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 3pq5_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 0.000 174.572 174.600 -0.047 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 28 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 29 L N 0.335 121.521 121.223 -0.062 0.000 2.510 29 L HA 1.099 5.479 4.340 0.066 0.000 0.252 29 L C 0.287 177.071 176.870 -0.143 0.000 1.091 29 L CA -0.946 53.839 54.840 -0.092 0.000 0.888 29 L CB 0.021 42.035 42.059 -0.076 0.000 1.507 29 L HN 0.566 nan 8.230 nan 0.000 0.407 30 A N 0.290 122.962 122.820 -0.246 0.000 2.425 30 A HA 0.669 5.029 4.320 0.066 0.000 0.242 30 A C -2.155 175.273 177.584 -0.261 0.000 1.077 30 A CA -0.789 50.966 52.037 -0.470 0.000 0.781 30 A CB -1.050 17.348 19.000 -1.003 0.000 1.020 30 A HN 0.709 nan 8.150 nan 0.000 0.494 31 P HA 0.092 nan 4.420 nan 0.000 0.269 31 P C 0.209 177.494 177.300 -0.024 0.000 1.209 31 P CA 0.002 63.071 63.100 -0.052 0.000 0.776 31 P CB 0.776 32.485 31.700 0.015 0.000 0.876 32 E N 1.234 121.429 120.200 -0.009 0.000 2.160 32 E HA -0.232 4.157 4.350 0.066 0.000 0.195 32 E C 1.136 177.758 176.600 0.036 0.000 0.991 32 E CA 1.566 57.971 56.400 0.009 0.000 0.810 32 E CB -0.121 29.581 29.700 0.003 0.000 0.742 32 E HN 0.533 nan 8.360 nan 0.000 0.466 33 D N -1.212 119.214 120.400 0.044 0.000 2.378 33 D HA -0.025 4.654 4.640 0.066 0.000 0.227 33 D C 1.268 177.615 176.300 0.078 0.000 1.012 33 D CA 0.870 54.900 54.000 0.050 0.000 0.905 33 D CB -0.271 40.551 40.800 0.037 0.000 0.895 33 D HN 0.248 nan 8.370 nan 0.000 0.532 34 G N 0.278 109.166 108.800 0.146 0.000 2.155 34 G HA2 -0.368 3.632 3.960 0.066 0.000 0.257 34 G HA3 -0.368 3.632 3.960 0.066 0.000 0.257 34 G C 1.070 176.054 174.900 0.139 0.000 0.983 34 G CA 0.992 46.217 45.100 0.208 0.000 0.676 34 G HN 0.729 nan 8.290 nan 0.000 0.528 35 S N -0.138 115.660 115.700 0.164 0.000 2.555 35 S HA -0.012 4.498 4.470 0.066 0.000 0.230 35 S C 1.791 176.443 174.600 0.086 0.000 0.978 35 S CA 1.311 59.560 58.200 0.081 0.000 0.934 35 S CB -0.630 62.607 63.200 0.061 0.000 0.766 35 S HN 1.073 nan 8.310 nan 0.000 0.533 36 H N 0.461 119.537 119.070 0.010 0.000 2.457 36 H HA 0.251 4.846 4.556 0.066 0.000 0.294 36 H C 1.172 176.511 175.328 0.018 0.000 1.064 36 H CA 0.674 56.730 56.048 0.012 0.000 1.330 36 H CB -0.122 29.646 29.762 0.010 0.000 1.395 36 H HN 0.311 nan 8.280 nan 0.000 0.541 37 R N 2.063 122.271 120.500 -0.488 0.000 2.265 37 R HA 0.337 4.716 4.340 0.066 0.000 0.328 37 R C -2.847 173.364 176.300 -0.149 0.000 0.969 37 R CA -2.747 53.134 56.100 -0.364 0.000 0.832 37 R CB 0.625 30.600 30.300 -0.543 0.000 1.139 37 R HN 0.101 nan 8.270 nan 0.000 0.457 38 P HA 0.078 nan 4.420 nan 0.000 0.265 38 P C -0.863 176.428 177.300 -0.015 0.000 1.193 38 P CA -0.090 63.001 63.100 -0.015 0.000 0.765 38 P CB 0.837 32.553 31.700 0.026 0.000 0.823 39 A N 3.331 126.148 122.820 -0.006 0.000 2.531 39 A HA 0.335 4.695 4.320 0.066 0.000 0.236 39 A C 0.972 178.567 177.584 0.018 0.000 1.062 39 A CA 0.280 52.319 52.037 0.002 0.000 0.760 39 A CB -0.364 18.640 19.000 0.006 0.000 0.995 39 A HN 0.585 nan 8.150 nan 0.000 0.501 40 A N 2.812 125.642 122.820 0.017 0.000 3.135 40 A HA 0.486 4.845 4.320 0.066 0.000 0.253 40 A C 0.254 177.857 177.584 0.032 0.000 1.638 40 A CA -0.062 51.992 52.037 0.028 0.000 1.295 40 A CB -0.419 18.595 19.000 0.023 0.000 1.106 40 A HN 0.730 nan 8.150 nan 0.000 0.648 41 E N 0.546 120.767 120.200 0.035 0.000 2.390 41 E HA 0.388 4.777 4.350 0.066 0.000 0.277 41 E C -3.111 173.513 176.600 0.040 0.000 0.939 41 E CA -1.999 54.423 56.400 0.037 0.000 0.769 41 E CB 1.980 31.695 29.700 0.026 0.000 1.251 41 E HN 0.076 nan 8.360 nan 0.000 0.450 42 P HA 0.093 nan 4.420 nan 0.000 0.267 42 P C -0.528 176.781 177.300 0.015 0.000 1.205 42 P CA 0.075 63.192 63.100 0.027 0.000 0.765 42 P CB 0.279 31.983 31.700 0.007 0.000 0.828 43 T N 0.425 114.983 114.554 0.007 0.000 2.916 43 T HA 0.618 5.008 4.350 0.066 0.000 0.305 43 T C -2.995 171.677 174.700 -0.047 0.000 1.119 43 T CA -2.537 59.561 62.100 -0.003 0.000 1.008 43 T CB 1.657 70.529 68.868 0.007 0.000 1.129 43 T HN 0.092 nan 8.240 nan 0.000 0.480 44 P HA 0.389 nan 4.420 nan 0.000 0.274 44 P C -2.766 174.398 177.300 -0.226 0.000 1.246 44 P CA -1.670 61.284 63.100 -0.243 0.000 0.795 44 P CB -0.937 30.696 31.700 -0.112 0.000 1.006 45 P HA 0.059 nan 4.420 nan 0.000 0.265 45 P C 1.078 178.333 177.300 -0.076 0.000 1.193 45 P CA 1.330 64.334 63.100 -0.160 0.000 0.765 45 P CB -0.182 31.423 31.700 -0.158 0.000 0.823 46 G N 2.478 111.262 108.800 -0.027 0.000 2.212 46 G HA2 -0.365 3.634 3.960 0.066 0.000 0.266 46 G HA3 -0.365 3.634 3.960 0.066 0.000 0.266 46 G C 1.162 176.060 174.900 -0.003 0.000 0.978 46 G CA 0.481 45.578 45.100 -0.005 0.000 0.632 46 G HN 0.684 nan 8.290 nan 0.000 0.537 47 A N -1.321 121.493 122.820 -0.010 0.000 2.014 47 A HA 0.420 4.779 4.320 0.066 0.000 0.218 47 A C 1.331 178.919 177.584 0.005 0.000 1.163 47 A CA 2.019 54.055 52.037 -0.002 0.000 0.652 47 A CB 0.028 19.025 19.000 -0.005 0.000 0.808 47 A HN 0.498 nan 8.150 nan 0.000 0.449 48 Q N -1.182 118.625 119.800 0.011 0.000 2.456 48 Q HA 0.425 4.804 4.340 0.066 0.000 0.284 48 Q C -3.009 173.005 176.000 0.024 0.000 1.061 48 Q CA -1.931 53.882 55.803 0.017 0.000 0.799 48 Q CB 1.248 30.000 28.738 0.022 0.000 1.445 48 Q HN 0.064 nan 8.270 nan 0.000 0.411 49 P HA 0.081 nan 4.420 nan 0.000 0.271 49 P C -0.256 177.074 177.300 0.049 0.000 1.218 49 P CA -0.004 63.110 63.100 0.022 0.000 0.780 49 P CB 0.265 31.976 31.700 0.017 0.000 0.901 50 T N -0.824 113.756 114.554 0.043 0.000 2.828 50 T HA 0.642 5.031 4.350 0.066 0.000 0.290 50 T C -0.019 174.766 174.700 0.142 0.000 1.019 50 T CA -0.516 61.658 62.100 0.124 0.000 1.031 50 T CB 0.740 69.619 68.868 0.018 0.000 1.001 50 T HN 0.593 nan 8.240 nan 0.000 0.531 51 A N 1.326 124.340 122.820 0.322 0.000 2.609 51 A HA 0.773 5.132 4.320 0.066 0.000 0.291 51 A C -3.027 174.827 177.584 0.449 0.000 1.096 51 A CA -1.962 50.236 52.037 0.268 0.000 0.684 51 A CB 0.610 19.716 19.000 0.178 0.000 1.282 51 A HN 0.672 nan 8.150 nan 0.000 0.412 52 P HA 0.102 nan 4.420 nan 0.000 0.264 52 P C 1.198 178.651 177.300 0.255 0.000 1.183 52 P CA 0.942 64.262 63.100 0.366 0.000 0.763 52 P CB 0.485 32.321 31.700 0.228 0.000 0.807 53 G N 2.563 111.475 108.800 0.186 0.000 2.469 53 G HA2 -0.303 3.697 3.960 0.066 0.000 0.220 53 G HA3 -0.303 3.697 3.960 0.066 0.000 0.220 53 G C 1.573 176.492 174.900 0.031 0.000 1.136 53 G CA 1.133 46.255 45.100 0.037 0.000 0.759 53 G HN 0.600 nan 8.290 nan 0.000 0.562 54 S N -0.014 115.708 115.700 0.037 0.000 2.453 54 S HA 0.132 4.642 4.470 0.066 0.000 0.231 54 S C 2.210 176.830 174.600 0.034 0.000 1.005 54 S CA 0.794 59.002 58.200 0.014 0.000 0.949 54 S CB -0.171 63.030 63.200 0.002 0.000 0.774 54 S HN 0.324 nan 8.310 nan 0.000 0.510 55 L N -0.143 121.117 121.223 0.062 0.000 2.253 55 L HA 0.263 4.642 4.340 0.066 0.000 0.205 55 L C 2.682 179.588 176.870 0.060 0.000 1.078 55 L CA 0.784 55.660 54.840 0.061 0.000 0.805 55 L CB -0.382 41.722 42.059 0.074 0.000 0.963 55 L HN 0.245 nan 8.230 nan 0.000 0.459 56 K N 1.537 121.984 120.400 0.078 0.000 2.103 56 K HA 0.013 4.373 4.320 0.066 0.000 0.204 56 K C 0.733 177.367 176.600 0.056 0.000 1.052 56 K CA 1.355 57.688 56.287 0.077 0.000 0.945 56 K CB 0.083 32.649 32.500 0.109 0.000 0.722 56 K HN 0.163 nan 8.250 nan 0.000 0.443 57 A N 0.662 123.507 122.820 0.042 0.000 3.370 57 A HA 0.342 4.702 4.320 0.066 0.000 0.295 57 A C -2.215 175.377 177.584 0.014 0.000 1.030 57 A CA -0.904 51.155 52.037 0.037 0.000 0.883 57 A CB 0.635 19.662 19.000 0.044 0.000 1.191 57 A HN 0.161 nan 8.150 nan 0.000 0.507 58 P HA -0.080 nan 4.420 nan 0.000 0.226 58 P C 0.040 177.335 177.300 -0.009 0.000 1.153 58 P CA 1.025 64.126 63.100 0.001 0.000 0.777 58 P CB 0.363 32.068 31.700 0.008 0.000 0.794 59 D N -0.747 119.652 120.400 -0.001 0.000 2.349 59 D HA 0.012 4.691 4.640 0.066 0.000 0.215 59 D C 0.341 176.629 176.300 -0.020 0.000 1.016 59 D CA 0.638 54.633 54.000 -0.008 0.000 0.870 59 D CB -0.397 40.406 40.800 0.005 0.000 0.917 59 D HN 0.110 nan 8.370 nan 0.000 0.524 60 T N 1.696 116.236 114.554 -0.024 0.000 2.737 60 T HA 0.410 4.800 4.350 0.066 0.000 0.296 60 T C 0.469 175.126 174.700 -0.072 0.000 0.922 60 T CA -0.166 61.905 62.100 -0.048 0.000 1.079 60 T CB 1.106 69.942 68.868 -0.053 0.000 0.892 60 T HN -0.076 nan 8.240 nan 0.000 0.514 61 R N 2.602 123.053 120.500 -0.082 0.000 2.836 61 R HA 0.680 5.060 4.340 0.066 0.000 0.269 61 R C -0.657 175.587 176.300 -0.093 0.000 1.010 61 R CA -1.040 55.006 56.100 -0.090 0.000 0.930 61 R CB 1.563 31.817 30.300 -0.077 0.000 1.218 61 R HN 0.783 nan 8.270 nan 0.000 0.473 62 N N -1.809 116.837 118.700 -0.089 0.000 3.020 62 N HA 0.027 4.806 4.740 0.066 0.000 0.248 62 N C -0.062 175.404 175.510 -0.074 0.000 1.480 62 N CA -0.930 52.081 53.050 -0.066 0.000 0.874 62 N CB 0.717 39.197 38.487 -0.013 0.000 1.433 62 N HN 0.623 nan 8.380 nan 0.000 0.530 63 E N -0.299 119.871 120.200 -0.050 0.000 2.085 63 E HA -0.289 4.101 4.350 0.066 0.000 0.194 63 E C 1.050 177.578 176.600 -0.119 0.000 0.994 63 E CA 1.548 57.912 56.400 -0.061 0.000 0.801 63 E CB 0.080 29.768 29.700 -0.019 0.000 0.743 63 E HN 0.485 nan 8.360 nan 0.000 0.453 64 K N 0.708 121.002 120.400 -0.177 0.000 2.025 64 K HA -0.083 4.277 4.320 0.066 0.000 0.207 64 K C 2.097 178.532 176.600 -0.276 0.000 1.049 64 K CA 1.158 57.245 56.287 -0.334 0.000 0.933 64 K CB -0.505 31.629 32.500 -0.610 0.000 0.714 64 K HN 0.172 nan 8.250 nan 0.000 0.438 65 L N 0.989 122.067 121.223 -0.242 0.000 2.043 65 L HA -0.256 4.124 4.340 0.066 0.000 0.212 65 L C 1.920 178.674 176.870 -0.193 0.000 1.075 65 L CA 1.426 56.097 54.840 -0.280 0.000 0.752 65 L CB -0.614 41.278 42.059 -0.278 0.000 0.891 65 L HN 0.278 nan 8.230 nan 0.000 0.432 66 N N -0.388 118.225 118.700 -0.146 0.000 2.142 66 N HA -0.152 4.627 4.740 0.066 0.000 0.186 66 N C 2.060 177.508 175.510 -0.102 0.000 1.023 66 N CA 1.682 54.668 53.050 -0.106 0.000 0.852 66 N CB -0.481 37.957 38.487 -0.081 0.000 0.998 66 N HN 0.375 nan 8.380 nan 0.000 0.424 67 S N 0.483 116.112 115.700 -0.117 0.000 2.469 67 S HA -0.010 4.499 4.470 0.066 0.000 0.238 67 S C 1.782 176.318 174.600 -0.106 0.000 0.998 67 S CA 0.522 58.660 58.200 -0.104 0.000 0.957 67 S CB -0.518 62.612 63.200 -0.115 0.000 0.764 67 S HN 0.257 nan 8.310 nan 0.000 0.514 68 L N 0.732 121.878 121.223 -0.128 0.000 2.599 68 L HA 0.205 4.584 4.340 0.066 0.000 0.230 68 L C 2.556 179.378 176.870 -0.081 0.000 1.141 68 L CA 0.457 55.229 54.840 -0.113 0.000 0.877 68 L CB -0.350 41.624 42.059 -0.141 0.000 1.009 68 L HN 0.261 nan 8.230 nan 0.000 0.447 69 E N 1.046 121.203 120.200 -0.073 0.000 2.204 69 E HA -0.245 4.145 4.350 0.066 0.000 0.195 69 E C 1.707 178.284 176.600 -0.039 0.000 0.990 69 E CA 1.411 57.780 56.400 -0.051 0.000 0.821 69 E CB -0.034 29.639 29.700 -0.045 0.000 0.750 69 E HN 0.562 nan 8.360 nan 0.000 0.477 70 D N -0.430 119.945 120.400 -0.042 0.000 2.221 70 D HA -0.155 4.525 4.640 0.066 0.000 0.204 70 D C 1.661 177.942 176.300 -0.032 0.000 0.982 70 D CA 1.684 55.663 54.000 -0.034 0.000 0.857 70 D CB -0.378 40.401 40.800 -0.034 0.000 0.934 70 D HN 0.314 nan 8.370 nan 0.000 0.475 71 V N -3.480 116.413 119.914 -0.035 0.000 3.605 71 V HA 0.309 4.468 4.120 0.066 0.000 0.284 71 V C 0.894 176.975 176.094 -0.021 0.000 1.386 71 V CA -0.648 61.635 62.300 -0.028 0.000 1.053 71 V CB -0.457 31.349 31.823 -0.028 0.000 0.857 71 V HN -0.157 nan 8.190 nan 0.000 0.436 72 R N 1.989 122.475 120.500 -0.023 0.000 2.537 72 R HA 0.406 4.785 4.340 0.066 0.000 0.280 72 R C -0.351 175.944 176.300 -0.009 0.000 1.058 72 R CA 0.048 56.142 56.100 -0.009 0.000 1.057 72 R CB 0.587 30.882 30.300 -0.008 0.000 0.973 72 R HN 0.281 nan 8.270 nan 0.000 0.438 73 K N 1.299 121.697 120.400 -0.003 0.000 2.413 73 K HA 0.316 4.675 4.320 0.066 0.000 0.257 73 K C -0.071 176.536 176.600 0.012 0.000 0.946 73 K CA -0.327 55.944 56.287 -0.026 0.000 0.823 73 K CB 1.774 34.246 32.500 -0.048 0.000 1.109 73 K HN 0.664 nan 8.250 nan 0.000 0.427 74 G N 0.802 109.629 108.800 0.044 0.000 2.485 74 G HA2 0.291 4.291 3.960 0.066 0.000 0.260 74 G HA3 0.291 4.291 3.960 0.066 0.000 0.260 74 G C 0.203 175.208 174.900 0.174 0.000 1.459 74 G CA 0.270 45.455 45.100 0.142 0.000 1.060 74 G HN 0.816 nan 8.290 nan 0.000 0.546 75 S N -2.842 113.050 115.700 0.319 0.000 2.323 75 S HA 0.092 4.601 4.470 0.066 0.000 0.233 75 S C 0.200 174.973 174.600 0.288 0.000 0.898 75 S CA -0.097 58.288 58.200 0.308 0.000 1.321 75 S CB -0.033 63.255 63.200 0.147 0.000 0.921 75 S HN 0.500 nan 8.310 nan 0.000 0.398 76 E N 2.953 123.238 120.200 0.142 0.000 2.414 76 E HA 0.309 4.699 4.350 0.066 0.000 0.263 76 E C -0.200 176.301 176.600 -0.165 0.000 1.000 76 E CA 0.219 56.626 56.400 0.012 0.000 0.914 76 E CB 0.095 29.795 29.700 0.000 0.000 0.948 76 E HN 0.384 nan 8.360 nan 0.000 0.444 77 N N 0.597 119.217 118.700 -0.135 0.000 2.828 77 N HA -0.223 4.557 4.740 0.066 0.000 0.248 77 N C -1.152 174.201 175.510 -0.261 0.000 1.044 77 N CA 1.206 54.130 53.050 -0.210 0.000 0.851 77 N CB -1.424 36.904 38.487 -0.264 0.000 1.136 77 N HN 0.372 nan 8.380 nan 0.000 0.572 78 Y N 0.505 120.811 120.300 0.009 0.000 2.387 78 Y HA 0.643 5.233 4.550 0.067 0.000 0.330 78 Y C 0.894 176.797 175.900 0.005 0.000 1.133 78 Y CA -0.725 57.379 58.100 0.007 0.000 1.152 78 Y CB 1.093 39.557 38.460 0.008 0.000 1.215 78 Y HN 0.127 nan 8.280 nan 0.000 0.466 79 A N 2.738 125.675 122.820 0.194 0.000 2.425 79 A HA 0.378 4.738 4.320 0.066 0.000 0.249 79 A C -0.658 176.976 177.584 0.083 0.000 1.084 79 A CA -0.467 51.633 52.037 0.105 0.000 0.781 79 A CB -0.003 19.045 19.000 0.081 0.000 1.019 79 A HN 0.707 nan 8.150 nan 0.000 0.490 80 L N 3.155 124.408 121.223 0.049 0.000 2.367 80 L HA 0.535 4.915 4.340 0.066 0.000 0.275 80 L C 0.602 177.481 176.870 0.015 0.000 1.129 80 L CA 1.111 55.966 54.840 0.026 0.000 0.839 80 L CB 0.514 42.579 42.059 0.011 0.000 1.133 80 L HN 0.893 nan 8.230 nan 0.000 0.453 81 T N 0.385 114.942 114.554 0.005 0.000 2.883 81 T HA 0.627 5.016 4.350 0.066 0.000 0.296 81 T C 0.145 174.846 174.700 0.003 0.000 1.117 81 T CA -0.206 61.899 62.100 0.009 0.000 1.006 81 T CB 1.044 69.919 68.868 0.013 0.000 1.191 81 T HN 0.834 nan 8.240 nan 0.000 0.508 82 T N 0.528 115.097 114.554 0.024 0.000 2.701 82 T HA 0.180 4.570 4.350 0.066 0.000 0.303 82 T C 1.080 175.798 174.700 0.030 0.000 1.030 82 T CA -0.418 61.704 62.100 0.038 0.000 1.010 82 T CB -0.048 68.887 68.868 0.111 0.000 1.007 82 T HN 0.571 nan 8.240 nan 0.000 0.532 83 N N 0.589 119.309 118.700 0.033 0.000 2.453 83 N HA -0.071 4.709 4.740 0.066 0.000 0.183 83 N C 1.602 177.132 175.510 0.034 0.000 1.041 83 N CA 0.576 53.638 53.050 0.020 0.000 0.900 83 N CB -0.166 38.340 38.487 0.033 0.000 0.961 83 N HN 0.570 nan 8.380 nan 0.000 0.443 84 Q N -0.501 119.333 119.800 0.057 0.000 2.403 84 Q HA 0.169 4.548 4.340 0.066 0.000 0.203 84 Q C 0.857 176.882 176.000 0.042 0.000 0.932 84 Q CA 0.271 56.105 55.803 0.051 0.000 0.945 84 Q CB 0.338 29.114 28.738 0.064 0.000 1.045 84 Q HN 0.408 nan 8.270 nan 0.000 0.511 85 G N 0.335 109.158 108.800 0.037 0.000 2.141 85 G HA2 -0.230 3.770 3.960 0.066 0.000 0.231 85 G HA3 -0.230 3.770 3.960 0.066 0.000 0.231 85 G C 0.053 174.981 174.900 0.046 0.000 0.984 85 G CA 0.105 45.222 45.100 0.028 0.000 0.660 85 G HN 0.218 nan 8.290 nan 0.000 0.525 86 V N 1.748 121.706 119.914 0.073 0.000 2.432 86 V HA 0.389 4.548 4.120 0.066 0.000 0.275 86 V C 1.260 177.395 176.094 0.068 0.000 1.043 86 V CA -0.633 61.723 62.300 0.093 0.000 0.925 86 V CB 1.159 33.086 31.823 0.174 0.000 0.985 86 V HN 0.396 nan 8.190 nan 0.000 0.466 87 R N 4.418 124.951 120.500 0.055 0.000 2.537 87 R HA 0.366 4.746 4.340 0.066 0.000 0.280 87 R C -0.541 175.773 176.300 0.024 0.000 1.058 87 R CA -0.063 56.059 56.100 0.037 0.000 1.057 87 R CB 0.530 30.852 30.300 0.036 0.000 0.973 87 R HN 0.575 nan 8.270 nan 0.000 0.438 88 I N 2.062 122.633 120.570 0.003 0.000 2.353 88 I HA 0.127 4.336 4.170 0.066 0.000 0.293 88 I C 0.979 177.085 176.117 -0.018 0.000 0.992 88 I CA -0.007 61.278 61.300 -0.025 0.000 1.268 88 I CB 1.869 39.843 38.000 -0.044 0.000 1.387 88 I HN 0.767 nan 8.210 nan 0.000 0.478 89 A N 4.017 126.822 122.820 -0.024 0.000 1.911 89 A HA 0.016 4.375 4.320 0.066 0.000 0.212 89 A C 0.649 178.218 177.584 -0.025 0.000 1.189 89 A CA 0.927 52.954 52.037 -0.017 0.000 0.639 89 A CB 0.055 19.048 19.000 -0.012 0.000 0.839 89 A HN 0.690 nan 8.150 nan 0.000 0.449 90 D N -0.679 119.697 120.400 -0.040 0.000 2.421 90 D HA 0.301 4.981 4.640 0.066 0.000 0.254 90 D C -1.251 175.017 176.300 -0.054 0.000 1.238 90 D CA -0.376 53.599 54.000 -0.041 0.000 0.919 90 D CB 1.102 41.878 40.800 -0.040 0.000 1.152 90 D HN 0.048 nan 8.370 nan 0.000 0.552 91 D N 1.906 122.277 120.400 -0.048 0.000 2.370 91 D HA 0.034 4.714 4.640 0.066 0.000 0.230 91 D C 0.681 176.949 176.300 -0.054 0.000 1.143 91 D CA 0.358 54.325 54.000 -0.055 0.000 0.834 91 D CB 0.509 41.282 40.800 -0.046 0.000 0.944 91 D HN 0.243 nan 8.370 nan 0.000 0.504 92 Q N -0.636 119.134 119.800 -0.050 0.000 2.281 92 Q HA 0.259 4.639 4.340 0.066 0.000 0.215 92 Q C -0.138 175.832 176.000 -0.050 0.000 0.867 92 Q CA 0.175 55.950 55.803 -0.047 0.000 0.940 92 Q CB 0.788 29.503 28.738 -0.038 0.000 1.111 92 Q HN 0.201 nan 8.270 nan 0.000 0.513 93 N N 0.022 118.690 118.700 -0.053 0.000 2.277 93 N HA 0.293 5.073 4.740 0.066 0.000 0.286 93 N C -1.033 174.442 175.510 -0.058 0.000 1.140 93 N CA -0.264 52.756 53.050 -0.050 0.000 0.799 93 N CB 2.114 40.577 38.487 -0.041 0.000 1.596 93 N HN -0.181 nan 8.380 nan 0.000 0.473 94 S N 0.775 116.444 115.700 -0.052 0.000 2.592 94 S HA 0.268 4.778 4.470 0.066 0.000 0.271 94 S C 0.180 174.754 174.600 -0.043 0.000 1.326 94 S CA -0.556 57.613 58.200 -0.051 0.000 1.024 94 S CB 0.716 63.892 63.200 -0.040 0.000 0.921 94 S HN 0.380 nan 8.310 nan 0.000 0.527 95 L N 3.741 124.939 121.223 -0.043 0.000 2.360 95 L HA 0.399 4.779 4.340 0.066 0.000 0.276 95 L C 0.124 176.986 176.870 -0.013 0.000 1.121 95 L CA 0.516 55.340 54.840 -0.026 0.000 0.845 95 L CB -0.101 41.946 42.059 -0.021 0.000 1.143 95 L HN 0.731 nan 8.230 nan 0.000 0.452 96 R N 4.132 124.627 120.500 -0.009 0.000 2.799 96 R HA 0.839 5.218 4.340 0.066 0.000 0.270 96 R C -1.221 175.079 176.300 -0.001 0.000 1.010 96 R CA -0.866 55.232 56.100 -0.004 0.000 0.916 96 R CB 1.096 31.391 30.300 -0.008 0.000 1.228 96 R HN 0.580 nan 8.270 nan 0.000 0.469 97 A N 1.385 124.206 122.820 0.002 0.000 2.527 97 A HA 0.579 4.938 4.320 0.066 0.000 0.313 97 A C 0.688 178.273 177.584 0.001 0.000 1.410 97 A CA 0.366 52.404 52.037 0.003 0.000 1.060 97 A CB -0.888 18.115 19.000 0.005 0.000 1.137 97 A HN 1.233 nan 8.150 nan 0.000 0.542 98 G N 1.405 110.204 108.800 -0.000 0.000 2.733 98 G HA2 -0.008 3.991 3.960 0.066 0.000 0.686 98 G HA3 -0.008 3.991 3.960 0.066 0.000 0.686 98 G C 0.783 175.680 174.900 -0.005 0.000 1.373 98 G CA 0.209 45.308 45.100 -0.002 0.000 0.838 98 G HN 1.919 nan 8.290 nan 0.000 0.588 99 S N -0.271 115.425 115.700 -0.006 0.000 2.474 99 S HA -0.012 4.497 4.470 0.066 0.000 0.235 99 S C 1.592 176.186 174.600 -0.009 0.000 0.997 99 S CA 1.433 59.627 58.200 -0.009 0.000 0.949 99 S CB 0.060 63.255 63.200 -0.009 0.000 0.766 99 S HN 0.751 nan 8.310 nan 0.000 0.517 100 R N 1.051 121.547 120.500 -0.007 0.000 2.552 100 R HA 0.349 4.729 4.340 0.066 0.000 0.314 100 R C 0.858 177.154 176.300 -0.006 0.000 1.041 100 R CA 0.060 56.156 56.100 -0.007 0.000 1.076 100 R CB 0.652 30.948 30.300 -0.006 0.000 1.290 100 R HN 0.467 nan 8.270 nan 0.000 0.563 101 G N 1.523 110.320 108.800 -0.005 0.000 2.642 101 G HA2 0.408 4.408 3.960 0.066 0.000 0.291 101 G HA3 0.408 4.408 3.960 0.066 0.000 0.291 101 G C -2.479 172.419 174.900 -0.003 0.000 1.345 101 G CA -1.168 43.930 45.100 -0.003 0.000 1.043 101 G HN -0.105 nan 8.290 nan 0.000 0.528 102 P HA 0.229 nan 4.420 nan 0.000 0.274 102 P C -0.199 177.101 177.300 -0.000 0.000 1.231 102 P CA -0.040 63.059 63.100 -0.000 0.000 0.790 102 P CB 0.915 32.617 31.700 0.003 0.000 0.951 103 T N 2.476 117.029 114.554 -0.001 0.000 2.919 103 T HA 0.279 4.668 4.350 0.066 0.000 0.302 103 T C 0.501 175.205 174.700 0.006 0.000 1.031 103 T CA -0.121 61.978 62.100 -0.001 0.000 1.127 103 T CB 0.027 68.892 68.868 -0.005 0.000 0.952 103 T HN 0.190 nan 8.240 nan 0.000 0.540 104 L N 3.173 124.402 121.223 0.010 0.000 2.343 104 L HA 0.363 4.743 4.340 0.066 0.000 0.275 104 L C 1.365 178.253 176.870 0.030 0.000 1.056 104 L CA -0.819 54.033 54.840 0.020 0.000 0.804 104 L CB 0.820 42.894 42.059 0.024 0.000 1.203 104 L HN 0.490 nan 8.230 nan 0.000 0.440 105 L N 1.858 123.102 121.223 0.036 0.000 2.201 105 L HA -0.162 4.217 4.340 0.066 0.000 0.212 105 L C 2.261 179.173 176.870 0.070 0.000 1.105 105 L CA 1.573 56.440 54.840 0.046 0.000 0.775 105 L CB -0.578 41.505 42.059 0.040 0.000 0.913 105 L HN 0.802 nan 8.230 nan 0.000 0.440 106 E N -1.638 118.607 120.200 0.076 0.000 2.516 106 E HA -0.173 4.217 4.350 0.066 0.000 0.199 106 E C 0.244 176.955 176.600 0.184 0.000 1.069 106 E CA 0.189 56.663 56.400 0.124 0.000 0.876 106 E CB -0.507 29.256 29.700 0.105 0.000 0.843 106 E HN 0.346 nan 8.360 nan 0.000 0.530 107 D N 1.313 121.772 120.400 0.098 0.000 2.540 107 D HA -0.066 4.613 4.640 0.066 0.000 0.237 107 D C 0.399 176.716 176.300 0.029 0.000 1.181 107 D CA -0.296 53.717 54.000 0.021 0.000 1.119 107 D CB -0.284 40.496 40.800 -0.033 0.000 1.119 107 D HN 0.344 nan 8.370 nan 0.000 0.498 108 F N 1.246 121.205 119.950 0.015 0.000 2.456 108 F HA 0.083 4.649 4.527 0.065 0.000 0.298 108 F C 1.637 177.450 175.800 0.022 0.000 1.104 108 F CA 0.075 58.087 58.000 0.020 0.000 1.435 108 F CB -0.607 38.404 39.000 0.019 0.000 1.078 108 F HN 0.144 nan 8.300 nan 0.000 0.546 109 I N 0.409 120.541 120.570 -0.729 0.000 2.202 109 I HA -0.207 4.002 4.170 0.066 0.000 0.242 109 I C 2.504 178.509 176.117 -0.188 0.000 1.091 109 I CA 1.063 62.075 61.300 -0.480 0.000 1.368 109 I CB -0.570 37.083 38.000 -0.578 0.000 1.058 109 I HN 0.270 nan 8.210 nan 0.000 0.410 110 L N 1.197 122.325 121.223 -0.159 0.000 1.971 110 L HA -0.243 4.136 4.340 0.066 0.000 0.215 110 L C 2.645 179.504 176.870 -0.017 0.000 1.072 110 L CA 1.972 56.766 54.840 -0.076 0.000 0.758 110 L CB -0.575 41.446 42.059 -0.063 0.000 0.889 110 L HN 0.070 nan 8.230 nan 0.000 0.433 111 R N -0.732 119.777 120.500 0.015 0.000 2.115 111 R HA -0.157 4.223 4.340 0.066 0.000 0.230 111 R C 2.298 178.654 176.300 0.094 0.000 1.111 111 R CA 1.339 57.478 56.100 0.064 0.000 0.976 111 R CB -0.373 29.980 30.300 0.089 0.000 0.870 111 R HN 0.596 nan 8.270 nan 0.000 0.445 112 E N 1.306 121.565 120.200 0.099 0.000 2.058 112 E HA -0.256 4.134 4.350 0.066 0.000 0.194 112 E C 1.936 178.613 176.600 0.129 0.000 0.997 112 E CA 1.376 57.852 56.400 0.125 0.000 0.801 112 E CB 0.093 29.869 29.700 0.128 0.000 0.746 112 E HN 0.150 nan 8.360 nan 0.000 0.450 113 K N 0.191 120.636 120.400 0.075 0.000 2.057 113 K HA -0.145 4.215 4.320 0.066 0.000 0.207 113 K C 2.137 178.813 176.600 0.127 0.000 1.049 113 K CA 1.311 57.643 56.287 0.075 0.000 0.931 113 K CB -0.030 32.470 32.500 -0.001 0.000 0.714 113 K HN 0.141 nan 8.250 nan 0.000 0.440 114 I N 1.298 121.924 120.570 0.093 0.000 2.315 114 I HA -0.185 4.025 4.170 0.066 0.000 0.248 114 I C 2.130 178.360 176.117 0.190 0.000 1.117 114 I CA 1.361 62.735 61.300 0.124 0.000 1.404 114 I CB -1.415 36.620 38.000 0.059 0.000 1.071 114 I HN 0.231 nan 8.210 nan 0.000 0.419 115 T N -0.361 114.295 114.554 0.170 0.000 2.746 115 T HA -0.207 4.182 4.350 0.066 0.000 0.267 115 T C 1.960 176.794 174.700 0.224 0.000 1.039 115 T CA 1.296 63.516 62.100 0.199 0.000 1.142 115 T CB -0.398 68.594 68.868 0.207 0.000 0.866 115 T HN 0.331 nan 8.240 nan 0.000 0.444 116 H N -0.047 119.119 119.070 0.161 0.000 2.353 116 H HA -0.072 4.523 4.556 0.066 0.000 0.300 116 H C 2.174 177.564 175.328 0.104 0.000 1.090 116 H CA 1.574 57.702 56.048 0.132 0.000 1.327 116 H CB -0.420 29.400 29.762 0.096 0.000 1.383 116 H HN 0.403 nan 8.280 nan 0.000 0.508 117 F N 2.000 122.002 119.950 0.088 0.000 2.102 117 F HA -0.174 4.393 4.527 0.067 0.000 0.298 117 F C 1.924 177.664 175.800 -0.100 0.000 1.105 117 F CA 1.630 59.635 58.000 0.008 0.000 1.239 117 F CB -0.319 38.681 39.000 0.002 0.000 0.991 117 F HN 0.038 nan 8.300 nan 0.000 0.474 118 D N -1.186 119.112 120.400 -0.170 0.000 2.350 118 D HA -0.122 4.558 4.640 0.066 0.000 0.216 118 D C 1.100 176.982 176.300 -0.696 0.000 0.968 118 D CA 1.095 54.830 54.000 -0.443 0.000 0.894 118 D CB -0.350 40.181 40.800 -0.449 0.000 0.909 118 D HN 0.499 nan 8.370 nan 0.000 0.520 119 H N -0.476 118.468 119.070 -0.210 0.000 2.510 119 H HA 0.219 4.815 4.556 0.067 0.000 0.266 119 H C 1.029 176.195 175.328 -0.269 0.000 1.146 119 H CA -0.134 55.792 56.048 -0.204 0.000 0.993 119 H CB 0.547 30.210 29.762 -0.165 0.000 1.727 119 H HN 0.249 nan 8.280 nan 0.000 0.590 120 E N 0.802 120.834 120.200 -0.280 0.000 2.110 120 E HA -0.062 4.328 4.350 0.066 0.000 0.193 120 E C 0.506 176.946 176.600 -0.268 0.000 0.988 120 E CA 0.675 56.886 56.400 -0.315 0.000 0.804 120 E CB 0.405 29.893 29.700 -0.353 0.000 0.745 120 E HN 0.190 nan 8.360 nan 0.000 0.458 121 R N 1.235 121.640 120.500 -0.159 0.000 2.410 121 R HA 0.341 4.721 4.340 0.066 0.000 0.288 121 R C 0.473 176.810 176.300 0.061 0.000 1.051 121 R CA -0.171 55.907 56.100 -0.037 0.000 1.021 121 R CB 0.731 31.005 30.300 -0.044 0.000 1.032 121 R HN 0.167 nan 8.270 nan 0.000 0.481 122 I N -0.986 119.690 120.570 0.176 0.000 3.067 122 I HA 0.607 4.816 4.170 0.066 0.000 0.312 122 I C -2.270 173.914 176.117 0.112 0.000 1.073 122 I CA -3.048 58.343 61.300 0.151 0.000 1.016 122 I CB 1.719 39.844 38.000 0.208 0.000 1.227 122 I HN 0.232 nan 8.210 nan 0.000 0.456 123 P HA 0.117 nan 4.420 nan 0.000 0.268 123 P C -0.946 176.387 177.300 0.055 0.000 1.204 123 P CA -0.126 63.005 63.100 0.051 0.000 0.768 123 P CB 0.458 32.177 31.700 0.032 0.000 0.842 124 E N 2.708 122.943 120.200 0.058 0.000 2.371 124 E HA 0.193 4.583 4.350 0.066 0.000 0.257 124 E C -0.457 176.171 176.600 0.047 0.000 1.134 124 E CA -0.825 55.614 56.400 0.065 0.000 0.919 124 E CB 0.625 30.369 29.700 0.073 0.000 1.025 124 E HN 0.250 nan 8.360 nan 0.000 0.438 125 R N 0.737 121.271 120.500 0.056 0.000 2.640 125 R HA -0.014 4.366 4.340 0.066 0.000 0.270 125 R C 1.311 177.646 176.300 0.057 0.000 1.024 125 R CA -0.381 55.749 56.100 0.049 0.000 1.085 125 R CB 0.271 30.619 30.300 0.081 0.000 0.963 125 R HN 0.574 nan 8.270 nan 0.000 0.426 126 I N 1.959 122.556 120.570 0.046 0.000 2.208 126 I HA -0.143 4.067 4.170 0.066 0.000 0.245 126 I C 1.222 177.389 176.117 0.083 0.000 1.097 126 I CA 1.523 62.859 61.300 0.059 0.000 1.363 126 I CB -1.089 36.948 38.000 0.063 0.000 1.051 126 I HN 0.392 nan 8.210 nan 0.000 0.413 127 V N -3.451 116.545 119.914 0.138 0.000 3.102 127 V HA 0.509 4.669 4.120 0.066 0.000 0.312 127 V C 0.447 176.710 176.094 0.282 0.000 1.135 127 V CA -0.862 61.545 62.300 0.178 0.000 1.022 127 V CB 1.748 33.740 31.823 0.282 0.000 1.056 127 V HN 0.427 nan 8.190 nan 0.000 0.436 128 H N 0.169 119.301 119.070 0.105 0.000 2.820 128 H HA -0.229 4.367 4.556 0.066 0.000 0.295 128 H C 1.562 176.937 175.328 0.078 0.000 1.187 128 H CA 0.769 56.871 56.048 0.091 0.000 1.144 128 H CB -1.212 28.591 29.762 0.070 0.000 1.354 128 H HN 1.161 nan 8.280 nan 0.000 0.395 129 A N 0.736 123.649 122.820 0.155 0.000 2.019 129 A HA -0.110 4.250 4.320 0.066 0.000 0.219 129 A C 1.667 179.343 177.584 0.153 0.000 1.164 129 A CA 1.353 53.469 52.037 0.132 0.000 0.644 129 A CB -0.082 18.976 19.000 0.095 0.000 0.805 129 A HN 0.293 nan 8.150 nan 0.000 0.449 130 R N -0.079 120.514 120.500 0.155 0.000 2.229 130 R HA 0.530 4.910 4.340 0.066 0.000 0.328 130 R C -0.148 176.280 176.300 0.213 0.000 1.009 130 R CA 0.709 56.919 56.100 0.182 0.000 0.864 130 R CB 0.549 30.944 30.300 0.158 0.000 1.085 130 R HN 0.330 nan 8.270 nan 0.000 0.453 131 G N 0.762 109.714 108.800 0.253 0.000 2.601 131 G HA2 0.495 4.495 3.960 0.066 0.000 0.291 131 G HA3 0.495 4.495 3.960 0.066 0.000 0.291 131 G C -1.650 173.411 174.900 0.268 0.000 1.456 131 G CA -0.604 44.610 45.100 0.190 0.000 0.804 131 G HN 0.507 nan 8.290 nan 0.000 0.499 132 S N -1.086 114.711 115.700 0.161 0.000 2.547 132 S HA 0.894 5.404 4.470 0.066 0.000 0.281 132 S C -0.223 174.385 174.600 0.013 0.000 1.118 132 S CA -0.061 58.294 58.200 0.258 0.000 0.947 132 S CB 1.730 65.186 63.200 0.425 0.000 1.053 132 S HN 1.678 nan 8.310 nan 0.000 0.482 133 A N 1.555 124.350 122.820 -0.041 0.000 2.515 133 A HA 1.027 5.387 4.320 0.066 0.000 0.296 133 A C -0.962 176.422 177.584 -0.333 0.000 1.094 133 A CA -0.660 51.128 52.037 -0.415 0.000 0.718 133 A CB 1.622 20.222 19.000 -0.666 0.000 1.307 133 A HN 1.334 nan 8.150 nan 0.000 0.408 134 A N 0.585 123.054 122.820 -0.584 0.000 2.609 134 A HA 0.754 5.114 4.320 0.066 0.000 0.291 134 A C -1.143 176.243 177.584 -0.332 0.000 1.096 134 A CA -0.636 51.220 52.037 -0.302 0.000 0.684 134 A CB 0.822 19.739 19.000 -0.138 0.000 1.282 134 A HN 0.881 nan 8.150 nan 0.000 0.412 135 H N -0.450 118.642 119.070 0.037 0.000 2.483 135 H HA 0.698 5.294 4.556 0.066 0.000 0.338 135 H C 0.584 175.911 175.328 -0.001 0.000 1.152 135 H CA 0.800 56.929 56.048 0.135 0.000 1.264 135 H CB 1.875 31.714 29.762 0.128 0.000 1.510 135 H HN 1.160 nan 8.280 nan 0.000 0.530 136 G N 0.735 109.628 108.800 0.156 0.000 2.510 136 G HA2 0.328 4.328 3.960 0.066 0.000 0.277 136 G HA3 0.328 4.328 3.960 0.066 0.000 0.277 136 G C -2.051 172.962 174.900 0.187 0.000 1.223 136 G CA -0.596 44.554 45.100 0.083 0.000 0.887 136 G HN 0.617 nan 8.290 nan 0.000 0.485 137 Y N -1.632 118.708 120.300 0.066 0.000 2.597 137 Y HA 0.843 5.432 4.550 0.065 0.000 0.340 137 Y C -1.701 174.338 175.900 0.230 0.000 1.097 137 Y CA -2.030 56.153 58.100 0.138 0.000 1.037 137 Y CB 1.837 40.348 38.460 0.086 0.000 1.305 137 Y HN 0.860 nan 8.280 nan 0.000 0.463 138 F N 3.025 123.121 119.950 0.243 0.000 2.576 138 F HA 0.688 5.256 4.527 0.068 0.000 0.313 138 F C -1.466 174.537 175.800 0.339 0.000 1.078 138 F CA -0.544 57.608 58.000 0.253 0.000 0.921 138 F CB 2.208 41.486 39.000 0.463 0.000 1.232 138 F HN 0.814 nan 8.300 nan 0.000 0.459 139 Q N 5.480 124.786 119.800 -0.824 0.000 2.340 139 Q HA 0.585 4.964 4.340 0.066 0.000 0.276 139 Q C -3.325 172.014 176.000 -1.101 0.000 1.048 139 Q CA -2.263 53.141 55.803 -0.666 0.000 0.832 139 Q CB 2.878 31.541 28.738 -0.126 0.000 1.373 139 Q HN 0.328 nan 8.270 nan 0.000 0.409 140 P HA 0.078 nan 4.420 nan 0.000 0.276 140 P C -0.381 176.776 177.300 -0.239 0.000 1.244 140 P CA -0.209 62.632 63.100 -0.431 0.000 0.801 140 P CB 0.755 32.383 31.700 -0.121 0.000 1.006 141 Y N 0.320 120.557 120.300 -0.105 0.000 2.286 141 Y HA -0.046 4.544 4.550 0.067 0.000 0.293 141 Y C 1.493 177.365 175.900 -0.047 0.000 1.124 141 Y CA 0.497 58.559 58.100 -0.064 0.000 1.178 141 Y CB 0.257 38.687 38.460 -0.050 0.000 1.010 141 Y HN 0.358 nan 8.280 nan 0.000 0.536 142 K N -0.896 119.570 120.400 0.111 0.000 2.555 142 K HA 0.383 4.742 4.320 0.066 0.000 0.279 142 K C -0.892 175.713 176.600 0.009 0.000 0.986 142 K CA -0.940 55.378 56.287 0.051 0.000 0.880 142 K CB 1.606 34.135 32.500 0.048 0.000 1.474 142 K HN -0.230 nan 8.250 nan 0.000 0.433 143 S N 1.048 116.750 115.700 0.003 0.000 2.537 143 S HA 0.112 4.621 4.470 0.066 0.000 0.286 143 S C 0.469 175.057 174.600 -0.020 0.000 1.299 143 S CA -0.588 57.604 58.200 -0.013 0.000 1.067 143 S CB -0.200 62.995 63.200 -0.007 0.000 0.864 143 S HN 0.561 nan 8.310 nan 0.000 0.494 144 L N 4.847 126.046 121.223 -0.039 0.000 2.791 144 L HA 0.125 4.505 4.340 0.066 0.000 0.239 144 L C 2.053 178.907 176.870 -0.027 0.000 1.203 144 L CA 0.003 54.826 54.840 -0.028 0.000 1.002 144 L CB -0.330 41.713 42.059 -0.028 0.000 1.295 144 L HN 0.867 nan 8.230 nan 0.000 0.504 145 S N -1.871 113.812 115.700 -0.029 0.000 2.469 145 S HA -0.177 4.332 4.470 0.066 0.000 0.238 145 S C 1.279 175.864 174.600 -0.025 0.000 0.998 145 S CA 0.971 59.154 58.200 -0.030 0.000 0.957 145 S CB -0.148 63.038 63.200 -0.022 0.000 0.764 145 S HN 0.394 nan 8.310 nan 0.000 0.514 146 D N 2.032 122.422 120.400 -0.017 0.000 2.219 146 D HA 0.013 4.692 4.640 0.066 0.000 0.205 146 D C 1.815 178.101 176.300 -0.023 0.000 0.970 146 D CA 1.396 55.386 54.000 -0.016 0.000 0.851 146 D CB -0.159 40.637 40.800 -0.007 0.000 0.943 146 D HN 0.801 nan 8.370 nan 0.000 0.488 147 I N -4.127 116.431 120.570 -0.020 0.000 4.139 147 I HA 0.217 4.427 4.170 0.066 0.000 0.320 147 I C 0.430 176.511 176.117 -0.060 0.000 1.290 147 I CA 0.044 61.325 61.300 -0.032 0.000 1.253 147 I CB 1.157 39.160 38.000 0.006 0.000 1.122 147 I HN -0.257 nan 8.210 nan 0.000 0.421 148 T N 1.658 116.179 114.554 -0.056 0.000 2.982 148 T HA 0.306 4.695 4.350 0.066 0.000 0.321 148 T C -0.081 174.569 174.700 -0.083 0.000 1.229 148 T CA -0.706 61.343 62.100 -0.086 0.000 1.044 148 T CB 1.758 70.567 68.868 -0.097 0.000 1.184 148 T HN 0.431 nan 8.240 nan 0.000 0.477 149 K N 2.535 122.885 120.400 -0.084 0.000 2.417 149 K HA 0.571 4.930 4.320 0.066 0.000 0.196 149 K C 0.732 177.297 176.600 -0.060 0.000 1.023 149 K CA -0.328 55.921 56.287 -0.063 0.000 1.122 149 K CB 0.256 32.724 32.500 -0.053 0.000 0.850 149 K HN 0.502 nan 8.250 nan 0.000 0.521 150 A N 2.147 124.910 122.820 -0.095 0.000 2.548 150 A HA -0.067 4.292 4.320 0.066 0.000 0.247 150 A C 0.573 178.122 177.584 -0.058 0.000 1.067 150 A CA 0.176 52.168 52.037 -0.075 0.000 0.757 150 A CB 0.073 18.968 19.000 -0.175 0.000 0.996 150 A HN 0.488 nan 8.150 nan 0.000 0.504 151 D N 2.021 122.462 120.400 0.069 0.000 2.144 151 D HA -0.205 4.475 4.640 0.066 0.000 0.199 151 D C 1.298 177.671 176.300 0.121 0.000 0.984 151 D CA 2.078 56.130 54.000 0.086 0.000 0.834 151 D CB -0.227 40.646 40.800 0.122 0.000 0.955 151 D HN 0.722 nan 8.370 nan 0.000 0.465 152 F N -0.762 119.209 119.950 0.034 0.000 2.699 152 F HA 0.211 4.778 4.527 0.067 0.000 0.298 152 F C 0.900 176.795 175.800 0.158 0.000 1.154 152 F CA 0.279 58.342 58.000 0.105 0.000 1.457 152 F CB -0.136 38.913 39.000 0.083 0.000 1.106 152 F HN -0.063 nan 8.300 nan 0.000 0.585 153 L N 0.680 121.609 121.223 -0.491 0.000 2.959 153 L HA 0.208 4.587 4.340 0.066 0.000 0.259 153 L C 1.766 178.541 176.870 -0.158 0.000 1.185 153 L CA 0.333 54.940 54.840 -0.389 0.000 0.998 153 L CB 0.083 41.793 42.059 -0.582 0.000 1.337 153 L HN 0.321 nan 8.230 nan 0.000 0.555 154 S N -2.523 113.129 115.700 -0.080 0.000 2.517 154 S HA 0.072 4.582 4.470 0.066 0.000 0.214 154 S C 0.337 174.932 174.600 -0.008 0.000 0.991 154 S CA -0.154 58.023 58.200 -0.038 0.000 0.906 154 S CB 0.226 63.417 63.200 -0.015 0.000 0.789 154 S HN 0.330 nan 8.310 nan 0.000 0.513 155 D N 0.791 121.197 120.400 0.009 0.000 2.966 155 D HA 0.335 5.014 4.640 0.066 0.000 0.222 155 D C -2.590 173.723 176.300 0.021 0.000 1.292 155 D CA -1.855 52.157 54.000 0.020 0.000 0.907 155 D CB 2.140 42.960 40.800 0.033 0.000 1.621 155 D HN -0.152 nan 8.370 nan 0.000 0.557 156 P HA -0.030 nan 4.420 nan 0.000 0.228 156 P C 0.287 177.600 177.300 0.023 0.000 1.151 156 P CA 0.595 63.705 63.100 0.016 0.000 0.770 156 P CB 0.378 32.100 31.700 0.036 0.000 0.786 157 N N -0.358 118.361 118.700 0.032 0.000 2.235 157 N HA 0.073 4.853 4.740 0.066 0.000 0.209 157 N C 0.259 175.799 175.510 0.049 0.000 1.122 157 N CA 0.119 53.190 53.050 0.035 0.000 0.845 157 N CB 0.573 39.077 38.487 0.028 0.000 1.004 157 N HN 0.258 nan 8.380 nan 0.000 0.499 158 K N 1.299 121.740 120.400 0.067 0.000 2.234 158 K HA 0.403 4.763 4.320 0.066 0.000 0.277 158 K C -0.187 176.504 176.600 0.151 0.000 1.038 158 K CA -0.327 56.022 56.287 0.103 0.000 0.888 158 K CB 1.777 34.344 32.500 0.111 0.000 1.091 158 K HN -0.055 nan 8.250 nan 0.000 0.467 159 I N 2.462 123.122 120.570 0.150 0.000 2.353 159 I HA 0.133 4.343 4.170 0.066 0.000 0.293 159 I C 0.077 176.366 176.117 0.287 0.000 0.992 159 I CA -0.271 61.154 61.300 0.209 0.000 1.268 159 I CB 1.716 39.782 38.000 0.109 0.000 1.387 159 I HN 0.437 nan 8.210 nan 0.000 0.478 160 T N 7.328 122.142 114.554 0.434 0.000 2.770 160 T HA 0.352 4.742 4.350 0.066 0.000 0.283 160 T C -2.476 172.487 174.700 0.439 0.000 0.988 160 T CA -1.400 60.974 62.100 0.456 0.000 0.957 160 T CB 1.617 70.869 68.868 0.641 0.000 0.930 160 T HN 0.245 nan 8.240 nan 0.000 0.443 161 P HA 0.261 nan 4.420 nan 0.000 0.269 161 P C -0.691 176.852 177.300 0.405 0.000 1.209 161 P CA -0.394 62.899 63.100 0.321 0.000 0.776 161 P CB 0.540 32.346 31.700 0.177 0.000 0.876 162 V N 0.130 120.223 119.914 0.298 0.000 3.040 162 V HA 0.737 4.897 4.120 0.066 0.000 0.312 162 V C -1.376 174.875 176.094 0.260 0.000 1.115 162 V CA -0.961 61.414 62.300 0.124 0.000 0.998 162 V CB 2.277 33.955 31.823 -0.243 0.000 1.042 162 V HN 0.309 nan 8.190 nan 0.000 0.433 163 F N 2.277 122.208 119.950 -0.032 0.000 2.539 163 F HA 0.846 5.412 4.527 0.065 0.000 0.318 163 F C -0.875 174.814 175.800 -0.184 0.000 1.135 163 F CA -0.802 57.116 58.000 -0.138 0.000 0.915 163 F CB 1.958 40.907 39.000 -0.084 0.000 1.176 163 F HN 0.532 nan 8.300 nan 0.000 0.440 164 V N 6.642 126.041 119.914 -0.858 0.000 2.555 164 V HA 0.583 4.743 4.120 0.066 0.000 0.302 164 V C -0.642 174.761 176.094 -1.151 0.000 1.038 164 V CA -0.836 60.912 62.300 -0.920 0.000 0.887 164 V CB 1.982 33.209 31.823 -0.994 0.000 0.991 164 V HN 0.743 nan 8.190 nan 0.000 0.434 165 R N 3.217 123.047 120.500 -1.116 0.000 2.534 165 R HA 0.653 5.033 4.340 0.066 0.000 0.301 165 R C -1.685 173.974 176.300 -1.068 0.000 0.961 165 R CA -0.445 55.083 56.100 -0.954 0.000 0.871 165 R CB 1.327 31.239 30.300 -0.647 0.000 1.170 165 R HN 0.556 nan 8.270 nan 0.000 0.446 166 F N 1.757 121.272 119.950 -0.724 0.000 2.458 166 F HA 0.521 5.088 4.527 0.067 0.000 0.330 166 F C 0.368 175.791 175.800 -0.628 0.000 1.082 166 F CA -0.305 57.145 58.000 -0.917 0.000 0.995 166 F CB 2.222 40.159 39.000 -1.772 0.000 1.170 166 F HN 0.578 nan 8.300 nan 0.000 0.478 167 S N -0.906 114.713 115.700 -0.134 0.000 2.596 167 S HA 0.686 5.195 4.470 0.066 0.000 0.270 167 S C -0.523 174.228 174.600 0.252 0.000 1.155 167 S CA -0.845 57.430 58.200 0.124 0.000 0.827 167 S CB 1.468 64.789 63.200 0.201 0.000 1.130 167 S HN 0.711 nan 8.310 nan 0.000 0.467 168 T N -1.443 113.255 114.554 0.241 0.000 2.891 168 T HA 0.672 5.062 4.350 0.066 0.000 0.294 168 T C 0.807 175.492 174.700 -0.025 0.000 1.065 168 T CA -0.093 62.109 62.100 0.171 0.000 0.936 168 T CB 0.196 69.165 68.868 0.168 0.000 1.415 168 T HN 0.598 nan 8.240 nan 0.000 0.572 169 V N -0.147 119.706 119.914 -0.102 0.000 3.029 169 V HA 0.144 4.303 4.120 0.066 0.000 0.230 169 V C 2.707 178.728 176.094 -0.122 0.000 1.254 169 V CA 0.301 62.407 62.300 -0.324 0.000 1.276 169 V CB -0.280 31.420 31.823 -0.205 0.000 1.080 169 V HN 0.856 nan 8.190 nan 0.000 0.495 170 Q N 1.069 120.836 119.800 -0.055 0.000 2.123 170 Q HA 0.083 4.463 4.340 0.066 0.000 0.196 170 Q C 1.225 177.206 176.000 -0.032 0.000 0.958 170 Q CA 1.330 57.099 55.803 -0.056 0.000 0.841 170 Q CB -0.022 28.670 28.738 -0.076 0.000 0.915 170 Q HN 0.589 nan 8.270 nan 0.000 0.455 171 G N -0.282 108.514 108.800 -0.007 0.000 2.562 171 G HA2 0.435 4.434 3.960 0.066 0.000 0.275 171 G HA3 0.435 4.434 3.960 0.066 0.000 0.275 171 G C 0.036 174.947 174.900 0.019 0.000 1.196 171 G CA 0.015 45.115 45.100 0.000 0.000 0.908 171 G HN 0.315 nan 8.290 nan 0.000 0.524 172 G N -1.326 107.481 108.800 0.012 0.000 2.651 172 G HA2 0.471 4.470 3.960 0.066 0.000 0.260 172 G HA3 0.471 4.470 3.960 0.066 0.000 0.260 172 G C 1.330 176.263 174.900 0.055 0.000 1.216 172 G CA 0.464 45.580 45.100 0.027 0.000 0.913 172 G HN 1.072 nan 8.290 nan 0.000 0.535 173 A N -0.407 122.457 122.820 0.072 0.000 2.024 173 A HA 0.097 4.457 4.320 0.066 0.000 0.220 173 A C 2.195 179.823 177.584 0.073 0.000 1.164 173 A CA 1.992 54.092 52.037 0.106 0.000 0.643 173 A CB -0.363 18.717 19.000 0.133 0.000 0.806 173 A HN 1.156 nan 8.150 nan 0.000 0.451 174 G N -0.224 108.599 108.800 0.039 0.000 3.371 174 G HA2 0.354 4.353 3.960 0.066 0.000 0.248 174 G HA3 0.354 4.353 3.960 0.066 0.000 0.248 174 G C 0.641 175.546 174.900 0.008 0.000 1.161 174 G CA 0.644 45.751 45.100 0.012 0.000 0.796 174 G HN 0.651 nan 8.290 nan 0.000 0.539 175 S N -0.271 115.444 115.700 0.024 0.000 2.671 175 S HA 0.773 5.283 4.470 0.066 0.000 0.272 175 S C 0.434 175.051 174.600 0.029 0.000 1.174 175 S CA -0.119 58.091 58.200 0.017 0.000 1.004 175 S CB 1.584 64.795 63.200 0.019 0.000 1.077 175 S HN 0.542 nan 8.310 nan 0.000 0.553 176 A N -0.006 122.827 122.820 0.022 0.000 2.286 176 A HA 0.479 4.838 4.320 0.066 0.000 0.286 176 A C 0.547 178.158 177.584 0.046 0.000 1.097 176 A CA -0.608 51.440 52.037 0.018 0.000 0.821 176 A CB -0.009 18.984 19.000 -0.011 0.000 1.076 176 A HN 0.843 nan 8.150 nan 0.000 0.490 177 D N 0.409 120.827 120.400 0.029 0.000 2.120 177 D HA -0.068 4.612 4.640 0.066 0.000 0.202 177 D C 1.621 177.911 176.300 -0.017 0.000 0.972 177 D CA 2.298 56.326 54.000 0.047 0.000 0.837 177 D CB -0.256 40.525 40.800 -0.031 0.000 0.989 177 D HN 0.672 nan 8.370 nan 0.000 0.469 178 T N -0.117 114.343 114.554 -0.156 0.000 3.332 178 T HA 0.286 4.676 4.350 0.066 0.000 0.246 178 T C 0.819 175.520 174.700 0.001 0.000 0.943 178 T CA -0.568 61.442 62.100 -0.150 0.000 0.922 178 T CB -0.975 67.725 68.868 -0.279 0.000 1.086 178 T HN -0.076 nan 8.240 nan 0.000 0.590 179 V N -1.296 118.667 119.914 0.081 0.000 3.319 179 V HA 0.432 4.592 4.120 0.066 0.000 0.303 179 V C 0.720 176.959 176.094 0.241 0.000 1.094 179 V CA -1.423 60.972 62.300 0.159 0.000 1.106 179 V CB 0.399 32.300 31.823 0.131 0.000 1.099 179 V HN 0.539 nan 8.190 nan 0.000 0.476 180 R N 1.619 122.310 120.500 0.319 0.000 2.216 180 R HA 0.457 4.836 4.340 0.066 0.000 0.332 180 R C -0.958 175.417 176.300 0.124 0.000 1.056 180 R CA -0.037 56.195 56.100 0.220 0.000 0.901 180 R CB 0.095 30.450 30.300 0.092 0.000 1.039 180 R HN 1.058 nan 8.270 nan 0.000 0.456 181 D N 3.197 123.683 120.400 0.144 0.000 2.710 181 D HA 0.187 4.866 4.640 0.066 0.000 0.276 181 D C -0.622 175.787 176.300 0.181 0.000 1.267 181 D CA -0.601 53.474 54.000 0.125 0.000 0.772 181 D CB 1.198 42.068 40.800 0.116 0.000 1.299 181 D HN 0.208 nan 8.370 nan 0.000 0.421 182 I N 1.254 121.947 120.570 0.206 0.000 2.882 182 I HA 0.261 4.470 4.170 0.066 0.000 0.286 182 I C 0.833 177.086 176.117 0.227 0.000 1.139 182 I CA -0.099 61.334 61.300 0.220 0.000 1.379 182 I CB 0.108 38.260 38.000 0.254 0.000 1.410 182 I HN 0.235 nan 8.210 nan 0.000 0.594 183 R N 2.483 123.141 120.500 0.264 0.000 2.589 183 R HA 0.563 4.943 4.340 0.066 0.000 0.293 183 R C -0.059 176.435 176.300 0.323 0.000 0.963 183 R CA -0.759 55.518 56.100 0.295 0.000 0.905 183 R CB 1.501 31.999 30.300 0.329 0.000 1.144 183 R HN 0.812 nan 8.270 nan 0.000 0.459 184 G N 0.842 109.852 108.800 0.350 0.000 2.448 184 G HA2 0.477 4.477 3.960 0.066 0.000 0.285 184 G HA3 0.477 4.477 3.960 0.066 0.000 0.285 184 G C -1.254 173.727 174.900 0.134 0.000 1.176 184 G CA -0.030 45.242 45.100 0.286 0.000 0.852 184 G HN 0.359 nan 8.290 nan 0.000 0.530 185 F N 1.580 121.422 119.950 -0.179 0.000 3.228 185 F HA 0.612 5.178 4.527 0.065 0.000 0.385 185 F C -0.266 175.226 175.800 -0.514 0.000 1.247 185 F CA -1.788 56.001 58.000 -0.353 0.000 1.211 185 F CB 0.876 39.794 39.000 -0.135 0.000 1.719 185 F HN 0.673 nan 8.300 nan 0.000 0.630 186 A N 3.230 125.768 122.820 -0.470 0.000 2.288 186 A HA 0.783 5.143 4.320 0.066 0.000 0.320 186 A C -0.529 176.610 177.584 -0.742 0.000 1.217 186 A CA -0.409 51.184 52.037 -0.740 0.000 0.840 186 A CB 0.770 18.954 19.000 -1.361 0.000 1.179 186 A HN 0.522 nan 8.150 nan 0.000 0.504 187 T N 2.431 116.718 114.554 -0.444 0.000 2.809 187 T HA 0.379 4.769 4.350 0.066 0.000 0.284 187 T C -0.333 174.167 174.700 -0.332 0.000 0.992 187 T CA -0.479 61.351 62.100 -0.450 0.000 0.957 187 T CB 1.025 69.557 68.868 -0.560 0.000 0.942 187 T HN 0.644 nan 8.240 nan 0.000 0.439 188 K N 3.658 123.939 120.400 -0.198 0.000 2.253 188 K HA 0.449 4.809 4.320 0.066 0.000 0.277 188 K C -1.280 174.989 176.600 -0.553 0.000 1.053 188 K CA -0.556 55.524 56.287 -0.345 0.000 0.892 188 K CB 0.350 32.589 32.500 -0.435 0.000 1.102 188 K HN 0.386 nan 8.250 nan 0.000 0.469 189 F N 4.076 123.730 119.950 -0.493 0.000 2.405 189 F HA 0.246 4.812 4.527 0.064 0.000 0.355 189 F C -0.422 175.175 175.800 -0.338 0.000 1.121 189 F CA -0.589 57.195 58.000 -0.359 0.000 1.112 189 F CB 0.820 39.516 39.000 -0.508 0.000 1.126 189 F HN 0.447 nan 8.300 nan 0.000 0.481 190 Y N 1.826 122.191 120.300 0.109 0.000 2.714 190 Y HA 0.223 4.813 4.550 0.066 0.000 0.333 190 Y C 0.967 176.925 175.900 0.097 0.000 1.220 190 Y CA -0.862 57.278 58.100 0.068 0.000 1.513 190 Y CB -0.035 38.453 38.460 0.048 0.000 1.435 190 Y HN 0.545 nan 8.280 nan 0.000 0.489 191 T N -2.574 112.077 114.554 0.163 0.000 2.874 191 T HA 0.154 4.544 4.350 0.066 0.000 0.281 191 T C 1.045 175.839 174.700 0.156 0.000 0.994 191 T CA -0.676 61.523 62.100 0.166 0.000 1.015 191 T CB 1.082 70.017 68.868 0.112 0.000 1.028 191 T HN 0.642 nan 8.240 nan 0.000 0.523 192 E N 0.157 120.454 120.200 0.162 0.000 2.409 192 E HA -0.075 4.315 4.350 0.066 0.000 0.198 192 E C 1.123 177.790 176.600 0.111 0.000 1.024 192 E CA 0.836 57.313 56.400 0.128 0.000 0.861 192 E CB 0.103 29.875 29.700 0.119 0.000 0.788 192 E HN 0.735 nan 8.360 nan 0.000 0.521 193 E N -0.033 120.235 120.200 0.114 0.000 2.624 193 E HA 0.249 4.639 4.350 0.066 0.000 0.210 193 E C 0.153 176.801 176.600 0.081 0.000 0.997 193 E CA -0.169 56.290 56.400 0.099 0.000 0.999 193 E CB 1.295 31.058 29.700 0.105 0.000 1.040 193 E HN 0.183 nan 8.360 nan 0.000 0.469 194 G N 1.115 109.958 108.800 0.071 0.000 2.392 194 G HA2 -0.104 3.896 3.960 0.066 0.000 0.677 194 G HA3 -0.104 3.896 3.960 0.066 0.000 0.677 194 G C -0.960 173.946 174.900 0.011 0.000 1.334 194 G CA -1.106 44.013 45.100 0.032 0.000 0.961 194 G HN 0.012 nan 8.290 nan 0.000 0.616 195 I N 0.596 121.137 120.570 -0.049 0.000 2.496 195 I HA 0.410 4.619 4.170 0.066 0.000 0.285 195 I C 0.006 176.124 176.117 0.002 0.000 1.080 195 I CA -0.094 61.151 61.300 -0.093 0.000 1.404 195 I CB 0.910 38.783 38.000 -0.211 0.000 1.403 195 I HN 0.455 nan 8.210 nan 0.000 0.539 196 F N 6.436 126.270 119.950 -0.194 0.000 2.449 196 F HA 0.443 5.008 4.527 0.063 0.000 0.342 196 F C -0.552 175.202 175.800 -0.077 0.000 1.127 196 F CA -1.277 56.605 58.000 -0.197 0.000 0.975 196 F CB 0.772 39.476 39.000 -0.492 0.000 1.146 196 F HN 0.342 nan 8.300 nan 0.000 0.444 197 D N 6.841 127.050 120.400 -0.318 0.000 2.303 197 D HA 0.256 4.935 4.640 0.066 0.000 0.236 197 D C -0.689 175.127 176.300 -0.806 0.000 1.068 197 D CA 0.005 53.753 54.000 -0.420 0.000 0.830 197 D CB 2.247 42.997 40.800 -0.083 0.000 1.109 197 D HN 0.622 nan 8.370 nan 0.000 0.496 198 L N 3.177 123.874 121.223 -0.877 0.000 2.264 198 L HA 0.325 4.704 4.340 0.066 0.000 0.287 198 L C -1.026 175.608 176.870 -0.393 0.000 1.039 198 L CA -0.623 53.772 54.840 -0.742 0.000 0.829 198 L CB 0.779 42.417 42.059 -0.702 0.000 1.211 198 L HN 0.049 nan 8.230 nan 0.000 0.427 199 V N 5.655 125.381 119.914 -0.314 0.000 2.239 199 V HA 0.479 4.638 4.120 0.066 0.000 0.267 199 V C 0.787 176.779 176.094 -0.171 0.000 1.056 199 V CA -0.339 61.792 62.300 -0.282 0.000 0.830 199 V CB 0.643 32.258 31.823 -0.347 0.000 1.090 199 V HN 0.840 nan 8.190 nan 0.000 0.459 200 G N 3.064 111.781 108.800 -0.140 0.000 2.601 200 G HA2 0.657 4.657 3.960 0.066 0.000 0.317 200 G HA3 0.657 4.657 3.960 0.066 0.000 0.317 200 G C -0.787 174.133 174.900 0.033 0.000 1.246 200 G CA -0.561 44.511 45.100 -0.046 0.000 1.012 200 G HN 0.487 nan 8.290 nan 0.000 0.494 201 N N -1.080 117.686 118.700 0.110 0.000 2.761 201 N HA 0.239 5.019 4.740 0.066 0.000 0.283 201 N C 0.365 176.047 175.510 0.288 0.000 1.377 201 N CA -0.769 52.405 53.050 0.207 0.000 0.791 201 N CB 1.423 40.019 38.487 0.181 0.000 1.540 201 N HN 0.525 nan 8.380 nan 0.000 0.539 202 N N -1.387 117.502 118.700 0.315 0.000 2.314 202 N HA -0.007 4.772 4.740 0.066 0.000 0.200 202 N C -0.414 175.345 175.510 0.416 0.000 1.135 202 N CA -0.073 53.216 53.050 0.399 0.000 0.835 202 N CB -0.155 38.548 38.487 0.361 0.000 0.989 202 N HN 0.555 nan 8.380 nan 0.000 0.478 203 T N -3.602 111.012 114.554 0.100 0.000 2.916 203 T HA 0.479 4.869 4.350 0.066 0.000 0.292 203 T C -2.596 171.505 174.700 -0.999 0.000 1.055 203 T CA -1.663 60.064 62.100 -0.621 0.000 1.009 203 T CB 2.871 71.233 68.868 -0.843 0.000 1.118 203 T HN -0.232 nan 8.240 nan 0.000 0.497 204 P HA 0.226 nan 4.420 nan 0.000 0.255 204 P C 0.250 177.052 177.300 -0.830 0.000 1.248 204 P CA -0.007 62.233 63.100 -1.434 0.000 0.807 204 P CB -0.129 30.651 31.700 -1.533 0.000 1.150 205 I N -4.226 115.825 120.570 -0.865 0.000 3.343 205 I HA 0.569 4.779 4.170 0.066 0.000 0.315 205 I C -1.363 174.489 176.117 -0.441 0.000 1.153 205 I CA -2.238 58.701 61.300 -0.601 0.000 0.952 205 I CB 1.205 38.818 38.000 -0.646 0.000 1.287 205 I HN -0.240 nan 8.210 nan 0.000 0.472 206 F N 0.302 119.965 119.950 -0.477 0.000 2.618 206 F HA 0.513 5.081 4.527 0.068 0.000 0.332 206 F C 0.432 175.967 175.800 -0.442 0.000 1.061 206 F CA -0.779 56.964 58.000 -0.428 0.000 0.974 206 F CB 1.931 40.819 39.000 -0.186 0.000 1.310 206 F HN 0.388 nan 8.300 nan 0.000 0.491 207 F N 2.353 121.487 119.950 -1.359 0.000 2.293 207 F HA -0.011 4.554 4.527 0.065 0.000 0.300 207 F C 0.724 176.226 175.800 -0.498 0.000 1.086 207 F CA 0.888 58.296 58.000 -0.986 0.000 1.375 207 F CB -0.202 37.786 39.000 -1.687 0.000 1.045 207 F HN 0.149 nan 8.300 nan 0.000 0.516 208 I N -3.548 117.007 120.570 -0.025 0.000 3.042 208 I HA 0.361 4.570 4.170 0.066 0.000 0.310 208 I C 0.328 176.602 176.117 0.261 0.000 1.117 208 I CA -0.855 60.548 61.300 0.173 0.000 1.003 208 I CB 1.925 40.096 38.000 0.284 0.000 1.228 208 I HN -0.191 nan 8.210 nan 0.000 0.443 209 Q N 0.265 120.215 119.800 0.249 0.000 2.324 209 Q HA 0.151 4.531 4.340 0.066 0.000 0.207 209 Q C -0.334 175.838 176.000 0.287 0.000 0.928 209 Q CA 0.600 56.588 55.803 0.309 0.000 0.890 209 Q CB 0.527 29.513 28.738 0.413 0.000 1.001 209 Q HN 0.634 nan 8.270 nan 0.000 0.517 210 D N -1.015 119.525 120.400 0.235 0.000 2.505 210 D HA 0.303 4.982 4.640 0.066 0.000 0.249 210 D C -0.032 176.390 176.300 0.203 0.000 1.082 210 D CA -0.225 53.881 54.000 0.177 0.000 0.839 210 D CB 1.848 42.728 40.800 0.133 0.000 1.317 210 D HN 0.056 nan 8.370 nan 0.000 0.497 211 A N 3.420 126.329 122.820 0.148 0.000 2.076 211 A HA -0.236 4.124 4.320 0.066 0.000 0.220 211 A C 1.764 179.463 177.584 0.191 0.000 1.160 211 A CA 1.594 53.714 52.037 0.137 0.000 0.653 211 A CB -0.736 18.289 19.000 0.042 0.000 0.801 211 A HN 0.812 nan 8.150 nan 0.000 0.455 212 H N 0.106 119.237 119.070 0.102 0.000 2.457 212 H HA -0.038 4.556 4.556 0.064 0.000 0.297 212 H C 1.545 176.954 175.328 0.136 0.000 1.092 212 H CA 1.970 58.072 56.048 0.090 0.000 1.309 212 H CB 0.057 29.848 29.762 0.048 0.000 1.382 212 H HN 0.416 nan 8.280 nan 0.000 0.535 213 K N -0.654 119.869 120.400 0.206 0.000 2.404 213 K HA -0.026 4.334 4.320 0.066 0.000 0.194 213 K C 1.337 178.082 176.600 0.241 0.000 1.023 213 K CA -0.036 56.374 56.287 0.205 0.000 1.094 213 K CB 0.099 32.779 32.500 0.300 0.000 0.841 213 K HN 0.289 nan 8.250 nan 0.000 0.523 214 F N 2.842 122.848 119.950 0.093 0.000 2.126 214 F HA -0.127 4.440 4.527 0.066 0.000 0.299 214 F C -1.028 174.784 175.800 0.020 0.000 1.096 214 F CA 1.235 59.316 58.000 0.136 0.000 1.255 214 F CB -0.353 38.711 39.000 0.107 0.000 0.997 214 F HN 0.012 nan 8.300 nan 0.000 0.479 215 P HA -0.129 nan 4.420 nan 0.000 0.220 215 P C 0.944 177.931 177.300 -0.523 0.000 1.148 215 P CA 1.634 64.499 63.100 -0.391 0.000 0.803 215 P CB -0.042 31.444 31.700 -0.356 0.000 0.782 216 D N -1.341 118.905 120.400 -0.257 0.000 2.097 216 D HA -0.145 4.534 4.640 0.066 0.000 0.197 216 D C 1.784 177.812 176.300 -0.453 0.000 0.984 216 D CA 1.017 54.910 54.000 -0.179 0.000 0.826 216 D CB -0.782 40.093 40.800 0.125 0.000 0.973 216 D HN 0.167 nan 8.370 nan 0.000 0.460 217 F N 1.969 121.518 119.950 -0.668 0.000 2.102 217 F HA -0.224 4.341 4.527 0.064 0.000 0.298 217 F C 2.265 177.677 175.800 -0.647 0.000 1.105 217 F CA 1.143 58.532 58.000 -1.017 0.000 1.239 217 F CB -0.212 38.417 39.000 -0.619 0.000 0.991 217 F HN -0.256 nan 8.300 nan 0.000 0.474 218 V N 0.399 119.899 119.914 -0.691 0.000 2.343 218 V HA -0.349 3.810 4.120 0.066 0.000 0.247 218 V C 2.264 178.129 176.094 -0.383 0.000 1.051 218 V CA 2.479 64.405 62.300 -0.625 0.000 1.036 218 V CB -1.119 30.354 31.823 -0.584 0.000 0.654 218 V HN 0.484 nan 8.190 nan 0.000 0.451 219 H N -0.215 118.622 119.070 -0.389 0.000 2.387 219 H HA -0.116 4.480 4.556 0.066 0.000 0.299 219 H C 2.318 177.493 175.328 -0.255 0.000 1.090 219 H CA 1.004 56.905 56.048 -0.245 0.000 1.332 219 H CB 0.021 29.694 29.762 -0.148 0.000 1.386 219 H HN 0.492 nan 8.280 nan 0.000 0.516 220 A N 0.474 123.114 122.820 -0.300 0.000 1.930 220 A HA -0.101 4.259 4.320 0.066 0.000 0.217 220 A C 2.499 179.925 177.584 -0.264 0.000 1.175 220 A CA 1.268 53.128 52.037 -0.295 0.000 0.627 220 A CB -0.681 18.013 19.000 -0.511 0.000 0.815 220 A HN 0.300 nan 8.150 nan 0.000 0.443 221 V N -0.126 119.492 119.914 -0.494 0.000 2.591 221 V HA -0.015 4.145 4.120 0.066 0.000 0.249 221 V C 0.871 176.934 176.094 -0.051 0.000 1.053 221 V CA 0.903 63.006 62.300 -0.329 0.000 1.068 221 V CB -0.492 30.938 31.823 -0.655 0.000 0.689 221 V HN 0.332 nan 8.190 nan 0.000 0.462 222 K N 0.984 121.318 120.400 -0.109 0.000 2.286 222 K HA 0.188 4.547 4.320 0.066 0.000 0.256 222 K C -2.275 174.282 176.600 -0.072 0.000 0.999 222 K CA -1.577 54.663 56.287 -0.080 0.000 0.908 222 K CB -0.337 32.108 32.500 -0.091 0.000 0.981 222 K HN 0.184 nan 8.250 nan 0.000 0.500 223 P HA -0.057 nan 4.420 nan 0.000 0.264 223 P C -0.513 176.729 177.300 -0.098 0.000 1.183 223 P CA 0.516 63.487 63.100 -0.215 0.000 0.763 223 P CB 0.329 31.913 31.700 -0.195 0.000 0.807 224 E N 5.525 125.711 120.200 -0.024 0.000 2.392 224 E HA -0.014 4.375 4.350 0.066 0.000 0.264 224 E C -1.268 175.397 176.600 0.109 0.000 1.024 224 E CA -1.243 55.246 56.400 0.148 0.000 0.903 224 E CB 0.154 30.068 29.700 0.357 0.000 0.963 224 E HN 0.434 nan 8.360 nan 0.000 0.432 225 P HA -0.175 nan 4.420 nan 0.000 0.225 225 P C 0.943 178.301 177.300 0.096 0.000 1.156 225 P CA 1.234 64.363 63.100 0.049 0.000 0.787 225 P CB 0.092 31.801 31.700 0.015 0.000 0.802 226 H N -0.731 118.375 119.070 0.060 0.000 2.333 226 H HA -0.067 4.529 4.556 0.066 0.000 0.302 226 H C 1.427 176.853 175.328 0.164 0.000 1.075 226 H CA 1.356 57.429 56.048 0.042 0.000 1.348 226 H CB -1.243 28.476 29.762 -0.072 0.000 1.393 226 H HN 0.283 nan 8.280 nan 0.000 0.509 227 W N 0.119 121.019 121.300 -0.666 0.000 2.870 227 W HA 0.697 5.396 4.660 0.065 0.000 0.358 227 W C 0.441 176.788 176.519 -0.287 0.000 1.043 227 W CA -1.201 55.897 57.345 -0.411 0.000 1.692 227 W CB -0.760 28.448 29.460 -0.420 0.000 1.100 227 W HN 0.425 nan 8.180 nan 0.000 0.557 228 A N 1.379 124.172 122.820 -0.046 0.000 2.610 228 A HA -0.142 4.218 4.320 0.066 0.000 0.299 228 A C -0.400 176.958 177.584 -0.378 0.000 1.487 228 A CA 1.471 53.410 52.037 -0.163 0.000 0.743 228 A CB -2.380 16.547 19.000 -0.120 0.000 1.070 228 A HN 0.479 nan 8.150 nan 0.000 0.439 229 I N 0.661 120.869 120.570 -0.604 0.000 2.769 229 I HA 0.539 4.749 4.170 0.066 0.000 0.298 229 I C -2.459 173.346 176.117 -0.521 0.000 1.128 229 I CA -2.401 58.438 61.300 -0.768 0.000 1.031 229 I CB 3.002 40.019 38.000 -1.638 0.000 1.235 229 I HN 0.224 nan 8.210 nan 0.000 0.423 230 P HA 0.299 nan 4.420 nan 0.000 0.292 230 P C -1.572 175.571 177.300 -0.262 0.000 1.300 230 P CA -0.791 62.090 63.100 -0.364 0.000 0.900 230 P CB 1.694 33.257 31.700 -0.227 0.000 1.139 231 Q N 0.861 120.550 119.800 -0.184 0.000 2.267 231 Q HA 0.491 4.870 4.340 0.066 0.000 0.255 231 Q C 1.057 177.024 176.000 -0.056 0.000 0.923 231 Q CA 0.945 56.678 55.803 -0.117 0.000 0.925 231 Q CB -0.187 28.492 28.738 -0.099 0.000 1.195 231 Q HN 0.824 nan 8.270 nan 0.000 0.417 232 G N 3.128 111.906 108.800 -0.038 0.000 2.176 232 G HA2 -0.276 3.724 3.960 0.066 0.000 0.252 232 G HA3 -0.276 3.724 3.960 0.066 0.000 0.252 232 G C -0.423 174.493 174.900 0.027 0.000 1.024 232 G CA 0.444 45.546 45.100 0.004 0.000 0.755 232 G HN 0.541 nan 8.290 nan 0.000 0.507 233 Q N -1.034 118.769 119.800 0.004 0.000 2.309 233 Q HA 0.538 4.918 4.340 0.066 0.000 0.273 233 Q C 0.645 176.650 176.000 0.008 0.000 1.040 233 Q CA -0.119 55.711 55.803 0.045 0.000 0.834 233 Q CB 1.790 30.597 28.738 0.114 0.000 1.345 233 Q HN 0.471 nan 8.270 nan 0.000 0.414 234 S N -0.616 114.983 115.700 -0.168 0.000 2.556 234 S HA 0.229 4.739 4.470 0.066 0.000 0.216 234 S C 0.833 175.318 174.600 -0.192 0.000 0.970 234 S CA -0.066 57.779 58.200 -0.591 0.000 0.912 234 S CB 0.374 62.675 63.200 -1.498 0.000 0.790 234 S HN 0.587 nan 8.310 nan 0.000 0.504 235 A N 2.343 125.274 122.820 0.185 0.000 3.063 235 A HA 0.540 4.900 4.320 0.066 0.000 0.263 235 A C 0.112 177.932 177.584 0.393 0.000 1.736 235 A CA -0.557 51.684 52.037 0.340 0.000 1.408 235 A CB -1.212 17.939 19.000 0.252 0.000 1.108 235 A HN 0.901 nan 8.150 nan 0.000 0.621 236 H N -3.610 115.655 119.070 0.325 0.000 3.003 236 H HA 0.470 5.065 4.556 0.065 0.000 0.327 236 H C -0.334 175.192 175.328 0.329 0.000 1.353 236 H CA -0.711 55.497 56.048 0.267 0.000 1.142 236 H CB 0.210 30.087 29.762 0.192 0.000 1.864 236 H HN 0.054 nan 8.280 nan 0.000 0.529 237 D N 0.163 120.752 120.400 0.315 0.000 2.104 237 D HA -0.182 4.498 4.640 0.066 0.000 0.194 237 D C 2.134 178.512 176.300 0.129 0.000 0.994 237 D CA 3.017 57.134 54.000 0.195 0.000 0.830 237 D CB -0.324 40.563 40.800 0.145 0.000 0.959 237 D HN 0.770 nan 8.370 nan 0.000 0.452 238 T N -1.520 113.111 114.554 0.129 0.000 2.788 238 T HA -0.205 4.184 4.350 0.066 0.000 0.268 238 T C 1.932 176.585 174.700 -0.078 0.000 1.044 238 T CA 0.731 62.868 62.100 0.061 0.000 1.139 238 T CB -0.747 68.204 68.868 0.138 0.000 0.867 238 T HN 0.168 nan 8.240 nan 0.000 0.454 239 F N 0.616 120.274 119.950 -0.488 0.000 2.102 239 F HA 0.099 4.665 4.527 0.065 0.000 0.298 239 F C 1.847 177.395 175.800 -0.419 0.000 1.105 239 F CA 0.683 58.318 58.000 -0.610 0.000 1.239 239 F CB -0.537 37.893 39.000 -0.951 0.000 0.991 239 F HN 0.149 nan 8.300 nan 0.000 0.474 240 W N 0.593 121.851 121.300 -0.071 0.000 2.467 240 W HA -0.070 4.631 4.660 0.068 0.000 0.275 240 W C 2.275 178.727 176.519 -0.112 0.000 1.239 240 W CA 0.972 58.262 57.345 -0.092 0.000 1.266 240 W CB -0.554 28.933 29.460 0.045 0.000 1.112 240 W HN 0.072 nan 8.180 nan 0.000 0.576 241 D N -0.581 119.875 120.400 0.093 0.000 2.084 241 D HA -0.298 4.381 4.640 0.066 0.000 0.194 241 D C 1.885 178.197 176.300 0.020 0.000 0.990 241 D CA 1.539 55.575 54.000 0.059 0.000 0.826 241 D CB -0.581 40.260 40.800 0.069 0.000 0.971 241 D HN 0.171 nan 8.370 nan 0.000 0.453 242 Y N 0.478 120.680 120.300 -0.164 0.000 2.081 242 Y HA -0.256 4.333 4.550 0.066 0.000 0.280 242 Y C 2.361 178.131 175.900 -0.217 0.000 1.163 242 Y CA 1.796 59.779 58.100 -0.194 0.000 1.135 242 Y CB -0.528 37.774 38.460 -0.263 0.000 0.970 242 Y HN -0.097 nan 8.280 nan 0.000 0.498 243 V N 0.070 119.877 119.914 -0.180 0.000 2.324 243 V HA -0.365 3.795 4.120 0.066 0.000 0.250 243 V C 2.574 178.625 176.094 -0.071 0.000 1.060 243 V CA 2.311 64.496 62.300 -0.192 0.000 1.042 243 V CB -1.210 30.394 31.823 -0.365 0.000 0.650 243 V HN 0.680 nan 8.190 nan 0.000 0.450 244 S N -0.319 115.381 115.700 0.001 0.000 2.423 244 S HA -0.060 4.449 4.470 0.066 0.000 0.231 244 S C 1.736 176.312 174.600 -0.040 0.000 1.014 244 S CA 1.330 59.550 58.200 0.033 0.000 0.965 244 S CB -0.458 62.788 63.200 0.076 0.000 0.785 244 S HN 0.556 nan 8.310 nan 0.000 0.495 245 L N 0.032 121.185 121.223 -0.116 0.000 2.567 245 L HA 0.295 4.674 4.340 0.066 0.000 0.225 245 L C 0.607 177.312 176.870 -0.274 0.000 1.119 245 L CA 0.220 54.959 54.840 -0.168 0.000 0.871 245 L CB -0.011 41.950 42.059 -0.163 0.000 1.036 245 L HN 0.268 nan 8.230 nan 0.000 0.459 246 Q N 0.148 119.744 119.800 -0.341 0.000 3.244 246 Q HA 0.217 4.596 4.340 0.066 0.000 0.249 246 Q C -1.915 173.870 176.000 -0.359 0.000 0.951 246 Q CA -1.399 54.154 55.803 -0.416 0.000 0.740 246 Q CB 1.414 29.791 28.738 -0.603 0.000 1.334 246 Q HN 0.006 nan 8.270 nan 0.000 0.448 247 P HA -0.251 nan 4.420 nan 0.000 0.220 247 P C 1.054 178.055 177.300 -0.498 0.000 1.144 247 P CA 1.235 64.102 63.100 -0.387 0.000 0.800 247 P CB 0.240 31.692 31.700 -0.413 0.000 0.772 248 E N 0.882 120.610 120.200 -0.788 0.000 2.233 248 E HA -0.222 4.167 4.350 0.066 0.000 0.199 248 E C 1.493 178.037 176.600 -0.093 0.000 1.004 248 E CA 2.060 58.264 56.400 -0.327 0.000 0.819 248 E CB -1.338 28.243 29.700 -0.200 0.000 0.738 248 E HN 0.312 nan 8.360 nan 0.000 0.478 249 T N -0.819 113.687 114.554 -0.079 0.000 3.072 249 T HA 0.001 4.391 4.350 0.066 0.000 0.266 249 T C 1.909 176.670 174.700 0.101 0.000 1.127 249 T CA 0.589 62.706 62.100 0.030 0.000 1.107 249 T CB -0.272 68.636 68.868 0.066 0.000 0.910 249 T HN 0.166 nan 8.240 nan 0.000 0.513 250 L N -0.081 121.208 121.223 0.111 0.000 2.141 250 L HA -0.019 4.360 4.340 0.066 0.000 0.209 250 L C 2.839 179.876 176.870 0.278 0.000 1.094 250 L CA 1.488 56.469 54.840 0.235 0.000 0.763 250 L CB -0.711 41.501 42.059 0.255 0.000 0.908 250 L HN 0.469 nan 8.230 nan 0.000 0.437 251 H N 0.063 119.177 119.070 0.073 0.000 2.293 251 H HA -0.208 4.387 4.556 0.066 0.000 0.300 251 H C 2.101 177.419 175.328 -0.016 0.000 1.082 251 H CA 1.833 57.917 56.048 0.060 0.000 1.308 251 H CB 0.244 30.011 29.762 0.008 0.000 1.375 251 H HN 0.368 nan 8.280 nan 0.000 0.495 252 N N -0.100 118.410 118.700 -0.317 0.000 2.331 252 N HA -0.117 4.662 4.740 0.066 0.000 0.180 252 N C 1.940 177.270 175.510 -0.299 0.000 1.019 252 N CA 0.656 53.293 53.050 -0.689 0.000 0.881 252 N CB 0.317 37.926 38.487 -1.463 0.000 0.972 252 N HN 0.120 nan 8.380 nan 0.000 0.435 253 V N 1.731 121.698 119.914 0.089 0.000 2.287 253 V HA -0.268 3.891 4.120 0.066 0.000 0.248 253 V C 2.534 178.753 176.094 0.208 0.000 1.053 253 V CA 1.283 63.774 62.300 0.319 0.000 1.027 253 V CB -0.397 31.676 31.823 0.416 0.000 0.646 253 V HN 0.394 nan 8.190 nan 0.000 0.447 254 M N -1.473 118.290 119.600 0.271 0.000 2.082 254 M HA -0.235 4.285 4.480 0.066 0.000 0.258 254 M C 2.086 178.387 176.300 0.002 0.000 1.069 254 M CA 2.001 57.460 55.300 0.265 0.000 1.102 254 M CB -1.309 31.474 32.600 0.304 0.000 1.336 254 M HN 0.475 nan 8.290 nan 0.000 0.404 255 W N 0.346 121.365 121.300 -0.469 0.000 2.358 255 W HA -0.096 4.605 4.660 0.068 0.000 0.303 255 W C 2.796 179.245 176.519 -0.117 0.000 1.208 255 W CA 1.881 58.930 57.345 -0.493 0.000 1.274 255 W CB -0.960 28.139 29.460 -0.602 0.000 1.138 255 W HN 0.306 nan 8.180 nan 0.000 0.515 256 A N -0.677 122.225 122.820 0.138 0.000 1.930 256 A HA -0.181 4.178 4.320 0.066 0.000 0.217 256 A C 1.937 179.567 177.584 0.076 0.000 1.175 256 A CA 1.679 53.796 52.037 0.134 0.000 0.627 256 A CB -0.609 18.501 19.000 0.183 0.000 0.815 256 A HN 0.091 nan 8.150 nan 0.000 0.443 257 M N 0.773 120.372 119.600 -0.002 0.000 2.394 257 M HA 0.005 4.524 4.480 0.066 0.000 0.264 257 M C 1.493 177.835 176.300 0.070 0.000 1.073 257 M CA 0.840 56.081 55.300 -0.099 0.000 1.111 257 M CB -1.464 30.817 32.600 -0.532 0.000 1.401 257 M HN 0.547 nan 8.290 nan 0.000 0.448 258 S N 0.347 116.152 115.700 0.175 0.000 2.634 258 S HA 0.069 4.578 4.470 0.066 0.000 0.261 258 S C 0.721 175.459 174.600 0.229 0.000 1.271 258 S CA -0.441 57.907 58.200 0.246 0.000 0.985 258 S CB 0.941 64.347 63.200 0.343 0.000 0.968 258 S HN 0.197 nan 8.310 nan 0.000 0.568 259 D N 0.278 120.831 120.400 0.255 0.000 2.392 259 D HA 0.007 4.686 4.640 0.066 0.000 0.228 259 D C 1.755 178.205 176.300 0.249 0.000 1.003 259 D CA 0.368 54.538 54.000 0.283 0.000 0.917 259 D CB -0.147 40.884 40.800 0.385 0.000 0.890 259 D HN 0.411 nan 8.370 nan 0.000 0.532 260 R N 0.067 120.711 120.500 0.240 0.000 2.189 260 R HA -0.025 4.355 4.340 0.066 0.000 0.223 260 R C 2.039 178.500 176.300 0.268 0.000 1.092 260 R CA 0.821 57.087 56.100 0.276 0.000 0.989 260 R CB -0.574 29.963 30.300 0.396 0.000 0.876 260 R HN 0.162 nan 8.270 nan 0.000 0.457 261 G N 1.408 110.352 108.800 0.239 0.000 2.598 261 G HA2 -0.037 3.962 3.960 0.066 0.000 0.215 261 G HA3 -0.037 3.962 3.960 0.066 0.000 0.215 261 G C 1.010 176.051 174.900 0.235 0.000 1.131 261 G CA 0.091 45.321 45.100 0.216 0.000 0.785 261 G HN 0.399 nan 8.290 nan 0.000 0.539 262 I N -1.892 118.828 120.570 0.250 0.000 2.871 262 I HA 0.364 4.573 4.170 0.066 0.000 0.284 262 I C -2.847 173.424 176.117 0.257 0.000 1.390 262 I CA -2.657 58.799 61.300 0.259 0.000 0.958 262 I CB 1.809 39.969 38.000 0.267 0.000 1.618 262 I HN -0.259 nan 8.210 nan 0.000 0.595 263 P HA 0.081 nan 4.420 nan 0.000 0.269 263 P C 0.489 177.924 177.300 0.226 0.000 1.215 263 P CA -0.189 63.014 63.100 0.171 0.000 0.780 263 P CB 1.298 33.032 31.700 0.056 0.000 0.898 264 R N 1.575 122.193 120.500 0.196 0.000 2.092 264 R HA 0.033 4.412 4.340 0.066 0.000 0.231 264 R C 0.450 176.901 176.300 0.253 0.000 1.119 264 R CA 1.394 57.660 56.100 0.277 0.000 0.970 264 R CB -0.448 29.982 30.300 0.216 0.000 0.864 264 R HN 0.553 nan 8.270 nan 0.000 0.440 265 S N -2.670 112.972 115.700 -0.097 0.000 2.552 265 S HA 0.220 4.730 4.470 0.066 0.000 0.272 265 S C -0.335 173.958 174.600 -0.512 0.000 1.150 265 S CA -0.852 57.135 58.200 -0.354 0.000 0.849 265 S CB 0.154 63.274 63.200 -0.134 0.000 1.113 265 S HN 0.115 nan 8.310 nan 0.000 0.458 266 Y N 2.466 122.401 120.300 -0.608 0.000 2.315 266 Y HA -0.024 4.566 4.550 0.067 0.000 0.288 266 Y C 2.333 177.876 175.900 -0.596 0.000 1.154 266 Y CA 1.358 58.971 58.100 -0.812 0.000 1.229 266 Y CB -0.383 37.216 38.460 -1.435 0.000 0.980 266 Y HN 0.585 nan 8.280 nan 0.000 0.540 267 R N -0.563 119.800 120.500 -0.227 0.000 2.237 267 R HA -0.047 4.333 4.340 0.066 0.000 0.219 267 R C 1.114 177.367 176.300 -0.079 0.000 1.080 267 R CA 1.555 57.572 56.100 -0.139 0.000 0.995 267 R CB -0.519 29.696 30.300 -0.142 0.000 0.875 267 R HN 0.355 nan 8.270 nan 0.000 0.462 268 T N -1.918 112.610 114.554 -0.044 0.000 3.355 268 T HA 0.344 4.734 4.350 0.066 0.000 0.276 268 T C 0.199 174.936 174.700 0.063 0.000 1.003 268 T CA -0.723 61.381 62.100 0.006 0.000 0.943 268 T CB -0.057 68.802 68.868 -0.016 0.000 1.158 268 T HN 0.092 nan 8.240 nan 0.000 0.513 269 M N -0.858 118.817 119.600 0.125 0.000 2.662 269 M HA 0.738 5.258 4.480 0.066 0.000 0.310 269 M C -0.928 175.551 176.300 0.300 0.000 1.204 269 M CA -0.887 54.533 55.300 0.200 0.000 0.891 269 M CB 1.982 34.700 32.600 0.196 0.000 1.732 269 M HN -0.142 nan 8.290 nan 0.000 0.467 270 E N 0.490 120.861 120.200 0.284 0.000 2.349 270 E HA 0.610 5.000 4.350 0.066 0.000 0.262 270 E C -0.232 176.432 176.600 0.107 0.000 1.088 270 E CA -0.502 55.995 56.400 0.162 0.000 0.899 270 E CB 1.498 31.201 29.700 0.006 0.000 1.044 270 E HN 0.860 nan 8.360 nan 0.000 0.420 271 G N 0.850 109.554 108.800 -0.161 0.000 2.481 271 G HA2 0.643 4.642 3.960 0.066 0.000 0.315 271 G HA3 0.643 4.642 3.960 0.066 0.000 0.315 271 G C -1.417 173.071 174.900 -0.686 0.000 1.231 271 G CA -0.474 44.498 45.100 -0.213 0.000 0.968 271 G HN 0.302 nan 8.290 nan 0.000 0.482 272 F N -0.696 119.194 119.950 -0.100 0.000 2.619 272 F HA 0.502 5.068 4.527 0.065 0.000 0.308 272 F C 1.031 176.743 175.800 -0.147 0.000 1.097 272 F CA -0.581 57.285 58.000 -0.224 0.000 0.953 272 F CB 2.537 41.350 39.000 -0.311 0.000 1.287 272 F HN 0.603 nan 8.300 nan 0.000 0.446 273 G N -0.550 108.315 108.800 0.109 0.000 2.813 273 G HA2 0.178 4.177 3.960 0.066 0.000 0.209 273 G HA3 0.178 4.177 3.960 0.066 0.000 0.209 273 G C 0.721 175.696 174.900 0.124 0.000 1.150 273 G CA 0.685 45.905 45.100 0.201 0.000 0.785 273 G HN 0.993 nan 8.290 nan 0.000 0.535 274 C N -1.301 117.965 119.300 -0.056 0.000 5.885 274 C HA -0.161 4.338 4.460 0.066 0.000 0.327 274 C C 0.831 175.527 174.990 -0.489 0.000 2.426 274 C CA 0.780 59.591 59.018 -0.345 0.000 2.190 274 C CB -1.942 25.476 27.740 -0.537 0.000 3.229 274 C HN 0.611 nan 8.230 nan 0.000 0.266 275 H N 0.058 119.162 119.070 0.057 0.000 2.651 275 H HA 0.483 5.079 4.556 0.067 0.000 0.353 275 H C -0.150 175.140 175.328 -0.064 0.000 1.178 275 H CA 0.076 56.069 56.048 -0.091 0.000 1.224 275 H CB 0.676 30.238 29.762 -0.333 0.000 1.702 275 H HN 0.289 nan 8.280 nan 0.000 0.550 276 T N 2.809 117.359 114.554 -0.008 0.000 2.752 276 T HA 0.217 4.606 4.350 0.066 0.000 0.295 276 T C 0.139 174.795 174.700 -0.073 0.000 0.923 276 T CA 0.123 62.203 62.100 -0.033 0.000 1.112 276 T CB -0.452 68.353 68.868 -0.105 0.000 0.884 276 T HN 0.201 nan 8.240 nan 0.000 0.525 277 F N 1.416 121.331 119.950 -0.059 0.000 2.544 277 F HA 0.648 5.213 4.527 0.064 0.000 0.378 277 F C 1.118 176.874 175.800 -0.073 0.000 1.112 277 F CA -1.316 56.674 58.000 -0.015 0.000 1.115 277 F CB 1.263 40.246 39.000 -0.028 0.000 1.436 277 F HN 0.187 nan 8.300 nan 0.000 0.496 278 R N 0.493 121.047 120.500 0.091 0.000 2.740 278 R HA 0.630 5.009 4.340 0.066 0.000 0.282 278 R C -1.590 174.599 176.300 -0.185 0.000 0.969 278 R CA -0.850 55.167 56.100 -0.138 0.000 0.918 278 R CB 1.855 32.005 30.300 -0.250 0.000 1.175 278 R HN 0.427 nan 8.270 nan 0.000 0.464 279 L N 3.706 124.769 121.223 -0.266 0.000 2.309 279 L HA 0.532 4.912 4.340 0.066 0.000 0.282 279 L C -0.450 176.265 176.870 -0.258 0.000 1.036 279 L CA -0.899 53.795 54.840 -0.243 0.000 0.806 279 L CB 1.272 43.191 42.059 -0.232 0.000 1.220 279 L HN 0.362 nan 8.230 nan 0.000 0.429 280 I N 2.692 123.136 120.570 -0.211 0.000 2.418 280 I HA 0.279 4.489 4.170 0.066 0.000 0.287 280 I C -0.261 175.774 176.117 -0.138 0.000 1.008 280 I CA -0.714 60.467 61.300 -0.199 0.000 1.104 280 I CB 1.395 39.287 38.000 -0.180 0.000 1.264 280 I HN 0.629 nan 8.210 nan 0.000 0.438 281 N N 4.846 123.477 118.700 -0.116 0.000 2.448 281 N HA 0.366 5.146 4.740 0.066 0.000 0.274 281 N C 0.855 176.328 175.510 -0.063 0.000 1.239 281 N CA -0.281 52.721 53.050 -0.080 0.000 0.982 281 N CB 0.714 39.162 38.487 -0.066 0.000 1.199 281 N HN 0.544 nan 8.380 nan 0.000 0.576 282 A N -0.331 122.460 122.820 -0.048 0.000 1.978 282 A HA -0.146 4.213 4.320 0.066 0.000 0.220 282 A C 1.532 179.097 177.584 -0.032 0.000 1.170 282 A CA 1.216 53.230 52.037 -0.038 0.000 0.636 282 A CB -0.638 18.345 19.000 -0.027 0.000 0.810 282 A HN 0.704 nan 8.150 nan 0.000 0.448 283 E N -1.203 118.979 120.200 -0.029 0.000 2.478 283 E HA 0.108 4.498 4.350 0.066 0.000 0.198 283 E C 1.392 177.984 176.600 -0.014 0.000 1.046 283 E CA 0.737 57.125 56.400 -0.020 0.000 0.870 283 E CB -0.438 29.251 29.700 -0.018 0.000 0.818 283 E HN 0.847 nan 8.360 nan 0.000 0.527 284 G N 1.677 110.465 108.800 -0.019 0.000 2.176 284 G HA2 -0.332 3.668 3.960 0.066 0.000 0.253 284 G HA3 -0.332 3.668 3.960 0.066 0.000 0.253 284 G C 0.385 175.303 174.900 0.029 0.000 0.979 284 G CA 0.389 45.496 45.100 0.011 0.000 0.641 284 G HN 0.292 nan 8.290 nan 0.000 0.530 285 K N 0.955 121.336 120.400 -0.032 0.000 2.368 285 K HA 0.599 4.958 4.320 0.066 0.000 0.282 285 K C 0.639 177.107 176.600 -0.220 0.000 1.035 285 K CA 0.308 56.549 56.287 -0.077 0.000 0.973 285 K CB 0.417 32.871 32.500 -0.076 0.000 0.957 285 K HN 0.560 nan 8.250 nan 0.000 0.474 286 A N 3.471 126.044 122.820 -0.413 0.000 2.290 286 A HA 0.394 4.754 4.320 0.066 0.000 0.310 286 A C -0.706 176.562 177.584 -0.528 0.000 1.202 286 A CA -0.478 51.150 52.037 -0.682 0.000 0.837 286 A CB 1.080 19.208 19.000 -1.452 0.000 1.139 286 A HN 0.704 nan 8.150 nan 0.000 0.509 287 T N 2.447 116.730 114.554 -0.451 0.000 2.841 287 T HA 0.541 4.931 4.350 0.066 0.000 0.283 287 T C -0.553 173.924 174.700 -0.373 0.000 1.000 287 T CA -0.080 61.812 62.100 -0.346 0.000 0.977 287 T CB 0.466 69.225 68.868 -0.183 0.000 0.979 287 T HN 0.344 nan 8.240 nan 0.000 0.446 288 F N 1.974 121.835 119.950 -0.149 0.000 2.459 288 F HA 0.521 5.086 4.527 0.065 0.000 0.346 288 F C 0.589 176.276 175.800 -0.188 0.000 1.128 288 F CA -0.344 57.565 58.000 -0.153 0.000 1.268 288 F CB 0.650 39.585 39.000 -0.109 0.000 1.161 288 F HN 0.191 nan 8.300 nan 0.000 0.583 289 V N 4.368 124.245 119.914 -0.062 0.000 2.888 289 V HA 0.603 4.763 4.120 0.066 0.000 0.309 289 V C -1.036 174.835 176.094 -0.372 0.000 1.114 289 V CA -0.759 61.354 62.300 -0.311 0.000 0.940 289 V CB 2.145 33.546 31.823 -0.702 0.000 1.021 289 V HN 0.774 nan 8.190 nan 0.000 0.426 290 R N 4.514 124.838 120.500 -0.293 0.000 2.599 290 R HA 0.578 4.958 4.340 0.066 0.000 0.295 290 R C -1.668 174.540 176.300 -0.153 0.000 0.963 290 R CA -0.466 55.498 56.100 -0.226 0.000 0.883 290 R CB 2.121 32.424 30.300 0.005 0.000 1.171 290 R HN 0.597 nan 8.270 nan 0.000 0.450 291 F N 1.912 121.911 119.950 0.081 0.000 2.399 291 F HA 0.398 4.964 4.527 0.065 0.000 0.334 291 F C 0.915 176.673 175.800 -0.071 0.000 1.097 291 F CA -0.171 57.850 58.000 0.036 0.000 1.076 291 F CB 0.953 39.859 39.000 -0.157 0.000 1.162 291 F HN 0.197 nan 8.300 nan 0.000 0.495 292 H N 0.673 119.745 119.070 0.004 0.000 2.851 292 H HA 0.246 4.842 4.556 0.066 0.000 0.372 292 H C -1.620 173.486 175.328 -0.370 0.000 1.158 292 H CA -1.011 54.930 56.048 -0.178 0.000 1.159 292 H CB 2.037 31.787 29.762 -0.020 0.000 1.757 292 H HN 0.677 nan 8.280 nan 0.000 0.546 293 W N 2.373 123.566 121.300 -0.179 0.000 2.600 293 W HA 0.307 5.005 4.660 0.064 0.000 0.325 293 W C -0.127 176.427 176.519 0.059 0.000 1.034 293 W CA -0.762 56.536 57.345 -0.078 0.000 1.226 293 W CB 1.763 31.006 29.460 -0.361 0.000 1.379 293 W HN 0.279 nan 8.180 nan 0.000 0.466 294 K N 5.911 126.588 120.400 0.461 0.000 2.240 294 K HA 0.362 4.722 4.320 0.066 0.000 0.271 294 K C -2.383 174.448 176.600 0.385 0.000 1.018 294 K CA -1.835 54.659 56.287 0.346 0.000 0.874 294 K CB 1.348 34.000 32.500 0.253 0.000 1.098 294 K HN 0.050 nan 8.250 nan 0.000 0.458 295 P HA 0.055 nan 4.420 nan 0.000 0.281 295 P C 0.499 177.808 177.300 0.015 0.000 1.286 295 P CA -0.129 63.041 63.100 0.116 0.000 0.772 295 P CB 0.766 32.546 31.700 0.133 0.000 0.862 296 L N 2.885 124.066 121.223 -0.069 0.000 2.353 296 L HA -0.130 4.249 4.340 0.066 0.000 0.220 296 L C 2.226 179.075 176.870 -0.034 0.000 1.133 296 L CA 1.358 56.186 54.840 -0.020 0.000 0.798 296 L CB -0.731 41.327 42.059 -0.002 0.000 0.922 296 L HN 0.338 nan 8.230 nan 0.000 0.445 297 A N 0.022 122.792 122.820 -0.083 0.000 2.238 297 A HA 0.396 4.756 4.320 0.066 0.000 0.208 297 A C 1.264 178.844 177.584 -0.006 0.000 1.177 297 A CA 0.702 52.710 52.037 -0.049 0.000 0.804 297 A CB -0.480 18.472 19.000 -0.079 0.000 0.823 297 A HN 0.479 nan 8.150 nan 0.000 0.482 298 G N -0.742 108.068 108.800 0.017 0.000 2.712 298 G HA2 -0.121 3.879 3.960 0.066 0.000 0.683 298 G HA3 -0.121 3.879 3.960 0.066 0.000 0.683 298 G C -0.660 174.270 174.900 0.050 0.000 1.320 298 G CA -0.481 44.649 45.100 0.050 0.000 0.847 298 G HN 0.425 nan 8.290 nan 0.000 0.553 299 K N 0.253 120.690 120.400 0.061 0.000 2.211 299 K HA 0.699 5.058 4.320 0.066 0.000 0.275 299 K C 0.185 176.784 176.600 -0.001 0.000 1.024 299 K CA 0.226 56.535 56.287 0.036 0.000 0.887 299 K CB 1.685 34.194 32.500 0.015 0.000 1.084 299 K HN 1.370 nan 8.250 nan 0.000 0.463 300 A N 1.917 124.721 122.820 -0.026 0.000 2.547 300 A HA 0.613 4.973 4.320 0.066 0.000 0.297 300 A C -1.085 176.535 177.584 0.059 0.000 1.056 300 A CA -0.658 51.312 52.037 -0.113 0.000 0.688 300 A CB 1.750 20.458 19.000 -0.487 0.000 1.282 300 A HN 0.523 nan 8.150 nan 0.000 0.400 301 S N 0.476 116.363 115.700 0.311 0.000 2.632 301 S HA 0.746 5.255 4.470 0.066 0.000 0.289 301 S C -0.086 174.828 174.600 0.522 0.000 1.115 301 S CA -0.627 57.799 58.200 0.377 0.000 0.889 301 S CB 1.152 64.568 63.200 0.360 0.000 1.116 301 S HN 0.649 nan 8.310 nan 0.000 0.486 302 L N 1.400 122.828 121.223 0.342 0.000 2.482 302 L HA 0.495 4.874 4.340 0.066 0.000 0.242 302 L C 0.126 177.128 176.870 0.219 0.000 1.210 302 L CA -0.710 54.255 54.840 0.208 0.000 0.819 302 L CB 0.126 42.221 42.059 0.061 0.000 1.203 302 L HN 0.491 nan 8.230 nan 0.000 0.495 303 V N -2.846 117.095 119.914 0.044 0.000 2.732 303 V HA 0.184 4.343 4.120 0.066 0.000 0.310 303 V C 0.679 176.724 176.094 -0.082 0.000 1.053 303 V CA -0.775 61.524 62.300 -0.001 0.000 0.957 303 V CB 1.662 33.457 31.823 -0.047 0.000 1.018 303 V HN 0.958 nan 8.190 nan 0.000 0.452 304 W N 2.024 123.198 121.300 -0.210 0.000 2.335 304 W HA -0.212 4.487 4.660 0.066 0.000 0.311 304 W C 1.779 178.142 176.519 -0.260 0.000 1.213 304 W CA 2.461 59.672 57.345 -0.223 0.000 1.274 304 W CB -0.103 29.206 29.460 -0.252 0.000 1.148 304 W HN 0.997 nan 8.180 nan 0.000 0.498 305 D N 0.293 120.402 120.400 -0.484 0.000 2.123 305 D HA -0.299 4.380 4.640 0.066 0.000 0.196 305 D C 2.143 178.092 176.300 -0.584 0.000 0.992 305 D CA 2.189 55.873 54.000 -0.528 0.000 0.833 305 D CB -0.481 40.256 40.800 -0.106 0.000 0.954 305 D HN 0.388 nan 8.370 nan 0.000 0.455 306 E N -0.301 119.424 120.200 -0.792 0.000 2.031 306 E HA -0.210 4.180 4.350 0.066 0.000 0.193 306 E C 2.076 178.335 176.600 -0.567 0.000 0.994 306 E CA 1.085 56.952 56.400 -0.888 0.000 0.800 306 E CB -0.276 28.762 29.700 -1.104 0.000 0.752 306 E HN 0.291 nan 8.360 nan 0.000 0.447 307 A N 1.288 123.807 122.820 -0.501 0.000 1.892 307 A HA -0.297 4.062 4.320 0.066 0.000 0.218 307 A C 2.210 179.478 177.584 -0.528 0.000 1.188 307 A CA 2.040 53.835 52.037 -0.403 0.000 0.631 307 A CB -0.827 18.063 19.000 -0.184 0.000 0.822 307 A HN 0.492 nan 8.150 nan 0.000 0.447 308 Q N -0.644 118.626 119.800 -0.883 0.000 2.046 308 Q HA -0.188 4.192 4.340 0.066 0.000 0.200 308 Q C 2.201 177.921 176.000 -0.465 0.000 0.975 308 Q CA 1.833 57.129 55.803 -0.846 0.000 0.836 308 Q CB -0.162 27.758 28.738 -1.364 0.000 0.896 308 Q HN 0.674 nan 8.270 nan 0.000 0.428 309 K N 0.001 120.150 120.400 -0.419 0.000 2.211 309 K HA -0.147 4.213 4.320 0.066 0.000 0.203 309 K C 2.009 178.470 176.600 -0.232 0.000 1.050 309 K CA 0.648 56.783 56.287 -0.253 0.000 0.945 309 K CB 0.006 32.402 32.500 -0.173 0.000 0.732 309 K HN 0.177 nan 8.250 nan 0.000 0.451 310 L N 1.232 122.276 121.223 -0.298 0.000 2.217 310 L HA -0.103 4.276 4.340 0.066 0.000 0.211 310 L C 2.216 178.956 176.870 -0.216 0.000 1.107 310 L CA 2.055 56.719 54.840 -0.293 0.000 0.783 310 L CB -0.870 40.929 42.059 -0.435 0.000 0.919 310 L HN 0.311 nan 8.230 nan 0.000 0.442 311 T N -4.054 110.377 114.554 -0.206 0.000 2.803 311 T HA -0.102 4.288 4.350 0.066 0.000 0.269 311 T C 1.864 176.506 174.700 -0.096 0.000 1.052 311 T CA 1.132 63.154 62.100 -0.130 0.000 1.136 311 T CB -1.005 67.798 68.868 -0.109 0.000 0.864 311 T HN 0.370 nan 8.240 nan 0.000 0.467 312 G N 1.107 109.843 108.800 -0.107 0.000 2.408 312 G HA2 -0.005 3.994 3.960 0.066 0.000 0.213 312 G HA3 -0.005 3.994 3.960 0.066 0.000 0.213 312 G C 1.903 176.761 174.900 -0.069 0.000 1.177 312 G CA -0.205 44.847 45.100 -0.079 0.000 0.802 312 G HN 0.313 nan 8.290 nan 0.000 0.533 313 R N 0.288 120.737 120.500 -0.086 0.000 2.115 313 R HA 0.053 4.433 4.340 0.066 0.000 0.226 313 R C -0.147 176.129 176.300 -0.040 0.000 1.100 313 R CA 0.722 56.784 56.100 -0.062 0.000 0.980 313 R CB -0.241 30.014 30.300 -0.075 0.000 0.875 313 R HN 0.337 nan 8.270 nan 0.000 0.445 314 D N -0.386 119.987 120.400 -0.046 0.000 2.381 314 D HA 0.155 4.835 4.640 0.066 0.000 0.245 314 D C -2.128 174.177 176.300 0.009 0.000 1.297 314 D CA -1.851 52.156 54.000 0.011 0.000 0.931 314 D CB 1.383 42.241 40.800 0.096 0.000 1.334 314 D HN -0.143 nan 8.370 nan 0.000 0.535 315 P HA 0.018 nan 4.420 nan 0.000 0.234 315 P C 0.039 177.346 177.300 0.012 0.000 1.167 315 P CA 0.606 63.697 63.100 -0.015 0.000 0.763 315 P CB 0.514 32.202 31.700 -0.019 0.000 0.835 316 D N -1.623 118.796 120.400 0.030 0.000 2.424 316 D HA 0.079 4.759 4.640 0.066 0.000 0.220 316 D C 1.202 177.533 176.300 0.053 0.000 1.150 316 D CA -0.435 53.586 54.000 0.034 0.000 0.831 316 D CB -0.493 40.305 40.800 -0.003 0.000 0.981 316 D HN 0.107 nan 8.370 nan 0.000 0.500 317 F N 1.238 121.129 119.950 -0.098 0.000 2.126 317 F HA -0.224 4.342 4.527 0.066 0.000 0.299 317 F C 2.044 177.812 175.800 -0.054 0.000 1.096 317 F CA 1.875 59.810 58.000 -0.107 0.000 1.255 317 F CB 0.087 38.968 39.000 -0.199 0.000 0.997 317 F HN 0.097 nan 8.300 nan 0.000 0.479 318 H N -1.299 117.693 119.070 -0.130 0.000 2.403 318 H HA -0.047 4.548 4.556 0.066 0.000 0.298 318 H C 2.364 177.601 175.328 -0.152 0.000 1.059 318 H CA 0.822 56.657 56.048 -0.355 0.000 1.363 318 H CB -0.082 29.296 29.762 -0.640 0.000 1.410 318 H HN 0.157 nan 8.280 nan 0.000 0.528 319 R N 1.280 121.881 120.500 0.169 0.000 2.073 319 R HA -0.141 4.238 4.340 0.066 0.000 0.234 319 R C 2.436 178.841 176.300 0.175 0.000 1.134 319 R CA 1.412 57.663 56.100 0.250 0.000 0.952 319 R CB -0.029 30.398 30.300 0.212 0.000 0.850 319 R HN 0.194 nan 8.270 nan 0.000 0.433 320 R N 0.377 120.897 120.500 0.034 0.000 2.070 320 R HA -0.152 4.228 4.340 0.066 0.000 0.233 320 R C 2.184 178.478 176.300 -0.009 0.000 1.137 320 R CA 1.790 57.890 56.100 0.001 0.000 0.945 320 R CB -0.289 29.971 30.300 -0.067 0.000 0.845 320 R HN 0.275 nan 8.270 nan 0.000 0.430 321 E N 0.603 120.679 120.200 -0.206 0.000 2.110 321 E HA -0.205 4.185 4.350 0.066 0.000 0.193 321 E C 2.010 178.579 176.600 -0.052 0.000 0.988 321 E CA 1.119 57.374 56.400 -0.240 0.000 0.804 321 E CB -0.039 29.351 29.700 -0.517 0.000 0.745 321 E HN 0.275 nan 8.360 nan 0.000 0.458 322 L N 0.681 121.922 121.223 0.030 0.000 2.027 322 L HA -0.139 4.240 4.340 0.066 0.000 0.206 322 L C 2.227 179.199 176.870 0.170 0.000 1.074 322 L CA 1.791 56.694 54.840 0.104 0.000 0.745 322 L CB -0.907 41.276 42.059 0.207 0.000 0.898 322 L HN 0.296 nan 8.230 nan 0.000 0.433 323 W N 1.023 122.357 121.300 0.056 0.000 2.335 323 W HA -0.214 4.485 4.660 0.065 0.000 0.311 323 W C 2.172 178.720 176.519 0.048 0.000 1.213 323 W CA 2.199 59.591 57.345 0.077 0.000 1.274 323 W CB -0.134 29.374 29.460 0.080 0.000 1.148 323 W HN 0.365 nan 8.180 nan 0.000 0.498 324 E N -0.059 120.320 120.200 0.298 0.000 2.150 324 E HA -0.125 4.265 4.350 0.066 0.000 0.193 324 E C 2.338 178.967 176.600 0.048 0.000 0.985 324 E CA 1.048 57.539 56.400 0.151 0.000 0.814 324 E CB -0.319 29.422 29.700 0.068 0.000 0.752 324 E HN 0.191 nan 8.360 nan 0.000 0.466 325 A N 1.116 123.963 122.820 0.045 0.000 1.930 325 A HA -0.132 4.228 4.320 0.066 0.000 0.217 325 A C 2.133 179.736 177.584 0.031 0.000 1.175 325 A CA 0.888 52.941 52.037 0.027 0.000 0.627 325 A CB -0.405 18.610 19.000 0.026 0.000 0.815 325 A HN 0.119 nan 8.150 nan 0.000 0.443 326 I N -0.456 120.152 120.570 0.064 0.000 2.252 326 I HA -0.212 3.998 4.170 0.066 0.000 0.245 326 I C 2.403 178.586 176.117 0.110 0.000 1.102 326 I CA 1.237 62.623 61.300 0.144 0.000 1.385 326 I CB -0.397 37.626 38.000 0.037 0.000 1.064 326 I HN 0.402 nan 8.210 nan 0.000 0.414 327 E N 0.921 121.138 120.200 0.028 0.000 2.160 327 E HA -0.216 4.173 4.350 0.066 0.000 0.195 327 E C 2.106 178.718 176.600 0.021 0.000 0.991 327 E CA 1.324 57.754 56.400 0.050 0.000 0.810 327 E CB -0.115 29.648 29.700 0.105 0.000 0.742 327 E HN 0.511 nan 8.360 nan 0.000 0.466 328 A N 0.028 122.832 122.820 -0.027 0.000 2.208 328 A HA 0.223 4.582 4.320 0.066 0.000 0.209 328 A C 1.793 179.298 177.584 -0.131 0.000 1.161 328 A CA 0.909 52.908 52.037 -0.064 0.000 0.782 328 A CB -0.131 18.812 19.000 -0.095 0.000 0.816 328 A HN 0.334 nan 8.150 nan 0.000 0.477 329 G N -0.268 108.361 108.800 -0.285 0.000 2.162 329 G HA2 -0.226 3.774 3.960 0.066 0.000 0.260 329 G HA3 -0.226 3.774 3.960 0.066 0.000 0.260 329 G C -0.137 174.235 174.900 -0.880 0.000 0.976 329 G CA 0.307 44.890 45.100 -0.863 0.000 0.655 329 G HN 0.476 nan 8.290 nan 0.000 0.533 330 D N 0.947 121.120 120.400 -0.379 0.000 2.934 330 D HA 0.255 4.935 4.640 0.066 0.000 0.237 330 D C 0.884 177.110 176.300 -0.124 0.000 1.158 330 D CA -0.137 53.740 54.000 -0.205 0.000 0.971 330 D CB -0.749 40.034 40.800 -0.028 0.000 1.123 330 D HN 0.443 nan 8.370 nan 0.000 0.467 331 F N 1.200 121.155 119.950 0.008 0.000 2.623 331 F HA 0.039 4.606 4.527 0.066 0.000 0.383 331 F C -1.381 174.393 175.800 -0.043 0.000 1.077 331 F CA -1.637 56.359 58.000 -0.007 0.000 1.268 331 F CB -0.113 38.893 39.000 0.009 0.000 1.053 331 F HN -0.089 nan 8.300 nan 0.000 0.571 332 P HA 0.062 nan 4.420 nan 0.000 0.267 332 P C -1.056 176.195 177.300 -0.082 0.000 1.209 332 P CA 0.267 63.358 63.100 -0.016 0.000 0.763 332 P CB 0.527 32.302 31.700 0.125 0.000 0.816 333 E N 2.454 122.466 120.200 -0.313 0.000 2.238 333 E HA 0.452 4.842 4.350 0.066 0.000 0.267 333 E C -1.066 175.245 176.600 -0.481 0.000 0.887 333 E CA -0.582 55.693 56.400 -0.207 0.000 0.769 333 E CB 1.482 31.150 29.700 -0.054 0.000 1.187 333 E HN 0.379 nan 8.360 nan 0.000 0.416 334 Y N 0.364 120.744 120.300 0.133 0.000 2.457 334 Y HA 0.222 4.812 4.550 0.067 0.000 0.343 334 Y C -0.208 175.935 175.900 0.406 0.000 0.994 334 Y CA -0.953 57.304 58.100 0.262 0.000 1.031 334 Y CB 1.960 40.542 38.460 0.204 0.000 1.246 334 Y HN 0.466 nan 8.280 nan 0.000 0.449 335 E N 3.005 123.539 120.200 0.556 0.000 2.174 335 E HA 0.371 4.760 4.350 0.066 0.000 0.282 335 E C -1.400 175.486 176.600 0.476 0.000 0.992 335 E CA -0.902 55.781 56.400 0.472 0.000 0.803 335 E CB 0.970 30.881 29.700 0.353 0.000 1.090 335 E HN 0.592 nan 8.360 nan 0.000 0.396 336 L N 4.286 125.701 121.223 0.321 0.000 2.380 336 L HA 0.508 4.888 4.340 0.066 0.000 0.273 336 L C -0.058 176.755 176.870 -0.096 0.000 1.138 336 L CA 0.610 55.353 54.840 -0.161 0.000 0.832 336 L CB 1.109 43.033 42.059 -0.225 0.000 1.124 336 L HN 0.591 nan 8.230 nan 0.000 0.454 337 G N 4.322 113.078 108.800 -0.074 0.000 2.667 337 G HA2 0.555 4.554 3.960 0.066 0.000 0.298 337 G HA3 0.555 4.554 3.960 0.066 0.000 0.298 337 G C -1.666 173.370 174.900 0.228 0.000 1.377 337 G CA -0.491 44.605 45.100 -0.006 0.000 0.964 337 G HN 0.457 nan 8.290 nan 0.000 0.493 338 F N 0.332 120.296 119.950 0.024 0.000 2.507 338 F HA 0.374 4.941 4.527 0.067 0.000 0.325 338 F C 0.372 176.161 175.800 -0.018 0.000 1.116 338 F CA -0.994 57.022 58.000 0.028 0.000 0.930 338 F CB 2.608 41.612 39.000 0.007 0.000 1.146 338 F HN 0.161 nan 8.300 nan 0.000 0.447 339 Q N 4.281 124.190 119.800 0.182 0.000 2.279 339 Q HA 0.474 4.854 4.340 0.066 0.000 0.256 339 Q C -1.042 175.002 176.000 0.073 0.000 0.937 339 Q CA -0.332 55.528 55.803 0.095 0.000 0.933 339 Q CB 1.923 30.723 28.738 0.103 0.000 1.189 339 Q HN 0.522 nan 8.270 nan 0.000 0.417 340 L N 4.383 125.657 121.223 0.086 0.000 2.341 340 L HA 0.592 4.972 4.340 0.066 0.000 0.278 340 L C -0.612 176.315 176.870 0.095 0.000 1.005 340 L CA -0.575 54.305 54.840 0.067 0.000 0.818 340 L CB 1.365 43.472 42.059 0.080 0.000 1.259 340 L HN 0.513 nan 8.230 nan 0.000 0.418 341 I N 4.171 124.813 120.570 0.121 0.000 2.447 341 I HA 0.375 4.584 4.170 0.066 0.000 0.287 341 I C -2.327 173.906 176.117 0.193 0.000 1.023 341 I CA -2.059 59.355 61.300 0.190 0.000 1.083 341 I CB 2.420 40.562 38.000 0.237 0.000 1.245 341 I HN 0.268 nan 8.210 nan 0.000 0.434 342 P HA 0.034 nan 4.420 nan 0.000 0.270 342 P C 0.603 177.982 177.300 0.131 0.000 1.223 342 P CA -0.100 63.042 63.100 0.070 0.000 0.785 342 P CB 0.838 32.570 31.700 0.054 0.000 0.923 343 E N 2.003 122.202 120.200 -0.001 0.000 2.110 343 E HA -0.247 4.142 4.350 0.066 0.000 0.193 343 E C 1.411 178.123 176.600 0.185 0.000 0.988 343 E CA 1.056 57.473 56.400 0.029 0.000 0.804 343 E CB -0.055 29.566 29.700 -0.132 0.000 0.745 343 E HN 0.483 nan 8.360 nan 0.000 0.458 344 E N 0.271 120.540 120.200 0.115 0.000 2.409 344 E HA -0.187 4.203 4.350 0.066 0.000 0.198 344 E C 0.321 176.991 176.600 0.116 0.000 1.024 344 E CA 0.932 57.402 56.400 0.117 0.000 0.861 344 E CB 0.017 29.759 29.700 0.071 0.000 0.788 344 E HN 0.245 nan 8.360 nan 0.000 0.521 345 D N 1.089 121.560 120.400 0.118 0.000 2.368 345 D HA 0.011 4.690 4.640 0.066 0.000 0.218 345 D C 1.291 177.614 176.300 0.039 0.000 1.112 345 D CA -0.002 54.030 54.000 0.053 0.000 0.834 345 D CB 0.217 41.045 40.800 0.047 0.000 0.953 345 D HN 0.410 nan 8.370 nan 0.000 0.505 346 E N -0.184 120.035 120.200 0.032 0.000 2.147 346 E HA -0.204 4.186 4.350 0.066 0.000 0.199 346 E C 0.473 176.789 176.600 -0.473 0.000 1.005 346 E CA 1.156 57.370 56.400 -0.309 0.000 0.810 346 E CB 0.017 29.445 29.700 -0.453 0.000 0.736 346 E HN 0.255 nan 8.360 nan 0.000 0.460 347 F N -0.464 119.470 119.950 -0.027 0.000 2.647 347 F HA 0.282 4.848 4.527 0.066 0.000 0.300 347 F C 1.340 177.056 175.800 -0.140 0.000 1.106 347 F CA -0.283 57.681 58.000 -0.060 0.000 1.313 347 F CB 0.645 39.625 39.000 -0.035 0.000 1.007 347 F HN -0.175 nan 8.300 nan 0.000 0.536 348 K N -0.020 120.288 120.400 -0.155 0.000 2.444 348 K HA 0.129 4.488 4.320 0.066 0.000 0.193 348 K C -0.238 175.940 176.600 -0.704 0.000 1.024 348 K CA 0.354 56.393 56.287 -0.414 0.000 1.077 348 K CB 0.225 32.437 32.500 -0.481 0.000 0.833 348 K HN 0.138 nan 8.250 nan 0.000 0.517 349 F N 0.487 120.265 119.950 -0.285 0.000 2.509 349 F HA 0.098 4.665 4.527 0.066 0.000 0.334 349 F C 1.166 176.737 175.800 -0.381 0.000 1.060 349 F CA -1.252 56.471 58.000 -0.462 0.000 0.997 349 F CB 0.666 39.001 39.000 -1.109 0.000 1.271 349 F HN -0.047 nan 8.300 nan 0.000 0.488 350 D N -0.593 119.778 120.400 -0.048 0.000 2.328 350 D HA 0.058 4.737 4.640 0.066 0.000 0.221 350 D C -0.412 175.966 176.300 0.129 0.000 1.072 350 D CA 0.137 54.174 54.000 0.062 0.000 0.850 350 D CB -0.809 40.063 40.800 0.120 0.000 0.922 350 D HN 0.236 nan 8.370 nan 0.000 0.516 351 F N -1.519 118.513 119.950 0.137 0.000 2.598 351 F HA 0.531 5.097 4.527 0.065 0.000 0.327 351 F C -0.148 175.639 175.800 -0.021 0.000 1.057 351 F CA -1.782 56.222 58.000 0.006 0.000 0.957 351 F CB 0.882 39.845 39.000 -0.062 0.000 1.278 351 F HN -0.340 nan 8.300 nan 0.000 0.484 352 D N 1.816 122.239 120.400 0.039 0.000 2.312 352 D HA 0.166 4.846 4.640 0.066 0.000 0.252 352 D C 1.038 177.286 176.300 -0.087 0.000 1.150 352 D CA -0.003 53.960 54.000 -0.062 0.000 0.870 352 D CB 1.408 42.188 40.800 -0.035 0.000 1.153 352 D HN 0.754 nan 8.370 nan 0.000 0.457 353 L N 3.490 124.599 121.223 -0.189 0.000 2.261 353 L HA -0.140 4.240 4.340 0.066 0.000 0.216 353 L C 1.899 178.646 176.870 -0.206 0.000 1.114 353 L CA 0.707 55.421 54.840 -0.209 0.000 0.777 353 L CB -0.043 41.753 42.059 -0.439 0.000 0.910 353 L HN 0.471 nan 8.230 nan 0.000 0.440 354 L N -1.086 120.031 121.223 -0.177 0.000 2.592 354 L HA 0.087 4.467 4.340 0.066 0.000 0.227 354 L C 0.372 177.177 176.870 -0.107 0.000 1.127 354 L CA -0.171 54.631 54.840 -0.063 0.000 0.884 354 L CB -0.126 41.999 42.059 0.110 0.000 1.065 354 L HN 0.076 nan 8.230 nan 0.000 0.457 355 D N 2.000 122.095 120.400 -0.507 0.000 2.347 355 D HA 0.116 4.796 4.640 0.066 0.000 0.235 355 D C -1.627 174.451 176.300 -0.369 0.000 1.149 355 D CA -2.209 51.234 54.000 -0.928 0.000 0.850 355 D CB 1.557 41.563 40.800 -1.322 0.000 1.061 355 D HN -0.056 nan 8.370 nan 0.000 0.487 356 P HA -0.010 nan 4.420 nan 0.000 0.249 356 P C 0.823 178.036 177.300 -0.145 0.000 1.229 356 P CA 0.418 63.457 63.100 -0.100 0.000 0.788 356 P CB -0.063 31.669 31.700 0.053 0.000 1.072 357 T N -4.203 110.253 114.554 -0.163 0.000 3.129 357 T HA 0.131 4.521 4.350 0.066 0.000 0.251 357 T C 0.767 175.374 174.700 -0.156 0.000 1.117 357 T CA 0.062 62.072 62.100 -0.149 0.000 1.034 357 T CB -0.223 68.602 68.868 -0.071 0.000 0.968 357 T HN -0.138 nan 8.240 nan 0.000 0.526 358 K N 2.005 122.222 120.400 -0.304 0.000 2.221 358 K HA 0.568 4.928 4.320 0.066 0.000 0.258 358 K C -0.335 176.076 176.600 -0.315 0.000 0.944 358 K CA -0.874 55.108 56.287 -0.508 0.000 0.823 358 K CB 2.135 34.216 32.500 -0.698 0.000 1.113 358 K HN 0.296 nan 8.250 nan 0.000 0.431 359 L N -0.270 120.892 121.223 -0.102 0.000 2.387 359 L HA 0.666 5.045 4.340 0.066 0.000 0.266 359 L C -0.075 176.605 176.870 -0.316 0.000 1.059 359 L CA -0.492 54.254 54.840 -0.156 0.000 0.801 359 L CB 0.348 42.401 42.059 -0.010 0.000 1.223 359 L HN 0.444 nan 8.230 nan 0.000 0.456 360 I N 1.424 121.899 120.570 -0.158 0.000 2.328 360 I HA 0.395 4.605 4.170 0.066 0.000 0.287 360 I C -2.160 173.962 176.117 0.008 0.000 1.012 360 I CA -1.706 59.544 61.300 -0.083 0.000 1.195 360 I CB 1.355 39.334 38.000 -0.034 0.000 1.350 360 I HN 0.455 nan 8.210 nan 0.000 0.464 361 P HA 0.071 nan 4.420 nan 0.000 0.268 361 P C 0.264 177.621 177.300 0.095 0.000 1.204 361 P CA -0.029 63.106 63.100 0.059 0.000 0.768 361 P CB 0.622 32.350 31.700 0.047 0.000 0.842 362 E N 1.793 122.060 120.200 0.112 0.000 2.204 362 E HA -0.203 4.186 4.350 0.066 0.000 0.195 362 E C 1.356 178.006 176.600 0.083 0.000 0.990 362 E CA 0.832 57.288 56.400 0.093 0.000 0.821 362 E CB -0.067 29.690 29.700 0.095 0.000 0.750 362 E HN 0.524 nan 8.360 nan 0.000 0.477 363 E N 0.440 120.689 120.200 0.082 0.000 2.209 363 E HA -0.160 4.229 4.350 0.066 0.000 0.196 363 E C 2.050 178.710 176.600 0.101 0.000 0.993 363 E CA 0.821 57.267 56.400 0.077 0.000 0.819 363 E CB 0.048 29.786 29.700 0.064 0.000 0.745 363 E HN 0.394 nan 8.360 nan 0.000 0.477 364 L N -0.398 120.906 121.223 0.134 0.000 2.253 364 L HA 0.064 4.443 4.340 0.066 0.000 0.205 364 L C 0.636 177.624 176.870 0.196 0.000 1.078 364 L CA 0.377 55.336 54.840 0.198 0.000 0.805 364 L CB 0.513 42.757 42.059 0.307 0.000 0.963 364 L HN -0.202 nan 8.230 nan 0.000 0.459 365 V N 1.638 121.640 119.914 0.147 0.000 2.445 365 V HA 0.295 4.454 4.120 0.066 0.000 0.283 365 V C -2.361 173.779 176.094 0.077 0.000 1.014 365 V CA -1.369 61.006 62.300 0.125 0.000 0.852 365 V CB 1.613 33.507 31.823 0.119 0.000 1.021 365 V HN -0.031 nan 8.190 nan 0.000 0.435 366 P HA 0.160 nan 4.420 nan 0.000 0.272 366 P C -0.264 177.036 177.300 0.000 0.000 1.223 366 P CA 0.055 63.175 63.100 0.034 0.000 0.784 366 P CB 1.356 33.080 31.700 0.040 0.000 0.923 367 V N 3.373 123.254 119.914 -0.054 0.000 2.455 367 V HA 0.074 4.234 4.120 0.066 0.000 0.273 367 V C 0.928 177.010 176.094 -0.019 0.000 1.045 367 V CA 0.090 62.323 62.300 -0.111 0.000 0.976 367 V CB 0.238 31.906 31.823 -0.259 0.000 0.993 367 V HN 0.565 nan 8.190 nan 0.000 0.475 368 Q N 6.134 125.945 119.800 0.019 0.000 2.296 368 Q HA 0.319 4.698 4.340 0.066 0.000 0.257 368 Q C 0.343 176.338 176.000 -0.008 0.000 0.942 368 Q CA -0.823 54.994 55.803 0.024 0.000 0.939 368 Q CB 0.748 29.514 28.738 0.046 0.000 1.198 368 Q HN 0.835 nan 8.270 nan 0.000 0.429 369 R N 1.943 122.464 120.500 0.036 0.000 2.538 369 R HA 0.058 4.438 4.340 0.066 0.000 0.282 369 R C -0.415 175.924 176.300 0.064 0.000 1.009 369 R CA -0.255 55.911 56.100 0.110 0.000 1.063 369 R CB 0.510 30.940 30.300 0.217 0.000 0.945 369 R HN 0.455 nan 8.270 nan 0.000 0.414 370 V N 1.749 121.619 119.914 -0.074 0.000 3.137 370 V HA 0.358 4.517 4.120 0.066 0.000 0.236 370 V C 0.829 176.675 176.094 -0.413 0.000 1.260 370 V CA 1.023 63.145 62.300 -0.297 0.000 1.244 370 V CB 0.824 32.207 31.823 -0.733 0.000 1.016 370 V HN 1.077 nan 8.190 nan 0.000 0.477 371 G N -0.241 108.183 108.800 -0.627 0.000 2.430 371 G HA2 0.485 4.485 3.960 0.066 0.000 0.300 371 G HA3 0.485 4.485 3.960 0.066 0.000 0.300 371 G C -1.882 172.624 174.900 -0.657 0.000 1.330 371 G CA -0.522 43.888 45.100 -1.149 0.000 0.813 371 G HN 0.078 nan 8.290 nan 0.000 0.487 372 K N -0.455 119.610 120.400 -0.558 0.000 2.378 372 K HA 0.748 5.108 4.320 0.066 0.000 0.252 372 K C -0.883 175.760 176.600 0.072 0.000 0.931 372 K CA -0.802 55.465 56.287 -0.033 0.000 0.794 372 K CB 2.039 34.572 32.500 0.054 0.000 1.181 372 K HN 0.610 nan 8.250 nan 0.000 0.425 373 M N 4.606 124.381 119.600 0.291 0.000 2.321 373 M HA 0.421 4.941 4.480 0.066 0.000 0.315 373 M C -1.817 174.487 176.300 0.007 0.000 1.052 373 M CA -0.778 54.642 55.300 0.200 0.000 0.936 373 M CB 1.799 34.568 32.600 0.283 0.000 1.639 373 M HN 0.362 nan 8.290 nan 0.000 0.433 374 V N 6.227 125.972 119.914 -0.281 0.000 2.531 374 V HA 0.457 4.616 4.120 0.066 0.000 0.301 374 V C -0.644 175.305 176.094 -0.242 0.000 1.034 374 V CA -0.686 61.448 62.300 -0.278 0.000 0.865 374 V CB 1.832 33.350 31.823 -0.509 0.000 0.995 374 V HN 0.813 nan 8.190 nan 0.000 0.424 375 L N 5.540 126.722 121.223 -0.068 0.000 2.262 375 L HA 0.519 4.898 4.340 0.066 0.000 0.288 375 L C 0.491 177.291 176.870 -0.117 0.000 1.035 375 L CA -0.299 54.503 54.840 -0.063 0.000 0.820 375 L CB 1.050 43.118 42.059 0.015 0.000 1.204 375 L HN 0.861 nan 8.230 nan 0.000 0.424 376 N N 2.384 120.922 118.700 -0.270 0.000 2.160 376 N HA 0.143 4.923 4.740 0.066 0.000 0.226 376 N C -0.024 175.314 175.510 -0.287 0.000 1.256 376 N CA -0.383 52.266 53.050 -0.669 0.000 0.890 376 N CB 0.798 38.552 38.487 -1.221 0.000 1.116 376 N HN 0.468 nan 8.380 nan 0.000 0.517 377 R N 0.078 120.514 120.500 -0.106 0.000 2.604 377 R HA 0.340 4.720 4.340 0.066 0.000 0.270 377 R C -1.302 174.954 176.300 -0.073 0.000 1.052 377 R CA -0.596 55.459 56.100 -0.076 0.000 0.902 377 R CB 1.384 31.642 30.300 -0.069 0.000 1.233 377 R HN 0.044 nan 8.270 nan 0.000 0.455 378 N N 3.051 121.595 118.700 -0.261 0.000 2.513 378 N HA 0.303 5.082 4.740 0.066 0.000 0.274 378 N C -2.266 173.165 175.510 -0.132 0.000 1.189 378 N CA -1.254 51.487 53.050 -0.515 0.000 0.975 378 N CB 0.774 38.303 38.487 -1.598 0.000 1.157 378 N HN 0.329 nan 8.380 nan 0.000 0.465 379 P HA 0.101 nan 4.420 nan 0.000 0.274 379 P C 0.080 177.556 177.300 0.294 0.000 1.260 379 P CA -0.090 63.192 63.100 0.304 0.000 0.793 379 P CB 1.129 33.057 31.700 0.381 0.000 1.048 380 D N -1.168 119.384 120.400 0.253 0.000 2.197 380 D HA -0.022 4.657 4.640 0.066 0.000 0.212 380 D C 0.501 176.981 176.300 0.300 0.000 0.963 380 D CA 1.347 55.496 54.000 0.249 0.000 0.864 380 D CB 0.129 41.014 40.800 0.142 0.000 1.009 380 D HN 0.390 nan 8.370 nan 0.000 0.479 381 N N -0.171 118.694 118.700 0.275 0.000 2.448 381 N HA 0.013 4.793 4.740 0.066 0.000 0.279 381 N C 0.051 175.770 175.510 0.348 0.000 1.025 381 N CA -0.320 52.905 53.050 0.292 0.000 0.898 381 N CB 1.513 40.137 38.487 0.228 0.000 1.303 381 N HN -0.154 nan 8.380 nan 0.000 0.495 382 F N 4.364 124.470 119.950 0.259 0.000 2.095 382 F HA -0.176 4.391 4.527 0.067 0.000 0.298 382 F C 1.665 177.600 175.800 0.225 0.000 1.104 382 F CA 1.486 59.641 58.000 0.259 0.000 1.232 382 F CB -0.110 39.019 39.000 0.214 0.000 0.987 382 F HN 0.600 nan 8.300 nan 0.000 0.475 383 F N 0.824 121.025 119.950 0.418 0.000 2.069 383 F HA -0.192 4.375 4.527 0.066 0.000 0.298 383 F C 2.343 178.203 175.800 0.100 0.000 1.113 383 F CA 1.886 60.040 58.000 0.257 0.000 1.214 383 F CB -0.958 38.170 39.000 0.212 0.000 0.978 383 F HN 0.005 nan 8.300 nan 0.000 0.474 384 A N -0.393 122.561 122.820 0.222 0.000 1.902 384 A HA -0.175 4.184 4.320 0.066 0.000 0.217 384 A C 2.086 179.604 177.584 -0.109 0.000 1.181 384 A CA 2.053 54.136 52.037 0.076 0.000 0.623 384 A CB -0.688 18.399 19.000 0.146 0.000 0.818 384 A HN 0.591 nan 8.150 nan 0.000 0.443 385 E N -1.470 118.676 120.200 -0.090 0.000 2.162 385 E HA -0.054 4.336 4.350 0.066 0.000 0.193 385 E C 1.945 178.452 176.600 -0.154 0.000 0.953 385 E CA 0.435 56.719 56.400 -0.194 0.000 0.849 385 E CB -0.087 29.545 29.700 -0.114 0.000 0.810 385 E HN 0.572 nan 8.360 nan 0.000 0.470 386 N N 1.376 119.972 118.700 -0.173 0.000 2.240 386 N HA -0.155 4.625 4.740 0.066 0.000 0.187 386 N C 1.834 177.171 175.510 -0.290 0.000 1.042 386 N CA 1.345 54.238 53.050 -0.262 0.000 0.861 386 N CB 0.028 37.949 38.487 -0.942 0.000 1.026 386 N HN -0.073 nan 8.380 nan 0.000 0.441 387 E N 0.770 120.723 120.200 -0.411 0.000 2.118 387 E HA -0.130 4.259 4.350 0.066 0.000 0.195 387 E C 1.570 177.972 176.600 -0.329 0.000 0.992 387 E CA 1.578 57.810 56.400 -0.279 0.000 0.804 387 E CB -0.145 29.412 29.700 -0.238 0.000 0.741 387 E HN 0.516 nan 8.360 nan 0.000 0.458 388 Q N -0.364 119.179 119.800 -0.429 0.000 2.360 388 Q HA 0.283 4.663 4.340 0.066 0.000 0.202 388 Q C -0.037 175.843 176.000 -0.199 0.000 0.915 388 Q CA 0.160 55.765 55.803 -0.330 0.000 0.943 388 Q CB 0.615 29.136 28.738 -0.362 0.000 1.064 388 Q HN 0.227 nan 8.270 nan 0.000 0.511 389 A N 1.228 123.955 122.820 -0.156 0.000 2.498 389 A HA 0.461 4.821 4.320 0.066 0.000 0.239 389 A C -0.119 177.366 177.584 -0.166 0.000 1.068 389 A CA 0.170 52.100 52.037 -0.178 0.000 0.766 389 A CB 0.246 19.204 19.000 -0.069 0.000 1.003 389 A HN 0.280 nan 8.150 nan 0.000 0.497 390 A N 2.312 124.978 122.820 -0.257 0.000 2.311 390 A HA 0.718 5.078 4.320 0.066 0.000 0.306 390 A C -0.739 176.726 177.584 -0.197 0.000 1.189 390 A CA -0.428 51.529 52.037 -0.132 0.000 0.791 390 A CB 0.349 19.275 19.000 -0.124 0.000 1.172 390 A HN 0.663 nan 8.150 nan 0.000 0.481 391 F N 0.766 120.731 119.950 0.025 0.000 2.492 391 F HA 0.680 5.247 4.527 0.065 0.000 0.327 391 F C 0.267 176.059 175.800 -0.013 0.000 1.079 391 F CA -0.303 57.690 58.000 -0.011 0.000 0.967 391 F CB 2.107 41.034 39.000 -0.121 0.000 1.169 391 F HN 0.758 nan 8.300 nan 0.000 0.472 392 H N 2.760 121.720 119.070 -0.184 0.000 3.099 392 H HA 0.258 4.859 4.556 0.075 0.000 0.342 392 H C -2.478 172.493 175.328 -0.596 0.000 1.054 392 H CA -1.646 54.062 56.048 -0.568 0.000 1.328 392 H CB 2.670 32.036 29.762 -0.659 0.000 1.876 392 H HN 0.185 nan 8.280 nan 0.000 0.495 393 P HA 0.000 nan 4.420 nan 0.000 0.230 393 P C 1.113 178.309 177.300 -0.174 0.000 1.158 393 P CA 1.241 64.034 63.100 -0.513 0.000 0.769 393 P CB 0.132 31.587 31.700 -0.409 0.000 0.807 394 G N -1.144 107.397 108.800 -0.431 0.000 2.744 394 G HA2 -0.131 3.868 3.960 0.066 0.000 0.211 394 G HA3 -0.131 3.868 3.960 0.066 0.000 0.211 394 G C 0.417 175.565 174.900 0.412 0.000 1.143 394 G CA -0.062 45.173 45.100 0.225 0.000 0.788 394 G HN 0.434 nan 8.290 nan 0.000 0.534 395 H N 0.767 119.981 119.070 0.240 0.000 3.092 395 H HA 0.320 4.912 4.556 0.061 0.000 0.263 395 H C 0.605 176.042 175.328 0.181 0.000 1.611 395 H CA -0.790 55.350 56.048 0.153 0.000 1.457 395 H CB -0.098 29.718 29.762 0.090 0.000 1.731 395 H HN 0.386 nan 8.280 nan 0.000 0.532 396 I N -0.547 120.151 120.570 0.213 0.000 3.205 396 I HA 0.671 4.881 4.170 0.066 0.000 0.310 396 I C -0.086 176.008 176.117 -0.040 0.000 1.089 396 I CA -1.346 59.992 61.300 0.063 0.000 1.023 396 I CB 1.764 39.697 38.000 -0.111 0.000 1.269 396 I HN 0.085 nan 8.210 nan 0.000 0.512 397 V N -2.312 117.560 119.914 -0.069 0.000 3.130 397 V HA 0.669 4.829 4.120 0.066 0.000 0.310 397 V C -2.870 173.319 176.094 0.158 0.000 1.158 397 V CA -2.495 59.829 62.300 0.040 0.000 1.029 397 V CB 1.055 32.884 31.823 0.011 0.000 1.057 397 V HN 0.608 nan 8.190 nan 0.000 0.436 398 P HA 0.420 nan 4.420 nan 0.000 0.267 398 P C 0.870 178.173 177.300 0.005 0.000 1.205 398 P CA 1.953 65.130 63.100 0.129 0.000 0.765 398 P CB 0.858 32.609 31.700 0.084 0.000 0.828 399 G N 1.768 110.525 108.800 -0.071 0.000 2.218 399 G HA2 -0.152 3.847 3.960 0.066 0.000 0.216 399 G HA3 -0.152 3.847 3.960 0.066 0.000 0.216 399 G C -0.257 174.561 174.900 -0.136 0.000 0.994 399 G CA -0.441 44.597 45.100 -0.103 0.000 0.637 399 G HN 0.435 nan 8.290 nan 0.000 0.505 400 L N 0.077 121.231 121.223 -0.114 0.000 2.323 400 L HA 0.916 5.295 4.340 0.066 0.000 0.265 400 L C -0.491 176.324 176.870 -0.093 0.000 1.012 400 L CA -1.046 53.703 54.840 -0.152 0.000 0.820 400 L CB 2.110 43.998 42.059 -0.286 0.000 1.334 400 L HN 0.115 nan 8.230 nan 0.000 0.427 401 D N -0.697 119.631 120.400 -0.120 0.000 2.692 401 D HA 0.454 5.134 4.640 0.066 0.000 0.303 401 D C -1.181 175.026 176.300 -0.154 0.000 1.278 401 D CA -0.371 53.509 54.000 -0.201 0.000 0.852 401 D CB 1.775 42.538 40.800 -0.061 0.000 1.375 401 D HN 0.121 nan 8.370 nan 0.000 0.453 402 F N -0.198 119.881 119.950 0.215 0.000 2.291 402 F HA 0.528 5.095 4.527 0.067 0.000 0.305 402 F C 1.489 177.306 175.800 0.029 0.000 1.171 402 F CA -0.207 57.840 58.000 0.079 0.000 1.090 402 F CB 0.982 40.001 39.000 0.031 0.000 1.436 402 F HN 0.233 nan 8.300 nan 0.000 0.509 403 T N -3.325 111.330 114.554 0.168 0.000 2.716 403 T HA 0.313 4.702 4.350 0.066 0.000 0.286 403 T C -0.191 174.547 174.700 0.064 0.000 1.052 403 T CA -0.993 61.187 62.100 0.134 0.000 1.024 403 T CB 1.189 70.117 68.868 0.100 0.000 1.349 403 T HN 0.344 nan 8.240 nan 0.000 0.525 404 N N 1.191 119.931 118.700 0.066 0.000 2.370 404 N HA 0.083 4.862 4.740 0.066 0.000 0.198 404 N C -0.048 175.467 175.510 0.008 0.000 1.156 404 N CA -0.012 53.056 53.050 0.031 0.000 0.839 404 N CB -0.354 38.168 38.487 0.059 0.000 0.989 404 N HN 0.682 nan 8.380 nan 0.000 0.468 405 D N 2.253 122.640 120.400 -0.021 0.000 2.662 405 D HA -0.087 4.592 4.640 0.066 0.000 0.233 405 D C -1.495 174.785 176.300 -0.032 0.000 1.129 405 D CA -0.702 53.300 54.000 0.003 0.000 0.851 405 D CB 1.273 42.013 40.800 -0.099 0.000 1.152 405 D HN 0.159 nan 8.370 nan 0.000 0.507 406 P HA -0.034 nan 4.420 nan 0.000 0.245 406 P C 1.429 178.735 177.300 0.011 0.000 1.206 406 P CA -0.079 63.026 63.100 0.009 0.000 0.781 406 P CB 0.510 32.212 31.700 0.002 0.000 0.994 407 L N -0.042 121.199 121.223 0.029 0.000 2.084 407 L HA 0.017 4.397 4.340 0.066 0.000 0.202 407 L C 2.350 179.108 176.870 -0.186 0.000 1.074 407 L CA 1.244 56.088 54.840 0.007 0.000 0.757 407 L CB -1.511 40.643 42.059 0.159 0.000 0.918 407 L HN -0.166 nan 8.230 nan 0.000 0.444 408 L N -0.569 120.348 121.223 -0.510 0.000 2.042 408 L HA -0.240 4.139 4.340 0.066 0.000 0.210 408 L C 2.463 179.068 176.870 -0.442 0.000 1.076 408 L CA 1.794 56.145 54.840 -0.815 0.000 0.749 408 L CB -0.865 40.473 42.059 -1.201 0.000 0.893 408 L HN 0.371 nan 8.230 nan 0.000 0.432 409 Q N -0.130 119.485 119.800 -0.308 0.000 2.077 409 Q HA -0.184 4.195 4.340 0.066 0.000 0.206 409 Q C 2.124 178.040 176.000 -0.141 0.000 0.989 409 Q CA 1.936 57.607 55.803 -0.221 0.000 0.853 409 Q CB -0.910 27.752 28.738 -0.128 0.000 0.907 409 Q HN 0.709 nan 8.270 nan 0.000 0.418 410 G N 0.520 109.269 108.800 -0.086 0.000 2.403 410 G HA2 -0.221 3.779 3.960 0.066 0.000 0.216 410 G HA3 -0.221 3.779 3.960 0.066 0.000 0.216 410 G C 1.521 176.433 174.900 0.020 0.000 1.154 410 G CA 0.318 45.417 45.100 -0.002 0.000 0.784 410 G HN 0.255 nan 8.290 nan 0.000 0.538 411 R N -0.014 120.444 120.500 -0.069 0.000 2.103 411 R HA -0.030 4.349 4.340 0.066 0.000 0.242 411 R C 2.532 178.912 176.300 0.134 0.000 1.142 411 R CA 1.116 57.237 56.100 0.034 0.000 0.960 411 R CB -0.558 29.711 30.300 -0.052 0.000 0.858 411 R HN 0.346 nan 8.270 nan 0.000 0.439 412 L N -0.356 120.838 121.223 -0.048 0.000 2.129 412 L HA -0.216 4.163 4.340 0.066 0.000 0.212 412 L C 2.314 179.321 176.870 0.228 0.000 1.087 412 L CA 1.149 55.998 54.840 0.014 0.000 0.757 412 L CB -0.499 41.415 42.059 -0.242 0.000 0.896 412 L HN 0.168 nan 8.230 nan 0.000 0.434 413 F N 0.106 120.093 119.950 0.062 0.000 2.163 413 F HA -0.171 4.378 4.527 0.036 0.000 0.297 413 F C 2.755 178.596 175.800 0.068 0.000 1.094 413 F CA 1.555 59.583 58.000 0.047 0.000 1.290 413 F CB -0.220 38.787 39.000 0.011 0.000 1.017 413 F HN -0.055 nan 8.300 nan 0.000 0.483 414 S N -0.841 114.844 115.700 -0.025 0.000 2.371 414 S HA -0.188 4.321 4.470 0.066 0.000 0.224 414 S C 2.028 176.501 174.600 -0.213 0.000 1.029 414 S CA 1.263 59.349 58.200 -0.191 0.000 0.978 414 S CB -0.750 62.371 63.200 -0.132 0.000 0.833 414 S HN 0.526 nan 8.310 nan 0.000 0.466 415 Y N 1.882 122.197 120.300 0.024 0.000 2.439 415 Y HA -0.055 4.532 4.550 0.061 0.000 0.292 415 Y C 2.974 178.613 175.900 -0.434 0.000 1.130 415 Y CA 1.305 59.477 58.100 0.120 0.000 1.254 415 Y CB -0.477 38.958 38.460 1.625 0.000 1.000 415 Y HN 0.513 nan 8.280 nan 0.000 0.554 416 T N -3.002 111.211 114.554 -0.569 0.000 2.852 416 T HA -0.128 4.262 4.350 0.066 0.000 0.256 416 T C 1.546 176.045 174.700 -0.336 0.000 1.038 416 T CA 1.133 62.974 62.100 -0.432 0.000 1.141 416 T CB -0.513 68.151 68.868 -0.339 0.000 0.869 416 T HN 0.226 nan 8.240 nan 0.000 0.439 417 D N 1.455 121.595 120.400 -0.434 0.000 2.092 417 D HA -0.156 4.524 4.640 0.066 0.000 0.193 417 D C 2.295 178.438 176.300 -0.261 0.000 0.994 417 D CA 2.023 55.784 54.000 -0.398 0.000 0.828 417 D CB -0.891 39.489 40.800 -0.700 0.000 0.963 417 D HN 0.368 nan 8.370 nan 0.000 0.450 418 T N -1.000 113.391 114.554 -0.272 0.000 2.803 418 T HA -0.162 4.228 4.350 0.066 0.000 0.269 418 T C 1.636 176.212 174.700 -0.205 0.000 1.052 418 T CA 1.322 63.303 62.100 -0.198 0.000 1.136 418 T CB -0.244 68.506 68.868 -0.196 0.000 0.864 418 T HN 0.148 nan 8.240 nan 0.000 0.467 419 Q N 0.555 120.160 119.800 -0.324 0.000 2.291 419 Q HA 0.009 4.389 4.340 0.066 0.000 0.206 419 Q C 2.244 178.122 176.000 -0.204 0.000 0.976 419 Q CA 0.654 56.203 55.803 -0.424 0.000 0.875 419 Q CB -0.442 27.636 28.738 -1.099 0.000 0.927 419 Q HN 0.512 nan 8.270 nan 0.000 0.450 420 I N 0.842 121.346 120.570 -0.110 0.000 2.286 420 I HA -0.215 3.995 4.170 0.066 0.000 0.248 420 I C 2.302 178.425 176.117 0.010 0.000 1.115 420 I CA 1.760 63.061 61.300 0.002 0.000 1.392 420 I CB -1.418 36.590 38.000 0.014 0.000 1.065 420 I HN 0.201 nan 8.210 nan 0.000 0.418 421 S N 0.303 115.994 115.700 -0.017 0.000 2.404 421 S HA -0.074 4.436 4.470 0.066 0.000 0.223 421 S C 2.184 176.782 174.600 -0.002 0.000 1.040 421 S CA 0.214 58.416 58.200 0.004 0.000 0.957 421 S CB -0.324 62.879 63.200 0.005 0.000 0.826 421 S HN 0.324 nan 8.310 nan 0.000 0.491 422 R N 0.851 121.327 120.500 -0.040 0.000 2.075 422 R HA 0.190 4.569 4.340 0.066 0.000 0.232 422 R C 1.376 177.656 176.300 -0.034 0.000 1.126 422 R CA 1.352 57.428 56.100 -0.039 0.000 0.963 422 R CB -0.204 30.049 30.300 -0.078 0.000 0.858 422 R HN 0.447 nan 8.270 nan 0.000 0.435 423 L N -0.682 120.509 121.223 -0.053 0.000 2.857 423 L HA 0.334 4.714 4.340 0.066 0.000 0.249 423 L C 0.756 177.641 176.870 0.026 0.000 1.172 423 L CA 0.271 55.092 54.840 -0.031 0.000 0.980 423 L CB 1.169 43.200 42.059 -0.047 0.000 1.299 423 L HN 0.568 nan 8.230 nan 0.000 0.535 424 G N 0.106 108.943 108.800 0.063 0.000 2.162 424 G HA2 -0.139 3.861 3.960 0.066 0.000 0.260 424 G HA3 -0.139 3.861 3.960 0.066 0.000 0.260 424 G C 0.450 175.473 174.900 0.205 0.000 0.976 424 G CA 0.093 45.278 45.100 0.142 0.000 0.655 424 G HN 0.770 nan 8.290 nan 0.000 0.533 425 G N -1.739 107.172 108.800 0.185 0.000 2.343 425 G HA2 0.612 4.611 3.960 0.066 0.000 0.289 425 G HA3 0.612 4.611 3.960 0.066 0.000 0.289 425 G C -2.140 172.923 174.900 0.272 0.000 1.295 425 G CA 0.384 45.604 45.100 0.200 0.000 0.869 425 G HN 0.421 nan 8.290 nan 0.000 0.522 426 P HA 0.104 nan 4.420 nan 0.000 0.249 426 P C 0.409 177.753 177.300 0.072 0.000 1.229 426 P CA 0.377 63.598 63.100 0.203 0.000 0.788 426 P CB 0.194 31.963 31.700 0.116 0.000 1.072 427 N N 0.427 119.174 118.700 0.077 0.000 2.322 427 N HA 0.036 4.816 4.740 0.066 0.000 0.216 427 N C 1.130 176.520 175.510 -0.200 0.000 1.144 427 N CA -0.102 52.886 53.050 -0.103 0.000 0.830 427 N CB -0.707 37.746 38.487 -0.055 0.000 1.034 427 N HN 0.282 nan 8.380 nan 0.000 0.484 428 F N 1.128 121.070 119.950 -0.015 0.000 2.307 428 F HA -0.144 4.412 4.527 0.049 0.000 0.301 428 F C 2.253 177.994 175.800 -0.099 0.000 1.076 428 F CA 0.940 58.901 58.000 -0.066 0.000 1.383 428 F CB -0.844 38.135 39.000 -0.035 0.000 1.055 428 F HN 0.186 nan 8.300 nan 0.000 0.526 429 H N 0.404 119.108 119.070 -0.610 0.000 2.521 429 H HA 0.021 4.616 4.556 0.064 0.000 0.286 429 H C 0.978 176.148 175.328 -0.264 0.000 1.034 429 H CA 1.433 57.213 56.048 -0.447 0.000 1.278 429 H CB -0.797 28.561 29.762 -0.673 0.000 1.386 429 H HN 0.541 nan 8.280 nan 0.000 0.567 430 E N 0.893 120.680 120.200 -0.688 0.000 2.442 430 E HA 0.166 4.555 4.350 0.066 0.000 0.195 430 E C 0.423 176.903 176.600 -0.200 0.000 1.030 430 E CA -0.270 55.877 56.400 -0.422 0.000 0.869 430 E CB 0.472 29.922 29.700 -0.418 0.000 0.857 430 E HN 0.432 nan 8.360 nan 0.000 0.505 431 I N 2.523 122.999 120.570 -0.157 0.000 2.683 431 I HA -0.062 4.148 4.170 0.066 0.000 0.286 431 I C -1.562 174.493 176.117 -0.102 0.000 1.175 431 I CA -1.321 59.918 61.300 -0.102 0.000 1.429 431 I CB 0.571 38.525 38.000 -0.078 0.000 1.371 431 I HN -0.198 nan 8.210 nan 0.000 0.569 432 P HA -0.217 nan 4.420 nan 0.000 0.215 432 P C 1.768 178.993 177.300 -0.124 0.000 1.157 432 P CA 1.166 64.207 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 -0.502 119.966 120.570 -0.170 0.000 2.315 433 I HA -0.231 3.979 4.170 0.066 0.000 0.251 433 I C 1.313 177.353 176.117 -0.127 0.000 1.125 433 I CA 1.776 62.923 61.300 -0.255 0.000 1.392 433 I CB -0.606 37.122 38.000 -0.453 0.000 1.065 433 I HN -0.085 nan 8.210 nan 0.000 0.424 434 N N 0.475 119.119 118.700 -0.094 0.000 2.422 434 N HA 0.048 4.828 4.740 0.066 0.000 0.181 434 N C 0.281 175.792 175.510 0.001 0.000 1.080 434 N CA 0.203 53.223 53.050 -0.050 0.000 0.893 434 N CB -0.063 38.412 38.487 -0.020 0.000 0.973 434 N HN 0.370 nan 8.380 nan 0.000 0.456 435 R N 1.717 122.218 120.500 0.002 0.000 2.489 435 R HA 0.160 4.539 4.340 0.066 0.000 0.287 435 R C -2.256 174.104 176.300 0.099 0.000 1.053 435 R CA -1.266 54.839 56.100 0.008 0.000 1.036 435 R CB -0.036 30.254 30.300 -0.015 0.000 0.966 435 R HN 0.016 nan 8.270 nan 0.000 0.432 436 P HA -0.039 nan 4.420 nan 0.000 0.268 436 P C 0.684 178.056 177.300 0.121 0.000 1.205 436 P CA 0.085 63.262 63.100 0.129 0.000 0.771 436 P CB 0.710 32.441 31.700 0.052 0.000 0.858 437 T N -0.711 113.930 114.554 0.145 0.000 3.014 437 T HA 0.134 4.524 4.350 0.066 0.000 0.263 437 T C 0.957 175.704 174.700 0.078 0.000 1.078 437 T CA 0.261 62.401 62.100 0.068 0.000 1.135 437 T CB -0.433 68.459 68.868 0.040 0.000 0.895 437 T HN 0.463 nan 8.240 nan 0.000 0.480 438 A N 3.149 126.030 122.820 0.102 0.000 2.425 438 A HA 0.524 4.883 4.320 0.066 0.000 0.242 438 A C -2.092 175.549 177.584 0.095 0.000 1.077 438 A CA -1.291 50.802 52.037 0.094 0.000 0.781 438 A CB -0.432 18.627 19.000 0.097 0.000 1.020 438 A HN 0.302 nan 8.150 nan 0.000 0.494 439 P HA 0.280 nan 4.420 nan 0.000 0.269 439 P C -1.032 176.329 177.300 0.102 0.000 1.209 439 P CA 0.660 63.818 63.100 0.097 0.000 0.776 439 P CB 0.113 31.921 31.700 0.180 0.000 0.876 440 Y N 0.550 120.721 120.300 -0.214 0.000 2.396 440 Y HA 0.651 5.241 4.550 0.066 0.000 0.332 440 Y C -1.445 174.130 175.900 -0.543 0.000 1.034 440 Y CA -0.930 57.038 58.100 -0.221 0.000 1.057 440 Y CB 1.331 39.685 38.460 -0.176 0.000 1.220 440 Y HN 0.416 nan 8.280 nan 0.000 0.440 441 H N 3.801 122.736 119.070 -0.226 0.000 2.865 441 H HA 0.581 5.176 4.556 0.066 0.000 0.362 441 H C -1.088 174.105 175.328 -0.225 0.000 1.114 441 H CA -0.756 55.078 56.048 -0.357 0.000 1.208 441 H CB 1.731 31.330 29.762 -0.272 0.000 1.727 441 H HN 0.894 nan 8.280 nan 0.000 0.534 442 N N 0.333 118.916 118.700 -0.196 0.000 3.449 442 N HA 0.185 4.964 4.740 0.066 0.000 0.312 442 N C -1.227 174.055 175.510 -0.379 0.000 1.557 442 N CA -0.901 51.991 53.050 -0.264 0.000 0.864 442 N CB 0.688 39.183 38.487 0.014 0.000 1.799 442 N HN 0.320 nan 8.380 nan 0.000 0.554 443 F N -0.406 119.588 119.950 0.073 0.000 2.639 443 F HA 0.377 4.939 4.527 0.059 0.000 0.302 443 F C 0.298 176.142 175.800 0.074 0.000 1.097 443 F CA -0.384 57.653 58.000 0.061 0.000 1.294 443 F CB 0.310 39.339 39.000 0.048 0.000 1.027 443 F HN 0.125 nan 8.300 nan 0.000 0.550 444 Q N 1.804 121.719 119.800 0.192 0.000 2.314 444 Q HA 0.395 4.774 4.340 0.066 0.000 0.258 444 Q C 0.014 176.096 176.000 0.137 0.000 0.954 444 Q CA -0.059 55.834 55.803 0.149 0.000 0.890 444 Q CB 1.070 29.871 28.738 0.106 0.000 1.210 444 Q HN 0.084 nan 8.270 nan 0.000 0.410 445 R N 1.890 122.462 120.500 0.121 0.000 2.837 445 R HA 0.383 4.762 4.340 0.066 0.000 0.271 445 R C -0.534 175.816 176.300 0.084 0.000 0.993 445 R CA -0.632 55.529 56.100 0.103 0.000 0.931 445 R CB 1.236 31.598 30.300 0.103 0.000 1.206 445 R HN 0.703 nan 8.270 nan 0.000 0.474 446 D N -0.170 120.271 120.400 0.069 0.000 3.507 446 D HA -0.174 4.505 4.640 0.066 0.000 0.195 446 D C 0.344 176.673 176.300 0.049 0.000 1.323 446 D CA 1.911 55.941 54.000 0.050 0.000 1.106 446 D CB -1.139 39.687 40.800 0.044 0.000 0.619 446 D HN 0.901 nan 8.370 nan 0.000 0.732 447 G N -1.182 107.640 108.800 0.037 0.000 2.733 447 G HA2 0.172 4.171 3.960 0.066 0.000 0.686 447 G HA3 0.172 4.171 3.960 0.066 0.000 0.686 447 G C -0.236 174.666 174.900 0.004 0.000 1.373 447 G CA 0.096 45.217 45.100 0.035 0.000 0.838 447 G HN 0.792 nan 8.290 nan 0.000 0.588 448 M N 2.313 121.902 119.600 -0.018 0.000 2.252 448 M HA 0.413 4.933 4.480 0.066 0.000 0.333 448 M C 1.415 177.644 176.300 -0.118 0.000 1.111 448 M CA 0.831 56.035 55.300 -0.160 0.000 1.140 448 M CB -0.423 32.038 32.600 -0.232 0.000 1.538 448 M HN 1.158 nan 8.290 nan 0.000 0.448 449 H N 0.395 119.471 119.070 0.009 0.000 2.839 449 H HA -0.167 4.427 4.556 0.063 0.000 0.298 449 H C -0.357 174.963 175.328 -0.014 0.000 1.224 449 H CA 0.676 56.725 56.048 0.001 0.000 1.144 449 H CB -1.838 27.926 29.762 0.003 0.000 1.372 449 H HN 0.605 nan 8.280 nan 0.000 0.408 450 R N 1.209 121.737 120.500 0.047 0.000 2.351 450 R HA 0.131 4.510 4.340 0.066 0.000 0.318 450 R C 1.267 177.581 176.300 0.024 0.000 1.055 450 R CA -0.117 56.002 56.100 0.031 0.000 0.968 450 R CB 0.347 30.663 30.300 0.027 0.000 0.974 450 R HN 0.125 nan 8.270 nan 0.000 0.439 451 M N 2.520 122.123 119.600 0.005 0.000 2.412 451 M HA 0.227 4.746 4.480 0.066 0.000 0.263 451 M C 0.938 177.238 176.300 0.000 0.000 1.122 451 M CA 0.989 56.288 55.300 -0.001 0.000 1.179 451 M CB -0.834 31.750 32.600 -0.025 0.000 1.335 451 M HN 0.698 nan 8.290 nan 0.000 0.465 452 G N 1.827 110.631 108.800 0.006 0.000 2.365 452 G HA2 0.386 4.385 3.960 0.066 0.000 0.249 452 G HA3 0.386 4.385 3.960 0.066 0.000 0.249 452 G C -0.324 174.579 174.900 0.005 0.000 1.288 452 G CA -0.385 44.717 45.100 0.005 0.000 0.887 452 G HN 0.323 nan 8.290 nan 0.000 0.524 453 I N 2.863 123.429 120.570 -0.007 0.000 2.307 453 I HA 0.091 4.300 4.170 0.066 0.000 0.287 453 I C -0.234 175.878 176.117 -0.007 0.000 1.054 453 I CA -0.526 60.773 61.300 -0.001 0.000 1.218 453 I CB 0.837 38.836 38.000 -0.002 0.000 1.398 453 I HN 0.363 nan 8.210 nan 0.000 0.475 454 D N 4.947 125.349 120.400 0.002 0.000 2.383 454 D HA 0.038 4.718 4.640 0.066 0.000 0.252 454 D C 1.276 177.581 176.300 0.008 0.000 1.166 454 D CA 0.266 54.265 54.000 -0.002 0.000 0.879 454 D CB 1.749 42.554 40.800 0.009 0.000 1.164 454 D HN 0.570 nan 8.370 nan 0.000 0.462 455 T N -0.716 113.838 114.554 0.000 0.000 3.081 455 T HA -0.080 4.310 4.350 0.066 0.000 0.250 455 T C 0.860 175.571 174.700 0.019 0.000 1.100 455 T CA -0.490 61.614 62.100 0.007 0.000 1.038 455 T CB 0.136 69.001 68.868 -0.005 0.000 0.962 455 T HN 0.121 nan 8.240 nan 0.000 0.516 456 N N 3.322 122.036 118.700 0.022 0.000 2.434 456 N HA 0.102 4.882 4.740 0.066 0.000 0.268 456 N C -1.690 173.862 175.510 0.071 0.000 1.256 456 N CA -1.652 51.424 53.050 0.044 0.000 0.914 456 N CB 1.367 39.881 38.487 0.045 0.000 1.088 456 N HN 0.054 nan 8.380 nan 0.000 0.478 457 P HA -0.076 nan 4.420 nan 0.000 0.218 457 P C -0.556 176.808 177.300 0.106 0.000 1.146 457 P CA 1.074 64.221 63.100 0.079 0.000 0.813 457 P CB 0.182 31.924 31.700 0.070 0.000 0.778 458 A N 0.507 123.379 122.820 0.087 0.000 2.305 458 A HA 0.392 4.751 4.320 0.066 0.000 0.322 458 A C 0.452 178.137 177.584 0.168 0.000 1.187 458 A CA -0.651 51.389 52.037 0.005 0.000 0.825 458 A CB -0.010 18.816 19.000 -0.290 0.000 1.164 458 A HN 0.284 nan 8.150 nan 0.000 0.498 459 N N 0.466 119.303 118.700 0.229 0.000 2.401 459 N HA 0.387 5.167 4.740 0.066 0.000 0.264 459 N C -0.910 174.755 175.510 0.259 0.000 1.238 459 N CA -0.380 52.878 53.050 0.347 0.000 0.889 459 N CB 0.285 38.934 38.487 0.271 0.000 1.196 459 N HN 0.683 nan 8.380 nan 0.000 0.511 460 Y N -1.298 118.859 120.300 -0.239 0.000 2.609 460 Y HA 0.655 5.241 4.550 0.061 0.000 0.336 460 Y C -1.500 173.777 175.900 -1.038 0.000 1.129 460 Y CA -1.367 56.429 58.100 -0.507 0.000 1.040 460 Y CB 0.951 39.277 38.460 -0.224 0.000 1.310 460 Y HN 0.101 nan 8.280 nan 0.000 0.460 461 E N 0.686 120.385 120.200 -0.835 0.000 2.383 461 E HA 0.662 5.051 4.350 0.066 0.000 0.275 461 E C -3.141 173.352 176.600 -0.178 0.000 0.918 461 E CA -2.091 53.944 56.400 -0.608 0.000 0.764 461 E CB 1.510 30.803 29.700 -0.678 0.000 1.252 461 E HN 0.573 nan 8.360 nan 0.000 0.449 462 P HA 0.243 nan 4.420 nan 0.000 0.271 462 P C -1.270 175.987 177.300 -0.072 0.000 1.216 462 P CA -0.376 62.658 63.100 -0.110 0.000 0.776 462 P CB 0.406 32.076 31.700 -0.050 0.000 0.881 463 N N -1.241 117.338 118.700 -0.201 0.000 2.229 463 N HA 0.329 5.109 4.740 0.066 0.000 0.298 463 N C 0.354 175.817 175.510 -0.078 0.000 1.114 463 N CA -0.761 52.181 53.050 -0.178 0.000 0.776 463 N CB 1.528 39.615 38.487 -0.666 0.000 1.501 463 N HN 0.193 nan 8.380 nan 0.000 0.474 464 S N 0.932 116.636 115.700 0.006 0.000 2.483 464 S HA -0.023 4.487 4.470 0.066 0.000 0.221 464 S C 1.581 176.194 174.600 0.022 0.000 1.030 464 S CA 0.088 58.292 58.200 0.006 0.000 0.925 464 S CB -0.801 62.415 63.200 0.026 0.000 0.795 464 S HN 0.718 nan 8.310 nan 0.000 0.511 465 I N -0.627 119.966 120.570 0.038 0.000 2.830 465 I HA 0.190 4.399 4.170 0.066 0.000 0.263 465 I C 1.262 177.411 176.117 0.054 0.000 1.230 465 I CA 1.287 62.620 61.300 0.056 0.000 1.480 465 I CB -0.410 37.645 38.000 0.091 0.000 1.095 465 I HN 0.180 nan 8.210 nan 0.000 0.455 466 N N 1.257 119.983 118.700 0.044 0.000 2.351 466 N HA 0.040 4.820 4.740 0.066 0.000 0.254 466 N C -0.066 175.545 175.510 0.169 0.000 1.241 466 N CA -0.076 53.041 53.050 0.112 0.000 0.883 466 N CB -0.046 38.519 38.487 0.130 0.000 1.202 466 N HN 0.188 nan 8.380 nan 0.000 0.512 467 D N 0.827 121.275 120.400 0.080 0.000 2.737 467 D HA -0.264 4.416 4.640 0.066 0.000 0.233 467 D C -0.013 176.168 176.300 -0.199 0.000 1.155 467 D CA 1.083 55.090 54.000 0.012 0.000 0.667 467 D CB -1.281 39.606 40.800 0.145 0.000 1.060 467 D HN 0.505 nan 8.370 nan 0.000 0.427 468 N N -1.760 116.855 118.700 -0.141 0.000 2.828 468 N HA -0.250 4.530 4.740 0.066 0.000 0.248 468 N C -0.762 174.645 175.510 -0.172 0.000 1.044 468 N CA 1.407 54.340 53.050 -0.196 0.000 0.851 468 N CB -1.324 37.004 38.487 -0.265 0.000 1.136 468 N HN 0.531 nan 8.380 nan 0.000 0.572 469 W N 1.177 122.521 121.300 0.073 0.000 2.313 469 W HA 0.420 5.119 4.660 0.064 0.000 0.328 469 W C -1.608 174.935 176.519 0.040 0.000 1.197 469 W CA -1.560 55.809 57.345 0.040 0.000 1.235 469 W CB 0.458 29.895 29.460 -0.039 0.000 1.158 469 W HN -0.028 nan 8.180 nan 0.000 0.578 470 P HA 0.182 nan 4.420 nan 0.000 0.275 470 P C -0.744 176.680 177.300 0.206 0.000 1.228 470 P CA -0.125 63.100 63.100 0.209 0.000 0.786 470 P CB 0.948 32.610 31.700 -0.062 0.000 0.927 471 R N 1.214 121.822 120.500 0.179 0.000 2.532 471 R HA 0.315 4.694 4.340 0.066 0.000 0.295 471 R C 0.300 176.634 176.300 0.057 0.000 0.968 471 R CA -0.851 55.239 56.100 -0.017 0.000 0.916 471 R CB 1.151 31.230 30.300 -0.368 0.000 1.124 471 R HN 0.491 nan 8.270 nan 0.000 0.463 472 E N 0.978 121.204 120.200 0.043 0.000 2.508 472 E HA -0.040 4.350 4.350 0.066 0.000 0.266 472 E C -0.516 176.107 176.600 0.039 0.000 1.010 472 E CA 0.884 57.315 56.400 0.052 0.000 0.955 472 E CB 0.535 30.255 29.700 0.033 0.000 0.946 472 E HN 0.373 nan 8.360 nan 0.000 0.454 473 T N 3.931 118.519 114.554 0.056 0.000 2.841 473 T HA 0.339 4.728 4.350 0.066 0.000 0.285 473 T C -2.429 172.295 174.700 0.040 0.000 0.991 473 T CA -1.552 60.579 62.100 0.051 0.000 0.966 473 T CB 1.544 70.455 68.868 0.071 0.000 0.962 473 T HN 0.235 nan 8.240 nan 0.000 0.438 474 P HA 0.194 nan 4.420 nan 0.000 0.268 474 P C -2.387 174.919 177.300 0.010 0.000 1.208 474 P CA -1.050 62.058 63.100 0.013 0.000 0.777 474 P CB -0.266 31.438 31.700 0.005 0.000 0.875 475 P HA 0.302 nan 4.420 nan 0.000 0.272 475 P C -0.018 177.270 177.300 -0.020 0.000 1.230 475 P CA 0.295 63.380 63.100 -0.025 0.000 0.788 475 P CB 0.885 32.550 31.700 -0.059 0.000 0.949 476 G N 0.700 109.486 108.800 -0.023 0.000 2.348 476 G HA2 0.297 4.297 3.960 0.066 0.000 0.296 476 G HA3 0.297 4.297 3.960 0.066 0.000 0.296 476 G C -2.561 172.328 174.900 -0.019 0.000 1.258 476 G CA -0.583 44.506 45.100 -0.019 0.000 0.868 476 G HN 0.113 nan 8.290 nan 0.000 0.488 477 P HA 0.145 nan 4.420 nan 0.000 0.218 477 P C 0.190 177.486 177.300 -0.007 0.000 1.149 477 P CA 1.203 64.295 63.100 -0.014 0.000 0.817 477 P CB 0.127 31.821 31.700 -0.009 0.000 0.785 478 K N -2.220 118.182 120.400 0.004 0.000 2.551 478 K HA 0.387 4.746 4.320 0.066 0.000 0.269 478 K C -0.291 176.325 176.600 0.027 0.000 0.949 478 K CA -0.911 55.385 56.287 0.016 0.000 0.849 478 K CB 1.791 34.302 32.500 0.018 0.000 1.411 478 K HN -0.360 nan 8.250 nan 0.000 0.432 479 R N -0.597 119.926 120.500 0.040 0.000 3.741 479 R HA -0.162 4.218 4.340 0.066 0.000 0.292 479 R C 0.048 176.378 176.300 0.050 0.000 1.176 479 R CA 1.074 57.205 56.100 0.050 0.000 0.794 479 R CB -2.297 28.032 30.300 0.049 0.000 1.213 479 R HN 0.934 nan 8.270 nan 0.000 0.494 480 G N -0.776 108.048 108.800 0.040 0.000 2.511 480 G HA2 0.602 4.602 3.960 0.066 0.000 0.316 480 G HA3 0.602 4.602 3.960 0.066 0.000 0.316 480 G C 0.329 175.263 174.900 0.056 0.000 1.210 480 G CA 0.047 45.169 45.100 0.037 0.000 0.969 480 G HN 0.245 nan 8.290 nan 0.000 0.492 481 G N -1.341 107.493 108.800 0.056 0.000 2.569 481 G HA2 0.389 4.388 3.960 0.066 0.000 0.249 481 G HA3 0.389 4.388 3.960 0.066 0.000 0.249 481 G C -0.625 174.330 174.900 0.091 0.000 1.216 481 G CA -0.503 44.652 45.100 0.092 0.000 0.845 481 G HN 0.444 nan 8.290 nan 0.000 0.568 482 F N 0.634 120.600 119.950 0.026 0.000 2.467 482 F HA 0.372 4.941 4.527 0.070 0.000 0.362 482 F C 0.570 176.384 175.800 0.024 0.000 1.090 482 F CA -0.223 57.788 58.000 0.019 0.000 1.202 482 F CB 0.822 39.836 39.000 0.024 0.000 1.113 482 F HN 0.476 nan 8.300 nan 0.000 0.541 483 E N 4.124 123.941 120.200 -0.638 0.000 2.272 483 E HA 0.336 4.725 4.350 0.066 0.000 0.269 483 E C -1.151 175.097 176.600 -0.587 0.000 0.877 483 E CA -0.841 55.343 56.400 -0.361 0.000 0.755 483 E CB 1.673 31.259 29.700 -0.190 0.000 1.192 483 E HN 0.599 nan 8.360 nan 0.000 0.422 484 S N 2.416 118.009 115.700 -0.178 0.000 2.564 484 S HA 0.019 4.528 4.470 0.066 0.000 0.278 484 S C -0.631 173.946 174.600 -0.038 0.000 1.333 484 S CA -0.354 57.828 58.200 -0.030 0.000 1.048 484 S CB 0.122 63.429 63.200 0.178 0.000 0.900 484 S HN 0.470 nan 8.310 nan 0.000 0.505 485 Y N 2.686 122.916 120.300 -0.116 0.000 2.620 485 Y HA -0.023 4.566 4.550 0.065 0.000 0.330 485 Y C 0.871 176.750 175.900 -0.036 0.000 1.186 485 Y CA 0.222 58.267 58.100 -0.092 0.000 1.467 485 Y CB 0.213 38.615 38.460 -0.098 0.000 1.262 485 Y HN 0.585 nan 8.280 nan 0.000 0.550 486 Q N 5.303 124.723 119.800 -0.633 0.000 3.254 486 Q HA 0.007 4.386 4.340 0.066 0.000 0.315 486 Q C -0.229 175.461 176.000 -0.518 0.000 1.405 486 Q CA -0.015 55.523 55.803 -0.442 0.000 0.966 486 Q CB -0.221 28.328 28.738 -0.314 0.000 1.706 486 Q HN 0.648 nan 8.270 nan 0.000 0.525 487 E N 1.390 121.383 120.200 -0.344 0.000 2.413 487 E HA 0.004 4.394 4.350 0.066 0.000 0.263 487 E C -0.212 176.356 176.600 -0.054 0.000 1.015 487 E CA -0.451 55.878 56.400 -0.118 0.000 0.916 487 E CB 0.653 30.429 29.700 0.127 0.000 0.947 487 E HN 0.137 nan 8.360 nan 0.000 0.440 488 R N 2.942 123.436 120.500 -0.011 0.000 2.389 488 R HA 0.215 4.595 4.340 0.066 0.000 0.295 488 R C -1.477 174.848 176.300 0.042 0.000 1.075 488 R CA -0.208 55.896 56.100 0.008 0.000 1.005 488 R CB 0.852 31.163 30.300 0.018 0.000 0.987 488 R HN 0.288 nan 8.270 nan 0.000 0.452 489 V N 4.946 124.878 119.914 0.029 0.000 2.448 489 V HA 0.417 4.577 4.120 0.066 0.000 0.295 489 V C -0.560 175.549 176.094 0.025 0.000 1.025 489 V CA -0.568 61.754 62.300 0.036 0.000 0.859 489 V CB 1.598 33.438 31.823 0.030 0.000 0.988 489 V HN 0.833 nan 8.190 nan 0.000 0.431 490 E N 2.831 123.048 120.200 0.029 0.000 2.294 490 E HA 0.700 5.090 4.350 0.066 0.000 0.272 490 E C -0.153 176.455 176.600 0.014 0.000 0.896 490 E CA -0.419 55.991 56.400 0.017 0.000 0.802 490 E CB 2.326 32.036 29.700 0.017 0.000 1.267 490 E HN 0.976 nan 8.360 nan 0.000 0.406 491 G N 2.354 111.157 108.800 0.005 0.000 2.338 491 G HA2 0.165 4.165 3.960 0.066 0.000 0.295 491 G HA3 0.165 4.165 3.960 0.066 0.000 0.295 491 G C -1.485 173.411 174.900 -0.006 0.000 1.461 491 G CA -1.027 44.072 45.100 -0.001 0.000 0.817 491 G HN 0.358 nan 8.290 nan 0.000 0.556 492 N N 0.058 118.751 118.700 -0.012 0.000 2.495 492 N HA 0.419 5.199 4.740 0.066 0.000 0.280 492 N C -0.174 175.325 175.510 -0.019 0.000 1.168 492 N CA -0.564 52.478 53.050 -0.014 0.000 0.978 492 N CB 1.016 39.494 38.487 -0.016 0.000 1.191 492 N HN 0.412 nan 8.380 nan 0.000 0.497 493 K N 1.112 121.501 120.400 -0.020 0.000 2.361 493 K HA 0.140 4.499 4.320 0.066 0.000 0.283 493 K C -0.675 175.905 176.600 -0.033 0.000 1.078 493 K CA -0.073 56.199 56.287 -0.026 0.000 1.041 493 K CB -0.381 32.105 32.500 -0.024 0.000 0.932 493 K HN 0.358 nan 8.250 nan 0.000 0.462 494 V N 0.306 120.196 119.914 -0.040 0.000 2.925 494 V HA 0.476 4.636 4.120 0.066 0.000 0.311 494 V C -0.517 175.539 176.094 -0.063 0.000 1.104 494 V CA -1.332 60.939 62.300 -0.047 0.000 0.954 494 V CB 2.049 33.846 31.823 -0.044 0.000 1.022 494 V HN 0.607 nan 8.190 nan 0.000 0.427 495 R N 2.406 122.864 120.500 -0.070 0.000 2.522 495 R HA 0.595 4.974 4.340 0.066 0.000 0.290 495 R C -0.524 175.729 176.300 -0.078 0.000 1.216 495 R CA -0.140 55.906 56.100 -0.089 0.000 1.250 495 R CB 0.827 31.060 30.300 -0.111 0.000 1.143 495 R HN 0.936 nan 8.270 nan 0.000 0.553 496 E N 1.976 122.127 120.200 -0.081 0.000 2.304 496 E HA 0.221 4.610 4.350 0.066 0.000 0.277 496 E C -1.247 175.287 176.600 -0.111 0.000 0.898 496 E CA -1.029 55.325 56.400 -0.076 0.000 0.764 496 E CB 1.624 31.286 29.700 -0.064 0.000 1.216 496 E HN 0.121 nan 8.360 nan 0.000 0.419 497 R N 1.849 122.286 120.500 -0.104 0.000 2.389 497 R HA 0.177 4.556 4.340 0.066 0.000 0.295 497 R C -0.491 175.692 176.300 -0.196 0.000 1.075 497 R CA 0.142 56.142 56.100 -0.168 0.000 1.005 497 R CB 1.016 31.276 30.300 -0.067 0.000 0.987 497 R HN 0.396 nan 8.270 nan 0.000 0.452 498 S N 5.346 120.816 115.700 -0.384 0.000 2.563 498 S HA 0.052 4.561 4.470 0.066 0.000 0.294 498 S C -1.462 173.111 174.600 -0.046 0.000 1.279 498 S CA -1.109 56.949 58.200 -0.237 0.000 1.069 498 S CB 0.555 63.554 63.200 -0.334 0.000 0.828 498 S HN 0.544 nan 8.310 nan 0.000 0.497 499 P HA -0.118 nan 4.420 nan 0.000 0.217 499 P C 1.484 178.841 177.300 0.096 0.000 1.148 499 P CA 1.356 64.483 63.100 0.044 0.000 0.828 499 P CB -0.138 31.578 31.700 0.026 0.000 0.783 500 S N -2.328 113.470 115.700 0.164 0.000 2.507 500 S HA -0.084 4.425 4.470 0.066 0.000 0.235 500 S C 1.407 176.167 174.600 0.268 0.000 0.988 500 S CA 0.698 59.020 58.200 0.204 0.000 0.944 500 S CB -1.315 62.039 63.200 0.257 0.000 0.762 500 S HN -0.022 nan 8.310 nan 0.000 0.526 501 F N 2.221 122.161 119.950 -0.017 0.000 2.789 501 F HA 0.384 4.950 4.527 0.066 0.000 0.300 501 F C 1.966 177.694 175.800 -0.120 0.000 1.132 501 F CA -0.815 57.171 58.000 -0.024 0.000 1.404 501 F CB -0.550 38.470 39.000 0.033 0.000 1.114 501 F HN 0.355 nan 8.300 nan 0.000 0.584 502 G N 0.366 109.158 108.800 -0.013 0.000 3.574 502 G HA2 0.090 4.089 3.960 0.066 0.000 0.262 502 G HA3 0.090 4.089 3.960 0.066 0.000 0.262 502 G C -0.030 174.420 174.900 -0.749 0.000 1.231 502 G CA 0.101 45.007 45.100 -0.324 0.000 1.608 502 G HN 0.042 nan 8.290 nan 0.000 0.628 503 E N 0.022 119.716 120.200 -0.844 0.000 2.275 503 E HA 0.367 4.756 4.350 0.066 0.000 0.270 503 E C -0.885 175.274 176.600 -0.736 0.000 0.882 503 E CA -0.775 55.203 56.400 -0.703 0.000 0.758 503 E CB 1.648 31.193 29.700 -0.258 0.000 1.195 503 E HN 0.202 nan 8.360 nan 0.000 0.419 504 Y N 2.436 122.520 120.300 -0.360 0.000 2.448 504 Y HA 0.192 4.782 4.550 0.066 0.000 0.257 504 Y C 0.763 176.380 175.900 -0.472 0.000 1.089 504 Y CA -0.130 57.665 58.100 -0.508 0.000 1.245 504 Y CB 0.396 38.425 38.460 -0.718 0.000 1.282 504 Y HN 0.419 nan 8.280 nan 0.000 0.529 505 Y N -1.713 118.679 120.300 0.152 0.000 2.535 505 Y HA 0.156 4.746 4.550 0.067 0.000 0.266 505 Y C 2.245 178.211 175.900 0.110 0.000 1.088 505 Y CA 0.248 58.430 58.100 0.138 0.000 1.285 505 Y CB -0.236 38.309 38.460 0.141 0.000 1.166 505 Y HN -0.130 nan 8.280 nan 0.000 0.525 506 S N -0.674 115.163 115.700 0.228 0.000 2.383 506 S HA -0.161 4.348 4.470 0.066 0.000 0.227 506 S C 1.612 176.294 174.600 0.136 0.000 1.026 506 S CA 1.314 59.629 58.200 0.193 0.000 0.981 506 S CB -0.366 62.952 63.200 0.196 0.000 0.818 506 S HN 0.576 nan 8.310 nan 0.000 0.472 507 H N 0.560 119.548 119.070 -0.137 0.000 2.403 507 H HA 0.042 4.638 4.556 0.066 0.000 0.298 507 H C -0.665 174.452 175.328 -0.352 0.000 1.059 507 H CA 0.711 56.531 56.048 -0.381 0.000 1.363 507 H CB -1.026 28.281 29.762 -0.759 0.000 1.410 507 H HN 0.310 nan 8.280 nan 0.000 0.528 508 P HA -0.161 nan 4.420 nan 0.000 0.215 508 P C 1.655 179.143 177.300 0.313 0.000 1.153 508 P CA 1.394 64.644 63.100 0.251 0.000 0.853 508 P CB -0.078 31.800 31.700 0.296 0.000 0.788 509 R N -0.408 120.230 120.500 0.230 0.000 2.070 509 R HA -0.148 4.231 4.340 0.066 0.000 0.233 509 R C 2.163 178.597 176.300 0.224 0.000 1.137 509 R CA 1.315 57.556 56.100 0.236 0.000 0.945 509 R CB -1.196 29.203 30.300 0.166 0.000 0.845 509 R HN 0.026 nan 8.270 nan 0.000 0.430 510 L N 0.566 121.858 121.223 0.115 0.000 2.013 510 L HA -0.196 4.184 4.340 0.066 0.000 0.212 510 L C 2.029 178.955 176.870 0.094 0.000 1.073 510 L CA 1.883 56.752 54.840 0.049 0.000 0.753 510 L CB -0.864 41.147 42.059 -0.080 0.000 0.890 510 L HN 0.274 nan 8.230 nan 0.000 0.432 511 F N -0.749 119.217 119.950 0.027 0.000 2.095 511 F HA -0.302 4.265 4.527 0.067 0.000 0.298 511 F C 2.362 178.160 175.800 -0.004 0.000 1.104 511 F CA 2.292 60.286 58.000 -0.010 0.000 1.232 511 F CB -0.667 38.356 39.000 0.038 0.000 0.987 511 F HN 0.413 nan 8.300 nan 0.000 0.475 512 W N 1.322 122.648 121.300 0.042 0.000 2.318 512 W HA -0.262 4.437 4.660 0.066 0.000 0.313 512 W C 1.764 178.180 176.519 -0.172 0.000 1.221 512 W CA 1.864 59.179 57.345 -0.050 0.000 1.266 512 W CB -0.759 28.743 29.460 0.070 0.000 1.150 512 W HN 0.089 nan 8.180 nan 0.000 0.496 513 L N 1.047 122.203 121.223 -0.112 0.000 2.362 513 L HA -0.151 4.229 4.340 0.066 0.000 0.219 513 L C 2.344 179.022 176.870 -0.321 0.000 1.134 513 L CA 1.021 55.720 54.840 -0.236 0.000 0.807 513 L CB -0.618 41.422 42.059 -0.032 0.000 0.927 513 L HN -0.130 nan 8.230 nan 0.000 0.447 514 S N -1.545 113.944 115.700 -0.352 0.000 2.558 514 S HA 0.062 4.571 4.470 0.066 0.000 0.217 514 S C 0.728 175.039 174.600 -0.483 0.000 0.975 514 S CA 0.028 58.017 58.200 -0.353 0.000 0.912 514 S CB 0.091 63.105 63.200 -0.308 0.000 0.776 514 S HN 0.285 nan 8.310 nan 0.000 0.526 515 Q N 2.156 121.569 119.800 -0.645 0.000 2.260 515 Q HA 0.286 4.666 4.340 0.066 0.000 0.242 515 Q C 0.602 176.208 176.000 -0.658 0.000 0.932 515 Q CA -0.085 55.296 55.803 -0.703 0.000 0.891 515 Q CB 0.457 28.713 28.738 -0.803 0.000 1.222 515 Q HN 0.420 nan 8.270 nan 0.000 0.453 516 T N -1.934 112.181 114.554 -0.731 0.000 2.766 516 T HA 0.169 4.559 4.350 0.066 0.000 0.295 516 T C -1.760 172.465 174.700 -0.792 0.000 1.024 516 T CA -1.343 60.288 62.100 -0.782 0.000 1.018 516 T CB 0.303 68.453 68.868 -1.198 0.000 1.002 516 T HN 0.223 nan 8.240 nan 0.000 0.532 517 P HA -0.019 nan 4.420 nan 0.000 0.216 517 P C 1.367 178.438 177.300 -0.381 0.000 1.150 517 P CA 0.979 63.849 63.100 -0.385 0.000 0.837 517 P CB -0.251 31.344 31.700 -0.175 0.000 0.786 518 F N -0.180 119.575 119.950 -0.325 0.000 2.259 518 F HA 0.043 4.610 4.527 0.066 0.000 0.298 518 F C 1.819 177.252 175.800 -0.612 0.000 1.088 518 F CA 0.824 58.571 58.000 -0.423 0.000 1.358 518 F CB -1.631 37.108 39.000 -0.434 0.000 1.040 518 F HN -0.102 nan 8.300 nan 0.000 0.505 519 E N 0.594 120.204 120.200 -0.983 0.000 2.106 519 E HA -0.201 4.188 4.350 0.066 0.000 0.192 519 E C 2.208 178.606 176.600 -0.336 0.000 0.984 519 E CA 1.369 57.421 56.400 -0.581 0.000 0.806 519 E CB -0.290 29.031 29.700 -0.631 0.000 0.750 519 E HN 0.625 nan 8.360 nan 0.000 0.458 520 Q N 0.366 119.889 119.800 -0.461 0.000 2.084 520 Q HA -0.176 4.204 4.340 0.066 0.000 0.202 520 Q C 2.303 178.332 176.000 0.048 0.000 0.978 520 Q CA 1.059 56.636 55.803 -0.376 0.000 0.844 520 Q CB -0.192 28.061 28.738 -0.810 0.000 0.898 520 Q HN 0.146 nan 8.270 nan 0.000 0.426 521 R N 0.315 120.814 120.500 -0.001 0.000 2.096 521 R HA -0.167 4.212 4.340 0.066 0.000 0.235 521 R C 1.645 178.135 176.300 0.317 0.000 1.127 521 R CA 1.547 57.747 56.100 0.166 0.000 0.968 521 R CB -0.146 30.236 30.300 0.136 0.000 0.861 521 R HN 0.511 nan 8.270 nan 0.000 0.440 522 H N -0.467 118.696 119.070 0.155 0.000 2.428 522 H HA -0.024 4.571 4.556 0.066 0.000 0.296 522 H C 2.188 177.635 175.328 0.199 0.000 1.062 522 H CA 1.107 57.263 56.048 0.181 0.000 1.350 522 H CB 0.130 30.003 29.762 0.185 0.000 1.403 522 H HN 0.208 nan 8.280 nan 0.000 0.533 523 I N 0.207 120.996 120.570 0.366 0.000 2.202 523 I HA -0.247 3.962 4.170 0.066 0.000 0.242 523 I C 2.311 178.722 176.117 0.490 0.000 1.091 523 I CA 0.716 62.267 61.300 0.418 0.000 1.368 523 I CB -0.127 38.215 38.000 0.571 0.000 1.058 523 I HN 0.069 nan 8.210 nan 0.000 0.410 524 V N 0.952 121.151 119.914 0.475 0.000 2.282 524 V HA -0.349 3.810 4.120 0.066 0.000 0.249 524 V C 2.070 178.345 176.094 0.302 0.000 1.057 524 V CA 2.190 64.713 62.300 0.371 0.000 1.032 524 V CB -0.674 31.326 31.823 0.294 0.000 0.645 524 V HN 0.425 nan 8.190 nan 0.000 0.447 525 D N 0.222 120.782 120.400 0.268 0.000 2.144 525 D HA -0.088 4.591 4.640 0.066 0.000 0.199 525 D C 2.158 178.550 176.300 0.153 0.000 0.984 525 D CA 1.509 55.635 54.000 0.210 0.000 0.834 525 D CB -0.588 40.337 40.800 0.209 0.000 0.955 525 D HN 0.478 nan 8.370 nan 0.000 0.465 526 G N 0.076 108.944 108.800 0.114 0.000 2.433 526 G HA2 -0.252 3.748 3.960 0.066 0.000 0.216 526 G HA3 -0.252 3.748 3.960 0.066 0.000 0.216 526 G C 1.460 176.375 174.900 0.024 0.000 1.186 526 G CA 0.218 45.294 45.100 -0.041 0.000 0.779 526 G HN 0.159 nan 8.290 nan 0.000 0.543 527 F N 1.856 121.853 119.950 0.080 0.000 2.091 527 F HA -0.123 4.443 4.527 0.066 0.000 0.299 527 F C 3.190 178.909 175.800 -0.135 0.000 1.103 527 F CA 1.678 59.656 58.000 -0.037 0.000 1.228 527 F CB -0.481 38.502 39.000 -0.027 0.000 0.984 527 F HN 0.091 nan 8.300 nan 0.000 0.477 528 S N -0.167 115.636 115.700 0.170 0.000 2.356 528 S HA -0.220 4.289 4.470 0.066 0.000 0.223 528 S C 1.888 176.504 174.600 0.027 0.000 1.032 528 S CA 1.353 59.594 58.200 0.068 0.000 1.005 528 S CB -0.842 62.423 63.200 0.109 0.000 0.867 528 S HN 0.395 nan 8.310 nan 0.000 0.449 529 F N 2.563 122.483 119.950 -0.050 0.000 2.095 529 F HA -0.142 4.425 4.527 0.066 0.000 0.298 529 F C 2.372 178.118 175.800 -0.091 0.000 1.104 529 F CA 1.619 59.580 58.000 -0.066 0.000 1.232 529 F CB -0.295 38.609 39.000 -0.160 0.000 0.987 529 F HN 0.154 nan 8.300 nan 0.000 0.475 530 E N 0.485 120.651 120.200 -0.056 0.000 2.051 530 E HA -0.206 4.183 4.350 0.066 0.000 0.192 530 E C 2.342 178.750 176.600 -0.321 0.000 0.991 530 E CA 1.641 57.985 56.400 -0.094 0.000 0.799 530 E CB -0.495 29.309 29.700 0.173 0.000 0.748 530 E HN 0.479 nan 8.360 nan 0.000 0.449 531 L N 1.341 122.291 121.223 -0.454 0.000 2.291 531 L HA -0.103 4.276 4.340 0.066 0.000 0.214 531 L C 2.667 179.369 176.870 -0.280 0.000 1.120 531 L CA 0.916 55.462 54.840 -0.490 0.000 0.799 531 L CB -0.404 41.377 42.059 -0.463 0.000 0.925 531 L HN 0.135 nan 8.230 nan 0.000 0.446 532 S N -0.663 114.884 115.700 -0.254 0.000 2.447 532 S HA -0.096 4.414 4.470 0.066 0.000 0.233 532 S C 1.747 176.231 174.600 -0.192 0.000 1.006 532 S CA 0.535 58.615 58.200 -0.201 0.000 0.957 532 S CB -0.088 62.996 63.200 -0.193 0.000 0.773 532 S HN 0.274 nan 8.310 nan 0.000 0.507 533 K N 1.332 121.595 120.400 -0.229 0.000 2.426 533 K HA 0.322 4.682 4.320 0.066 0.000 0.193 533 K C 0.041 176.637 176.600 -0.006 0.000 1.028 533 K CA -0.033 56.184 56.287 -0.116 0.000 1.047 533 K CB -0.293 32.135 32.500 -0.120 0.000 0.821 533 K HN 0.331 nan 8.250 nan 0.000 0.513 534 V N 2.512 122.402 119.914 -0.041 0.000 2.415 534 V HA -0.025 4.134 4.120 0.066 0.000 0.267 534 V C 1.796 177.876 176.094 -0.024 0.000 1.042 534 V CA -0.019 62.280 62.300 -0.001 0.000 1.000 534 V CB 0.941 32.727 31.823 -0.061 0.000 1.015 534 V HN -0.112 nan 8.190 nan 0.000 0.478 535 V N 5.239 125.162 119.914 0.014 0.000 2.453 535 V HA -0.070 4.090 4.120 0.066 0.000 0.247 535 V C 1.377 177.455 176.094 -0.027 0.000 1.048 535 V CA 1.317 63.621 62.300 0.005 0.000 1.049 535 V CB -0.465 31.379 31.823 0.034 0.000 0.672 535 V HN 0.765 nan 8.190 nan 0.000 0.457 536 R N 0.799 121.257 120.500 -0.070 0.000 2.248 536 R HA 0.165 4.545 4.340 0.066 0.000 0.337 536 R C -1.755 174.418 176.300 -0.213 0.000 1.085 536 R CA -1.304 54.719 56.100 -0.128 0.000 0.934 536 R CB 0.598 30.748 30.300 -0.251 0.000 1.034 536 R HN 0.253 nan 8.270 nan 0.000 0.465 537 P HA -0.192 nan 4.420 nan 0.000 0.218 537 P C 0.717 177.967 177.300 -0.083 0.000 1.149 537 P CA 1.064 64.126 63.100 -0.065 0.000 0.817 537 P CB 0.032 31.736 31.700 0.007 0.000 0.785 538 Y N -1.307 118.992 120.300 -0.001 0.000 2.315 538 Y HA -0.129 4.461 4.550 0.066 0.000 0.288 538 Y C 1.857 177.762 175.900 0.008 0.000 1.154 538 Y CA 0.829 58.930 58.100 0.001 0.000 1.229 538 Y CB -1.798 36.663 38.460 0.002 0.000 0.980 538 Y HN -0.082 nan 8.280 nan 0.000 0.540 539 I N 0.771 120.915 120.570 -0.709 0.000 2.252 539 I HA -0.226 3.983 4.170 0.066 0.000 0.245 539 I C 2.511 178.539 176.117 -0.148 0.000 1.102 539 I CA 1.235 62.308 61.300 -0.379 0.000 1.385 539 I CB -0.357 37.417 38.000 -0.377 0.000 1.064 539 I HN 0.196 nan 8.210 nan 0.000 0.414 540 R N 0.791 121.191 120.500 -0.167 0.000 2.091 540 R HA -0.194 4.186 4.340 0.066 0.000 0.238 540 R C 2.119 178.366 176.300 -0.088 0.000 1.136 540 R CA 1.525 57.540 56.100 -0.141 0.000 0.959 540 R CB -0.426 29.790 30.300 -0.140 0.000 0.856 540 R HN 0.442 nan 8.270 nan 0.000 0.437 541 E N 0.445 120.616 120.200 -0.049 0.000 2.077 541 E HA -0.174 4.216 4.350 0.066 0.000 0.193 541 E C 2.155 178.758 176.600 0.005 0.000 0.989 541 E CA 1.141 57.533 56.400 -0.013 0.000 0.800 541 E CB -0.012 29.705 29.700 0.029 0.000 0.746 541 E HN 0.269 nan 8.360 nan 0.000 0.452 542 R N 0.205 120.724 120.500 0.032 0.000 2.092 542 R HA -0.095 4.284 4.340 0.066 0.000 0.231 542 R C 2.397 178.721 176.300 0.041 0.000 1.119 542 R CA 0.984 57.116 56.100 0.053 0.000 0.970 542 R CB -0.236 30.117 30.300 0.089 0.000 0.864 542 R HN 0.050 nan 8.270 nan 0.000 0.440 543 V N 0.310 120.243 119.914 0.031 0.000 2.343 543 V HA -0.211 3.949 4.120 0.066 0.000 0.247 543 V C 2.265 178.336 176.094 -0.038 0.000 1.051 543 V CA 1.548 63.876 62.300 0.046 0.000 1.036 543 V CB -0.314 31.554 31.823 0.075 0.000 0.654 543 V HN 0.130 nan 8.190 nan 0.000 0.451 544 V N 0.490 120.356 119.914 -0.080 0.000 2.343 544 V HA -0.318 3.842 4.120 0.066 0.000 0.247 544 V C 2.295 178.344 176.094 -0.075 0.000 1.051 544 V CA 2.484 64.713 62.300 -0.118 0.000 1.036 544 V CB -0.688 31.072 31.823 -0.104 0.000 0.654 544 V HN 0.659 nan 8.190 nan 0.000 0.451 545 D N -0.606 119.784 120.400 -0.017 0.000 2.149 545 D HA -0.215 4.465 4.640 0.066 0.000 0.198 545 D C 2.261 178.636 176.300 0.125 0.000 0.990 545 D CA 1.447 55.471 54.000 0.040 0.000 0.839 545 D CB -0.027 40.815 40.800 0.069 0.000 0.948 545 D HN 0.544 nan 8.370 nan 0.000 0.460 546 Q N -0.345 119.503 119.800 0.080 0.000 2.050 546 Q HA -0.104 4.275 4.340 0.066 0.000 0.202 546 Q C 2.500 178.528 176.000 0.048 0.000 0.980 546 Q CA 0.916 56.779 55.803 0.100 0.000 0.840 546 Q CB -0.137 28.676 28.738 0.125 0.000 0.898 546 Q HN 0.391 nan 8.270 nan 0.000 0.424 547 L N 0.368 121.552 121.223 -0.065 0.000 2.127 547 L HA -0.192 4.188 4.340 0.066 0.000 0.211 547 L C 2.435 179.191 176.870 -0.191 0.000 1.089 547 L CA 0.873 55.599 54.840 -0.191 0.000 0.757 547 L CB -0.646 41.188 42.059 -0.375 0.000 0.899 547 L HN 0.229 nan 8.230 nan 0.000 0.434 548 A N -0.848 121.880 122.820 -0.153 0.000 2.125 548 A HA -0.205 4.154 4.320 0.066 0.000 0.219 548 A C 1.731 179.128 177.584 -0.312 0.000 1.156 548 A CA 1.318 53.226 52.037 -0.214 0.000 0.671 548 A CB -0.721 18.158 19.000 -0.201 0.000 0.794 548 A HN 0.462 nan 8.150 nan 0.000 0.459 549 H N -1.394 117.471 119.070 -0.342 0.000 2.548 549 H HA 0.282 4.877 4.556 0.066 0.000 0.265 549 H C 1.567 176.624 175.328 -0.452 0.000 0.969 549 H CA 0.883 56.596 56.048 -0.559 0.000 1.155 549 H CB 0.108 29.124 29.762 -1.244 0.000 1.394 549 H HN 0.503 nan 8.280 nan 0.000 0.570 550 I N -1.132 119.339 120.570 -0.164 0.000 2.681 550 I HA 0.075 4.284 4.170 0.066 0.000 0.247 550 I C -0.104 175.946 176.117 -0.112 0.000 1.091 550 I CA 0.498 61.772 61.300 -0.044 0.000 1.442 550 I CB 0.656 38.665 38.000 0.015 0.000 1.219 550 I HN 0.087 nan 8.210 nan 0.000 0.451 551 D N -1.116 119.142 120.400 -0.236 0.000 2.931 551 D HA 0.235 4.914 4.640 0.066 0.000 0.215 551 D C 0.112 176.247 176.300 -0.274 0.000 1.297 551 D CA -0.410 53.433 54.000 -0.262 0.000 0.892 551 D CB 1.401 41.904 40.800 -0.495 0.000 1.642 551 D HN -0.213 nan 8.370 nan 0.000 0.560 552 L N 2.405 123.526 121.223 -0.169 0.000 2.156 552 L HA 0.033 4.413 4.340 0.066 0.000 0.208 552 L C 2.209 178.997 176.870 -0.137 0.000 1.095 552 L CA 1.589 56.339 54.840 -0.150 0.000 0.770 552 L CB -1.199 40.799 42.059 -0.101 0.000 0.914 552 L HN 0.631 nan 8.230 nan 0.000 0.439 553 T N -0.031 114.469 114.554 -0.091 0.000 2.708 553 T HA -0.203 4.187 4.350 0.066 0.000 0.266 553 T C 1.888 176.524 174.700 -0.107 0.000 1.037 553 T CA 1.498 63.587 62.100 -0.019 0.000 1.146 553 T CB -0.365 68.590 68.868 0.145 0.000 0.865 553 T HN 0.192 nan 8.240 nan 0.000 0.435 554 L N 1.624 122.609 121.223 -0.397 0.000 2.017 554 L HA 0.053 4.433 4.340 0.066 0.000 0.208 554 L C 2.594 179.230 176.870 -0.391 0.000 1.073 554 L CA 2.062 56.503 54.840 -0.665 0.000 0.745 554 L CB -1.151 40.092 42.059 -1.361 0.000 0.894 554 L HN 0.214 nan 8.230 nan 0.000 0.432 555 A N -1.105 121.505 122.820 -0.350 0.000 1.902 555 A HA -0.253 4.106 4.320 0.066 0.000 0.217 555 A C 2.230 179.709 177.584 -0.175 0.000 1.181 555 A CA 1.801 53.677 52.037 -0.267 0.000 0.623 555 A CB -0.663 18.198 19.000 -0.233 0.000 0.818 555 A HN 0.666 nan 8.150 nan 0.000 0.443 556 Q N -0.749 118.974 119.800 -0.130 0.000 2.096 556 Q HA -0.140 4.239 4.340 0.066 0.000 0.204 556 Q C 2.396 178.365 176.000 -0.052 0.000 0.982 556 Q CA 1.510 57.267 55.803 -0.076 0.000 0.850 556 Q CB -0.368 28.341 28.738 -0.048 0.000 0.901 556 Q HN 0.705 nan 8.270 nan 0.000 0.422 557 A N -0.007 122.787 122.820 -0.043 0.000 1.898 557 A HA -0.115 4.244 4.320 0.066 0.000 0.216 557 A C 2.286 179.868 177.584 -0.003 0.000 1.181 557 A CA 1.179 53.219 52.037 0.005 0.000 0.620 557 A CB -0.570 18.467 19.000 0.062 0.000 0.819 557 A HN 0.213 nan 8.150 nan 0.000 0.442 558 V N 0.068 119.950 119.914 -0.054 0.000 2.295 558 V HA -0.266 3.894 4.120 0.066 0.000 0.246 558 V C 3.054 179.111 176.094 -0.062 0.000 1.049 558 V CA 1.980 64.244 62.300 -0.060 0.000 1.024 558 V CB -1.368 30.363 31.823 -0.154 0.000 0.648 558 V HN 0.602 nan 8.190 nan 0.000 0.447 559 A N -0.308 122.465 122.820 -0.079 0.000 1.902 559 A HA -0.283 4.076 4.320 0.066 0.000 0.217 559 A C 2.353 179.915 177.584 -0.036 0.000 1.181 559 A CA 2.257 54.255 52.037 -0.064 0.000 0.623 559 A CB -0.544 18.416 19.000 -0.067 0.000 0.818 559 A HN 0.521 nan 8.150 nan 0.000 0.443 560 K N -0.361 120.026 120.400 -0.022 0.000 2.044 560 K HA -0.211 4.149 4.320 0.066 0.000 0.210 560 K C 1.538 178.141 176.600 0.004 0.000 1.049 560 K CA 1.725 58.009 56.287 -0.004 0.000 0.927 560 K CB -0.228 32.277 32.500 0.009 0.000 0.713 560 K HN 0.442 nan 8.250 nan 0.000 0.443 561 N N 0.594 119.300 118.700 0.010 0.000 2.443 561 N HA -0.114 4.665 4.740 0.066 0.000 0.184 561 N C 1.265 176.776 175.510 0.001 0.000 1.037 561 N CA 0.883 53.945 53.050 0.020 0.000 0.896 561 N CB 0.082 38.594 38.487 0.043 0.000 0.959 561 N HN 0.276 nan 8.380 nan 0.000 0.442 562 L N -1.043 120.168 121.223 -0.020 0.000 2.693 562 L HA 0.269 4.648 4.340 0.066 0.000 0.235 562 L C 0.981 177.836 176.870 -0.026 0.000 1.127 562 L CA -0.072 54.747 54.840 -0.035 0.000 0.914 562 L CB 0.119 42.141 42.059 -0.062 0.000 1.193 562 L HN 0.059 nan 8.230 nan 0.000 0.502 563 G N 1.459 110.250 108.800 -0.016 0.000 2.176 563 G HA2 -0.281 3.719 3.960 0.066 0.000 0.252 563 G HA3 -0.281 3.719 3.960 0.066 0.000 0.252 563 G C 0.020 174.911 174.900 -0.015 0.000 1.024 563 G CA 0.066 45.160 45.100 -0.011 0.000 0.755 563 G HN 0.307 nan 8.290 nan 0.000 0.507 564 I N -0.118 120.439 120.570 -0.023 0.000 2.460 564 I HA 0.496 4.706 4.170 0.066 0.000 0.298 564 I C 0.247 176.348 176.117 -0.026 0.000 0.989 564 I CA -0.812 60.472 61.300 -0.026 0.000 1.173 564 I CB 1.911 39.888 38.000 -0.038 0.000 1.338 564 I HN 0.214 nan 8.210 nan 0.000 0.456 565 E N 6.360 126.546 120.200 -0.022 0.000 2.158 565 E HA 0.422 4.812 4.350 0.066 0.000 0.271 565 E C -1.113 175.470 176.600 -0.029 0.000 0.911 565 E CA -0.685 55.701 56.400 -0.023 0.000 0.767 565 E CB 1.188 30.878 29.700 -0.016 0.000 1.120 565 E HN 0.473 nan 8.360 nan 0.000 0.405 566 L N 4.117 125.318 121.223 -0.038 0.000 2.490 566 L HA 0.111 4.490 4.340 0.066 0.000 0.274 566 L C 1.015 177.863 176.870 -0.037 0.000 1.201 566 L CA -0.102 54.712 54.840 -0.045 0.000 0.869 566 L CB 0.260 42.284 42.059 -0.059 0.000 1.123 566 L HN 0.727 nan 8.230 nan 0.000 0.484 567 T N -1.894 112.638 114.554 -0.035 0.000 2.766 567 T HA 0.047 4.436 4.350 0.066 0.000 0.295 567 T C 0.785 175.463 174.700 -0.036 0.000 1.024 567 T CA -0.744 61.338 62.100 -0.029 0.000 1.018 567 T CB 1.024 69.878 68.868 -0.024 0.000 1.002 567 T HN 0.504 nan 8.240 nan 0.000 0.532 568 D N 0.466 120.849 120.400 -0.029 0.000 2.123 568 D HA -0.073 4.606 4.640 0.066 0.000 0.196 568 D C 1.753 178.029 176.300 -0.040 0.000 0.992 568 D CA 1.228 55.209 54.000 -0.032 0.000 0.833 568 D CB -0.380 40.407 40.800 -0.023 0.000 0.954 568 D HN 0.610 nan 8.370 nan 0.000 0.455 569 D N 0.395 120.773 120.400 -0.037 0.000 2.149 569 D HA -0.136 4.544 4.640 0.066 0.000 0.198 569 D C 2.061 178.316 176.300 -0.076 0.000 0.990 569 D CA 0.785 54.757 54.000 -0.046 0.000 0.839 569 D CB -0.274 40.507 40.800 -0.031 0.000 0.948 569 D HN 0.348 nan 8.370 nan 0.000 0.460 570 Q N -0.270 119.484 119.800 -0.077 0.000 2.119 570 Q HA -0.014 4.365 4.340 0.066 0.000 0.201 570 Q C 2.335 178.260 176.000 -0.125 0.000 0.972 570 Q CA 0.543 56.277 55.803 -0.115 0.000 0.847 570 Q CB -0.015 28.669 28.738 -0.090 0.000 0.903 570 Q HN 0.313 nan 8.270 nan 0.000 0.433 571 L N 0.655 121.825 121.223 -0.089 0.000 2.275 571 L HA -0.120 4.260 4.340 0.066 0.000 0.215 571 L C 1.260 178.080 176.870 -0.083 0.000 1.119 571 L CA 0.488 55.280 54.840 -0.081 0.000 0.790 571 L CB -0.106 41.919 42.059 -0.056 0.000 0.919 571 L HN 0.213 nan 8.230 nan 0.000 0.443 572 N N -0.039 118.611 118.700 -0.084 0.000 2.270 572 N HA 0.204 4.984 4.740 0.066 0.000 0.198 572 N C 0.340 175.790 175.510 -0.100 0.000 1.117 572 N CA 0.114 53.119 53.050 -0.076 0.000 0.845 572 N CB 0.434 38.889 38.487 -0.054 0.000 0.980 572 N HN 0.248 nan 8.380 nan 0.000 0.486 573 I N 1.788 122.264 120.570 -0.156 0.000 2.598 573 I HA -0.050 4.159 4.170 0.066 0.000 0.284 573 I C 0.387 176.410 176.117 -0.157 0.000 1.140 573 I CA 0.312 61.484 61.300 -0.214 0.000 1.420 573 I CB 0.291 38.032 38.000 -0.430 0.000 1.387 573 I HN -0.154 nan 8.210 nan 0.000 0.553 574 T N 8.050 122.541 114.554 -0.105 0.000 2.853 574 T HA 0.156 4.546 4.350 0.066 0.000 0.298 574 T C -2.047 172.618 174.700 -0.059 0.000 0.978 574 T CA -0.893 61.172 62.100 -0.058 0.000 1.152 574 T CB 0.030 68.886 68.868 -0.020 0.000 0.914 574 T HN 0.371 nan 8.240 nan 0.000 0.539 575 P HA 0.153 nan 4.420 nan 0.000 0.267 575 P C -2.167 175.149 177.300 0.027 0.000 1.200 575 P CA -1.179 61.909 63.100 -0.020 0.000 0.772 575 P CB -0.385 31.315 31.700 -0.000 0.000 0.855 576 P HA 0.195 nan 4.420 nan 0.000 0.271 576 P C -2.548 174.810 177.300 0.096 0.000 1.233 576 P CA -1.221 61.951 63.100 0.120 0.000 0.789 576 P CB -0.831 30.992 31.700 0.205 0.000 0.951 577 P HA 0.143 nan 4.420 nan 0.000 0.272 577 P C -0.221 177.131 177.300 0.086 0.000 1.230 577 P CA 0.035 63.185 63.100 0.082 0.000 0.788 577 P CB 0.146 31.896 31.700 0.083 0.000 0.949 578 D N -0.118 120.324 120.400 0.070 0.000 2.390 578 D HA 0.017 4.697 4.640 0.066 0.000 0.236 578 D C -0.129 176.219 176.300 0.080 0.000 1.189 578 D CA 0.284 54.321 54.000 0.063 0.000 0.887 578 D CB 0.283 41.115 40.800 0.053 0.000 1.198 578 D HN -0.041 nan 8.370 nan 0.000 0.444 579 V N 2.741 122.692 119.914 0.061 0.000 2.353 579 V HA 0.061 4.220 4.120 0.066 0.000 0.264 579 V C 0.346 176.527 176.094 0.144 0.000 1.049 579 V CA -0.458 61.903 62.300 0.102 0.000 0.896 579 V CB -0.182 31.610 31.823 -0.051 0.000 1.025 579 V HN 0.607 nan 8.190 nan 0.000 0.475 580 N N 4.507 123.314 118.700 0.177 0.000 2.707 580 N HA -0.233 4.547 4.740 0.066 0.000 0.253 580 N C 1.152 176.724 175.510 0.104 0.000 0.998 580 N CA 1.011 54.151 53.050 0.152 0.000 0.751 580 N CB -0.838 37.783 38.487 0.223 0.000 0.920 580 N HN 1.289 nan 8.380 nan 0.000 0.539 581 G N -2.046 106.801 108.800 0.079 0.000 2.176 581 G HA2 -0.321 3.678 3.960 0.066 0.000 0.253 581 G HA3 -0.321 3.678 3.960 0.066 0.000 0.253 581 G C 0.093 175.023 174.900 0.049 0.000 0.979 581 G CA 0.320 45.453 45.100 0.056 0.000 0.641 581 G HN 0.394 nan 8.290 nan 0.000 0.530 582 L N 0.320 121.574 121.223 0.053 0.000 2.305 582 L HA 0.431 4.810 4.340 0.066 0.000 0.281 582 L C 1.554 178.436 176.870 0.021 0.000 1.085 582 L CA -0.602 54.259 54.840 0.034 0.000 0.813 582 L CB 1.156 43.233 42.059 0.031 0.000 1.157 582 L HN -0.028 nan 8.230 nan 0.000 0.436 583 K N 2.676 123.083 120.400 0.012 0.000 2.361 583 K HA 0.114 4.473 4.320 0.066 0.000 0.194 583 K C -0.221 176.371 176.600 -0.015 0.000 1.032 583 K CA 0.309 56.599 56.287 0.005 0.000 1.048 583 K CB 0.455 32.956 32.500 0.002 0.000 0.842 583 K HN 0.623 nan 8.250 nan 0.000 0.526 584 K N -0.320 120.067 120.400 -0.022 0.000 2.870 584 K HA 0.192 4.552 4.320 0.066 0.000 0.290 584 K C -2.193 174.385 176.600 -0.037 0.000 1.070 584 K CA -0.893 55.364 56.287 -0.050 0.000 0.843 584 K CB 1.111 33.561 32.500 -0.083 0.000 1.475 584 K HN -0.246 nan 8.250 nan 0.000 0.359 585 D N 1.461 121.831 120.400 -0.050 0.000 2.478 585 D HA 0.327 5.007 4.640 0.066 0.000 0.240 585 D C -2.278 173.998 176.300 -0.041 0.000 1.364 585 D CA -1.973 52.015 54.000 -0.020 0.000 0.987 585 D CB 2.254 43.062 40.800 0.014 0.000 1.328 585 D HN 0.271 nan 8.370 nan 0.000 0.584 586 P HA -0.025 nan 4.420 nan 0.000 0.237 586 P C 1.142 178.424 177.300 -0.030 0.000 1.178 586 P CA 0.538 63.600 63.100 -0.063 0.000 0.766 586 P CB 0.214 31.887 31.700 -0.044 0.000 0.876 587 S N -1.108 114.608 115.700 0.026 0.000 2.555 587 S HA -0.005 4.504 4.470 0.066 0.000 0.230 587 S C 1.581 176.249 174.600 0.114 0.000 0.978 587 S CA 0.567 58.819 58.200 0.086 0.000 0.934 587 S CB -1.283 61.999 63.200 0.136 0.000 0.766 587 S HN 0.144 nan 8.310 nan 0.000 0.533 588 L N 1.244 122.488 121.223 0.034 0.000 2.492 588 L HA 0.199 4.578 4.340 0.066 0.000 0.223 588 L C 1.474 178.197 176.870 -0.244 0.000 1.132 588 L CA 0.117 54.949 54.840 -0.014 0.000 0.850 588 L CB -0.301 41.729 42.059 -0.048 0.000 0.966 588 L HN 0.327 nan 8.230 nan 0.000 0.454 589 S N -0.278 115.277 115.700 -0.241 0.000 2.586 589 S HA 0.270 4.780 4.470 0.066 0.000 0.274 589 S C 1.128 175.591 174.600 -0.229 0.000 1.281 589 S CA -0.618 57.389 58.200 -0.322 0.000 1.035 589 S CB 1.249 64.269 63.200 -0.299 0.000 0.962 589 S HN 0.176 nan 8.310 nan 0.000 0.512 590 L N 3.295 124.304 121.223 -0.357 0.000 2.141 590 L HA -0.018 4.361 4.340 0.066 0.000 0.209 590 L C 0.960 177.563 176.870 -0.446 0.000 1.094 590 L CA 1.199 55.738 54.840 -0.502 0.000 0.763 590 L CB -0.310 41.136 42.059 -1.021 0.000 0.908 590 L HN 0.761 nan 8.230 nan 0.000 0.437 591 Y N -2.301 117.993 120.300 -0.011 0.000 2.452 591 Y HA 0.323 4.912 4.550 0.066 0.000 0.262 591 Y C 2.234 178.157 175.900 0.038 0.000 1.089 591 Y CA -0.184 57.962 58.100 0.076 0.000 1.262 591 Y CB -0.547 37.993 38.460 0.133 0.000 1.236 591 Y HN -0.056 nan 8.280 nan 0.000 0.512 592 A N 0.733 123.579 122.820 0.043 0.000 1.917 592 A HA -0.116 4.244 4.320 0.066 0.000 0.219 592 A C 0.975 178.592 177.584 0.055 0.000 1.182 592 A CA 1.236 53.275 52.037 0.003 0.000 0.633 592 A CB -0.674 18.270 19.000 -0.092 0.000 0.819 592 A HN 0.182 nan 8.150 nan 0.000 0.448 593 I N 0.694 121.301 120.570 0.062 0.000 2.307 593 I HA 0.259 4.468 4.170 0.066 0.000 0.289 593 I C -2.584 173.601 176.117 0.113 0.000 1.021 593 I CA -2.328 59.017 61.300 0.075 0.000 1.224 593 I CB 0.617 38.650 38.000 0.056 0.000 1.376 593 I HN -0.003 nan 8.210 nan 0.000 0.470 594 P HA 0.028 nan 4.420 nan 0.000 0.264 594 P C -0.093 177.278 177.300 0.119 0.000 1.183 594 P CA 0.409 63.595 63.100 0.143 0.000 0.763 594 P CB 0.475 32.245 31.700 0.116 0.000 0.807 595 D N 0.965 121.445 120.400 0.132 0.000 2.740 595 D HA 0.099 4.778 4.640 0.066 0.000 0.305 595 D C 0.474 176.834 176.300 0.100 0.000 1.583 595 D CA -0.425 53.637 54.000 0.104 0.000 0.790 595 D CB -0.543 40.316 40.800 0.099 0.000 1.187 595 D HN 0.329 nan 8.370 nan 0.000 0.447 596 G N 0.212 109.079 108.800 0.111 0.000 2.484 596 G HA2 0.334 4.334 3.960 0.066 0.000 0.235 596 G HA3 0.334 4.334 3.960 0.066 0.000 0.235 596 G C -0.583 174.354 174.900 0.062 0.000 1.282 596 G CA 0.096 45.255 45.100 0.099 0.000 0.857 596 G HN 0.209 nan 8.290 nan 0.000 0.571 597 D N 0.480 120.910 120.400 0.050 0.000 2.616 597 D HA 0.155 4.835 4.640 0.066 0.000 0.238 597 D C 0.864 177.176 176.300 0.020 0.000 1.354 597 D CA -0.495 53.520 54.000 0.026 0.000 0.970 597 D CB 1.555 42.364 40.800 0.016 0.000 1.369 597 D HN 0.337 nan 8.370 nan 0.000 0.585 598 V N 1.786 121.705 119.914 0.008 0.000 3.461 598 V HA 0.229 4.389 4.120 0.066 0.000 0.267 598 V C 1.039 177.115 176.094 -0.029 0.000 1.186 598 V CA 0.174 62.474 62.300 0.000 0.000 1.154 598 V CB -0.700 31.119 31.823 -0.007 0.000 0.802 598 V HN 0.394 nan 8.190 nan 0.000 0.474 599 K N 1.182 121.558 120.400 -0.041 0.000 2.412 599 K HA 0.395 4.754 4.320 0.066 0.000 0.281 599 K C 1.274 177.829 176.600 -0.075 0.000 1.027 599 K CA 0.971 57.210 56.287 -0.080 0.000 0.989 599 K CB 0.274 32.733 32.500 -0.068 0.000 0.935 599 K HN 0.661 nan 8.250 nan 0.000 0.475 600 G N 3.087 111.804 108.800 -0.138 0.000 2.199 600 G HA2 -0.221 3.778 3.960 0.066 0.000 0.254 600 G HA3 -0.221 3.778 3.960 0.066 0.000 0.254 600 G C 0.140 175.078 174.900 0.062 0.000 0.982 600 G CA -0.156 44.933 45.100 -0.018 0.000 0.632 600 G HN 0.568 nan 8.290 nan 0.000 0.529 601 R N -0.202 120.306 120.500 0.013 0.000 2.738 601 R HA 0.664 5.043 4.340 0.066 0.000 0.275 601 R C 0.142 176.495 176.300 0.089 0.000 1.121 601 R CA -0.005 56.136 56.100 0.067 0.000 1.207 601 R CB 0.697 31.029 30.300 0.054 0.000 1.141 601 R HN 0.704 nan 8.270 nan 0.000 0.571 602 V N 0.302 120.288 119.914 0.119 0.000 2.841 602 V HA 0.427 4.587 4.120 0.066 0.000 0.310 602 V C -1.076 175.084 176.094 0.110 0.000 1.090 602 V CA -0.749 61.636 62.300 0.142 0.000 0.930 602 V CB 2.458 34.391 31.823 0.183 0.000 1.014 602 V HN 0.347 nan 8.190 nan 0.000 0.425 603 V N 5.744 125.717 119.914 0.098 0.000 2.513 603 V HA 0.802 4.961 4.120 0.066 0.000 0.299 603 V C 0.558 176.708 176.094 0.094 0.000 1.035 603 V CA -0.137 62.212 62.300 0.081 0.000 0.889 603 V CB 1.738 33.594 31.823 0.055 0.000 0.988 603 V HN 1.188 nan 8.190 nan 0.000 0.440 604 A N 5.909 128.792 122.820 0.105 0.000 2.363 604 A HA 0.745 5.105 4.320 0.066 0.000 0.270 604 A C -0.417 177.178 177.584 0.019 0.000 1.121 604 A CA -0.211 51.872 52.037 0.077 0.000 0.800 604 A CB 0.062 19.134 19.000 0.120 0.000 1.052 604 A HN 0.757 nan 8.150 nan 0.000 0.493 605 I N 3.451 124.026 120.570 0.009 0.000 2.382 605 I HA 0.194 4.404 4.170 0.066 0.000 0.285 605 I C -0.645 175.478 176.117 0.010 0.000 1.007 605 I CA -0.209 61.097 61.300 0.011 0.000 1.142 605 I CB 1.340 39.360 38.000 0.033 0.000 1.289 605 I HN 0.489 nan 8.210 nan 0.000 0.453 606 L N 7.177 128.391 121.223 -0.015 0.000 2.342 606 L HA 0.372 4.751 4.340 0.066 0.000 0.285 606 L C 0.136 177.105 176.870 0.166 0.000 1.095 606 L CA -0.330 54.556 54.840 0.077 0.000 0.843 606 L CB 0.159 42.117 42.059 -0.167 0.000 1.201 606 L HN 0.439 nan 8.230 nan 0.000 0.445 607 L N 3.574 124.943 121.223 0.243 0.000 2.464 607 L HA 0.189 4.568 4.340 0.066 0.000 0.264 607 L C 0.281 177.344 176.870 0.321 0.000 1.199 607 L CA -0.221 54.727 54.840 0.180 0.000 0.818 607 L CB 0.727 42.804 42.059 0.030 0.000 1.102 607 L HN 0.709 nan 8.230 nan 0.000 0.473 608 N N -1.772 117.022 118.700 0.157 0.000 2.545 608 N HA 0.214 4.994 4.740 0.066 0.000 0.289 608 N C -0.176 175.307 175.510 -0.045 0.000 1.279 608 N CA -0.779 52.398 53.050 0.211 0.000 0.824 608 N CB 0.690 39.288 38.487 0.184 0.000 1.395 608 N HN 0.540 nan 8.380 nan 0.000 0.526 609 D N -1.972 118.433 120.400 0.009 0.000 2.378 609 D HA -0.081 4.598 4.640 0.066 0.000 0.227 609 D C -0.249 176.011 176.300 -0.067 0.000 1.012 609 D CA 0.793 54.731 54.000 -0.102 0.000 0.905 609 D CB -0.096 40.715 40.800 0.017 0.000 0.895 609 D HN 0.731 nan 8.370 nan 0.000 0.532 610 E N 0.224 120.403 120.200 -0.034 0.000 3.832 610 E HA 0.220 4.610 4.350 0.066 0.000 0.250 610 E C -1.251 175.336 176.600 -0.023 0.000 1.215 610 E CA -0.445 55.938 56.400 -0.029 0.000 1.179 610 E CB 0.493 30.186 29.700 -0.012 0.000 1.270 610 E HN -0.092 nan 8.360 nan 0.000 0.405 611 V N 1.998 121.890 119.914 -0.036 0.000 2.872 611 V HA 0.046 4.205 4.120 0.066 0.000 0.307 611 V C 0.924 177.003 176.094 -0.025 0.000 1.072 611 V CA 0.235 62.521 62.300 -0.023 0.000 1.148 611 V CB 0.825 32.630 31.823 -0.030 0.000 0.954 611 V HN 0.494 nan 8.190 nan 0.000 0.490 612 R N 3.008 123.494 120.500 -0.023 0.000 2.291 612 R HA 0.076 4.455 4.340 0.066 0.000 0.333 612 R C 1.532 177.811 176.300 -0.035 0.000 1.082 612 R CA 0.469 56.550 56.100 -0.031 0.000 0.948 612 R CB 0.446 30.723 30.300 -0.038 0.000 1.009 612 R HN 1.006 nan 8.270 nan 0.000 0.460 613 S N 3.396 119.077 115.700 -0.032 0.000 2.399 613 S HA -0.194 4.315 4.470 0.066 0.000 0.231 613 S C 1.948 176.529 174.600 -0.032 0.000 1.022 613 S CA 0.877 59.059 58.200 -0.030 0.000 0.983 613 S CB -0.057 63.128 63.200 -0.026 0.000 0.803 613 S HN 0.685 nan 8.310 nan 0.000 0.480 614 A N 2.355 125.152 122.820 -0.037 0.000 1.902 614 A HA -0.123 4.236 4.320 0.066 0.000 0.217 614 A C 2.012 179.562 177.584 -0.056 0.000 1.181 614 A CA 1.736 53.748 52.037 -0.042 0.000 0.623 614 A CB -0.967 18.006 19.000 -0.045 0.000 0.818 614 A HN 0.472 nan 8.150 nan 0.000 0.443 615 D N -0.512 119.844 120.400 -0.073 0.000 2.092 615 D HA -0.133 4.547 4.640 0.066 0.000 0.193 615 D C 1.856 178.117 176.300 -0.064 0.000 0.994 615 D CA 1.294 55.232 54.000 -0.104 0.000 0.828 615 D CB -0.431 40.296 40.800 -0.121 0.000 0.963 615 D HN 0.290 nan 8.370 nan 0.000 0.450 616 L N 0.331 121.530 121.223 -0.040 0.000 2.046 616 L HA -0.123 4.257 4.340 0.066 0.000 0.208 616 L C 2.174 179.038 176.870 -0.010 0.000 1.077 616 L CA 1.153 55.983 54.840 -0.017 0.000 0.747 616 L CB -0.628 41.422 42.059 -0.015 0.000 0.896 616 L HN 0.004 nan 8.230 nan 0.000 0.432 617 L N -0.441 120.772 121.223 -0.016 0.000 2.013 617 L HA -0.223 4.156 4.340 0.066 0.000 0.212 617 L C 2.531 179.398 176.870 -0.005 0.000 1.073 617 L CA 2.224 57.058 54.840 -0.011 0.000 0.753 617 L CB -1.049 41.001 42.059 -0.015 0.000 0.890 617 L HN 0.350 nan 8.230 nan 0.000 0.432 618 A N -1.160 121.652 122.820 -0.013 0.000 1.929 618 A HA -0.091 4.269 4.320 0.066 0.000 0.216 618 A C 2.252 179.849 177.584 0.022 0.000 1.176 618 A CA 1.441 53.477 52.037 -0.003 0.000 0.628 618 A CB -0.627 18.360 19.000 -0.023 0.000 0.816 618 A HN 0.418 nan 8.150 nan 0.000 0.444 619 I N -0.134 120.450 120.570 0.023 0.000 2.113 619 I HA -0.268 3.941 4.170 0.066 0.000 0.238 619 I C 2.342 178.486 176.117 0.045 0.000 1.070 619 I CA 1.318 62.654 61.300 0.060 0.000 1.332 619 I CB -0.358 37.680 38.000 0.063 0.000 1.044 619 I HN 0.274 nan 8.210 nan 0.000 0.402 620 L N 0.437 121.677 121.223 0.029 0.000 2.093 620 L HA -0.209 4.171 4.340 0.066 0.000 0.208 620 L C 2.596 179.477 176.870 0.020 0.000 1.085 620 L CA 1.257 56.113 54.840 0.025 0.000 0.755 620 L CB -0.642 41.430 42.059 0.021 0.000 0.904 620 L HN 0.250 nan 8.230 nan 0.000 0.435 621 K N 0.756 121.166 120.400 0.016 0.000 2.026 621 K HA -0.195 4.165 4.320 0.066 0.000 0.208 621 K C 2.173 178.781 176.600 0.014 0.000 1.048 621 K CA 1.496 57.790 56.287 0.013 0.000 0.929 621 K CB -0.104 32.402 32.500 0.010 0.000 0.713 621 K HN 0.247 nan 8.250 nan 0.000 0.439 622 A N 1.229 124.063 122.820 0.023 0.000 1.898 622 A HA -0.089 4.271 4.320 0.066 0.000 0.216 622 A C 2.126 179.716 177.584 0.010 0.000 1.181 622 A CA 1.202 53.253 52.037 0.023 0.000 0.620 622 A CB -0.582 18.444 19.000 0.043 0.000 0.819 622 A HN 0.323 nan 8.150 nan 0.000 0.442 623 L N -0.542 120.688 121.223 0.012 0.000 2.012 623 L HA -0.230 4.150 4.340 0.066 0.000 0.210 623 L C 2.679 179.531 176.870 -0.030 0.000 1.073 623 L CA 2.077 56.912 54.840 -0.008 0.000 0.748 623 L CB -0.521 41.541 42.059 0.006 0.000 0.891 623 L HN 0.477 nan 8.230 nan 0.000 0.431 624 K N 0.502 120.893 120.400 -0.015 0.000 2.063 624 K HA -0.207 4.153 4.320 0.066 0.000 0.208 624 K C 2.075 178.659 176.600 -0.027 0.000 1.048 624 K CA 1.452 57.727 56.287 -0.020 0.000 0.928 624 K CB -0.111 32.389 32.500 -0.000 0.000 0.713 624 K HN 0.278 nan 8.250 nan 0.000 0.442 625 A N 0.913 123.723 122.820 -0.016 0.000 2.076 625 A HA -0.114 4.245 4.320 0.066 0.000 0.220 625 A C 1.550 179.119 177.584 -0.025 0.000 1.160 625 A CA 1.383 53.412 52.037 -0.015 0.000 0.653 625 A CB -0.076 18.921 19.000 -0.005 0.000 0.801 625 A HN 0.165 nan 8.150 nan 0.000 0.455 626 K N -1.722 118.656 120.400 -0.037 0.000 2.387 626 K HA 0.233 4.593 4.320 0.066 0.000 0.203 626 K C 0.915 177.468 176.600 -0.080 0.000 1.030 626 K CA 0.574 56.834 56.287 -0.045 0.000 1.099 626 K CB 0.161 32.640 32.500 -0.035 0.000 0.863 626 K HN 0.703 nan 8.250 nan 0.000 0.529 627 G N 1.565 110.299 108.800 -0.108 0.000 2.176 627 G HA2 -0.233 3.766 3.960 0.066 0.000 0.252 627 G HA3 -0.233 3.766 3.960 0.066 0.000 0.252 627 G C 0.061 174.758 174.900 -0.339 0.000 1.024 627 G CA 0.284 45.270 45.100 -0.190 0.000 0.755 627 G HN 0.098 nan 8.290 nan 0.000 0.507 628 V N 2.750 122.516 119.914 -0.247 0.000 2.432 628 V HA 0.388 4.547 4.120 0.066 0.000 0.271 628 V C 0.880 176.830 176.094 -0.240 0.000 1.046 628 V CA -1.064 61.093 62.300 -0.238 0.000 0.945 628 V CB 0.898 32.666 31.823 -0.091 0.000 0.992 628 V HN 0.360 nan 8.190 nan 0.000 0.471 629 H N 2.715 121.797 119.070 0.019 0.000 2.546 629 H HA 0.739 5.335 4.556 0.066 0.000 0.365 629 H C 0.170 175.517 175.328 0.033 0.000 1.220 629 H CA -0.114 55.947 56.048 0.023 0.000 1.386 629 H CB 1.646 31.422 29.762 0.024 0.000 1.510 629 H HN 0.755 nan 8.280 nan 0.000 0.591 630 A N 1.334 124.259 122.820 0.175 0.000 2.414 630 A HA 0.505 4.864 4.320 0.066 0.000 0.306 630 A C -0.663 176.977 177.584 0.093 0.000 1.054 630 A CA -0.945 51.157 52.037 0.108 0.000 0.724 630 A CB 1.311 20.356 19.000 0.075 0.000 1.267 630 A HN 0.735 nan 8.150 nan 0.000 0.418 631 K N 2.545 122.995 120.400 0.083 0.000 2.323 631 K HA 0.710 5.070 4.320 0.066 0.000 0.259 631 K C -1.492 175.136 176.600 0.047 0.000 0.947 631 K CA -0.513 55.813 56.287 0.066 0.000 0.819 631 K CB 1.450 33.999 32.500 0.082 0.000 1.109 631 K HN 0.513 nan 8.250 nan 0.000 0.429 632 L N 5.167 126.408 121.223 0.031 0.000 2.265 632 L HA 0.396 4.776 4.340 0.066 0.000 0.288 632 L C -0.473 176.403 176.870 0.010 0.000 1.058 632 L CA -0.800 54.051 54.840 0.020 0.000 0.809 632 L CB 0.360 42.422 42.059 0.005 0.000 1.179 632 L HN 0.532 nan 8.230 nan 0.000 0.429 633 L N 3.520 124.753 121.223 0.017 0.000 2.333 633 L HA 0.619 4.998 4.340 0.066 0.000 0.269 633 L C -0.847 175.957 176.870 -0.111 0.000 1.010 633 L CA -0.774 54.035 54.840 -0.051 0.000 0.818 633 L CB 2.022 44.070 42.059 -0.019 0.000 1.306 633 L HN 0.404 nan 8.230 nan 0.000 0.430 634 Y N -0.571 119.323 120.300 -0.676 0.000 2.900 634 Y HA 0.216 4.805 4.550 0.066 0.000 0.318 634 Y C 0.691 175.828 175.900 -1.271 0.000 1.457 634 Y CA -0.691 56.911 58.100 -0.830 0.000 1.082 634 Y CB 1.494 39.772 38.460 -0.303 0.000 1.419 634 Y HN 0.538 nan 8.280 nan 0.000 0.459 635 S N 0.592 115.395 115.700 -1.495 0.000 2.575 635 S HA 0.292 4.802 4.470 0.066 0.000 0.215 635 S C 0.011 174.329 174.600 -0.471 0.000 0.966 635 S CA 0.136 57.823 58.200 -0.856 0.000 0.911 635 S CB -0.157 62.695 63.200 -0.580 0.000 0.780 635 S HN 0.602 nan 8.310 nan 0.000 0.514 636 R N -1.030 119.276 120.500 -0.324 0.000 2.795 636 R HA 0.646 5.026 4.340 0.066 0.000 0.268 636 R C -0.760 175.530 176.300 -0.016 0.000 1.041 636 R CA -1.136 54.903 56.100 -0.101 0.000 0.927 636 R CB 0.511 30.799 30.300 -0.019 0.000 1.235 636 R HN -0.074 nan 8.270 nan 0.000 0.463 637 M N 0.001 119.597 119.600 -0.007 0.000 2.154 637 M HA 0.503 5.023 4.480 0.066 0.000 0.251 637 M C 0.979 177.294 176.300 0.026 0.000 1.200 637 M CA 0.815 56.118 55.300 0.006 0.000 0.967 637 M CB 0.462 33.058 32.600 -0.007 0.000 1.362 637 M HN 1.056 nan 8.290 nan 0.000 0.522 638 G N 0.830 109.635 108.800 0.009 0.000 2.709 638 G HA2 -0.123 3.876 3.960 0.066 0.000 0.228 638 G HA3 -0.123 3.876 3.960 0.066 0.000 0.228 638 G C -0.966 173.926 174.900 -0.013 0.000 1.215 638 G CA -0.479 44.623 45.100 0.002 0.000 1.003 638 G HN 0.645 nan 8.290 nan 0.000 0.584 639 E N -0.789 119.396 120.200 -0.026 0.000 2.369 639 E HA 0.626 5.015 4.350 0.066 0.000 0.270 639 E C -0.399 176.135 176.600 -0.110 0.000 0.909 639 E CA -0.615 55.749 56.400 -0.060 0.000 0.775 639 E CB 2.940 32.613 29.700 -0.045 0.000 1.270 639 E HN 1.235 nan 8.360 nan 0.000 0.445 640 V N -1.811 118.002 119.914 -0.168 0.000 3.001 640 V HA 0.716 4.876 4.120 0.066 0.000 0.314 640 V C -0.450 175.561 176.094 -0.139 0.000 1.099 640 V CA -0.711 61.459 62.300 -0.215 0.000 0.989 640 V CB 1.939 33.507 31.823 -0.426 0.000 1.040 640 V HN 0.638 nan 8.190 nan 0.000 0.434 641 T N 2.393 116.880 114.554 -0.112 0.000 2.797 641 T HA 0.779 5.168 4.350 0.066 0.000 0.279 641 T C 0.336 174.993 174.700 -0.072 0.000 0.991 641 T CA 0.284 62.340 62.100 -0.074 0.000 0.979 641 T CB 1.408 70.245 68.868 -0.052 0.000 0.943 641 T HN 1.344 nan 8.240 nan 0.000 0.444 642 A N 2.186 124.970 122.820 -0.059 0.000 2.310 642 A HA 0.335 4.695 4.320 0.066 0.000 0.260 642 A C 1.545 179.107 177.584 -0.037 0.000 1.112 642 A CA -0.289 51.719 52.037 -0.049 0.000 0.804 642 A CB 0.014 18.990 19.000 -0.041 0.000 1.081 642 A HN 0.909 nan 8.150 nan 0.000 0.499 643 D N -0.432 119.950 120.400 -0.031 0.000 2.311 643 D HA -0.171 4.509 4.640 0.066 0.000 0.212 643 D C 0.493 176.780 176.300 -0.022 0.000 0.972 643 D CA 1.485 55.470 54.000 -0.025 0.000 0.887 643 D CB -0.173 40.613 40.800 -0.022 0.000 0.915 643 D HN 0.578 nan 8.370 nan 0.000 0.497 644 D N -1.683 118.703 120.400 -0.023 0.000 2.402 644 D HA 0.220 4.899 4.640 0.066 0.000 0.216 644 D C 1.559 177.847 176.300 -0.020 0.000 1.128 644 D CA 0.228 54.216 54.000 -0.020 0.000 0.833 644 D CB -0.003 40.785 40.800 -0.019 0.000 0.971 644 D HN 0.301 nan 8.370 nan 0.000 0.503 645 G N 0.055 108.841 108.800 -0.023 0.000 2.195 645 G HA2 -0.264 3.735 3.960 0.066 0.000 0.246 645 G HA3 -0.264 3.735 3.960 0.066 0.000 0.246 645 G C 0.419 175.304 174.900 -0.024 0.000 0.984 645 G CA 0.238 45.325 45.100 -0.022 0.000 0.633 645 G HN 0.417 nan 8.290 nan 0.000 0.525 646 T N 1.760 116.298 114.554 -0.026 0.000 2.817 646 T HA 0.412 4.801 4.350 0.066 0.000 0.295 646 T C 0.750 175.430 174.700 -0.033 0.000 0.958 646 T CA 0.088 62.173 62.100 -0.026 0.000 1.157 646 T CB 1.823 70.676 68.868 -0.025 0.000 0.898 646 T HN 0.450 nan 8.240 nan 0.000 0.536 647 V N 6.289 126.185 119.914 -0.030 0.000 2.470 647 V HA 0.217 4.377 4.120 0.066 0.000 0.276 647 V C 0.321 176.391 176.094 -0.039 0.000 1.040 647 V CA -0.297 61.981 62.300 -0.037 0.000 1.008 647 V CB 0.293 32.099 31.823 -0.029 0.000 0.990 647 V HN 0.683 nan 8.190 nan 0.000 0.477 648 L N 8.403 129.592 121.223 -0.056 0.000 2.295 648 L HA 0.443 4.823 4.340 0.066 0.000 0.281 648 L C -2.326 174.510 176.870 -0.057 0.000 1.018 648 L CA -1.807 53.000 54.840 -0.055 0.000 0.841 648 L CB 1.793 43.809 42.059 -0.072 0.000 1.218 648 L HN 0.436 nan 8.230 nan 0.000 0.424 649 P HA 0.204 nan 4.420 nan 0.000 0.275 649 P C -0.498 176.786 177.300 -0.028 0.000 1.228 649 P CA -0.030 63.053 63.100 -0.029 0.000 0.786 649 P CB 0.961 32.652 31.700 -0.015 0.000 0.927 650 I N 1.838 122.393 120.570 -0.024 0.000 2.315 650 I HA 0.229 4.439 4.170 0.066 0.000 0.291 650 I C 1.496 177.607 176.117 -0.010 0.000 1.006 650 I CA -0.428 60.861 61.300 -0.018 0.000 1.265 650 I CB 1.471 39.467 38.000 -0.006 0.000 1.387 650 I HN 0.364 nan 8.210 nan 0.000 0.475 651 A N 5.401 128.218 122.820 -0.005 0.000 1.929 651 A HA 0.456 4.815 4.320 0.066 0.000 0.216 651 A C 1.006 178.591 177.584 0.003 0.000 1.176 651 A CA 1.409 53.449 52.037 0.005 0.000 0.628 651 A CB -0.019 18.992 19.000 0.019 0.000 0.816 651 A HN 0.829 nan 8.150 nan 0.000 0.444 652 A N -2.342 120.472 122.820 -0.011 0.000 2.567 652 A HA 0.550 4.910 4.320 0.066 0.000 0.291 652 A C -0.071 177.468 177.584 -0.075 0.000 1.048 652 A CA 0.033 52.061 52.037 -0.015 0.000 0.661 652 A CB -0.311 18.706 19.000 0.028 0.000 1.288 652 A HN 0.809 nan 8.150 nan 0.000 0.424 653 T N -1.263 113.237 114.554 -0.089 0.000 2.849 653 T HA 0.544 4.933 4.350 0.066 0.000 0.284 653 T C 1.003 175.644 174.700 -0.098 0.000 1.004 653 T CA 0.121 62.094 62.100 -0.210 0.000 1.021 653 T CB 0.029 68.813 68.868 -0.141 0.000 1.013 653 T HN 0.513 nan 8.240 nan 0.000 0.527 654 F N 0.621 120.592 119.950 0.035 0.000 2.120 654 F HA -0.065 4.502 4.527 0.066 0.000 0.300 654 F C 2.927 178.862 175.800 0.225 0.000 1.095 654 F CA 1.103 59.177 58.000 0.123 0.000 1.249 654 F CB -0.722 38.329 39.000 0.084 0.000 0.995 654 F HN 0.708 nan 8.300 nan 0.000 0.480 655 A N 0.276 123.259 122.820 0.272 0.000 1.970 655 A HA 0.063 4.422 4.320 0.066 0.000 0.216 655 A C 2.437 180.092 177.584 0.119 0.000 1.170 655 A CA 1.368 53.510 52.037 0.174 0.000 0.645 655 A CB -1.388 17.674 19.000 0.103 0.000 0.816 655 A HN 0.386 nan 8.150 nan 0.000 0.447 656 G N -0.930 107.925 108.800 0.091 0.000 2.448 656 G HA2 0.290 4.290 3.960 0.066 0.000 0.218 656 G HA3 0.290 4.290 3.960 0.066 0.000 0.218 656 G C 0.639 175.591 174.900 0.087 0.000 1.135 656 G CA 0.942 46.079 45.100 0.062 0.000 0.784 656 G HN 1.031 nan 8.290 nan 0.000 0.543 657 A N 0.895 123.803 122.820 0.147 0.000 3.030 657 A HA 0.703 5.063 4.320 0.066 0.000 0.335 657 A C -2.675 175.067 177.584 0.262 0.000 1.089 657 A CA -1.174 50.966 52.037 0.172 0.000 0.807 657 A CB 1.325 20.422 19.000 0.163 0.000 1.099 657 A HN 0.084 nan 8.150 nan 0.000 0.474 658 P HA 0.081 nan 4.420 nan 0.000 0.273 658 P C 1.356 178.484 177.300 -0.286 0.000 1.250 658 P CA 0.151 63.191 63.100 -0.100 0.000 0.793 658 P CB 0.799 32.432 31.700 -0.111 0.000 1.011 659 S N 0.580 115.752 115.700 -0.879 0.000 2.442 659 S HA -0.143 4.366 4.470 0.066 0.000 0.236 659 S C 1.812 176.267 174.600 -0.242 0.000 1.007 659 S CA 0.981 58.817 58.200 -0.607 0.000 0.965 659 S CB -1.360 61.373 63.200 -0.778 0.000 0.773 659 S HN 0.329 nan 8.310 nan 0.000 0.504 660 L N 1.796 122.878 121.223 -0.234 0.000 2.089 660 L HA -0.136 4.244 4.340 0.066 0.000 0.213 660 L C 2.981 179.668 176.870 -0.305 0.000 1.079 660 L CA 1.810 56.505 54.840 -0.242 0.000 0.758 660 L CB -1.590 40.299 42.059 -0.282 0.000 0.891 660 L HN 0.658 nan 8.230 nan 0.000 0.433 661 T N -3.137 111.306 114.554 -0.185 0.000 3.129 661 T HA 0.229 4.619 4.350 0.066 0.000 0.251 661 T C 0.345 175.137 174.700 0.153 0.000 1.117 661 T CA 0.187 62.260 62.100 -0.045 0.000 1.034 661 T CB -0.396 68.548 68.868 0.127 0.000 0.968 661 T HN 0.182 nan 8.240 nan 0.000 0.526 662 V N -2.891 117.074 119.914 0.085 0.000 3.155 662 V HA 0.580 4.740 4.120 0.066 0.000 0.313 662 V C -0.170 175.972 176.094 0.081 0.000 1.162 662 V CA -0.965 61.415 62.300 0.132 0.000 1.048 662 V CB 2.048 33.965 31.823 0.157 0.000 1.092 662 V HN 0.000 nan 8.190 nan 0.000 0.447 663 D N 0.756 121.204 120.400 0.079 0.000 2.366 663 D HA 0.521 5.201 4.640 0.066 0.000 0.205 663 D C 0.536 176.820 176.300 -0.027 0.000 1.022 663 D CA 1.466 55.486 54.000 0.033 0.000 0.868 663 D CB 1.520 42.360 40.800 0.067 0.000 0.953 663 D HN 1.020 nan 8.370 nan 0.000 0.514 664 A N 0.087 122.908 122.820 0.002 0.000 2.567 664 A HA 0.503 4.862 4.320 0.066 0.000 0.291 664 A C -1.662 175.938 177.584 0.027 0.000 1.048 664 A CA -0.576 51.449 52.037 -0.020 0.000 0.661 664 A CB 1.282 20.257 19.000 -0.042 0.000 1.288 664 A HN -0.105 nan 8.150 nan 0.000 0.424 665 V N 1.133 121.056 119.914 0.014 0.000 2.709 665 V HA 0.611 4.770 4.120 0.066 0.000 0.308 665 V C -0.638 175.458 176.094 0.004 0.000 1.062 665 V CA -0.266 62.054 62.300 0.034 0.000 0.901 665 V CB 1.643 33.503 31.823 0.062 0.000 1.003 665 V HN 0.716 nan 8.190 nan 0.000 0.425 666 I N 3.897 124.476 120.570 0.016 0.000 2.509 666 I HA 0.586 4.795 4.170 0.066 0.000 0.293 666 I C -0.921 175.218 176.117 0.037 0.000 1.020 666 I CA -0.970 60.366 61.300 0.060 0.000 1.088 666 I CB 2.324 40.390 38.000 0.110 0.000 1.267 666 I HN 0.282 nan 8.210 nan 0.000 0.430 667 V N 7.239 127.194 119.914 0.068 0.000 2.349 667 V HA 0.352 4.511 4.120 0.066 0.000 0.284 667 V C -2.153 173.995 176.094 0.091 0.000 1.014 667 V CA -1.570 60.756 62.300 0.042 0.000 0.826 667 V CB 1.337 33.152 31.823 -0.013 0.000 1.009 667 V HN 0.562 nan 8.190 nan 0.000 0.431 668 P HA 0.375 nan 4.420 nan 0.000 0.274 668 P C -0.142 177.174 177.300 0.027 0.000 1.246 668 P CA -0.120 62.990 63.100 0.017 0.000 0.795 668 P CB 1.241 32.943 31.700 0.002 0.000 1.006 669 A N 0.370 123.182 122.820 -0.014 0.000 2.251 669 A HA 0.675 5.035 4.320 0.066 0.000 0.278 669 A C 0.840 178.428 177.584 0.006 0.000 1.206 669 A CA 0.630 52.667 52.037 -0.001 0.000 0.822 669 A CB -0.831 18.151 19.000 -0.031 0.000 1.187 669 A HN 0.861 nan 8.150 nan 0.000 0.504 670 G N -0.588 108.216 108.800 0.007 0.000 2.233 670 G HA2 -0.003 3.997 3.960 0.066 0.000 0.162 670 G HA3 -0.003 3.997 3.960 0.066 0.000 0.162 670 G C -0.387 174.522 174.900 0.015 0.000 1.327 670 G CA 0.052 45.156 45.100 0.006 0.000 1.187 670 G HN 1.162 nan 8.290 nan 0.000 0.479 671 N N 2.001 120.716 118.700 0.026 0.000 3.050 671 N HA 0.249 5.029 4.740 0.066 0.000 0.289 671 N C 1.775 177.319 175.510 0.056 0.000 1.209 671 N CA -0.324 52.746 53.050 0.033 0.000 1.154 671 N CB -0.320 38.187 38.487 0.034 0.000 1.444 671 N HN 0.402 nan 8.380 nan 0.000 0.529 672 I N 0.707 121.300 120.570 0.037 0.000 2.361 672 I HA -0.232 3.978 4.170 0.066 0.000 0.251 672 I C 2.037 178.157 176.117 0.005 0.000 1.133 672 I CA 0.768 62.090 61.300 0.036 0.000 1.413 672 I CB -1.405 36.587 38.000 -0.012 0.000 1.073 672 I HN 0.455 nan 8.210 nan 0.000 0.424 673 A N 0.695 123.510 122.820 -0.008 0.000 1.986 673 A HA -0.296 4.064 4.320 0.066 0.000 0.220 673 A C 2.074 179.674 177.584 0.027 0.000 1.171 673 A CA 2.143 54.172 52.037 -0.014 0.000 0.640 673 A CB -0.769 18.224 19.000 -0.011 0.000 0.811 673 A HN 0.437 nan 8.150 nan 0.000 0.451 674 D N 0.309 120.751 120.400 0.070 0.000 2.158 674 D HA -0.174 4.505 4.640 0.066 0.000 0.197 674 D C 1.527 177.910 176.300 0.138 0.000 0.995 674 D CA 1.886 55.957 54.000 0.119 0.000 0.846 674 D CB -0.207 40.702 40.800 0.182 0.000 0.941 674 D HN 0.669 nan 8.370 nan 0.000 0.456 675 I N -4.173 116.492 120.570 0.158 0.000 4.227 675 I HA 0.483 4.692 4.170 0.066 0.000 0.334 675 I C 1.865 178.084 176.117 0.171 0.000 1.341 675 I CA -0.060 61.354 61.300 0.190 0.000 1.123 675 I CB 0.152 38.315 38.000 0.273 0.000 1.097 675 I HN -0.089 nan 8.210 nan 0.000 0.399 676 A N 1.625 124.459 122.820 0.023 0.000 1.978 676 A HA -0.163 4.197 4.320 0.066 0.000 0.220 676 A C 1.573 179.120 177.584 -0.063 0.000 1.170 676 A CA 2.038 53.964 52.037 -0.186 0.000 0.636 676 A CB -0.466 18.366 19.000 -0.280 0.000 0.810 676 A HN 0.506 nan 8.150 nan 0.000 0.448 677 D N -0.606 119.792 120.400 -0.003 0.000 2.368 677 D HA 0.030 4.710 4.640 0.066 0.000 0.218 677 D C 0.005 176.330 176.300 0.043 0.000 1.112 677 D CA -0.163 53.844 54.000 0.012 0.000 0.834 677 D CB -0.195 40.605 40.800 -0.001 0.000 0.953 677 D HN 0.341 nan 8.370 nan 0.000 0.505 678 N N 1.070 119.812 118.700 0.070 0.000 2.442 678 N HA 0.035 4.815 4.740 0.066 0.000 0.265 678 N C 1.355 176.903 175.510 0.064 0.000 1.138 678 N CA 0.038 53.129 53.050 0.069 0.000 0.956 678 N CB 1.548 40.088 38.487 0.089 0.000 1.067 678 N HN -0.005 nan 8.380 nan 0.000 0.474 679 G N 3.359 112.196 108.800 0.060 0.000 2.446 679 G HA2 -0.266 3.733 3.960 0.066 0.000 0.217 679 G HA3 -0.266 3.733 3.960 0.066 0.000 0.217 679 G C 0.954 175.910 174.900 0.092 0.000 1.168 679 G CA 0.592 45.730 45.100 0.064 0.000 0.771 679 G HN 0.611 nan 8.290 nan 0.000 0.551 680 D N 0.913 121.375 120.400 0.104 0.000 2.117 680 D HA -0.029 4.651 4.640 0.066 0.000 0.197 680 D C 2.786 179.106 176.300 0.033 0.000 0.987 680 D CA 1.261 55.358 54.000 0.162 0.000 0.829 680 D CB -0.427 40.534 40.800 0.268 0.000 0.961 680 D HN 0.319 nan 8.370 nan 0.000 0.460 681 A N 0.799 123.473 122.820 -0.242 0.000 1.898 681 A HA -0.149 4.210 4.320 0.066 0.000 0.216 681 A C 2.028 179.426 177.584 -0.309 0.000 1.181 681 A CA 1.080 52.728 52.037 -0.648 0.000 0.620 681 A CB -0.373 18.159 19.000 -0.780 0.000 0.819 681 A HN 0.137 nan 8.150 nan 0.000 0.442 682 N N -1.474 117.192 118.700 -0.057 0.000 2.142 682 N HA -0.167 4.612 4.740 0.066 0.000 0.186 682 N C 1.689 177.202 175.510 0.005 0.000 1.023 682 N CA 1.667 54.734 53.050 0.028 0.000 0.852 682 N CB -0.421 38.146 38.487 0.132 0.000 0.998 682 N HN 0.677 nan 8.380 nan 0.000 0.424 683 Y N 0.667 120.939 120.300 -0.047 0.000 2.224 683 Y HA -0.294 4.295 4.550 0.066 0.000 0.289 683 Y C 2.403 178.258 175.900 -0.075 0.000 1.146 683 Y CA 1.364 59.431 58.100 -0.054 0.000 1.182 683 Y CB -0.400 38.035 38.460 -0.042 0.000 0.983 683 Y HN 0.029 nan 8.280 nan 0.000 0.524 684 Y N 0.456 120.619 120.300 -0.228 0.000 2.102 684 Y HA -0.356 4.233 4.550 0.066 0.000 0.280 684 Y C 2.102 177.797 175.900 -0.343 0.000 1.178 684 Y CA 2.250 60.185 58.100 -0.274 0.000 1.146 684 Y CB -0.522 37.778 38.460 -0.266 0.000 0.968 684 Y HN 0.141 nan 8.280 nan 0.000 0.504 685 L N -1.204 119.942 121.223 -0.127 0.000 2.093 685 L HA -0.257 4.122 4.340 0.066 0.000 0.208 685 L C 2.428 179.168 176.870 -0.216 0.000 1.085 685 L CA 1.402 56.143 54.840 -0.166 0.000 0.755 685 L CB -0.511 41.413 42.059 -0.224 0.000 0.904 685 L HN 0.284 nan 8.230 nan 0.000 0.435 686 M N -0.616 118.796 119.600 -0.314 0.000 2.117 686 M HA -0.219 4.301 4.480 0.066 0.000 0.262 686 M C 2.278 178.313 176.300 -0.442 0.000 1.065 686 M CA 1.687 56.795 55.300 -0.320 0.000 1.114 686 M CB -0.347 32.082 32.600 -0.286 0.000 1.361 686 M HN 0.209 nan 8.290 nan 0.000 0.408 687 E N 0.537 120.271 120.200 -0.776 0.000 2.051 687 E HA -0.195 4.195 4.350 0.066 0.000 0.192 687 E C 2.000 178.225 176.600 -0.624 0.000 0.991 687 E CA 1.336 57.253 56.400 -0.805 0.000 0.799 687 E CB 0.000 29.184 29.700 -0.860 0.000 0.748 687 E HN 0.472 nan 8.360 nan 0.000 0.449 688 A N 0.303 122.876 122.820 -0.412 0.000 1.908 688 A HA -0.221 4.139 4.320 0.066 0.000 0.218 688 A C 2.046 179.522 177.584 -0.180 0.000 1.181 688 A CA 1.575 53.468 52.037 -0.239 0.000 0.627 688 A CB -0.939 17.979 19.000 -0.137 0.000 0.818 688 A HN 0.567 nan 8.150 nan 0.000 0.445 689 Y N 0.421 120.558 120.300 -0.271 0.000 2.145 689 Y HA -0.197 4.393 4.550 0.066 0.000 0.286 689 Y C 2.412 178.187 175.900 -0.208 0.000 1.145 689 Y CA 2.329 60.303 58.100 -0.210 0.000 1.148 689 Y CB -0.257 38.095 38.460 -0.181 0.000 0.981 689 Y HN 0.295 nan 8.280 nan 0.000 0.507 690 K N -0.615 119.677 120.400 -0.181 0.000 2.113 690 K HA -0.249 4.111 4.320 0.066 0.000 0.208 690 K C 1.225 177.719 176.600 -0.177 0.000 1.047 690 K CA 2.151 58.305 56.287 -0.222 0.000 0.928 690 K CB -0.441 31.876 32.500 -0.305 0.000 0.716 690 K HN 0.595 nan 8.250 nan 0.000 0.446 691 H N -0.012 118.938 119.070 -0.200 0.000 2.536 691 H HA 0.175 4.771 4.556 0.066 0.000 0.276 691 H C 0.021 175.185 175.328 -0.272 0.000 1.019 691 H CA 0.210 56.135 56.048 -0.204 0.000 1.159 691 H CB 0.184 29.823 29.762 -0.206 0.000 1.373 691 H HN 0.128 nan 8.280 nan 0.000 0.584 692 L N -0.139 120.934 121.223 -0.250 0.000 4.351 692 L HA -0.257 4.123 4.340 0.066 0.000 0.410 692 L C -0.392 176.214 176.870 -0.440 0.000 1.150 692 L CA 0.536 55.135 54.840 -0.402 0.000 0.961 692 L CB -1.772 40.028 42.059 -0.432 0.000 2.130 692 L HN 0.269 nan 8.230 nan 0.000 0.787 693 K N 0.636 120.843 120.400 -0.321 0.000 2.098 693 K HA 0.540 4.900 4.320 0.066 0.000 0.261 693 K C -2.215 174.245 176.600 -0.234 0.000 0.987 693 K CA -1.798 54.318 56.287 -0.284 0.000 0.916 693 K CB 0.794 33.181 32.500 -0.187 0.000 1.039 693 K HN -0.233 nan 8.250 nan 0.000 0.455 694 P HA 0.100 nan 4.420 nan 0.000 0.268 694 P C -0.791 176.440 177.300 -0.115 0.000 1.205 694 P CA 0.298 63.294 63.100 -0.173 0.000 0.771 694 P CB 0.489 32.087 31.700 -0.170 0.000 0.858 695 I N 1.641 122.155 120.570 -0.094 0.000 2.582 695 I HA 0.633 4.843 4.170 0.066 0.000 0.292 695 I C -0.469 175.594 176.117 -0.089 0.000 1.066 695 I CA -0.893 60.371 61.300 -0.060 0.000 1.053 695 I CB 2.284 40.276 38.000 -0.012 0.000 1.241 695 I HN 0.260 nan 8.210 nan 0.000 0.421 696 A N 7.512 130.288 122.820 -0.073 0.000 2.343 696 A HA 0.878 5.238 4.320 0.066 0.000 0.308 696 A C -1.196 176.480 177.584 0.153 0.000 1.092 696 A CA -0.412 51.555 52.037 -0.116 0.000 0.751 696 A CB 1.035 19.839 19.000 -0.326 0.000 1.203 696 A HN 0.650 nan 8.150 nan 0.000 0.452 697 L N 2.176 123.548 121.223 0.249 0.000 2.376 697 L HA 0.749 5.128 4.340 0.066 0.000 0.275 697 L C 0.205 177.293 176.870 0.363 0.000 0.987 697 L CA -0.561 54.441 54.840 0.271 0.000 0.828 697 L CB 2.022 44.186 42.059 0.176 0.000 1.249 697 L HN 0.785 nan 8.230 nan 0.000 0.409 698 A N 2.212 125.150 122.820 0.197 0.000 2.337 698 A HA 0.881 5.241 4.320 0.066 0.000 0.329 698 A C 0.571 178.149 177.584 -0.011 0.000 1.146 698 A CA 0.233 52.250 52.037 -0.033 0.000 0.800 698 A CB 1.284 20.080 19.000 -0.340 0.000 1.220 698 A HN 0.984 nan 8.150 nan 0.000 0.472 699 G N 1.698 110.480 108.800 -0.031 0.000 2.596 699 G HA2 -0.324 3.675 3.960 0.066 0.000 0.295 699 G HA3 -0.324 3.675 3.960 0.066 0.000 0.295 699 G C 0.474 175.378 174.900 0.007 0.000 1.240 699 G CA 0.852 45.940 45.100 -0.020 0.000 0.985 699 G HN 0.723 nan 8.290 nan 0.000 0.555 700 D N 1.202 121.602 120.400 -0.000 0.000 2.350 700 D HA 0.218 4.897 4.640 0.066 0.000 0.216 700 D C 2.587 178.890 176.300 0.006 0.000 0.968 700 D CA 1.526 55.521 54.000 -0.009 0.000 0.894 700 D CB -0.651 40.134 40.800 -0.024 0.000 0.909 700 D HN 0.810 nan 8.370 nan 0.000 0.520 701 A N 0.421 123.284 122.820 0.072 0.000 2.131 701 A HA -0.187 4.173 4.320 0.066 0.000 0.220 701 A C 2.058 179.761 177.584 0.199 0.000 1.158 701 A CA 0.853 53.009 52.037 0.198 0.000 0.665 701 A CB -0.399 18.736 19.000 0.226 0.000 0.795 701 A HN 0.144 nan 8.150 nan 0.000 0.460 702 R N -0.428 120.132 120.500 0.100 0.000 2.241 702 R HA -0.077 4.302 4.340 0.066 0.000 0.224 702 R C 1.557 177.872 176.300 0.025 0.000 1.101 702 R CA 0.881 57.027 56.100 0.077 0.000 0.995 702 R CB -0.068 30.264 30.300 0.054 0.000 0.870 702 R HN 0.301 nan 8.270 nan 0.000 0.463 703 K N 0.012 120.382 120.400 -0.051 0.000 2.211 703 K HA -0.151 4.209 4.320 0.066 0.000 0.204 703 K C 1.566 178.062 176.600 -0.172 0.000 1.047 703 K CA 1.363 57.559 56.287 -0.152 0.000 0.935 703 K CB -0.244 32.091 32.500 -0.276 0.000 0.728 703 K HN 0.259 nan 8.250 nan 0.000 0.452 704 F N 1.400 121.326 119.950 -0.040 0.000 2.604 704 F HA -0.063 4.503 4.527 0.066 0.000 0.298 704 F C 2.097 177.848 175.800 -0.081 0.000 1.131 704 F CA 0.644 58.607 58.000 -0.061 0.000 1.457 704 F CB -0.036 38.927 39.000 -0.061 0.000 1.095 704 F HN -0.015 nan 8.300 nan 0.000 0.574 705 K N 0.365 120.818 120.400 0.088 0.000 2.127 705 K HA -0.249 4.111 4.320 0.066 0.000 0.208 705 K C 2.310 178.885 176.600 -0.042 0.000 1.047 705 K CA 1.251 57.539 56.287 0.001 0.000 0.927 705 K CB -0.395 32.103 32.500 -0.004 0.000 0.716 705 K HN 0.285 nan 8.250 nan 0.000 0.450 706 A N 0.849 123.650 122.820 -0.032 0.000 1.933 706 A HA -0.159 4.201 4.320 0.066 0.000 0.218 706 A C 2.137 179.691 177.584 -0.050 0.000 1.175 706 A CA 2.074 54.083 52.037 -0.047 0.000 0.628 706 A CB -0.893 18.077 19.000 -0.050 0.000 0.814 706 A HN 0.345 nan 8.150 nan 0.000 0.444 707 T N 0.692 115.235 114.554 -0.019 0.000 2.833 707 T HA -0.105 4.285 4.350 0.066 0.000 0.269 707 T C 1.491 176.121 174.700 -0.115 0.000 1.054 707 T CA 1.540 63.626 62.100 -0.024 0.000 1.135 707 T CB -0.542 68.357 68.868 0.051 0.000 0.869 707 T HN 0.766 nan 8.240 nan 0.000 0.466 708 I N -2.000 118.443 120.570 -0.211 0.000 3.941 708 I HA 0.450 4.659 4.170 0.066 0.000 0.335 708 I C -0.348 175.498 176.117 -0.451 0.000 1.402 708 I CA -0.748 60.273 61.300 -0.464 0.000 1.112 708 I CB -0.338 37.196 38.000 -0.778 0.000 1.043 708 I HN -0.066 nan 8.210 nan 0.000 0.395 709 K N 2.126 122.390 120.400 -0.227 0.000 3.419 709 K HA -0.119 4.241 4.320 0.066 0.000 0.272 709 K C -0.582 175.943 176.600 -0.124 0.000 0.973 709 K CA 0.338 56.541 56.287 -0.141 0.000 0.749 709 K CB -1.278 31.162 32.500 -0.100 0.000 1.403 709 K HN 0.353 nan 8.250 nan 0.000 0.456 710 I N 0.903 121.403 120.570 -0.116 0.000 2.342 710 I HA 0.299 4.509 4.170 0.066 0.000 0.291 710 I C 1.308 177.407 176.117 -0.030 0.000 1.010 710 I CA -0.840 60.424 61.300 -0.060 0.000 1.308 710 I CB 0.647 38.617 38.000 -0.049 0.000 1.400 710 I HN 0.334 nan 8.210 nan 0.000 0.488 711 A N 4.793 127.606 122.820 -0.011 0.000 2.366 711 A HA 0.172 4.532 4.320 0.066 0.000 0.249 711 A C 1.102 178.683 177.584 -0.004 0.000 1.084 711 A CA -0.244 51.788 52.037 -0.007 0.000 0.794 711 A CB 0.135 19.134 19.000 -0.001 0.000 1.034 711 A HN 0.756 nan 8.150 nan 0.000 0.491 712 D N -0.014 120.384 120.400 -0.004 0.000 2.133 712 D HA -0.189 4.490 4.640 0.066 0.000 0.192 712 D C 1.684 177.986 176.300 0.004 0.000 1.001 712 D CA 1.999 55.999 54.000 -0.001 0.000 0.844 712 D CB -0.141 40.658 40.800 -0.001 0.000 0.944 712 D HN 0.597 nan 8.370 nan 0.000 0.447 713 Q N -0.111 119.691 119.800 0.004 0.000 2.308 713 Q HA 0.061 4.441 4.340 0.066 0.000 0.209 713 Q C 0.989 176.994 176.000 0.007 0.000 0.985 713 Q CA 1.139 56.945 55.803 0.006 0.000 0.881 713 Q CB -0.456 28.285 28.738 0.005 0.000 0.917 713 Q HN 0.395 nan 8.270 nan 0.000 0.443 714 G N -0.097 108.708 108.800 0.007 0.000 2.660 714 G HA2 -0.197 3.803 3.960 0.066 0.000 0.247 714 G HA3 -0.197 3.803 3.960 0.066 0.000 0.247 714 G C -0.975 173.930 174.900 0.009 0.000 1.328 714 G CA -0.195 44.910 45.100 0.008 0.000 0.884 714 G HN 0.323 nan 8.290 nan 0.000 0.531 715 E N -0.585 119.620 120.200 0.008 0.000 2.378 715 E HA 0.448 4.838 4.350 0.066 0.000 0.283 715 E C -0.523 176.073 176.600 -0.007 0.000 0.979 715 E CA -0.561 55.846 56.400 0.012 0.000 0.795 715 E CB 1.109 30.834 29.700 0.042 0.000 1.221 715 E HN 0.634 nan 8.360 nan 0.000 0.428 716 E N 1.563 121.750 120.200 -0.021 0.000 2.480 716 E HA 0.250 4.639 4.350 0.066 0.000 0.258 716 E C 0.688 177.245 176.600 -0.072 0.000 0.984 716 E CA 1.564 57.936 56.400 -0.048 0.000 0.930 716 E CB 0.570 30.242 29.700 -0.047 0.000 0.936 716 E HN 0.840 nan 8.360 nan 0.000 0.466 717 G N 3.352 112.094 108.800 -0.095 0.000 2.195 717 G HA2 -0.199 3.801 3.960 0.066 0.000 0.224 717 G HA3 -0.199 3.801 3.960 0.066 0.000 0.224 717 G C 0.046 174.891 174.900 -0.093 0.000 0.990 717 G CA -0.502 44.521 45.100 -0.128 0.000 0.639 717 G HN 0.429 nan 8.290 nan 0.000 0.514 718 I N 2.080 122.619 120.570 -0.052 0.000 2.354 718 I HA 0.503 4.713 4.170 0.066 0.000 0.286 718 I C 0.462 176.530 176.117 -0.082 0.000 1.007 718 I CA -1.267 60.009 61.300 -0.040 0.000 1.167 718 I CB 1.220 39.230 38.000 0.017 0.000 1.320 718 I HN -0.098 nan 8.210 nan 0.000 0.458 719 V N 7.362 127.181 119.914 -0.159 0.000 2.509 719 V HA 0.460 4.619 4.120 0.066 0.000 0.284 719 V C 0.185 176.179 176.094 -0.166 0.000 1.047 719 V CA -0.458 61.690 62.300 -0.253 0.000 0.952 719 V CB 1.483 32.983 31.823 -0.538 0.000 0.988 719 V HN 0.871 nan 8.190 nan 0.000 0.469 720 E N 3.723 123.912 120.200 -0.020 0.000 2.390 720 E HA 0.888 5.278 4.350 0.066 0.000 0.277 720 E C -1.001 175.761 176.600 0.269 0.000 0.939 720 E CA -1.004 55.504 56.400 0.180 0.000 0.769 720 E CB 2.572 32.334 29.700 0.103 0.000 1.251 720 E HN 0.851 nan 8.360 nan 0.000 0.450 721 A N 1.453 124.462 122.820 0.315 0.000 2.540 721 A HA 0.354 4.713 4.320 0.066 0.000 0.291 721 A C -0.633 176.990 177.584 0.064 0.000 1.083 721 A CA -0.584 51.567 52.037 0.189 0.000 0.650 721 A CB 1.056 20.214 19.000 0.264 0.000 1.292 721 A HN 0.590 nan 8.150 nan 0.000 0.435 722 D N 0.467 120.876 120.400 0.015 0.000 2.178 722 D HA 0.041 4.720 4.640 0.066 0.000 0.201 722 D C 1.106 177.354 176.300 -0.087 0.000 0.980 722 D CA 2.330 56.315 54.000 -0.025 0.000 0.842 722 D CB 0.069 40.857 40.800 -0.020 0.000 0.948 722 D HN 0.802 nan 8.370 nan 0.000 0.472 723 S N -1.507 114.106 115.700 -0.145 0.000 2.651 723 S HA 0.695 5.204 4.470 0.066 0.000 0.279 723 S C -0.890 173.393 174.600 -0.528 0.000 1.148 723 S CA -0.902 57.141 58.200 -0.262 0.000 0.837 723 S CB 2.157 65.258 63.200 -0.164 0.000 1.138 723 S HN 0.027 nan 8.310 nan 0.000 0.478 724 A N 1.736 124.145 122.820 -0.685 0.000 2.376 724 A HA 0.590 4.950 4.320 0.066 0.000 0.298 724 A C -0.148 177.255 177.584 -0.302 0.000 1.271 724 A CA -0.237 51.249 52.037 -0.918 0.000 0.926 724 A CB -1.267 17.349 19.000 -0.640 0.000 1.141 724 A HN 0.879 nan 8.150 nan 0.000 0.539 725 D N 1.235 121.574 120.400 -0.103 0.000 2.758 725 D HA 0.560 5.239 4.640 0.066 0.000 0.262 725 D C 1.312 177.665 176.300 0.089 0.000 1.113 725 D CA 0.046 54.047 54.000 0.003 0.000 1.114 725 D CB -0.060 40.743 40.800 0.005 0.000 1.363 725 D HN 0.180 nan 8.370 nan 0.000 0.617 726 G N -0.555 108.282 108.800 0.061 0.000 2.459 726 G HA2 -0.300 3.700 3.960 0.066 0.000 0.217 726 G HA3 -0.300 3.700 3.960 0.066 0.000 0.217 726 G C 1.537 176.487 174.900 0.084 0.000 1.183 726 G CA 1.398 46.535 45.100 0.062 0.000 0.776 726 G HN 0.427 nan 8.290 nan 0.000 0.552 727 S N -0.323 115.430 115.700 0.089 0.000 2.356 727 S HA -0.121 4.388 4.470 0.066 0.000 0.223 727 S C 2.064 176.740 174.600 0.127 0.000 1.032 727 S CA 1.507 59.760 58.200 0.088 0.000 1.005 727 S CB -0.433 62.813 63.200 0.077 0.000 0.867 727 S HN 0.368 nan 8.310 nan 0.000 0.449 728 F N 1.880 121.828 119.950 -0.004 0.000 2.069 728 F HA -0.110 4.456 4.527 0.066 0.000 0.298 728 F C 2.141 177.937 175.800 -0.007 0.000 1.113 728 F CA 1.777 59.774 58.000 -0.005 0.000 1.214 728 F CB -0.318 38.680 39.000 -0.003 0.000 0.978 728 F HN 0.200 nan 8.300 nan 0.000 0.474 729 M N 0.195 119.970 119.600 0.291 0.000 2.213 729 M HA -0.177 4.343 4.480 0.066 0.000 0.263 729 M C 1.758 178.071 176.300 0.023 0.000 1.062 729 M CA 1.348 56.730 55.300 0.137 0.000 1.105 729 M CB -1.373 31.315 32.600 0.147 0.000 1.385 729 M HN 0.143 nan 8.290 nan 0.000 0.417 730 D N 0.330 120.747 120.400 0.027 0.000 2.117 730 D HA -0.121 4.558 4.640 0.066 0.000 0.198 730 D C 2.001 178.280 176.300 -0.036 0.000 0.982 730 D CA 1.093 55.093 54.000 0.000 0.000 0.828 730 D CB -0.091 40.715 40.800 0.010 0.000 0.967 730 D HN 0.461 nan 8.370 nan 0.000 0.464 731 E N 0.482 120.645 120.200 -0.060 0.000 2.051 731 E HA -0.125 4.265 4.350 0.066 0.000 0.192 731 E C 2.155 178.675 176.600 -0.134 0.000 0.991 731 E CA 0.224 56.566 56.400 -0.097 0.000 0.799 731 E CB -0.059 29.566 29.700 -0.125 0.000 0.748 731 E HN 0.158 nan 8.360 nan 0.000 0.449 732 L N 1.082 122.191 121.223 -0.189 0.000 2.012 732 L HA -0.204 4.175 4.340 0.066 0.000 0.210 732 L C 2.233 179.038 176.870 -0.110 0.000 1.073 732 L CA 1.612 56.339 54.840 -0.188 0.000 0.748 732 L CB -0.443 41.473 42.059 -0.238 0.000 0.891 732 L HN 0.251 nan 8.230 nan 0.000 0.431 733 L N -0.590 120.590 121.223 -0.072 0.000 2.131 733 L HA -0.228 4.151 4.340 0.066 0.000 0.210 733 L C 2.485 179.330 176.870 -0.042 0.000 1.092 733 L CA 1.601 56.414 54.840 -0.044 0.000 0.759 733 L CB -0.728 41.317 42.059 -0.024 0.000 0.903 733 L HN 0.285 nan 8.230 nan 0.000 0.435 734 T N 0.192 114.718 114.554 -0.047 0.000 2.708 734 T HA -0.166 4.224 4.350 0.066 0.000 0.266 734 T C 1.943 176.610 174.700 -0.055 0.000 1.037 734 T CA 1.299 63.375 62.100 -0.040 0.000 1.146 734 T CB -0.264 68.581 68.868 -0.038 0.000 0.865 734 T HN 0.187 nan 8.240 nan 0.000 0.435 735 L N 0.384 121.555 121.223 -0.087 0.000 2.012 735 L HA -0.129 4.251 4.340 0.066 0.000 0.210 735 L C 2.735 179.536 176.870 -0.114 0.000 1.073 735 L CA 1.454 56.222 54.840 -0.120 0.000 0.748 735 L CB -0.621 41.346 42.059 -0.154 0.000 0.891 735 L HN 0.303 nan 8.230 nan 0.000 0.431 736 M N -0.672 118.876 119.600 -0.087 0.000 2.213 736 M HA -0.174 4.346 4.480 0.066 0.000 0.263 736 M C 2.445 178.742 176.300 -0.005 0.000 1.062 736 M CA 1.659 56.926 55.300 -0.056 0.000 1.105 736 M CB -0.534 32.044 32.600 -0.036 0.000 1.385 736 M HN 0.335 nan 8.290 nan 0.000 0.417 737 A N 0.268 123.087 122.820 -0.001 0.000 2.019 737 A HA 0.061 4.420 4.320 0.066 0.000 0.219 737 A C 2.130 179.752 177.584 0.063 0.000 1.164 737 A CA 1.663 53.720 52.037 0.033 0.000 0.644 737 A CB -0.588 18.426 19.000 0.023 0.000 0.805 737 A HN 0.501 nan 8.150 nan 0.000 0.449 738 A N -2.622 120.212 122.820 0.024 0.000 2.307 738 A HA 0.379 4.738 4.320 0.066 0.000 0.218 738 A C 0.888 178.487 177.584 0.026 0.000 1.228 738 A CA 1.178 53.242 52.037 0.045 0.000 0.857 738 A CB -0.454 18.535 19.000 -0.017 0.000 0.897 738 A HN 0.969 nan 8.150 nan 0.000 0.495 739 H N -1.261 117.745 119.070 -0.108 0.000 4.823 739 H HA -0.183 4.413 4.556 0.066 0.000 0.064 739 H C 0.081 175.185 175.328 -0.373 0.000 0.599 739 H CA 2.366 58.336 56.048 -0.131 0.000 0.956 739 H CB -0.613 29.179 29.762 0.050 0.000 0.432 739 H HN 0.454 nan 8.280 nan 0.000 0.798 740 R N -0.360 119.557 120.500 -0.972 0.000 2.855 740 R HA 0.641 5.020 4.340 0.066 0.000 0.266 740 R C -0.671 174.777 176.300 -1.420 0.000 1.034 740 R CA -0.295 54.996 56.100 -1.349 0.000 0.944 740 R CB 1.690 30.846 30.300 -1.906 0.000 1.219 740 R HN 0.070 nan 8.270 nan 0.000 0.474 741 V N 2.167 121.455 119.914 -1.044 0.000 2.184 741 V HA 0.127 4.286 4.120 0.066 0.000 0.262 741 V C 0.619 176.341 176.094 -0.621 0.000 1.209 741 V CA -0.473 61.406 62.300 -0.701 0.000 1.070 741 V CB -0.141 31.409 31.823 -0.455 0.000 1.244 741 V HN 0.710 nan 8.190 nan 0.000 0.477 742 W N 1.537 122.558 121.300 -0.465 0.000 2.374 742 W HA -0.186 4.513 4.660 0.066 0.000 0.288 742 W C 2.568 178.878 176.519 -0.348 0.000 1.218 742 W CA 0.973 57.955 57.345 -0.604 0.000 1.245 742 W CB -0.362 28.349 29.460 -1.249 0.000 1.126 742 W HN 0.647 nan 8.180 nan 0.000 0.545 743 S N 0.822 116.472 115.700 -0.084 0.000 2.500 743 S HA -0.176 4.333 4.470 0.066 0.000 0.239 743 S C 1.717 176.279 174.600 -0.063 0.000 0.989 743 S CA 1.027 59.201 58.200 -0.042 0.000 0.951 743 S CB -0.432 62.743 63.200 -0.042 0.000 0.759 743 S HN 0.421 nan 8.310 nan 0.000 0.523 744 R N 0.587 121.007 120.500 -0.134 0.000 2.275 744 R HA 0.256 4.636 4.340 0.066 0.000 0.199 744 R C 1.808 178.043 176.300 -0.108 0.000 0.989 744 R CA 0.423 56.424 56.100 -0.165 0.000 1.016 744 R CB -0.364 29.720 30.300 -0.360 0.000 0.918 744 R HN 0.483 nan 8.270 nan 0.000 0.473 745 I N 1.879 122.424 120.570 -0.041 0.000 2.185 745 I HA -0.247 3.963 4.170 0.066 0.000 0.246 745 I C -0.814 175.332 176.117 0.047 0.000 1.088 745 I CA 1.407 62.727 61.300 0.034 0.000 1.347 745 I CB -0.903 37.172 38.000 0.125 0.000 1.041 745 I HN 0.179 nan 8.210 nan 0.000 0.415 746 P HA -0.165 nan 4.420 nan 0.000 0.219 746 P C 1.203 178.536 177.300 0.054 0.000 1.146 746 P CA 1.448 64.581 63.100 0.054 0.000 0.808 746 P CB -0.071 31.658 31.700 0.048 0.000 0.779 747 K N -0.510 119.919 120.400 0.048 0.000 2.418 747 K HA 0.062 4.421 4.320 0.066 0.000 0.195 747 K C 1.876 178.549 176.600 0.122 0.000 1.035 747 K CA 0.564 56.905 56.287 0.090 0.000 1.003 747 K CB -0.300 32.279 32.500 0.131 0.000 0.793 747 K HN 0.303 nan 8.250 nan 0.000 0.494 748 I N -2.588 118.024 120.570 0.070 0.000 3.427 748 I HA 0.011 4.221 4.170 0.066 0.000 0.288 748 I C 1.050 177.214 176.117 0.077 0.000 1.249 748 I CA 0.674 62.018 61.300 0.074 0.000 1.421 748 I CB 0.079 38.077 38.000 -0.003 0.000 1.086 748 I HN -0.176 nan 8.210 nan 0.000 0.448 749 D N 2.479 122.924 120.400 0.076 0.000 2.158 749 D HA -0.185 4.494 4.640 0.066 0.000 0.197 749 D C 2.024 178.365 176.300 0.068 0.000 0.995 749 D CA 1.494 55.539 54.000 0.075 0.000 0.846 749 D CB -0.002 40.842 40.800 0.074 0.000 0.941 749 D HN 0.473 nan 8.370 nan 0.000 0.456 750 K N -0.121 120.319 120.400 0.068 0.000 2.243 750 K HA 0.020 4.380 4.320 0.066 0.000 0.201 750 K C 0.867 177.498 176.600 0.053 0.000 1.051 750 K CA -0.128 56.193 56.287 0.056 0.000 0.970 750 K CB 0.279 32.810 32.500 0.051 0.000 0.755 750 K HN 0.160 nan 8.250 nan 0.000 0.465 751 I N 2.312 122.922 120.570 0.066 0.000 2.598 751 I HA 0.088 4.297 4.170 0.066 0.000 0.284 751 I C -2.593 173.553 176.117 0.048 0.000 1.140 751 I CA -2.508 58.823 61.300 0.052 0.000 1.420 751 I CB 0.055 38.097 38.000 0.070 0.000 1.387 751 I HN -0.072 nan 8.210 nan 0.000 0.553 752 P HA 0.512 nan 4.420 nan 0.000 0.247 752 P C -0.714 176.642 177.300 0.093 0.000 1.756 752 P CA -0.089 63.045 63.100 0.057 0.000 1.117 752 P CB 0.223 31.951 31.700 0.046 0.000 1.869 753 A N 0.000 122.875 122.820 0.092 0.000 2.254 753 A HA 0.000 4.360 4.320 0.066 0.000 0.244 753 A CA 0.000 52.135 52.037 0.163 0.000 0.836 753 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486