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 2j4c_1_A DATA FIRST_RESID 4 DATA SEQUENCE IIIATKNGKV RGMQLTVFGG TVTAFLGIPY AQPPLGRLRF KKPQSLTKWS DATA SEQUENCE DIWNATKYAN ScXQNIDQSF PGFHGSEMWN PNTDLSEDcL YLNVWIPAPK DATA SEQUENCE PKNATVLIWI YGGGFQTGTS SLHVYDGKFL ARVERVIVVS MNYRVGALGF DATA SEQUENCE LALPGNPEAP GNMGLFDQQL ALQWVQKNIA AFGGNPKSVT LFGESAGAAS DATA SEQUENCE VSLHLLSPGS HSLFTRAILQ SGSFNAPWAV TSLYEARNRT LNLAKLTGcS DATA SEQUENCE RENETEIIKc LRNKDPQEIL LNEAFVVPYG TPLSVNFGPT VDGDFLTDMP DATA SEQUENCE DILLELGQFK KTQILVGVNK DEGTAFLVYG APGFSKDNNS IITRKEFQEG DATA SEQUENCE LKIFFPGVSE FGKESILFHY TDWVXXQRPE NYREALGDVV GDYNFIcPAL DATA SEQUENCE EFTKKFSEWG NNAFFYYFEH RSSKLPWPEW MGVMHGYEIE FVFGLPLERR DATA SEQUENCE DQYTKAEEIL SRSIVKRWAN FAKYGNPQET QNASTSWPVF KSTEQKYLTL DATA SEQUENCE NTESTRIMTK LRAQQcRFWT SFFPKV 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.198 176.117 0.135 0.000 1.063 4 I CA 0.000 61.343 61.300 0.071 0.000 1.566 4 I CB 0.000 38.002 38.000 0.004 0.000 1.214 5 I N 5.340 126.004 120.570 0.157 0.000 2.478 5 I HA 0.552 4.722 4.170 -0.000 0.000 0.287 5 I C -0.497 175.692 176.117 0.121 0.000 1.042 5 I CA -0.596 60.821 61.300 0.195 0.000 1.067 5 I CB 2.558 40.638 38.000 0.134 0.000 1.233 5 I HN 0.401 nan 8.210 nan 0.000 0.431 6 I N 4.957 125.582 120.570 0.092 0.000 2.441 6 I HA 0.506 4.676 4.170 -0.000 0.000 0.295 6 I C 0.295 176.312 176.117 -0.166 0.000 0.994 6 I CA -0.733 60.443 61.300 -0.207 0.000 1.144 6 I CB 2.097 39.627 38.000 -0.784 0.000 1.314 6 I HN 0.587 nan 8.210 nan 0.000 0.445 7 A N 4.779 127.495 122.820 -0.174 0.000 2.310 7 A HA 0.521 4.841 4.320 -0.000 0.000 0.300 7 A C 0.301 177.779 177.584 -0.177 0.000 1.269 7 A CA -0.327 51.632 52.037 -0.130 0.000 0.909 7 A CB 0.031 18.970 19.000 -0.103 0.000 1.144 7 A HN 0.768 nan 8.150 nan 0.000 0.540 8 T N -0.052 114.412 114.554 -0.149 0.000 2.912 8 T HA 0.345 4.695 4.350 -0.000 0.000 0.280 8 T C 0.844 175.412 174.700 -0.220 0.000 0.989 8 T CA -0.742 61.265 62.100 -0.155 0.000 0.995 8 T CB 0.860 69.728 68.868 -0.001 0.000 1.077 8 T HN 0.471 nan 8.240 nan 0.000 0.531 9 K N 0.822 121.089 120.400 -0.222 0.000 2.442 9 K HA -0.070 4.250 4.320 -0.000 0.000 0.199 9 K C 0.541 177.006 176.600 -0.225 0.000 1.044 9 K CA 0.973 57.140 56.287 -0.200 0.000 0.941 9 K CB -0.276 32.114 32.500 -0.183 0.000 0.759 9 K HN 0.501 nan 8.250 nan 0.000 0.472 10 N N -0.720 117.778 118.700 -0.337 0.000 2.159 10 N HA 0.118 4.857 4.740 -0.000 0.000 0.217 10 N C -0.099 174.747 175.510 -1.108 0.000 1.223 10 N CA 0.385 53.137 53.050 -0.497 0.000 0.896 10 N CB 1.791 40.094 38.487 -0.306 0.000 1.064 10 N HN 0.249 nan 8.380 nan 0.000 0.518 11 G N -0.190 108.004 108.800 -1.009 0.000 2.361 11 G HA2 0.064 4.024 3.960 -0.000 0.000 0.305 11 G HA3 0.064 4.024 3.960 -0.000 0.000 0.305 11 G C -1.628 172.992 174.900 -0.466 0.000 1.367 11 G CA -1.039 43.379 45.100 -1.137 0.000 0.951 11 G HN 0.025 nan 8.290 nan 0.000 0.615 12 K N -0.939 119.444 120.400 -0.029 0.000 2.098 12 K HA 0.734 5.054 4.320 -0.000 0.000 0.257 12 K C 0.102 177.030 176.600 0.547 0.000 0.999 12 K CA -0.564 55.846 56.287 0.206 0.000 0.924 12 K CB 2.084 34.693 32.500 0.182 0.000 1.028 12 K HN 1.320 nan 8.250 nan 0.000 0.466 13 V N -1.466 118.732 119.914 0.473 0.000 2.808 13 V HA 0.513 4.633 4.120 -0.000 0.000 0.308 13 V C -1.152 175.260 176.094 0.530 0.000 1.099 13 V CA -1.062 61.609 62.300 0.618 0.000 0.920 13 V CB 1.829 34.063 31.823 0.685 0.000 1.014 13 V HN 0.813 nan 8.190 nan 0.000 0.425 14 R N 2.948 123.711 120.500 0.438 0.000 2.255 14 R HA 0.699 5.039 4.340 -0.000 0.000 0.326 14 R C 0.534 176.911 176.300 0.128 0.000 0.986 14 R CA 0.297 56.552 56.100 0.258 0.000 0.847 14 R CB 1.335 31.720 30.300 0.142 0.000 1.111 14 R HN 1.183 nan 8.270 nan 0.000 0.452 15 G N 3.577 112.267 108.800 -0.182 0.000 2.582 15 G HA2 0.415 4.375 3.960 -0.000 0.000 0.232 15 G HA3 0.415 4.375 3.960 -0.000 0.000 0.232 15 G C -0.265 174.390 174.900 -0.409 0.000 1.458 15 G CA -0.507 44.117 45.100 -0.794 0.000 1.062 15 G HN 0.663 nan 8.290 nan 0.000 0.566 16 M N -1.776 117.563 119.600 -0.435 0.000 2.373 16 M HA 0.426 4.906 4.480 -0.000 0.000 0.290 16 M C -1.667 174.515 176.300 -0.196 0.000 1.143 16 M CA -1.003 54.157 55.300 -0.234 0.000 0.949 16 M CB 2.275 34.762 32.600 -0.188 0.000 1.756 16 M HN 0.268 nan 8.290 nan 0.000 0.494 17 Q N 2.998 122.728 119.800 -0.118 0.000 2.260 17 Q HA 0.770 5.110 4.340 -0.000 0.000 0.242 17 Q C -0.973 174.992 176.000 -0.059 0.000 0.932 17 Q CA -0.286 55.473 55.803 -0.073 0.000 0.891 17 Q CB 2.189 30.901 28.738 -0.043 0.000 1.222 17 Q HN 0.821 nan 8.270 nan 0.000 0.453 18 L N 0.060 121.258 121.223 -0.041 0.000 2.327 18 L HA 0.561 4.901 4.340 -0.000 0.000 0.258 18 L C -0.347 176.493 176.870 -0.051 0.000 1.024 18 L CA -0.870 53.942 54.840 -0.046 0.000 0.825 18 L CB 2.374 44.406 42.059 -0.044 0.000 1.386 18 L HN 0.442 nan 8.230 nan 0.000 0.417 19 T N 1.461 115.979 114.554 -0.061 0.000 2.772 19 T HA 0.601 4.950 4.350 -0.000 0.000 0.288 19 T C -0.558 174.079 174.700 -0.105 0.000 0.994 19 T CA -0.415 61.654 62.100 -0.052 0.000 0.951 19 T CB 1.372 70.229 68.868 -0.019 0.000 0.933 19 T HN 0.229 nan 8.240 nan 0.000 0.447 20 V N 3.892 123.721 119.914 -0.141 0.000 2.623 20 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 20 V C -0.181 175.830 176.094 -0.139 0.000 1.054 20 V CA -1.291 60.811 62.300 -0.330 0.000 0.882 20 V CB 0.862 32.339 31.823 -0.576 0.000 1.002 20 V HN 1.073 nan 8.190 nan 0.000 0.424 21 F N 2.893 122.894 119.950 0.085 0.000 2.635 21 F HA -0.225 4.302 4.527 -0.000 0.000 0.228 21 F C 1.580 177.410 175.800 0.050 0.000 1.029 21 F CA 0.588 58.631 58.000 0.073 0.000 0.907 21 F CB -0.925 38.127 39.000 0.087 0.000 0.893 21 F HN 1.080 nan 8.300 nan 0.000 0.845 22 G N 0.755 109.674 108.800 0.197 0.000 2.395 22 G HA2 0.116 4.076 3.960 -0.000 0.000 0.300 22 G HA3 0.116 4.076 3.960 -0.000 0.000 0.300 22 G C 0.439 175.396 174.900 0.095 0.000 0.998 22 G CA 0.386 45.558 45.100 0.119 0.000 1.046 22 G HN 1.648 nan 8.290 nan 0.000 0.513 23 G N -2.237 106.607 108.800 0.073 0.000 2.554 23 G HA2 0.807 4.767 3.960 -0.000 0.000 0.306 23 G HA3 0.807 4.767 3.960 -0.000 0.000 0.306 23 G C -0.883 174.030 174.900 0.022 0.000 1.320 23 G CA 0.383 45.515 45.100 0.053 0.000 0.800 23 G HN 0.731 nan 8.290 nan 0.000 0.481 24 T N -0.710 113.857 114.554 0.022 0.000 2.907 24 T HA 0.701 5.051 4.350 -0.000 0.000 0.292 24 T C -1.066 173.645 174.700 0.018 0.000 1.043 24 T CA -0.353 61.752 62.100 0.009 0.000 1.003 24 T CB 1.958 70.835 68.868 0.016 0.000 1.084 24 T HN 0.614 nan 8.240 nan 0.000 0.483 25 V N 2.195 122.118 119.914 0.014 0.000 2.686 25 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 25 V C -0.140 175.999 176.094 0.074 0.000 1.065 25 V CA -0.869 61.465 62.300 0.057 0.000 0.894 25 V CB 2.381 34.221 31.823 0.029 0.000 1.004 25 V HN 1.011 nan 8.190 nan 0.000 0.424 26 T N 3.699 118.326 114.554 0.122 0.000 2.882 26 T HA 0.742 5.092 4.350 -0.000 0.000 0.287 26 T C -0.024 174.719 174.700 0.071 0.000 0.992 26 T CA -0.233 61.901 62.100 0.056 0.000 1.076 26 T CB 1.539 70.488 68.868 0.136 0.000 0.961 26 T HN 1.017 nan 8.240 nan 0.000 0.490 27 A N 2.366 125.078 122.820 -0.179 0.000 2.359 27 A HA 0.713 5.033 4.320 -0.000 0.000 0.303 27 A C -1.089 176.228 177.584 -0.445 0.000 1.066 27 A CA -0.750 51.131 52.037 -0.259 0.000 0.730 27 A CB 0.615 19.463 19.000 -0.253 0.000 1.211 27 A HN 0.727 nan 8.150 nan 0.000 0.439 28 F N 3.289 123.101 119.950 -0.229 0.000 2.334 28 F HA 0.352 4.879 4.527 -0.000 0.000 0.343 28 F C 0.102 175.737 175.800 -0.275 0.000 1.136 28 F CA -0.514 57.417 58.000 -0.114 0.000 1.237 28 F CB 0.529 39.575 39.000 0.076 0.000 1.525 28 F HN 0.386 nan 8.300 nan 0.000 0.528 29 L N 1.669 122.736 121.223 -0.258 0.000 2.416 29 L HA 0.408 4.748 4.340 -0.000 0.000 0.272 29 L C 1.307 178.106 176.870 -0.119 0.000 1.161 29 L CA -0.081 54.535 54.840 -0.373 0.000 0.845 29 L CB 0.381 42.061 42.059 -0.631 0.000 1.119 29 L HN 0.818 nan 8.230 nan 0.000 0.464 30 G N 3.434 112.206 108.800 -0.047 0.000 2.198 30 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 30 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 30 G C 0.051 175.074 174.900 0.206 0.000 1.042 30 G CA -0.343 44.817 45.100 0.100 0.000 0.791 30 G HN 0.505 nan 8.290 nan 0.000 0.502 31 I N 2.162 122.748 120.570 0.028 0.000 2.556 31 I HA 0.209 4.379 4.170 -0.000 0.000 0.284 31 I C -1.137 174.845 176.117 -0.226 0.000 1.114 31 I CA -1.848 59.340 61.300 -0.186 0.000 1.418 31 I CB 0.887 38.736 38.000 -0.250 0.000 1.394 31 I HN 0.020 nan 8.210 nan 0.000 0.552 32 P HA 0.076 nan 4.420 nan 0.000 0.277 32 P C -0.894 176.144 177.300 -0.436 0.000 1.240 32 P CA 0.116 62.763 63.100 -0.755 0.000 0.798 32 P CB 0.747 31.888 31.700 -0.932 0.000 0.979 33 Y N -0.148 119.881 120.300 -0.451 0.000 2.666 33 Y HA 0.747 5.297 4.550 -0.000 0.000 0.260 33 Y C -0.299 175.545 175.900 -0.093 0.000 1.089 33 Y CA -0.557 57.388 58.100 -0.258 0.000 1.246 33 Y CB 0.180 38.402 38.460 -0.396 0.000 1.353 33 Y HN 0.519 nan 8.280 nan 0.000 0.558 34 A N 0.643 123.173 122.820 -0.483 0.000 2.602 34 A HA 0.500 4.820 4.320 -0.000 0.000 0.290 34 A C -1.591 175.829 177.584 -0.274 0.000 1.114 34 A CA -1.009 50.850 52.037 -0.296 0.000 0.683 34 A CB 1.228 20.013 19.000 -0.357 0.000 1.281 34 A HN 0.255 nan 8.150 nan 0.000 0.416 35 Q N 0.616 120.329 119.800 -0.146 0.000 2.296 35 Q HA 0.369 4.709 4.340 -0.000 0.000 0.262 35 Q C -2.323 173.599 176.000 -0.130 0.000 0.981 35 Q CA -1.712 54.028 55.803 -0.105 0.000 0.905 35 Q CB 0.409 29.121 28.738 -0.043 0.000 1.186 35 Q HN 0.364 nan 8.270 nan 0.000 0.399 36 P HA -0.085 nan 4.420 nan 0.000 0.257 36 P C -2.421 174.834 177.300 -0.076 0.000 1.162 36 P CA -0.455 62.591 63.100 -0.090 0.000 0.762 36 P CB 0.166 31.850 31.700 -0.027 0.000 0.753 37 P HA 0.083 nan 4.420 nan 0.000 0.225 37 P C -0.641 176.603 177.300 -0.094 0.000 1.768 37 P CA 0.348 63.396 63.100 -0.086 0.000 0.943 37 P CB -0.174 31.468 31.700 -0.096 0.000 1.936 38 L N -1.056 120.125 121.223 -0.069 0.000 2.358 38 L HA 0.688 5.028 4.340 -0.000 0.000 0.268 38 L C 1.742 178.579 176.870 -0.055 0.000 1.032 38 L CA -0.474 54.326 54.840 -0.067 0.000 0.805 38 L CB 0.105 42.140 42.059 -0.041 0.000 1.253 38 L HN 0.263 nan 8.230 nan 0.000 0.452 39 G N 1.586 110.353 108.800 -0.054 0.000 2.672 39 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.332 39 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.332 39 G C 1.005 175.893 174.900 -0.020 0.000 1.213 39 G CA 1.047 46.128 45.100 -0.031 0.000 0.980 39 G HN 0.913 nan 8.290 nan 0.000 0.548 40 R N 0.861 121.358 120.500 -0.005 0.000 2.189 40 R HA 0.302 4.642 4.340 -0.000 0.000 0.223 40 R C 2.501 178.806 176.300 0.010 0.000 1.092 40 R CA 1.611 57.718 56.100 0.011 0.000 0.989 40 R CB -0.365 29.941 30.300 0.011 0.000 0.876 40 R HN 0.496 nan 8.270 nan 0.000 0.457 41 L N 1.002 122.217 121.223 -0.014 0.000 2.558 41 L HA 0.141 4.481 4.340 -0.000 0.000 0.225 41 L C 1.284 178.123 176.870 -0.051 0.000 1.128 41 L CA -0.173 54.654 54.840 -0.023 0.000 0.868 41 L CB -0.283 41.755 42.059 -0.034 0.000 1.006 41 L HN 0.176 nan 8.230 nan 0.000 0.454 42 R N 0.560 120.999 120.500 -0.101 0.000 2.522 42 R HA -0.077 4.263 4.340 -0.000 0.000 0.284 42 R C 0.049 176.246 176.300 -0.171 0.000 1.032 42 R CA 0.249 56.181 56.100 -0.281 0.000 1.049 42 R CB 0.194 30.225 30.300 -0.449 0.000 0.956 42 R HN 0.089 nan 8.270 nan 0.000 0.422 43 F N -0.030 119.898 119.950 -0.036 0.000 2.619 43 F HA -0.284 4.243 4.527 -0.000 0.000 0.425 43 F C 0.053 175.834 175.800 -0.033 0.000 0.575 43 F CA 1.080 59.058 58.000 -0.037 0.000 1.289 43 F CB -1.314 37.667 39.000 -0.031 0.000 1.859 43 F HN 0.589 nan 8.300 nan 0.000 0.280 44 K N 1.648 122.106 120.400 0.096 0.000 2.098 44 K HA 0.378 4.698 4.320 -0.000 0.000 0.261 44 K C 0.515 177.115 176.600 -0.001 0.000 0.987 44 K CA -0.962 55.349 56.287 0.041 0.000 0.916 44 K CB 1.002 33.512 32.500 0.018 0.000 1.039 44 K HN -0.044 nan 8.250 nan 0.000 0.455 45 K N 2.670 123.044 120.400 -0.044 0.000 2.494 45 K HA -0.002 4.318 4.320 -0.000 0.000 0.273 45 K C -2.176 174.399 176.600 -0.041 0.000 0.970 45 K CA -0.918 55.319 56.287 -0.084 0.000 0.963 45 K CB -0.192 32.138 32.500 -0.284 0.000 0.913 45 K HN 0.416 nan 8.250 nan 0.000 0.502 46 P HA -0.039 nan 4.420 nan 0.000 0.267 46 P C -0.715 176.586 177.300 0.002 0.000 1.209 46 P CA 0.199 63.305 63.100 0.011 0.000 0.763 46 P CB 0.670 32.414 31.700 0.073 0.000 0.816 47 Q N 1.524 121.315 119.800 -0.014 0.000 2.259 47 Q HA 0.220 4.560 4.340 -0.000 0.000 0.246 47 Q C 0.884 176.892 176.000 0.013 0.000 0.920 47 Q CA -0.322 55.478 55.803 -0.005 0.000 0.895 47 Q CB 0.908 29.640 28.738 -0.011 0.000 1.220 47 Q HN 0.586 nan 8.270 nan 0.000 0.439 48 S N 0.976 116.694 115.700 0.030 0.000 2.572 48 S HA 0.101 4.571 4.470 -0.000 0.000 0.262 48 S C 0.187 174.815 174.600 0.047 0.000 1.375 48 S CA -0.546 57.686 58.200 0.053 0.000 0.996 48 S CB 0.324 63.553 63.200 0.050 0.000 0.892 48 S HN 0.483 nan 8.310 nan 0.000 0.562 49 L N 0.812 122.079 121.223 0.073 0.000 2.360 49 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 49 L C 0.163 177.093 176.870 0.101 0.000 1.057 49 L CA 0.063 54.953 54.840 0.085 0.000 0.803 49 L CB 1.453 43.587 42.059 0.126 0.000 1.207 49 L HN 0.895 nan 8.230 nan 0.000 0.445 50 T N 4.177 118.805 114.554 0.123 0.000 2.729 50 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 50 T C -0.201 174.610 174.700 0.184 0.000 0.928 50 T CA -0.536 61.639 62.100 0.126 0.000 1.045 50 T CB 0.123 69.064 68.868 0.121 0.000 0.902 50 T HN 0.640 nan 8.240 nan 0.000 0.500 51 K N 2.852 123.314 120.400 0.104 0.000 2.542 51 K HA 0.144 4.464 4.320 -0.000 0.000 0.276 51 K C -0.329 176.381 176.600 0.183 0.000 0.963 51 K CA -0.270 56.042 56.287 0.042 0.000 0.975 51 K CB 0.432 32.903 32.500 -0.048 0.000 0.901 51 K HN 0.697 nan 8.250 nan 0.000 0.506 52 W N 0.568 121.924 121.300 0.094 0.000 2.975 52 W HA 0.603 5.262 4.660 -0.000 0.000 0.342 52 W C -1.232 175.357 176.519 0.116 0.000 1.168 52 W CA -1.150 56.268 57.345 0.122 0.000 1.141 52 W CB 1.002 30.579 29.460 0.194 0.000 1.445 52 W HN 0.605 nan 8.180 nan 0.000 0.560 53 S N 0.858 116.825 115.700 0.445 0.000 2.677 53 S HA 0.571 5.041 4.470 -0.000 0.000 0.304 53 S C -0.907 173.939 174.600 0.410 0.000 1.108 53 S CA -0.156 58.226 58.200 0.303 0.000 0.944 53 S CB 0.827 64.128 63.200 0.168 0.000 1.127 53 S HN 0.833 nan 8.310 nan 0.000 0.511 54 D N 1.138 121.703 120.400 0.275 0.000 5.148 54 D HA -0.161 4.479 4.640 -0.000 0.000 0.234 54 D C -0.441 176.051 176.300 0.321 0.000 1.348 54 D CA 0.471 54.608 54.000 0.228 0.000 1.228 54 D CB -0.808 40.084 40.800 0.154 0.000 0.664 54 D HN 0.680 nan 8.370 nan 0.000 0.328 55 I N 3.122 123.857 120.570 0.276 0.000 3.450 55 I HA -0.228 3.942 4.170 -0.000 0.000 0.336 55 I C 1.211 177.521 176.117 0.321 0.000 1.252 55 I CA 0.669 62.162 61.300 0.321 0.000 1.427 55 I CB 0.056 38.175 38.000 0.198 0.000 1.367 55 I HN 0.272 nan 8.210 nan 0.000 0.485 56 W N 8.176 129.657 121.300 0.302 0.000 2.266 56 W HA 0.122 4.782 4.660 -0.000 0.000 0.317 56 W C -0.167 176.404 176.519 0.086 0.000 1.310 56 W CA -0.590 56.787 57.345 0.053 0.000 1.207 56 W CB 0.390 29.757 29.460 -0.154 0.000 1.199 56 W HN 0.456 nan 8.180 nan 0.000 0.544 57 N N 5.001 123.530 118.700 -0.285 0.000 2.602 57 N HA 0.249 4.989 4.740 -0.000 0.000 0.238 57 N C -0.146 175.423 175.510 0.098 0.000 1.084 57 N CA 0.045 53.058 53.050 -0.063 0.000 0.952 57 N CB 0.969 39.343 38.487 -0.188 0.000 1.244 57 N HN 0.381 nan 8.380 nan 0.000 0.512 58 A N 1.436 124.490 122.820 0.390 0.000 3.094 58 A HA 0.236 4.556 4.320 -0.000 0.000 0.288 58 A C 0.971 178.591 177.584 0.060 0.000 1.519 58 A CA -0.509 51.724 52.037 0.327 0.000 1.227 58 A CB -0.648 18.594 19.000 0.403 0.000 1.175 58 A HN 0.463 nan 8.150 nan 0.000 0.568 59 T N -2.205 112.334 114.554 -0.025 0.000 3.132 59 T HA 0.386 4.736 4.350 -0.000 0.000 0.274 59 T C 0.032 174.643 174.700 -0.148 0.000 1.011 59 T CA -0.180 61.853 62.100 -0.112 0.000 0.899 59 T CB -0.660 68.149 68.868 -0.098 0.000 1.089 59 T HN 0.748 nan 8.240 nan 0.000 0.543 60 K N -0.173 120.135 120.400 -0.154 0.000 2.578 60 K HA 0.447 4.767 4.320 -0.000 0.000 0.269 60 K C -1.701 174.805 176.600 -0.157 0.000 0.941 60 K CA -1.083 55.102 56.287 -0.171 0.000 0.847 60 K CB 0.542 32.990 32.500 -0.087 0.000 1.397 60 K HN -0.078 nan 8.250 nan 0.000 0.422 61 Y N 1.444 121.718 120.300 -0.044 0.000 2.702 61 Y HA 0.172 4.722 4.550 -0.000 0.000 0.336 61 Y C 1.226 177.074 175.900 -0.087 0.000 1.235 61 Y CA 0.988 59.065 58.100 -0.039 0.000 1.492 61 Y CB 0.558 39.013 38.460 -0.008 0.000 1.308 61 Y HN 0.808 nan 8.280 nan 0.000 0.589 62 A N 3.104 125.949 122.820 0.040 0.000 2.388 62 A HA 0.322 4.642 4.320 -0.000 0.000 0.280 62 A C 0.148 177.667 177.584 -0.108 0.000 1.377 62 A CA -0.854 51.051 52.037 -0.221 0.000 0.863 62 A CB 0.079 18.652 19.000 -0.712 0.000 1.416 62 A HN 0.785 nan 8.150 nan 0.000 0.517 63 N N 0.163 118.765 118.700 -0.164 0.000 2.482 63 N HA 0.242 4.982 4.740 -0.000 0.000 0.260 63 N C -0.046 175.476 175.510 0.019 0.000 1.236 63 N CA 0.149 53.169 53.050 -0.050 0.000 0.938 63 N CB 0.604 39.072 38.487 -0.031 0.000 1.128 63 N HN 0.503 nan 8.380 nan 0.000 0.448 64 S N 0.082 115.785 115.700 0.005 0.000 2.681 64 S HA 0.377 4.847 4.470 -0.000 0.000 0.270 64 S C 0.534 175.146 174.600 0.019 0.000 1.209 64 S CA -0.716 57.487 58.200 0.005 0.000 0.988 64 S CB 0.879 64.049 63.200 -0.049 0.000 1.006 64 S HN 0.527 nan 8.310 nan 0.000 0.558 68 N N 0.581 119.305 118.700 0.040 0.000 2.381 68 N HA 0.561 5.301 4.740 -0.000 0.000 0.254 68 N C -0.556 174.974 175.510 0.033 0.000 1.264 68 N CA 0.049 53.122 53.050 0.038 0.000 0.942 68 N CB 0.625 39.138 38.487 0.043 0.000 1.190 68 N HN 0.488 nan 8.380 nan 0.000 0.495 69 I N -0.165 120.427 120.570 0.036 0.000 2.689 69 I HA 0.082 4.252 4.170 -0.000 0.000 0.299 69 I C -0.347 175.806 176.117 0.059 0.000 1.059 69 I CA -0.955 60.370 61.300 0.042 0.000 1.055 69 I CB 2.094 40.114 38.000 0.033 0.000 1.243 69 I HN 0.291 nan 8.210 nan 0.000 0.425 70 D N 4.273 124.725 120.400 0.087 0.000 2.349 70 D HA 0.043 4.683 4.640 -0.000 0.000 0.266 70 D C 0.122 176.485 176.300 0.106 0.000 1.293 70 D CA 0.596 54.676 54.000 0.133 0.000 0.926 70 D CB 0.706 41.640 40.800 0.224 0.000 1.090 70 D HN 0.438 nan 8.370 nan 0.000 0.502 71 Q N 1.761 121.594 119.800 0.056 0.000 2.198 71 Q HA 0.122 4.462 4.340 -0.000 0.000 0.209 71 Q C 1.376 177.333 176.000 -0.071 0.000 0.848 71 Q CA -0.210 55.602 55.803 0.016 0.000 0.974 71 Q CB 0.612 29.357 28.738 0.012 0.000 1.115 71 Q HN 0.334 nan 8.270 nan 0.000 0.494 72 S N 0.350 115.946 115.700 -0.173 0.000 2.402 72 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 72 S C 0.100 174.189 174.600 -0.851 0.000 1.021 72 S CA 0.961 58.792 58.200 -0.615 0.000 0.974 72 S CB 0.140 62.745 63.200 -0.993 0.000 0.800 72 S HN 0.298 nan 8.310 nan 0.000 0.484 73 F N 1.010 121.021 119.950 0.103 0.000 2.769 73 F HA 0.421 4.948 4.527 -0.000 0.000 0.358 73 F C -3.044 172.827 175.800 0.118 0.000 1.285 73 F CA -2.947 55.108 58.000 0.091 0.000 1.199 73 F CB 0.397 39.486 39.000 0.147 0.000 1.558 73 F HN -0.182 nan 8.300 nan 0.000 0.583 74 P HA 0.225 nan 4.420 nan 0.000 0.268 74 P C 1.013 178.396 177.300 0.139 0.000 1.204 74 P CA 1.029 64.202 63.100 0.122 0.000 0.768 74 P CB 0.983 32.722 31.700 0.066 0.000 0.842 75 G N 2.135 111.003 108.800 0.114 0.000 2.234 75 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 75 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 75 G C -0.008 174.982 174.900 0.150 0.000 0.987 75 G CA -0.378 44.780 45.100 0.096 0.000 0.625 75 G HN 0.525 nan 8.290 nan 0.000 0.532 76 F N 1.945 121.890 119.950 -0.008 0.000 2.420 76 F HA 0.678 5.204 4.527 -0.000 0.000 0.352 76 F C 1.306 177.046 175.800 -0.100 0.000 1.108 76 F CA -0.934 57.011 58.000 -0.092 0.000 1.162 76 F CB 1.026 39.933 39.000 -0.154 0.000 1.118 76 F HN 0.163 nan 8.300 nan 0.000 0.510 77 H N 4.306 122.985 119.070 -0.652 0.000 2.357 77 H HA 0.022 4.578 4.556 -0.000 0.000 0.301 77 H C 2.177 176.983 175.328 -0.870 0.000 1.082 77 H CA 1.980 57.653 56.048 -0.626 0.000 1.342 77 H CB -0.389 29.085 29.762 -0.481 0.000 1.389 77 H HN 0.800 nan 8.280 nan 0.000 0.511 78 G N -0.781 106.919 108.800 -1.833 0.000 2.547 78 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.221 78 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.221 78 G C 1.858 176.552 174.900 -0.343 0.000 1.140 78 G CA 1.896 46.053 45.100 -1.572 0.000 0.760 78 G HN 0.614 nan 8.290 nan 0.000 0.583 79 S N -0.503 115.039 115.700 -0.264 0.000 2.502 79 S HA 0.146 4.615 4.470 -0.000 0.000 0.228 79 S C 1.829 176.545 174.600 0.194 0.000 1.061 79 S CA 0.783 59.256 58.200 0.455 0.000 0.935 79 S CB -0.074 63.589 63.200 0.773 0.000 0.809 79 S HN 0.470 nan 8.310 nan 0.000 0.510 80 E N 2.107 122.279 120.200 -0.046 0.000 2.333 80 E HA -0.105 4.245 4.350 -0.000 0.000 0.198 80 E C 1.970 178.420 176.600 -0.250 0.000 1.007 80 E CA 1.327 57.681 56.400 -0.078 0.000 0.845 80 E CB -0.544 29.123 29.700 -0.055 0.000 0.766 80 E HN 0.836 nan 8.360 nan 0.000 0.507 81 M N -1.897 117.360 119.600 -0.573 0.000 2.549 81 M HA -0.067 4.413 4.480 -0.000 0.000 0.260 81 M C 0.962 176.769 176.300 -0.823 0.000 1.076 81 M CA 1.339 56.149 55.300 -0.817 0.000 1.090 81 M CB -0.307 31.516 32.600 -1.294 0.000 1.418 81 M HN 0.044 nan 8.290 nan 0.000 0.486 82 W N 0.684 121.863 121.300 -0.203 0.000 2.907 82 W HA 0.274 4.934 4.660 -0.000 0.000 0.271 82 W C 0.480 176.910 176.519 -0.149 0.000 1.253 82 W CA -0.820 56.417 57.345 -0.180 0.000 1.501 82 W CB -0.089 29.305 29.460 -0.109 0.000 1.047 82 W HN 0.069 nan 8.180 nan 0.000 0.610 83 N N 3.210 121.932 118.700 0.037 0.000 2.479 83 N HA 0.045 4.785 4.740 -0.000 0.000 0.257 83 N C -2.159 173.309 175.510 -0.069 0.000 1.232 83 N CA -0.755 52.297 53.050 0.002 0.000 0.920 83 N CB -0.192 38.299 38.487 0.007 0.000 1.105 83 N HN -0.192 nan 8.380 nan 0.000 0.444 84 P HA -0.012 nan 4.420 nan 0.000 0.266 84 P C -0.244 176.995 177.300 -0.102 0.000 1.193 84 P CA 0.043 63.082 63.100 -0.101 0.000 0.770 84 P CB 0.446 32.097 31.700 -0.081 0.000 0.836 85 N N 0.560 119.185 118.700 -0.126 0.000 2.480 85 N HA 0.100 4.840 4.740 -0.000 0.000 0.281 85 N C -0.518 174.938 175.510 -0.090 0.000 1.381 85 N CA -0.404 52.577 53.050 -0.115 0.000 0.903 85 N CB 0.222 38.618 38.487 -0.152 0.000 1.274 85 N HN 0.483 nan 8.380 nan 0.000 0.505 86 T N -3.336 111.175 114.554 -0.072 0.000 2.840 86 T HA 0.305 4.655 4.350 -0.000 0.000 0.317 86 T C -1.375 173.300 174.700 -0.041 0.000 1.401 86 T CA -0.674 61.399 62.100 -0.045 0.000 1.028 86 T CB 1.374 70.225 68.868 -0.028 0.000 1.317 86 T HN -0.100 nan 8.240 nan 0.000 0.495 87 D N 1.414 121.793 120.400 -0.036 0.000 2.525 87 D HA 0.274 4.914 4.640 -0.000 0.000 0.235 87 D C 0.103 176.387 176.300 -0.026 0.000 1.137 87 D CA 0.391 54.372 54.000 -0.031 0.000 0.868 87 D CB 0.313 41.094 40.800 -0.033 0.000 1.180 87 D HN 0.441 nan 8.370 nan 0.000 0.465 88 L N 2.146 123.356 121.223 -0.021 0.000 2.331 88 L HA 0.400 4.740 4.340 -0.000 0.000 0.278 88 L C 0.446 177.310 176.870 -0.010 0.000 1.106 88 L CA -0.087 54.745 54.840 -0.015 0.000 0.824 88 L CB 0.926 42.977 42.059 -0.013 0.000 1.142 88 L HN 0.320 nan 8.230 nan 0.000 0.443 89 S N 1.030 116.728 115.700 -0.002 0.000 2.570 89 S HA 0.226 4.696 4.470 -0.000 0.000 0.270 89 S C 0.349 174.951 174.600 0.004 0.000 1.149 89 S CA -0.640 57.560 58.200 0.000 0.000 0.837 89 S CB 1.784 64.989 63.200 0.007 0.000 1.124 89 S HN 0.739 nan 8.310 nan 0.000 0.465 90 E N 0.752 120.946 120.200 -0.012 0.000 2.274 90 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 90 E C -0.329 176.270 176.600 -0.002 0.000 0.996 90 E CA 0.470 56.852 56.400 -0.030 0.000 0.840 90 E CB 0.120 29.782 29.700 -0.063 0.000 0.772 90 E HN 0.471 nan 8.360 nan 0.000 0.491 91 D N 0.404 120.827 120.400 0.039 0.000 2.453 91 D HA 0.011 4.650 4.640 -0.000 0.000 0.223 91 D C 0.048 176.477 176.300 0.213 0.000 1.183 91 D CA -0.150 53.917 54.000 0.111 0.000 0.933 91 D CB 0.261 41.146 40.800 0.142 0.000 1.038 91 D HN 0.156 nan 8.370 nan 0.000 0.513 92 c N 2.487 121.196 118.600 0.181 0.000 4.015 92 c HA 0.338 4.908 4.570 -0.000 0.000 0.323 92 c C 0.843 175.065 174.090 0.221 0.000 1.724 92 c CA -0.586 55.898 56.329 0.260 0.000 1.828 92 c CB -1.159 41.430 42.510 0.131 0.000 3.083 92 c HN 0.448 nan 8.230 nan 0.000 0.640 93 L N 2.426 123.584 121.223 -0.109 0.000 2.376 93 L HA 0.335 4.675 4.340 -0.000 0.000 0.250 93 L C -0.811 175.527 176.870 -0.887 0.000 1.335 93 L CA 0.666 55.195 54.840 -0.519 0.000 1.214 93 L CB -0.933 40.684 42.059 -0.737 0.000 1.395 93 L HN 0.385 nan 8.230 nan 0.000 0.424 94 Y N 1.501 121.757 120.300 -0.074 0.000 2.570 94 Y HA 0.680 5.230 4.550 -0.000 0.000 0.345 94 Y C -0.032 176.001 175.900 0.221 0.000 1.014 94 Y CA -1.288 56.828 58.100 0.026 0.000 1.063 94 Y CB 1.993 40.458 38.460 0.009 0.000 1.272 94 Y HN 0.153 nan 8.280 nan 0.000 0.477 95 L N -0.159 121.175 121.223 0.185 0.000 2.376 95 L HA 0.746 5.086 4.340 -0.000 0.000 0.258 95 L C -1.308 175.492 176.870 -0.117 0.000 1.013 95 L CA -1.214 53.628 54.840 0.002 0.000 0.822 95 L CB 1.820 43.709 42.059 -0.283 0.000 1.388 95 L HN 0.481 nan 8.230 nan 0.000 0.413 96 N N 0.385 119.013 118.700 -0.120 0.000 2.362 96 N HA 0.790 5.530 4.740 -0.000 0.000 0.299 96 N C -1.380 173.936 175.510 -0.323 0.000 1.170 96 N CA -0.521 52.346 53.050 -0.306 0.000 0.825 96 N CB 2.841 41.030 38.487 -0.497 0.000 1.299 96 N HN 0.506 nan 8.380 nan 0.000 0.502 97 V N 0.905 120.590 119.914 -0.380 0.000 2.686 97 V HA 0.408 4.528 4.120 -0.000 0.000 0.306 97 V C -1.119 174.944 176.094 -0.052 0.000 1.065 97 V CA -0.752 61.448 62.300 -0.167 0.000 0.894 97 V CB 2.630 34.224 31.823 -0.382 0.000 1.004 97 V HN 0.615 nan 8.190 nan 0.000 0.424 98 W N 6.201 127.594 121.300 0.155 0.000 2.391 98 W HA 0.566 5.226 4.660 -0.000 0.000 0.312 98 W C -0.304 176.316 176.519 0.169 0.000 1.003 98 W CA -0.487 56.956 57.345 0.163 0.000 1.375 98 W CB 1.871 31.396 29.460 0.108 0.000 1.253 98 W HN 0.598 nan 8.180 nan 0.000 0.416 99 I N 3.026 123.850 120.570 0.424 0.000 2.428 99 I HA 0.589 4.759 4.170 -0.000 0.000 0.296 99 I C -2.024 174.253 176.117 0.267 0.000 0.985 99 I CA -2.695 58.808 61.300 0.337 0.000 1.260 99 I CB 1.821 40.061 38.000 0.401 0.000 1.389 99 I HN -0.045 nan 8.210 nan 0.000 0.484 100 P HA 0.247 nan 4.420 nan 0.000 0.275 100 P C -0.984 176.397 177.300 0.136 0.000 1.266 100 P CA -0.367 62.819 63.100 0.144 0.000 0.793 100 P CB 0.990 32.758 31.700 0.112 0.000 1.074 101 A N 1.109 123.991 122.820 0.102 0.000 2.356 101 A HA 0.684 5.004 4.320 -0.000 0.000 0.310 101 A C -2.196 175.431 177.584 0.072 0.000 1.075 101 A CA -1.502 50.588 52.037 0.088 0.000 0.746 101 A CB 0.302 19.345 19.000 0.071 0.000 1.221 101 A HN 0.434 nan 8.150 nan 0.000 0.443 102 P HA 0.151 nan 4.420 nan 0.000 0.275 102 P C -0.371 176.981 177.300 0.086 0.000 1.266 102 P CA -0.566 62.576 63.100 0.071 0.000 0.793 102 P CB 0.504 32.238 31.700 0.057 0.000 1.074 103 K N 1.249 121.703 120.400 0.090 0.000 2.530 103 K HA 0.008 4.327 4.320 -0.000 0.000 0.280 103 K C -1.704 174.948 176.600 0.086 0.000 1.004 103 K CA -0.660 55.687 56.287 0.101 0.000 1.071 103 K CB -0.295 32.254 32.500 0.083 0.000 0.876 103 K HN 0.363 nan 8.250 nan 0.000 0.487 104 P HA 0.103 nan 4.420 nan 0.000 0.276 104 P C -0.261 177.079 177.300 0.067 0.000 1.252 104 P CA -0.440 62.709 63.100 0.081 0.000 0.802 104 P CB 1.050 32.806 31.700 0.093 0.000 1.035 105 K N 0.745 121.178 120.400 0.055 0.000 2.044 105 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 105 K C 0.563 177.188 176.600 0.041 0.000 1.045 105 K CA 1.296 57.609 56.287 0.043 0.000 0.951 105 K CB -0.272 32.251 32.500 0.038 0.000 0.738 105 K HN 0.406 nan 8.250 nan 0.000 0.443 106 N N -0.064 118.662 118.700 0.043 0.000 2.700 106 N HA 0.193 4.933 4.740 -0.000 0.000 0.242 106 N C -1.777 173.754 175.510 0.036 0.000 1.541 106 N CA -0.044 53.028 53.050 0.037 0.000 0.764 106 N CB 0.816 39.321 38.487 0.030 0.000 1.319 106 N HN 0.074 nan 8.380 nan 0.000 0.518 107 A N 0.406 123.253 122.820 0.045 0.000 2.340 107 A HA 0.541 4.861 4.320 -0.000 0.000 0.268 107 A C 0.454 178.049 177.584 0.019 0.000 1.100 107 A CA -0.037 52.022 52.037 0.037 0.000 0.803 107 A CB 0.214 19.250 19.000 0.059 0.000 1.043 107 A HN 0.343 nan 8.150 nan 0.000 0.488 108 T N 1.607 116.151 114.554 -0.015 0.000 2.901 108 T HA 0.386 4.736 4.350 -0.000 0.000 0.301 108 T C 0.123 174.815 174.700 -0.012 0.000 1.012 108 T CA 0.072 62.146 62.100 -0.043 0.000 1.135 108 T CB 0.375 69.172 68.868 -0.119 0.000 0.936 108 T HN 0.422 nan 8.240 nan 0.000 0.539 109 V N 4.692 124.609 119.914 0.004 0.000 2.435 109 V HA 0.413 4.533 4.120 -0.000 0.000 0.290 109 V C -0.375 175.737 176.094 0.030 0.000 1.030 109 V CA -0.886 61.440 62.300 0.043 0.000 0.881 109 V CB 1.416 33.283 31.823 0.072 0.000 0.983 109 V HN 0.564 nan 8.190 nan 0.000 0.445 110 L N 5.985 127.231 121.223 0.040 0.000 2.294 110 L HA 0.539 4.879 4.340 -0.000 0.000 0.283 110 L C -0.243 176.790 176.870 0.272 0.000 1.015 110 L CA 0.158 54.997 54.840 -0.003 0.000 0.831 110 L CB 1.272 43.154 42.059 -0.296 0.000 1.217 110 L HN 0.474 nan 8.230 nan 0.000 0.420 111 I N 3.177 123.962 120.570 0.357 0.000 2.312 111 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 111 I C -0.544 175.927 176.117 0.589 0.000 1.008 111 I CA -0.522 61.017 61.300 0.399 0.000 1.226 111 I CB 0.988 39.090 38.000 0.170 0.000 1.371 111 I HN 0.638 nan 8.210 nan 0.000 0.468 112 W N 8.582 130.090 121.300 0.346 0.000 2.365 112 W HA 0.530 5.190 4.660 -0.000 0.000 0.316 112 W C -1.431 175.016 176.519 -0.120 0.000 1.164 112 W CA -0.616 56.664 57.345 -0.108 0.000 1.204 112 W CB 1.252 30.623 29.460 -0.147 0.000 1.213 112 W HN 0.353 nan 8.180 nan 0.000 0.539 113 I N 9.360 129.391 120.570 -0.900 0.000 2.437 113 I HA 0.036 4.206 4.170 -0.000 0.000 0.279 113 I C -0.267 175.169 176.117 -1.135 0.000 1.028 113 I CA -1.077 59.748 61.300 -0.792 0.000 1.142 113 I CB 0.530 38.187 38.000 -0.571 0.000 1.266 113 I HN 0.299 nan 8.210 nan 0.000 0.461 114 Y N 4.478 124.354 120.300 -0.707 0.000 2.652 114 Y HA 0.541 5.091 4.550 -0.000 0.000 0.344 114 Y C 0.786 176.552 175.900 -0.223 0.000 1.254 114 Y CA -0.738 57.056 58.100 -0.510 0.000 1.480 114 Y CB -0.143 38.261 38.460 -0.094 0.000 1.345 114 Y HN 0.498 nan 8.280 nan 0.000 0.617 115 G N -0.669 108.192 108.800 0.102 0.000 2.537 115 G HA2 0.501 4.461 3.960 -0.000 0.000 0.297 115 G HA3 0.501 4.461 3.960 -0.000 0.000 0.297 115 G C 0.258 175.220 174.900 0.103 0.000 1.310 115 G CA -0.873 44.229 45.100 0.004 0.000 1.027 115 G HN 1.702 nan 8.290 nan 0.000 0.505 116 G N -2.729 106.027 108.800 -0.073 0.000 2.925 116 G HA2 0.432 4.392 3.960 -0.000 0.000 0.224 116 G HA3 0.432 4.392 3.960 -0.000 0.000 0.224 116 G C 0.933 175.768 174.900 -0.109 0.000 1.015 116 G CA 0.715 45.779 45.100 -0.059 0.000 1.026 116 G HN 2.247 nan 8.290 nan 0.000 0.608 117 G N -0.273 108.380 108.800 -0.245 0.000 2.233 117 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.270 117 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.270 117 G C 0.938 175.842 174.900 0.006 0.000 1.011 117 G CA 0.710 45.684 45.100 -0.210 0.000 0.762 117 G HN 1.647 nan 8.290 nan 0.000 0.511 118 F N -2.947 117.040 119.950 0.062 0.000 2.890 118 F HA -0.285 4.241 4.527 -0.000 0.000 0.346 118 F C 1.819 177.715 175.800 0.160 0.000 0.660 118 F CA 2.102 60.136 58.000 0.057 0.000 1.091 118 F CB -1.410 37.380 39.000 -0.349 0.000 1.535 118 F HN 0.442 nan 8.300 nan 0.000 0.314 119 Q N -0.816 119.116 119.800 0.220 0.000 2.402 119 Q HA 0.282 4.622 4.340 -0.000 0.000 0.231 119 Q C 1.326 177.402 176.000 0.127 0.000 0.888 119 Q CA 1.407 57.327 55.803 0.195 0.000 0.938 119 Q CB 0.676 29.493 28.738 0.132 0.000 1.086 119 Q HN 0.597 nan 8.270 nan 0.000 0.543 120 T N -3.234 111.368 114.554 0.081 0.000 2.696 120 T HA 0.771 5.121 4.350 -0.000 0.000 0.291 120 T C -0.018 174.669 174.700 -0.021 0.000 1.095 120 T CA -0.327 61.785 62.100 0.021 0.000 1.026 120 T CB 2.252 71.123 68.868 0.004 0.000 1.390 120 T HN 0.351 nan 8.240 nan 0.000 0.513 121 G N -0.786 107.923 108.800 -0.153 0.000 2.459 121 G HA2 0.418 4.378 3.960 -0.000 0.000 0.685 121 G HA3 0.418 4.378 3.960 -0.000 0.000 0.685 121 G C -0.539 173.780 174.900 -0.968 0.000 1.303 121 G CA -0.046 44.789 45.100 -0.442 0.000 0.907 121 G HN 1.634 nan 8.290 nan 0.000 0.632 122 T N -1.508 112.337 114.554 -1.181 0.000 2.886 122 T HA 0.650 5.000 4.350 -0.000 0.000 0.330 122 T C 1.382 175.888 174.700 -0.323 0.000 1.488 122 T CA 0.949 62.551 62.100 -0.831 0.000 1.054 122 T CB 1.097 69.781 68.868 -0.306 0.000 1.348 122 T HN 2.045 nan 8.240 nan 0.000 0.489 123 S N 1.068 116.869 115.700 0.168 0.000 2.522 123 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 123 S C 1.794 176.549 174.600 0.258 0.000 0.986 123 S CA 0.946 59.431 58.200 0.475 0.000 0.929 123 S CB -0.334 63.200 63.200 0.557 0.000 0.769 123 S HN 0.844 nan 8.310 nan 0.000 0.529 124 S N 1.301 116.933 115.700 -0.114 0.000 2.603 124 S HA 0.301 4.771 4.470 -0.000 0.000 0.220 124 S C 0.598 174.865 174.600 -0.554 0.000 0.967 124 S CA -0.529 57.205 58.200 -0.778 0.000 0.920 124 S CB -0.737 61.900 63.200 -0.939 0.000 0.773 124 S HN 0.471 nan 8.310 nan 0.000 0.529 125 L N 1.685 122.721 121.223 -0.312 0.000 2.483 125 L HA 0.118 4.458 4.340 -0.000 0.000 0.276 125 L C 2.093 178.707 176.870 -0.427 0.000 1.213 125 L CA -0.127 54.432 54.840 -0.468 0.000 0.843 125 L CB 0.103 41.671 42.059 -0.818 0.000 1.107 125 L HN 0.287 nan 8.230 nan 0.000 0.487 126 H N 2.242 121.032 119.070 -0.467 0.000 2.421 126 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 126 H C 1.581 176.662 175.328 -0.410 0.000 1.087 126 H CA 1.905 57.752 56.048 -0.335 0.000 1.330 126 H CB 0.092 29.692 29.762 -0.270 0.000 1.388 126 H HN 0.433 nan 8.280 nan 0.000 0.526 127 V N -1.605 117.869 119.914 -0.733 0.000 3.510 127 V HA -0.033 4.086 4.120 -0.000 0.000 0.270 127 V C 0.699 176.185 176.094 -1.013 0.000 1.201 127 V CA 0.809 62.616 62.300 -0.822 0.000 1.166 127 V CB -1.048 30.316 31.823 -0.766 0.000 0.825 127 V HN 0.249 nan 8.190 nan 0.000 0.484 128 Y N -0.391 119.345 120.300 -0.941 0.000 2.531 128 Y HA 0.450 5.000 4.550 -0.000 0.000 0.249 128 Y C 0.887 176.243 175.900 -0.907 0.000 1.168 128 Y CA -1.845 55.397 58.100 -1.429 0.000 1.226 128 Y CB -0.469 37.595 38.460 -0.660 0.000 1.177 128 Y HN 0.241 nan 8.280 nan 0.000 0.527 129 D N 1.123 121.248 120.400 -0.457 0.000 2.368 129 D HA 0.045 4.685 4.640 -0.000 0.000 0.268 129 D C 1.281 177.205 176.300 -0.628 0.000 1.298 129 D CA 0.438 54.252 54.000 -0.310 0.000 0.938 129 D CB 0.935 41.663 40.800 -0.121 0.000 1.101 129 D HN 0.459 nan 8.370 nan 0.000 0.509 130 G N 3.636 111.510 108.800 -1.544 0.000 3.327 130 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.240 130 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.240 130 G C 1.344 175.491 174.900 -1.255 0.000 1.222 130 G CA -0.038 44.352 45.100 -1.183 0.000 0.871 130 G HN 0.549 nan 8.290 nan 0.000 0.525 131 K N -0.675 118.962 120.400 -1.273 0.000 2.167 131 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 131 K C 1.529 177.794 176.600 -0.557 0.000 1.052 131 K CA 0.464 56.279 56.287 -0.787 0.000 0.956 131 K CB -0.310 31.827 32.500 -0.604 0.000 0.735 131 K HN 0.188 nan 8.250 nan 0.000 0.451 132 F N 2.188 121.968 119.950 -0.283 0.000 2.113 132 F HA 0.001 4.527 4.527 -0.000 0.000 0.297 132 F C 2.187 177.936 175.800 -0.086 0.000 1.103 132 F CA 0.891 58.779 58.000 -0.187 0.000 1.248 132 F CB -0.588 38.362 39.000 -0.082 0.000 0.999 132 F HN -0.145 nan 8.300 nan 0.000 0.475 133 L N -0.463 120.799 121.223 0.065 0.000 2.083 133 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 133 L C 2.681 179.555 176.870 0.007 0.000 1.083 133 L CA 1.050 55.896 54.840 0.010 0.000 0.752 133 L CB -0.992 41.023 42.059 -0.075 0.000 0.899 133 L HN 0.165 nan 8.230 nan 0.000 0.433 134 A N 0.272 123.076 122.820 -0.026 0.000 1.858 134 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 134 A C 2.339 179.948 177.584 0.042 0.000 1.190 134 A CA 1.882 53.939 52.037 0.033 0.000 0.617 134 A CB -0.515 18.527 19.000 0.070 0.000 0.827 134 A HN 0.284 nan 8.150 nan 0.000 0.443 135 R N -0.141 120.363 120.500 0.006 0.000 2.094 135 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 135 R C 1.836 178.203 176.300 0.111 0.000 1.137 135 R CA 2.457 58.580 56.100 0.037 0.000 0.943 135 R CB -1.054 29.216 30.300 -0.050 0.000 0.850 135 R HN 0.278 nan 8.270 nan 0.000 0.433 136 V N 0.521 120.526 119.914 0.152 0.000 2.488 136 V HA -0.052 4.067 4.120 -0.000 0.000 0.246 136 V C 1.438 177.592 176.094 0.099 0.000 1.046 136 V CA 1.812 64.207 62.300 0.158 0.000 1.053 136 V CB -0.365 31.573 31.823 0.191 0.000 0.679 136 V HN 0.314 nan 8.190 nan 0.000 0.458 137 E N -0.538 119.705 120.200 0.071 0.000 2.526 137 E HA 0.221 4.571 4.350 -0.000 0.000 0.208 137 E C 0.224 176.851 176.600 0.045 0.000 0.997 137 E CA -0.288 56.142 56.400 0.050 0.000 0.961 137 E CB 0.295 30.009 29.700 0.025 0.000 1.030 137 E HN 0.460 nan 8.360 nan 0.000 0.483 138 R N 0.380 120.915 120.500 0.058 0.000 3.333 138 R HA -0.142 4.198 4.340 -0.000 0.000 0.256 138 R C 0.013 176.344 176.300 0.052 0.000 1.010 138 R CA 0.653 56.791 56.100 0.063 0.000 0.680 138 R CB -2.328 28.011 30.300 0.065 0.000 1.102 138 R HN 0.047 nan 8.270 nan 0.000 0.440 139 V N -2.316 117.625 119.914 0.045 0.000 2.881 139 V HA 0.683 4.803 4.120 -0.000 0.000 0.316 139 V C 0.705 176.849 176.094 0.083 0.000 1.070 139 V CA -1.141 61.180 62.300 0.034 0.000 0.976 139 V CB 2.676 34.490 31.823 -0.016 0.000 1.038 139 V HN 0.164 nan 8.190 nan 0.000 0.446 140 I N 2.656 123.287 120.570 0.102 0.000 2.297 140 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 140 I C -0.261 175.970 176.117 0.191 0.000 1.033 140 I CA -0.489 60.911 61.300 0.167 0.000 1.253 140 I CB 1.536 39.629 38.000 0.153 0.000 1.396 140 I HN 0.443 nan 8.210 nan 0.000 0.476 141 V N 7.519 127.607 119.914 0.290 0.000 2.644 141 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 141 V C 0.094 176.504 176.094 0.526 0.000 1.053 141 V CA -0.517 62.010 62.300 0.377 0.000 0.987 141 V CB 1.906 33.935 31.823 0.343 0.000 1.006 141 V HN 0.395 nan 8.190 nan 0.000 0.472 142 V N 3.032 123.241 119.914 0.490 0.000 2.686 142 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 142 V C -0.330 176.032 176.094 0.446 0.000 1.065 142 V CA -0.319 62.214 62.300 0.389 0.000 0.894 142 V CB 2.319 34.266 31.823 0.207 0.000 1.004 142 V HN 0.929 nan 8.190 nan 0.000 0.424 143 S N 5.883 121.826 115.700 0.404 0.000 2.566 143 S HA 0.901 5.371 4.470 -0.000 0.000 0.298 143 S C -0.649 174.089 174.600 0.230 0.000 1.083 143 S CA -0.730 57.723 58.200 0.422 0.000 0.978 143 S CB 1.981 65.541 63.200 0.601 0.000 1.073 143 S HN 0.848 nan 8.310 nan 0.000 0.491 144 M N 1.340 121.078 119.600 0.230 0.000 2.531 144 M HA 0.591 5.071 4.480 -0.000 0.000 0.286 144 M C -2.168 174.351 176.300 0.365 0.000 1.232 144 M CA -0.605 54.813 55.300 0.197 0.000 0.877 144 M CB 1.581 34.136 32.600 -0.074 0.000 1.726 144 M HN 0.369 nan 8.290 nan 0.000 0.463 145 N N 2.735 121.707 118.700 0.452 0.000 2.456 145 N HA 0.615 5.355 4.740 -0.000 0.000 0.288 145 N C -1.576 174.181 175.510 0.412 0.000 1.059 145 N CA 0.068 53.412 53.050 0.491 0.000 0.946 145 N CB 1.205 39.915 38.487 0.370 0.000 1.150 145 N HN 0.747 nan 8.380 nan 0.000 0.479 146 Y N -1.323 119.133 120.300 0.259 0.000 2.477 146 Y HA 0.551 5.101 4.550 -0.000 0.000 0.347 146 Y C 0.138 176.151 175.900 0.189 0.000 0.981 146 Y CA -1.306 56.888 58.100 0.156 0.000 1.033 146 Y CB 0.889 39.360 38.460 0.019 0.000 1.245 146 Y HN 0.202 nan 8.280 nan 0.000 0.455 147 R N 2.066 122.660 120.500 0.158 0.000 2.640 147 R HA 0.393 4.733 4.340 -0.000 0.000 0.270 147 R C -0.222 176.172 176.300 0.156 0.000 1.024 147 R CA 0.185 56.326 56.100 0.069 0.000 1.085 147 R CB 0.502 30.800 30.300 -0.003 0.000 0.963 147 R HN 0.730 nan 8.270 nan 0.000 0.426 148 V N -0.436 119.586 119.914 0.179 0.000 3.164 148 V HA 0.905 5.025 4.120 -0.000 0.000 0.313 148 V C 0.640 176.944 176.094 0.350 0.000 1.188 148 V CA -0.238 62.305 62.300 0.406 0.000 1.058 148 V CB 1.213 33.189 31.823 0.254 0.000 1.110 148 V HN 1.002 nan 8.190 nan 0.000 0.453 149 G N 0.134 109.197 108.800 0.438 0.000 2.645 149 G HA2 0.110 4.070 3.960 -0.000 0.000 0.246 149 G HA3 0.110 4.070 3.960 -0.000 0.000 0.246 149 G C 0.914 175.971 174.900 0.262 0.000 1.322 149 G CA 0.641 45.935 45.100 0.323 0.000 0.898 149 G HN 2.226 nan 8.290 nan 0.000 0.573 150 A N -0.993 121.763 122.820 -0.107 0.000 1.972 150 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 150 A C 2.645 180.242 177.584 0.021 0.000 1.169 150 A CA 2.180 53.915 52.037 -0.503 0.000 0.635 150 A CB -0.341 18.007 19.000 -1.086 0.000 0.810 150 A HN 1.031 nan 8.150 nan 0.000 0.446 151 L N -1.288 119.958 121.223 0.038 0.000 2.275 151 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 151 L C 2.361 179.228 176.870 -0.004 0.000 1.119 151 L CA 1.022 55.838 54.840 -0.039 0.000 0.790 151 L CB -0.313 41.659 42.059 -0.144 0.000 0.919 151 L HN 0.532 nan 8.230 nan 0.000 0.443 152 G N -2.174 106.645 108.800 0.031 0.000 2.944 152 G HA2 0.057 4.017 3.960 -0.000 0.000 0.220 152 G HA3 0.057 4.017 3.960 -0.000 0.000 0.220 152 G C 0.647 175.228 174.900 -0.532 0.000 1.100 152 G CA -0.087 44.897 45.100 -0.194 0.000 0.780 152 G HN 0.259 nan 8.290 nan 0.000 0.539 153 F N -0.138 119.919 119.950 0.179 0.000 2.859 153 F HA 0.428 4.955 4.527 -0.000 0.000 0.324 153 F C 0.125 176.064 175.800 0.230 0.000 1.158 153 F CA -0.955 57.151 58.000 0.177 0.000 1.147 153 F CB 0.642 39.748 39.000 0.176 0.000 1.137 153 F HN -0.077 nan 8.300 nan 0.000 0.516 154 L N 2.190 123.576 121.223 0.272 0.000 2.455 154 L HA 0.580 4.920 4.340 -0.000 0.000 0.272 154 L C 0.081 177.044 176.870 0.155 0.000 1.174 154 L CA 0.027 54.975 54.840 0.179 0.000 0.869 154 L CB 0.271 42.269 42.059 -0.102 0.000 1.130 154 L HN 0.149 nan 8.230 nan 0.000 0.474 155 A N 5.528 128.453 122.820 0.175 0.000 2.371 155 A HA 0.754 5.074 4.320 -0.000 0.000 0.311 155 A C -1.233 176.374 177.584 0.039 0.000 1.068 155 A CA -0.483 51.613 52.037 0.099 0.000 0.744 155 A CB 1.253 20.325 19.000 0.119 0.000 1.239 155 A HN 0.646 nan 8.150 nan 0.000 0.435 156 L N 3.248 124.479 121.223 0.014 0.000 2.470 156 L HA 0.371 4.711 4.340 -0.000 0.000 0.256 156 L C -2.630 174.246 176.870 0.009 0.000 1.357 156 L CA -1.405 53.431 54.840 -0.006 0.000 0.902 156 L CB 1.256 43.292 42.059 -0.038 0.000 1.121 156 L HN 0.389 nan 8.230 nan 0.000 0.507 157 P HA 0.128 nan 4.420 nan 0.000 0.255 157 P C 0.993 178.306 177.300 0.023 0.000 1.141 157 P CA 1.625 64.743 63.100 0.030 0.000 0.767 157 P CB 0.300 32.016 31.700 0.028 0.000 0.726 158 G N 2.337 111.155 108.800 0.029 0.000 2.195 158 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 158 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 158 G C 0.306 175.214 174.900 0.014 0.000 0.984 158 G CA -0.348 44.765 45.100 0.022 0.000 0.633 158 G HN 0.639 nan 8.290 nan 0.000 0.525 159 N N 1.312 120.019 118.700 0.012 0.000 2.501 159 N HA 0.368 5.108 4.740 -0.000 0.000 0.245 159 N C -0.854 174.660 175.510 0.006 0.000 0.974 159 N CA -1.479 51.574 53.050 0.004 0.000 0.941 159 N CB 2.050 40.533 38.487 -0.006 0.000 1.122 159 N HN 0.088 nan 8.380 nan 0.000 0.507 160 P HA -0.140 nan 4.420 nan 0.000 0.220 160 P C 0.504 177.810 177.300 0.010 0.000 1.144 160 P CA 1.071 64.169 63.100 -0.002 0.000 0.800 160 P CB 0.609 32.303 31.700 -0.011 0.000 0.772 161 E N 0.252 120.460 120.200 0.014 0.000 2.204 161 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 161 E C 1.094 177.726 176.600 0.053 0.000 0.989 161 E CA 0.916 57.336 56.400 0.033 0.000 0.824 161 E CB -0.190 29.520 29.700 0.017 0.000 0.756 161 E HN 0.280 nan 8.360 nan 0.000 0.477 162 A N 0.990 123.819 122.820 0.015 0.000 3.044 162 A HA 0.264 4.584 4.320 -0.000 0.000 0.289 162 A C -2.211 175.382 177.584 0.016 0.000 1.236 162 A CA -0.798 51.241 52.037 0.003 0.000 0.871 162 A CB 0.776 19.672 19.000 -0.173 0.000 1.424 162 A HN -0.120 nan 8.150 nan 0.000 0.564 163 P HA 0.251 nan 4.420 nan 0.000 0.221 163 P C 0.910 178.272 177.300 0.103 0.000 1.155 163 P CA 1.718 64.859 63.100 0.067 0.000 0.812 163 P CB 0.480 32.221 31.700 0.068 0.000 0.801 164 G N 0.072 108.944 108.800 0.121 0.000 2.423 164 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.684 164 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.684 164 G C -0.497 174.490 174.900 0.145 0.000 1.309 164 G CA -0.293 44.894 45.100 0.145 0.000 0.950 164 G HN 0.078 nan 8.290 nan 0.000 0.587 165 N N -1.401 117.364 118.700 0.109 0.000 2.661 165 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 165 N C 1.670 177.067 175.510 -0.188 0.000 1.142 165 N CA 1.928 54.936 53.050 -0.070 0.000 0.727 165 N CB -0.853 37.527 38.487 -0.177 0.000 1.099 165 N HN 0.645 nan 8.380 nan 0.000 0.558 166 M N -0.151 119.354 119.600 -0.158 0.000 2.149 166 M HA -0.054 4.426 4.480 -0.000 0.000 0.261 166 M C 2.435 178.604 176.300 -0.217 0.000 1.064 166 M CA 2.123 57.391 55.300 -0.054 0.000 1.102 166 M CB -0.687 31.877 32.600 -0.061 0.000 1.369 166 M HN 0.353 nan 8.290 nan 0.000 0.408 167 G N -0.059 108.321 108.800 -0.701 0.000 2.446 167 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 167 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 167 G C 1.577 176.330 174.900 -0.246 0.000 1.168 167 G CA 0.885 45.705 45.100 -0.465 0.000 0.771 167 G HN 0.433 nan 8.290 nan 0.000 0.551 168 L N -0.937 120.027 121.223 -0.432 0.000 2.083 168 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 168 L C 2.689 179.214 176.870 -0.575 0.000 1.083 168 L CA 0.726 55.146 54.840 -0.700 0.000 0.752 168 L CB -0.374 40.797 42.059 -1.480 0.000 0.899 168 L HN 0.161 nan 8.230 nan 0.000 0.433 169 F N 0.095 119.893 119.950 -0.254 0.000 2.259 169 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 169 F C 2.314 178.156 175.800 0.070 0.000 1.088 169 F CA 0.853 58.853 58.000 0.000 0.000 1.358 169 F CB -0.180 38.836 39.000 0.026 0.000 1.040 169 F HN 0.126 nan 8.300 nan 0.000 0.505 170 D N 0.169 120.695 120.400 0.210 0.000 2.087 170 D HA -0.203 4.437 4.640 -0.000 0.000 0.192 170 D C 2.144 178.584 176.300 0.233 0.000 0.993 170 D CA 1.321 55.492 54.000 0.286 0.000 0.828 170 D CB -0.642 40.326 40.800 0.280 0.000 0.968 170 D HN 0.344 nan 8.370 nan 0.000 0.448 171 Q N 0.410 120.258 119.800 0.081 0.000 2.062 171 Q HA -0.254 4.085 4.340 -0.000 0.000 0.209 171 Q C 2.280 178.271 176.000 -0.014 0.000 0.996 171 Q CA 1.733 57.513 55.803 -0.039 0.000 0.859 171 Q CB -0.201 28.495 28.738 -0.069 0.000 0.920 171 Q HN 0.360 nan 8.270 nan 0.000 0.415 172 Q N 0.239 120.133 119.800 0.158 0.000 2.061 172 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 172 Q C 2.084 178.184 176.000 0.166 0.000 0.984 172 Q CA 1.321 57.255 55.803 0.217 0.000 0.846 172 Q CB -0.143 28.839 28.738 0.407 0.000 0.902 172 Q HN 0.313 nan 8.270 nan 0.000 0.421 173 L N 0.441 121.795 121.223 0.219 0.000 2.079 173 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 173 L C 2.152 179.089 176.870 0.112 0.000 1.081 173 L CA 2.149 57.131 54.840 0.236 0.000 0.752 173 L CB -0.802 41.468 42.059 0.353 0.000 0.896 173 L HN 0.301 nan 8.230 nan 0.000 0.433 174 A N -0.903 121.804 122.820 -0.188 0.000 1.930 174 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 174 A C 2.196 179.726 177.584 -0.090 0.000 1.175 174 A CA 1.625 53.361 52.037 -0.502 0.000 0.627 174 A CB -0.676 17.785 19.000 -0.899 0.000 0.815 174 A HN 0.485 nan 8.150 nan 0.000 0.443 175 L N -1.236 119.955 121.223 -0.054 0.000 2.056 175 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 175 L C 2.814 179.737 176.870 0.089 0.000 1.078 175 L CA 1.674 56.519 54.840 0.008 0.000 0.749 175 L CB -0.697 41.326 42.059 -0.060 0.000 0.901 175 L HN 0.480 nan 8.230 nan 0.000 0.433 176 Q N -0.381 119.485 119.800 0.110 0.000 2.096 176 Q HA -0.280 4.060 4.340 -0.000 0.000 0.204 176 Q C 2.106 178.175 176.000 0.114 0.000 0.982 176 Q CA 2.254 58.127 55.803 0.117 0.000 0.850 176 Q CB -0.283 28.540 28.738 0.142 0.000 0.901 176 Q HN 0.513 nan 8.270 nan 0.000 0.422 177 W N -0.429 120.866 121.300 -0.008 0.000 2.335 177 W HA -0.226 4.434 4.660 -0.000 0.000 0.311 177 W C 1.753 178.258 176.519 -0.023 0.000 1.213 177 W CA 1.612 58.951 57.345 -0.010 0.000 1.274 177 W CB -0.225 29.217 29.460 -0.030 0.000 1.148 177 W HN -0.050 nan 8.180 nan 0.000 0.498 178 V N 1.043 121.128 119.914 0.284 0.000 2.490 178 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 178 V C 2.457 178.526 176.094 -0.042 0.000 1.061 178 V CA 1.826 64.209 62.300 0.139 0.000 1.064 178 V CB -0.928 31.009 31.823 0.190 0.000 0.670 178 V HN 0.238 nan 8.190 nan 0.000 0.461 179 Q N 0.536 120.324 119.800 -0.020 0.000 2.016 179 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 179 Q C 2.238 178.175 176.000 -0.105 0.000 0.978 179 Q CA 1.556 57.338 55.803 -0.035 0.000 0.833 179 Q CB -0.263 28.480 28.738 0.008 0.000 0.895 179 Q HN 0.606 nan 8.270 nan 0.000 0.427 180 K N 0.003 120.300 120.400 -0.171 0.000 2.418 180 K HA 0.056 4.376 4.320 -0.000 0.000 0.195 180 K C 1.287 177.685 176.600 -0.337 0.000 1.035 180 K CA 0.506 56.662 56.287 -0.219 0.000 1.003 180 K CB 0.330 32.709 32.500 -0.203 0.000 0.793 180 K HN 0.154 nan 8.250 nan 0.000 0.494 181 N N -0.347 118.045 118.700 -0.514 0.000 2.266 181 N HA 0.024 4.764 4.740 -0.000 0.000 0.217 181 N C 1.199 176.554 175.510 -0.258 0.000 1.211 181 N CA 0.094 52.802 53.050 -0.571 0.000 0.881 181 N CB 0.395 38.092 38.487 -1.318 0.000 1.153 181 N HN -0.029 nan 8.380 nan 0.000 0.489 182 I N 2.762 123.205 120.570 -0.212 0.000 2.423 182 I HA -0.158 4.012 4.170 -0.000 0.000 0.254 182 I C 2.262 178.441 176.117 0.104 0.000 1.151 182 I CA 0.672 61.984 61.300 0.019 0.000 1.421 182 I CB -0.391 37.621 38.000 0.019 0.000 1.079 182 I HN 0.073 nan 8.210 nan 0.000 0.431 183 A N 0.357 123.183 122.820 0.011 0.000 1.883 183 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 183 A C 2.554 180.140 177.584 0.005 0.000 1.186 183 A CA 2.124 54.164 52.037 0.005 0.000 0.624 183 A CB -1.356 17.624 19.000 -0.034 0.000 0.822 183 A HN 0.484 nan 8.150 nan 0.000 0.444 184 A N -1.236 121.559 122.820 -0.042 0.000 1.948 184 A HA -0.106 4.213 4.320 -0.000 0.000 0.220 184 A C 1.771 179.220 177.584 -0.225 0.000 1.177 184 A CA 1.738 53.676 52.037 -0.165 0.000 0.636 184 A CB -0.805 18.020 19.000 -0.291 0.000 0.815 184 A HN 0.520 nan 8.150 nan 0.000 0.449 185 F N -0.846 119.049 119.950 -0.093 0.000 2.811 185 F HA 0.346 4.873 4.527 -0.000 0.000 0.301 185 F C 1.739 177.543 175.800 0.006 0.000 1.151 185 F CA 0.576 58.540 58.000 -0.061 0.000 1.412 185 F CB -0.154 38.796 39.000 -0.084 0.000 1.113 185 F HN 0.370 nan 8.300 nan 0.000 0.579 186 G N 0.329 109.212 108.800 0.137 0.000 2.215 186 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.198 186 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.198 186 G C 0.248 175.211 174.900 0.106 0.000 1.047 186 G CA -0.339 44.821 45.100 0.100 0.000 0.747 186 G HN 0.732 nan 8.290 nan 0.000 0.495 187 G N -0.622 108.242 108.800 0.106 0.000 2.453 187 G HA2 0.547 4.507 3.960 -0.000 0.000 0.323 187 G HA3 0.547 4.507 3.960 -0.000 0.000 0.323 187 G C -0.521 174.407 174.900 0.048 0.000 1.198 187 G CA -0.615 44.535 45.100 0.083 0.000 0.959 187 G HN 0.461 nan 8.290 nan 0.000 0.482 188 N N 1.826 120.547 118.700 0.035 0.000 2.500 188 N HA 0.298 5.038 4.740 -0.000 0.000 0.236 188 N C -1.269 174.249 175.510 0.014 0.000 1.022 188 N CA -2.497 50.564 53.050 0.018 0.000 0.935 188 N CB 1.762 40.255 38.487 0.011 0.000 1.147 188 N HN 0.137 nan 8.380 nan 0.000 0.512 189 P HA -0.067 nan 4.420 nan 0.000 0.236 189 P C -0.037 177.268 177.300 0.008 0.000 1.172 189 P CA 0.894 64.000 63.100 0.010 0.000 0.759 189 P CB 0.256 31.952 31.700 -0.006 0.000 0.843 190 K N -0.826 119.575 120.400 0.000 0.000 2.373 190 K HA 0.186 4.505 4.320 -0.000 0.000 0.202 190 K C 0.552 177.140 176.600 -0.020 0.000 1.025 190 K CA 0.099 56.380 56.287 -0.009 0.000 1.115 190 K CB 0.516 33.011 32.500 -0.008 0.000 0.858 190 K HN -0.114 nan 8.250 nan 0.000 0.525 191 S N 1.245 116.936 115.700 -0.016 0.000 2.359 191 S HA 0.226 4.696 4.470 -0.000 0.000 0.148 191 S C -1.071 173.517 174.600 -0.021 0.000 1.610 191 S CA -0.496 57.681 58.200 -0.038 0.000 1.274 191 S CB 0.318 63.488 63.200 -0.049 0.000 1.380 191 S HN -0.108 nan 8.310 nan 0.000 0.380 192 V N 2.836 122.756 119.914 0.011 0.000 2.435 192 V HA 0.579 4.699 4.120 -0.000 0.000 0.290 192 V C 0.085 176.233 176.094 0.090 0.000 1.030 192 V CA -0.360 61.975 62.300 0.059 0.000 0.881 192 V CB 1.854 33.740 31.823 0.105 0.000 0.983 192 V HN 0.631 nan 8.190 nan 0.000 0.445 193 T N 6.428 121.028 114.554 0.076 0.000 2.791 193 T HA 0.558 4.908 4.350 -0.000 0.000 0.288 193 T C -0.319 174.487 174.700 0.177 0.000 0.999 193 T CA -0.343 61.827 62.100 0.116 0.000 0.952 193 T CB 0.797 69.678 68.868 0.022 0.000 0.938 193 T HN 0.346 nan 8.240 nan 0.000 0.444 194 L N 5.103 126.455 121.223 0.214 0.000 2.331 194 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 194 L C -0.434 176.623 176.870 0.310 0.000 1.106 194 L CA -0.751 54.187 54.840 0.164 0.000 0.824 194 L CB 0.228 42.204 42.059 -0.139 0.000 1.142 194 L HN 0.612 nan 8.230 nan 0.000 0.443 195 F N 0.925 120.915 119.950 0.066 0.000 2.591 195 F HA 0.951 5.478 4.527 -0.000 0.000 0.309 195 F C -0.311 175.435 175.800 -0.088 0.000 1.098 195 F CA -1.586 56.485 58.000 0.118 0.000 0.937 195 F CB 1.458 40.655 39.000 0.329 0.000 1.250 195 F HN 0.442 nan 8.300 nan 0.000 0.447 196 G N 1.453 110.015 108.800 -0.396 0.000 2.660 196 G HA2 0.513 4.473 3.960 -0.000 0.000 0.290 196 G HA3 0.513 4.473 3.960 -0.000 0.000 0.290 196 G C -2.446 172.086 174.900 -0.613 0.000 1.432 196 G CA -0.788 43.667 45.100 -1.075 0.000 0.807 196 G HN 0.853 nan 8.290 nan 0.000 0.485 197 E N 0.083 119.899 120.200 -0.641 0.000 2.288 197 E HA 0.625 4.975 4.350 -0.000 0.000 0.268 197 E C 0.679 177.196 176.600 -0.137 0.000 0.885 197 E CA 0.147 56.446 56.400 -0.168 0.000 0.767 197 E CB 2.242 31.988 29.700 0.076 0.000 1.220 197 E HN 0.694 nan 8.360 nan 0.000 0.427 198 S N 2.157 117.862 115.700 0.009 0.000 4.138 198 S HA -0.392 4.078 4.470 -0.000 0.000 0.574 198 S C 1.404 176.105 174.600 0.168 0.000 1.895 198 S CA 2.094 60.389 58.200 0.158 0.000 4.239 198 S CB -1.533 61.703 63.200 0.060 0.000 0.264 198 S HN 0.921 nan 8.310 nan 0.000 0.489 199 A N 0.983 123.748 122.820 -0.091 0.000 2.178 199 A HA 0.228 4.548 4.320 -0.000 0.000 0.218 199 A C 2.164 179.508 177.584 -0.401 0.000 1.157 199 A CA 2.099 53.935 52.037 -0.334 0.000 0.689 199 A CB -1.257 17.131 19.000 -1.020 0.000 0.787 199 A HN 1.296 nan 8.150 nan 0.000 0.465 200 G N -0.834 107.790 108.800 -0.294 0.000 2.411 200 G HA2 0.168 4.127 3.960 -0.000 0.000 0.213 200 G HA3 0.168 4.127 3.960 -0.000 0.000 0.213 200 G C 1.672 176.395 174.900 -0.294 0.000 1.166 200 G CA 0.926 45.792 45.100 -0.390 0.000 0.802 200 G HN 0.660 nan 8.290 nan 0.000 0.533 201 A N 1.261 123.962 122.820 -0.199 0.000 1.930 201 A HA 0.345 4.665 4.320 -0.000 0.000 0.217 201 A C 2.743 180.257 177.584 -0.117 0.000 1.175 201 A CA 2.029 53.980 52.037 -0.144 0.000 0.627 201 A CB -0.674 18.280 19.000 -0.077 0.000 0.815 201 A HN 0.695 nan 8.150 nan 0.000 0.443 202 A N -0.742 122.068 122.820 -0.016 0.000 1.972 202 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 202 A C 2.403 180.035 177.584 0.081 0.000 1.169 202 A CA 1.946 53.991 52.037 0.014 0.000 0.635 202 A CB -0.637 18.447 19.000 0.141 0.000 0.810 202 A HN 0.429 nan 8.150 nan 0.000 0.446 203 S N -0.617 115.118 115.700 0.058 0.000 2.357 203 S HA -0.097 4.373 4.470 -0.000 0.000 0.221 203 S C 1.942 176.540 174.600 -0.004 0.000 1.031 203 S CA 1.222 59.431 58.200 0.015 0.000 0.982 203 S CB -0.432 62.706 63.200 -0.103 0.000 0.853 203 S HN 0.333 nan 8.310 nan 0.000 0.458 204 V N 2.684 122.585 119.914 -0.021 0.000 2.252 204 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 204 V C 2.733 178.834 176.094 0.013 0.000 1.056 204 V CA 2.202 64.496 62.300 -0.008 0.000 1.022 204 V CB -1.174 30.594 31.823 -0.093 0.000 0.641 204 V HN 0.731 nan 8.190 nan 0.000 0.445 205 S N -0.235 115.435 115.700 -0.050 0.000 2.420 205 S HA -0.178 4.292 4.470 -0.000 0.000 0.237 205 S C 1.857 176.587 174.600 0.217 0.000 1.023 205 S CA 1.770 59.969 58.200 -0.001 0.000 0.991 205 S CB -0.660 62.334 63.200 -0.345 0.000 0.792 205 S HN 0.552 nan 8.310 nan 0.000 0.488 206 L N 0.265 121.556 121.223 0.112 0.000 2.313 206 L HA 0.070 4.410 4.340 -0.000 0.000 0.214 206 L C 2.570 179.437 176.870 -0.005 0.000 1.119 206 L CA 0.811 55.672 54.840 0.036 0.000 0.809 206 L CB -0.539 41.557 42.059 0.062 0.000 0.933 206 L HN 0.398 nan 8.230 nan 0.000 0.449 207 H N -0.206 118.910 119.070 0.078 0.000 2.529 207 H HA 0.027 4.583 4.556 -0.000 0.000 0.277 207 H C 2.176 177.596 175.328 0.153 0.000 0.999 207 H CA 0.898 56.935 56.048 -0.017 0.000 1.256 207 H CB 0.405 29.983 29.762 -0.306 0.000 1.402 207 H HN 0.354 nan 8.280 nan 0.000 0.566 208 L N 0.005 121.441 121.223 0.356 0.000 2.270 208 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 208 L C 2.046 179.133 176.870 0.361 0.000 1.104 208 L CA 0.503 55.647 54.840 0.507 0.000 0.804 208 L CB 0.023 42.401 42.059 0.531 0.000 0.937 208 L HN 0.172 nan 8.230 nan 0.000 0.450 209 L N -1.858 119.469 121.223 0.175 0.000 2.416 209 L HA 0.086 4.426 4.340 -0.000 0.000 0.216 209 L C 1.287 178.098 176.870 -0.098 0.000 1.098 209 L CA -0.018 54.848 54.840 0.043 0.000 0.840 209 L CB 0.065 42.035 42.059 -0.147 0.000 0.981 209 L HN 0.020 nan 8.230 nan 0.000 0.462 210 S N 1.604 117.157 115.700 -0.245 0.000 2.448 210 S HA 0.160 4.630 4.470 -0.000 0.000 0.279 210 S C -1.080 173.404 174.600 -0.193 0.000 1.195 210 S CA -1.485 56.417 58.200 -0.497 0.000 1.051 210 S CB 0.773 63.133 63.200 -1.400 0.000 0.948 210 S HN 0.021 nan 8.310 nan 0.000 0.493 211 P HA -0.076 nan 4.420 nan 0.000 0.218 211 P C 1.333 178.656 177.300 0.038 0.000 1.146 211 P CA 1.250 64.344 63.100 -0.010 0.000 0.813 211 P CB -0.178 31.497 31.700 -0.041 0.000 0.778 212 G N -0.470 108.322 108.800 -0.013 0.000 2.572 212 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.216 212 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.216 212 G C 1.355 176.344 174.900 0.148 0.000 1.133 212 G CA 0.294 45.442 45.100 0.081 0.000 0.791 212 G HN 0.279 nan 8.290 nan 0.000 0.538 213 S N -0.705 115.089 115.700 0.157 0.000 2.540 213 S HA 0.117 4.587 4.470 -0.000 0.000 0.218 213 S C 1.528 176.369 174.600 0.402 0.000 0.977 213 S CA -0.170 58.206 58.200 0.293 0.000 0.918 213 S CB 0.007 63.431 63.200 0.373 0.000 0.806 213 S HN 0.615 nan 8.310 nan 0.000 0.496 214 H N 3.124 122.313 119.070 0.199 0.000 2.321 214 H HA -0.153 4.403 4.556 -0.000 0.000 0.295 214 H C 2.111 177.441 175.328 0.004 0.000 1.102 214 H CA 2.290 58.398 56.048 0.100 0.000 1.266 214 H CB 0.001 29.781 29.762 0.030 0.000 1.363 214 H HN 0.461 nan 8.280 nan 0.000 0.492 215 S N -0.577 115.241 115.700 0.196 0.000 2.548 215 S HA 0.054 4.524 4.470 -0.000 0.000 0.215 215 S C 1.821 176.472 174.600 0.085 0.000 0.976 215 S CA 0.188 58.456 58.200 0.112 0.000 0.908 215 S CB -0.049 63.229 63.200 0.129 0.000 0.781 215 S HN 0.423 nan 8.310 nan 0.000 0.519 216 L N 0.723 122.051 121.223 0.175 0.000 2.478 216 L HA 0.311 4.650 4.340 -0.000 0.000 0.223 216 L C 0.404 177.445 176.870 0.285 0.000 1.140 216 L CA 0.179 55.142 54.840 0.205 0.000 0.842 216 L CB -0.461 41.723 42.059 0.208 0.000 0.953 216 L HN 0.551 nan 8.230 nan 0.000 0.452 217 F N -4.746 115.187 119.950 -0.028 0.000 2.686 217 F HA 0.492 5.019 4.527 -0.000 0.000 0.311 217 F C 0.429 176.205 175.800 -0.040 0.000 1.128 217 F CA -1.093 56.889 58.000 -0.031 0.000 0.946 217 F CB 0.716 39.697 39.000 -0.033 0.000 1.336 217 F HN -0.387 nan 8.300 nan 0.000 0.457 218 T N -0.193 114.296 114.554 -0.108 0.000 2.990 218 T HA 0.350 4.700 4.350 -0.000 0.000 0.237 218 T C 0.639 175.232 174.700 -0.179 0.000 1.009 218 T CA 0.550 62.529 62.100 -0.201 0.000 1.195 218 T CB 0.004 68.809 68.868 -0.104 0.000 0.885 218 T HN 0.473 nan 8.240 nan 0.000 0.424 219 R N -0.074 120.435 120.500 0.015 0.000 2.960 219 R HA 0.813 5.152 4.340 -0.000 0.000 0.249 219 R C -1.441 175.089 176.300 0.383 0.000 1.192 219 R CA -0.791 55.378 56.100 0.115 0.000 1.035 219 R CB 1.811 32.008 30.300 -0.171 0.000 1.234 219 R HN 0.351 nan 8.270 nan 0.000 0.493 220 A N 1.058 124.136 122.820 0.430 0.000 2.520 220 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 220 A C -1.201 176.526 177.584 0.239 0.000 1.051 220 A CA -0.635 51.609 52.037 0.345 0.000 0.690 220 A CB 1.249 20.430 19.000 0.303 0.000 1.281 220 A HN 0.561 nan 8.150 nan 0.000 0.402 221 I N 2.024 122.686 120.570 0.154 0.000 2.418 221 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 221 I C -1.416 174.734 176.117 0.055 0.000 1.008 221 I CA -0.661 60.646 61.300 0.011 0.000 1.104 221 I CB 1.796 39.824 38.000 0.047 0.000 1.264 221 I HN 0.372 nan 8.210 nan 0.000 0.438 222 L N 6.771 127.978 121.223 -0.027 0.000 2.301 222 L HA 0.379 4.719 4.340 -0.000 0.000 0.278 222 L C -0.224 176.655 176.870 0.015 0.000 1.022 222 L CA -0.275 54.532 54.840 -0.055 0.000 0.854 222 L CB 1.123 43.067 42.059 -0.191 0.000 1.226 222 L HN 0.509 nan 8.230 nan 0.000 0.429 223 Q N 1.912 121.785 119.800 0.122 0.000 2.360 223 Q HA 0.446 4.785 4.340 -0.000 0.000 0.254 223 Q C 0.092 176.146 176.000 0.090 0.000 0.975 223 Q CA -0.503 55.426 55.803 0.209 0.000 0.912 223 Q CB 0.996 29.960 28.738 0.378 0.000 1.212 223 Q HN 0.589 nan 8.270 nan 0.000 0.452 224 S N 1.411 117.143 115.700 0.054 0.000 3.484 224 S HA -0.108 4.361 4.470 -0.000 0.000 0.384 224 S C 0.046 174.818 174.600 0.288 0.000 0.932 224 S CA 0.458 58.732 58.200 0.123 0.000 1.293 224 S CB -1.285 61.940 63.200 0.042 0.000 0.919 224 S HN 1.064 nan 8.310 nan 0.000 0.540 225 G N -0.291 108.632 108.800 0.206 0.000 2.378 225 G HA2 0.543 4.503 3.960 -0.000 0.000 0.302 225 G HA3 0.543 4.503 3.960 -0.000 0.000 0.302 225 G C -0.973 173.859 174.900 -0.114 0.000 1.669 225 G CA 0.008 45.247 45.100 0.232 0.000 0.920 225 G HN 1.344 nan 8.290 nan 0.000 0.697 226 S N -0.270 115.247 115.700 -0.306 0.000 2.565 226 S HA 0.593 5.063 4.470 -0.000 0.000 0.269 226 S C 0.600 174.835 174.600 -0.608 0.000 1.153 226 S CA -0.297 57.533 58.200 -0.617 0.000 0.835 226 S CB 1.160 63.867 63.200 -0.820 0.000 1.122 226 S HN 1.871 nan 8.310 nan 0.000 0.462 227 F N 1.277 120.973 119.950 -0.423 0.000 2.333 227 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 227 F C 1.547 177.152 175.800 -0.324 0.000 1.083 227 F CA 1.134 58.939 58.000 -0.325 0.000 1.395 227 F CB -0.581 38.308 39.000 -0.186 0.000 1.056 227 F HN 0.627 nan 8.300 nan 0.000 0.529 228 N N 1.482 119.734 118.700 -0.746 0.000 2.421 228 N HA 0.124 4.864 4.740 -0.000 0.000 0.201 228 N C 0.186 175.438 175.510 -0.431 0.000 1.198 228 N CA 0.477 53.285 53.050 -0.403 0.000 0.838 228 N CB -0.570 37.677 38.487 -0.401 0.000 1.011 228 N HN 0.390 nan 8.380 nan 0.000 0.463 229 A N 1.436 123.859 122.820 -0.661 0.000 2.388 229 A HA 0.399 4.719 4.320 -0.000 0.000 0.257 229 A C -1.121 175.941 177.584 -0.871 0.000 1.095 229 A CA -1.214 50.271 52.037 -0.920 0.000 0.791 229 A CB 0.457 18.515 19.000 -1.569 0.000 1.029 229 A HN 0.036 nan 8.150 nan 0.000 0.489 230 P HA -0.198 nan 4.420 nan 0.000 0.216 230 P C 1.233 178.326 177.300 -0.346 0.000 1.154 230 P CA 2.062 64.877 63.100 -0.474 0.000 0.865 230 P CB -0.069 31.255 31.700 -0.627 0.000 0.789 231 W N -1.682 119.438 121.300 -0.299 0.000 3.003 231 W HA 0.462 5.122 4.660 -0.000 0.000 0.257 231 W C 1.487 177.941 176.519 -0.109 0.000 1.308 231 W CA 0.462 57.685 57.345 -0.205 0.000 1.529 231 W CB -1.339 27.969 29.460 -0.253 0.000 1.115 231 W HN -0.119 nan 8.180 nan 0.000 0.659 232 A N 1.572 124.025 122.820 -0.611 0.000 1.969 232 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 232 A C 0.943 178.398 177.584 -0.215 0.000 1.169 232 A CA 1.271 53.090 52.037 -0.362 0.000 0.635 232 A CB -0.645 17.954 19.000 -0.669 0.000 0.810 232 A HN 0.029 nan 8.150 nan 0.000 0.445 233 V N -0.104 119.694 119.914 -0.194 0.000 2.656 233 V HA 0.399 4.518 4.120 -0.000 0.000 0.307 233 V C -0.369 175.657 176.094 -0.113 0.000 1.051 233 V CA -0.655 61.548 62.300 -0.163 0.000 0.893 233 V CB 1.792 33.551 31.823 -0.106 0.000 0.999 233 V HN 0.189 nan 8.190 nan 0.000 0.426 234 T N 3.134 117.620 114.554 -0.113 0.000 2.837 234 T HA 0.404 4.754 4.350 -0.000 0.000 0.285 234 T C 0.460 175.138 174.700 -0.036 0.000 0.984 234 T CA -0.290 61.766 62.100 -0.073 0.000 1.049 234 T CB 1.285 70.100 68.868 -0.089 0.000 0.947 234 T HN 0.959 nan 8.240 nan 0.000 0.472 235 S N 3.412 119.109 115.700 -0.006 0.000 2.606 235 S HA 0.238 4.708 4.470 -0.000 0.000 0.257 235 S C 1.458 176.082 174.600 0.041 0.000 1.327 235 S CA -0.909 57.306 58.200 0.025 0.000 0.984 235 S CB 0.264 63.495 63.200 0.053 0.000 0.941 235 S HN 0.661 nan 8.310 nan 0.000 0.576 236 L N -0.132 121.126 121.223 0.058 0.000 2.093 236 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 236 L C 2.237 179.150 176.870 0.071 0.000 1.085 236 L CA 1.705 56.579 54.840 0.057 0.000 0.755 236 L CB -0.523 41.572 42.059 0.058 0.000 0.904 236 L HN 0.923 nan 8.230 nan 0.000 0.435 237 Y N 1.266 121.560 120.300 -0.010 0.000 2.084 237 Y HA -0.293 4.257 4.550 -0.000 0.000 0.279 237 Y C 2.517 178.406 175.900 -0.018 0.000 1.119 237 Y CA 2.104 60.198 58.100 -0.009 0.000 1.101 237 Y CB -0.301 38.154 38.460 -0.009 0.000 0.989 237 Y HN 0.197 nan 8.280 nan 0.000 0.484 238 E N 0.214 120.549 120.200 0.226 0.000 2.169 238 E HA -0.339 4.011 4.350 -0.000 0.000 0.202 238 E C 2.251 178.814 176.600 -0.062 0.000 1.016 238 E CA 1.187 57.636 56.400 0.082 0.000 0.817 238 E CB -0.430 29.301 29.700 0.052 0.000 0.736 238 E HN 0.607 nan 8.360 nan 0.000 0.462 239 A N 1.351 124.143 122.820 -0.047 0.000 1.858 239 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 239 A C 2.141 179.694 177.584 -0.051 0.000 1.190 239 A CA 1.769 53.777 52.037 -0.050 0.000 0.617 239 A CB -0.482 18.520 19.000 0.004 0.000 0.827 239 A HN 0.083 nan 8.150 nan 0.000 0.443 240 R N -0.274 120.175 120.500 -0.086 0.000 2.081 240 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 240 R C 2.119 178.332 176.300 -0.146 0.000 1.131 240 R CA 1.875 57.910 56.100 -0.108 0.000 0.960 240 R CB -0.442 29.773 30.300 -0.141 0.000 0.856 240 R HN 0.603 nan 8.270 nan 0.000 0.436 241 N N 0.109 118.658 118.700 -0.252 0.000 2.058 241 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 241 N C 1.562 177.019 175.510 -0.089 0.000 1.037 241 N CA 1.739 54.657 53.050 -0.220 0.000 0.848 241 N CB 0.031 38.348 38.487 -0.284 0.000 1.021 241 N HN 0.192 nan 8.380 nan 0.000 0.422 242 R N -0.927 119.520 120.500 -0.089 0.000 2.096 242 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 242 R C 2.003 178.374 176.300 0.119 0.000 1.127 242 R CA 1.673 57.736 56.100 -0.061 0.000 0.968 242 R CB -0.595 29.516 30.300 -0.314 0.000 0.861 242 R HN 0.251 nan 8.270 nan 0.000 0.440 243 T N 1.537 116.171 114.554 0.134 0.000 2.777 243 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 243 T C 1.854 176.603 174.700 0.081 0.000 1.040 243 T CA 1.009 63.221 62.100 0.188 0.000 1.141 243 T CB -0.082 68.844 68.868 0.097 0.000 0.868 243 T HN 0.121 nan 8.240 nan 0.000 0.444 244 L N 0.993 122.232 121.223 0.027 0.000 2.141 244 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 244 L C 2.462 179.351 176.870 0.031 0.000 1.094 244 L CA 0.786 55.630 54.840 0.006 0.000 0.763 244 L CB -0.540 41.504 42.059 -0.026 0.000 0.908 244 L HN 0.163 nan 8.230 nan 0.000 0.437 245 N N 0.174 118.905 118.700 0.051 0.000 2.188 245 N HA -0.161 4.578 4.740 -0.000 0.000 0.184 245 N C 1.748 177.324 175.510 0.110 0.000 1.018 245 N CA 0.966 54.059 53.050 0.073 0.000 0.858 245 N CB -0.290 38.245 38.487 0.080 0.000 0.989 245 N HN 0.152 nan 8.380 nan 0.000 0.426 246 L N 0.837 122.156 121.223 0.159 0.000 2.083 246 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 246 L C 1.986 178.911 176.870 0.092 0.000 1.083 246 L CA 1.339 56.282 54.840 0.171 0.000 0.752 246 L CB -0.772 41.415 42.059 0.213 0.000 0.899 246 L HN 0.118 nan 8.230 nan 0.000 0.433 247 A N -0.184 122.671 122.820 0.058 0.000 1.841 247 A HA -0.316 4.004 4.320 -0.000 0.000 0.216 247 A C 2.400 180.004 177.584 0.033 0.000 1.199 247 A CA 2.212 54.266 52.037 0.028 0.000 0.621 247 A CB -0.829 18.175 19.000 0.008 0.000 0.835 247 A HN 0.486 nan 8.150 nan 0.000 0.445 248 K N -0.358 120.062 120.400 0.033 0.000 2.032 248 K HA -0.206 4.114 4.320 -0.000 0.000 0.218 248 K C 1.888 178.505 176.600 0.028 0.000 1.054 248 K CA 2.134 58.438 56.287 0.027 0.000 0.941 248 K CB -0.545 31.971 32.500 0.028 0.000 0.720 248 K HN 0.453 nan 8.250 nan 0.000 0.449 249 L N 0.301 121.549 121.223 0.042 0.000 2.129 249 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 249 L C 2.382 179.267 176.870 0.025 0.000 1.087 249 L CA 1.904 56.763 54.840 0.030 0.000 0.757 249 L CB -0.860 41.237 42.059 0.063 0.000 0.896 249 L HN 0.540 nan 8.230 nan 0.000 0.434 250 T N -3.734 110.843 114.554 0.038 0.000 3.086 250 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 250 T C 1.308 176.023 174.700 0.024 0.000 1.074 250 T CA 0.302 62.422 62.100 0.034 0.000 0.988 250 T CB 0.429 69.326 68.868 0.049 0.000 0.988 250 T HN 0.466 nan 8.240 nan 0.000 0.530 251 G N 0.237 109.048 108.800 0.019 0.000 2.221 251 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.265 251 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.265 251 G C 0.614 175.523 174.900 0.014 0.000 1.041 251 G CA 0.010 45.118 45.100 0.013 0.000 0.807 251 G HN 0.611 nan 8.290 nan 0.000 0.502 252 c N 1.138 119.748 118.600 0.017 0.000 2.693 252 c HA 0.433 5.003 4.570 -0.000 0.000 0.286 252 c C 1.692 175.785 174.090 0.005 0.000 1.277 252 c CA 0.240 56.577 56.329 0.013 0.000 1.705 252 c CB -1.037 41.482 42.510 0.016 0.000 1.879 252 c HN 0.623 nan 8.230 nan 0.000 0.607 253 S N 2.103 117.806 115.700 0.006 0.000 2.506 253 S HA 0.283 4.753 4.470 -0.000 0.000 0.291 253 S C 0.183 174.783 174.600 0.000 0.000 1.230 253 S CA 0.481 58.683 58.200 0.002 0.000 1.107 253 S CB 0.205 63.407 63.200 0.004 0.000 0.942 253 S HN 0.488 nan 8.310 nan 0.000 0.502 254 R N 1.543 122.041 120.500 -0.004 0.000 2.930 254 R HA 0.372 4.712 4.340 -0.000 0.000 0.257 254 R C 0.964 177.261 176.300 -0.006 0.000 1.107 254 R CA -0.863 55.235 56.100 -0.003 0.000 0.999 254 R CB 0.561 30.859 30.300 -0.004 0.000 1.209 254 R HN 0.685 nan 8.270 nan 0.000 0.486 255 E N -0.554 119.643 120.200 -0.004 0.000 2.498 255 E HA 0.057 4.407 4.350 -0.000 0.000 0.203 255 E C -0.363 176.233 176.600 -0.006 0.000 1.013 255 E CA -0.037 56.360 56.400 -0.005 0.000 0.927 255 E CB 0.447 30.146 29.700 -0.003 0.000 1.012 255 E HN 0.244 nan 8.360 nan 0.000 0.482 256 N N 2.062 120.758 118.700 -0.006 0.000 2.621 256 N HA 0.029 4.769 4.740 -0.000 0.000 0.237 256 N C 0.344 175.848 175.510 -0.011 0.000 0.997 256 N CA -0.009 53.037 53.050 -0.007 0.000 0.918 256 N CB 1.046 39.530 38.487 -0.004 0.000 1.122 256 N HN 0.113 nan 8.380 nan 0.000 0.510 257 E N 1.147 121.338 120.200 -0.015 0.000 2.149 257 E HA -0.271 4.079 4.350 -0.000 0.000 0.215 257 E C 0.921 177.505 176.600 -0.027 0.000 1.055 257 E CA 2.192 58.577 56.400 -0.024 0.000 0.870 257 E CB -0.195 29.491 29.700 -0.024 0.000 0.764 257 E HN 0.598 nan 8.360 nan 0.000 0.463 258 T N 0.972 115.515 114.554 -0.017 0.000 2.802 258 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 258 T C 1.619 176.313 174.700 -0.009 0.000 1.062 258 T CA 1.564 63.657 62.100 -0.013 0.000 1.133 258 T CB -0.178 68.688 68.868 -0.005 0.000 0.852 258 T HN 0.280 nan 8.240 nan 0.000 0.485 259 E N 0.169 120.364 120.200 -0.008 0.000 2.140 259 E HA 0.113 4.463 4.350 -0.000 0.000 0.191 259 E C 2.219 178.814 176.600 -0.007 0.000 0.973 259 E CA 0.324 56.722 56.400 -0.003 0.000 0.829 259 E CB -0.096 29.604 29.700 -0.000 0.000 0.781 259 E HN 0.447 nan 8.360 nan 0.000 0.466 260 I N 1.468 122.027 120.570 -0.019 0.000 2.315 260 I HA -0.280 3.889 4.170 -0.000 0.000 0.251 260 I C 2.086 178.176 176.117 -0.045 0.000 1.125 260 I CA 0.797 62.081 61.300 -0.028 0.000 1.392 260 I CB -0.193 37.784 38.000 -0.039 0.000 1.065 260 I HN 0.180 nan 8.210 nan 0.000 0.424 261 I N 0.507 121.043 120.570 -0.056 0.000 2.333 261 I HA -0.202 3.967 4.170 -0.000 0.000 0.246 261 I C 2.430 178.560 176.117 0.022 0.000 1.106 261 I CA 1.382 62.637 61.300 -0.076 0.000 1.411 261 I CB -1.047 36.906 38.000 -0.079 0.000 1.082 261 I HN 0.218 nan 8.210 nan 0.000 0.420 262 K N 0.048 120.465 120.400 0.029 0.000 2.211 262 K HA -0.189 4.131 4.320 -0.000 0.000 0.203 262 K C 2.313 178.945 176.600 0.054 0.000 1.050 262 K CA 1.060 57.377 56.287 0.051 0.000 0.945 262 K CB -0.069 32.450 32.500 0.033 0.000 0.732 262 K HN 0.377 nan 8.250 nan 0.000 0.451 263 c N 0.675 119.298 118.600 0.038 0.000 2.448 263 c HA 0.050 4.620 4.570 -0.000 0.000 0.280 263 c C 2.219 176.347 174.090 0.063 0.000 1.398 263 c CA 0.244 56.596 56.329 0.038 0.000 1.774 263 c CB -0.801 41.722 42.510 0.023 0.000 1.888 263 c HN 0.433 nan 8.230 nan 0.000 0.519 264 L N 0.136 121.413 121.223 0.089 0.000 2.209 264 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 264 L C 2.874 179.906 176.870 0.270 0.000 1.094 264 L CA 0.895 55.840 54.840 0.175 0.000 0.790 264 L CB -0.516 41.623 42.059 0.135 0.000 0.932 264 L HN 0.276 nan 8.230 nan 0.000 0.447 265 R N -0.211 120.428 120.500 0.232 0.000 2.235 265 R HA -0.035 4.305 4.340 -0.000 0.000 0.213 265 R C 1.329 177.667 176.300 0.062 0.000 1.059 265 R CA 0.584 56.772 56.100 0.146 0.000 0.997 265 R CB -0.185 30.190 30.300 0.125 0.000 0.884 265 R HN 0.428 nan 8.270 nan 0.000 0.462 266 N N 0.314 119.053 118.700 0.065 0.000 2.392 266 N HA -0.003 4.737 4.740 -0.000 0.000 0.177 266 N C 0.319 175.849 175.510 0.033 0.000 1.066 266 N CA 0.402 53.474 53.050 0.037 0.000 0.895 266 N CB 0.343 38.850 38.487 0.033 0.000 0.988 266 N HN 0.004 nan 8.380 nan 0.000 0.457 267 K N 1.521 121.950 120.400 0.049 0.000 2.188 267 K HA 0.035 4.355 4.320 -0.000 0.000 0.246 267 K C -0.282 176.332 176.600 0.023 0.000 1.026 267 K CA 0.175 56.487 56.287 0.042 0.000 0.871 267 K CB 0.084 32.621 32.500 0.062 0.000 1.042 267 K HN 0.011 nan 8.250 nan 0.000 0.509 268 D N -0.063 120.349 120.400 0.020 0.000 2.210 268 D HA 0.167 4.807 4.640 -0.000 0.000 0.249 268 D C -1.632 174.669 176.300 0.001 0.000 1.078 268 D CA -1.711 52.293 54.000 0.006 0.000 0.875 268 D CB 1.200 42.005 40.800 0.009 0.000 1.175 268 D HN 0.061 nan 8.370 nan 0.000 0.440 269 P HA -0.251 nan 4.420 nan 0.000 0.218 269 P C 1.100 178.396 177.300 -0.005 0.000 1.152 269 P CA 1.108 64.190 63.100 -0.031 0.000 0.857 269 P CB 0.273 31.951 31.700 -0.036 0.000 0.787 270 Q N -0.723 119.082 119.800 0.008 0.000 2.096 270 Q HA -0.128 4.212 4.340 -0.000 0.000 0.197 270 Q C 2.085 178.109 176.000 0.040 0.000 0.964 270 Q CA 1.337 57.154 55.803 0.023 0.000 0.838 270 Q CB -0.584 28.166 28.738 0.021 0.000 0.906 270 Q HN 0.377 nan 8.270 nan 0.000 0.444 271 E N -0.137 120.086 120.200 0.038 0.000 2.265 271 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 271 E C 1.807 178.449 176.600 0.070 0.000 0.996 271 E CA 0.431 56.862 56.400 0.052 0.000 0.832 271 E CB 0.081 29.806 29.700 0.041 0.000 0.756 271 E HN 0.334 nan 8.360 nan 0.000 0.491 272 I N 0.325 120.932 120.570 0.061 0.000 2.584 272 I HA -0.182 3.988 4.170 -0.000 0.000 0.255 272 I C 2.136 178.298 176.117 0.075 0.000 1.145 272 I CA 0.412 61.755 61.300 0.072 0.000 1.462 272 I CB 0.013 38.051 38.000 0.063 0.000 1.102 272 I HN 0.174 nan 8.210 nan 0.000 0.433 273 L N 0.219 121.481 121.223 0.065 0.000 2.217 273 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 273 L C 2.456 179.395 176.870 0.115 0.000 1.107 273 L CA 0.982 55.867 54.840 0.075 0.000 0.783 273 L CB -0.138 41.953 42.059 0.054 0.000 0.919 273 L HN 0.299 nan 8.230 nan 0.000 0.442 274 L N -0.288 121.014 121.223 0.131 0.000 2.072 274 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 274 L C 1.773 178.846 176.870 0.337 0.000 1.079 274 L CA 1.571 56.528 54.840 0.195 0.000 0.752 274 L CB -0.086 42.059 42.059 0.143 0.000 0.906 274 L HN 0.288 nan 8.230 nan 0.000 0.436 275 N N -0.986 117.882 118.700 0.280 0.000 2.422 275 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 275 N C 1.403 177.165 175.510 0.421 0.000 1.080 275 N CA 0.247 53.532 53.050 0.392 0.000 0.893 275 N CB 0.134 38.750 38.487 0.214 0.000 0.973 275 N HN 0.315 nan 8.380 nan 0.000 0.456 276 E N 1.154 121.522 120.200 0.279 0.000 2.070 276 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 276 E C 1.825 178.550 176.600 0.207 0.000 1.004 276 E CA 1.233 57.808 56.400 0.292 0.000 0.805 276 E CB -0.121 29.706 29.700 0.213 0.000 0.744 276 E HN 0.441 nan 8.360 nan 0.000 0.451 277 A N -0.077 122.724 122.820 -0.031 0.000 2.234 277 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 277 A C 1.232 178.437 177.584 -0.631 0.000 1.167 277 A CA 1.028 52.825 52.037 -0.400 0.000 0.698 277 A CB -0.476 18.125 19.000 -0.665 0.000 0.779 277 A HN 0.230 nan 8.150 nan 0.000 0.475 278 F N -1.520 118.496 119.950 0.110 0.000 2.682 278 F HA 0.124 4.651 4.527 -0.000 0.000 0.308 278 F C 1.769 177.617 175.800 0.080 0.000 1.093 278 F CA 0.288 58.340 58.000 0.086 0.000 1.244 278 F CB -0.081 38.964 39.000 0.074 0.000 1.052 278 F HN 0.055 nan 8.300 nan 0.000 0.573 279 V N -1.353 118.686 119.914 0.208 0.000 2.867 279 V HA -0.054 4.065 4.120 -0.000 0.000 0.260 279 V C 0.741 176.868 176.094 0.055 0.000 1.099 279 V CA 0.408 62.789 62.300 0.136 0.000 1.122 279 V CB -1.767 30.123 31.823 0.113 0.000 0.708 279 V HN 0.075 nan 8.190 nan 0.000 0.490 280 V N -2.218 117.721 119.914 0.043 0.000 2.472 280 V HA 0.505 4.625 4.120 -0.000 0.000 0.290 280 V C -0.417 175.731 176.094 0.089 0.000 1.037 280 V CA -1.424 60.895 62.300 0.032 0.000 0.908 280 V CB 0.893 32.708 31.823 -0.012 0.000 0.985 280 V HN 0.136 nan 8.190 nan 0.000 0.454 281 P HA -0.120 nan 4.420 nan 0.000 0.214 281 P C 0.225 177.642 177.300 0.196 0.000 1.162 281 P CA 1.486 64.664 63.100 0.129 0.000 0.879 281 P CB 0.286 32.055 31.700 0.116 0.000 0.786 282 Y N 0.194 120.501 120.300 0.012 0.000 2.513 282 Y HA 0.470 5.020 4.550 -0.000 0.000 0.341 282 Y C 0.693 176.572 175.900 -0.036 0.000 1.075 282 Y CA -1.061 57.036 58.100 -0.006 0.000 1.190 282 Y CB 0.499 38.961 38.460 0.002 0.000 1.111 282 Y HN -0.053 nan 8.280 nan 0.000 0.644 283 G N 1.406 110.207 108.800 0.002 0.000 2.593 283 G HA2 0.312 4.272 3.960 -0.000 0.000 0.279 283 G HA3 0.312 4.272 3.960 -0.000 0.000 0.279 283 G C 0.046 174.757 174.900 -0.315 0.000 1.329 283 G CA 0.509 45.526 45.100 -0.138 0.000 1.036 283 G HN 0.479 nan 8.290 nan 0.000 0.555 284 T N -3.622 110.756 114.554 -0.294 0.000 2.864 284 T HA 0.556 4.906 4.350 -0.000 0.000 0.289 284 T C -2.287 172.229 174.700 -0.307 0.000 1.082 284 T CA -1.301 60.546 62.100 -0.422 0.000 1.009 284 T CB 1.907 70.496 68.868 -0.465 0.000 1.234 284 T HN 0.136 nan 8.240 nan 0.000 0.526 285 P HA 0.204 nan 4.420 nan 0.000 0.231 285 P C 0.575 177.850 177.300 -0.042 0.000 1.158 285 P CA 0.617 63.654 63.100 -0.105 0.000 0.763 285 P CB 0.000 31.718 31.700 0.030 0.000 0.805 286 L N -2.009 119.112 121.223 -0.170 0.000 3.168 286 L HA 0.218 4.558 4.340 -0.000 0.000 0.277 286 L C 0.491 177.245 176.870 -0.192 0.000 1.245 286 L CA -0.100 54.583 54.840 -0.262 0.000 1.035 286 L CB 0.359 42.150 42.059 -0.447 0.000 1.399 286 L HN -0.234 nan 8.230 nan 0.000 0.580 287 S N -0.049 115.564 115.700 -0.145 0.000 2.548 287 S HA 0.319 4.789 4.470 -0.000 0.000 0.277 287 S C 0.063 174.630 174.600 -0.056 0.000 1.315 287 S CA -0.242 57.899 58.200 -0.098 0.000 1.050 287 S CB 1.047 64.181 63.200 -0.110 0.000 0.918 287 S HN -0.024 nan 8.310 nan 0.000 0.497 288 V N 7.099 127.006 119.914 -0.011 0.000 2.235 288 V HA 0.193 4.313 4.120 -0.000 0.000 0.266 288 V C 0.949 177.032 176.094 -0.018 0.000 1.055 288 V CA -0.728 61.597 62.300 0.041 0.000 0.844 288 V CB 0.584 32.496 31.823 0.149 0.000 1.097 288 V HN 0.832 nan 8.190 nan 0.000 0.453 289 N N 3.033 121.715 118.700 -0.030 0.000 2.069 289 N HA -0.161 4.579 4.740 -0.000 0.000 0.196 289 N C 0.117 175.336 175.510 -0.485 0.000 1.024 289 N CA 1.881 54.816 53.050 -0.191 0.000 0.869 289 N CB -0.065 38.412 38.487 -0.016 0.000 1.035 289 N HN 0.543 nan 8.380 nan 0.000 0.434 290 F N -0.433 119.558 119.950 0.069 0.000 2.577 290 F HA 0.565 5.092 4.527 -0.000 0.000 0.344 290 F C 0.788 176.585 175.800 -0.006 0.000 1.145 290 F CA -0.792 57.263 58.000 0.093 0.000 0.996 290 F CB 1.963 41.079 39.000 0.194 0.000 1.248 290 F HN -0.094 nan 8.300 nan 0.000 0.447 291 G N 2.221 110.967 108.800 -0.090 0.000 3.135 291 G HA2 0.642 4.602 3.960 -0.000 0.000 0.278 291 G HA3 0.642 4.602 3.960 -0.000 0.000 0.278 291 G C -3.193 171.368 174.900 -0.565 0.000 1.302 291 G CA -2.024 42.648 45.100 -0.714 0.000 0.880 291 G HN 0.122 nan 8.290 nan 0.000 0.574 292 P HA 0.220 nan 4.420 nan 0.000 0.264 292 P C -0.065 177.124 177.300 -0.184 0.000 1.183 292 P CA 0.481 63.337 63.100 -0.407 0.000 0.763 292 P CB 0.881 32.248 31.700 -0.556 0.000 0.807 293 T N -1.386 113.138 114.554 -0.052 0.000 2.865 293 T HA 0.444 4.794 4.350 -0.000 0.000 0.294 293 T C -0.554 174.152 174.700 0.011 0.000 1.119 293 T CA -0.841 61.252 62.100 -0.012 0.000 1.007 293 T CB 0.705 69.595 68.868 0.038 0.000 1.225 293 T HN -0.057 nan 8.240 nan 0.000 0.515 294 V N 3.403 123.325 119.914 0.014 0.000 2.313 294 V HA 0.190 4.310 4.120 -0.000 0.000 0.252 294 V C 1.086 177.210 176.094 0.050 0.000 1.112 294 V CA -0.292 62.022 62.300 0.023 0.000 0.984 294 V CB -0.320 31.508 31.823 0.008 0.000 1.157 294 V HN 1.031 nan 8.190 nan 0.000 0.493 295 D N 3.083 123.534 120.400 0.086 0.000 2.249 295 D HA 0.042 4.682 4.640 -0.000 0.000 0.205 295 D C 1.539 177.898 176.300 0.097 0.000 0.962 295 D CA 1.138 55.203 54.000 0.108 0.000 0.860 295 D CB 0.302 41.204 40.800 0.171 0.000 0.955 295 D HN 0.763 nan 8.370 nan 0.000 0.505 296 G N 0.597 109.451 108.800 0.091 0.000 2.176 296 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.232 296 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.232 296 G C 0.467 175.427 174.900 0.099 0.000 0.986 296 G CA 0.514 45.657 45.100 0.071 0.000 0.643 296 G HN 0.510 nan 8.290 nan 0.000 0.522 297 D N -1.127 119.375 120.400 0.171 0.000 3.203 297 D HA 0.229 4.869 4.640 -0.000 0.000 0.249 297 D C 1.768 178.238 176.300 0.283 0.000 1.522 297 D CA 0.513 54.664 54.000 0.252 0.000 1.248 297 D CB -0.380 40.635 40.800 0.359 0.000 1.126 297 D HN 0.143 nan 8.370 nan 0.000 0.326 298 F N 1.273 121.340 119.950 0.195 0.000 2.146 298 F HA 0.219 4.746 4.527 -0.000 0.000 0.298 298 F C 0.715 176.459 175.800 -0.094 0.000 1.096 298 F CA 0.963 58.895 58.000 -0.113 0.000 1.275 298 F CB 0.303 38.970 39.000 -0.555 0.000 1.008 298 F HN -0.065 nan 8.300 nan 0.000 0.480 299 L N 0.816 122.102 121.223 0.105 0.000 2.305 299 L HA 0.214 4.554 4.340 -0.000 0.000 0.284 299 L C 1.048 177.918 176.870 -0.001 0.000 1.013 299 L CA -0.110 54.728 54.840 -0.002 0.000 0.819 299 L CB 1.703 43.783 42.059 0.035 0.000 1.227 299 L HN 0.138 nan 8.230 nan 0.000 0.417 300 T N -1.648 112.882 114.554 -0.040 0.000 3.065 300 T HA 0.134 4.484 4.350 -0.000 0.000 0.252 300 T C 0.250 174.937 174.700 -0.023 0.000 1.099 300 T CA 0.007 62.095 62.100 -0.021 0.000 1.063 300 T CB 0.295 69.143 68.868 -0.033 0.000 0.948 300 T HN 0.483 nan 8.240 nan 0.000 0.506 301 D N -0.389 119.988 120.400 -0.038 0.000 2.653 301 D HA 0.280 4.920 4.640 -0.000 0.000 0.258 301 D C -1.041 175.231 176.300 -0.045 0.000 1.252 301 D CA -0.770 53.211 54.000 -0.032 0.000 0.777 301 D CB 1.509 42.289 40.800 -0.032 0.000 1.339 301 D HN 0.087 nan 8.370 nan 0.000 0.422 302 M N 2.783 122.367 119.600 -0.028 0.000 2.336 302 M HA 0.051 4.531 4.480 -0.000 0.000 0.371 302 M C -1.222 175.044 176.300 -0.057 0.000 1.542 302 M CA -0.627 54.656 55.300 -0.030 0.000 0.959 302 M CB 0.596 33.195 32.600 -0.001 0.000 2.033 302 M HN 0.237 nan 8.290 nan 0.000 0.472 303 P HA -0.239 nan 4.420 nan 0.000 0.218 303 P C 0.393 177.668 177.300 -0.041 0.000 1.146 303 P CA 1.551 64.459 63.100 -0.321 0.000 0.813 303 P CB -0.192 31.114 31.700 -0.656 0.000 0.778 304 D N 0.463 120.949 120.400 0.143 0.000 2.144 304 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 304 D C 2.189 178.591 176.300 0.171 0.000 0.984 304 D CA 0.962 55.107 54.000 0.242 0.000 0.834 304 D CB -1.071 39.822 40.800 0.155 0.000 0.955 304 D HN 0.289 nan 8.370 nan 0.000 0.465 305 I N 0.580 121.205 120.570 0.091 0.000 2.233 305 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 305 I C 2.713 178.867 176.117 0.061 0.000 1.093 305 I CA 0.500 61.841 61.300 0.069 0.000 1.380 305 I CB -0.351 37.668 38.000 0.031 0.000 1.067 305 I HN -0.094 nan 8.210 nan 0.000 0.413 306 L N 0.395 121.634 121.223 0.026 0.000 2.051 306 L HA -0.263 4.077 4.340 -0.000 0.000 0.214 306 L C 2.669 179.617 176.870 0.130 0.000 1.076 306 L CA 1.213 56.060 54.840 0.012 0.000 0.758 306 L CB -0.687 41.349 42.059 -0.039 0.000 0.890 306 L HN 0.317 nan 8.230 nan 0.000 0.433 307 L N 0.322 121.701 121.223 0.260 0.000 1.988 307 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 307 L C 2.511 179.584 176.870 0.337 0.000 1.071 307 L CA 1.953 57.050 54.840 0.428 0.000 0.744 307 L CB -0.664 41.717 42.059 0.536 0.000 0.893 307 L HN 0.177 nan 8.230 nan 0.000 0.433 308 E N -0.048 120.302 120.200 0.250 0.000 2.114 308 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 308 E C 1.749 178.508 176.600 0.264 0.000 1.008 308 E CA 1.999 58.546 56.400 0.246 0.000 0.810 308 E CB -0.453 29.351 29.700 0.173 0.000 0.739 308 E HN 0.600 nan 8.360 nan 0.000 0.456 309 L N -0.961 120.319 121.223 0.094 0.000 2.653 309 L HA 0.320 4.660 4.340 -0.000 0.000 0.232 309 L C 1.234 177.745 176.870 -0.598 0.000 1.169 309 L CA 0.140 54.969 54.840 -0.017 0.000 0.951 309 L CB -0.191 41.851 42.059 -0.029 0.000 1.181 309 L HN 0.379 nan 8.230 nan 0.000 0.460 310 G N 0.171 108.367 108.800 -1.008 0.000 2.225 310 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.267 310 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.267 310 G C 0.343 174.179 174.900 -1.774 0.000 1.024 310 G CA -0.071 43.581 45.100 -2.412 0.000 0.784 310 G HN 0.392 nan 8.290 nan 0.000 0.507 311 Q N -0.348 118.925 119.800 -0.877 0.000 3.027 311 Q HA 0.502 4.841 4.340 -0.000 0.000 0.260 311 Q C 0.016 175.841 176.000 -0.292 0.000 1.379 311 Q CA 0.206 55.691 55.803 -0.530 0.000 1.038 311 Q CB -0.721 27.863 28.738 -0.257 0.000 1.578 311 Q HN 0.854 nan 8.270 nan 0.000 0.571 312 F N -2.329 117.513 119.950 -0.180 0.000 2.641 312 F HA 0.429 4.956 4.527 -0.000 0.000 0.308 312 F C -0.136 175.693 175.800 0.049 0.000 1.105 312 F CA -1.869 56.127 58.000 -0.006 0.000 0.964 312 F CB 0.915 39.979 39.000 0.106 0.000 1.294 312 F HN -0.082 nan 8.300 nan 0.000 0.442 313 K N 2.525 123.161 120.400 0.393 0.000 2.511 313 K HA -0.018 4.302 4.320 -0.000 0.000 0.277 313 K C -0.590 176.189 176.600 0.298 0.000 1.025 313 K CA 0.115 56.539 56.287 0.228 0.000 1.112 313 K CB 0.460 32.943 32.500 -0.028 0.000 0.859 313 K HN 0.550 nan 8.250 nan 0.000 0.485 314 K N 3.443 123.939 120.400 0.160 0.000 2.284 314 K HA 0.182 4.502 4.320 -0.000 0.000 0.287 314 K C -0.117 176.588 176.600 0.175 0.000 1.081 314 K CA -0.126 56.250 56.287 0.149 0.000 0.910 314 K CB 1.347 33.882 32.500 0.058 0.000 1.088 314 K HN 0.823 nan 8.250 nan 0.000 0.478 315 T N 1.243 116.001 114.554 0.340 0.000 2.677 315 T HA 0.241 4.591 4.350 -0.000 0.000 0.305 315 T C -1.488 173.470 174.700 0.431 0.000 1.569 315 T CA -0.691 61.572 62.100 0.272 0.000 0.984 315 T CB 0.791 69.733 68.868 0.123 0.000 1.629 315 T HN 0.359 nan 8.240 nan 0.000 0.494 316 Q N 1.224 121.217 119.800 0.322 0.000 2.306 316 Q HA 0.744 5.084 4.340 -0.000 0.000 0.241 316 Q C -0.073 176.217 176.000 0.483 0.000 0.948 316 Q CA -0.390 55.672 55.803 0.432 0.000 0.886 316 Q CB 0.854 29.862 28.738 0.449 0.000 1.227 316 Q HN 0.685 nan 8.270 nan 0.000 0.457 317 I N -1.929 118.862 120.570 0.369 0.000 2.769 317 I HA 0.604 4.774 4.170 -0.000 0.000 0.298 317 I C -1.457 174.576 176.117 -0.139 0.000 1.128 317 I CA -1.312 60.051 61.300 0.104 0.000 1.031 317 I CB 1.763 39.619 38.000 -0.240 0.000 1.235 317 I HN 0.490 nan 8.210 nan 0.000 0.423 318 L N 5.950 126.852 121.223 -0.534 0.000 2.316 318 L HA 0.712 5.052 4.340 -0.000 0.000 0.280 318 L C -1.274 175.400 176.870 -0.327 0.000 1.006 318 L CA -0.614 53.811 54.840 -0.692 0.000 0.836 318 L CB 1.548 42.697 42.059 -1.517 0.000 1.221 318 L HN 0.559 nan 8.230 nan 0.000 0.418 319 V N 3.616 123.408 119.914 -0.202 0.000 2.864 319 V HA 0.958 5.078 4.120 -0.000 0.000 0.314 319 V C 0.278 175.852 176.094 -0.867 0.000 1.073 319 V CA -0.353 61.754 62.300 -0.323 0.000 0.956 319 V CB 1.822 33.542 31.823 -0.171 0.000 1.023 319 V HN 0.870 nan 8.190 nan 0.000 0.435 320 G N 1.205 109.318 108.800 -1.144 0.000 2.559 320 G HA2 0.761 4.721 3.960 -0.000 0.000 0.291 320 G HA3 0.761 4.721 3.960 -0.000 0.000 0.291 320 G C -1.488 172.795 174.900 -1.029 0.000 1.424 320 G CA 0.096 43.960 45.100 -2.060 0.000 0.786 320 G HN 1.423 nan 8.290 nan 0.000 0.485 321 V N -2.623 116.907 119.914 -0.641 0.000 3.188 321 V HA 0.704 4.824 4.120 -0.000 0.000 0.305 321 V C -0.706 175.471 176.094 0.139 0.000 1.232 321 V CA -1.481 60.794 62.300 -0.043 0.000 1.043 321 V CB 1.573 33.509 31.823 0.190 0.000 1.068 321 V HN 0.815 nan 8.190 nan 0.000 0.439 322 N N 0.914 119.698 118.700 0.140 0.000 2.509 322 N HA 0.331 5.071 4.740 -0.000 0.000 0.287 322 N C 0.580 176.101 175.510 0.018 0.000 1.121 322 N CA -0.516 52.606 53.050 0.120 0.000 0.977 322 N CB 1.908 40.472 38.487 0.130 0.000 1.167 322 N HN 0.904 nan 8.380 nan 0.000 0.476 323 K N 0.785 121.076 120.400 -0.182 0.000 2.211 323 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 323 K C -0.393 176.271 176.600 0.106 0.000 1.047 323 K CA 1.315 57.519 56.287 -0.138 0.000 0.935 323 K CB 0.209 32.574 32.500 -0.225 0.000 0.728 323 K HN 0.558 nan 8.250 nan 0.000 0.452 324 D N 0.963 121.412 120.400 0.082 0.000 2.963 324 D HA 0.032 4.672 4.640 -0.000 0.000 0.361 324 D C 0.213 176.562 176.300 0.082 0.000 1.317 324 D CA -0.087 53.973 54.000 0.100 0.000 0.832 324 D CB 1.053 41.893 40.800 0.067 0.000 1.135 324 D HN 0.166 nan 8.370 nan 0.000 0.476 325 E N 0.502 120.763 120.200 0.101 0.000 2.097 325 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 325 E C 1.974 178.636 176.600 0.104 0.000 1.000 325 E CA 1.035 57.457 56.400 0.035 0.000 0.804 325 E CB 0.048 29.768 29.700 0.033 0.000 0.740 325 E HN 0.410 nan 8.360 nan 0.000 0.454 326 G N 1.363 110.262 108.800 0.165 0.000 2.404 326 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.215 326 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.215 326 G C 1.721 176.738 174.900 0.194 0.000 1.174 326 G CA 2.220 47.432 45.100 0.186 0.000 0.780 326 G HN 0.419 nan 8.290 nan 0.000 0.537 327 T N 0.824 115.449 114.554 0.117 0.000 2.602 327 T HA -0.343 4.007 4.350 -0.000 0.000 0.264 327 T C 2.522 177.188 174.700 -0.057 0.000 1.085 327 T CA 2.978 65.134 62.100 0.094 0.000 1.164 327 T CB -1.125 67.744 68.868 0.002 0.000 0.860 327 T HN 0.797 nan 8.240 nan 0.000 0.442 328 A N 1.458 124.114 122.820 -0.272 0.000 1.985 328 A HA -0.095 4.225 4.320 -0.000 0.000 0.223 328 A C 2.110 179.445 177.584 -0.415 0.000 1.189 328 A CA 2.283 53.973 52.037 -0.578 0.000 0.658 328 A CB -1.275 17.244 19.000 -0.801 0.000 0.820 328 A HN 0.685 nan 8.150 nan 0.000 0.464 329 F N -0.595 119.323 119.950 -0.053 0.000 2.615 329 F HA 0.155 4.682 4.527 -0.000 0.000 0.297 329 F C 1.857 177.815 175.800 0.263 0.000 1.124 329 F CA 0.382 58.437 58.000 0.093 0.000 1.451 329 F CB -0.320 38.727 39.000 0.078 0.000 1.103 329 F HN 0.078 nan 8.300 nan 0.000 0.569 330 L N 0.181 121.559 121.223 0.259 0.000 2.191 330 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 330 L C 2.140 179.084 176.870 0.124 0.000 1.103 330 L CA 0.914 55.742 54.840 -0.020 0.000 0.769 330 L CB -0.823 40.860 42.059 -0.627 0.000 0.908 330 L HN 0.178 nan 8.230 nan 0.000 0.438 331 V N -5.325 114.800 119.914 0.351 0.000 3.573 331 V HA -0.087 4.033 4.120 -0.000 0.000 0.270 331 V C 0.696 176.951 176.094 0.269 0.000 1.221 331 V CA 0.418 62.962 62.300 0.407 0.000 1.163 331 V CB -1.178 30.896 31.823 0.418 0.000 0.847 331 V HN 0.260 nan 8.190 nan 0.000 0.468 332 Y N 1.673 122.120 120.300 0.245 0.000 2.781 332 Y HA 0.719 5.269 4.550 -0.000 0.000 0.326 332 Y C 1.450 177.397 175.900 0.078 0.000 1.019 332 Y CA -0.199 57.996 58.100 0.159 0.000 1.372 332 Y CB 0.787 39.319 38.460 0.121 0.000 1.260 332 Y HN 0.342 nan 8.280 nan 0.000 0.546 333 G N -0.786 108.130 108.800 0.193 0.000 2.559 333 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.202 333 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.202 333 G C 0.019 174.995 174.900 0.127 0.000 0.992 333 G CA -0.333 44.830 45.100 0.105 0.000 0.764 333 G HN 0.485 nan 8.290 nan 0.000 0.525 334 A N 2.322 125.277 122.820 0.225 0.000 2.310 334 A HA 0.712 5.032 4.320 -0.000 0.000 0.300 334 A C -1.750 176.113 177.584 0.465 0.000 1.269 334 A CA -1.280 50.951 52.037 0.323 0.000 0.909 334 A CB 0.281 19.407 19.000 0.209 0.000 1.144 334 A HN 0.146 nan 8.150 nan 0.000 0.540 335 P HA 0.102 nan 4.420 nan 0.000 0.261 335 P C 0.926 178.344 177.300 0.198 0.000 1.183 335 P CA 1.688 64.928 63.100 0.233 0.000 0.761 335 P CB 0.746 32.543 31.700 0.161 0.000 0.785 336 G N 1.977 110.827 108.800 0.083 0.000 2.176 336 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.232 336 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.232 336 G C -0.245 174.494 174.900 -0.269 0.000 0.986 336 G CA -0.508 44.525 45.100 -0.111 0.000 0.643 336 G HN 0.426 nan 8.290 nan 0.000 0.522 337 F N 1.152 121.140 119.950 0.064 0.000 2.425 337 F HA 0.776 5.302 4.527 -0.000 0.000 0.331 337 F C 0.663 176.568 175.800 0.176 0.000 1.085 337 F CA 0.025 58.085 58.000 0.099 0.000 1.028 337 F CB 2.281 41.395 39.000 0.191 0.000 1.177 337 F HN 0.164 nan 8.300 nan 0.000 0.487 338 S N 1.192 117.148 115.700 0.427 0.000 2.542 338 S HA 0.247 4.717 4.470 -0.000 0.000 0.276 338 S C 0.006 174.876 174.600 0.451 0.000 1.148 338 S CA -0.944 57.467 58.200 0.351 0.000 0.886 338 S CB 1.189 64.502 63.200 0.189 0.000 1.109 338 S HN 0.736 nan 8.310 nan 0.000 0.458 339 K N 1.677 122.227 120.400 0.250 0.000 2.486 339 K HA 0.147 4.467 4.320 -0.000 0.000 0.194 339 K C 0.109 176.740 176.600 0.051 0.000 1.033 339 K CA 0.866 57.229 56.287 0.127 0.000 1.004 339 K CB -0.032 32.341 32.500 -0.213 0.000 0.798 339 K HN 0.414 nan 8.250 nan 0.000 0.495 340 D N 0.845 121.287 120.400 0.069 0.000 2.367 340 D HA 0.002 4.642 4.640 -0.000 0.000 0.207 340 D C -0.115 176.233 176.300 0.080 0.000 1.034 340 D CA 0.365 54.378 54.000 0.022 0.000 0.861 340 D CB 0.162 40.946 40.800 -0.026 0.000 0.943 340 D HN 0.472 nan 8.370 nan 0.000 0.515 341 N N -0.369 118.421 118.700 0.150 0.000 3.167 341 N HA 0.044 4.784 4.740 -0.000 0.000 0.323 341 N C 0.111 175.716 175.510 0.159 0.000 1.478 341 N CA -0.680 52.434 53.050 0.107 0.000 0.753 341 N CB -0.249 38.255 38.487 0.028 0.000 1.721 341 N HN -0.309 nan 8.380 nan 0.000 0.618 342 N N -1.594 117.123 118.700 0.028 0.000 2.449 342 N HA 0.055 4.795 4.740 -0.000 0.000 0.191 342 N C -0.686 174.577 175.510 -0.412 0.000 1.161 342 N CA -0.142 52.870 53.050 -0.063 0.000 0.863 342 N CB -0.217 38.244 38.487 -0.043 0.000 0.980 342 N HN 0.463 nan 8.380 nan 0.000 0.458 343 S N 0.089 115.542 115.700 -0.411 0.000 3.367 343 S HA -0.150 4.320 4.470 -0.000 0.000 0.375 343 S C 0.041 174.217 174.600 -0.708 0.000 0.962 343 S CA 0.185 57.985 58.200 -0.667 0.000 1.229 343 S CB -1.381 61.216 63.200 -1.005 0.000 0.905 343 S HN 0.414 nan 8.310 nan 0.000 0.482 344 I N 2.667 122.988 120.570 -0.414 0.000 2.460 344 I HA 0.119 4.289 4.170 -0.000 0.000 0.297 344 I C 0.862 176.806 176.117 -0.288 0.000 1.139 344 I CA 0.321 61.438 61.300 -0.304 0.000 1.340 344 I CB -0.778 37.113 38.000 -0.182 0.000 1.444 344 I HN 0.388 nan 8.210 nan 0.000 0.557 345 I N 3.736 124.118 120.570 -0.314 0.000 2.566 345 I HA 0.558 4.728 4.170 -0.000 0.000 0.303 345 I C 0.909 176.965 176.117 -0.102 0.000 0.983 345 I CA -0.583 60.582 61.300 -0.225 0.000 1.235 345 I CB 1.599 39.448 38.000 -0.252 0.000 1.386 345 I HN 0.482 nan 8.210 nan 0.000 0.494 346 T N 0.986 115.469 114.554 -0.119 0.000 2.833 346 T HA 0.273 4.623 4.350 -0.000 0.000 0.292 346 T C 1.003 175.446 174.700 -0.429 0.000 1.031 346 T CA -0.357 61.633 62.100 -0.184 0.000 0.937 346 T CB 0.982 69.777 68.868 -0.122 0.000 1.256 346 T HN 0.836 nan 8.240 nan 0.000 0.551 347 R N -0.012 120.101 120.500 -0.645 0.000 2.090 347 R HA -0.004 4.336 4.340 -0.000 0.000 0.228 347 R C 2.197 178.379 176.300 -0.197 0.000 1.110 347 R CA 0.970 56.560 56.100 -0.850 0.000 0.973 347 R CB -0.298 29.677 30.300 -0.541 0.000 0.869 347 R HN 0.518 nan 8.270 nan 0.000 0.440 348 K N 1.267 121.608 120.400 -0.099 0.000 2.097 348 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 348 K C 1.586 178.215 176.600 0.048 0.000 1.049 348 K CA 1.760 58.051 56.287 0.007 0.000 0.933 348 K CB -0.002 32.502 32.500 0.007 0.000 0.717 348 K HN 0.295 nan 8.250 nan 0.000 0.442 349 E N -1.160 119.057 120.200 0.028 0.000 2.106 349 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 349 E C 1.729 178.440 176.600 0.184 0.000 0.984 349 E CA 1.044 57.494 56.400 0.084 0.000 0.806 349 E CB -0.218 29.499 29.700 0.028 0.000 0.750 349 E HN 0.317 nan 8.360 nan 0.000 0.458 350 F N 1.961 121.942 119.950 0.051 0.000 2.113 350 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 350 F C 2.184 178.087 175.800 0.173 0.000 1.103 350 F CA 1.518 59.618 58.000 0.168 0.000 1.248 350 F CB -0.035 39.084 39.000 0.198 0.000 0.999 350 F HN -0.089 nan 8.300 nan 0.000 0.475 351 Q N -0.056 119.877 119.800 0.222 0.000 2.096 351 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 351 Q C 2.038 178.084 176.000 0.077 0.000 0.982 351 Q CA 1.686 57.570 55.803 0.136 0.000 0.850 351 Q CB -0.273 28.565 28.738 0.166 0.000 0.901 351 Q HN 0.435 nan 8.270 nan 0.000 0.422 352 E N -0.043 120.215 120.200 0.097 0.000 2.107 352 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 352 E C 2.077 178.747 176.600 0.118 0.000 0.982 352 E CA 1.057 57.523 56.400 0.109 0.000 0.809 352 E CB -0.459 29.309 29.700 0.113 0.000 0.756 352 E HN 0.465 nan 8.360 nan 0.000 0.459 353 G N 1.883 110.753 108.800 0.116 0.000 2.491 353 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 353 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 353 G C 1.751 176.765 174.900 0.189 0.000 1.180 353 G CA 0.922 46.123 45.100 0.168 0.000 0.774 353 G HN 0.200 nan 8.290 nan 0.000 0.562 354 L N -0.012 121.228 121.223 0.028 0.000 2.081 354 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 354 L C 2.908 179.948 176.870 0.284 0.000 1.080 354 L CA 1.446 56.402 54.840 0.193 0.000 0.754 354 L CB -0.332 41.736 42.059 0.015 0.000 0.893 354 L HN 0.188 nan 8.230 nan 0.000 0.433 355 K N -0.172 120.332 120.400 0.173 0.000 2.211 355 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 355 K C 1.972 178.620 176.600 0.080 0.000 1.047 355 K CA 1.007 57.392 56.287 0.163 0.000 0.935 355 K CB 0.006 32.603 32.500 0.161 0.000 0.728 355 K HN 0.276 nan 8.250 nan 0.000 0.452 356 I N -0.552 120.022 120.570 0.007 0.000 2.406 356 I HA -0.166 4.004 4.170 -0.000 0.000 0.249 356 I C 1.605 177.390 176.117 -0.554 0.000 1.122 356 I CA 1.458 62.578 61.300 -0.298 0.000 1.431 356 I CB -0.375 37.423 38.000 -0.337 0.000 1.087 356 I HN 0.074 nan 8.210 nan 0.000 0.424 357 F N -0.329 119.470 119.950 -0.251 0.000 2.505 357 F HA 0.100 4.627 4.527 -0.000 0.000 0.289 357 F C 0.680 176.038 175.800 -0.737 0.000 1.101 357 F CA 0.298 57.974 58.000 -0.540 0.000 1.446 357 F CB 0.015 38.595 39.000 -0.701 0.000 1.123 357 F HN -0.196 nan 8.300 nan 0.000 0.564 358 F N 1.485 121.496 119.950 0.102 0.000 2.371 358 F HA 0.348 4.875 4.527 -0.000 0.000 0.343 358 F C -1.845 173.989 175.800 0.058 0.000 1.150 358 F CA -2.335 55.720 58.000 0.091 0.000 1.220 358 F CB 0.304 39.377 39.000 0.122 0.000 1.475 358 F HN -0.219 nan 8.300 nan 0.000 0.521 359 P HA -0.000 nan 4.420 nan 0.000 0.219 359 P C 1.384 178.764 177.300 0.132 0.000 1.154 359 P CA 1.009 64.143 63.100 0.056 0.000 0.826 359 P CB 0.478 32.081 31.700 -0.162 0.000 0.795 360 G N 0.076 108.946 108.800 0.116 0.000 3.371 360 G HA2 0.260 4.220 3.960 -0.000 0.000 0.248 360 G HA3 0.260 4.220 3.960 -0.000 0.000 0.248 360 G C 0.265 175.227 174.900 0.102 0.000 1.161 360 G CA -0.020 45.142 45.100 0.103 0.000 0.796 360 G HN 0.099 nan 8.290 nan 0.000 0.539 361 V N 1.564 121.569 119.914 0.153 0.000 2.567 361 V HA 0.393 4.513 4.120 -0.000 0.000 0.289 361 V C 1.041 177.198 176.094 0.105 0.000 1.049 361 V CA -0.750 61.630 62.300 0.133 0.000 0.969 361 V CB 1.393 33.369 31.823 0.255 0.000 0.995 361 V HN 0.426 nan 8.190 nan 0.000 0.471 362 S N 2.378 118.115 115.700 0.061 0.000 2.587 362 S HA 0.023 4.493 4.470 -0.000 0.000 0.260 362 S C 1.086 175.754 174.600 0.112 0.000 1.353 362 S CA 0.504 58.755 58.200 0.085 0.000 0.995 362 S CB 0.703 63.959 63.200 0.093 0.000 0.912 362 S HN 0.834 nan 8.310 nan 0.000 0.568 363 E N 0.982 121.261 120.200 0.131 0.000 2.072 363 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 363 E C 1.578 178.279 176.600 0.168 0.000 0.985 363 E CA 1.708 58.191 56.400 0.139 0.000 0.801 363 E CB -0.578 29.201 29.700 0.132 0.000 0.750 363 E HN 0.768 nan 8.360 nan 0.000 0.452 364 F N 0.233 120.220 119.950 0.062 0.000 2.102 364 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 364 F C 2.059 177.924 175.800 0.108 0.000 1.105 364 F CA 1.938 59.982 58.000 0.073 0.000 1.239 364 F CB -0.610 38.419 39.000 0.047 0.000 0.991 364 F HN 0.141 nan 8.300 nan 0.000 0.474 365 G N 0.592 109.304 108.800 -0.146 0.000 2.469 365 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 365 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 365 G C 1.638 176.512 174.900 -0.043 0.000 1.136 365 G CA 1.028 46.001 45.100 -0.212 0.000 0.759 365 G HN 0.379 nan 8.290 nan 0.000 0.562 366 K N 0.178 120.587 120.400 0.014 0.000 2.217 366 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 366 K C 2.297 178.932 176.600 0.058 0.000 1.051 366 K CA 0.857 57.167 56.287 0.039 0.000 0.952 366 K CB -0.011 32.540 32.500 0.086 0.000 0.736 366 K HN 0.392 nan 8.250 nan 0.000 0.453 367 E N 0.520 120.736 120.200 0.028 0.000 2.107 367 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 367 E C 1.949 178.589 176.600 0.067 0.000 0.982 367 E CA 0.828 57.272 56.400 0.073 0.000 0.809 367 E CB 0.186 29.940 29.700 0.090 0.000 0.756 367 E HN 0.151 nan 8.360 nan 0.000 0.459 368 S N 0.983 116.652 115.700 -0.052 0.000 2.348 368 S HA -0.156 4.314 4.470 -0.000 0.000 0.221 368 S C 2.041 176.715 174.600 0.124 0.000 1.033 368 S CA 0.849 59.114 58.200 0.108 0.000 1.010 368 S CB -0.229 63.118 63.200 0.245 0.000 0.891 368 S HN 0.200 nan 8.310 nan 0.000 0.442 369 I N 1.496 122.135 120.570 0.115 0.000 2.091 369 I HA -0.247 3.922 4.170 -0.000 0.000 0.239 369 I C 2.441 178.632 176.117 0.123 0.000 1.061 369 I CA 1.298 62.566 61.300 -0.053 0.000 1.317 369 I CB -0.483 37.469 38.000 -0.080 0.000 1.031 369 I HN 0.241 nan 8.210 nan 0.000 0.401 370 L N 0.222 121.588 121.223 0.239 0.000 1.997 370 L HA -0.320 4.020 4.340 -0.000 0.000 0.216 370 L C 2.613 179.545 176.870 0.103 0.000 1.074 370 L CA 1.968 57.014 54.840 0.345 0.000 0.763 370 L CB -0.458 41.822 42.059 0.368 0.000 0.890 370 L HN 0.188 nan 8.230 nan 0.000 0.434 371 F N -0.323 119.597 119.950 -0.051 0.000 2.126 371 F HA -0.304 4.223 4.527 -0.000 0.000 0.299 371 F C 2.432 178.076 175.800 -0.260 0.000 1.096 371 F CA 2.140 60.053 58.000 -0.145 0.000 1.255 371 F CB -0.342 38.605 39.000 -0.088 0.000 0.997 371 F HN 0.272 nan 8.300 nan 0.000 0.479 372 H N -1.737 117.131 119.070 -0.336 0.000 2.462 372 H HA -0.099 4.457 4.556 -0.000 0.000 0.292 372 H C 1.134 176.035 175.328 -0.712 0.000 1.049 372 H CA 2.001 57.657 56.048 -0.653 0.000 1.334 372 H CB -0.274 28.821 29.762 -1.113 0.000 1.404 372 H HN 0.404 nan 8.280 nan 0.000 0.544 373 Y N -0.531 119.494 120.300 -0.458 0.000 2.458 373 Y HA 0.128 4.678 4.550 -0.000 0.000 0.256 373 Y C 0.782 176.313 175.900 -0.616 0.000 1.159 373 Y CA 0.542 58.413 58.100 -0.382 0.000 1.261 373 Y CB 0.722 39.154 38.460 -0.046 0.000 1.119 373 Y HN 0.206 nan 8.280 nan 0.000 0.524 374 T N -2.786 111.302 114.554 -0.776 0.000 3.390 374 T HA 0.248 4.598 4.350 -0.000 0.000 0.315 374 T C -0.630 173.158 174.700 -1.520 0.000 1.799 374 T CA -0.581 60.591 62.100 -1.547 0.000 1.553 374 T CB 0.017 68.255 68.868 -1.050 0.000 1.002 374 T HN 0.063 nan 8.240 nan 0.000 0.715 375 D N 1.614 121.272 120.400 -1.237 0.000 2.607 375 D HA 0.274 4.914 4.640 -0.000 0.000 0.318 375 D C -0.130 175.899 176.300 -0.452 0.000 1.212 375 D CA -0.721 52.797 54.000 -0.804 0.000 0.861 375 D CB 0.048 40.445 40.800 -0.671 0.000 1.064 375 D HN 0.579 nan 8.370 nan 0.000 0.500 376 W N 1.372 122.522 121.300 -0.251 0.000 2.226 376 W HA 0.237 4.897 4.660 -0.000 0.000 0.352 376 W C 0.908 177.338 176.519 -0.149 0.000 1.277 376 W CA -0.772 56.454 57.345 -0.200 0.000 1.305 376 W CB 0.369 29.712 29.460 -0.195 0.000 1.193 376 W HN 0.028 nan 8.180 nan 0.000 0.596 381 R N 0.778 121.137 120.500 -0.235 0.000 3.329 381 R HA 0.115 4.455 4.340 -0.000 0.000 0.251 381 R C -2.553 173.575 176.300 -0.287 0.000 1.023 381 R CA -0.575 55.376 56.100 -0.248 0.000 1.009 381 R CB 0.862 30.987 30.300 -0.291 0.000 1.250 381 R HN -0.224 nan 8.270 nan 0.000 0.518 382 P HA -0.102 nan 4.420 nan 0.000 0.215 382 P C 0.137 177.334 177.300 -0.171 0.000 1.157 382 P CA 1.172 64.180 63.100 -0.154 0.000 0.856 382 P CB 0.172 31.809 31.700 -0.104 0.000 0.786 383 E N -0.327 119.769 120.200 -0.174 0.000 2.296 383 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 383 E C 0.812 177.284 176.600 -0.215 0.000 1.143 383 E CA -0.097 56.211 56.400 -0.154 0.000 1.145 383 E CB -0.900 28.745 29.700 -0.092 0.000 1.215 383 E HN 0.149 nan 8.360 nan 0.000 0.447 384 N N 0.716 119.165 118.700 -0.418 0.000 2.109 384 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 384 N C 1.181 176.354 175.510 -0.562 0.000 1.034 384 N CA 1.097 53.658 53.050 -0.814 0.000 0.846 384 N CB -0.382 36.981 38.487 -1.873 0.000 1.010 384 N HN 0.282 nan 8.380 nan 0.000 0.425 385 Y N 1.358 121.458 120.300 -0.334 0.000 2.373 385 Y HA 0.060 4.610 4.550 -0.000 0.000 0.293 385 Y C 2.560 178.540 175.900 0.134 0.000 1.129 385 Y CA 0.675 58.742 58.100 -0.054 0.000 1.226 385 Y CB -0.090 38.374 38.460 0.006 0.000 1.000 385 Y HN 0.029 nan 8.280 nan 0.000 0.549 386 R N 0.844 121.448 120.500 0.173 0.000 2.066 386 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 386 R C 1.728 178.197 176.300 0.282 0.000 1.131 386 R CA 1.928 58.141 56.100 0.188 0.000 0.955 386 R CB -0.151 30.080 30.300 -0.115 0.000 0.851 386 R HN 0.380 nan 8.270 nan 0.000 0.432 387 E N -0.233 120.071 120.200 0.173 0.000 2.208 387 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 387 E C 1.844 178.593 176.600 0.248 0.000 0.988 387 E CA 0.845 57.367 56.400 0.204 0.000 0.828 387 E CB 0.016 29.793 29.700 0.129 0.000 0.763 387 E HN 0.451 nan 8.360 nan 0.000 0.478 388 A N 1.050 124.029 122.820 0.266 0.000 1.930 388 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 388 A C 2.110 179.945 177.584 0.419 0.000 1.175 388 A CA 0.842 53.079 52.037 0.334 0.000 0.627 388 A CB -0.352 18.783 19.000 0.226 0.000 0.815 388 A HN 0.201 nan 8.150 nan 0.000 0.443 389 L N -0.079 121.481 121.223 0.562 0.000 2.109 389 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 389 L C 2.382 179.305 176.870 0.088 0.000 1.086 389 L CA 1.943 57.023 54.840 0.400 0.000 0.760 389 L CB -0.945 41.367 42.059 0.422 0.000 0.910 389 L HN 0.311 nan 8.230 nan 0.000 0.437 390 G N -1.035 107.860 108.800 0.158 0.000 2.453 390 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 390 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 390 G C 1.289 176.232 174.900 0.073 0.000 1.201 390 G CA 0.816 45.983 45.100 0.111 0.000 0.784 390 G HN 0.403 nan 8.290 nan 0.000 0.545 391 D N 0.306 120.788 120.400 0.136 0.000 2.149 391 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 391 D C 2.765 179.064 176.300 -0.002 0.000 0.990 391 D CA 0.959 55.056 54.000 0.163 0.000 0.839 391 D CB -0.355 40.644 40.800 0.331 0.000 0.948 391 D HN 0.179 nan 8.370 nan 0.000 0.460 392 V N 1.148 120.896 119.914 -0.275 0.000 2.231 392 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 392 V C 2.761 178.704 176.094 -0.253 0.000 1.054 392 V CA 1.319 63.363 62.300 -0.426 0.000 1.015 392 V CB -0.576 31.062 31.823 -0.307 0.000 0.638 392 V HN 0.055 nan 8.190 nan 0.000 0.444 393 V N 0.606 120.353 119.914 -0.278 0.000 2.343 393 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 393 V C 2.572 178.537 176.094 -0.215 0.000 1.051 393 V CA 2.177 64.249 62.300 -0.379 0.000 1.036 393 V CB -1.432 29.997 31.823 -0.657 0.000 0.654 393 V HN 0.627 nan 8.190 nan 0.000 0.451 394 G N -0.188 108.585 108.800 -0.046 0.000 2.453 394 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 394 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 394 G C 1.232 176.185 174.900 0.088 0.000 1.201 394 G CA 1.082 46.264 45.100 0.136 0.000 0.784 394 G HN 0.492 nan 8.290 nan 0.000 0.545 395 D N -0.464 119.963 120.400 0.046 0.000 2.092 395 D HA -0.152 4.488 4.640 -0.000 0.000 0.193 395 D C 2.012 178.126 176.300 -0.311 0.000 0.994 395 D CA 1.153 55.177 54.000 0.040 0.000 0.828 395 D CB -0.503 40.505 40.800 0.347 0.000 0.963 395 D HN 0.344 nan 8.370 nan 0.000 0.450 396 Y N 1.818 121.560 120.300 -0.930 0.000 2.145 396 Y HA -0.130 4.419 4.550 -0.000 0.000 0.286 396 Y C 1.799 177.324 175.900 -0.626 0.000 1.145 396 Y CA 1.541 58.907 58.100 -1.224 0.000 1.148 396 Y CB -0.307 37.191 38.460 -1.603 0.000 0.981 396 Y HN -0.053 nan 8.280 nan 0.000 0.507 397 N N -1.251 116.976 118.700 -0.789 0.000 2.376 397 N HA -0.037 4.703 4.740 -0.000 0.000 0.177 397 N C 0.963 175.898 175.510 -0.958 0.000 1.024 397 N CA 1.410 53.850 53.050 -1.016 0.000 0.893 397 N CB -0.026 37.730 38.487 -1.218 0.000 0.980 397 N HN 0.376 nan 8.380 nan 0.000 0.439 398 F N 0.206 120.083 119.950 -0.121 0.000 2.362 398 F HA 0.344 4.871 4.527 -0.000 0.000 0.264 398 F C 2.149 177.952 175.800 0.005 0.000 0.905 398 F CA -0.496 57.498 58.000 -0.009 0.000 1.142 398 F CB -0.453 38.579 39.000 0.053 0.000 1.250 398 F HN -0.251 nan 8.300 nan 0.000 0.771 399 I N 0.655 121.383 120.570 0.263 0.000 2.087 399 I HA -0.394 3.776 4.170 -0.000 0.000 0.240 399 I C 2.260 178.460 176.117 0.137 0.000 1.054 399 I CA 1.712 63.146 61.300 0.223 0.000 1.311 399 I CB -0.642 37.498 38.000 0.233 0.000 1.024 399 I HN 0.357 nan 8.210 nan 0.000 0.402 400 c N 0.476 119.130 118.600 0.090 0.000 2.432 400 c HA -0.068 4.502 4.570 -0.000 0.000 0.277 400 c C 0.384 174.494 174.090 0.033 0.000 1.249 400 c CA 0.855 57.239 56.329 0.091 0.000 1.725 400 c CB -2.026 40.592 42.510 0.180 0.000 2.028 400 c HN 0.368 nan 8.230 nan 0.000 0.477 401 P HA -0.097 nan 4.420 nan 0.000 0.215 401 P C 1.616 178.889 177.300 -0.045 0.000 1.153 401 P CA 2.457 65.495 63.100 -0.104 0.000 0.853 401 P CB -0.182 31.359 31.700 -0.264 0.000 0.788 402 A N -0.675 122.158 122.820 0.021 0.000 1.908 402 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 402 A C 2.210 179.907 177.584 0.189 0.000 1.181 402 A CA 1.573 53.683 52.037 0.122 0.000 0.627 402 A CB -1.688 17.443 19.000 0.218 0.000 0.818 402 A HN 0.118 nan 8.150 nan 0.000 0.445 403 L N -1.198 120.059 121.223 0.055 0.000 2.056 403 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 403 L C 2.677 179.502 176.870 -0.075 0.000 1.078 403 L CA 1.620 56.351 54.840 -0.181 0.000 0.749 403 L CB -0.418 41.505 42.059 -0.228 0.000 0.901 403 L HN 0.394 nan 8.230 nan 0.000 0.433 404 E N 0.196 120.400 120.200 0.006 0.000 2.077 404 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 404 E C 1.932 178.544 176.600 0.021 0.000 0.989 404 E CA 1.362 57.780 56.400 0.030 0.000 0.800 404 E CB -0.300 29.424 29.700 0.040 0.000 0.746 404 E HN 0.339 nan 8.360 nan 0.000 0.452 405 F N 0.765 120.632 119.950 -0.138 0.000 2.069 405 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 405 F C 2.198 177.947 175.800 -0.085 0.000 1.113 405 F CA 2.241 60.129 58.000 -0.185 0.000 1.214 405 F CB -0.926 37.872 39.000 -0.337 0.000 0.978 405 F HN -0.015 nan 8.300 nan 0.000 0.474 406 T N 0.982 115.515 114.554 -0.035 0.000 2.607 406 T HA -0.329 4.021 4.350 -0.000 0.000 0.267 406 T C 1.956 176.567 174.700 -0.148 0.000 1.049 406 T CA 2.133 64.133 62.100 -0.167 0.000 1.162 406 T CB -0.495 68.220 68.868 -0.255 0.000 0.863 406 T HN 0.308 nan 8.240 nan 0.000 0.424 407 K N 0.858 121.213 120.400 -0.075 0.000 2.001 407 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 407 K C 2.284 178.968 176.600 0.139 0.000 1.050 407 K CA 1.419 57.815 56.287 0.182 0.000 0.934 407 K CB -0.046 32.576 32.500 0.203 0.000 0.718 407 K HN 0.036 nan 8.250 nan 0.000 0.443 408 K N 0.127 120.571 120.400 0.073 0.000 2.103 408 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 408 K C 2.034 178.775 176.600 0.234 0.000 1.048 408 K CA 1.342 57.718 56.287 0.149 0.000 0.930 408 K CB -0.484 32.089 32.500 0.122 0.000 0.716 408 K HN 0.285 nan 8.250 nan 0.000 0.444 409 F N 2.121 121.961 119.950 -0.184 0.000 2.186 409 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 409 F C 2.102 177.997 175.800 0.158 0.000 1.090 409 F CA 1.206 59.081 58.000 -0.208 0.000 1.307 409 F CB 0.074 38.633 39.000 -0.734 0.000 1.019 409 F HN -0.050 nan 8.300 nan 0.000 0.489 410 S N -0.234 115.647 115.700 0.302 0.000 2.383 410 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 410 S C 1.630 176.312 174.600 0.136 0.000 1.026 410 S CA 1.193 59.542 58.200 0.250 0.000 0.981 410 S CB -0.522 62.837 63.200 0.265 0.000 0.818 410 S HN 0.452 nan 8.310 nan 0.000 0.472 411 E N -0.142 120.121 120.200 0.105 0.000 2.393 411 E HA -0.158 4.192 4.350 -0.000 0.000 0.201 411 E C 0.051 176.406 176.600 -0.408 0.000 1.025 411 E CA 0.845 57.173 56.400 -0.120 0.000 0.856 411 E CB -0.098 29.536 29.700 -0.110 0.000 0.771 411 E HN 0.685 nan 8.360 nan 0.000 0.526 412 W N -0.540 120.753 121.300 -0.012 0.000 3.015 412 W HA 0.334 4.994 4.660 -0.000 0.000 0.429 412 W C 1.284 177.758 176.519 -0.076 0.000 0.976 412 W CA 0.323 57.624 57.345 -0.074 0.000 2.086 412 W CB 0.738 30.109 29.460 -0.148 0.000 1.125 412 W HN 0.113 nan 8.180 nan 0.000 0.721 413 G N 0.531 109.358 108.800 0.044 0.000 2.358 413 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.224 413 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.224 413 G C 0.361 175.313 174.900 0.086 0.000 1.073 413 G CA -0.067 45.061 45.100 0.047 0.000 0.635 413 G HN 0.281 nan 8.290 nan 0.000 0.509 414 N N 1.944 120.721 118.700 0.128 0.000 2.508 414 N HA 0.447 5.187 4.740 -0.000 0.000 0.264 414 N C -0.182 175.459 175.510 0.218 0.000 1.216 414 N CA -0.177 52.995 53.050 0.204 0.000 0.943 414 N CB 0.277 38.959 38.487 0.325 0.000 1.113 414 N HN 0.311 nan 8.380 nan 0.000 0.447 415 N N 0.312 119.127 118.700 0.192 0.000 2.497 415 N HA 0.408 5.148 4.740 -0.000 0.000 0.268 415 N C -0.856 174.701 175.510 0.079 0.000 1.171 415 N CA -0.145 52.946 53.050 0.069 0.000 0.948 415 N CB 0.699 39.256 38.487 0.117 0.000 1.069 415 N HN 0.674 nan 8.380 nan 0.000 0.460 416 A N 2.012 124.747 122.820 -0.142 0.000 2.401 416 A HA 0.804 5.124 4.320 -0.000 0.000 0.310 416 A C -1.372 175.958 177.584 -0.423 0.000 1.075 416 A CA -0.584 51.415 52.037 -0.065 0.000 0.746 416 A CB 0.785 19.852 19.000 0.112 0.000 1.277 416 A HN 0.486 nan 8.150 nan 0.000 0.425 417 F N 0.655 120.589 119.950 -0.027 0.000 2.539 417 F HA 0.606 5.132 4.527 -0.000 0.000 0.318 417 F C -0.717 175.239 175.800 0.259 0.000 1.135 417 F CA -0.474 57.479 58.000 -0.079 0.000 0.915 417 F CB 2.051 40.452 39.000 -0.998 0.000 1.176 417 F HN 0.532 nan 8.300 nan 0.000 0.440 418 F N 4.762 125.124 119.950 0.687 0.000 2.482 418 F HA 0.597 5.123 4.527 -0.000 0.000 0.331 418 F C -0.923 175.368 175.800 0.818 0.000 1.115 418 F CA -1.234 57.087 58.000 0.535 0.000 0.955 418 F CB 1.003 40.126 39.000 0.204 0.000 1.136 418 F HN 0.457 nan 8.300 nan 0.000 0.452 419 Y N 3.737 124.236 120.300 0.332 0.000 2.621 419 Y HA 0.692 5.242 4.550 -0.000 0.000 0.334 419 Y C -2.080 174.057 175.900 0.395 0.000 1.074 419 Y CA -1.735 56.559 58.100 0.323 0.000 1.149 419 Y CB 1.155 39.720 38.460 0.175 0.000 1.302 419 Y HN 0.549 nan 8.280 nan 0.000 0.501 420 Y N 2.971 123.591 120.300 0.532 0.000 2.373 420 Y HA 0.367 4.917 4.550 -0.000 0.000 0.327 420 Y C -1.964 174.208 175.900 0.454 0.000 1.036 420 Y CA -2.412 55.939 58.100 0.418 0.000 1.265 420 Y CB 0.634 39.346 38.460 0.421 0.000 1.108 420 Y HN 0.742 nan 8.280 nan 0.000 0.471 421 F N 6.667 126.710 119.950 0.154 0.000 2.438 421 F HA 0.264 4.791 4.527 -0.000 0.000 0.360 421 F C 0.658 176.313 175.800 -0.241 0.000 1.118 421 F CA 0.108 58.115 58.000 0.012 0.000 1.164 421 F CB 0.616 39.681 39.000 0.108 0.000 1.131 421 F HN 0.635 nan 8.300 nan 0.000 0.527 422 E N 3.522 123.411 120.200 -0.519 0.000 2.736 422 E HA 0.075 4.425 4.350 -0.000 0.000 0.208 422 E C -0.829 175.526 176.600 -0.408 0.000 0.996 422 E CA -0.446 55.712 56.400 -0.402 0.000 1.104 422 E CB -0.071 29.484 29.700 -0.242 0.000 1.111 422 E HN 0.577 nan 8.360 nan 0.000 0.455 423 H N 1.631 120.158 119.070 -0.905 0.000 2.504 423 H HA 0.304 4.860 4.556 -0.000 0.000 0.322 423 H C -0.817 174.339 175.328 -0.287 0.000 1.055 423 H CA -0.822 54.814 56.048 -0.686 0.000 1.231 423 H CB 0.946 30.106 29.762 -1.004 0.000 1.417 423 H HN 0.031 nan 8.280 nan 0.000 0.472 424 R N 4.340 124.418 120.500 -0.703 0.000 2.265 424 R HA 0.224 4.564 4.340 -0.000 0.000 0.314 424 R C -0.303 175.665 176.300 -0.553 0.000 1.053 424 R CA -0.372 55.474 56.100 -0.423 0.000 0.931 424 R CB 0.556 30.732 30.300 -0.208 0.000 1.024 424 R HN 0.699 nan 8.270 nan 0.000 0.457 425 S N 1.998 117.625 115.700 -0.121 0.000 2.558 425 S HA -0.073 4.396 4.470 -0.000 0.000 0.293 425 S C 1.450 176.129 174.600 0.132 0.000 1.292 425 S CA 0.273 58.593 58.200 0.200 0.000 1.063 425 S CB 0.700 64.150 63.200 0.417 0.000 0.831 425 S HN 0.782 nan 8.310 nan 0.000 0.499 426 S N 4.230 120.078 115.700 0.246 0.000 2.428 426 S HA 0.027 4.497 4.470 -0.000 0.000 0.230 426 S C 1.320 175.964 174.600 0.074 0.000 1.014 426 S CA 0.538 58.827 58.200 0.149 0.000 0.957 426 S CB -0.208 63.104 63.200 0.187 0.000 0.784 426 S HN 0.798 nan 8.310 nan 0.000 0.499 427 K N 0.670 121.117 120.400 0.077 0.000 2.426 427 K HA 0.264 4.584 4.320 -0.000 0.000 0.193 427 K C 0.193 176.801 176.600 0.014 0.000 1.028 427 K CA -0.291 55.977 56.287 -0.031 0.000 1.047 427 K CB -0.088 32.296 32.500 -0.192 0.000 0.821 427 K HN 0.316 nan 8.250 nan 0.000 0.513 428 L N 4.205 125.462 121.223 0.056 0.000 2.737 428 L HA -0.039 4.301 4.340 -0.000 0.000 0.275 428 L C -1.301 175.565 176.870 -0.006 0.000 1.179 428 L CA 0.105 54.955 54.840 0.017 0.000 0.970 428 L CB 0.478 42.522 42.059 -0.026 0.000 1.268 428 L HN 0.057 nan 8.230 nan 0.000 0.485 429 P HA -0.109 nan 4.420 nan 0.000 0.225 429 P C 0.033 177.333 177.300 -0.000 0.000 1.156 429 P CA 0.670 63.702 63.100 -0.114 0.000 0.787 429 P CB 0.152 31.624 31.700 -0.380 0.000 0.802 430 W N 2.393 123.685 121.300 -0.013 0.000 2.183 430 W HA 0.291 4.951 4.660 -0.000 0.000 0.348 430 W C -1.546 174.877 176.519 -0.159 0.000 1.257 430 W CA -2.055 55.270 57.345 -0.033 0.000 1.324 430 W CB -0.810 28.519 29.460 -0.218 0.000 1.144 430 W HN -0.134 nan 8.180 nan 0.000 0.622 431 P HA -0.055 nan 4.420 nan 0.000 0.271 431 P C 0.407 177.622 177.300 -0.142 0.000 1.233 431 P CA 0.271 63.318 63.100 -0.089 0.000 0.789 431 P CB 0.914 32.548 31.700 -0.110 0.000 0.951 432 E N 0.884 121.071 120.200 -0.023 0.000 2.085 432 E HA -0.157 4.192 4.350 -0.000 0.000 0.194 432 E C 1.911 178.542 176.600 0.052 0.000 0.994 432 E CA 1.471 57.880 56.400 0.016 0.000 0.801 432 E CB -0.623 29.119 29.700 0.070 0.000 0.743 432 E HN 0.725 nan 8.360 nan 0.000 0.453 433 W N 0.373 121.710 121.300 0.062 0.000 2.424 433 W HA -0.100 4.560 4.660 -0.000 0.000 0.264 433 W C 1.337 177.906 176.519 0.082 0.000 1.229 433 W CA 0.441 57.831 57.345 0.074 0.000 1.208 433 W CB -0.637 28.878 29.460 0.090 0.000 1.127 433 W HN -0.013 nan 8.180 nan 0.000 0.588 434 M N 1.271 120.614 119.600 -0.429 0.000 2.556 434 M HA 0.159 4.639 4.480 -0.000 0.000 0.245 434 M C 1.775 177.964 176.300 -0.185 0.000 1.128 434 M CA 1.085 56.064 55.300 -0.536 0.000 1.069 434 M CB -0.482 31.586 32.600 -0.886 0.000 1.469 434 M HN 0.124 nan 8.290 nan 0.000 0.494 435 G N 0.880 109.629 108.800 -0.084 0.000 2.602 435 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.306 435 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.306 435 G C -0.060 174.796 174.900 -0.073 0.000 1.301 435 G CA -0.121 44.955 45.100 -0.039 0.000 0.974 435 G HN 0.217 nan 8.290 nan 0.000 0.547 436 V N 2.381 122.276 119.914 -0.032 0.000 2.242 436 V HA 0.262 4.382 4.120 -0.000 0.000 0.242 436 V C 1.303 177.416 176.094 0.032 0.000 1.240 436 V CA 0.567 62.873 62.300 0.009 0.000 1.211 436 V CB -0.479 31.356 31.823 0.021 0.000 1.338 436 V HN 0.474 nan 8.190 nan 0.000 0.499 437 M N 2.357 121.941 119.600 -0.027 0.000 2.240 437 M HA 0.171 4.651 4.480 -0.000 0.000 0.317 437 M C 0.658 177.016 176.300 0.096 0.000 1.087 437 M CA -0.183 55.091 55.300 -0.044 0.000 1.176 437 M CB 0.016 32.454 32.600 -0.269 0.000 1.439 437 M HN 0.585 nan 8.290 nan 0.000 0.452 438 H N 0.538 119.535 119.070 -0.122 0.000 3.034 438 H HA 0.205 4.761 4.556 -0.000 0.000 0.324 438 H C 1.101 176.307 175.328 -0.203 0.000 1.015 438 H CA 1.714 57.617 56.048 -0.241 0.000 1.429 438 H CB 0.272 29.790 29.762 -0.407 0.000 1.429 438 H HN 0.762 nan 8.280 nan 0.000 0.585 439 G N 3.525 111.872 108.800 -0.755 0.000 2.212 439 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.266 439 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.266 439 G C 0.449 175.134 174.900 -0.357 0.000 0.978 439 G CA 0.608 45.301 45.100 -0.678 0.000 0.632 439 G HN 0.660 nan 8.290 nan 0.000 0.537 440 Y N 1.161 121.423 120.300 -0.063 0.000 2.645 440 Y HA 0.325 4.875 4.550 -0.000 0.000 0.307 440 Y C 2.023 177.911 175.900 -0.020 0.000 1.151 440 Y CA 0.654 58.802 58.100 0.080 0.000 1.291 440 Y CB 0.429 38.977 38.460 0.147 0.000 1.135 440 Y HN 0.501 nan 8.280 nan 0.000 0.523 441 E N -0.537 119.520 120.200 -0.238 0.000 2.465 441 E HA 0.017 4.367 4.350 -0.000 0.000 0.209 441 E C 1.480 177.926 176.600 -0.256 0.000 0.951 441 E CA 0.398 56.336 56.400 -0.769 0.000 0.997 441 E CB -0.399 28.557 29.700 -1.239 0.000 1.025 441 E HN 0.526 nan 8.360 nan 0.000 0.500 442 I N 2.619 123.149 120.570 -0.067 0.000 2.264 442 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 442 I C 2.550 178.696 176.117 0.049 0.000 1.111 442 I CA 2.144 63.486 61.300 0.069 0.000 1.382 442 I CB -0.377 37.736 38.000 0.187 0.000 1.060 442 I HN 0.229 nan 8.210 nan 0.000 0.418 443 E N 0.857 121.042 120.200 -0.024 0.000 2.106 443 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 443 E C 2.104 178.538 176.600 -0.277 0.000 0.984 443 E CA 1.233 57.536 56.400 -0.162 0.000 0.806 443 E CB -0.533 29.065 29.700 -0.171 0.000 0.750 443 E HN 0.380 nan 8.360 nan 0.000 0.458 444 F N 1.559 121.383 119.950 -0.211 0.000 2.186 444 F HA -0.093 4.433 4.527 -0.000 0.000 0.299 444 F C 2.370 177.970 175.800 -0.335 0.000 1.090 444 F CA 0.764 58.614 58.000 -0.249 0.000 1.307 444 F CB -0.229 38.699 39.000 -0.120 0.000 1.019 444 F HN -0.134 nan 8.300 nan 0.000 0.489 445 V N -1.281 118.494 119.914 -0.231 0.000 2.515 445 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 445 V C 1.532 177.392 176.094 -0.391 0.000 1.058 445 V CA 1.479 63.473 62.300 -0.510 0.000 1.064 445 V CB -0.709 30.780 31.823 -0.557 0.000 0.675 445 V HN 0.210 nan 8.190 nan 0.000 0.461 446 F N 0.451 120.234 119.950 -0.278 0.000 2.692 446 F HA 0.429 4.956 4.527 -0.000 0.000 0.303 446 F C 1.807 177.489 175.800 -0.196 0.000 1.114 446 F CA 0.568 58.442 58.000 -0.211 0.000 1.361 446 F CB -0.160 38.692 39.000 -0.247 0.000 1.063 446 F HN 0.249 nan 8.300 nan 0.000 0.550 447 G N 0.248 108.948 108.800 -0.168 0.000 2.187 447 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.261 447 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.261 447 G C 1.130 175.652 174.900 -0.629 0.000 1.000 447 G CA 0.508 45.437 45.100 -0.285 0.000 0.718 447 G HN 0.341 nan 8.290 nan 0.000 0.519 448 L N 0.479 121.306 121.223 -0.660 0.000 2.079 448 L HA 0.022 4.362 4.340 -0.000 0.000 0.210 448 L C 0.315 176.769 176.870 -0.693 0.000 1.081 448 L CA 2.711 57.097 54.840 -0.757 0.000 0.752 448 L CB -0.969 40.826 42.059 -0.440 0.000 0.896 448 L HN 0.203 nan 8.230 nan 0.000 0.433 449 P HA -0.071 nan 4.420 nan 0.000 0.234 449 P C 1.750 178.773 177.300 -0.462 0.000 1.167 449 P CA 0.873 63.382 63.100 -0.984 0.000 0.763 449 P CB 0.069 30.971 31.700 -1.330 0.000 0.835 450 L N -0.867 120.096 121.223 -0.434 0.000 2.291 450 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 450 L C 1.224 177.856 176.870 -0.396 0.000 1.120 450 L CA 0.572 55.190 54.840 -0.371 0.000 0.799 450 L CB -0.639 41.247 42.059 -0.290 0.000 0.925 450 L HN 0.011 nan 8.230 nan 0.000 0.446 451 E N 0.741 120.836 120.200 -0.174 0.000 2.166 451 E HA -0.005 4.345 4.350 -0.000 0.000 0.279 451 E C 0.886 177.498 176.600 0.020 0.000 1.095 451 E CA -0.157 56.301 56.400 0.098 0.000 0.888 451 E CB 0.534 30.344 29.700 0.183 0.000 1.041 451 E HN -0.069 nan 8.360 nan 0.000 0.414 452 R N 3.416 123.908 120.500 -0.013 0.000 2.339 452 R HA 0.022 4.362 4.340 -0.000 0.000 0.199 452 R C 0.537 176.852 176.300 0.024 0.000 1.018 452 R CA 0.354 56.450 56.100 -0.007 0.000 1.036 452 R CB -0.387 29.890 30.300 -0.038 0.000 0.899 452 R HN 0.442 nan 8.270 nan 0.000 0.473 453 R N 0.827 121.357 120.500 0.051 0.000 1.583 453 R HA 0.050 4.390 4.340 -0.000 0.000 0.125 453 R C 0.829 177.133 176.300 0.007 0.000 0.977 453 R CA 0.233 56.351 56.100 0.029 0.000 1.738 453 R CB -1.073 29.255 30.300 0.046 0.000 0.679 453 R HN 0.060 nan 8.270 nan 0.000 0.652 454 D N 2.213 122.611 120.400 -0.004 0.000 3.057 454 D HA -0.215 4.425 4.640 -0.000 0.000 0.206 454 D C -0.524 175.631 176.300 -0.241 0.000 1.152 454 D CA 0.911 54.857 54.000 -0.090 0.000 0.654 454 D CB -0.548 40.240 40.800 -0.019 0.000 1.069 454 D HN 0.250 nan 8.370 nan 0.000 0.403 455 Q N -1.712 118.001 119.800 -0.145 0.000 2.439 455 Q HA -0.217 4.123 4.340 -0.000 0.000 0.361 455 Q C -1.108 174.750 176.000 -0.236 0.000 1.408 455 Q CA 0.974 56.682 55.803 -0.158 0.000 1.052 455 Q CB -2.054 26.581 28.738 -0.171 0.000 1.233 455 Q HN 0.583 nan 8.270 nan 0.000 0.347 456 Y N -1.218 119.056 120.300 -0.043 0.000 2.462 456 Y HA 0.459 5.009 4.550 -0.000 0.000 0.346 456 Y C 1.092 176.986 175.900 -0.009 0.000 0.976 456 Y CA -0.711 57.370 58.100 -0.031 0.000 1.044 456 Y CB 1.580 39.976 38.460 -0.106 0.000 1.230 456 Y HN 0.314 nan 8.280 nan 0.000 0.455 457 T N -1.024 113.663 114.554 0.222 0.000 2.734 457 T HA 0.006 4.355 4.350 -0.000 0.000 0.314 457 T C 1.152 175.900 174.700 0.081 0.000 1.057 457 T CA -0.380 61.795 62.100 0.124 0.000 1.047 457 T CB 0.955 69.896 68.868 0.122 0.000 0.991 457 T HN 0.727 nan 8.240 nan 0.000 0.540 458 K N 1.226 121.648 120.400 0.037 0.000 2.025 458 K HA 0.098 4.418 4.320 -0.000 0.000 0.207 458 K C 2.466 179.061 176.600 -0.009 0.000 1.049 458 K CA 1.772 58.061 56.287 0.003 0.000 0.933 458 K CB -1.199 31.298 32.500 -0.005 0.000 0.714 458 K HN 0.756 nan 8.250 nan 0.000 0.438 459 A N 1.024 123.841 122.820 -0.005 0.000 1.940 459 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 459 A C 1.956 179.513 177.584 -0.045 0.000 1.176 459 A CA 1.952 53.967 52.037 -0.036 0.000 0.631 459 A CB -0.583 18.388 19.000 -0.048 0.000 0.814 459 A HN 0.566 nan 8.150 nan 0.000 0.446 460 E N -0.850 119.362 120.200 0.020 0.000 2.204 460 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 460 E C 2.001 178.632 176.600 0.051 0.000 0.989 460 E CA 0.962 57.448 56.400 0.143 0.000 0.824 460 E CB -0.072 29.808 29.700 0.300 0.000 0.756 460 E HN 0.820 nan 8.360 nan 0.000 0.477 461 E N 0.968 121.142 120.200 -0.044 0.000 2.046 461 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 461 E C 2.106 178.659 176.600 -0.078 0.000 0.982 461 E CA 0.653 56.986 56.400 -0.112 0.000 0.800 461 E CB 0.040 29.673 29.700 -0.111 0.000 0.756 461 E HN 0.216 nan 8.360 nan 0.000 0.449 462 I N 1.005 121.542 120.570 -0.054 0.000 2.208 462 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 462 I C 2.599 178.696 176.117 -0.034 0.000 1.097 462 I CA 0.567 61.839 61.300 -0.046 0.000 1.363 462 I CB -0.292 37.681 38.000 -0.045 0.000 1.051 462 I HN 0.235 nan 8.210 nan 0.000 0.413 463 L N 0.247 121.455 121.223 -0.025 0.000 2.027 463 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 463 L C 2.667 179.573 176.870 0.061 0.000 1.074 463 L CA 1.973 56.805 54.840 -0.013 0.000 0.745 463 L CB -0.652 41.353 42.059 -0.090 0.000 0.898 463 L HN 0.131 nan 8.230 nan 0.000 0.433 464 S N -0.929 114.847 115.700 0.126 0.000 2.382 464 S HA -0.238 4.232 4.470 -0.000 0.000 0.228 464 S C 2.264 176.830 174.600 -0.057 0.000 1.027 464 S CA 1.362 59.585 58.200 0.038 0.000 0.991 464 S CB -0.339 62.748 63.200 -0.189 0.000 0.823 464 S HN 0.498 nan 8.310 nan 0.000 0.469 465 R N 1.076 121.541 120.500 -0.058 0.000 2.081 465 R HA 0.053 4.393 4.340 -0.000 0.000 0.235 465 R C 2.572 178.868 176.300 -0.008 0.000 1.131 465 R CA 2.034 58.106 56.100 -0.046 0.000 0.960 465 R CB -1.147 29.122 30.300 -0.051 0.000 0.856 465 R HN 0.389 nan 8.270 nan 0.000 0.436 466 S N -0.471 115.231 115.700 0.003 0.000 2.355 466 S HA -0.041 4.429 4.470 -0.000 0.000 0.222 466 S C 1.909 176.550 174.600 0.069 0.000 1.031 466 S CA 1.353 59.576 58.200 0.037 0.000 0.993 466 S CB -0.245 62.969 63.200 0.024 0.000 0.859 466 S HN 0.384 nan 8.310 nan 0.000 0.453 467 I N 1.006 121.584 120.570 0.014 0.000 2.179 467 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 467 I C 2.297 178.398 176.117 -0.027 0.000 1.088 467 I CA 0.958 62.233 61.300 -0.042 0.000 1.357 467 I CB -0.383 37.438 38.000 -0.299 0.000 1.051 467 I HN 0.188 nan 8.210 nan 0.000 0.409 468 V N 1.098 120.961 119.914 -0.084 0.000 2.332 468 V HA -0.320 3.799 4.120 -0.000 0.000 0.248 468 V C 2.541 178.681 176.094 0.077 0.000 1.055 468 V CA 2.107 64.376 62.300 -0.050 0.000 1.038 468 V CB -0.655 31.132 31.823 -0.060 0.000 0.651 468 V HN 0.391 nan 8.190 nan 0.000 0.450 469 K N 0.753 121.208 120.400 0.092 0.000 2.002 469 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 469 K C 2.195 178.904 176.600 0.183 0.000 1.048 469 K CA 1.687 58.045 56.287 0.118 0.000 0.930 469 K CB -0.467 32.095 32.500 0.104 0.000 0.714 469 K HN 0.350 nan 8.250 nan 0.000 0.438 470 R N -0.827 119.831 120.500 0.264 0.000 2.094 470 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 470 R C 2.460 178.989 176.300 0.381 0.000 1.137 470 R CA 2.012 58.330 56.100 0.364 0.000 0.943 470 R CB -0.639 29.998 30.300 0.561 0.000 0.850 470 R HN 0.411 nan 8.270 nan 0.000 0.433 471 W N 0.295 121.624 121.300 0.048 0.000 2.338 471 W HA -0.208 4.452 4.660 -0.000 0.000 0.304 471 W C 2.395 178.902 176.519 -0.021 0.000 1.212 471 W CA 0.795 58.147 57.345 0.011 0.000 1.264 471 W CB -0.166 29.253 29.460 -0.069 0.000 1.142 471 W HN 0.291 nan 8.180 nan 0.000 0.512 472 A N 0.504 123.426 122.820 0.171 0.000 1.873 472 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 472 A C 1.735 179.270 177.584 -0.081 0.000 1.186 472 A CA 1.798 53.840 52.037 0.008 0.000 0.616 472 A CB -1.091 17.913 19.000 0.008 0.000 0.823 472 A HN 0.209 nan 8.150 nan 0.000 0.442 473 N N -1.005 117.697 118.700 0.004 0.000 2.223 473 N HA -0.133 4.607 4.740 -0.000 0.000 0.185 473 N C 1.359 176.817 175.510 -0.088 0.000 1.016 473 N CA 1.404 54.446 53.050 -0.014 0.000 0.863 473 N CB -0.565 38.020 38.487 0.165 0.000 0.983 473 N HN 0.538 nan 8.380 nan 0.000 0.429 474 F N 1.461 121.297 119.950 -0.190 0.000 2.146 474 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 474 F C 2.124 177.787 175.800 -0.229 0.000 1.096 474 F CA 1.268 59.103 58.000 -0.275 0.000 1.275 474 F CB -0.493 38.264 39.000 -0.405 0.000 1.008 474 F HN 0.022 nan 8.300 nan 0.000 0.480 475 A N 0.497 123.136 122.820 -0.302 0.000 1.858 475 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 475 A C 2.271 179.609 177.584 -0.411 0.000 1.190 475 A CA 1.967 53.793 52.037 -0.351 0.000 0.617 475 A CB -0.721 18.159 19.000 -0.200 0.000 0.827 475 A HN 0.453 nan 8.150 nan 0.000 0.443 476 K N -1.574 118.521 120.400 -0.507 0.000 2.002 476 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 476 K C 1.451 177.680 176.600 -0.619 0.000 1.048 476 K CA 2.001 57.844 56.287 -0.741 0.000 0.930 476 K CB -0.300 31.321 32.500 -1.464 0.000 0.714 476 K HN 0.734 nan 8.250 nan 0.000 0.438 477 Y N -1.268 118.942 120.300 -0.150 0.000 2.481 477 Y HA 0.261 4.811 4.550 -0.000 0.000 0.247 477 Y C 1.102 176.888 175.900 -0.191 0.000 1.151 477 Y CA -0.220 57.801 58.100 -0.133 0.000 1.238 477 Y CB 1.214 39.629 38.460 -0.076 0.000 1.179 477 Y HN 0.217 nan 8.280 nan 0.000 0.524 478 G N 1.673 110.293 108.800 -0.300 0.000 2.160 478 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 478 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 478 G C -0.389 174.418 174.900 -0.155 0.000 1.008 478 G CA 0.307 45.147 45.100 -0.434 0.000 0.724 478 G HN 0.377 nan 8.290 nan 0.000 0.514 479 N N -0.258 118.367 118.700 -0.124 0.000 2.533 479 N HA 0.376 5.116 4.740 -0.000 0.000 0.289 479 N C -2.454 172.910 175.510 -0.244 0.000 1.103 479 N CA -1.578 51.340 53.050 -0.221 0.000 0.877 479 N CB 2.339 40.813 38.487 -0.022 0.000 1.419 479 N HN -0.023 nan 8.380 nan 0.000 0.517 480 P HA 0.014 nan 4.420 nan 0.000 0.269 480 P C -0.328 176.986 177.300 0.024 0.000 1.601 480 P CA 0.072 62.987 63.100 -0.309 0.000 0.831 480 P CB 0.162 31.352 31.700 -0.850 0.000 1.688 481 Q N 0.706 120.536 119.800 0.050 0.000 2.318 481 Q HA 0.221 4.561 4.340 -0.000 0.000 0.222 481 Q C 0.408 176.512 176.000 0.174 0.000 1.003 481 Q CA 0.222 56.121 55.803 0.160 0.000 0.936 481 Q CB 0.854 29.668 28.738 0.126 0.000 1.204 481 Q HN 0.133 nan 8.270 nan 0.000 0.524 482 E N 1.306 121.605 120.200 0.166 0.000 2.873 482 E HA 0.092 4.442 4.350 -0.000 0.000 0.232 482 E C 0.058 176.723 176.600 0.107 0.000 1.123 482 E CA -0.141 56.341 56.400 0.136 0.000 0.809 482 E CB 0.377 30.157 29.700 0.133 0.000 1.366 482 E HN 0.691 nan 8.360 nan 0.000 0.400 483 T N 0.163 114.774 114.554 0.095 0.000 3.072 483 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 483 T C 1.083 175.816 174.700 0.056 0.000 1.127 483 T CA 0.946 63.089 62.100 0.072 0.000 1.107 483 T CB 0.235 69.138 68.868 0.059 0.000 0.910 483 T HN 0.312 nan 8.240 nan 0.000 0.513 484 Q N 1.113 120.946 119.800 0.055 0.000 2.225 484 Q HA 0.180 4.520 4.340 -0.000 0.000 0.193 484 Q C 0.153 176.176 176.000 0.038 0.000 0.990 484 Q CA 0.009 55.837 55.803 0.042 0.000 0.841 484 Q CB -0.343 28.419 28.738 0.040 0.000 0.941 484 Q HN 0.374 nan 8.270 nan 0.000 0.516 485 N N 2.371 121.094 118.700 0.037 0.000 2.394 485 N HA 0.197 4.937 4.740 -0.000 0.000 0.288 485 N C -0.812 174.718 175.510 0.033 0.000 1.272 485 N CA 0.250 53.318 53.050 0.029 0.000 1.004 485 N CB 0.325 38.826 38.487 0.024 0.000 1.393 485 N HN 0.343 nan 8.380 nan 0.000 0.488 486 A N 1.699 124.537 122.820 0.031 0.000 2.353 486 A HA -0.061 4.259 4.320 -0.000 0.000 0.315 486 A C 0.327 177.932 177.584 0.035 0.000 1.307 486 A CA 0.383 52.440 52.037 0.033 0.000 1.294 486 A CB -1.041 17.974 19.000 0.026 0.000 0.769 486 A HN 0.527 nan 8.150 nan 0.000 0.428 487 S N 0.922 116.650 115.700 0.047 0.000 2.747 487 S HA 0.639 5.109 4.470 -0.000 0.000 0.300 487 S C 0.307 174.944 174.600 0.061 0.000 1.121 487 S CA -0.717 57.512 58.200 0.048 0.000 0.995 487 S CB 0.980 64.214 63.200 0.058 0.000 1.113 487 S HN 0.542 nan 8.310 nan 0.000 0.547 488 T N 2.387 116.974 114.554 0.054 0.000 2.916 488 T HA 0.196 4.546 4.350 -0.000 0.000 0.303 488 T C 0.504 175.273 174.700 0.114 0.000 1.025 488 T CA 0.177 62.316 62.100 0.064 0.000 1.142 488 T CB 0.532 69.422 68.868 0.035 0.000 0.947 488 T HN 0.603 nan 8.240 nan 0.000 0.544 489 S N 2.317 118.099 115.700 0.137 0.000 2.576 489 S HA 0.189 4.659 4.470 -0.000 0.000 0.276 489 S C -0.714 174.074 174.600 0.313 0.000 1.339 489 S CA -0.680 57.644 58.200 0.207 0.000 1.039 489 S CB 0.172 63.476 63.200 0.174 0.000 0.902 489 S HN 0.663 nan 8.310 nan 0.000 0.516 490 W N 7.442 128.848 121.300 0.176 0.000 2.288 490 W HA 0.420 5.080 4.660 -0.000 0.000 0.325 490 W C -2.537 174.203 176.519 0.368 0.000 1.019 490 W CA -3.047 54.454 57.345 0.260 0.000 1.403 490 W CB 0.372 29.985 29.460 0.254 0.000 1.226 490 W HN 0.522 nan 8.180 nan 0.000 0.391 491 P HA 0.038 nan 4.420 nan 0.000 0.272 491 P C -0.307 177.183 177.300 0.318 0.000 1.230 491 P CA 0.002 63.344 63.100 0.402 0.000 0.788 491 P CB 1.718 33.577 31.700 0.264 0.000 0.949 492 V N 2.258 122.193 119.914 0.036 0.000 2.775 492 V HA 0.043 4.163 4.120 -0.000 0.000 0.299 492 V C 0.510 176.566 176.094 -0.063 0.000 1.062 492 V CA -0.071 62.038 62.300 -0.319 0.000 1.063 492 V CB -0.114 31.547 31.823 -0.269 0.000 0.994 492 V HN 0.430 nan 8.190 nan 0.000 0.483 493 F N 5.242 125.077 119.950 -0.191 0.000 2.404 493 F HA 0.405 4.931 4.527 -0.000 0.000 0.359 493 F C 0.448 176.237 175.800 -0.018 0.000 1.134 493 F CA -0.372 57.628 58.000 0.000 0.000 1.160 493 F CB 0.066 39.124 39.000 0.098 0.000 1.186 493 F HN 0.391 nan 8.300 nan 0.000 0.526 494 K N 3.401 123.631 120.400 -0.284 0.000 2.110 494 K HA 0.251 4.571 4.320 -0.000 0.000 0.263 494 K C 1.129 177.555 176.600 -0.290 0.000 0.975 494 K CA -0.434 55.752 56.287 -0.167 0.000 0.895 494 K CB 1.538 33.960 32.500 -0.130 0.000 1.060 494 K HN 0.590 nan 8.250 nan 0.000 0.448 495 S N 0.320 115.982 115.700 -0.063 0.000 2.462 495 S HA -0.179 4.291 4.470 -0.000 0.000 0.243 495 S C 1.564 176.116 174.600 -0.081 0.000 1.003 495 S CA 1.857 60.052 58.200 -0.008 0.000 0.970 495 S CB -0.427 62.794 63.200 0.035 0.000 0.762 495 S HN 0.846 nan 8.310 nan 0.000 0.510 496 T N -0.121 114.357 114.554 -0.126 0.000 3.071 496 T HA 0.228 4.578 4.350 -0.000 0.000 0.239 496 T C 1.539 176.157 174.700 -0.136 0.000 0.997 496 T CA 0.059 62.097 62.100 -0.103 0.000 1.134 496 T CB -0.183 68.641 68.868 -0.073 0.000 0.928 496 T HN 0.288 nan 8.240 nan 0.000 0.453 497 E N 1.415 121.507 120.200 -0.181 0.000 2.230 497 E HA 0.031 4.381 4.350 -0.000 0.000 0.192 497 E C -0.161 176.279 176.600 -0.266 0.000 0.987 497 E CA -0.003 56.295 56.400 -0.171 0.000 0.841 497 E CB -0.075 29.545 29.700 -0.133 0.000 0.783 497 E HN 0.573 nan 8.360 nan 0.000 0.481 498 Q N 1.364 120.829 119.800 -0.558 0.000 2.434 498 Q HA -0.208 4.132 4.340 -0.000 0.000 0.366 498 Q C -0.929 174.829 176.000 -0.404 0.000 1.398 498 Q CA 0.591 55.751 55.803 -1.072 0.000 1.074 498 Q CB -1.413 26.959 28.738 -0.610 0.000 1.236 498 Q HN 0.155 nan 8.270 nan 0.000 0.329 499 K N 1.730 121.982 120.400 -0.246 0.000 2.130 499 K HA 0.553 4.873 4.320 -0.000 0.000 0.268 499 K C -0.403 176.450 176.600 0.421 0.000 0.983 499 K CA -0.583 55.744 56.287 0.068 0.000 0.893 499 K CB 0.819 33.347 32.500 0.046 0.000 1.066 499 K HN 0.334 nan 8.250 nan 0.000 0.450 500 Y N -0.415 120.090 120.300 0.342 0.000 2.545 500 Y HA 0.610 5.160 4.550 -0.000 0.000 0.348 500 Y C -1.264 174.810 175.900 0.290 0.000 1.002 500 Y CA -1.681 56.721 58.100 0.503 0.000 1.039 500 Y CB 0.846 39.640 38.460 0.556 0.000 1.271 500 Y HN 0.373 nan 8.280 nan 0.000 0.467 501 L N 3.244 124.584 121.223 0.195 0.000 2.295 501 L HA 0.666 5.006 4.340 -0.000 0.000 0.285 501 L C -0.073 176.824 176.870 0.044 0.000 1.035 501 L CA -0.136 54.589 54.840 -0.191 0.000 0.806 501 L CB 1.582 43.078 42.059 -0.938 0.000 1.214 501 L HN 0.956 nan 8.230 nan 0.000 0.426 502 T N 3.242 117.833 114.554 0.062 0.000 2.845 502 T HA 0.561 4.911 4.350 -0.000 0.000 0.288 502 T C -0.183 174.531 174.700 0.024 0.000 0.980 502 T CA -0.682 61.540 62.100 0.204 0.000 1.071 502 T CB 0.753 69.761 68.868 0.233 0.000 0.941 502 T HN 0.512 nan 8.240 nan 0.000 0.487 503 L N 3.612 124.845 121.223 0.016 0.000 2.280 503 L HA 0.577 4.917 4.340 -0.000 0.000 0.287 503 L C 0.194 176.880 176.870 -0.307 0.000 1.023 503 L CA -0.736 54.031 54.840 -0.122 0.000 0.819 503 L CB 0.946 42.988 42.059 -0.029 0.000 1.212 503 L HN 0.695 nan 8.230 nan 0.000 0.420 504 N N -0.119 118.419 118.700 -0.269 0.000 2.647 504 N HA 0.288 5.028 4.740 -0.000 0.000 0.266 504 N C 0.594 175.917 175.510 -0.312 0.000 1.373 504 N CA -0.104 52.758 53.050 -0.314 0.000 0.807 504 N CB 2.157 40.540 38.487 -0.173 0.000 1.513 504 N HN 0.534 nan 8.380 nan 0.000 0.505 505 T N -2.097 112.237 114.554 -0.368 0.000 3.014 505 T HA 0.130 4.480 4.350 -0.000 0.000 0.263 505 T C 0.880 175.479 174.700 -0.169 0.000 1.078 505 T CA 0.806 62.709 62.100 -0.328 0.000 1.135 505 T CB 0.145 68.768 68.868 -0.409 0.000 0.895 505 T HN 0.459 nan 8.240 nan 0.000 0.480 506 E N 2.297 122.421 120.200 -0.127 0.000 4.191 506 E HA 0.166 4.516 4.350 -0.000 0.000 0.576 506 E C 0.300 176.863 176.600 -0.061 0.000 0.354 506 E CA 0.265 56.623 56.400 -0.071 0.000 3.711 506 E CB -0.027 29.646 29.700 -0.045 0.000 2.371 506 E HN 0.491 nan 8.360 nan 0.000 0.331 507 S N 0.637 116.312 115.700 -0.040 0.000 2.410 507 S HA 0.174 4.644 4.470 -0.000 0.000 0.304 507 S C -0.111 174.470 174.600 -0.032 0.000 1.095 507 S CA -0.753 57.428 58.200 -0.030 0.000 1.089 507 S CB 1.158 64.348 63.200 -0.016 0.000 0.968 507 S HN 0.322 nan 8.310 nan 0.000 0.480 508 T N 3.422 117.952 114.554 -0.040 0.000 2.930 508 T HA 0.323 4.673 4.350 -0.000 0.000 0.306 508 T C -0.047 174.634 174.700 -0.031 0.000 1.045 508 T CA -0.093 61.981 62.100 -0.044 0.000 1.134 508 T CB 0.002 68.838 68.868 -0.054 0.000 0.961 508 T HN 0.773 nan 8.240 nan 0.000 0.545 509 R N 2.836 123.314 120.500 -0.036 0.000 2.808 509 R HA 0.560 4.900 4.340 -0.000 0.000 0.272 509 R C -1.289 174.957 176.300 -0.090 0.000 0.995 509 R CA -1.017 55.056 56.100 -0.044 0.000 0.917 509 R CB 1.411 31.692 30.300 -0.031 0.000 1.217 509 R HN 0.415 nan 8.270 nan 0.000 0.471 510 I N 2.008 122.524 120.570 -0.090 0.000 2.331 510 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 510 I C -0.048 175.941 176.117 -0.213 0.000 0.998 510 I CA 0.249 61.470 61.300 -0.132 0.000 1.267 510 I CB 1.308 39.286 38.000 -0.038 0.000 1.386 510 I HN 0.480 nan 8.210 nan 0.000 0.476 511 M N 3.894 123.219 119.600 -0.457 0.000 2.745 511 M HA 0.623 5.103 4.480 -0.000 0.000 0.290 511 M C -0.659 175.392 176.300 -0.415 0.000 1.262 511 M CA -0.620 54.419 55.300 -0.435 0.000 0.795 511 M CB 2.743 35.066 32.600 -0.462 0.000 1.758 511 M HN 0.610 nan 8.290 nan 0.000 0.461 512 T N -2.274 112.234 114.554 -0.077 0.000 2.906 512 T HA 0.531 4.881 4.350 -0.000 0.000 0.295 512 T C -0.968 173.885 174.700 0.254 0.000 1.075 512 T CA -1.138 61.023 62.100 0.102 0.000 1.005 512 T CB 1.549 70.422 68.868 0.007 0.000 1.136 512 T HN 0.682 nan 8.240 nan 0.000 0.498 513 K N 0.618 121.132 120.400 0.191 0.000 3.730 513 K HA -0.181 4.139 4.320 -0.000 0.000 0.276 513 K C -0.150 176.496 176.600 0.077 0.000 0.904 513 K CA -0.176 56.176 56.287 0.108 0.000 0.741 513 K CB -1.546 30.987 32.500 0.053 0.000 1.542 513 K HN 0.579 nan 8.250 nan 0.000 0.446 514 L N 1.792 122.993 121.223 -0.037 0.000 2.601 514 L HA -0.065 4.274 4.340 -0.000 0.000 0.277 514 L C 0.646 177.420 176.870 -0.161 0.000 1.219 514 L CA 0.759 55.408 54.840 -0.318 0.000 0.915 514 L CB 0.086 41.580 42.059 -0.941 0.000 1.160 514 L HN 0.440 nan 8.230 nan 0.000 0.494 515 R N 2.946 123.399 120.500 -0.079 0.000 3.416 515 R HA -0.274 4.066 4.340 -0.000 0.000 0.263 515 R C 1.190 177.528 176.300 0.065 0.000 1.053 515 R CA 0.718 56.835 56.100 0.028 0.000 0.705 515 R CB -2.368 27.976 30.300 0.073 0.000 1.124 515 R HN 0.921 nan 8.270 nan 0.000 0.444 516 A N 0.809 123.656 122.820 0.045 0.000 1.849 516 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 516 A C 2.025 179.655 177.584 0.078 0.000 1.202 516 A CA 1.804 53.874 52.037 0.055 0.000 0.629 516 A CB -0.342 18.683 19.000 0.042 0.000 0.834 516 A HN 0.551 nan 8.150 nan 0.000 0.447 517 Q N -1.067 118.778 119.800 0.075 0.000 2.084 517 Q HA -0.273 4.067 4.340 -0.000 0.000 0.202 517 Q C 2.251 178.361 176.000 0.183 0.000 0.978 517 Q CA 2.194 58.059 55.803 0.104 0.000 0.844 517 Q CB -0.134 28.637 28.738 0.056 0.000 0.898 517 Q HN 0.785 nan 8.270 nan 0.000 0.426 518 Q N -0.703 119.226 119.800 0.214 0.000 2.079 518 Q HA -0.086 4.253 4.340 -0.000 0.000 0.200 518 Q C 2.211 178.408 176.000 0.328 0.000 0.974 518 Q CA 1.580 57.548 55.803 0.275 0.000 0.840 518 Q CB -0.400 28.548 28.738 0.351 0.000 0.898 518 Q HN 0.362 nan 8.270 nan 0.000 0.430 519 c N 0.433 119.219 118.600 0.309 0.000 2.448 519 c HA 0.017 4.586 4.570 -0.000 0.000 0.280 519 c C 2.269 176.496 174.090 0.229 0.000 1.398 519 c CA 0.193 56.723 56.329 0.335 0.000 1.774 519 c CB -0.710 41.934 42.510 0.223 0.000 1.888 519 c HN 0.438 nan 8.230 nan 0.000 0.519 520 R N -0.215 120.367 120.500 0.137 0.000 2.115 520 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 520 R C 2.035 178.372 176.300 0.060 0.000 1.111 520 R CA 1.338 57.490 56.100 0.087 0.000 0.976 520 R CB -0.476 29.858 30.300 0.057 0.000 0.870 520 R HN 0.590 nan 8.270 nan 0.000 0.445 521 F N 0.008 119.831 119.950 -0.211 0.000 2.128 521 F HA -0.151 4.375 4.527 -0.000 0.000 0.295 521 F C 1.573 177.266 175.800 -0.179 0.000 1.100 521 F CA 1.285 59.068 58.000 -0.362 0.000 1.260 521 F CB -0.252 38.137 39.000 -1.018 0.000 1.009 521 F HN -0.051 nan 8.300 nan 0.000 0.476 522 W N 0.136 121.524 121.300 0.146 0.000 2.418 522 W HA -0.080 4.580 4.660 -0.000 0.000 0.292 522 W C 2.425 179.010 176.519 0.111 0.000 1.213 522 W CA 1.400 58.820 57.345 0.125 0.000 1.283 522 W CB -0.758 28.863 29.460 0.268 0.000 1.119 522 W HN -0.158 nan 8.180 nan 0.000 0.542 523 T N -1.345 113.387 114.554 0.296 0.000 3.009 523 T HA -0.041 4.309 4.350 -0.000 0.000 0.258 523 T C 1.671 176.444 174.700 0.121 0.000 1.063 523 T CA 1.473 63.689 62.100 0.193 0.000 1.139 523 T CB -0.103 68.859 68.868 0.157 0.000 0.890 523 T HN -0.037 nan 8.240 nan 0.000 0.471 524 S N 0.177 115.932 115.700 0.092 0.000 2.591 524 S HA 0.309 4.779 4.470 -0.000 0.000 0.235 524 S C 1.450 176.092 174.600 0.071 0.000 1.074 524 S CA -0.309 57.936 58.200 0.074 0.000 0.925 524 S CB -0.233 63.013 63.200 0.077 0.000 0.818 524 S HN 0.474 nan 8.310 nan 0.000 0.535 525 F N 1.300 121.153 119.950 -0.162 0.000 2.123 525 F HA 0.092 4.619 4.527 -0.000 0.000 0.289 525 F C 1.995 177.625 175.800 -0.284 0.000 1.099 525 F CA 0.839 58.696 58.000 -0.238 0.000 1.234 525 F CB -0.241 38.551 39.000 -0.345 0.000 1.034 525 F HN 0.147 nan 8.300 nan 0.000 0.479 526 F N 2.195 121.627 119.950 -0.864 0.000 2.115 526 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 526 F C -0.949 174.595 175.800 -0.425 0.000 1.092 526 F CA 1.618 59.119 58.000 -0.831 0.000 1.245 526 F CB -1.936 36.721 39.000 -0.572 0.000 0.995 526 F HN -0.041 nan 8.300 nan 0.000 0.481 527 P HA -0.188 nan 4.420 nan 0.000 0.222 527 P C 0.986 178.122 177.300 -0.274 0.000 1.142 527 P CA 1.806 64.803 63.100 -0.171 0.000 0.788 527 P CB -0.129 31.554 31.700 -0.027 0.000 0.767 528 K N -0.823 119.352 120.400 -0.375 0.000 2.262 528 K HA 0.050 4.370 4.320 -0.000 0.000 0.200 528 K C 1.196 177.589 176.600 -0.345 0.000 1.049 528 K CA 0.300 56.405 56.287 -0.303 0.000 0.979 528 K CB -0.266 32.106 32.500 -0.212 0.000 0.773 528 K HN 0.130 nan 8.250 nan 0.000 0.474 529 V N 0.000 119.579 119.914 -0.558 0.000 2.409 529 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 529 V CA 0.000 62.065 62.300 -0.391 0.000 1.235 529 V CB 0.000 31.514 31.823 -0.515 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556