 0.000 1.134 296 L CA 1.157 55.984 54.840 -0.021 0.000 0.807 296 L CB -0.663 41.393 42.059 -0.004 0.000 0.927 296 L HN 0.343 nan 8.230 nan 0.000 0.447 297 A N 0.077 122.849 122.820 -0.080 0.000 2.238 297 A HA 0.419 4.778 4.320 0.066 0.000 0.208 297 A C 1.254 178.836 177.584 -0.004 0.000 1.177 297 A CA 0.644 52.653 52.037 -0.047 0.000 0.804 297 A CB -0.429 18.526 19.000 -0.075 0.000 0.823 297 A HN 0.462 nan 8.150 nan 0.000 0.482 298 G N -0.632 108.179 108.800 0.019 0.000 2.756 298 G HA2 -0.133 3.866 3.960 0.066 0.000 0.678 298 G HA3 -0.133 3.866 3.960 0.066 0.000 0.678 298 G C -0.639 174.292 174.900 0.052 0.000 1.349 298 G CA -0.470 44.661 45.100 0.051 0.000 0.847 298 G HN 0.438 nan 8.290 nan 0.000 0.548 299 K N 0.260 120.697 120.400 0.062 0.000 2.211 299 K HA 0.699 5.059 4.320 0.066 0.000 0.275 299 K C 0.200 176.800 176.600 0.000 0.000 1.024 299 K CA 0.245 56.555 56.287 0.038 0.000 0.887 299 K CB 1.666 34.177 32.500 0.017 0.000 1.084 299 K HN 1.378 nan 8.250 nan 0.000 0.463 300 A N 1.913 124.720 122.820 -0.022 0.000 2.517 300 A HA 0.609 4.969 4.320 0.066 0.000 0.297 300 A C -1.096 176.523 177.584 0.058 0.000 1.050 300 A CA -0.668 51.302 52.037 -0.111 0.000 0.694 300 A CB 1.729 20.467 19.000 -0.437 0.000 1.277 300 A HN 0.521 nan 8.150 nan 0.000 0.400 301 S N 0.495 116.375 115.700 0.301 0.000 2.634 301 S HA 0.752 5.261 4.470 0.066 0.000 0.296 301 S C -0.114 174.799 174.600 0.521 0.000 1.104 301 S CA -0.622 57.808 58.200 0.382 0.000 0.920 301 S CB 1.168 64.587 63.200 0.365 0.000 1.111 301 S HN 0.647 nan 8.310 nan 0.000 0.493 302 L N 1.425 122.853 121.223 0.343 0.000 2.479 302 L HA 0.508 4.887 4.340 0.066 0.000 0.248 302 L C 0.145 177.144 176.870 0.216 0.000 1.205 302 L CA -0.752 54.214 54.840 0.210 0.000 0.817 302 L CB 0.155 42.252 42.059 0.063 0.000 1.162 302 L HN 0.487 nan 8.230 nan 0.000 0.486 303 V N -2.776 117.164 119.914 0.043 0.000 2.850 303 V HA 0.187 4.346 4.120 0.066 0.000 0.315 303 V C 0.682 176.730 176.094 -0.076 0.000 1.064 303 V CA -0.754 61.546 62.300 0.000 0.000 0.979 303 V CB 1.635 33.428 31.823 -0.051 0.000 1.039 303 V HN 0.969 nan 8.190 nan 0.000 0.452 304 W N 1.624 122.801 121.300 -0.205 0.000 2.355 304 W HA -0.184 4.515 4.660 0.066 0.000 0.309 304 W C 1.770 178.142 176.519 -0.245 0.000 1.206 304 W CA 2.341 59.561 57.345 -0.209 0.000 1.284 304 W CB -0.100 29.220 29.460 -0.233 0.000 1.145 304 W HN 0.980 nan 8.180 nan 0.000 0.502 305 D N 0.414 120.527 120.400 -0.478 0.000 2.123 305 D HA -0.299 4.380 4.640 0.066 0.000 0.196 305 D C 2.143 178.112 176.300 -0.551 0.000 0.992 305 D CA 2.176 55.870 54.000 -0.509 0.000 0.833 305 D CB -0.488 40.265 40.800 -0.080 0.000 0.954 305 D HN 0.370 nan 8.370 nan 0.000 0.455 306 E N -0.299 119.455 120.200 -0.744 0.000 2.031 306 E HA -0.223 4.167 4.350 0.066 0.000 0.193 306 E C 2.055 178.324 176.600 -0.552 0.000 0.994 306 E CA 1.115 57.013 56.400 -0.837 0.000 0.800 306 E CB -0.260 28.792 29.700 -1.079 0.000 0.752 306 E HN 0.301 nan 8.360 nan 0.000 0.447 307 A N 1.280 123.807 122.820 -0.488 0.000 1.892 307 A HA -0.293 4.066 4.320 0.066 0.000 0.218 307 A C 2.205 179.477 177.584 -0.519 0.000 1.188 307 A CA 2.019 53.818 52.037 -0.396 0.000 0.631 307 A CB -0.816 18.073 19.000 -0.186 0.000 0.822 307 A HN 0.478 nan 8.150 nan 0.000 0.447 308 Q N -0.666 118.608 119.800 -0.877 0.000 2.046 308 Q HA -0.184 4.195 4.340 0.066 0.000 0.200 308 Q C 2.206 177.927 176.000 -0.466 0.000 0.975 308 Q CA 1.812 57.107 55.803 -0.847 0.000 0.836 308 Q CB -0.155 27.746 28.738 -1.395 0.000 0.896 308 Q HN 0.676 nan 8.270 nan 0.000 0.428 309 K N 0.049 120.197 120.400 -0.420 0.000 2.148 309 K HA -0.146 4.213 4.320 0.066 0.000 0.204 309 K C 1.991 178.452 176.600 -0.232 0.000 1.050 309 K CA 0.715 56.849 56.287 -0.255 0.000 0.942 309 K CB -0.000 32.393 32.500 -0.179 0.000 0.724 309 K HN 0.185 nan 8.250 nan 0.000 0.446 310 L N 1.183 122.229 121.223 -0.295 0.000 2.313 310 L HA -0.069 4.310 4.340 0.066 0.000 0.214 310 L C 2.100 178.843 176.870 -0.211 0.000 1.119 310 L CA 1.853 56.521 54.840 -0.286 0.000 0.809 310 L CB -0.663 41.142 42.059 -0.423 0.000 0.933 310 L HN 0.270 nan 8.230 nan 0.000 0.449 311 T N -4.202 110.232 114.554 -0.200 0.000 2.881 311 T HA -0.059 4.331 4.350 0.066 0.000 0.270 311 T C 1.812 176.455 174.700 -0.094 0.000 1.068 311 T CA 1.019 63.043 62.100 -0.127 0.000 1.131 311 T CB -0.845 67.961 68.868 -0.103 0.000 0.871 311 T HN 0.368 nan 8.240 nan 0.000 0.479 312 G N 1.006 109.742 108.800 -0.106 0.000 2.441 312 G HA2 0.026 4.026 3.960 0.066 0.000 0.212 312 G HA3 0.026 4.026 3.960 0.066 0.000 0.212 312 G C 1.895 176.754 174.900 -0.068 0.000 1.164 312 G CA -0.297 44.756 45.100 -0.077 0.000 0.811 312 G HN 0.299 nan 8.290 nan 0.000 0.535 313 R N 0.302 120.751 120.500 -0.085 0.000 2.115 313 R HA 0.045 4.424 4.340 0.066 0.000 0.226 313 R C -0.175 176.101 176.300 -0.040 0.000 1.100 313 R CA 0.783 56.845 56.100 -0.063 0.000 0.980 313 R CB -0.200 30.053 30.300 -0.078 0.000 0.875 313 R HN 0.333 nan 8.270 nan 0.000 0.445 314 D N -0.504 119.869 120.400 -0.046 0.000 2.411 314 D HA 0.141 4.821 4.640 0.066 0.000 0.239 314 D C -2.136 174.170 176.300 0.011 0.000 1.307 314 D CA -1.762 52.245 54.000 0.010 0.000 0.930 314 D CB 1.381 42.234 40.800 0.088 0.000 1.395 314 D HN -0.143 nan 8.370 nan 0.000 0.536 315 P HA 0.010 nan 4.420 nan 0.000 0.231 315 P C 0.028 177.337 177.300 0.015 0.000 1.158 315 P CA 0.601 63.694 63.100 -0.012 0.000 0.763 315 P CB 0.502 32.192 31.700 -0.017 0.000 0.805 316 D N -1.430 118.991 120.400 0.034 0.000 2.427 316 D HA 0.073 4.752 4.640 0.066 0.000 0.224 316 D C 1.191 177.526 176.300 0.059 0.000 1.157 316 D CA -0.423 53.601 54.000 0.041 0.000 0.828 316 D CB -0.531 40.272 40.800 0.005 0.000 0.974 316 D HN 0.128 nan 8.370 nan 0.000 0.498 317 F N 1.162 121.060 119.950 -0.086 0.000 2.126 317 F HA -0.213 4.354 4.527 0.066 0.000 0.299 317 F C 2.035 177.818 175.800 -0.028 0.000 1.096 317 F CA 1.832 59.777 58.000 -0.091 0.000 1.255 317 F CB 0.105 38.995 39.000 -0.183 0.000 0.997 317 F HN 0.096 nan 8.300 nan 0.000 0.479 318 H N -1.256 117.720 119.070 -0.156 0.000 2.372 318 H HA -0.039 4.557 4.556 0.066 0.000 0.301 318 H C 2.382 177.622 175.328 -0.147 0.000 1.065 318 H CA 0.755 56.583 56.048 -0.366 0.000 1.364 318 H CB -0.094 29.279 29.762 -0.649 0.000 1.406 318 H HN 0.142 nan 8.280 nan 0.000 0.521 319 R N 1.249 121.857 120.500 0.181 0.000 2.083 319 R HA -0.165 4.214 4.340 0.066 0.000 0.237 319 R C 2.461 178.868 176.300 0.177 0.000 1.137 319 R CA 1.589 57.839 56.100 0.249 0.000 0.951 319 R CB -0.054 30.377 30.300 0.219 0.000 0.851 319 R HN 0.207 nan 8.270 nan 0.000 0.434 320 R N 0.284 120.808 120.500 0.040 0.000 2.066 320 R HA -0.141 4.239 4.340 0.066 0.000 0.232 320 R C 2.172 178.471 176.300 -0.003 0.000 1.131 320 R CA 1.669 57.775 56.100 0.011 0.000 0.955 320 R CB -0.275 29.995 30.300 -0.051 0.000 0.851 320 R HN 0.273 nan 8.270 nan 0.000 0.432 321 E N 0.704 120.788 120.200 -0.194 0.000 2.077 321 E HA -0.206 4.183 4.350 0.066 0.000 0.193 321 E C 2.037 178.609 176.600 -0.046 0.000 0.989 321 E CA 1.137 57.405 56.400 -0.220 0.000 0.800 321 E CB -0.085 29.314 29.700 -0.501 0.000 0.746 321 E HN 0.266 nan 8.360 nan 0.000 0.452 322 L N 0.969 122.205 121.223 0.022 0.000 1.994 322 L HA -0.174 4.206 4.340 0.066 0.000 0.208 322 L C 2.249 179.216 176.870 0.163 0.000 1.071 322 L CA 1.931 56.830 54.840 0.099 0.000 0.745 322 L CB -0.984 41.193 42.059 0.197 0.000 0.892 322 L HN 0.330 nan 8.230 nan 0.000 0.431 323 W N 0.916 122.251 121.300 0.057 0.000 2.335 323 W HA -0.225 4.474 4.660 0.065 0.000 0.311 323 W C 2.209 178.758 176.519 0.050 0.000 1.213 323 W CA 2.228 59.619 57.345 0.076 0.000 1.274 323 W CB -0.159 29.350 29.460 0.082 0.000 1.148 323 W HN 0.369 nan 8.180 nan 0.000 0.498 324 E N -0.270 120.097 120.200 0.278 0.000 2.216 324 E HA -0.083 4.307 4.350 0.066 0.000 0.192 324 E C 2.320 178.952 176.600 0.053 0.000 0.988 324 E CA 0.841 57.331 56.400 0.151 0.000 0.834 324 E CB -0.234 29.510 29.700 0.072 0.000 0.772 324 E HN 0.179 nan 8.360 nan 0.000 0.479 325 A N 1.102 123.953 122.820 0.051 0.000 1.898 325 A HA -0.129 4.230 4.320 0.066 0.000 0.216 325 A C 2.116 179.730 177.584 0.049 0.000 1.181 325 A CA 0.866 52.926 52.037 0.038 0.000 0.620 325 A CB -0.381 18.639 19.000 0.034 0.000 0.819 325 A HN 0.119 nan 8.150 nan 0.000 0.442 326 I N -0.429 120.185 120.570 0.074 0.000 2.252 326 I HA -0.212 3.997 4.170 0.066 0.000 0.245 326 I C 2.396 178.585 176.117 0.120 0.000 1.102 326 I CA 1.264 62.656 61.300 0.153 0.000 1.385 326 I CB -0.401 37.614 38.000 0.026 0.000 1.064 326 I HN 0.406 nan 8.210 nan 0.000 0.414 327 E N 0.848 121.068 120.200 0.033 0.000 2.209 327 E HA -0.216 4.173 4.350 0.066 0.000 0.196 327 E C 2.050 178.669 176.600 0.032 0.000 0.993 327 E CA 1.304 57.738 56.400 0.056 0.000 0.819 327 E CB -0.100 29.665 29.700 0.108 0.000 0.745 327 E HN 0.510 nan 8.360 nan 0.000 0.477 328 A N -0.065 122.749 122.820 -0.010 0.000 2.218 328 A HA 0.264 4.623 4.320 0.066 0.000 0.209 328 A C 1.758 179.275 177.584 -0.112 0.000 1.168 328 A CA 0.871 52.880 52.037 -0.047 0.000 0.804 328 A CB 0.034 18.989 19.000 -0.074 0.000 0.834 328 A HN 0.321 nan 8.150 nan 0.000 0.482 329 G N -0.344 108.303 108.800 -0.255 0.000 2.157 329 G HA2 -0.203 3.797 3.960 0.066 0.000 0.248 329 G HA3 -0.203 3.797 3.960 0.066 0.000 0.248 329 G C -0.203 174.198 174.900 -0.831 0.000 0.979 329 G CA 0.253 44.878 45.100 -0.791 0.000 0.650 329 G HN 0.443 nan 8.290 nan 0.000 0.529 330 D N 0.978 121.170 120.400 -0.347 0.000 2.845 330 D HA 0.282 4.962 4.640 0.066 0.000 0.235 330 D C 0.791 177.042 176.300 -0.080 0.000 1.158 330 D CA -0.179 53.714 54.000 -0.177 0.000 0.990 330 D CB -0.697 40.094 40.800 -0.014 0.000 1.094 330 D HN 0.438 nan 8.370 nan 0.000 0.486 331 F N 1.316 121.268 119.950 0.003 0.000 2.608 331 F HA 0.078 4.645 4.527 0.067 0.000 0.380 331 F C -1.368 174.401 175.800 -0.052 0.000 1.083 331 F CA -1.881 56.112 58.000 -0.012 0.000 1.266 331 F CB -0.013 38.990 39.000 0.004 0.000 1.076 331 F HN -0.097 nan 8.300 nan 0.000 0.574 332 P HA 0.020 nan 4.420 nan 0.000 0.262 332 P C -1.060 176.174 177.300 -0.110 0.000 1.199 332 P CA 0.412 63.490 63.100 -0.037 0.000 0.763 332 P CB 0.420 32.190 31.700 0.117 0.000 0.790 333 E N 2.530 122.526 120.200 -0.340 0.000 2.238 333 E HA 0.468 4.857 4.350 0.066 0.000 0.267 333 E C -1.017 175.273 176.600 -0.518 0.000 0.887 333 E CA -0.594 55.666 56.400 -0.233 0.000 0.769 333 E CB 1.441 31.102 29.700 -0.066 0.000 1.187 333 E HN 0.379 nan 8.360 nan 0.000 0.416 334 Y N 0.289 120.659 120.300 0.116 0.000 2.492 334 Y HA 0.230 4.820 4.550 0.067 0.000 0.346 334 Y C -0.282 175.855 175.900 0.395 0.000 0.997 334 Y CA -0.973 57.270 58.100 0.239 0.000 1.025 334 Y CB 1.965 40.516 38.460 0.152 0.000 1.263 334 Y HN 0.461 nan 8.280 nan 0.000 0.454 335 E N 3.026 123.568 120.200 0.571 0.000 2.146 335 E HA 0.367 4.757 4.350 0.066 0.000 0.282 335 E C -1.365 175.543 176.600 0.514 0.000 0.989 335 E CA -0.931 55.765 56.400 0.493 0.000 0.799 335 E CB 0.957 30.877 29.700 0.368 0.000 1.088 335 E HN 0.610 nan 8.360 nan 0.000 0.397 336 L N 4.335 125.791 121.223 0.388 0.000 2.416 336 L HA 0.459 4.839 4.340 0.066 0.000 0.272 336 L C -0.033 176.784 176.870 -0.088 0.000 1.161 336 L CA 0.771 55.527 54.840 -0.140 0.000 0.845 336 L CB 0.988 42.908 42.059 -0.232 0.000 1.119 336 L HN 0.591 nan 8.230 nan 0.000 0.464 337 G N 4.444 113.195 108.800 -0.081 0.000 2.667 337 G HA2 0.541 4.541 3.960 0.066 0.000 0.298 337 G HA3 0.541 4.541 3.960 0.066 0.000 0.298 337 G C -1.647 173.387 174.900 0.223 0.000 1.377 337 G CA -0.513 44.580 45.100 -0.012 0.000 0.964 337 G HN 0.461 nan 8.290 nan 0.000 0.493 338 F N 0.326 120.296 119.950 0.034 0.000 2.507 338 F HA 0.390 4.957 4.527 0.067 0.000 0.325 338 F C 0.416 176.209 175.800 -0.012 0.000 1.116 338 F CA -1.003 57.016 58.000 0.031 0.000 0.930 338 F CB 2.603 41.603 39.000 0.001 0.000 1.146 338 F HN 0.147 nan 8.300 nan 0.000 0.447 339 Q N 4.211 124.129 119.800 0.196 0.000 2.294 339 Q HA 0.456 4.835 4.340 0.066 0.000 0.257 339 Q C -1.057 174.988 176.000 0.075 0.000 0.955 339 Q CA -0.348 55.517 55.803 0.103 0.000 0.936 339 Q CB 1.780 30.583 28.738 0.109 0.000 1.188 339 Q HN 0.516 nan 8.270 nan 0.000 0.420 340 L N 4.631 125.907 121.223 0.088 0.000 2.313 340 L HA 0.575 4.955 4.340 0.066 0.000 0.283 340 L C -0.563 176.366 176.870 0.098 0.000 1.013 340 L CA -0.542 54.339 54.840 0.068 0.000 0.816 340 L CB 1.216 43.322 42.059 0.078 0.000 1.236 340 L HN 0.506 nan 8.230 nan 0.000 0.419 341 I N 4.558 125.204 120.570 0.126 0.000 2.418 341 I HA 0.375 4.585 4.170 0.066 0.000 0.287 341 I C -2.246 173.986 176.117 0.192 0.000 1.008 341 I CA -2.102 59.314 61.300 0.193 0.000 1.104 341 I CB 2.256 40.405 38.000 0.247 0.000 1.264 341 I HN 0.284 nan 8.210 nan 0.000 0.438 342 P HA 0.040 nan 4.420 nan 0.000 0.270 342 P C 0.581 177.949 177.300 0.114 0.000 1.223 342 P CA -0.101 63.037 63.100 0.062 0.000 0.785 342 P CB 0.913 32.641 31.700 0.046 0.000 0.923 343 E N 1.730 121.916 120.200 -0.023 0.000 2.118 343 E HA -0.248 4.142 4.350 0.066 0.000 0.195 343 E C 1.446 178.142 176.600 0.161 0.000 0.992 343 E CA 1.154 57.542 56.400 -0.019 0.000 0.804 343 E CB -0.048 29.565 29.700 -0.145 0.000 0.741 343 E HN 0.484 nan 8.360 nan 0.000 0.458 344 E N 0.202 120.465 120.200 0.105 0.000 2.472 344 E HA -0.181 4.209 4.350 0.066 0.000 0.200 344 E C 0.348 177.019 176.600 0.118 0.000 1.046 344 E CA 0.898 57.367 56.400 0.114 0.000 0.871 344 E CB 0.041 29.782 29.700 0.068 0.000 0.806 344 E HN 0.254 nan 8.360 nan 0.000 0.533 345 D N 1.128 121.600 120.400 0.119 0.000 2.368 345 D HA 0.000 4.680 4.640 0.066 0.000 0.218 345 D C 1.334 177.664 176.300 0.050 0.000 1.112 345 D CA 0.028 54.065 54.000 0.061 0.000 0.834 345 D CB 0.198 41.034 40.800 0.060 0.000 0.953 345 D HN 0.419 nan 8.370 nan 0.000 0.505 346 E N -0.258 119.971 120.200 0.048 0.000 2.130 346 E HA -0.189 4.201 4.350 0.066 0.000 0.196 346 E C 0.494 176.817 176.600 -0.461 0.000 0.998 346 E CA 1.082 57.316 56.400 -0.277 0.000 0.806 346 E CB 0.034 29.495 29.700 -0.398 0.000 0.738 346 E HN 0.255 nan 8.360 nan 0.000 0.459 347 F N -0.487 119.452 119.950 -0.019 0.000 2.654 347 F HA 0.290 4.856 4.527 0.066 0.000 0.303 347 F C 1.426 177.145 175.800 -0.135 0.000 1.099 347 F CA -0.326 57.642 58.000 -0.055 0.000 1.270 347 F CB 0.637 39.618 39.000 -0.031 0.000 1.024 347 F HN -0.183 nan 8.300 nan 0.000 0.548 348 K N 0.021 120.341 120.400 -0.132 0.000 2.459 348 K HA 0.085 4.445 4.320 0.066 0.000 0.193 348 K C -0.147 176.061 176.600 -0.654 0.000 1.030 348 K CA 0.483 56.537 56.287 -0.387 0.000 1.026 348 K CB 0.164 32.386 32.500 -0.463 0.000 0.809 348 K HN 0.135 nan 8.250 nan 0.000 0.504 349 F N 0.464 120.251 119.950 -0.272 0.000 2.518 349 F HA 0.083 4.650 4.527 0.066 0.000 0.338 349 F C 1.224 176.803 175.800 -0.368 0.000 1.065 349 F CA -1.186 56.548 58.000 -0.443 0.000 1.012 349 F CB 0.623 38.975 39.000 -1.081 0.000 1.297 349 F HN -0.038 nan 8.300 nan 0.000 0.489 350 D N -0.584 119.792 120.400 -0.039 0.000 2.328 350 D HA 0.052 4.731 4.640 0.066 0.000 0.226 350 D C -0.393 175.984 176.300 0.129 0.000 1.066 350 D CA 0.144 54.182 54.000 0.064 0.000 0.861 350 D CB -0.825 40.048 40.800 0.123 0.000 0.912 350 D HN 0.241 nan 8.370 nan 0.000 0.521 351 F N -1.546 118.486 119.950 0.136 0.000 2.618 351 F HA 0.547 5.113 4.527 0.065 0.000 0.332 351 F C -0.222 175.569 175.800 -0.016 0.000 1.061 351 F CA -1.751 56.252 58.000 0.006 0.000 0.974 351 F CB 0.828 39.786 39.000 -0.070 0.000 1.310 351 F HN -0.327 nan 8.300 nan 0.000 0.491 352 D N 1.534 121.957 120.400 0.037 0.000 2.277 352 D HA 0.204 4.884 4.640 0.066 0.000 0.249 352 D C 1.041 177.290 176.300 -0.085 0.000 1.134 352 D CA -0.116 53.850 54.000 -0.058 0.000 0.863 352 D CB 1.550 42.337 40.800 -0.021 0.000 1.143 352 D HN 0.743 nan 8.370 nan 0.000 0.458 353 L N 3.372 124.483 121.223 -0.186 0.000 2.187 353 L HA -0.168 4.212 4.340 0.066 0.000 0.213 353 L C 1.959 178.707 176.870 -0.202 0.000 1.100 353 L CA 0.871 55.583 54.840 -0.214 0.000 0.765 353 L CB -0.069 41.720 42.059 -0.449 0.000 0.904 353 L HN 0.491 nan 8.230 nan 0.000 0.437 354 L N -1.008 120.116 121.223 -0.166 0.000 2.592 354 L HA 0.061 4.441 4.340 0.066 0.000 0.227 354 L C 0.391 177.212 176.870 -0.082 0.000 1.127 354 L CA -0.188 54.621 54.840 -0.051 0.000 0.884 354 L CB -0.243 41.886 42.059 0.117 0.000 1.065 354 L HN 0.098 nan 8.230 nan 0.000 0.457 355 D N 1.849 121.968 120.400 -0.469 0.000 2.347 355 D HA 0.121 4.801 4.640 0.066 0.000 0.235 355 D C -1.650 174.427 176.300 -0.372 0.000 1.149 355 D CA -2.243 51.203 54.000 -0.924 0.000 0.850 355 D CB 1.613 41.584 40.800 -1.382 0.000 1.061 355 D HN -0.072 nan 8.370 nan 0.000 0.487 356 P HA -0.008 nan 4.420 nan 0.000 0.249 356 P C 0.874 178.084 177.300 -0.150 0.000 1.229 356 P CA 0.430 63.468 63.100 -0.102 0.000 0.788 356 P CB -0.062 31.671 31.700 0.055 0.000 1.072 357 T N -3.984 110.470 114.554 -0.166 0.000 3.148 357 T HA 0.110 4.500 4.350 0.066 0.000 0.253 357 T C 0.753 175.355 174.700 -0.163 0.000 1.134 357 T CA 0.114 62.118 62.100 -0.159 0.000 1.051 357 T CB -0.307 68.510 68.868 -0.084 0.000 0.959 357 T HN -0.129 nan 8.240 nan 0.000 0.525 358 K N 1.974 122.188 120.400 -0.310 0.000 2.221 358 K HA 0.564 4.923 4.320 0.066 0.000 0.258 358 K C -0.335 176.081 176.600 -0.308 0.000 0.944 358 K CA -0.894 55.086 56.287 -0.512 0.000 0.823 358 K CB 2.133 34.195 32.500 -0.729 0.000 1.113 358 K HN 0.289 nan 8.250 nan 0.000 0.431 359 L N -0.281 120.890 121.223 -0.086 0.000 2.387 359 L HA 0.643 5.023 4.340 0.066 0.000 0.266 359 L C 0.014 176.696 176.870 -0.314 0.000 1.059 359 L CA -0.503 54.247 54.840 -0.150 0.000 0.801 359 L CB 0.295 42.346 42.059 -0.014 0.000 1.223 359 L HN 0.435 nan 8.230 nan 0.000 0.456 360 I N 1.499 121.969 120.570 -0.167 0.000 2.312 360 I HA 0.374 4.583 4.170 0.066 0.000 0.290 360 I C -2.115 173.995 176.117 -0.011 0.000 1.008 360 I CA -1.666 59.569 61.300 -0.107 0.000 1.226 360 I CB 1.261 39.232 38.000 -0.048 0.000 1.371 360 I HN 0.449 nan 8.210 nan 0.000 0.468 361 P HA 0.081 nan 4.420 nan 0.000 0.271 361 P C 0.232 177.587 177.300 0.090 0.000 1.216 361 P CA -0.080 63.050 63.100 0.050 0.000 0.771 361 P CB 0.663 32.388 31.700 0.041 0.000 0.864 362 E N 1.775 122.040 120.200 0.109 0.000 2.204 362 E HA -0.204 4.186 4.350 0.066 0.000 0.195 362 E C 1.402 178.052 176.600 0.083 0.000 0.990 362 E CA 0.840 57.295 56.400 0.092 0.000 0.821 362 E CB -0.042 29.714 29.700 0.093 0.000 0.750 362 E HN 0.518 nan 8.360 nan 0.000 0.477 363 E N 0.426 120.675 120.200 0.082 0.000 2.209 363 E HA -0.179 4.211 4.350 0.066 0.000 0.196 363 E C 2.069 178.731 176.600 0.103 0.000 0.993 363 E CA 0.849 57.297 56.400 0.079 0.000 0.819 363 E CB 0.011 29.751 29.700 0.067 0.000 0.745 363 E HN 0.391 nan 8.360 nan 0.000 0.477 364 L N -0.341 120.965 121.223 0.138 0.000 2.168 364 L HA 0.046 4.426 4.340 0.066 0.000 0.203 364 L C 0.720 177.713 176.870 0.205 0.000 1.078 364 L CA 0.441 55.406 54.840 0.207 0.000 0.780 364 L CB 0.397 42.650 42.059 0.323 0.000 0.939 364 L HN -0.193 nan 8.230 nan 0.000 0.451 365 V N 1.682 121.689 119.914 0.155 0.000 2.398 365 V HA 0.303 4.462 4.120 0.066 0.000 0.282 365 V C -2.349 173.792 176.094 0.079 0.000 1.014 365 V CA -1.406 60.972 62.300 0.131 0.000 0.838 365 V CB 1.551 33.447 31.823 0.121 0.000 1.018 365 V HN -0.021 nan 8.190 nan 0.000 0.432 366 P HA 0.169 nan 4.420 nan 0.000 0.271 366 P C -0.248 177.053 177.300 0.002 0.000 1.218 366 P CA 0.024 63.146 63.100 0.035 0.000 0.780 366 P CB 1.341 33.066 31.700 0.041 0.000 0.901 367 V N 3.454 123.336 119.914 -0.054 0.000 2.470 367 V HA 0.057 4.216 4.120 0.066 0.000 0.276 367 V C 0.938 177.022 176.094 -0.016 0.000 1.040 367 V CA 0.151 62.388 62.300 -0.106 0.000 1.008 367 V CB 0.112 31.787 31.823 -0.247 0.000 0.990 367 V HN 0.575 nan 8.190 nan 0.000 0.477 368 Q N 6.241 126.053 119.800 0.021 0.000 2.274 368 Q HA 0.355 4.734 4.340 0.066 0.000 0.256 368 Q C 0.316 176.314 176.000 -0.003 0.000 0.927 368 Q CA -0.834 54.984 55.803 0.025 0.000 0.939 368 Q CB 0.833 29.600 28.738 0.048 0.000 1.201 368 Q HN 0.831 nan 8.270 nan 0.000 0.426 369 R N 2.165 122.689 120.500 0.040 0.000 2.537 369 R HA 0.128 4.507 4.340 0.066 0.000 0.280 369 R C -0.554 175.800 176.300 0.090 0.000 1.058 369 R CA -0.336 55.833 56.100 0.115 0.000 1.057 369 R CB 0.740 31.161 30.300 0.201 0.000 0.973 369 R HN 0.494 nan 8.270 nan 0.000 0.438 370 V N 1.822 121.705 119.914 -0.052 0.000 3.250 370 V HA 0.347 4.507 4.120 0.066 0.000 0.240 370 V C 0.827 176.691 176.094 -0.384 0.000 1.275 370 V CA 1.015 63.159 62.300 -0.259 0.000 1.206 370 V CB 0.791 32.183 31.823 -0.718 0.000 0.976 370 V HN 1.079 nan 8.190 nan 0.000 0.467 371 G N -0.226 108.241 108.800 -0.555 0.000 2.340 371 G HA2 0.462 4.462 3.960 0.066 0.000 0.299 371 G HA3 0.462 4.462 3.960 0.066 0.000 0.299 371 G C -1.846 172.708 174.900 -0.577 0.000 1.291 371 G CA -0.516 43.891 45.100 -1.155 0.000 0.841 371 G HN 0.071 nan 8.290 nan 0.000 0.500 372 K N -0.488 119.600 120.400 -0.520 0.000 2.371 372 K HA 0.747 5.107 4.320 0.066 0.000 0.251 372 K C -0.903 175.748 176.600 0.086 0.000 0.934 372 K CA -0.799 55.479 56.287 -0.015 0.000 0.798 372 K CB 2.054 34.592 32.500 0.063 0.000 1.204 372 K HN 0.617 nan 8.250 nan 0.000 0.427 373 M N 4.549 124.320 119.600 0.286 0.000 2.321 373 M HA 0.415 4.935 4.480 0.066 0.000 0.315 373 M C -1.794 174.497 176.300 -0.015 0.000 1.052 373 M CA -0.798 54.611 55.300 0.182 0.000 0.936 373 M CB 1.818 34.560 32.600 0.237 0.000 1.639 373 M HN 0.362 nan 8.290 nan 0.000 0.433 374 V N 6.364 126.097 119.914 -0.301 0.000 2.443 374 V HA 0.409 4.568 4.120 0.066 0.000 0.293 374 V C -0.542 175.401 176.094 -0.252 0.000 1.021 374 V CA -0.671 61.452 62.300 -0.295 0.000 0.848 374 V CB 1.642 33.162 31.823 -0.505 0.000 0.998 374 V HN 0.811 nan 8.190 nan 0.000 0.424 375 L N 5.772 126.946 121.223 -0.082 0.000 2.261 375 L HA 0.477 4.857 4.340 0.066 0.000 0.289 375 L C 0.584 177.363 176.870 -0.152 0.000 1.059 375 L CA -0.223 54.571 54.840 -0.077 0.000 0.816 375 L CB 0.816 42.881 42.059 0.010 0.000 1.191 375 L HN 0.866 nan 8.230 nan 0.000 0.431 376 N N 2.711 121.236 118.700 -0.291 0.000 2.184 376 N HA 0.140 4.919 4.740 0.066 0.000 0.234 376 N C -0.070 175.255 175.510 -0.309 0.000 1.282 376 N CA -0.396 52.244 53.050 -0.682 0.000 0.877 376 N CB 0.788 38.563 38.487 -1.188 0.000 1.184 376 N HN 0.469 nan 8.380 nan 0.000 0.510 377 R N 0.211 120.635 120.500 -0.127 0.000 2.535 377 R HA 0.311 4.691 4.340 0.066 0.000 0.274 377 R C -1.251 174.998 176.300 -0.086 0.000 1.090 377 R CA -0.570 55.474 56.100 -0.094 0.000 0.930 377 R CB 1.357 31.607 30.300 -0.083 0.000 1.223 377 R HN 0.057 nan 8.270 nan 0.000 0.441 378 N N 3.156 121.688 118.700 -0.280 0.000 2.467 378 N HA 0.265 5.045 4.740 0.066 0.000 0.262 378 N C -2.243 173.188 175.510 -0.132 0.000 1.234 378 N CA -1.140 51.597 53.050 -0.521 0.000 0.952 378 N CB 0.575 38.064 38.487 -1.662 0.000 1.158 378 N HN 0.316 nan 8.380 nan 0.000 0.463 379 P HA 0.117 nan 4.420 nan 0.000 0.275 379 P C 0.114 177.587 177.300 0.289 0.000 1.270 379 P CA -0.098 63.183 63.100 0.302 0.000 0.791 379 P CB 1.006 32.933 31.700 0.379 0.000 1.089 380 D N -1.356 119.195 120.400 0.251 0.000 2.259 380 D HA -0.015 4.665 4.640 0.066 0.000 0.216 380 D C 0.435 176.912 176.300 0.296 0.000 0.961 380 D CA 1.316 55.465 54.000 0.249 0.000 0.878 380 D CB 0.154 41.038 40.800 0.141 0.000 1.009 380 D HN 0.376 nan 8.370 nan 0.000 0.490 381 N N -0.144 118.721 118.700 0.274 0.000 2.461 381 N HA 0.014 4.793 4.740 0.066 0.000 0.284 381 N C 0.015 175.732 175.510 0.346 0.000 1.049 381 N CA -0.325 52.900 53.050 0.291 0.000 0.889 381 N CB 1.509 40.133 38.487 0.228 0.000 1.365 381 N HN -0.156 nan 8.380 nan 0.000 0.499 382 F N 4.292 124.395 119.950 0.254 0.000 2.095 382 F HA -0.179 4.388 4.527 0.067 0.000 0.298 382 F C 1.658 177.588 175.800 0.216 0.000 1.104 382 F CA 1.503 59.654 58.000 0.252 0.000 1.232 382 F CB -0.086 39.038 39.000 0.207 0.000 0.987 382 F HN 0.600 nan 8.300 nan 0.000 0.475 383 F N 0.790 120.988 119.950 0.414 0.000 2.069 383 F HA -0.178 4.389 4.527 0.066 0.000 0.298 383 F C 2.336 178.204 175.800 0.113 0.000 1.113 383 F CA 1.921 60.081 58.000 0.268 0.000 1.214 383 F CB -0.927 38.197 39.000 0.207 0.000 0.978 383 F HN -0.009 nan 8.300 nan 0.000 0.474 384 A N -0.401 122.539 122.820 0.200 0.000 1.898 384 A HA -0.152 4.208 4.320 0.066 0.000 0.216 384 A C 2.071 179.589 177.584 -0.110 0.000 1.181 384 A CA 1.971 54.044 52.037 0.060 0.000 0.620 384 A CB -0.671 18.418 19.000 0.148 0.000 0.819 384 A HN 0.593 nan 8.150 nan 0.000 0.442 385 E N -1.265 118.886 120.200 -0.081 0.000 2.132 385 E HA -0.063 4.326 4.350 0.066 0.000 0.193 385 E C 1.967 178.482 176.600 -0.142 0.000 0.951 385 E CA 0.453 56.740 56.400 -0.187 0.000 0.843 385 E CB -0.127 29.501 29.700 -0.121 0.000 0.807 385 E HN 0.561 nan 8.360 nan 0.000 0.467 386 N N 1.419 120.034 118.700 -0.142 0.000 2.124 386 N HA -0.170 4.609 4.740 0.066 0.000 0.188 386 N C 1.842 177.197 175.510 -0.259 0.000 1.045 386 N CA 1.431 54.342 53.050 -0.233 0.000 0.846 386 N CB 0.053 37.978 38.487 -0.936 0.000 1.020 386 N HN -0.051 nan 8.380 nan 0.000 0.432 387 E N 0.730 120.714 120.200 -0.361 0.000 2.110 387 E HA -0.084 4.305 4.350 0.066 0.000 0.193 387 E C 1.601 178.020 176.600 -0.302 0.000 0.988 387 E CA 1.404 57.659 56.400 -0.241 0.000 0.804 387 E CB -0.139 29.441 29.700 -0.200 0.000 0.745 387 E HN 0.493 nan 8.360 nan 0.000 0.458 388 Q N -0.248 119.305 119.800 -0.412 0.000 2.403 388 Q HA 0.259 4.639 4.340 0.066 0.000 0.203 388 Q C -0.021 175.869 176.000 -0.183 0.000 0.932 388 Q CA 0.194 55.808 55.803 -0.315 0.000 0.945 388 Q CB 0.515 29.043 28.738 -0.351 0.000 1.045 388 Q HN 0.223 nan 8.270 nan 0.000 0.511 389 A N 1.210 123.950 122.820 -0.132 0.000 2.511 389 A HA 0.438 4.797 4.320 0.066 0.000 0.242 389 A C -0.116 177.384 177.584 -0.141 0.000 1.069 389 A CA 0.199 52.147 52.037 -0.148 0.000 0.763 389 A CB 0.226 19.218 19.000 -0.013 0.000 1.001 389 A HN 0.276 nan 8.150 nan 0.000 0.498 390 A N 2.464 125.137 122.820 -0.244 0.000 2.311 390 A HA 0.716 5.075 4.320 0.066 0.000 0.306 390 A C -0.763 176.718 177.584 -0.173 0.000 1.189 390 A CA -0.409 51.554 52.037 -0.123 0.000 0.791 390 A CB 0.319 19.239 19.000 -0.133 0.000 1.172 390 A HN 0.653 nan 8.150 nan 0.000 0.481 391 F N 0.830 120.792 119.950 0.020 0.000 2.492 391 F HA 0.675 5.241 4.527 0.066 0.000 0.327 391 F C 0.279 176.062 175.800 -0.029 0.000 1.079 391 F CA -0.140 57.846 58.000 -0.023 0.000 0.967 391 F CB 2.130 41.057 39.000 -0.121 0.000 1.169 391 F HN 0.765 nan 8.300 nan 0.000 0.472 392 H N 2.894 121.845 119.070 -0.198 0.000 3.137 392 H HA 0.258 4.859 4.556 0.075 0.000 0.336 392 H C -2.528 172.424 175.328 -0.625 0.000 1.055 392 H CA -1.550 54.143 56.048 -0.592 0.000 1.349 392 H CB 2.683 32.056 29.762 -0.649 0.000 1.939 392 H HN 0.192 nan 8.280 nan 0.000 0.487 393 P HA 0.039 nan 4.420 nan 0.000 0.237 393 P C 1.093 178.294 177.300 -0.164 0.000 1.178 393 P CA 1.140 63.928 63.100 -0.519 0.000 0.766 393 P CB 0.188 31.624 31.700 -0.439 0.000 0.876 394 G N -0.977 107.565 108.800 -0.431 0.000 2.744 394 G HA2 -0.134 3.865 3.960 0.066 0.000 0.211 394 G HA3 -0.134 3.865 3.960 0.066 0.000 0.211 394 G C 0.420 175.567 174.900 0.412 0.000 1.143 394 G CA -0.034 45.186 45.100 0.200 0.000 0.788 394 G HN 0.431 nan 8.290 nan 0.000 0.534 395 H N 0.766 119.981 119.070 0.242 0.000 3.092 395 H HA 0.335 4.927 4.556 0.061 0.000 0.263 395 H C 0.561 175.998 175.328 0.183 0.000 1.611 395 H CA -0.763 55.379 56.048 0.157 0.000 1.457 395 H CB -0.075 29.739 29.762 0.087 0.000 1.731 395 H HN 0.381 nan 8.280 nan 0.000 0.532 396 I N -0.374 120.326 120.570 0.216 0.000 3.217 396 I HA 0.695 4.904 4.170 0.066 0.000 0.308 396 I C -0.152 175.945 176.117 -0.033 0.000 1.091 396 I CA -1.395 59.952 61.300 0.078 0.000 1.013 396 I CB 1.847 39.785 38.000 -0.103 0.000 1.250 396 I HN 0.116 nan 8.210 nan 0.000 0.496 397 V N -2.492 117.388 119.914 -0.057 0.000 3.130 397 V HA 0.673 4.832 4.120 0.066 0.000 0.310 397 V C -2.869 173.323 176.094 0.164 0.000 1.158 397 V CA -2.522 59.806 62.300 0.046 0.000 1.029 397 V CB 1.045 32.879 31.823 0.018 0.000 1.057 397 V HN 0.612 nan 8.190 nan 0.000 0.436 398 P HA 0.390 nan 4.420 nan 0.000 0.265 398 P C 0.897 178.200 177.300 0.005 0.000 1.193 398 P CA 2.051 65.232 63.100 0.135 0.000 0.765 398 P CB 0.788 32.544 31.700 0.093 0.000 0.823 399 G N 1.770 110.527 108.800 -0.072 0.000 2.218 399 G HA2 -0.166 3.834 3.960 0.066 0.000 0.216 399 G HA3 -0.166 3.834 3.960 0.066 0.000 0.216 399 G C -0.231 174.584 174.900 -0.141 0.000 0.994 399 G CA -0.430 44.606 45.100 -0.106 0.000 0.637 399 G HN 0.441 nan 8.290 nan 0.000 0.505 400 L N 0.129 121.282 121.223 -0.116 0.000 2.323 400 L HA 0.898 5.278 4.340 0.066 0.000 0.265 400 L C -0.464 176.346 176.870 -0.100 0.000 1.012 400 L CA -1.029 53.718 54.840 -0.155 0.000 0.820 400 L CB 2.067 43.957 42.059 -0.281 0.000 1.334 400 L HN 0.118 nan 8.230 nan 0.000 0.427 401 D N -0.557 119.768 120.400 -0.125 0.000 2.677 401 D HA 0.470 5.150 4.640 0.066 0.000 0.298 401 D C -1.212 174.993 176.300 -0.157 0.000 1.250 401 D CA -0.347 53.530 54.000 -0.205 0.000 0.888 401 D CB 1.871 42.625 40.800 -0.077 0.000 1.397 401 D HN 0.112 nan 8.370 nan 0.000 0.461 402 F N -0.253 119.811 119.950 0.190 0.000 2.321 402 F HA 0.525 5.092 4.527 0.067 0.000 0.318 402 F C 1.449 177.253 175.800 0.006 0.000 1.129 402 F CA -0.277 57.751 58.000 0.046 0.000 1.074 402 F CB 1.202 40.211 39.000 0.015 0.000 1.432 402 F HN 0.213 nan 8.300 nan 0.000 0.502 403 T N -3.241 111.395 114.554 0.137 0.000 2.742 403 T HA 0.316 4.705 4.350 0.066 0.000 0.282 403 T C -0.130 174.601 174.700 0.052 0.000 1.025 403 T CA -0.969 61.199 62.100 0.114 0.000 1.020 403 T CB 1.190 70.106 68.868 0.080 0.000 1.317 403 T HN 0.345 nan 8.240 nan 0.000 0.538 404 N N 1.187 119.922 118.700 0.058 0.000 2.370 404 N HA 0.085 4.865 4.740 0.066 0.000 0.198 404 N C -0.056 175.457 175.510 0.004 0.000 1.156 404 N CA -0.006 53.059 53.050 0.026 0.000 0.839 404 N CB -0.380 38.139 38.487 0.053 0.000 0.989 404 N HN 0.681 nan 8.380 nan 0.000 0.468 405 D N 2.158 122.545 120.400 -0.023 0.000 2.662 405 D HA -0.088 4.592 4.640 0.066 0.000 0.233 405 D C -1.485 174.799 176.300 -0.028 0.000 1.129 405 D CA -0.734 53.269 54.000 0.005 0.000 0.851 405 D CB 1.251 41.992 40.800 -0.098 0.000 1.152 405 D HN 0.160 nan 8.370 nan 0.000 0.507 406 P HA -0.041 nan 4.420 nan 0.000 0.245 406 P C 1.411 178.721 177.300 0.017 0.000 1.206 406 P CA -0.049 63.060 63.100 0.015 0.000 0.781 406 P CB 0.510 32.217 31.700 0.011 0.000 0.994 407 L N -0.138 121.107 121.223 0.038 0.000 2.084 407 L HA 0.037 4.416 4.340 0.066 0.000 0.202 407 L C 2.316 179.089 176.870 -0.162 0.000 1.074 407 L CA 1.189 56.045 54.840 0.026 0.000 0.757 407 L CB -1.533 40.634 42.059 0.180 0.000 0.918 407 L HN -0.176 nan 8.230 nan 0.000 0.444 408 L N -0.434 120.506 121.223 -0.471 0.000 2.043 408 L HA -0.246 4.134 4.340 0.066 0.000 0.212 408 L C 2.466 179.076 176.870 -0.434 0.000 1.075 408 L CA 1.830 56.192 54.840 -0.796 0.000 0.752 408 L CB -0.920 40.463 42.059 -1.126 0.000 0.891 408 L HN 0.385 nan 8.230 nan 0.000 0.432 409 Q N -0.238 119.383 119.800 -0.298 0.000 2.077 409 Q HA -0.176 4.203 4.340 0.066 0.000 0.206 409 Q C 2.104 178.020 176.000 -0.141 0.000 0.989 409 Q CA 1.912 57.584 55.803 -0.217 0.000 0.853 409 Q CB -0.854 27.808 28.738 -0.127 0.000 0.907 409 Q HN 0.704 nan 8.270 nan 0.000 0.418 410 G N 0.405 109.155 108.800 -0.083 0.000 2.421 410 G HA2 -0.203 3.797 3.960 0.066 0.000 0.217 410 G HA3 -0.203 3.797 3.960 0.066 0.000 0.217 410 G C 1.506 176.417 174.900 0.018 0.000 1.143 410 G CA 0.162 45.259 45.100 -0.004 0.000 0.784 410 G HN 0.242 nan 8.290 nan 0.000 0.541 411 R N -0.070 120.390 120.500 -0.068 0.000 2.105 411 R HA -0.011 4.369 4.340 0.066 0.000 0.239 411 R C 2.491 178.866 176.300 0.125 0.000 1.135 411 R CA 0.985 57.104 56.100 0.031 0.000 0.967 411 R CB -0.485 29.789 30.300 -0.045 0.000 0.861 411 R HN 0.354 nan 8.270 nan 0.000 0.442 412 L N -0.443 120.750 121.223 -0.052 0.000 2.127 412 L HA -0.205 4.175 4.340 0.066 0.000 0.211 412 L C 2.288 179.295 176.870 0.228 0.000 1.089 412 L CA 1.118 55.957 54.840 -0.003 0.000 0.757 412 L CB -0.497 41.407 42.059 -0.258 0.000 0.899 412 L HN 0.159 nan 8.230 nan 0.000 0.434 413 F N 0.164 120.147 119.950 0.055 0.000 2.163 413 F HA -0.180 4.369 4.527 0.036 0.000 0.297 413 F C 2.758 178.599 175.800 0.069 0.000 1.094 413 F CA 1.580 59.609 58.000 0.047 0.000 1.290 413 F CB -0.205 38.801 39.000 0.009 0.000 1.017 413 F HN -0.043 nan 8.300 nan 0.000 0.483 414 S N -0.826 114.861 115.700 -0.022 0.000 2.371 414 S HA -0.184 4.326 4.470 0.066 0.000 0.224 414 S C 2.028 176.493 174.600 -0.226 0.000 1.029 414 S CA 1.187 59.258 58.200 -0.215 0.000 0.978 414 S CB -0.794 62.312 63.200 -0.156 0.000 0.833 414 S HN 0.523 nan 8.310 nan 0.000 0.466 415 Y N 2.038 122.361 120.300 0.038 0.000 2.421 415 Y HA -0.072 4.515 4.550 0.061 0.000 0.292 415 Y C 2.950 178.588 175.900 -0.436 0.000 1.136 415 Y CA 1.303 59.490 58.100 0.145 0.000 1.255 415 Y CB -0.548 38.887 38.460 1.625 0.000 0.991 415 Y HN 0.512 nan 8.280 nan 0.000 0.552 416 T N -3.092 111.118 114.554 -0.574 0.000 2.939 416 T HA -0.121 4.268 4.350 0.066 0.000 0.254 416 T C 1.529 176.028 174.700 -0.335 0.000 1.041 416 T CA 1.056 62.890 62.100 -0.444 0.000 1.142 416 T CB -0.494 68.159 68.868 -0.358 0.000 0.874 416 T HN 0.220 nan 8.240 nan 0.000 0.452 417 D N 1.538 121.674 120.400 -0.441 0.000 2.103 417 D HA -0.161 4.519 4.640 0.066 0.000 0.190 417 D C 2.301 178.441 176.300 -0.266 0.000 0.997 417 D CA 2.081 55.834 54.000 -0.412 0.000 0.833 417 D CB -0.895 39.462 40.800 -0.738 0.000 0.961 417 D HN 0.368 nan 8.370 nan 0.000 0.447 418 T N -0.980 113.408 114.554 -0.277 0.000 2.803 418 T HA -0.164 4.226 4.350 0.066 0.000 0.269 418 T C 1.666 176.245 174.700 -0.203 0.000 1.052 418 T CA 1.382 63.363 62.100 -0.199 0.000 1.136 418 T CB -0.263 68.486 68.868 -0.199 0.000 0.864 418 T HN 0.146 nan 8.240 nan 0.000 0.467 419 Q N 0.722 120.330 119.800 -0.320 0.000 2.234 419 Q HA -0.043 4.337 4.340 0.066 0.000 0.206 419 Q C 2.248 178.140 176.000 -0.179 0.000 0.980 419 Q CA 0.841 56.401 55.803 -0.405 0.000 0.869 419 Q CB -0.537 27.556 28.738 -1.075 0.000 0.912 419 Q HN 0.513 nan 8.270 nan 0.000 0.436 420 I N 0.842 121.357 120.570 -0.090 0.000 2.286 420 I HA -0.200 4.010 4.170 0.066 0.000 0.248 420 I C 2.286 178.415 176.117 0.020 0.000 1.115 420 I CA 1.708 63.018 61.300 0.016 0.000 1.392 420 I CB -1.305 36.707 38.000 0.020 0.000 1.065 420 I HN 0.214 nan 8.210 nan 0.000 0.418 421 S N 0.224 115.918 115.700 -0.009 0.000 2.427 421 S HA -0.060 4.450 4.470 0.066 0.000 0.224 421 S C 2.164 176.767 174.600 0.006 0.000 1.047 421 S CA 0.125 58.331 58.200 0.011 0.000 0.953 421 S CB -0.299 62.906 63.200 0.008 0.000 0.824 421 S HN 0.309 nan 8.310 nan 0.000 0.502 422 R N 0.944 121.426 120.500 -0.030 0.000 2.066 422 R HA 0.176 4.555 4.340 0.066 0.000 0.232 422 R C 1.427 177.715 176.300 -0.020 0.000 1.131 422 R CA 1.423 57.505 56.100 -0.030 0.000 0.955 422 R CB -0.225 30.033 30.300 -0.069 0.000 0.851 422 R HN 0.447 nan 8.270 nan 0.000 0.432 423 L N -0.846 120.354 121.223 -0.037 0.000 2.857 423 L HA 0.340 4.719 4.340 0.066 0.000 0.249 423 L C 0.786 177.689 176.870 0.054 0.000 1.172 423 L CA 0.301 55.135 54.840 -0.011 0.000 0.980 423 L CB 1.176 43.217 42.059 -0.030 0.000 1.299 423 L HN 0.595 nan 8.230 nan 0.000 0.535 424 G N 0.013 108.864 108.800 0.085 0.000 2.157 424 G HA2 -0.109 3.890 3.960 0.066 0.000 0.248 424 G HA3 -0.109 3.890 3.960 0.066 0.000 0.248 424 G C 0.443 175.475 174.900 0.220 0.000 0.979 424 G CA -0.005 45.193 45.100 0.164 0.000 0.650 424 G HN 0.785 nan 8.290 nan 0.000 0.529 425 G N -1.570 107.348 108.800 0.197 0.000 2.356 425 G HA2 0.586 4.585 3.960 0.066 0.000 0.288 425 G HA3 0.586 4.585 3.960 0.066 0.000 0.288 425 G C -2.202 172.860 174.900 0.269 0.000 1.302 425 G CA 0.384 45.604 45.100 0.199 0.000 0.887 425 G HN 0.480 nan 8.290 nan 0.000 0.521 426 P HA 0.125 nan 4.420 nan 0.000 0.249 426 P C 0.387 177.703 177.300 0.028 0.000 1.229 426 P CA 0.315 63.521 63.100 0.177 0.000 0.788 426 P CB 0.174 31.934 31.700 0.101 0.000 1.072 427 N N 0.412 119.141 118.700 0.048 0.000 2.322 427 N HA 0.032 4.811 4.740 0.066 0.000 0.216 427 N C 1.195 176.559 175.510 -0.243 0.000 1.144 427 N CA -0.091 52.883 53.050 -0.128 0.000 0.830 427 N CB -0.683 37.766 38.487 -0.063 0.000 1.034 427 N HN 0.272 nan 8.380 nan 0.000 0.484 428 F N 1.406 121.336 119.950 -0.034 0.000 2.236 428 F HA -0.188 4.368 4.527 0.049 0.000 0.302 428 F C 2.272 178.001 175.800 -0.118 0.000 1.073 428 F CA 1.071 59.026 58.000 -0.076 0.000 1.336 428 F CB -0.945 38.032 39.000 -0.037 0.000 1.040 428 F HN 0.194 nan 8.300 nan 0.000 0.507 429 H N 0.376 119.086 119.070 -0.599 0.000 2.545 429 H HA 0.015 4.609 4.556 0.064 0.000 0.282 429 H C 0.976 176.154 175.328 -0.250 0.000 1.020 429 H CA 1.462 57.260 56.048 -0.417 0.000 1.243 429 H CB -0.822 28.554 29.762 -0.644 0.000 1.377 429 H HN 0.554 nan 8.280 nan 0.000 0.581 430 E N 0.868 120.651 120.200 -0.696 0.000 2.447 430 E HA 0.177 4.567 4.350 0.066 0.000 0.195 430 E C 0.381 176.857 176.600 -0.207 0.000 1.028 430 E CA -0.300 55.845 56.400 -0.425 0.000 0.876 430 E CB 0.490 29.943 29.700 -0.410 0.000 0.885 430 E HN 0.425 nan 8.360 nan 0.000 0.500 431 I N 2.573 123.044 120.570 -0.164 0.000 2.683 431 I HA -0.065 4.144 4.170 0.066 0.000 0.286 431 I C -1.565 174.490 176.117 -0.103 0.000 1.175 431 I CA -1.270 59.967 61.300 -0.105 0.000 1.429 431 I CB 0.511 38.463 38.000 -0.079 0.000 1.371 431 I HN -0.199 nan 8.210 nan 0.000 0.569 432 P HA -0.221 nan 4.420 nan 0.000 0.215 432 P C 1.761 178.987 177.300 -0.123 0.000 1.157 432 P CA 1.186 64.227 63.100 -0.098 0.000 0.874 432 P CB 0.166 31.814 31.700 -0.087 0.000 0.790 433 I N -0.459 120.010 120.570 -0.167 0.000 2.335 433 I HA -0.215 3.994 4.170 0.066 0.000 0.251 433 I C 1.301 177.344 176.117 -0.124 0.000 1.129 433 I CA 1.739 62.889 61.300 -0.249 0.000 1.402 433 I CB -0.691 37.046 38.000 -0.440 0.000 1.069 433 I HN -0.088 nan 8.210 nan 0.000 0.424 434 N N 0.629 119.273 118.700 -0.094 0.000 2.422 434 N HA 0.030 4.810 4.740 0.066 0.000 0.181 434 N C 0.265 175.777 175.510 0.004 0.000 1.080 434 N CA 0.213 53.236 53.050 -0.044 0.000 0.893 434 N CB -0.121 38.359 38.487 -0.011 0.000 0.973 434 N HN 0.384 nan 8.380 nan 0.000 0.456 435 R N 1.792 122.294 120.500 0.002 0.000 2.489 435 R HA 0.156 4.535 4.340 0.066 0.000 0.287 435 R C -2.206 174.155 176.300 0.101 0.000 1.053 435 R CA -1.253 54.854 56.100 0.011 0.000 1.036 435 R CB -0.079 30.213 30.300 -0.013 0.000 0.966 435 R HN 0.037 nan 8.270 nan 0.000 0.432 436 P HA -0.043 nan 4.420 nan 0.000 0.269 436 P C 0.673 178.045 177.300 0.120 0.000 1.215 436 P CA 0.061 63.243 63.100 0.136 0.000 0.780 436 P CB 0.640 32.377 31.700 0.061 0.000 0.898 437 T N -1.476 113.162 114.554 0.139 0.000 3.054 437 T HA 0.197 4.586 4.350 0.066 0.000 0.259 437 T C 0.949 175.696 174.700 0.079 0.000 1.092 437 T CA 0.196 62.336 62.100 0.066 0.000 1.121 437 T CB -0.388 68.502 68.868 0.037 0.000 0.912 437 T HN 0.480 nan 8.240 nan 0.000 0.489 438 A N 3.092 125.973 122.820 0.102 0.000 2.425 438 A HA 0.537 4.897 4.320 0.066 0.000 0.242 438 A C -2.163 175.480 177.584 0.098 0.000 1.077 438 A CA -1.333 50.762 52.037 0.096 0.000 0.781 438 A CB -0.440 18.619 19.000 0.098 0.000 1.020 438 A HN 0.295 nan 8.150 nan 0.000 0.494 439 P HA 0.257 nan 4.420 nan 0.000 0.266 439 P C -1.016 176.353 177.300 0.114 0.000 1.195 439 P CA 0.704 63.866 63.100 0.104 0.000 0.768 439 P CB 0.066 31.877 31.700 0.185 0.000 0.838 440 Y N 0.854 121.031 120.300 -0.204 0.000 2.421 440 Y HA 0.684 5.273 4.550 0.066 0.000 0.339 440 Y C -1.358 174.230 175.900 -0.521 0.000 0.996 440 Y CA -0.983 56.988 58.100 -0.214 0.000 1.046 440 Y CB 1.543 39.897 38.460 -0.176 0.000 1.226 440 Y HN 0.430 nan 8.280 nan 0.000 0.445 441 H N 3.665 122.618 119.070 -0.194 0.000 2.947 441 H HA 0.506 5.102 4.556 0.066 0.000 0.354 441 H C -1.193 174.000 175.328 -0.225 0.000 1.085 441 H CA -0.789 55.052 56.048 -0.346 0.000 1.253 441 H CB 1.616 31.220 29.762 -0.264 0.000 1.757 441 H HN 0.900 nan 8.280 nan 0.000 0.523 442 N N 0.407 118.990 118.700 -0.195 0.000 3.449 442 N HA 0.200 4.980 4.740 0.066 0.000 0.312 442 N C -1.114 174.151 175.510 -0.409 0.000 1.557 442 N CA -0.920 51.963 53.050 -0.278 0.000 0.864 442 N CB 0.677 39.163 38.487 -0.002 0.000 1.799 442 N HN 0.294 nan 8.380 nan 0.000 0.554 443 F N -0.400 119.592 119.950 0.070 0.000 2.664 443 F HA 0.367 4.929 4.527 0.059 0.000 0.303 443 F C 0.462 176.304 175.800 0.071 0.000 1.092 443 F CA -0.350 57.685 58.000 0.058 0.000 1.305 443 F CB 0.228 39.255 39.000 0.045 0.000 1.054 443 F HN 0.131 nan 8.300 nan 0.000 0.565 444 Q N 1.686 121.591 119.800 0.175 0.000 2.352 444 Q HA 0.373 4.753 4.340 0.066 0.000 0.260 444 Q C 0.025 176.102 176.000 0.128 0.000 0.976 444 Q CA 0.044 55.930 55.803 0.139 0.000 0.881 444 Q CB 0.987 29.783 28.738 0.096 0.000 1.235 444 Q HN 0.082 nan 8.270 nan 0.000 0.419 445 R N 1.789 122.357 120.500 0.114 0.000 2.774 445 R HA 0.362 4.742 4.340 0.066 0.000 0.272 445 R C -0.648 175.699 176.300 0.079 0.000 1.000 445 R CA -0.608 55.551 56.100 0.098 0.000 0.906 445 R CB 1.315 31.676 30.300 0.100 0.000 1.227 445 R HN 0.724 nan 8.270 nan 0.000 0.468 446 D N -0.208 120.232 120.400 0.066 0.000 3.555 446 D HA -0.169 4.511 4.640 0.066 0.000 0.215 446 D C 0.336 176.663 176.300 0.046 0.000 1.480 446 D CA 1.866 55.894 54.000 0.047 0.000 1.126 446 D CB -1.139 39.686 40.800 0.042 0.000 0.676 446 D HN 0.899 nan 8.370 nan 0.000 0.824 447 G N -1.050 107.770 108.800 0.033 0.000 2.733 447 G HA2 0.177 4.177 3.960 0.066 0.000 0.686 447 G HA3 0.177 4.177 3.960 0.066 0.000 0.686 447 G C -0.220 174.681 174.900 0.000 0.000 1.373 447 G CA 0.133 45.252 45.100 0.030 0.000 0.838 447 G HN 0.807 nan 8.290 nan 0.000 0.588 448 M N 2.247 121.830 119.600 -0.029 0.000 2.252 448 M HA 0.424 4.944 4.480 0.066 0.000 0.333 448 M C 1.355 177.582 176.300 -0.121 0.000 1.111 448 M CA 0.828 56.021 55.300 -0.178 0.000 1.140 448 M CB -0.445 31.983 32.600 -0.286 0.000 1.538 448 M HN 1.180 nan 8.290 nan 0.000 0.448 449 H N 0.457 119.531 119.070 0.007 0.000 2.886 449 H HA -0.156 4.439 4.556 0.064 0.000 0.294 449 H C -0.404 174.915 175.328 -0.015 0.000 1.246 449 H CA 0.691 56.739 56.048 -0.001 0.000 1.142 449 H CB -1.812 27.951 29.762 0.001 0.000 1.358 449 H HN 0.619 nan 8.280 nan 0.000 0.406 450 R N 1.177 121.710 120.500 0.056 0.000 2.316 450 R HA 0.149 4.528 4.340 0.066 0.000 0.314 450 R C 1.277 177.594 176.300 0.027 0.000 1.069 450 R CA -0.110 56.011 56.100 0.036 0.000 0.959 450 R CB 0.361 30.679 30.300 0.029 0.000 0.987 450 R HN 0.115 nan 8.270 nan 0.000 0.446 451 M N 2.509 122.113 119.600 0.007 0.000 2.398 451 M HA 0.233 4.753 4.480 0.066 0.000 0.261 451 M C 0.927 177.228 176.300 0.002 0.000 1.125 451 M CA 1.001 56.301 55.300 0.000 0.000 1.183 451 M CB -0.864 31.722 32.600 -0.023 0.000 1.322 451 M HN 0.709 nan 8.290 nan 0.000 0.467 452 G N 2.001 110.806 108.800 0.008 0.000 2.313 452 G HA2 0.369 4.369 3.960 0.066 0.000 0.250 452 G HA3 0.369 4.369 3.960 0.066 0.000 0.250 452 G C -0.348 174.554 174.900 0.004 0.000 1.281 452 G CA -0.340 44.763 45.100 0.004 0.000 0.917 452 G HN 0.320 nan 8.290 nan 0.000 0.501 453 I N 2.899 123.465 120.570 -0.008 0.000 2.306 453 I HA 0.099 4.308 4.170 0.066 0.000 0.288 453 I C -0.231 175.881 176.117 -0.009 0.000 1.036 453 I CA -0.502 60.797 61.300 -0.002 0.000 1.221 453 I CB 0.938 38.937 38.000 -0.002 0.000 1.385 453 I HN 0.364 nan 8.210 nan 0.000 0.472 454 D N 4.913 125.313 120.400 -0.000 0.000 2.348 454 D HA 0.068 4.747 4.640 0.066 0.000 0.253 454 D C 1.202 177.507 176.300 0.008 0.000 1.161 454 D CA 0.196 54.194 54.000 -0.005 0.000 0.876 454 D CB 1.843 42.647 40.800 0.006 0.000 1.160 454 D HN 0.570 nan 8.370 nan 0.000 0.459 455 T N -0.761 113.794 114.554 0.001 0.000 3.060 455 T HA -0.071 4.318 4.350 0.066 0.000 0.249 455 T C 0.875 175.587 174.700 0.021 0.000 1.079 455 T CA -0.487 61.618 62.100 0.008 0.000 1.013 455 T CB 0.161 69.027 68.868 -0.003 0.000 0.975 455 T HN 0.131 nan 8.240 nan 0.000 0.518 456 N N 3.286 122.001 118.700 0.025 0.000 2.411 456 N HA 0.085 4.865 4.740 0.066 0.000 0.261 456 N C -1.698 173.856 175.510 0.072 0.000 1.248 456 N CA -1.519 51.560 53.050 0.047 0.000 0.885 456 N CB 1.410 39.929 38.487 0.055 0.000 1.062 456 N HN 0.051 nan 8.380 nan 0.000 0.471 457 P HA -0.019 nan 4.420 nan 0.000 0.219 457 P C -0.522 176.841 177.300 0.105 0.000 1.146 457 P CA 0.907 64.055 63.100 0.080 0.000 0.808 457 P CB 0.178 31.920 31.700 0.070 0.000 0.779 458 A N 0.746 123.616 122.820 0.083 0.000 2.306 458 A HA 0.380 4.739 4.320 0.066 0.000 0.314 458 A C 0.499 178.177 177.584 0.156 0.000 1.164 458 A CA -0.610 51.422 52.037 -0.007 0.000 0.822 458 A CB -0.114 18.687 19.000 -0.332 0.000 1.130 458 A HN 0.292 nan 8.150 nan 0.000 0.496 459 N N 0.293 119.119 118.700 0.211 0.000 2.416 459 N HA 0.381 5.161 4.740 0.066 0.000 0.267 459 N C -0.920 174.749 175.510 0.265 0.000 1.294 459 N CA -0.384 52.873 53.050 0.344 0.000 0.891 459 N CB 0.319 38.969 38.487 0.272 0.000 1.238 459 N HN 0.689 nan 8.380 nan 0.000 0.508 460 Y N -1.231 118.929 120.300 -0.234 0.000 2.638 460 Y HA 0.661 5.248 4.550 0.062 0.000 0.335 460 Y C -1.542 173.763 175.900 -0.991 0.000 1.155 460 Y CA -1.367 56.444 58.100 -0.482 0.000 1.046 460 Y CB 0.963 39.293 38.460 -0.216 0.000 1.303 460 Y HN 0.090 nan 8.280 nan 0.000 0.460 461 E N 0.644 120.374 120.200 -0.784 0.000 2.383 461 E HA 0.657 5.047 4.350 0.066 0.000 0.275 461 E C -3.184 173.311 176.600 -0.176 0.000 0.918 461 E CA -2.029 54.000 56.400 -0.617 0.000 0.764 461 E CB 1.656 30.937 29.700 -0.698 0.000 1.252 461 E HN 0.563 nan 8.360 nan 0.000 0.449 462 P HA 0.287 nan 4.420 nan 0.000 0.275 462 P C -1.276 175.969 177.300 -0.092 0.000 1.228 462 P CA -0.440 62.590 63.100 -0.118 0.000 0.786 462 P CB 0.461 32.128 31.700 -0.054 0.000 0.927 463 N N -1.375 117.201 118.700 -0.205 0.000 2.242 463 N HA 0.316 5.095 4.740 0.066 0.000 0.292 463 N C 0.279 175.737 175.510 -0.086 0.000 1.125 463 N CA -0.758 52.181 53.050 -0.186 0.000 0.783 463 N CB 1.425 39.499 38.487 -0.687 0.000 1.558 463 N HN 0.182 nan 8.380 nan 0.000 0.472 464 S N 0.893 116.592 115.700 -0.001 0.000 2.492 464 S HA -0.019 4.491 4.470 0.066 0.000 0.218 464 S C 1.573 176.184 174.600 0.018 0.000 1.016 464 S CA 0.087 58.288 58.200 0.002 0.000 0.916 464 S CB -0.789 62.425 63.200 0.023 0.000 0.791 464 S HN 0.719 nan 8.310 nan 0.000 0.513 465 I N -0.660 119.930 120.570 0.034 0.000 2.756 465 I HA 0.186 4.395 4.170 0.066 0.000 0.262 465 I C 1.237 177.385 176.117 0.052 0.000 1.225 465 I CA 1.310 62.642 61.300 0.052 0.000 1.472 465 I CB -0.385 37.666 38.000 0.086 0.000 1.094 465 I HN 0.190 nan 8.210 nan 0.000 0.454 466 N N 1.172 119.898 118.700 0.043 0.000 2.299 466 N HA 0.039 4.819 4.740 0.066 0.000 0.246 466 N C -0.048 175.560 175.510 0.163 0.000 1.254 466 N CA -0.063 53.053 53.050 0.110 0.000 0.879 466 N CB 0.036 38.601 38.487 0.131 0.000 1.214 466 N HN 0.195 nan 8.380 nan 0.000 0.510 467 D N 0.849 121.294 120.400 0.076 0.000 2.737 467 D HA -0.265 4.415 4.640 0.066 0.000 0.233 467 D C -0.096 176.089 176.300 -0.191 0.000 1.155 467 D CA 1.137 55.143 54.000 0.009 0.000 0.667 467 D CB -1.310 39.570 40.800 0.134 0.000 1.060 467 D HN 0.507 nan 8.370 nan 0.000 0.427 468 N N -1.745 116.870 118.700 -0.142 0.000 2.800 468 N HA -0.244 4.536 4.740 0.066 0.000 0.250 468 N C -0.819 174.583 175.510 -0.180 0.000 1.078 468 N CA 1.380 54.310 53.050 -0.201 0.000 0.804 468 N CB -1.326 37.003 38.487 -0.264 0.000 1.135 468 N HN 0.527 nan 8.380 nan 0.000 0.565 469 W N 0.999 122.348 121.300 0.083 0.000 2.381 469 W HA 0.451 5.150 4.660 0.064 0.000 0.329 469 W C -1.646 174.924 176.519 0.085 0.000 1.157 469 W CA -1.603 55.773 57.345 0.053 0.000 1.240 469 W CB 0.580 30.021 29.460 -0.032 0.000 1.199 469 W HN -0.038 nan 8.180 nan 0.000 0.579 470 P HA 0.197 nan 4.420 nan 0.000 0.275 470 P C -0.737 176.686 177.300 0.206 0.000 1.228 470 P CA -0.133 63.097 63.100 0.218 0.000 0.786 470 P CB 1.005 32.669 31.700 -0.060 0.000 0.927 471 R N 1.182 121.783 120.500 0.168 0.000 2.604 471 R HA 0.301 4.680 4.340 0.066 0.000 0.287 471 R C 0.304 176.634 176.300 0.051 0.000 0.970 471 R CA -0.835 55.248 56.100 -0.030 0.000 0.946 471 R CB 1.177 31.239 30.300 -0.396 0.000 1.127 471 R HN 0.496 nan 8.270 nan 0.000 0.473 472 E N 0.835 121.058 120.200 0.038 0.000 2.459 472 E HA -0.035 4.355 4.350 0.066 0.000 0.264 472 E C -0.532 176.089 176.600 0.036 0.000 1.055 472 E CA 0.857 57.286 56.400 0.049 0.000 0.957 472 E CB 0.511 30.229 29.700 0.030 0.000 0.952 472 E HN 0.365 nan 8.360 nan 0.000 0.448 473 T N 3.868 118.455 114.554 0.055 0.000 2.840 473 T HA 0.333 4.723 4.350 0.066 0.000 0.287 473 T C -2.416 172.308 174.700 0.040 0.000 0.991 473 T CA -1.603 60.528 62.100 0.052 0.000 0.964 473 T CB 1.412 70.323 68.868 0.071 0.000 0.954 473 T HN 0.244 nan 8.240 nan 0.000 0.438 474 P HA 0.231 nan 4.420 nan 0.000 0.269 474 P C -2.406 174.900 177.300 0.011 0.000 1.215 474 P CA -1.252 61.856 63.100 0.013 0.000 0.780 474 P CB -0.362 31.341 31.700 0.005 0.000 0.898 475 P HA 0.302 nan 4.420 nan 0.000 0.272 475 P C 0.047 177.336 177.300 -0.018 0.000 1.240 475 P CA 0.324 63.411 63.100 -0.022 0.000 0.791 475 P CB 0.662 32.327 31.700 -0.057 0.000 0.978 476 G N -0.005 108.782 108.800 -0.021 0.000 2.341 476 G HA2 0.302 4.302 3.960 0.066 0.000 0.299 476 G HA3 0.302 4.302 3.960 0.066 0.000 0.299 476 G C -2.605 172.285 174.900 -0.016 0.000 1.274 476 G CA -0.611 44.480 45.100 -0.016 0.000 0.853 476 G HN 0.114 nan 8.290 nan 0.000 0.493 477 P HA 0.134 nan 4.420 nan 0.000 0.217 477 P C 0.244 177.540 177.300 -0.006 0.000 1.150 477 P CA 1.197 64.290 63.100 -0.012 0.000 0.832 477 P CB 0.140 31.835 31.700 -0.007 0.000 0.787 478 K N -2.082 118.322 120.400 0.006 0.000 2.532 478 K HA 0.393 4.752 4.320 0.066 0.000 0.265 478 K C -0.290 176.327 176.600 0.028 0.000 0.948 478 K CA -0.875 55.423 56.287 0.017 0.000 0.842 478 K CB 1.792 34.304 32.500 0.020 0.000 1.392 478 K HN -0.342 nan 8.250 nan 0.000 0.436 479 R N -0.547 119.978 120.500 0.041 0.000 3.741 479 R HA -0.156 4.223 4.340 0.066 0.000 0.292 479 R C 0.027 176.358 176.300 0.051 0.000 1.176 479 R CA 1.029 57.160 56.100 0.052 0.000 0.794 479 R CB -2.280 28.050 30.300 0.050 0.000 1.213 479 R HN 0.926 nan 8.270 nan 0.000 0.494 480 G N -0.743 108.083 108.800 0.043 0.000 2.522 480 G HA2 0.604 4.604 3.960 0.066 0.000 0.304 480 G HA3 0.604 4.604 3.960 0.066 0.000 0.304 480 G C 0.309 175.244 174.900 0.058 0.000 1.210 480 G CA 0.081 45.204 45.100 0.038 0.000 0.960 480 G HN 0.242 nan 8.290 nan 0.000 0.497 481 G N -1.333 107.502 108.800 0.058 0.000 2.503 481 G HA2 0.415 4.415 3.960 0.066 0.000 0.257 481 G HA3 0.415 4.415 3.960 0.066 0.000 0.257 481 G C -0.655 174.303 174.900 0.097 0.000 1.214 481 G CA -0.574 44.584 45.100 0.096 0.000 0.839 481 G HN 0.458 nan 8.290 nan 0.000 0.559 482 F N 0.678 120.644 119.950 0.027 0.000 2.504 482 F HA 0.347 4.917 4.527 0.070 0.000 0.369 482 F C 0.591 176.405 175.800 0.024 0.000 1.082 482 F CA -0.139 57.872 58.000 0.019 0.000 1.216 482 F CB 0.774 39.788 39.000 0.023 0.000 1.108 482 F HN 0.464 nan 8.300 nan 0.000 0.554 483 E N 4.257 124.103 120.200 -0.590 0.000 2.248 483 E HA 0.323 4.712 4.350 0.066 0.000 0.267 483 E C -1.119 175.124 176.600 -0.596 0.000 0.877 483 E CA -0.837 55.346 56.400 -0.361 0.000 0.759 483 E CB 1.610 31.197 29.700 -0.190 0.000 1.182 483 E HN 0.604 nan 8.360 nan 0.000 0.418 484 S N 2.559 118.139 115.700 -0.200 0.000 2.562 484 S HA 0.009 4.519 4.470 0.066 0.000 0.281 484 S C -0.609 173.967 174.600 -0.041 0.000 1.333 484 S CA -0.337 57.835 58.200 -0.047 0.000 1.052 484 S CB 0.106 63.407 63.200 0.168 0.000 0.884 484 S HN 0.470 nan 8.310 nan 0.000 0.506 485 Y N 2.675 122.900 120.300 -0.124 0.000 2.610 485 Y HA -0.006 4.583 4.550 0.065 0.000 0.332 485 Y C 0.853 176.728 175.900 -0.043 0.000 1.201 485 Y CA 0.169 58.210 58.100 -0.099 0.000 1.465 485 Y CB 0.248 38.647 38.460 -0.102 0.000 1.283 485 Y HN 0.587 nan 8.280 nan 0.000 0.563 486 Q N 5.164 124.563 119.800 -0.668 0.000 3.254 486 Q HA 0.018 4.398 4.340 0.066 0.000 0.315 486 Q C -0.296 175.392 176.000 -0.519 0.000 1.405 486 Q CA -0.036 55.495 55.803 -0.453 0.000 0.966 486 Q CB -0.217 28.327 28.738 -0.323 0.000 1.706 486 Q HN 0.637 nan 8.270 nan 0.000 0.525 487 E N 1.456 121.457 120.200 -0.332 0.000 2.414 487 E HA -0.012 4.378 4.350 0.066 0.000 0.263 487 E C -0.200 176.375 176.600 -0.041 0.000 1.000 487 E CA -0.435 55.914 56.400 -0.085 0.000 0.914 487 E CB 0.624 30.413 29.700 0.148 0.000 0.948 487 E HN 0.133 nan 8.360 nan 0.000 0.444 488 R N 3.089 123.586 120.500 -0.006 0.000 2.442 488 R HA 0.179 4.559 4.340 0.066 0.000 0.291 488 R C -1.461 174.865 176.300 0.043 0.000 1.069 488 R CA -0.153 55.953 56.100 0.010 0.000 1.022 488 R CB 0.745 31.057 30.300 0.019 0.000 0.976 488 R HN 0.285 nan 8.270 nan 0.000 0.443 489 V N 5.157 125.089 119.914 0.029 0.000 2.448 489 V HA 0.415 4.575 4.120 0.066 0.000 0.295 489 V C -0.524 175.585 176.094 0.025 0.000 1.025 489 V CA -0.566 61.755 62.300 0.035 0.000 0.859 489 V CB 1.568 33.408 31.823 0.028 0.000 0.988 489 V HN 0.832 nan 8.190 nan 0.000 0.431 490 E N 2.990 123.206 120.200 0.027 0.000 2.294 490 E HA 0.706 5.095 4.350 0.066 0.000 0.272 490 E C -0.120 176.488 176.600 0.013 0.000 0.896 490 E CA -0.455 55.954 56.400 0.016 0.000 0.802 490 E CB 2.356 32.065 29.700 0.015 0.000 1.267 490 E HN 0.973 nan 8.360 nan 0.000 0.406 491 G N 2.349 111.151 108.800 0.004 0.000 2.316 491 G HA2 0.170 4.170 3.960 0.066 0.000 0.296 491 G HA3 0.170 4.170 3.960 0.066 0.000 0.296 491 G C -1.505 173.391 174.900 -0.007 0.000 1.399 491 G CA -1.020 44.079 45.100 -0.002 0.000 0.833 491 G HN 0.349 nan 8.290 nan 0.000 0.565 492 N N -0.048 118.644 118.700 -0.013 0.000 2.489 492 N HA 0.436 5.216 4.740 0.066 0.000 0.284 492 N C -0.214 175.284 175.510 -0.020 0.000 1.158 492 N CA -0.597 52.443 53.050 -0.015 0.000 0.965 492 N CB 1.061 39.538 38.487 -0.016 0.000 1.195 492 N HN 0.419 nan 8.380 nan 0.000 0.506 493 K N 1.083 121.471 120.400 -0.021 0.000 2.307 493 K HA 0.143 4.503 4.320 0.066 0.000 0.285 493 K C -0.709 175.871 176.600 -0.034 0.000 1.073 493 K CA -0.096 56.175 56.287 -0.027 0.000 0.996 493 K CB -0.373 32.112 32.500 -0.025 0.000 0.994 493 K HN 0.341 nan 8.250 nan 0.000 0.452 494 V N 0.330 120.219 119.914 -0.041 0.000 2.876 494 V HA 0.481 4.641 4.120 0.066 0.000 0.312 494 V C -0.481 175.574 176.094 -0.064 0.000 1.085 494 V CA -1.318 60.953 62.300 -0.048 0.000 0.945 494 V CB 2.023 33.819 31.823 -0.045 0.000 1.017 494 V HN 0.594 nan 8.190 nan 0.000 0.428 495 R N 2.555 123.014 120.500 -0.069 0.000 2.369 495 R HA 0.615 4.995 4.340 0.066 0.000 0.310 495 R C -0.534 175.721 176.300 -0.076 0.000 1.141 495 R CA -0.151 55.897 56.100 -0.088 0.000 1.116 495 R CB 0.869 31.104 30.300 -0.108 0.000 1.135 495 R HN 0.956 nan 8.270 nan 0.000 0.529 496 E N 2.208 122.359 120.200 -0.081 0.000 2.321 496 E HA 0.211 4.600 4.350 0.066 0.000 0.281 496 E C -1.341 175.194 176.600 -0.109 0.000 0.910 496 E CA -0.975 55.380 56.400 -0.075 0.000 0.770 496 E CB 1.589 31.251 29.700 -0.064 0.000 1.225 496 E HN 0.141 nan 8.360 nan 0.000 0.417 497 R N 1.809 122.249 120.500 -0.099 0.000 2.390 497 R HA 0.233 4.612 4.340 0.066 0.000 0.291 497 R C -0.520 175.662 176.300 -0.197 0.000 1.070 497 R CA 0.048 56.049 56.100 -0.164 0.000 1.014 497 R CB 1.228 31.492 30.300 -0.059 0.000 1.007 497 R HN 0.414 nan 8.270 nan 0.000 0.466 498 S N 4.905 120.370 115.700 -0.391 0.000 2.546 498 S HA 0.067 4.577 4.470 0.066 0.000 0.290 498 S C -1.513 173.060 174.600 -0.046 0.000 1.290 498 S CA -1.099 56.955 58.200 -0.243 0.000 1.069 498 S CB 0.577 63.561 63.200 -0.360 0.000 0.846 498 S HN 0.541 nan 8.310 nan 0.000 0.495 499 P HA -0.103 nan 4.420 nan 0.000 0.219 499 P C 1.444 178.799 177.300 0.092 0.000 1.146 499 P CA 1.230 64.354 63.100 0.041 0.000 0.808 499 P CB -0.091 31.623 31.700 0.024 0.000 0.779 500 S N -2.316 113.478 115.700 0.157 0.000 2.507 500 S HA -0.076 4.433 4.470 0.066 0.000 0.235 500 S C 1.410 176.168 174.600 0.263 0.000 0.988 500 S CA 0.673 58.993 58.200 0.201 0.000 0.944 500 S CB -1.300 62.054 63.200 0.256 0.000 0.762 500 S HN -0.020 nan 8.310 nan 0.000 0.526 501 F N 2.297 122.235 119.950 -0.021 0.000 2.789 501 F HA 0.380 4.946 4.527 0.066 0.000 0.300 501 F C 1.929 177.650 175.800 -0.130 0.000 1.132 501 F CA -0.775 57.206 58.000 -0.031 0.000 1.404 501 F CB -0.514 38.500 39.000 0.024 0.000 1.114 501 F HN 0.357 nan 8.300 nan 0.000 0.584 502 G N 0.387 109.171 108.800 -0.026 0.000 3.709 502 G HA2 0.132 4.132 3.960 0.066 0.000 0.272 502 G HA3 0.132 4.132 3.960 0.066 0.000 0.272 502 G C -0.130 174.327 174.900 -0.739 0.000 1.259 502 G CA 0.096 45.001 45.100 -0.326 0.000 1.512 502 G HN 0.030 nan 8.290 nan 0.000 0.625 503 E N 0.120 119.798 120.200 -0.870 0.000 2.263 503 E HA 0.356 4.745 4.350 0.066 0.000 0.268 503 E C -0.980 175.191 176.600 -0.714 0.000 0.884 503 E CA -0.775 55.204 56.400 -0.702 0.000 0.766 503 E CB 1.647 31.192 29.700 -0.259 0.000 1.196 503 E HN 0.202 nan 8.360 nan 0.000 0.416 504 Y N 2.498 122.591 120.300 -0.346 0.000 2.499 504 Y HA 0.209 4.798 4.550 0.066 0.000 0.253 504 Y C 0.663 176.291 175.900 -0.453 0.000 1.105 504 Y CA -0.137 57.672 58.100 -0.485 0.000 1.240 504 Y CB 0.442 38.478 38.460 -0.706 0.000 1.289 504 Y HN 0.407 nan 8.280 nan 0.000 0.534 505 Y N -1.937 118.455 120.300 0.153 0.000 2.483 505 Y HA 0.186 4.776 4.550 0.067 0.000 0.258 505 Y C 2.192 178.158 175.900 0.111 0.000 1.083 505 Y CA 0.123 58.306 58.100 0.139 0.000 1.283 505 Y CB -0.079 38.467 38.460 0.143 0.000 1.178 505 Y HN -0.126 nan 8.280 nan 0.000 0.515 506 S N -0.714 115.116 115.700 0.218 0.000 2.383 506 S HA -0.143 4.367 4.470 0.066 0.000 0.227 506 S C 1.633 176.315 174.600 0.137 0.000 1.026 506 S CA 1.161 59.474 58.200 0.188 0.000 0.981 506 S CB -0.344 62.973 63.200 0.195 0.000 0.818 506 S HN 0.571 nan 8.310 nan 0.000 0.472 507 H N 0.825 119.812 119.070 -0.138 0.000 2.363 507 H HA 0.007 4.603 4.556 0.067 0.000 0.301 507 H C -0.605 174.535 175.328 -0.313 0.000 1.074 507 H CA 0.998 56.816 56.048 -0.383 0.000 1.354 507 H CB -1.294 27.998 29.762 -0.784 0.000 1.397 507 H HN 0.312 nan 8.280 nan 0.000 0.516 508 P HA -0.189 nan 4.420 nan 0.000 0.215 508 P C 1.654 179.140 177.300 0.310 0.000 1.157 508 P CA 1.520 64.778 63.100 0.263 0.000 0.874 508 P CB -0.111 31.764 31.700 0.292 0.000 0.790 509 R N -0.512 120.121 120.500 0.221 0.000 2.066 509 R HA -0.129 4.251 4.340 0.066 0.000 0.232 509 R C 2.171 178.600 176.300 0.216 0.000 1.131 509 R CA 1.171 57.404 56.100 0.223 0.000 0.955 509 R CB -1.116 29.278 30.300 0.156 0.000 0.851 509 R HN 0.040 nan 8.270 nan 0.000 0.432 510 L N 0.587 121.878 121.223 0.113 0.000 2.012 510 L HA -0.173 4.207 4.340 0.066 0.000 0.210 510 L C 2.017 178.946 176.870 0.099 0.000 1.073 510 L CA 1.853 56.722 54.840 0.048 0.000 0.748 510 L CB -0.882 41.125 42.059 -0.086 0.000 0.891 510 L HN 0.257 nan 8.230 nan 0.000 0.431 511 F N -0.618 119.352 119.950 0.032 0.000 2.069 511 F HA -0.313 4.254 4.527 0.067 0.000 0.298 511 F C 2.367 178.174 175.800 0.010 0.000 1.113 511 F CA 2.370 60.374 58.000 0.007 0.000 1.214 511 F CB -0.659 38.382 39.000 0.068 0.000 0.978 511 F HN 0.430 nan 8.300 nan 0.000 0.474 512 W N 1.313 122.611 121.300 -0.003 0.000 2.335 512 W HA -0.252 4.447 4.660 0.066 0.000 0.311 512 W C 1.766 178.165 176.519 -0.200 0.000 1.213 512 W CA 1.762 59.047 57.345 -0.101 0.000 1.274 512 W CB -0.782 28.704 29.460 0.043 0.000 1.148 512 W HN 0.089 nan 8.180 nan 0.000 0.498 513 L N 1.155 122.316 121.223 -0.104 0.000 2.362 513 L HA -0.157 4.222 4.340 0.066 0.000 0.219 513 L C 2.313 178.991 176.870 -0.320 0.000 1.134 513 L CA 1.053 55.755 54.840 -0.230 0.000 0.807 513 L CB -0.591 41.461 42.059 -0.011 0.000 0.927 513 L HN -0.120 nan 8.230 nan 0.000 0.447 514 S N -1.565 113.923 115.700 -0.353 0.000 2.548 514 S HA 0.072 4.581 4.470 0.066 0.000 0.215 514 S C 0.704 175.016 174.600 -0.480 0.000 0.976 514 S CA -0.041 57.951 58.200 -0.347 0.000 0.908 514 S CB 0.108 63.132 63.200 -0.292 0.000 0.781 514 S HN 0.276 nan 8.310 nan 0.000 0.519 515 Q N 2.084 121.495 119.800 -0.649 0.000 2.260 515 Q HA 0.300 4.680 4.340 0.066 0.000 0.238 515 Q C 0.605 176.210 176.000 -0.657 0.000 0.948 515 Q CA -0.091 55.287 55.803 -0.708 0.000 0.895 515 Q CB 0.428 28.673 28.738 -0.821 0.000 1.218 515 Q HN 0.412 nan 8.270 nan 0.000 0.470 516 T N -2.205 111.912 114.554 -0.728 0.000 2.788 516 T HA 0.192 4.582 4.350 0.066 0.000 0.287 516 T C -1.786 172.458 174.700 -0.759 0.000 1.007 516 T CA -1.397 60.248 62.100 -0.758 0.000 1.005 516 T CB 0.389 68.566 68.868 -1.150 0.000 1.012 516 T HN 0.210 nan 8.240 nan 0.000 0.530 517 P HA -0.034 nan 4.420 nan 0.000 0.215 517 P C 1.383 178.468 177.300 -0.358 0.000 1.153 517 P CA 0.999 63.881 63.100 -0.362 0.000 0.853 517 P CB -0.251 31.353 31.700 -0.160 0.000 0.788 518 F N -0.056 119.697 119.950 -0.328 0.000 2.234 518 F HA -0.014 4.553 4.527 0.066 0.000 0.299 518 F C 1.811 177.247 175.800 -0.606 0.000 1.087 518 F CA 0.918 58.659 58.000 -0.430 0.000 1.340 518 F CB -1.723 37.000 39.000 -0.462 0.000 1.031 518 F HN -0.084 nan 8.300 nan 0.000 0.500 519 E N 0.475 120.107 120.200 -0.947 0.000 2.110 519 E HA -0.207 4.182 4.350 0.066 0.000 0.193 519 E C 2.225 178.626 176.600 -0.332 0.000 0.988 519 E CA 1.432 57.482 56.400 -0.583 0.000 0.804 519 E CB -0.266 29.046 29.700 -0.648 0.000 0.745 519 E HN 0.638 nan 8.360 nan 0.000 0.458 520 Q N 0.282 119.814 119.800 -0.447 0.000 2.046 520 Q HA -0.141 4.238 4.340 0.066 0.000 0.200 520 Q C 2.321 178.344 176.000 0.040 0.000 0.975 520 Q CA 0.854 56.431 55.803 -0.377 0.000 0.836 520 Q CB -0.163 28.088 28.738 -0.811 0.000 0.896 520 Q HN 0.133 nan 8.270 nan 0.000 0.428 521 R N 0.457 120.960 120.500 0.006 0.000 2.103 521 R HA -0.200 4.179 4.340 0.066 0.000 0.242 521 R C 1.748 178.236 176.300 0.314 0.000 1.142 521 R CA 1.779 57.979 56.100 0.167 0.000 0.960 521 R CB -0.241 30.144 30.300 0.142 0.000 0.858 521 R HN 0.526 nan 8.270 nan 0.000 0.439 522 H N -0.513 118.648 119.070 0.153 0.000 2.389 522 H HA -0.061 4.534 4.556 0.066 0.000 0.299 522 H C 2.263 177.712 175.328 0.202 0.000 1.081 522 H CA 1.189 57.345 56.048 0.181 0.000 1.345 522 H CB 0.041 29.914 29.762 0.185 0.000 1.393 522 H HN 0.221 nan 8.280 nan 0.000 0.520 523 I N 0.265 121.053 120.570 0.363 0.000 2.142 523 I HA -0.267 3.942 4.170 0.066 0.000 0.240 523 I C 2.355 178.775 176.117 0.504 0.000 1.078 523 I CA 0.834 62.389 61.300 0.427 0.000 1.343 523 I CB -0.215 38.120 38.000 0.559 0.000 1.046 523 I HN 0.067 nan 8.210 nan 0.000 0.405 524 V N 0.982 121.184 119.914 0.479 0.000 2.278 524 V HA -0.361 3.799 4.120 0.066 0.000 0.251 524 V C 2.078 178.353 176.094 0.302 0.000 1.062 524 V CA 2.239 64.758 62.300 0.366 0.000 1.038 524 V CB -0.706 31.291 31.823 0.290 0.000 0.646 524 V HN 0.438 nan 8.190 nan 0.000 0.447 525 D N 0.209 120.772 120.400 0.272 0.000 2.144 525 D HA -0.079 4.601 4.640 0.066 0.000 0.200 525 D C 2.187 178.585 176.300 0.163 0.000 0.978 525 D CA 1.516 55.645 54.000 0.215 0.000 0.833 525 D CB -0.653 40.275 40.800 0.213 0.000 0.961 525 D HN 0.473 nan 8.370 nan 0.000 0.470 526 G N 0.175 109.051 108.800 0.126 0.000 2.433 526 G HA2 -0.266 3.734 3.960 0.066 0.000 0.216 526 G HA3 -0.266 3.734 3.960 0.066 0.000 0.216 526 G C 1.484 176.408 174.900 0.041 0.000 1.186 526 G CA 0.300 45.391 45.100 -0.015 0.000 0.779 526 G HN 0.176 nan 8.290 nan 0.000 0.543 527 F N 1.780 121.779 119.950 0.082 0.000 2.126 527 F HA -0.111 4.456 4.527 0.066 0.000 0.299 527 F C 3.178 178.899 175.800 -0.131 0.000 1.096 527 F CA 1.689 59.668 58.000 -0.035 0.000 1.255 527 F CB -0.322 38.663 39.000 -0.026 0.000 0.997 527 F HN 0.092 nan 8.300 nan 0.000 0.479 528 S N -0.250 115.553 115.700 0.171 0.000 2.368 528 S HA -0.193 4.316 4.470 0.066 0.000 0.224 528 S C 1.861 176.477 174.600 0.028 0.000 1.029 528 S CA 1.149 59.391 58.200 0.069 0.000 0.988 528 S CB -0.773 62.489 63.200 0.103 0.000 0.838 528 S HN 0.396 nan 8.310 nan 0.000 0.462 529 F N 2.565 122.485 119.950 -0.050 0.000 2.102 529 F HA -0.122 4.445 4.527 0.066 0.000 0.298 529 F C 2.388 178.130 175.800 -0.096 0.000 1.105 529 F CA 1.547 59.506 58.000 -0.068 0.000 1.239 529 F CB -0.222 38.681 39.000 -0.162 0.000 0.991 529 F HN 0.135 nan 8.300 nan 0.000 0.474 530 E N 0.497 120.646 120.200 -0.085 0.000 2.047 530 E HA -0.198 4.192 4.350 0.066 0.000 0.191 530 E C 2.337 178.728 176.600 -0.349 0.000 0.987 530 E CA 1.566 57.886 56.400 -0.135 0.000 0.799 530 E CB -0.470 29.301 29.700 0.119 0.000 0.752 530 E HN 0.476 nan 8.360 nan 0.000 0.449 531 L N 1.367 122.309 121.223 -0.468 0.000 2.275 531 L HA -0.122 4.258 4.340 0.066 0.000 0.215 531 L C 2.661 179.361 176.870 -0.283 0.000 1.119 531 L CA 1.006 55.555 54.840 -0.485 0.000 0.790 531 L CB -0.427 41.362 42.059 -0.450 0.000 0.919 531 L HN 0.135 nan 8.230 nan 0.000 0.443 532 S N -0.781 114.762 115.700 -0.261 0.000 2.474 532 S HA -0.087 4.423 4.470 0.066 0.000 0.235 532 S C 1.717 176.199 174.600 -0.196 0.000 0.997 532 S CA 0.541 58.618 58.200 -0.205 0.000 0.949 532 S CB -0.058 63.025 63.200 -0.195 0.000 0.766 532 S HN 0.274 nan 8.310 nan 0.000 0.517 533 K N 1.239 121.501 120.400 -0.229 0.000 2.374 533 K HA 0.355 4.715 4.320 0.066 0.000 0.196 533 K C -0.083 176.511 176.600 -0.011 0.000 1.023 533 K CA -0.043 56.171 56.287 -0.123 0.000 1.103 533 K CB 0.148 32.567 32.500 -0.136 0.000 0.848 533 K HN 0.317 nan 8.250 nan 0.000 0.528 534 V N 2.124 122.010 119.914 -0.046 0.000 2.470 534 V HA 0.003 4.163 4.120 0.066 0.000 0.276 534 V C 1.716 177.794 176.094 -0.027 0.000 1.040 534 V CA -0.037 62.262 62.300 -0.002 0.000 1.008 534 V CB 1.353 33.143 31.823 -0.054 0.000 0.990 534 V HN -0.126 nan 8.190 nan 0.000 0.477 535 V N 5.022 124.940 119.914 0.007 0.000 2.535 535 V HA 0.020 4.180 4.120 0.066 0.000 0.246 535 V C 1.292 177.366 176.094 -0.034 0.000 1.045 535 V CA 1.084 63.385 62.300 0.001 0.000 1.058 535 V CB -0.360 31.482 31.823 0.032 0.000 0.689 535 V HN 0.751 nan 8.190 nan 0.000 0.461 536 R N 0.870 121.320 120.500 -0.083 0.000 2.216 536 R HA 0.202 4.581 4.340 0.066 0.000 0.332 536 R C -1.791 174.373 176.300 -0.227 0.000 1.056 536 R CA -1.419 54.595 56.100 -0.143 0.000 0.901 536 R CB 0.852 30.979 30.300 -0.288 0.000 1.039 536 R HN 0.210 nan 8.270 nan 0.000 0.456 537 P HA -0.155 nan 4.420 nan 0.000 0.221 537 P C 0.637 177.882 177.300 -0.092 0.000 1.150 537 P CA 0.903 63.957 63.100 -0.076 0.000 0.800 537 P CB 0.033 31.731 31.700 -0.004 0.000 0.787 538 Y N -1.159 119.142 120.300 0.001 0.000 2.315 538 Y HA -0.112 4.477 4.550 0.066 0.000 0.288 538 Y C 1.856 177.763 175.900 0.011 0.000 1.154 538 Y CA 0.755 58.857 58.100 0.003 0.000 1.229 538 Y CB -1.810 36.652 38.460 0.003 0.000 0.980 538 Y HN -0.104 nan 8.280 nan 0.000 0.540 539 I N 0.813 120.975 120.570 -0.679 0.000 2.252 539 I HA -0.230 3.980 4.170 0.066 0.000 0.245 539 I C 2.534 178.571 176.117 -0.133 0.000 1.102 539 I CA 1.297 62.382 61.300 -0.357 0.000 1.385 539 I CB -0.383 37.401 38.000 -0.361 0.000 1.064 539 I HN 0.179 nan 8.210 nan 0.000 0.414 540 R N 0.908 121.315 120.500 -0.155 0.000 2.083 540 R HA -0.206 4.174 4.340 0.066 0.000 0.237 540 R C 2.148 178.401 176.300 -0.079 0.000 1.137 540 R CA 1.647 57.668 56.100 -0.131 0.000 0.951 540 R CB -0.508 29.711 30.300 -0.135 0.000 0.851 540 R HN 0.432 nan 8.270 nan 0.000 0.434 541 E N 0.432 120.605 120.200 -0.045 0.000 2.085 541 E HA -0.198 4.191 4.350 0.066 0.000 0.194 541 E C 2.168 178.774 176.600 0.011 0.000 0.994 541 E CA 1.276 57.670 56.400 -0.009 0.000 0.801 541 E CB -0.043 29.674 29.700 0.029 0.000 0.743 541 E HN 0.273 nan 8.360 nan 0.000 0.453 542 R N 0.098 120.620 120.500 0.036 0.000 2.092 542 R HA -0.085 4.294 4.340 0.066 0.000 0.231 542 R C 2.378 178.706 176.300 0.047 0.000 1.119 542 R CA 0.962 57.097 56.100 0.058 0.000 0.970 542 R CB -0.146 30.209 30.300 0.092 0.000 0.864 542 R HN 0.054 nan 8.270 nan 0.000 0.440 543 V N 0.233 120.172 119.914 0.041 0.000 2.358 543 V HA -0.191 3.969 4.120 0.066 0.000 0.246 543 V C 2.233 178.316 176.094 -0.020 0.000 1.047 543 V CA 1.444 63.782 62.300 0.064 0.000 1.035 543 V CB -0.261 31.623 31.823 0.101 0.000 0.658 543 V HN 0.122 nan 8.190 nan 0.000 0.452 544 V N 0.548 120.425 119.914 -0.063 0.000 2.407 544 V HA -0.301 3.859 4.120 0.066 0.000 0.248 544 V C 2.295 178.349 176.094 -0.067 0.000 1.055 544 V CA 2.410 64.647 62.300 -0.106 0.000 1.049 544 V CB -0.681 31.085 31.823 -0.095 0.000 0.662 544 V HN 0.643 nan 8.190 nan 0.000 0.455 545 D N -0.515 119.879 120.400 -0.010 0.000 2.123 545 D HA -0.213 4.467 4.640 0.066 0.000 0.196 545 D C 2.267 178.643 176.300 0.127 0.000 0.992 545 D CA 1.479 55.507 54.000 0.046 0.000 0.833 545 D CB -0.035 40.809 40.800 0.074 0.000 0.954 545 D HN 0.510 nan 8.370 nan 0.000 0.455 546 Q N -0.387 119.461 119.800 0.081 0.000 2.050 546 Q HA -0.115 4.265 4.340 0.066 0.000 0.202 546 Q C 2.502 178.535 176.000 0.055 0.000 0.980 546 Q CA 0.994 56.859 55.803 0.102 0.000 0.840 546 Q CB -0.147 28.667 28.738 0.127 0.000 0.898 546 Q HN 0.393 nan 8.270 nan 0.000 0.424 547 L N 0.215 121.404 121.223 -0.056 0.000 2.129 547 L HA -0.211 4.168 4.340 0.066 0.000 0.212 547 L C 2.406 179.159 176.870 -0.194 0.000 1.087 547 L CA 0.909 55.635 54.840 -0.191 0.000 0.757 547 L CB -0.642 41.197 42.059 -0.367 0.000 0.896 547 L HN 0.233 nan 8.230 nan 0.000 0.434 548 A N -0.856 121.871 122.820 -0.154 0.000 2.121 548 A HA -0.198 4.162 4.320 0.066 0.000 0.218 548 A C 1.755 179.139 177.584 -0.334 0.000 1.154 548 A CA 1.262 53.165 52.037 -0.223 0.000 0.679 548 A CB -0.705 18.171 19.000 -0.207 0.000 0.795 548 A HN 0.457 nan 8.150 nan 0.000 0.458 549 H N -1.227 117.638 119.070 -0.342 0.000 2.548 549 H HA 0.245 4.840 4.556 0.067 0.000 0.268 549 H C 1.594 176.657 175.328 -0.442 0.000 0.975 549 H CA 1.084 56.793 56.048 -0.565 0.000 1.195 549 H CB 0.070 29.072 29.762 -1.267 0.000 1.397 549 H HN 0.507 nan 8.280 nan 0.000 0.572 550 I N -1.170 119.302 120.570 -0.163 0.000 2.681 550 I HA 0.076 4.286 4.170 0.066 0.000 0.247 550 I C -0.120 175.924 176.117 -0.122 0.000 1.091 550 I CA 0.477 61.751 61.300 -0.043 0.000 1.442 550 I CB 0.654 38.655 38.000 0.003 0.000 1.219 550 I HN 0.085 nan 8.210 nan 0.000 0.451 551 D N -1.050 119.201 120.400 -0.248 0.000 2.931 551 D HA 0.231 4.910 4.640 0.066 0.000 0.215 551 D C 0.157 176.282 176.300 -0.293 0.000 1.297 551 D CA -0.411 53.418 54.000 -0.285 0.000 0.892 551 D CB 1.392 41.867 40.800 -0.543 0.000 1.642 551 D HN -0.211 nan 8.370 nan 0.000 0.560 552 L N 2.406 123.517 121.223 -0.186 0.000 2.141 552 L HA 0.012 4.392 4.340 0.066 0.000 0.209 552 L C 2.173 178.955 176.870 -0.148 0.000 1.094 552 L CA 1.639 56.383 54.840 -0.160 0.000 0.763 552 L CB -1.223 40.770 42.059 -0.108 0.000 0.908 552 L HN 0.626 nan 8.230 nan 0.000 0.437 553 T N -0.097 114.391 114.554 -0.110 0.000 2.737 553 T HA -0.185 4.205 4.350 0.066 0.000 0.265 553 T C 1.893 176.519 174.700 -0.122 0.000 1.038 553 T CA 1.437 63.515 62.100 -0.035 0.000 1.144 553 T CB -0.351 68.593 68.868 0.127 0.000 0.866 553 T HN 0.214 nan 8.240 nan 0.000 0.434 554 L N 1.704 122.679 121.223 -0.412 0.000 2.012 554 L HA -0.000 4.380 4.340 0.066 0.000 0.210 554 L C 2.571 179.203 176.870 -0.397 0.000 1.073 554 L CA 2.154 56.592 54.840 -0.670 0.000 0.748 554 L CB -1.094 40.105 42.059 -1.432 0.000 0.891 554 L HN 0.211 nan 8.230 nan 0.000 0.431 555 A N -1.134 121.469 122.820 -0.361 0.000 1.902 555 A HA -0.244 4.115 4.320 0.066 0.000 0.217 555 A C 2.240 179.716 177.584 -0.180 0.000 1.181 555 A CA 1.806 53.679 52.037 -0.274 0.000 0.623 555 A CB -0.643 18.214 19.000 -0.239 0.000 0.818 555 A HN 0.682 nan 8.150 nan 0.000 0.443 556 Q N -0.778 118.940 119.800 -0.137 0.000 2.084 556 Q HA -0.093 4.286 4.340 0.066 0.000 0.202 556 Q C 2.413 178.380 176.000 -0.054 0.000 0.978 556 Q CA 1.381 57.136 55.803 -0.080 0.000 0.844 556 Q CB -0.354 28.353 28.738 -0.052 0.000 0.898 556 Q HN 0.696 nan 8.270 nan 0.000 0.426 557 A N 0.051 122.844 122.820 -0.045 0.000 1.898 557 A HA -0.126 4.234 4.320 0.066 0.000 0.216 557 A C 2.278 179.860 177.584 -0.003 0.000 1.181 557 A CA 1.235 53.275 52.037 0.005 0.000 0.620 557 A CB -0.597 18.439 19.000 0.060 0.000 0.819 557 A HN 0.216 nan 8.150 nan 0.000 0.442 558 V N -0.040 119.842 119.914 -0.054 0.000 2.343 558 V HA -0.243 3.916 4.120 0.066 0.000 0.247 558 V C 3.052 179.111 176.094 -0.058 0.000 1.051 558 V CA 1.876 64.142 62.300 -0.057 0.000 1.036 558 V CB -1.294 30.438 31.823 -0.151 0.000 0.654 558 V HN 0.608 nan 8.190 nan 0.000 0.451 559 A N -0.224 122.551 122.820 -0.074 0.000 1.908 559 A HA -0.292 4.067 4.320 0.066 0.000 0.218 559 A C 2.350 179.914 177.584 -0.034 0.000 1.181 559 A CA 2.317 54.318 52.037 -0.061 0.000 0.627 559 A CB -0.523 18.438 19.000 -0.065 0.000 0.818 559 A HN 0.523 nan 8.150 nan 0.000 0.445 560 K N -0.346 120.041 120.400 -0.021 0.000 2.009 560 K HA -0.197 4.163 4.320 0.066 0.000 0.210 560 K C 1.574 178.177 176.600 0.006 0.000 1.049 560 K CA 1.664 57.949 56.287 -0.003 0.000 0.929 560 K CB -0.247 32.259 32.500 0.009 0.000 0.714 560 K HN 0.453 nan 8.250 nan 0.000 0.440 561 N N 0.730 119.438 118.700 0.013 0.000 2.443 561 N HA -0.136 4.643 4.740 0.066 0.000 0.184 561 N C 1.364 176.876 175.510 0.003 0.000 1.037 561 N CA 0.943 54.007 53.050 0.022 0.000 0.896 561 N CB 0.028 38.542 38.487 0.046 0.000 0.959 561 N HN 0.293 nan 8.380 nan 0.000 0.442 562 L N -0.966 120.246 121.223 -0.017 0.000 2.640 562 L HA 0.255 4.635 4.340 0.066 0.000 0.230 562 L C 1.031 177.887 176.870 -0.024 0.000 1.123 562 L CA -0.023 54.797 54.840 -0.032 0.000 0.900 562 L CB 0.062 42.087 42.059 -0.058 0.000 1.146 562 L HN 0.076 nan 8.230 nan 0.000 0.484 563 G N 1.455 110.247 108.800 -0.014 0.000 2.176 563 G HA2 -0.278 3.722 3.960 0.066 0.000 0.252 563 G HA3 -0.278 3.722 3.960 0.066 0.000 0.252 563 G C 0.021 174.913 174.900 -0.014 0.000 1.024 563 G CA -0.002 45.093 45.100 -0.009 0.000 0.755 563 G HN 0.295 nan 8.290 nan 0.000 0.507 564 I N 0.018 120.575 120.570 -0.021 0.000 2.437 564 I HA 0.479 4.688 4.170 0.066 0.000 0.298 564 I C 0.373 176.476 176.117 -0.024 0.000 0.984 564 I CA -0.725 60.561 61.300 -0.024 0.000 1.214 564 I CB 1.804 39.783 38.000 -0.035 0.000 1.365 564 I HN 0.200 nan 8.210 nan 0.000 0.469 565 E N 6.143 126.330 120.200 -0.021 0.000 2.151 565 E HA 0.427 4.817 4.350 0.066 0.000 0.275 565 E C -1.088 175.496 176.600 -0.028 0.000 0.936 565 E CA -0.711 55.676 56.400 -0.022 0.000 0.777 565 E CB 1.220 30.911 29.700 -0.015 0.000 1.108 565 E HN 0.475 nan 8.360 nan 0.000 0.401 566 L N 3.708 124.909 121.223 -0.036 0.000 2.456 566 L HA 0.129 4.509 4.340 0.066 0.000 0.272 566 L C 1.016 177.864 176.870 -0.036 0.000 1.189 566 L CA -0.180 54.634 54.840 -0.044 0.000 0.846 566 L CB 0.509 42.533 42.059 -0.059 0.000 1.111 566 L HN 0.717 nan 8.230 nan 0.000 0.475 567 T N -2.145 112.389 114.554 -0.035 0.000 2.766 567 T HA 0.040 4.430 4.350 0.066 0.000 0.295 567 T C 0.802 175.481 174.700 -0.036 0.000 1.024 567 T CA -0.789 61.294 62.100 -0.029 0.000 1.018 567 T CB 1.021 69.876 68.868 -0.023 0.000 1.002 567 T HN 0.496 nan 8.240 nan 0.000 0.532 568 D N 0.613 120.996 120.400 -0.029 0.000 2.104 568 D HA -0.105 4.575 4.640 0.066 0.000 0.194 568 D C 1.758 178.034 176.300 -0.040 0.000 0.994 568 D CA 1.355 55.336 54.000 -0.031 0.000 0.830 568 D CB -0.395 40.392 40.800 -0.023 0.000 0.959 568 D HN 0.617 nan 8.370 nan 0.000 0.452 569 D N 0.419 120.796 120.400 -0.037 0.000 2.123 569 D HA -0.143 4.537 4.640 0.066 0.000 0.196 569 D C 2.128 178.383 176.300 -0.076 0.000 0.992 569 D CA 0.816 54.789 54.000 -0.046 0.000 0.833 569 D CB -0.258 40.524 40.800 -0.031 0.000 0.954 569 D HN 0.369 nan 8.370 nan 0.000 0.455 570 Q N -0.241 119.513 119.800 -0.077 0.000 2.119 570 Q HA -0.031 4.348 4.340 0.066 0.000 0.201 570 Q C 2.402 178.325 176.000 -0.128 0.000 0.972 570 Q CA 0.573 56.306 55.803 -0.116 0.000 0.847 570 Q CB -0.056 28.627 28.738 -0.091 0.000 0.903 570 Q HN 0.322 nan 8.270 nan 0.000 0.433 571 L N 0.742 121.910 121.223 -0.091 0.000 2.275 571 L HA -0.136 4.243 4.340 0.066 0.000 0.215 571 L C 1.245 178.065 176.870 -0.084 0.000 1.119 571 L CA 0.465 55.256 54.840 -0.082 0.000 0.790 571 L CB -0.142 41.883 42.059 -0.057 0.000 0.919 571 L HN 0.224 nan 8.230 nan 0.000 0.443 572 N N -0.215 118.433 118.700 -0.086 0.000 2.230 572 N HA 0.221 5.000 4.740 0.066 0.000 0.202 572 N C 0.315 175.766 175.510 -0.099 0.000 1.119 572 N CA 0.081 53.086 53.050 -0.076 0.000 0.851 572 N CB 0.466 38.920 38.487 -0.054 0.000 0.990 572 N HN 0.219 nan 8.380 nan 0.000 0.497 573 I N 1.744 122.220 120.570 -0.156 0.000 2.587 573 I HA -0.035 4.174 4.170 0.066 0.000 0.284 573 I C 0.375 176.396 176.117 -0.159 0.000 1.134 573 I CA 0.241 61.413 61.300 -0.212 0.000 1.410 573 I CB 0.304 38.045 38.000 -0.433 0.000 1.392 573 I HN -0.169 nan 8.210 nan 0.000 0.545 574 T N 8.013 122.504 114.554 -0.104 0.000 2.853 574 T HA 0.135 4.525 4.350 0.066 0.000 0.298 574 T C -2.048 172.616 174.700 -0.060 0.000 0.978 574 T CA -0.786 61.279 62.100 -0.058 0.000 1.152 574 T CB -0.002 68.854 68.868 -0.020 0.000 0.914 574 T HN 0.363 nan 8.240 nan 0.000 0.539 575 P HA 0.163 nan 4.420 nan 0.000 0.266 575 P C -2.091 175.224 177.300 0.025 0.000 1.195 575 P CA -1.167 61.919 63.100 -0.023 0.000 0.768 575 P CB -0.272 31.425 31.700 -0.005 0.000 0.838 576 P HA 0.142 nan 4.420 nan 0.000 0.271 576 P C -2.511 174.845 177.300 0.093 0.000 1.233 576 P CA -1.032 62.138 63.100 0.117 0.000 0.789 576 P CB -0.794 31.024 31.700 0.197 0.000 0.951 577 P HA 0.126 nan 4.420 nan 0.000 0.272 577 P C -0.156 177.195 177.300 0.084 0.000 1.230 577 P CA 0.116 63.264 63.100 0.081 0.000 0.788 577 P CB 0.147 31.897 31.700 0.083 0.000 0.949 578 D N -0.224 120.218 120.400 0.070 0.000 2.364 578 D HA 0.034 4.714 4.640 0.066 0.000 0.236 578 D C -0.137 176.211 176.300 0.081 0.000 1.221 578 D CA 0.205 54.243 54.000 0.064 0.000 0.891 578 D CB 0.307 41.139 40.800 0.053 0.000 1.190 578 D HN -0.043 nan 8.370 nan 0.000 0.449 579 V N 2.659 122.611 119.914 0.063 0.000 2.353 579 V HA 0.053 4.212 4.120 0.066 0.000 0.264 579 V C 0.250 176.434 176.094 0.150 0.000 1.049 579 V CA -0.449 61.913 62.300 0.103 0.000 0.896 579 V CB -0.305 31.486 31.823 -0.053 0.000 1.025 579 V HN 0.594 nan 8.190 nan 0.000 0.475 580 N N 4.577 123.386 118.700 0.182 0.000 2.707 580 N HA -0.237 4.543 4.740 0.066 0.000 0.253 580 N C 1.166 176.740 175.510 0.105 0.000 0.998 580 N CA 1.053 54.195 53.050 0.153 0.000 0.751 580 N CB -0.835 37.784 38.487 0.220 0.000 0.920 580 N HN 1.260 nan 8.380 nan 0.000 0.539 581 G N -2.131 106.717 108.800 0.080 0.000 2.199 581 G HA2 -0.317 3.682 3.960 0.066 0.000 0.254 581 G HA3 -0.317 3.682 3.960 0.066 0.000 0.254 581 G C 0.106 175.036 174.900 0.050 0.000 0.982 581 G CA 0.249 45.383 45.100 0.057 0.000 0.632 581 G HN 0.388 nan 8.290 nan 0.000 0.529 582 L N 0.590 121.846 121.223 0.055 0.000 2.331 582 L HA 0.403 4.783 4.340 0.066 0.000 0.278 582 L C 1.600 178.484 176.870 0.023 0.000 1.106 582 L CA -0.608 54.254 54.840 0.036 0.000 0.824 582 L CB 0.981 43.061 42.059 0.034 0.000 1.142 582 L HN -0.068 nan 8.230 nan 0.000 0.443 583 K N 2.694 123.102 120.400 0.014 0.000 2.356 583 K HA 0.107 4.466 4.320 0.066 0.000 0.195 583 K C -0.096 176.497 176.600 -0.011 0.000 1.037 583 K CA 0.449 56.740 56.287 0.007 0.000 1.014 583 K CB 0.419 32.921 32.500 0.003 0.000 0.815 583 K HN 0.667 nan 8.250 nan 0.000 0.507 584 K N -0.400 119.989 120.400 -0.019 0.000 2.736 584 K HA 0.224 4.584 4.320 0.066 0.000 0.290 584 K C -2.085 174.495 176.600 -0.033 0.000 1.033 584 K CA -0.867 55.392 56.287 -0.046 0.000 0.852 584 K CB 1.163 33.617 32.500 -0.078 0.000 1.494 584 K HN -0.262 nan 8.250 nan 0.000 0.378 585 D N 1.410 121.784 120.400 -0.044 0.000 2.602 585 D HA 0.329 5.009 4.640 0.066 0.000 0.245 585 D C -2.246 174.035 176.300 -0.032 0.000 1.325 585 D CA -2.033 51.959 54.000 -0.013 0.000 0.952 585 D CB 2.287 43.100 40.800 0.021 0.000 1.317 585 D HN 0.258 nan 8.370 nan 0.000 0.577 586 P HA -0.054 nan 4.420 nan 0.000 0.226 586 P C 1.218 178.505 177.300 -0.021 0.000 1.153 586 P CA 0.657 63.725 63.100 -0.053 0.000 0.777 586 P CB 0.240 31.920 31.700 -0.033 0.000 0.794 587 S N -1.062 114.658 115.700 0.034 0.000 2.555 587 S HA -0.027 4.483 4.470 0.066 0.000 0.230 587 S C 1.601 176.277 174.600 0.127 0.000 0.978 587 S CA 0.652 58.907 58.200 0.092 0.000 0.934 587 S CB -1.343 61.939 63.200 0.137 0.000 0.766 587 S HN 0.140 nan 8.310 nan 0.000 0.533 588 L N 1.258 122.516 121.223 0.058 0.000 2.492 588 L HA 0.205 4.585 4.340 0.066 0.000 0.223 588 L C 1.455 178.210 176.870 -0.192 0.000 1.132 588 L CA 0.099 54.961 54.840 0.038 0.000 0.850 588 L CB -0.297 41.778 42.059 0.028 0.000 0.966 588 L HN 0.317 nan 8.230 nan 0.000 0.454 589 S N -0.347 115.226 115.700 -0.211 0.000 2.586 589 S HA 0.296 4.806 4.470 0.066 0.000 0.274 589 S C 1.071 175.532 174.600 -0.232 0.000 1.281 589 S CA -0.623 57.391 58.200 -0.311 0.000 1.035 589 S CB 1.292 64.316 63.200 -0.293 0.000 0.962 589 S HN 0.170 nan 8.310 nan 0.000 0.512 590 L N 3.209 124.208 121.223 -0.373 0.000 2.156 590 L HA 0.028 4.407 4.340 0.066 0.000 0.208 590 L C 0.867 177.433 176.870 -0.506 0.000 1.095 590 L CA 1.068 55.595 54.840 -0.522 0.000 0.770 590 L CB -0.272 41.190 42.059 -0.995 0.000 0.914 590 L HN 0.758 nan 8.230 nan 0.000 0.439 591 Y N -2.208 118.078 120.300 -0.023 0.000 2.432 591 Y HA 0.333 4.923 4.550 0.066 0.000 0.252 591 Y C 2.187 178.109 175.900 0.035 0.000 1.097 591 Y CA -0.123 58.020 58.100 0.071 0.000 1.250 591 Y CB -0.431 38.115 38.460 0.144 0.000 1.245 591 Y HN -0.046 nan 8.280 nan 0.000 0.522 592 A N 0.666 123.506 122.820 0.033 0.000 1.908 592 A HA -0.070 4.289 4.320 0.066 0.000 0.218 592 A C 0.956 178.572 177.584 0.053 0.000 1.181 592 A CA 1.142 53.178 52.037 -0.001 0.000 0.627 592 A CB -0.557 18.388 19.000 -0.092 0.000 0.818 592 A HN 0.169 nan 8.150 nan 0.000 0.445 593 I N 0.707 121.313 120.570 0.059 0.000 2.312 593 I HA 0.265 4.475 4.170 0.066 0.000 0.290 593 I C -2.619 173.565 176.117 0.112 0.000 1.008 593 I CA -2.358 58.986 61.300 0.074 0.000 1.226 593 I CB 0.584 38.617 38.000 0.056 0.000 1.371 593 I HN -0.009 nan 8.210 nan 0.000 0.468 594 P HA 0.031 nan 4.420 nan 0.000 0.262 594 P C -0.155 177.217 177.300 0.119 0.000 1.182 594 P CA 0.397 63.584 63.100 0.145 0.000 0.761 594 P CB 0.448 32.219 31.700 0.118 0.000 0.795 595 D N 1.077 121.557 120.400 0.133 0.000 2.822 595 D HA 0.108 4.788 4.640 0.066 0.000 0.327 595 D C 0.420 176.780 176.300 0.100 0.000 1.577 595 D CA -0.443 53.619 54.000 0.104 0.000 0.785 595 D CB -0.517 40.341 40.800 0.097 0.000 1.199 595 D HN 0.320 nan 8.370 nan 0.000 0.443 596 G N 0.113 108.980 108.800 0.111 0.000 2.491 596 G HA2 0.354 4.354 3.960 0.066 0.000 0.238 596 G HA3 0.354 4.354 3.960 0.066 0.000 0.238 596 G C -0.628 174.310 174.900 0.063 0.000 1.277 596 G CA -0.015 45.145 45.100 0.099 0.000 0.851 596 G HN 0.184 nan 8.290 nan 0.000 0.573 597 D N 0.759 121.190 120.400 0.050 0.000 2.602 597 D HA 0.167 4.846 4.640 0.066 0.000 0.245 597 D C 0.959 177.271 176.300 0.020 0.000 1.325 597 D CA -0.574 53.442 54.000 0.026 0.000 0.952 597 D CB 1.643 42.452 40.800 0.015 0.000 1.317 597 D HN 0.281 nan 8.370 nan 0.000 0.577 598 V N 1.878 121.798 119.914 0.009 0.000 3.306 598 V HA 0.206 4.366 4.120 0.066 0.000 0.264 598 V C 1.054 177.131 176.094 -0.028 0.000 1.149 598 V CA 0.162 62.463 62.300 0.001 0.000 1.143 598 V CB -0.754 31.064 31.823 -0.008 0.000 0.767 598 V HN 0.398 nan 8.190 nan 0.000 0.476 599 K N 1.260 121.635 120.400 -0.041 0.000 2.451 599 K HA 0.376 4.736 4.320 0.066 0.000 0.280 599 K C 1.268 177.826 176.600 -0.070 0.000 1.020 599 K CA 1.086 57.326 56.287 -0.078 0.000 1.008 599 K CB 0.151 32.611 32.500 -0.066 0.000 0.917 599 K HN 0.678 nan 8.250 nan 0.000 0.478 600 G N 3.134 111.859 108.800 -0.125 0.000 2.241 600 G HA2 -0.228 3.772 3.960 0.066 0.000 0.244 600 G HA3 -0.228 3.772 3.960 0.066 0.000 0.244 600 G C 0.123 175.068 174.900 0.075 0.000 0.998 600 G CA -0.120 44.982 45.100 0.003 0.000 0.621 600 G HN 0.588 nan 8.290 nan 0.000 0.519 601 R N -0.074 120.439 120.500 0.022 0.000 2.738 601 R HA 0.641 5.021 4.340 0.066 0.000 0.275 601 R C 0.063 176.420 176.300 0.094 0.000 1.121 601 R CA 0.127 56.270 56.100 0.071 0.000 1.207 601 R CB 0.839 31.173 30.300 0.056 0.000 1.141 601 R HN 0.707 nan 8.270 nan 0.000 0.571 602 V N 0.376 120.363 119.914 0.122 0.000 2.841 602 V HA 0.430 4.589 4.120 0.066 0.000 0.310 602 V C -1.053 175.106 176.094 0.110 0.000 1.090 602 V CA -0.751 61.636 62.300 0.145 0.000 0.930 602 V CB 2.488 34.421 31.823 0.183 0.000 1.014 602 V HN 0.360 nan 8.190 nan 0.000 0.425 603 V N 5.489 125.462 119.914 0.099 0.000 2.581 603 V HA 0.826 4.986 4.120 0.066 0.000 0.303 603 V C 0.491 176.642 176.094 0.094 0.000 1.041 603 V CA -0.122 62.226 62.300 0.080 0.000 0.907 603 V CB 1.787 33.643 31.823 0.054 0.000 0.994 603 V HN 1.192 nan 8.190 nan 0.000 0.442 604 A N 5.790 128.671 122.820 0.102 0.000 2.331 604 A HA 0.781 5.140 4.320 0.066 0.000 0.283 604 A C -0.488 177.105 177.584 0.016 0.000 1.142 604 A CA -0.309 51.774 52.037 0.077 0.000 0.812 604 A CB 0.165 19.237 19.000 0.120 0.000 1.074 604 A HN 0.748 nan 8.150 nan 0.000 0.497 605 I N 3.383 123.958 120.570 0.008 0.000 2.382 605 I HA 0.209 4.419 4.170 0.066 0.000 0.286 605 I C -0.696 175.423 176.117 0.003 0.000 1.002 605 I CA -0.248 61.057 61.300 0.008 0.000 1.135 605 I CB 1.419 39.437 38.000 0.029 0.000 1.288 605 I HN 0.492 nan 8.210 nan 0.000 0.448 606 L N 7.214 128.424 121.223 -0.021 0.000 2.295 606 L HA 0.402 4.781 4.340 0.066 0.000 0.288 606 L C 0.098 177.064 176.870 0.161 0.000 1.079 606 L CA -0.408 54.477 54.840 0.076 0.000 0.830 606 L CB 0.259 42.227 42.059 -0.152 0.000 1.200 606 L HN 0.429 nan 8.230 nan 0.000 0.438 607 L N 3.498 124.855 121.223 0.223 0.000 2.472 607 L HA 0.218 4.597 4.340 0.066 0.000 0.260 607 L C 0.225 177.273 176.870 0.296 0.000 1.209 607 L CA -0.261 54.670 54.840 0.152 0.000 0.817 607 L CB 0.607 42.651 42.059 -0.024 0.000 1.106 607 L HN 0.712 nan 8.230 nan 0.000 0.479 608 N N -1.875 116.902 118.700 0.129 0.000 2.469 608 N HA 0.225 5.004 4.740 0.066 0.000 0.286 608 N C -0.207 175.272 175.510 -0.052 0.000 1.275 608 N CA -0.786 52.378 53.050 0.190 0.000 0.790 608 N CB 0.806 39.400 38.487 0.177 0.000 1.446 608 N HN 0.546 nan 8.380 nan 0.000 0.501 609 D N -1.784 118.625 120.400 0.015 0.000 2.378 609 D HA -0.084 4.596 4.640 0.066 0.000 0.227 609 D C -0.295 175.967 176.300 -0.064 0.000 1.012 609 D CA 0.816 54.763 54.000 -0.089 0.000 0.905 609 D CB -0.058 40.766 40.800 0.039 0.000 0.895 609 D HN 0.740 nan 8.370 nan 0.000 0.532 610 E N 0.337 120.518 120.200 -0.031 0.000 3.626 610 E HA 0.243 4.633 4.350 0.066 0.000 0.245 610 E C -1.234 175.351 176.600 -0.025 0.000 1.236 610 E CA -0.468 55.914 56.400 -0.030 0.000 1.072 610 E CB 0.702 30.395 29.700 -0.013 0.000 1.309 610 E HN -0.116 nan 8.360 nan 0.000 0.400 611 V N 2.514 122.404 119.914 -0.040 0.000 2.694 611 V HA -0.015 4.145 4.120 0.066 0.000 0.306 611 V C 0.949 177.027 176.094 -0.027 0.000 1.054 611 V CA 0.378 62.661 62.300 -0.028 0.000 1.161 611 V CB 0.665 32.465 31.823 -0.038 0.000 0.916 611 V HN 0.540 nan 8.190 nan 0.000 0.490 612 R N 3.566 124.051 120.500 -0.025 0.000 2.413 612 R HA 0.023 4.403 4.340 0.066 0.000 0.333 612 R C 1.630 177.909 176.300 -0.036 0.000 1.074 612 R CA 0.514 56.595 56.100 -0.032 0.000 0.982 612 R CB 0.270 30.546 30.300 -0.040 0.000 0.981 612 R HN 1.018 nan 8.270 nan 0.000 0.452 613 S N 3.376 119.056 115.700 -0.033 0.000 2.400 613 S HA -0.220 4.290 4.470 0.066 0.000 0.232 613 S C 1.953 176.534 174.600 -0.032 0.000 1.025 613 S CA 0.974 59.155 58.200 -0.031 0.000 0.993 613 S CB -0.082 63.102 63.200 -0.027 0.000 0.808 613 S HN 0.687 nan 8.310 nan 0.000 0.478 614 A N 2.251 125.049 122.820 -0.037 0.000 1.902 614 A HA -0.107 4.253 4.320 0.066 0.000 0.217 614 A C 1.987 179.537 177.584 -0.056 0.000 1.181 614 A CA 1.685 53.697 52.037 -0.042 0.000 0.623 614 A CB -0.913 18.061 19.000 -0.043 0.000 0.818 614 A HN 0.490 nan 8.150 nan 0.000 0.443 615 D N -0.515 119.841 120.400 -0.072 0.000 2.097 615 D HA -0.127 4.552 4.640 0.066 0.000 0.195 615 D C 1.831 178.093 176.300 -0.063 0.000 0.989 615 D CA 1.264 55.203 54.000 -0.102 0.000 0.827 615 D CB -0.370 40.358 40.800 -0.121 0.000 0.966 615 D HN 0.330 nan 8.370 nan 0.000 0.456 616 L N 0.233 121.432 121.223 -0.039 0.000 2.056 616 L HA -0.070 4.310 4.340 0.066 0.000 0.207 616 L C 2.067 178.931 176.870 -0.010 0.000 1.078 616 L CA 1.054 55.884 54.840 -0.017 0.000 0.749 616 L CB -0.573 41.476 42.059 -0.016 0.000 0.901 616 L HN -0.035 nan 8.230 nan 0.000 0.433 617 L N -0.118 121.095 121.223 -0.016 0.000 2.013 617 L HA -0.230 4.150 4.340 0.066 0.000 0.212 617 L C 2.572 179.439 176.870 -0.005 0.000 1.073 617 L CA 2.272 57.106 54.840 -0.011 0.000 0.753 617 L CB -1.177 40.873 42.059 -0.015 0.000 0.890 617 L HN 0.361 nan 8.230 nan 0.000 0.432 618 A N -1.236 121.577 122.820 -0.012 0.000 1.968 618 A HA -0.095 4.265 4.320 0.066 0.000 0.217 618 A C 2.260 179.858 177.584 0.023 0.000 1.169 618 A CA 1.434 53.471 52.037 -0.001 0.000 0.638 618 A CB -0.623 18.366 19.000 -0.018 0.000 0.812 618 A HN 0.427 nan 8.150 nan 0.000 0.446 619 I N -0.280 120.304 120.570 0.024 0.000 2.142 619 I HA -0.251 3.959 4.170 0.066 0.000 0.240 619 I C 2.311 178.455 176.117 0.044 0.000 1.078 619 I CA 1.227 62.562 61.300 0.059 0.000 1.343 619 I CB -0.337 37.701 38.000 0.064 0.000 1.046 619 I HN 0.264 nan 8.210 nan 0.000 0.405 620 L N 0.526 121.766 121.223 0.028 0.000 2.141 620 L HA -0.197 4.182 4.340 0.066 0.000 0.209 620 L C 2.594 179.474 176.870 0.018 0.000 1.094 620 L CA 1.213 56.067 54.840 0.024 0.000 0.763 620 L CB -0.569 41.501 42.059 0.019 0.000 0.908 620 L HN 0.253 nan 8.230 nan 0.000 0.437 621 K N 0.717 121.126 120.400 0.016 0.000 2.057 621 K HA -0.164 4.196 4.320 0.066 0.000 0.206 621 K C 2.164 178.771 176.600 0.012 0.000 1.050 621 K CA 1.355 57.648 56.287 0.011 0.000 0.935 621 K CB -0.069 32.437 32.500 0.009 0.000 0.715 621 K HN 0.227 nan 8.250 nan 0.000 0.439 622 A N 1.343 124.175 122.820 0.021 0.000 1.898 622 A HA -0.072 4.288 4.320 0.066 0.000 0.216 622 A C 2.127 179.716 177.584 0.008 0.000 1.181 622 A CA 1.158 53.207 52.037 0.021 0.000 0.620 622 A CB -0.586 18.439 19.000 0.041 0.000 0.819 622 A HN 0.314 nan 8.150 nan 0.000 0.442 623 L N -0.464 120.764 121.223 0.009 0.000 2.017 623 L HA -0.220 4.160 4.340 0.066 0.000 0.208 623 L C 2.674 179.525 176.870 -0.031 0.000 1.073 623 L CA 1.992 56.826 54.840 -0.010 0.000 0.745 623 L CB -0.554 41.507 42.059 0.003 0.000 0.894 623 L HN 0.464 nan 8.230 nan 0.000 0.432 624 K N 0.664 121.054 120.400 -0.016 0.000 2.063 624 K HA -0.229 4.131 4.320 0.066 0.000 0.208 624 K C 2.079 178.661 176.600 -0.029 0.000 1.048 624 K CA 1.576 57.850 56.287 -0.022 0.000 0.928 624 K CB -0.113 32.385 32.500 -0.003 0.000 0.713 624 K HN 0.286 nan 8.250 nan 0.000 0.442 625 A N 1.068 123.877 122.820 -0.018 0.000 2.024 625 A HA -0.126 4.233 4.320 0.066 0.000 0.220 625 A C 1.606 179.173 177.584 -0.027 0.000 1.164 625 A CA 1.439 53.465 52.037 -0.017 0.000 0.643 625 A CB -0.081 18.915 19.000 -0.007 0.000 0.806 625 A HN 0.199 nan 8.150 nan 0.000 0.451 626 K N -1.782 118.595 120.400 -0.039 0.000 2.387 626 K HA 0.231 4.590 4.320 0.066 0.000 0.203 626 K C 0.870 177.422 176.600 -0.081 0.000 1.030 626 K CA 0.594 56.853 56.287 -0.047 0.000 1.099 626 K CB 0.288 32.766 32.500 -0.036 0.000 0.863 626 K HN 0.701 nan 8.250 nan 0.000 0.529 627 G N 1.756 110.490 108.800 -0.111 0.000 2.176 627 G HA2 -0.231 3.769 3.960 0.066 0.000 0.252 627 G HA3 -0.231 3.769 3.960 0.066 0.000 0.252 627 G C 0.060 174.758 174.900 -0.337 0.000 1.024 627 G CA 0.245 45.229 45.100 -0.192 0.000 0.755 627 G HN 0.100 nan 8.290 nan 0.000 0.507 628 V N 2.513 122.277 119.914 -0.251 0.000 2.432 628 V HA 0.421 4.581 4.120 0.066 0.000 0.275 628 V C 0.800 176.746 176.094 -0.247 0.000 1.043 628 V CA -1.094 61.058 62.300 -0.246 0.000 0.925 628 V CB 1.067 32.834 31.823 -0.094 0.000 0.985 628 V HN 0.366 nan 8.190 nan 0.000 0.466 629 H N 2.607 121.689 119.070 0.019 0.000 2.508 629 H HA 0.760 5.355 4.556 0.066 0.000 0.358 629 H C 0.135 175.483 175.328 0.033 0.000 1.212 629 H CA -0.164 55.898 56.048 0.023 0.000 1.356 629 H CB 1.769 31.546 29.762 0.026 0.000 1.525 629 H HN 0.761 nan 8.280 nan 0.000 0.578 630 A N 1.368 124.293 122.820 0.175 0.000 2.414 630 A HA 0.520 4.880 4.320 0.066 0.000 0.306 630 A C -0.676 176.964 177.584 0.094 0.000 1.054 630 A CA -0.933 51.169 52.037 0.109 0.000 0.724 630 A CB 1.372 20.417 19.000 0.075 0.000 1.267 630 A HN 0.743 nan 8.150 nan 0.000 0.418 631 K N 2.438 122.887 120.400 0.083 0.000 2.376 631 K HA 0.693 5.052 4.320 0.066 0.000 0.257 631 K C -1.560 175.070 176.600 0.049 0.000 0.939 631 K CA -0.515 55.812 56.287 0.067 0.000 0.809 631 K CB 1.400 33.950 32.500 0.083 0.000 1.121 631 K HN 0.516 nan 8.250 nan 0.000 0.425 632 L N 5.092 126.334 121.223 0.031 0.000 2.260 632 L HA 0.385 4.765 4.340 0.066 0.000 0.289 632 L C -0.433 176.442 176.870 0.008 0.000 1.057 632 L CA -0.777 54.074 54.840 0.017 0.000 0.811 632 L CB 0.290 42.350 42.059 0.002 0.000 1.184 632 L HN 0.515 nan 8.230 nan 0.000 0.429 633 L N 3.635 124.867 121.223 0.014 0.000 2.330 633 L HA 0.613 4.992 4.340 0.066 0.000 0.271 633 L C -0.832 175.971 176.870 -0.111 0.000 1.013 633 L CA -0.762 54.052 54.840 -0.044 0.000 0.816 633 L CB 2.001 44.060 42.059 0.000 0.000 1.287 633 L HN 0.426 nan 8.230 nan 0.000 0.435 634 Y N -0.470 119.421 120.300 -0.681 0.000 2.840 634 Y HA 0.179 4.768 4.550 0.066 0.000 0.324 634 Y C 0.724 175.855 175.900 -1.283 0.000 1.378 634 Y CA -0.738 56.844 58.100 -0.862 0.000 1.077 634 Y CB 1.535 39.807 38.460 -0.314 0.000 1.361 634 Y HN 0.541 nan 8.280 nan 0.000 0.459 635 S N 0.714 115.506 115.700 -1.513 0.000 2.593 635 S HA 0.260 4.770 4.470 0.066 0.000 0.217 635 S C 0.029 174.345 174.600 -0.474 0.000 0.966 635 S CA 0.326 58.015 58.200 -0.851 0.000 0.914 635 S CB -0.270 62.583 63.200 -0.579 0.000 0.776 635 S HN 0.612 nan 8.310 nan 0.000 0.523 636 R N -1.269 119.020 120.500 -0.352 0.000 2.766 636 R HA 0.636 5.016 4.340 0.066 0.000 0.270 636 R C -0.862 175.426 176.300 -0.021 0.000 1.035 636 R CA -1.123 54.907 56.100 -0.117 0.000 0.911 636 R CB 0.495 30.770 30.300 -0.041 0.000 1.243 636 R HN -0.068 nan 8.270 nan 0.000 0.460 637 M N -0.033 119.563 119.600 -0.008 0.000 2.336 637 M HA 0.563 5.083 4.480 0.066 0.000 0.256 637 M C 0.922 177.238 176.300 0.026 0.000 1.176 637 M CA 0.710 56.013 55.300 0.006 0.000 0.948 637 M CB 0.628 33.224 32.600 -0.007 0.000 1.393 637 M HN 1.053 nan 8.290 nan 0.000 0.528 638 G N 0.822 109.629 108.800 0.011 0.000 2.594 638 G HA2 -0.120 3.880 3.960 0.066 0.000 0.217 638 G HA3 -0.120 3.880 3.960 0.066 0.000 0.217 638 G C -0.970 173.924 174.900 -0.009 0.000 1.163 638 G CA -0.537 44.567 45.100 0.006 0.000 1.074 638 G HN 0.620 nan 8.290 nan 0.000 0.589 639 E N -0.971 119.216 120.200 -0.021 0.000 2.369 639 E HA 0.635 5.024 4.350 0.066 0.000 0.270 639 E C -0.325 176.214 176.600 -0.102 0.000 0.909 639 E CA -0.513 55.854 56.400 -0.055 0.000 0.775 639 E CB 2.930 32.605 29.700 -0.042 0.000 1.270 639 E HN 1.225 nan 8.360 nan 0.000 0.445 640 V N -1.797 118.020 119.914 -0.161 0.000 3.074 640 V HA 0.732 4.892 4.120 0.066 0.000 0.314 640 V C -0.487 175.526 176.094 -0.136 0.000 1.117 640 V CA -0.682 61.493 62.300 -0.208 0.000 1.014 640 V CB 1.984 33.556 31.823 -0.418 0.000 1.057 640 V HN 0.616 nan 8.190 nan 0.000 0.438 641 T N 2.238 116.727 114.554 -0.109 0.000 2.797 641 T HA 0.794 5.184 4.350 0.066 0.000 0.279 641 T C 0.293 174.951 174.700 -0.070 0.000 0.991 641 T CA 0.272 62.328 62.100 -0.073 0.000 0.979 641 T CB 1.455 70.293 68.868 -0.050 0.000 0.943 641 T HN 1.351 nan 8.240 nan 0.000 0.444 642 A N 2.082 124.867 122.820 -0.058 0.000 2.267 642 A HA 0.370 4.730 4.320 0.066 0.000 0.271 642 A C 1.562 179.124 177.584 -0.037 0.000 1.131 642 A CA -0.284 51.724 52.037 -0.049 0.000 0.818 642 A CB 0.023 18.997 19.000 -0.042 0.000 1.118 642 A HN 0.909 nan 8.150 nan 0.000 0.501 643 D N -0.315 120.067 120.400 -0.031 0.000 2.221 643 D HA -0.187 4.493 4.640 0.066 0.000 0.204 643 D C 0.540 176.827 176.300 -0.022 0.000 0.982 643 D CA 1.571 55.556 54.000 -0.025 0.000 0.857 643 D CB -0.260 40.526 40.800 -0.022 0.000 0.934 643 D HN 0.579 nan 8.370 nan 0.000 0.475 644 D N -1.598 118.788 120.400 -0.023 0.000 2.368 644 D HA 0.220 4.900 4.640 0.066 0.000 0.218 644 D C 1.585 177.874 176.300 -0.020 0.000 1.112 644 D CA 0.294 54.282 54.000 -0.020 0.000 0.834 644 D CB -0.012 40.776 40.800 -0.019 0.000 0.953 644 D HN 0.340 nan 8.370 nan 0.000 0.505 645 G N -0.103 108.683 108.800 -0.022 0.000 2.195 645 G HA2 -0.265 3.735 3.960 0.066 0.000 0.246 645 G HA3 -0.265 3.735 3.960 0.066 0.000 0.246 645 G C 0.428 175.314 174.900 -0.024 0.000 0.984 645 G CA 0.226 45.313 45.100 -0.022 0.000 0.633 645 G HN 0.428 nan 8.290 nan 0.000 0.525 646 T N 1.663 116.202 114.554 -0.026 0.000 2.853 646 T HA 0.418 4.808 4.350 0.066 0.000 0.298 646 T C 0.699 175.379 174.700 -0.033 0.000 0.978 646 T CA 0.098 62.183 62.100 -0.026 0.000 1.152 646 T CB 1.930 70.783 68.868 -0.025 0.000 0.914 646 T HN 0.443 nan 8.240 nan 0.000 0.539 647 V N 6.093 125.989 119.914 -0.030 0.000 2.488 647 V HA 0.255 4.415 4.120 0.066 0.000 0.277 647 V C 0.277 176.347 176.094 -0.040 0.000 1.046 647 V CA -0.410 61.868 62.300 -0.037 0.000 0.986 647 V CB 0.510 32.315 31.823 -0.029 0.000 0.989 647 V HN 0.684 nan 8.190 nan 0.000 0.475 648 L N 8.320 129.510 121.223 -0.056 0.000 2.295 648 L HA 0.447 4.827 4.340 0.066 0.000 0.281 648 L C -2.339 174.497 176.870 -0.057 0.000 1.018 648 L CA -1.776 53.030 54.840 -0.056 0.000 0.841 648 L CB 1.793 43.807 42.059 -0.075 0.000 1.218 648 L HN 0.442 nan 8.230 nan 0.000 0.424 649 P HA 0.237 nan 4.420 nan 0.000 0.275 649 P C -0.524 176.758 177.300 -0.029 0.000 1.228 649 P CA -0.101 62.981 63.100 -0.029 0.000 0.786 649 P CB 1.061 32.752 31.700 -0.015 0.000 0.927 650 I N 1.618 122.173 120.570 -0.025 0.000 2.336 650 I HA 0.260 4.469 4.170 0.066 0.000 0.292 650 I C 1.460 177.571 176.117 -0.009 0.000 0.991 650 I CA -0.443 60.846 61.300 -0.019 0.000 1.227 650 I CB 1.567 39.563 38.000 -0.006 0.000 1.366 650 I HN 0.362 nan 8.210 nan 0.000 0.466 651 A N 5.293 128.111 122.820 -0.004 0.000 1.929 651 A HA 0.529 4.889 4.320 0.066 0.000 0.216 651 A C 0.966 178.552 177.584 0.005 0.000 1.176 651 A CA 1.305 53.346 52.037 0.006 0.000 0.628 651 A CB 0.002 19.014 19.000 0.020 0.000 0.816 651 A HN 0.828 nan 8.150 nan 0.000 0.444 652 A N -2.254 120.561 122.820 -0.008 0.000 2.567 652 A HA 0.551 4.910 4.320 0.066 0.000 0.291 652 A C -0.050 177.494 177.584 -0.066 0.000 1.048 652 A CA 0.043 52.073 52.037 -0.011 0.000 0.661 652 A CB -0.329 18.690 19.000 0.031 0.000 1.288 652 A HN 0.813 nan 8.150 nan 0.000 0.424 653 T N -1.388 113.118 114.554 -0.081 0.000 2.816 653 T HA 0.555 4.945 4.350 0.066 0.000 0.282 653 T C 1.025 175.672 174.700 -0.088 0.000 0.993 653 T CA 0.159 62.140 62.100 -0.198 0.000 0.994 653 T CB 0.046 68.829 68.868 -0.141 0.000 1.025 653 T HN 0.495 nan 8.240 nan 0.000 0.529 654 F N 0.532 120.507 119.950 0.042 0.000 2.120 654 F HA -0.054 4.512 4.527 0.066 0.000 0.300 654 F C 2.995 178.936 175.800 0.234 0.000 1.095 654 F CA 1.101 59.180 58.000 0.132 0.000 1.249 654 F CB -0.715 38.339 39.000 0.090 0.000 0.995 654 F HN 0.709 nan 8.300 nan 0.000 0.480 655 A N 0.315 123.306 122.820 0.286 0.000 1.929 655 A HA -0.004 4.356 4.320 0.066 0.000 0.216 655 A C 2.440 180.096 177.584 0.120 0.000 1.176 655 A CA 1.534 53.676 52.037 0.174 0.000 0.628 655 A CB -1.470 17.590 19.000 0.101 0.000 0.816 655 A HN 0.396 nan 8.150 nan 0.000 0.444 656 G N -1.037 107.820 108.800 0.095 0.000 2.448 656 G HA2 0.289 4.289 3.960 0.066 0.000 0.218 656 G HA3 0.289 4.289 3.960 0.066 0.000 0.218 656 G C 0.600 175.553 174.900 0.088 0.000 1.135 656 G CA 0.982 46.121 45.100 0.065 0.000 0.784 656 G HN 1.099 nan 8.290 nan 0.000 0.543 657 A N 0.800 123.710 122.820 0.150 0.000 2.893 657 A HA 0.709 5.069 4.320 0.066 0.000 0.333 657 A C -2.737 175.002 177.584 0.258 0.000 1.152 657 A CA -1.151 50.987 52.037 0.169 0.000 0.782 657 A CB 1.581 20.679 19.000 0.163 0.000 1.108 657 A HN 0.079 nan 8.150 nan 0.000 0.469 658 P HA 0.149 nan 4.420 nan 0.000 0.275 658 P C 1.322 178.425 177.300 -0.329 0.000 1.266 658 P CA -0.037 62.990 63.100 -0.122 0.000 0.793 658 P CB 0.839 32.465 31.700 -0.124 0.000 1.074 659 S N 0.047 115.202 115.700 -0.909 0.000 2.469 659 S HA -0.121 4.388 4.470 0.066 0.000 0.238 659 S C 1.792 176.243 174.600 -0.248 0.000 0.998 659 S CA 0.909 58.732 58.200 -0.628 0.000 0.957 659 S CB -1.382 61.377 63.200 -0.735 0.000 0.764 659 S HN 0.316 nan 8.310 nan 0.000 0.514 660 L N 1.830 122.910 121.223 -0.239 0.000 2.089 660 L HA -0.116 4.264 4.340 0.066 0.000 0.213 660 L C 2.928 179.614 176.870 -0.307 0.000 1.079 660 L CA 1.737 56.427 54.840 -0.249 0.000 0.758 660 L CB -1.602 40.285 42.059 -0.288 0.000 0.891 660 L HN 0.633 nan 8.230 nan 0.000 0.433 661 T N -2.993 111.447 114.554 -0.191 0.000 3.129 661 T HA 0.258 4.647 4.350 0.066 0.000 0.251 661 T C 0.302 175.079 174.700 0.129 0.000 1.117 661 T CA 0.147 62.205 62.100 -0.070 0.000 1.034 661 T CB -0.448 68.481 68.868 0.103 0.000 0.968 661 T HN 0.183 nan 8.240 nan 0.000 0.526 662 V N -3.199 116.755 119.914 0.067 0.000 3.158 662 V HA 0.593 4.753 4.120 0.066 0.000 0.311 662 V C -0.297 175.838 176.094 0.068 0.000 1.181 662 V CA -0.963 61.408 62.300 0.120 0.000 1.054 662 V CB 2.097 34.011 31.823 0.152 0.000 1.085 662 V HN -0.025 nan 8.190 nan 0.000 0.446 663 D N 0.740 121.182 120.400 0.069 0.000 2.392 663 D HA 0.550 5.229 4.640 0.066 0.000 0.206 663 D C 0.503 176.783 176.300 -0.033 0.000 1.046 663 D CA 1.455 55.469 54.000 0.023 0.000 0.865 663 D CB 1.566 42.403 40.800 0.061 0.000 0.969 663 D HN 1.052 nan 8.370 nan 0.000 0.509 664 A N 0.044 122.863 122.820 -0.001 0.000 2.583 664 A HA 0.500 4.860 4.320 0.066 0.000 0.292 664 A C -1.638 175.962 177.584 0.028 0.000 1.045 664 A CA -0.572 51.453 52.037 -0.021 0.000 0.672 664 A CB 1.235 20.210 19.000 -0.043 0.000 1.283 664 A HN -0.118 nan 8.150 nan 0.000 0.419 665 V N 1.365 121.289 119.914 0.017 0.000 2.588 665 V HA 0.618 4.777 4.120 0.066 0.000 0.304 665 V C -0.585 175.511 176.094 0.003 0.000 1.042 665 V CA -0.267 62.053 62.300 0.033 0.000 0.877 665 V CB 1.585 33.446 31.823 0.063 0.000 0.996 665 V HN 0.715 nan 8.190 nan 0.000 0.425 666 I N 3.978 124.556 120.570 0.013 0.000 2.509 666 I HA 0.572 4.782 4.170 0.066 0.000 0.293 666 I C -0.903 175.232 176.117 0.030 0.000 1.020 666 I CA -0.969 60.365 61.300 0.057 0.000 1.088 666 I CB 2.361 40.426 38.000 0.108 0.000 1.267 666 I HN 0.285 nan 8.210 nan 0.000 0.430 667 V N 7.347 127.295 119.914 0.057 0.000 2.349 667 V HA 0.340 4.500 4.120 0.066 0.000 0.284 667 V C -2.117 174.025 176.094 0.080 0.000 1.014 667 V CA -1.534 60.783 62.300 0.029 0.000 0.826 667 V CB 1.263 33.067 31.823 -0.032 0.000 1.009 667 V HN 0.563 nan 8.190 nan 0.000 0.431 668 P HA 0.381 nan 4.420 nan 0.000 0.276 668 P C -0.127 177.185 177.300 0.021 0.000 1.261 668 P CA -0.139 62.969 63.100 0.013 0.000 0.800 668 P CB 1.223 32.922 31.700 -0.001 0.000 1.066 669 A N 0.068 122.877 122.820 -0.018 0.000 2.251 669 A HA 0.677 5.037 4.320 0.066 0.000 0.278 669 A C 0.824 178.411 177.584 0.005 0.000 1.206 669 A CA 0.605 52.639 52.037 -0.004 0.000 0.822 669 A CB -0.844 18.135 19.000 -0.035 0.000 1.187 669 A HN 0.867 nan 8.150 nan 0.000 0.504 670 G N -0.632 108.172 108.800 0.006 0.000 2.217 670 G HA2 -0.006 3.994 3.960 0.066 0.000 0.173 670 G HA3 -0.006 3.994 3.960 0.066 0.000 0.173 670 G C -0.409 174.501 174.900 0.016 0.000 1.324 670 G CA 0.052 45.156 45.100 0.006 0.000 1.225 670 G HN 1.128 nan 8.290 nan 0.000 0.494 671 N N 1.961 120.677 118.700 0.026 0.000 3.050 671 N HA 0.252 5.032 4.740 0.066 0.000 0.289 671 N C 1.761 177.307 175.510 0.059 0.000 1.209 671 N CA -0.363 52.708 53.050 0.034 0.000 1.154 671 N CB -0.315 38.194 38.487 0.036 0.000 1.444 671 N HN 0.398 nan 8.380 nan 0.000 0.529 672 I N 0.696 121.293 120.570 0.045 0.000 2.361 672 I HA -0.223 3.987 4.170 0.066 0.000 0.251 672 I C 2.031 178.161 176.117 0.022 0.000 1.133 672 I CA 0.722 62.054 61.300 0.053 0.000 1.413 672 I CB -1.378 36.629 38.000 0.012 0.000 1.073 672 I HN 0.440 nan 8.210 nan 0.000 0.424 673 A N 0.627 123.447 122.820 0.001 0.000 2.032 673 A HA -0.294 4.066 4.320 0.066 0.000 0.221 673 A C 2.071 179.675 177.584 0.032 0.000 1.165 673 A CA 2.145 54.178 52.037 -0.007 0.000 0.645 673 A CB -0.750 18.247 19.000 -0.006 0.000 0.807 673 A HN 0.439 nan 8.150 nan 0.000 0.453 674 D N 0.232 120.676 120.400 0.074 0.000 2.149 674 D HA -0.154 4.525 4.640 0.066 0.000 0.198 674 D C 1.524 177.908 176.300 0.140 0.000 0.990 674 D CA 1.784 55.856 54.000 0.119 0.000 0.839 674 D CB -0.192 40.715 40.800 0.178 0.000 0.948 674 D HN 0.669 nan 8.370 nan 0.000 0.460 675 I N -4.266 116.402 120.570 0.163 0.000 4.227 675 I HA 0.486 4.696 4.170 0.066 0.000 0.334 675 I C 1.865 178.096 176.117 0.190 0.000 1.341 675 I CA -0.086 61.334 61.300 0.199 0.000 1.123 675 I CB 0.135 38.303 38.000 0.280 0.000 1.097 675 I HN -0.100 nan 8.210 nan 0.000 0.399 676 A N 1.700 124.544 122.820 0.040 0.000 1.948 676 A HA -0.187 4.173 4.320 0.066 0.000 0.220 676 A C 1.524 179.062 177.584 -0.077 0.000 1.177 676 A CA 2.195 54.117 52.037 -0.192 0.000 0.636 676 A CB -0.503 18.336 19.000 -0.268 0.000 0.815 676 A HN 0.533 nan 8.150 nan 0.000 0.449 677 D N -0.696 119.701 120.400 -0.005 0.000 2.424 677 D HA 0.043 4.723 4.640 0.066 0.000 0.220 677 D C -0.060 176.265 176.300 0.043 0.000 1.150 677 D CA -0.196 53.810 54.000 0.010 0.000 0.831 677 D CB -0.224 40.574 40.800 -0.003 0.000 0.981 677 D HN 0.356 nan 8.370 nan 0.000 0.500 678 N N 1.025 119.768 118.700 0.072 0.000 2.411 678 N HA 0.041 4.820 4.740 0.066 0.000 0.259 678 N C 1.360 176.906 175.510 0.061 0.000 1.103 678 N CA 0.012 53.103 53.050 0.068 0.000 0.954 678 N CB 1.530 40.071 38.487 0.089 0.000 1.085 678 N HN 0.008 nan 8.380 nan 0.000 0.485 679 G N 3.324 112.158 108.800 0.057 0.000 2.440 679 G HA2 -0.259 3.741 3.960 0.066 0.000 0.218 679 G HA3 -0.259 3.741 3.960 0.066 0.000 0.218 679 G C 0.956 175.905 174.900 0.082 0.000 1.154 679 G CA 0.576 45.712 45.100 0.059 0.000 0.767 679 G HN 0.597 nan 8.290 nan 0.000 0.552 680 D N 0.829 121.283 120.400 0.090 0.000 2.144 680 D HA 0.026 4.705 4.640 0.066 0.000 0.200 680 D C 2.806 179.111 176.300 0.007 0.000 0.978 680 D CA 1.130 55.214 54.000 0.140 0.000 0.833 680 D CB -0.425 40.529 40.800 0.255 0.000 0.961 680 D HN 0.300 nan 8.370 nan 0.000 0.470 681 A N 0.986 123.636 122.820 -0.284 0.000 1.898 681 A HA -0.179 4.180 4.320 0.066 0.000 0.216 681 A C 2.026 179.422 177.584 -0.313 0.000 1.181 681 A CA 1.200 52.835 52.037 -0.670 0.000 0.620 681 A CB -0.445 18.106 19.000 -0.747 0.000 0.819 681 A HN 0.144 nan 8.150 nan 0.000 0.442 682 N N -1.518 117.146 118.700 -0.060 0.000 2.084 682 N HA -0.178 4.601 4.740 0.066 0.000 0.190 682 N C 1.696 177.211 175.510 0.009 0.000 1.030 682 N CA 1.752 54.823 53.050 0.034 0.000 0.849 682 N CB -0.436 38.131 38.487 0.133 0.000 1.012 682 N HN 0.685 nan 8.380 nan 0.000 0.423 683 Y N 0.525 120.799 120.300 -0.044 0.000 2.224 683 Y HA -0.273 4.316 4.550 0.066 0.000 0.289 683 Y C 2.398 178.258 175.900 -0.067 0.000 1.146 683 Y CA 1.274 59.344 58.100 -0.051 0.000 1.182 683 Y CB -0.362 38.074 38.460 -0.041 0.000 0.983 683 Y HN 0.030 nan 8.280 nan 0.000 0.524 684 Y N 0.466 120.652 120.300 -0.191 0.000 2.114 684 Y HA -0.335 4.255 4.550 0.066 0.000 0.282 684 Y C 2.057 177.767 175.900 -0.316 0.000 1.165 684 Y CA 2.168 60.123 58.100 -0.240 0.000 1.148 684 Y CB -0.512 37.805 38.460 -0.238 0.000 0.972 684 Y HN 0.133 nan 8.280 nan 0.000 0.504 685 L N -1.259 119.904 121.223 -0.099 0.000 2.109 685 L HA -0.241 4.139 4.340 0.066 0.000 0.207 685 L C 2.440 179.194 176.870 -0.194 0.000 1.086 685 L CA 1.312 56.068 54.840 -0.140 0.000 0.760 685 L CB -0.514 41.423 42.059 -0.203 0.000 0.910 685 L HN 0.263 nan 8.230 nan 0.000 0.437 686 M N -0.545 118.877 119.600 -0.296 0.000 2.117 686 M HA -0.218 4.301 4.480 0.066 0.000 0.262 686 M C 2.278 178.308 176.300 -0.450 0.000 1.065 686 M CA 1.676 56.785 55.300 -0.317 0.000 1.114 686 M CB -0.281 32.121 32.600 -0.330 0.000 1.361 686 M HN 0.221 nan 8.290 nan 0.000 0.408 687 E N 0.427 120.168 120.200 -0.764 0.000 2.047 687 E HA -0.180 4.209 4.350 0.066 0.000 0.191 687 E C 1.983 178.234 176.600 -0.581 0.000 0.987 687 E CA 1.253 57.174 56.400 -0.797 0.000 0.799 687 E CB 0.013 29.201 29.700 -0.852 0.000 0.752 687 E HN 0.467 nan 8.360 nan 0.000 0.449 688 A N 0.398 122.997 122.820 -0.369 0.000 1.908 688 A HA -0.224 4.135 4.320 0.066 0.000 0.218 688 A C 2.061 179.549 177.584 -0.159 0.000 1.181 688 A CA 1.602 53.517 52.037 -0.204 0.000 0.627 688 A CB -0.978 17.958 19.000 -0.106 0.000 0.818 688 A HN 0.572 nan 8.150 nan 0.000 0.445 689 Y N 0.485 120.633 120.300 -0.254 0.000 2.145 689 Y HA -0.199 4.391 4.550 0.066 0.000 0.286 689 Y C 2.403 178.182 175.900 -0.202 0.000 1.145 689 Y CA 2.342 60.320 58.100 -0.202 0.000 1.148 689 Y CB -0.229 38.124 38.460 -0.178 0.000 0.981 689 Y HN 0.310 nan 8.280 nan 0.000 0.507 690 K N -0.675 119.610 120.400 -0.191 0.000 2.103 690 K HA -0.230 4.130 4.320 0.066 0.000 0.207 690 K C 1.060 177.548 176.600 -0.186 0.000 1.048 690 K CA 2.054 58.202 56.287 -0.232 0.000 0.930 690 K CB -0.418 31.883 32.500 -0.331 0.000 0.716 690 K HN 0.593 nan 8.250 nan 0.000 0.444 691 H N 0.008 118.953 119.070 -0.208 0.000 2.524 691 H HA 0.197 4.792 4.556 0.066 0.000 0.280 691 H C -0.048 175.117 175.328 -0.272 0.000 1.018 691 H CA 0.132 56.056 56.048 -0.207 0.000 1.165 691 H CB 0.248 29.887 29.762 -0.206 0.000 1.411 691 H HN 0.107 nan 8.280 nan 0.000 0.569 692 L N 0.066 121.142 121.223 -0.244 0.000 4.140 692 L HA -0.255 4.124 4.340 0.066 0.000 0.406 692 L C -0.434 176.174 176.870 -0.438 0.000 1.175 692 L CA 0.567 55.169 54.840 -0.397 0.000 0.939 692 L CB -1.705 40.095 42.059 -0.432 0.000 2.105 692 L HN 0.277 nan 8.230 nan 0.000 0.803 693 K N 0.600 120.809 120.400 -0.317 0.000 2.110 693 K HA 0.554 4.913 4.320 0.066 0.000 0.263 693 K C -2.237 174.225 176.600 -0.231 0.000 0.975 693 K CA -1.814 54.303 56.287 -0.282 0.000 0.895 693 K CB 0.888 33.276 32.500 -0.185 0.000 1.060 693 K HN -0.236 nan 8.250 nan 0.000 0.448 694 P HA 0.123 nan 4.420 nan 0.000 0.271 694 P C -0.800 176.433 177.300 -0.113 0.000 1.216 694 P CA 0.227 63.224 63.100 -0.172 0.000 0.776 694 P CB 0.501 32.099 31.700 -0.171 0.000 0.881 695 I N 1.562 122.078 120.570 -0.091 0.000 2.582 695 I HA 0.620 4.830 4.170 0.066 0.000 0.292 695 I C -0.489 175.576 176.117 -0.086 0.000 1.066 695 I CA -0.826 60.440 61.300 -0.057 0.000 1.053 695 I CB 2.251 40.244 38.000 -0.011 0.000 1.241 695 I HN 0.257 nan 8.210 nan 0.000 0.421 696 A N 7.479 130.257 122.820 -0.071 0.000 2.356 696 A HA 0.904 5.264 4.320 0.066 0.000 0.310 696 A C -1.189 176.488 177.584 0.155 0.000 1.075 696 A CA -0.428 51.548 52.037 -0.101 0.000 0.746 696 A CB 1.027 19.834 19.000 -0.323 0.000 1.221 696 A HN 0.650 nan 8.150 nan 0.000 0.443 697 L N 2.139 123.516 121.223 0.258 0.000 2.376 697 L HA 0.732 5.112 4.340 0.066 0.000 0.275 697 L C 0.212 177.286 176.870 0.340 0.000 0.987 697 L CA -0.544 54.456 54.840 0.265 0.000 0.828 697 L CB 1.972 44.133 42.059 0.170 0.000 1.249 697 L HN 0.788 nan 8.230 nan 0.000 0.409 698 A N 2.148 125.072 122.820 0.173 0.000 2.325 698 A HA 0.888 5.248 4.320 0.066 0.000 0.333 698 A C 0.632 178.206 177.584 -0.016 0.000 1.155 698 A CA 0.243 52.253 52.037 -0.046 0.000 0.814 698 A CB 1.232 20.033 19.000 -0.332 0.000 1.206 698 A HN 0.978 nan 8.150 nan 0.000 0.482 699 G N 1.460 110.238 108.800 -0.038 0.000 2.627 699 G HA2 -0.334 3.666 3.960 0.066 0.000 0.312 699 G HA3 -0.334 3.666 3.960 0.066 0.000 0.312 699 G C 0.472 175.376 174.900 0.007 0.000 1.299 699 G CA 0.882 45.970 45.100 -0.021 0.000 0.989 699 G HN 0.742 nan 8.290 nan 0.000 0.547 700 D N 1.141 121.541 120.400 0.000 0.000 2.351 700 D HA 0.189 4.869 4.640 0.066 0.000 0.216 700 D C 2.558 178.867 176.300 0.015 0.000 0.968 700 D CA 1.478 55.475 54.000 -0.006 0.000 0.899 700 D CB -0.651 40.137 40.800 -0.019 0.000 0.907 700 D HN 0.795 nan 8.370 nan 0.000 0.514 701 A N 0.317 123.183 122.820 0.076 0.000 2.178 701 A HA -0.160 4.200 4.320 0.066 0.000 0.218 701 A C 2.043 179.748 177.584 0.202 0.000 1.157 701 A CA 0.725 52.883 52.037 0.201 0.000 0.689 701 A CB -0.350 18.776 19.000 0.211 0.000 0.787 701 A HN 0.141 nan 8.150 nan 0.000 0.465 702 R N -0.343 120.217 120.500 0.100 0.000 2.237 702 R HA -0.055 4.325 4.340 0.066 0.000 0.219 702 R C 1.514 177.830 176.300 0.027 0.000 1.080 702 R CA 0.788 56.934 56.100 0.077 0.000 0.995 702 R CB -0.052 30.280 30.300 0.053 0.000 0.875 702 R HN 0.301 nan 8.270 nan 0.000 0.462 703 K N 0.070 120.443 120.400 -0.045 0.000 2.152 703 K HA -0.148 4.212 4.320 0.066 0.000 0.206 703 K C 1.585 178.083 176.600 -0.171 0.000 1.048 703 K CA 1.367 57.565 56.287 -0.149 0.000 0.933 703 K CB -0.227 32.110 32.500 -0.272 0.000 0.721 703 K HN 0.257 nan 8.250 nan 0.000 0.447 704 F N 1.475 121.401 119.950 -0.041 0.000 2.502 704 F HA -0.069 4.498 4.527 0.066 0.000 0.298 704 F C 2.162 177.914 175.800 -0.080 0.000 1.111 704 F CA 0.662 58.626 58.000 -0.060 0.000 1.445 704 F CB -0.055 38.908 39.000 -0.061 0.000 1.081 704 F HN -0.015 nan 8.300 nan 0.000 0.558 705 K N 0.400 120.852 120.400 0.086 0.000 2.144 705 K HA -0.294 4.066 4.320 0.066 0.000 0.209 705 K C 2.277 178.851 176.600 -0.043 0.000 1.047 705 K CA 1.426 57.712 56.287 -0.001 0.000 0.927 705 K CB -0.461 32.036 32.500 -0.005 0.000 0.716 705 K HN 0.297 nan 8.250 nan 0.000 0.454 706 A N 0.657 123.455 122.820 -0.036 0.000 1.972 706 A HA -0.154 4.205 4.320 0.066 0.000 0.219 706 A C 2.096 179.648 177.584 -0.053 0.000 1.169 706 A CA 2.057 54.064 52.037 -0.050 0.000 0.635 706 A CB -0.754 18.213 19.000 -0.055 0.000 0.810 706 A HN 0.343 nan 8.150 nan 0.000 0.446 707 T N 0.383 114.922 114.554 -0.025 0.000 2.915 707 T HA -0.020 4.369 4.350 0.066 0.000 0.269 707 T C 1.401 176.032 174.700 -0.116 0.000 1.071 707 T CA 1.443 63.527 62.100 -0.026 0.000 1.132 707 T CB -0.430 68.473 68.868 0.058 0.000 0.878 707 T HN 0.747 nan 8.240 nan 0.000 0.479 708 I N -1.951 118.495 120.570 -0.206 0.000 3.974 708 I HA 0.454 4.664 4.170 0.066 0.000 0.334 708 I C -0.265 175.585 176.117 -0.446 0.000 1.437 708 I CA -0.768 60.260 61.300 -0.453 0.000 1.113 708 I CB -0.262 37.300 38.000 -0.730 0.000 1.063 708 I HN -0.106 nan 8.210 nan 0.000 0.400 709 K N 2.057 122.322 120.400 -0.225 0.000 3.257 709 K HA -0.127 4.233 4.320 0.066 0.000 0.270 709 K C -0.462 176.062 176.600 -0.126 0.000 0.984 709 K CA 0.311 56.513 56.287 -0.141 0.000 0.739 709 K CB -1.318 31.120 32.500 -0.103 0.000 1.351 709 K HN 0.363 nan 8.250 nan 0.000 0.463 710 I N 0.795 121.292 120.570 -0.122 0.000 2.395 710 I HA 0.260 4.470 4.170 0.066 0.000 0.289 710 I C 1.352 177.449 176.117 -0.033 0.000 1.023 710 I CA -0.717 60.545 61.300 -0.062 0.000 1.350 710 I CB 0.525 38.496 38.000 -0.048 0.000 1.409 710 I HN 0.289 nan 8.210 nan 0.000 0.507 711 A N 4.745 127.556 122.820 -0.014 0.000 2.366 711 A HA 0.161 4.520 4.320 0.066 0.000 0.249 711 A C 1.053 178.634 177.584 -0.005 0.000 1.084 711 A CA -0.265 51.767 52.037 -0.009 0.000 0.794 711 A CB 0.107 19.106 19.000 -0.002 0.000 1.034 711 A HN 0.757 nan 8.150 nan 0.000 0.491 712 D N 0.119 120.516 120.400 -0.005 0.000 2.149 712 D HA -0.174 4.505 4.640 0.066 0.000 0.194 712 D C 1.672 177.974 176.300 0.003 0.000 1.001 712 D CA 1.850 55.849 54.000 -0.001 0.000 0.849 712 D CB -0.131 40.668 40.800 -0.002 0.000 0.939 712 D HN 0.596 nan 8.370 nan 0.000 0.449 713 Q N -0.133 119.669 119.800 0.003 0.000 2.248 713 Q HA 0.077 4.457 4.340 0.066 0.000 0.208 713 Q C 0.985 176.989 176.000 0.006 0.000 0.984 713 Q CA 1.163 56.969 55.803 0.005 0.000 0.875 713 Q CB -0.379 28.361 28.738 0.005 0.000 0.910 713 Q HN 0.380 nan 8.270 nan 0.000 0.433 714 G N -0.425 108.379 108.800 0.006 0.000 2.631 714 G HA2 -0.169 3.831 3.960 0.066 0.000 0.504 714 G HA3 -0.169 3.831 3.960 0.066 0.000 0.504 714 G C -1.139 173.765 174.900 0.008 0.000 1.306 714 G CA -0.241 44.864 45.100 0.007 0.000 0.897 714 G HN 0.209 nan 8.290 nan 0.000 0.520 715 E N -0.523 119.682 120.200 0.008 0.000 2.352 715 E HA 0.444 4.834 4.350 0.066 0.000 0.280 715 E C -0.394 176.202 176.600 -0.007 0.000 0.930 715 E CA -0.616 55.792 56.400 0.013 0.000 0.765 715 E CB 1.319 31.045 29.700 0.044 0.000 1.219 715 E HN 0.577 nan 8.360 nan 0.000 0.434 716 E N 1.351 121.539 120.200 -0.020 0.000 2.493 716 E HA 0.240 4.629 4.350 0.066 0.000 0.255 716 E C 0.605 177.163 176.600 -0.070 0.000 0.999 716 E CA 1.358 57.730 56.400 -0.046 0.000 0.934 716 E CB 0.587 30.259 29.700 -0.047 0.000 0.940 716 E HN 0.825 nan 8.360 nan 0.000 0.473 717 G N 3.319 112.064 108.800 -0.092 0.000 2.218 717 G HA2 -0.188 3.812 3.960 0.066 0.000 0.216 717 G HA3 -0.188 3.812 3.960 0.066 0.000 0.216 717 G C 0.006 174.852 174.900 -0.089 0.000 0.994 717 G CA -0.571 44.455 45.100 -0.124 0.000 0.637 717 G HN 0.420 nan 8.290 nan 0.000 0.505 718 I N 2.146 122.686 120.570 -0.050 0.000 2.382 718 I HA 0.517 4.726 4.170 0.066 0.000 0.286 718 I C 0.394 176.463 176.117 -0.080 0.000 1.002 718 I CA -1.320 59.956 61.300 -0.040 0.000 1.135 718 I CB 1.278 39.286 38.000 0.013 0.000 1.288 718 I HN -0.096 nan 8.210 nan 0.000 0.448 719 V N 7.332 127.154 119.914 -0.154 0.000 2.465 719 V HA 0.461 4.620 4.120 0.066 0.000 0.279 719 V C 0.171 176.177 176.094 -0.147 0.000 1.045 719 V CA -0.455 61.693 62.300 -0.254 0.000 0.938 719 V CB 1.347 32.839 31.823 -0.553 0.000 0.986 719 V HN 0.878 nan 8.190 nan 0.000 0.467 720 E N 3.961 124.166 120.200 0.008 0.000 2.372 720 E HA 0.894 5.284 4.350 0.066 0.000 0.279 720 E C -0.995 175.770 176.600 0.275 0.000 0.946 720 E CA -1.013 55.509 56.400 0.204 0.000 0.769 720 E CB 2.591 32.358 29.700 0.111 0.000 1.230 720 E HN 0.881 nan 8.360 nan 0.000 0.442 721 A N 1.519 124.516 122.820 0.295 0.000 2.522 721 A HA 0.319 4.679 4.320 0.066 0.000 0.291 721 A C -0.688 176.924 177.584 0.047 0.000 1.039 721 A CA -0.578 51.563 52.037 0.174 0.000 0.643 721 A CB 0.920 20.072 19.000 0.253 0.000 1.310 721 A HN 0.586 nan 8.150 nan 0.000 0.436 722 D N 0.494 120.896 120.400 0.003 0.000 2.178 722 D HA 0.050 4.730 4.640 0.066 0.000 0.201 722 D C 1.116 177.360 176.300 -0.094 0.000 0.980 722 D CA 2.362 56.342 54.000 -0.033 0.000 0.842 722 D CB 0.071 40.856 40.800 -0.025 0.000 0.948 722 D HN 0.865 nan 8.370 nan 0.000 0.472 723 S N -1.529 114.077 115.700 -0.157 0.000 2.638 723 S HA 0.701 5.211 4.470 0.066 0.000 0.274 723 S C -0.965 173.311 174.600 -0.540 0.000 1.157 723 S CA -0.911 57.126 58.200 -0.271 0.000 0.826 723 S CB 2.142 65.242 63.200 -0.168 0.000 1.139 723 S HN 0.031 nan 8.310 nan 0.000 0.474 724 A N 1.632 124.039 122.820 -0.688 0.000 2.350 724 A HA 0.638 4.997 4.320 0.066 0.000 0.293 724 A C -0.183 177.219 177.584 -0.303 0.000 1.231 724 A CA -0.182 51.309 52.037 -0.910 0.000 0.883 724 A CB -0.959 17.675 19.000 -0.610 0.000 1.133 724 A HN 0.918 nan 8.150 nan 0.000 0.533 725 D N 1.333 121.673 120.400 -0.100 0.000 2.904 725 D HA 0.537 5.217 4.640 0.066 0.000 0.290 725 D C 1.227 177.580 176.300 0.089 0.000 1.180 725 D CA 0.107 54.109 54.000 0.002 0.000 1.065 725 D CB -0.087 40.713 40.800 0.001 0.000 1.386 725 D HN 0.237 nan 8.370 nan 0.000 0.599 726 G N -0.471 108.367 108.800 0.063 0.000 2.433 726 G HA2 -0.272 3.728 3.960 0.066 0.000 0.216 726 G HA3 -0.272 3.728 3.960 0.066 0.000 0.216 726 G C 1.492 176.443 174.900 0.085 0.000 1.186 726 G CA 1.573 46.711 45.100 0.062 0.000 0.779 726 G HN 0.457 nan 8.290 nan 0.000 0.543 727 S N -0.272 115.483 115.700 0.091 0.000 2.356 727 S HA -0.116 4.394 4.470 0.066 0.000 0.223 727 S C 2.127 176.800 174.600 0.121 0.000 1.032 727 S CA 1.513 59.765 58.200 0.086 0.000 1.005 727 S CB -0.466 62.780 63.200 0.076 0.000 0.867 727 S HN 0.351 nan 8.310 nan 0.000 0.449 728 F N 1.939 121.886 119.950 -0.005 0.000 2.095 728 F HA -0.083 4.483 4.527 0.066 0.000 0.298 728 F C 2.173 177.968 175.800 -0.008 0.000 1.104 728 F CA 1.867 59.864 58.000 -0.006 0.000 1.232 728 F CB -0.284 38.714 39.000 -0.004 0.000 0.987 728 F HN 0.212 nan 8.300 nan 0.000 0.475 729 M N 0.017 119.781 119.600 0.273 0.000 2.254 729 M HA -0.141 4.379 4.480 0.066 0.000 0.265 729 M C 1.710 178.020 176.300 0.016 0.000 1.066 729 M CA 1.207 56.582 55.300 0.126 0.000 1.123 729 M CB -1.298 31.393 32.600 0.152 0.000 1.388 729 M HN 0.121 nan 8.290 nan 0.000 0.425 730 D N 0.626 121.040 120.400 0.023 0.000 2.117 730 D HA -0.138 4.542 4.640 0.066 0.000 0.197 730 D C 1.979 178.255 176.300 -0.039 0.000 0.987 730 D CA 1.177 55.174 54.000 -0.004 0.000 0.829 730 D CB -0.111 40.694 40.800 0.007 0.000 0.961 730 D HN 0.460 nan 8.370 nan 0.000 0.460 731 E N 0.343 120.504 120.200 -0.065 0.000 2.051 731 E HA -0.118 4.271 4.350 0.066 0.000 0.192 731 E C 2.161 178.678 176.600 -0.139 0.000 0.991 731 E CA 0.211 56.551 56.400 -0.101 0.000 0.799 731 E CB -0.058 29.564 29.700 -0.131 0.000 0.748 731 E HN 0.172 nan 8.360 nan 0.000 0.449 732 L N 1.014 122.120 121.223 -0.195 0.000 2.017 732 L HA -0.196 4.183 4.340 0.066 0.000 0.208 732 L C 2.246 179.046 176.870 -0.116 0.000 1.073 732 L CA 1.520 56.242 54.840 -0.196 0.000 0.745 732 L CB -0.375 41.538 42.059 -0.243 0.000 0.894 732 L HN 0.240 nan 8.230 nan 0.000 0.432 733 L N -0.505 120.672 121.223 -0.077 0.000 2.083 733 L HA -0.236 4.143 4.340 0.066 0.000 0.209 733 L C 2.503 179.346 176.870 -0.044 0.000 1.083 733 L CA 1.744 56.555 54.840 -0.048 0.000 0.752 733 L CB -0.815 41.228 42.059 -0.028 0.000 0.899 733 L HN 0.275 nan 8.230 nan 0.000 0.433 734 T N 0.219 114.744 114.554 -0.048 0.000 2.652 734 T HA -0.191 4.198 4.350 0.066 0.000 0.267 734 T C 1.947 176.614 174.700 -0.055 0.000 1.039 734 T CA 1.370 63.446 62.100 -0.040 0.000 1.153 734 T CB -0.333 68.512 68.868 -0.038 0.000 0.863 734 T HN 0.195 nan 8.240 nan 0.000 0.428 735 L N 0.268 121.438 121.223 -0.088 0.000 2.043 735 L HA -0.147 4.232 4.340 0.066 0.000 0.212 735 L C 2.719 179.519 176.870 -0.117 0.000 1.075 735 L CA 1.459 56.226 54.840 -0.121 0.000 0.752 735 L CB -0.603 41.363 42.059 -0.154 0.000 0.891 735 L HN 0.326 nan 8.230 nan 0.000 0.432 736 M N -0.886 118.662 119.600 -0.087 0.000 2.229 736 M HA -0.127 4.393 4.480 0.066 0.000 0.264 736 M C 2.437 178.732 176.300 -0.008 0.000 1.063 736 M CA 1.521 56.786 55.300 -0.058 0.000 1.114 736 M CB -0.451 32.125 32.600 -0.039 0.000 1.387 736 M HN 0.304 nan 8.290 nan 0.000 0.420 737 A N 0.316 123.134 122.820 -0.003 0.000 2.070 737 A HA 0.058 4.417 4.320 0.066 0.000 0.220 737 A C 2.104 179.726 177.584 0.063 0.000 1.159 737 A CA 1.668 53.724 52.037 0.032 0.000 0.656 737 A CB -0.589 18.424 19.000 0.022 0.000 0.800 737 A HN 0.496 nan 8.150 nan 0.000 0.453 738 A N -2.634 120.199 122.820 0.023 0.000 2.345 738 A HA 0.386 4.745 4.320 0.066 0.000 0.225 738 A C 0.888 178.486 177.584 0.024 0.000 1.243 738 A CA 1.143 53.205 52.037 0.042 0.000 0.875 738 A CB -0.439 18.545 19.000 -0.028 0.000 0.929 738 A HN 0.952 nan 8.150 nan 0.000 0.502 739 H N -1.188 117.818 119.070 -0.107 0.000 4.884 739 H HA -0.196 4.400 4.556 0.066 0.000 0.061 739 H C 0.119 175.211 175.328 -0.393 0.000 0.590 739 H CA 2.429 58.392 56.048 -0.141 0.000 0.961 739 H CB -0.576 29.213 29.762 0.046 0.000 0.443 739 H HN 0.452 nan 8.280 nan 0.000 0.794 740 R N -0.398 119.499 120.500 -1.006 0.000 2.855 740 R HA 0.629 5.009 4.340 0.066 0.000 0.266 740 R C -0.747 174.686 176.300 -1.445 0.000 1.034 740 R CA -0.289 54.986 56.100 -1.376 0.000 0.944 740 R CB 1.745 30.870 30.300 -1.958 0.000 1.219 740 R HN 0.072 nan 8.270 nan 0.000 0.474 741 V N 2.196 121.477 119.914 -1.056 0.000 2.218 741 V HA 0.138 4.298 4.120 0.066 0.000 0.261 741 V C 0.551 176.274 176.094 -0.618 0.000 1.142 741 V CA -0.482 61.391 62.300 -0.712 0.000 0.965 741 V CB -0.024 31.526 31.823 -0.455 0.000 1.190 741 V HN 0.718 nan 8.190 nan 0.000 0.478 742 W N 1.531 122.549 121.300 -0.471 0.000 2.425 742 W HA -0.151 4.548 4.660 0.066 0.000 0.277 742 W C 2.507 178.810 176.519 -0.360 0.000 1.231 742 W CA 0.815 57.795 57.345 -0.608 0.000 1.248 742 W CB -0.380 28.313 29.460 -1.278 0.000 1.117 742 W HN 0.645 nan 8.180 nan 0.000 0.568 743 S N 0.916 116.566 115.700 -0.083 0.000 2.500 743 S HA -0.188 4.322 4.470 0.066 0.000 0.239 743 S C 1.708 176.270 174.600 -0.064 0.000 0.989 743 S CA 1.040 59.213 58.200 -0.045 0.000 0.951 743 S CB -0.467 62.706 63.200 -0.044 0.000 0.759 743 S HN 0.440 nan 8.310 nan 0.000 0.523 744 R N 0.781 121.200 120.500 -0.135 0.000 2.299 744 R HA 0.239 4.619 4.340 0.066 0.000 0.197 744 R C 1.736 177.971 176.300 -0.109 0.000 0.971 744 R CA 0.353 56.354 56.100 -0.165 0.000 1.030 744 R CB -0.378 29.712 30.300 -0.350 0.000 0.932 744 R HN 0.479 nan 8.270 nan 0.000 0.477 745 I N 1.839 122.383 120.570 -0.043 0.000 2.151 745 I HA -0.224 3.985 4.170 0.066 0.000 0.243 745 I C -0.787 175.354 176.117 0.041 0.000 1.080 745 I CA 1.278 62.595 61.300 0.028 0.000 1.339 745 I CB -0.999 37.069 38.000 0.113 0.000 1.039 745 I HN 0.158 nan 8.210 nan 0.000 0.409 746 P HA -0.188 nan 4.420 nan 0.000 0.217 746 P C 1.301 178.631 177.300 0.050 0.000 1.148 746 P CA 1.565 64.695 63.100 0.049 0.000 0.828 746 P CB -0.057 31.669 31.700 0.043 0.000 0.783 747 K N -0.721 119.706 120.400 0.044 0.000 2.418 747 K HA 0.065 4.425 4.320 0.066 0.000 0.195 747 K C 1.917 178.585 176.600 0.113 0.000 1.035 747 K CA 0.440 56.777 56.287 0.084 0.000 1.003 747 K CB -0.272 32.301 32.500 0.122 0.000 0.793 747 K HN 0.276 nan 8.250 nan 0.000 0.494 748 I N -2.306 118.301 120.570 0.061 0.000 2.876 748 I HA -0.044 4.165 4.170 0.066 0.000 0.264 748 I C 1.172 177.331 176.117 0.071 0.000 1.204 748 I CA 0.883 62.221 61.300 0.065 0.000 1.485 748 I CB -0.028 37.963 38.000 -0.014 0.000 1.103 748 I HN -0.156 nan 8.210 nan 0.000 0.446 749 D N 2.315 122.757 120.400 0.071 0.000 2.203 749 D HA -0.207 4.472 4.640 0.066 0.000 0.199 749 D C 2.038 178.377 176.300 0.064 0.000 0.997 749 D CA 1.535 55.577 54.000 0.070 0.000 0.863 749 D CB -0.012 40.829 40.800 0.069 0.000 0.928 749 D HN 0.481 nan 8.370 nan 0.000 0.458 750 K N -0.443 119.996 120.400 0.065 0.000 2.262 750 K HA 0.041 4.401 4.320 0.066 0.000 0.200 750 K C 0.490 177.120 176.600 0.050 0.000 1.049 750 K CA -0.186 56.133 56.287 0.054 0.000 0.979 750 K CB 0.299 32.830 32.500 0.051 0.000 0.773 750 K HN 0.155 nan 8.250 nan 0.000 0.474 751 I N 1.286 121.894 120.570 0.063 0.000 2.533 751 I HA 0.137 4.347 4.170 0.066 0.000 0.284 751 I C -2.635 173.507 176.117 0.042 0.000 1.109 751 I CA -3.534 57.795 61.300 0.048 0.000 1.412 751 I CB -0.256 37.783 38.000 0.065 0.000 1.396 751 I HN -0.102 nan 8.210 nan 0.000 0.543 752 P HA 0.578 nan 4.420 nan 0.000 0.256 752 P C -0.727 176.626 177.300 0.088 0.000 1.689 752 P CA -0.046 63.087 63.100 0.055 0.000 1.124 752 P CB 0.331 32.059 31.700 0.047 0.000 1.766 753 A N 0.000 122.870 122.820 0.083 0.000 2.254 753 A HA 0.000 4.360 4.320 0.066 0.000 0.244 753 A CA 0.000 52.129 52.037 0.153 0.000 0.836 753 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486