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 2j69_1_A DATA FIRST_RESID 4 DATA SEQUENCE QVATDRFIQD LERVAQVRSE MSVCLNKLAE TINKAELAGD SSSGKLSLER DATA SEQUENCE DIEDITIASK NLQQGVFRLL VLGDMKRGKS TFLNALIGEN LLPSDVNPCT DATA SEQUENCE AVLTVLRYGP EKKVTIHFND GKSPQQLDFQ NFKYKYTIDP AEAKKLEQEK DATA SEQUENCE KQAFPDVDYA VVEYPLTLLQ KGIEIVDSPG LNDTEARNEL SLGYVNNCHA DATA SEQUENCE ILFVMRASQP CTLGERRYLE NYIKGRGLTV FFLVNAWDQV RESLIDPDDV DATA SEQUENCE EELQASENRL RQVFNANLAE YCTVEGQNIY DERVFELSSI QALRRRLKNP DATA SEQUENCE QADLDGTGFP KFMDSLNTFL TRERAIAELR QVRTLARLAC NHTREAVARR DATA SEQUENCE IPLLEQDVNE LKKRIDSVEP EFNKLTGIRD EFQKEIINTR DTQARTISES DATA SEQUENCE FRSYVLNLGN TFENDFLRYQ PELNLFDFLS SGKREAFNAA LQKAFEQYIT DATA SEQUENCE DKSAAWTLTA EKDINAAFKE LSRSASQYGA SYNQITDQIT EKLTGKDVXX DATA SEQUENCE XXXXXXEEDN SPGWAKWAMG LLSXXXXXXX XXXXXXAGFD WKNILLNYFT DATA SEQUENCE VIGIGGIITA VTGILLGPIG FALLGLGVGF LQADQARREL VKTAKKELVK DATA SEQUENCE HLPQVAHEQS QVVYNAVKEC FDSYEREVSK RINDDIVSRK SELDNLVKQK DATA SEQUENCE QTREINRESE FNRLKNLQED VIAQLQKIEA AYSNLLAYYS HH 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.012 176.000 0.020 0.000 1.003 4 Q CA 0.000 55.815 55.803 0.021 0.000 1.022 4 Q CB 0.000 28.755 28.738 0.027 0.000 1.108 5 V N 1.007 120.931 119.914 0.016 0.000 3.237 5 V HA 0.566 4.686 4.120 0.001 0.000 0.305 5 V C 1.367 177.471 176.094 0.017 0.000 1.096 5 V CA 0.819 63.128 62.300 0.014 0.000 1.130 5 V CB 0.831 32.659 31.823 0.010 0.000 1.048 5 V HN 0.920 nan 8.190 nan 0.000 0.484 6 A N 1.648 124.473 122.820 0.008 0.000 2.019 6 A HA -0.073 4.247 4.320 0.001 0.000 0.219 6 A C 2.069 179.667 177.584 0.024 0.000 1.164 6 A CA 2.189 54.224 52.037 -0.004 0.000 0.644 6 A CB -1.269 17.704 19.000 -0.045 0.000 0.805 6 A HN 1.080 nan 8.150 nan 0.000 0.449 7 T N 0.099 114.673 114.554 0.033 0.000 2.746 7 T HA -0.125 4.225 4.350 0.001 0.000 0.267 7 T C 1.449 176.198 174.700 0.082 0.000 1.039 7 T CA 1.460 63.598 62.100 0.064 0.000 1.142 7 T CB -0.302 68.584 68.868 0.030 0.000 0.866 7 T HN 0.457 nan 8.240 nan 0.000 0.444 8 D N 0.671 121.099 120.400 0.047 0.000 2.120 8 D HA -0.010 4.631 4.640 0.001 0.000 0.202 8 D C 2.283 178.610 176.300 0.044 0.000 0.972 8 D CA 0.609 54.627 54.000 0.031 0.000 0.837 8 D CB -0.290 40.519 40.800 0.016 0.000 0.989 8 D HN 0.224 nan 8.370 nan 0.000 0.469 9 R N -0.126 120.410 120.500 0.060 0.000 2.139 9 R HA -0.189 4.152 4.340 0.001 0.000 0.243 9 R C 2.161 178.532 176.300 0.119 0.000 1.145 9 R CA 0.918 57.062 56.100 0.073 0.000 0.976 9 R CB -0.334 30.001 30.300 0.059 0.000 0.866 9 R HN 0.111 nan 8.270 nan 0.000 0.449 10 F N 1.020 120.929 119.950 -0.067 0.000 2.128 10 F HA -0.038 4.490 4.527 0.001 0.000 0.295 10 F C 1.950 177.701 175.800 -0.081 0.000 1.100 10 F CA 1.035 58.976 58.000 -0.099 0.000 1.260 10 F CB -0.417 38.502 39.000 -0.136 0.000 1.009 10 F HN -0.081 nan 8.300 nan 0.000 0.476 11 I N -0.150 120.358 120.570 -0.103 0.000 2.361 11 I HA -0.296 3.874 4.170 0.001 0.000 0.251 11 I C 2.355 178.388 176.117 -0.138 0.000 1.133 11 I CA 1.196 62.378 61.300 -0.195 0.000 1.413 11 I CB -0.440 37.495 38.000 -0.108 0.000 1.073 11 I HN 0.215 nan 8.210 nan 0.000 0.424 12 Q N 1.146 120.908 119.800 -0.062 0.000 1.993 12 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 12 Q C 1.733 177.710 176.000 -0.038 0.000 0.984 12 Q CA 2.136 57.916 55.803 -0.039 0.000 0.837 12 Q CB -0.093 28.649 28.738 0.007 0.000 0.902 12 Q HN 0.350 nan 8.270 nan 0.000 0.423 13 D N -0.611 119.791 120.400 0.002 0.000 2.116 13 D HA -0.168 4.473 4.640 0.001 0.000 0.193 13 D C 1.610 177.896 176.300 -0.022 0.000 0.998 13 D CA 0.816 54.844 54.000 0.047 0.000 0.836 13 D CB -0.211 40.640 40.800 0.085 0.000 0.951 13 D HN 0.151 nan 8.370 nan 0.000 0.449 14 L N 0.772 121.902 121.223 -0.155 0.000 2.079 14 L HA -0.125 4.216 4.340 0.001 0.000 0.210 14 L C 2.030 178.836 176.870 -0.107 0.000 1.081 14 L CA 1.680 56.398 54.840 -0.202 0.000 0.752 14 L CB -0.422 41.371 42.059 -0.444 0.000 0.896 14 L HN 0.082 nan 8.230 nan 0.000 0.433 15 E N -1.085 119.047 120.200 -0.113 0.000 2.158 15 E HA -0.206 4.145 4.350 0.001 0.000 0.191 15 E C 2.360 178.914 176.600 -0.077 0.000 0.982 15 E CA 0.298 56.639 56.400 -0.098 0.000 0.823 15 E CB 0.047 29.683 29.700 -0.107 0.000 0.766 15 E HN 0.358 nan 8.360 nan 0.000 0.468 16 R N 0.240 120.699 120.500 -0.069 0.000 2.083 16 R HA -0.151 4.190 4.340 0.001 0.000 0.237 16 R C 2.270 178.542 176.300 -0.047 0.000 1.137 16 R CA 1.611 57.664 56.100 -0.077 0.000 0.951 16 R CB -0.216 30.041 30.300 -0.073 0.000 0.851 16 R HN 0.098 nan 8.270 nan 0.000 0.434 17 V N 0.788 120.707 119.914 0.007 0.000 2.407 17 V HA -0.222 3.898 4.120 0.001 0.000 0.248 17 V C 2.431 178.528 176.094 0.005 0.000 1.055 17 V CA 1.843 64.168 62.300 0.041 0.000 1.049 17 V CB -0.583 31.322 31.823 0.137 0.000 0.662 17 V HN 0.544 nan 8.190 nan 0.000 0.455 18 A N -0.825 121.986 122.820 -0.016 0.000 1.902 18 A HA -0.251 4.070 4.320 0.001 0.000 0.217 18 A C 2.176 179.730 177.584 -0.050 0.000 1.181 18 A CA 1.636 53.648 52.037 -0.042 0.000 0.623 18 A CB -0.463 18.499 19.000 -0.064 0.000 0.818 18 A HN 0.524 nan 8.150 nan 0.000 0.443 19 Q N -0.210 119.555 119.800 -0.058 0.000 2.030 19 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 19 Q C 2.352 178.320 176.000 -0.053 0.000 0.986 19 Q CA 1.791 57.556 55.803 -0.062 0.000 0.843 19 Q CB -1.057 27.634 28.738 -0.078 0.000 0.904 19 Q HN 0.480 nan 8.270 nan 0.000 0.420 20 V N 0.882 120.765 119.914 -0.052 0.000 2.407 20 V HA -0.242 3.879 4.120 0.001 0.000 0.248 20 V C 2.496 178.577 176.094 -0.022 0.000 1.055 20 V CA 1.881 64.156 62.300 -0.042 0.000 1.049 20 V CB -0.545 31.248 31.823 -0.049 0.000 0.662 20 V HN 0.284 nan 8.190 nan 0.000 0.455 21 R N -0.355 120.132 120.500 -0.023 0.000 2.066 21 R HA -0.141 4.200 4.340 0.001 0.000 0.232 21 R C 2.707 178.992 176.300 -0.026 0.000 1.131 21 R CA 1.637 57.723 56.100 -0.023 0.000 0.955 21 R CB -0.416 29.860 30.300 -0.040 0.000 0.851 21 R HN 0.441 nan 8.270 nan 0.000 0.432 22 S N 0.233 115.914 115.700 -0.033 0.000 2.359 22 S HA -0.198 4.272 4.470 0.001 0.000 0.224 22 S C 1.770 176.355 174.600 -0.025 0.000 1.035 22 S CA 1.567 59.748 58.200 -0.031 0.000 1.018 22 S CB -0.160 63.016 63.200 -0.039 0.000 0.876 22 S HN 0.405 nan 8.310 nan 0.000 0.448 23 E N 0.151 120.336 120.200 -0.026 0.000 2.051 23 E HA -0.141 4.210 4.350 0.001 0.000 0.192 23 E C 2.186 178.779 176.600 -0.012 0.000 0.991 23 E CA 1.244 57.632 56.400 -0.021 0.000 0.799 23 E CB -0.137 29.549 29.700 -0.024 0.000 0.748 23 E HN 0.480 nan 8.360 nan 0.000 0.449 24 M N 0.269 119.864 119.600 -0.007 0.000 2.106 24 M HA -0.181 4.300 4.480 0.001 0.000 0.259 24 M C 2.631 178.929 176.300 -0.003 0.000 1.068 24 M CA 1.273 56.572 55.300 -0.001 0.000 1.100 24 M CB -0.916 31.689 32.600 0.008 0.000 1.351 24 M HN 0.106 nan 8.290 nan 0.000 0.404 25 S N 0.458 116.154 115.700 -0.007 0.000 2.368 25 S HA -0.093 4.378 4.470 0.001 0.000 0.225 25 S C 1.925 176.522 174.600 -0.005 0.000 1.030 25 S CA 1.306 59.503 58.200 -0.006 0.000 0.999 25 S CB -0.177 63.017 63.200 -0.010 0.000 0.844 25 S HN 0.287 nan 8.310 nan 0.000 0.459 26 V N 1.054 120.964 119.914 -0.008 0.000 2.343 26 V HA -0.188 3.933 4.120 0.001 0.000 0.247 26 V C 2.650 178.741 176.094 -0.005 0.000 1.051 26 V CA 1.779 64.074 62.300 -0.007 0.000 1.036 26 V CB -1.115 30.701 31.823 -0.011 0.000 0.654 26 V HN 0.656 nan 8.190 nan 0.000 0.451 27 C N -0.212 119.085 119.300 -0.005 0.000 2.429 27 C HA -0.106 4.355 4.460 0.001 0.000 0.277 27 C C 2.653 177.642 174.990 -0.001 0.000 1.262 27 C CA 0.844 59.859 59.018 -0.004 0.000 1.733 27 C CB -1.101 26.636 27.740 -0.004 0.000 2.010 27 C HN 0.522 nan 8.230 nan 0.000 0.483 28 L N 0.967 122.191 121.223 0.001 0.000 2.093 28 L HA -0.110 4.231 4.340 0.001 0.000 0.208 28 L C 2.371 179.246 176.870 0.008 0.000 1.085 28 L CA 1.212 56.056 54.840 0.006 0.000 0.755 28 L CB -0.732 41.333 42.059 0.009 0.000 0.904 28 L HN 0.369 nan 8.230 nan 0.000 0.435 29 N N 0.489 119.193 118.700 0.006 0.000 2.104 29 N HA -0.179 4.562 4.740 0.001 0.000 0.190 29 N C 1.762 177.275 175.510 0.005 0.000 1.024 29 N CA 1.322 54.375 53.050 0.006 0.000 0.853 29 N CB -0.128 38.361 38.487 0.003 0.000 1.008 29 N HN 0.325 nan 8.380 nan 0.000 0.424 30 K N 0.083 120.485 120.400 0.002 0.000 2.148 30 K HA -0.054 4.267 4.320 0.001 0.000 0.204 30 K C 1.804 178.406 176.600 0.003 0.000 1.050 30 K CA 0.356 56.644 56.287 0.002 0.000 0.942 30 K CB -0.119 32.381 32.500 -0.001 0.000 0.724 30 K HN 0.029 nan 8.250 nan 0.000 0.446 31 L N 1.267 122.492 121.223 0.005 0.000 1.988 31 L HA -0.103 4.237 4.340 0.001 0.000 0.207 31 L C 2.219 179.096 176.870 0.012 0.000 1.071 31 L CA 1.949 56.793 54.840 0.007 0.000 0.744 31 L CB -0.947 41.116 42.059 0.006 0.000 0.893 31 L HN 0.107 nan 8.230 nan 0.000 0.433 32 A N -0.978 121.851 122.820 0.015 0.000 1.940 32 A HA -0.277 4.043 4.320 0.001 0.000 0.219 32 A C 2.328 179.921 177.584 0.015 0.000 1.176 32 A CA 1.899 53.947 52.037 0.019 0.000 0.631 32 A CB -0.788 18.225 19.000 0.021 0.000 0.814 32 A HN 0.648 nan 8.150 nan 0.000 0.446 33 E N -0.765 119.441 120.200 0.011 0.000 2.077 33 E HA -0.166 4.185 4.350 0.001 0.000 0.193 33 E C 1.996 178.600 176.600 0.007 0.000 0.989 33 E CA 1.646 58.051 56.400 0.008 0.000 0.800 33 E CB -0.170 29.534 29.700 0.006 0.000 0.746 33 E HN 0.560 nan 8.360 nan 0.000 0.452 34 T N 2.010 116.568 114.554 0.007 0.000 2.652 34 T HA -0.165 4.186 4.350 0.001 0.000 0.267 34 T C 1.950 176.655 174.700 0.007 0.000 1.039 34 T CA 1.567 63.670 62.100 0.005 0.000 1.153 34 T CB -0.176 68.694 68.868 0.003 0.000 0.863 34 T HN 0.195 nan 8.240 nan 0.000 0.428 35 I N 1.758 122.335 120.570 0.012 0.000 2.163 35 I HA -0.204 3.967 4.170 0.001 0.000 0.243 35 I C 2.485 178.611 176.117 0.014 0.000 1.085 35 I CA 1.600 62.910 61.300 0.016 0.000 1.347 35 I CB -1.175 36.840 38.000 0.025 0.000 1.044 35 I HN 0.284 nan 8.210 nan 0.000 0.408 36 N N 1.253 119.961 118.700 0.014 0.000 2.120 36 N HA -0.217 4.524 4.740 0.001 0.000 0.188 36 N C 1.812 177.327 175.510 0.008 0.000 1.024 36 N CA 1.531 54.588 53.050 0.012 0.000 0.852 36 N CB -0.069 38.425 38.487 0.011 0.000 1.003 36 N HN 0.187 nan 8.380 nan 0.000 0.424 37 K N -0.377 120.028 120.400 0.007 0.000 2.057 37 K HA 0.051 4.372 4.320 0.001 0.000 0.206 37 K C 1.861 178.464 176.600 0.005 0.000 1.050 37 K CA 1.176 57.467 56.287 0.005 0.000 0.935 37 K CB -0.256 32.246 32.500 0.004 0.000 0.715 37 K HN 0.263 nan 8.250 nan 0.000 0.439 38 A N 0.485 123.308 122.820 0.005 0.000 1.972 38 A HA -0.193 4.128 4.320 0.001 0.000 0.219 38 A C 1.951 179.538 177.584 0.005 0.000 1.169 38 A CA 1.798 53.837 52.037 0.003 0.000 0.635 38 A CB -0.377 18.624 19.000 0.002 0.000 0.810 38 A HN 0.299 nan 8.150 nan 0.000 0.446 39 E N -0.145 120.059 120.200 0.007 0.000 2.051 39 E HA 0.047 4.398 4.350 0.001 0.000 0.189 39 E C 1.526 178.130 176.600 0.006 0.000 0.979 39 E CA 0.631 57.035 56.400 0.008 0.000 0.803 39 E CB -0.245 29.461 29.700 0.010 0.000 0.761 39 E HN 0.540 nan 8.360 nan 0.000 0.451 40 L N -0.200 121.027 121.223 0.006 0.000 2.711 40 L HA 0.055 4.396 4.340 0.001 0.000 0.242 40 L C 1.222 178.095 176.870 0.005 0.000 1.153 40 L CA 0.501 55.344 54.840 0.005 0.000 0.898 40 L CB -0.023 42.038 42.059 0.005 0.000 1.044 40 L HN 0.138 nan 8.230 nan 0.000 0.437 41 A N -1.427 121.397 122.820 0.005 0.000 2.456 41 A HA 0.350 4.670 4.320 0.001 0.000 0.237 41 A C 1.978 179.566 177.584 0.006 0.000 1.217 41 A CA 0.497 52.537 52.037 0.006 0.000 0.962 41 A CB 0.001 19.005 19.000 0.005 0.000 1.079 41 A HN 0.328 nan 8.150 nan 0.000 0.536 42 G N 1.363 110.167 108.800 0.006 0.000 2.425 42 G HA2 -0.123 3.837 3.960 0.001 0.000 0.213 42 G HA3 -0.123 3.837 3.960 0.001 0.000 0.213 42 G C 0.926 175.830 174.900 0.007 0.000 1.201 42 G CA 1.194 46.298 45.100 0.006 0.000 0.799 42 G HN 0.628 nan 8.290 nan 0.000 0.534 43 D N 0.377 120.780 120.400 0.005 0.000 2.346 43 D HA 0.062 4.703 4.640 0.001 0.000 0.248 43 D C 1.685 177.988 176.300 0.005 0.000 1.173 43 D CA 0.903 54.905 54.000 0.004 0.000 0.878 43 D CB -0.017 40.785 40.800 0.002 0.000 0.919 43 D HN 0.351 nan 8.370 nan 0.000 0.513 44 S N -3.158 112.545 115.700 0.006 0.000 2.632 44 S HA 0.226 4.697 4.470 0.001 0.000 0.237 44 S C 1.183 175.788 174.600 0.009 0.000 1.037 44 S CA -0.364 57.840 58.200 0.006 0.000 1.009 44 S CB 0.435 63.639 63.200 0.006 0.000 0.974 44 S HN 0.119 nan 8.310 nan 0.000 0.544 45 S N 1.576 117.282 115.700 0.010 0.000 3.641 45 S HA 0.354 4.824 4.470 0.001 0.000 0.180 45 S C 1.597 176.206 174.600 0.015 0.000 0.854 45 S CA 0.500 58.708 58.200 0.013 0.000 1.343 45 S CB 0.341 63.549 63.200 0.014 0.000 0.685 45 S HN 0.430 nan 8.310 nan 0.000 0.724 46 S N -0.195 115.515 115.700 0.016 0.000 2.527 46 S HA 0.384 4.855 4.470 0.001 0.000 0.222 46 S C 0.575 175.183 174.600 0.014 0.000 0.985 46 S CA 1.033 59.244 58.200 0.018 0.000 0.921 46 S CB -0.632 62.581 63.200 0.023 0.000 0.772 46 S HN 1.442 nan 8.310 nan 0.000 0.529 47 G N 0.922 109.729 108.800 0.011 0.000 2.770 47 G HA2 -0.051 3.909 3.960 0.001 0.000 0.686 47 G HA3 -0.051 3.909 3.960 0.001 0.000 0.686 47 G C -1.172 173.733 174.900 0.008 0.000 1.180 47 G CA -0.979 44.126 45.100 0.008 0.000 0.767 47 G HN 0.430 nan 8.290 nan 0.000 0.646 48 K N 1.110 121.514 120.400 0.006 0.000 2.448 48 K HA 0.314 4.635 4.320 0.001 0.000 0.278 48 K C 1.070 177.676 176.600 0.010 0.000 1.009 48 K CA -0.459 55.833 56.287 0.008 0.000 0.995 48 K CB 0.384 32.888 32.500 0.006 0.000 0.917 48 K HN 0.339 nan 8.250 nan 0.000 0.481 49 L N 1.957 123.188 121.223 0.013 0.000 2.397 49 L HA 0.066 4.406 4.340 0.001 0.000 0.271 49 L C 0.830 177.711 176.870 0.018 0.000 1.148 49 L CA 0.318 55.169 54.840 0.018 0.000 0.825 49 L CB 1.021 43.093 42.059 0.022 0.000 1.117 49 L HN 0.611 nan 8.230 nan 0.000 0.456 50 S N 4.063 119.774 115.700 0.018 0.000 3.483 50 S HA 0.314 4.785 4.470 0.001 0.000 0.274 50 S C 0.759 175.372 174.600 0.022 0.000 1.289 50 S CA -0.493 57.716 58.200 0.014 0.000 0.938 50 S CB -0.634 62.570 63.200 0.007 0.000 1.453 50 S HN 0.524 nan 8.310 nan 0.000 0.494 51 L N 3.328 124.568 121.223 0.029 0.000 2.818 51 L HA 0.332 4.672 4.340 0.001 0.000 0.243 51 L C 1.661 178.558 176.870 0.045 0.000 1.185 51 L CA -0.101 54.767 54.840 0.047 0.000 0.988 51 L CB -0.030 42.063 42.059 0.056 0.000 1.292 51 L HN 0.439 nan 8.230 nan 0.000 0.519 52 E N 0.808 121.025 120.200 0.029 0.000 2.058 52 E HA -0.265 4.086 4.350 0.001 0.000 0.194 52 E C 2.060 178.676 176.600 0.026 0.000 0.997 52 E CA 1.238 57.651 56.400 0.022 0.000 0.801 52 E CB -0.003 29.703 29.700 0.009 0.000 0.746 52 E HN 0.229 nan 8.360 nan 0.000 0.450 53 R N 1.271 121.788 120.500 0.028 0.000 2.170 53 R HA -0.178 4.163 4.340 0.001 0.000 0.242 53 R C 1.179 177.517 176.300 0.064 0.000 1.145 53 R CA 1.883 58.000 56.100 0.029 0.000 0.984 53 R CB -0.155 30.165 30.300 0.034 0.000 0.869 53 R HN 0.245 nan 8.270 nan 0.000 0.455 54 D N -0.701 119.756 120.400 0.094 0.000 2.240 54 D HA -0.007 4.634 4.640 0.001 0.000 0.206 54 D C 1.892 178.244 176.300 0.087 0.000 0.963 54 D CA 0.917 54.991 54.000 0.125 0.000 0.863 54 D CB 0.089 40.985 40.800 0.161 0.000 0.973 54 D HN 0.294 nan 8.370 nan 0.000 0.501 55 I N 2.199 122.805 120.570 0.061 0.000 2.127 55 I HA -0.297 3.873 4.170 0.001 0.000 0.241 55 I C 2.700 178.841 176.117 0.040 0.000 1.075 55 I CA 1.403 62.729 61.300 0.044 0.000 1.334 55 I CB -0.342 37.676 38.000 0.031 0.000 1.040 55 I HN 0.061 nan 8.210 nan 0.000 0.405 56 E N 1.048 121.266 120.200 0.031 0.000 2.051 56 E HA -0.260 4.090 4.350 0.001 0.000 0.192 56 E C 1.556 178.178 176.600 0.038 0.000 0.991 56 E CA 1.658 58.071 56.400 0.021 0.000 0.799 56 E CB -0.465 29.235 29.700 -0.001 0.000 0.748 56 E HN 0.376 nan 8.360 nan 0.000 0.449 57 D N 0.927 121.361 120.400 0.057 0.000 2.158 57 D HA -0.155 4.486 4.640 0.001 0.000 0.197 57 D C 1.947 178.323 176.300 0.126 0.000 0.995 57 D CA 0.959 55.030 54.000 0.119 0.000 0.846 57 D CB -0.118 40.807 40.800 0.209 0.000 0.941 57 D HN 0.213 nan 8.370 nan 0.000 0.456 58 I N 0.855 121.481 120.570 0.093 0.000 2.133 58 I HA -0.207 3.964 4.170 0.001 0.000 0.238 58 I C 2.296 178.443 176.117 0.051 0.000 1.074 58 I CA 1.196 62.537 61.300 0.068 0.000 1.342 58 I CB -1.421 36.610 38.000 0.052 0.000 1.053 58 I HN 0.035 nan 8.210 nan 0.000 0.404 59 T N 1.904 116.483 114.554 0.042 0.000 2.597 59 T HA -0.206 4.145 4.350 0.001 0.000 0.267 59 T C 2.096 176.815 174.700 0.033 0.000 1.053 59 T CA 1.736 63.855 62.100 0.030 0.000 1.165 59 T CB -0.460 68.422 68.868 0.023 0.000 0.863 59 T HN 0.205 nan 8.240 nan 0.000 0.427 60 I N 1.257 121.851 120.570 0.039 0.000 2.113 60 I HA -0.288 3.883 4.170 0.001 0.000 0.242 60 I C 2.930 179.078 176.117 0.053 0.000 1.064 60 I CA 1.494 62.820 61.300 0.042 0.000 1.320 60 I CB -0.564 37.464 38.000 0.046 0.000 1.028 60 I HN 0.241 nan 8.210 nan 0.000 0.406 61 A N -0.513 122.351 122.820 0.072 0.000 1.902 61 A HA -0.249 4.072 4.320 0.001 0.000 0.217 61 A C 2.476 180.081 177.584 0.035 0.000 1.181 61 A CA 2.256 54.332 52.037 0.065 0.000 0.623 61 A CB -0.816 18.230 19.000 0.076 0.000 0.818 61 A HN 0.413 nan 8.150 nan 0.000 0.443 62 S N -0.689 115.029 115.700 0.029 0.000 2.359 62 S HA -0.199 4.272 4.470 0.001 0.000 0.224 62 S C 2.085 176.691 174.600 0.010 0.000 1.035 62 S CA 1.908 60.118 58.200 0.016 0.000 1.018 62 S CB -0.294 62.915 63.200 0.015 0.000 0.876 62 S HN 0.597 nan 8.310 nan 0.000 0.448 63 K N 0.617 121.026 120.400 0.014 0.000 2.063 63 K HA -0.083 4.238 4.320 0.001 0.000 0.208 63 K C 1.833 178.437 176.600 0.006 0.000 1.048 63 K CA 1.911 58.204 56.287 0.010 0.000 0.928 63 K CB -0.288 32.219 32.500 0.013 0.000 0.713 63 K HN 0.480 nan 8.250 nan 0.000 0.442 64 N N 0.349 119.056 118.700 0.011 0.000 2.381 64 N HA -0.080 4.661 4.740 0.001 0.000 0.182 64 N C 1.606 177.109 175.510 -0.012 0.000 1.025 64 N CA 0.332 53.385 53.050 0.005 0.000 0.888 64 N CB 0.083 38.580 38.487 0.017 0.000 0.965 64 N HN 0.076 nan 8.380 nan 0.000 0.438 65 L N 1.161 122.378 121.223 -0.011 0.000 2.005 65 L HA -0.212 4.129 4.340 0.001 0.000 0.207 65 L C 2.801 179.650 176.870 -0.035 0.000 1.072 65 L CA 1.227 56.050 54.840 -0.027 0.000 0.744 65 L CB -0.569 41.480 42.059 -0.017 0.000 0.895 65 L HN 0.352 nan 8.230 nan 0.000 0.433 66 Q N -0.444 119.342 119.800 -0.023 0.000 2.170 66 Q HA -0.257 4.083 4.340 0.001 0.000 0.203 66 Q C 1.891 177.877 176.000 -0.024 0.000 0.976 66 Q CA 1.501 57.290 55.803 -0.024 0.000 0.858 66 Q CB -0.264 28.465 28.738 -0.014 0.000 0.907 66 Q HN 0.591 nan 8.270 nan 0.000 0.433 67 Q N 0.897 120.687 119.800 -0.018 0.000 2.204 67 Q HA 0.110 4.451 4.340 0.001 0.000 0.198 67 Q C 0.859 176.844 176.000 -0.024 0.000 0.946 67 Q CA 0.338 56.135 55.803 -0.011 0.000 0.859 67 Q CB 0.057 28.796 28.738 0.001 0.000 0.946 67 Q HN 0.473 nan 8.270 nan 0.000 0.474 68 G N 0.974 109.750 108.800 -0.041 0.000 2.464 68 G HA2 0.171 4.132 3.960 0.001 0.000 0.231 68 G HA3 0.171 4.132 3.960 0.001 0.000 0.231 68 G C -0.832 173.996 174.900 -0.121 0.000 1.267 68 G CA -0.075 44.984 45.100 -0.067 0.000 0.863 68 G HN 0.095 nan 8.290 nan 0.000 0.559 69 V N 2.589 122.425 119.914 -0.130 0.000 3.048 69 V HA 0.567 4.688 4.120 0.001 0.000 0.303 69 V C -0.940 175.015 176.094 -0.231 0.000 1.214 69 V CA -1.178 61.027 62.300 -0.159 0.000 0.984 69 V CB 1.894 33.704 31.823 -0.021 0.000 1.054 69 V HN 0.640 nan 8.190 nan 0.000 0.430 70 F N 4.780 124.605 119.950 -0.208 0.000 2.472 70 F HA 0.491 5.019 4.527 0.001 0.000 0.364 70 F C 0.727 176.490 175.800 -0.060 0.000 1.090 70 F CA 0.164 57.917 58.000 -0.411 0.000 1.188 70 F CB 0.605 39.410 39.000 -0.323 0.000 1.105 70 F HN 0.366 nan 8.300 nan 0.000 0.536 71 R N 5.030 125.757 120.500 0.378 0.000 2.338 71 R HA 0.587 4.927 4.340 0.001 0.000 0.317 71 R C -1.587 174.903 176.300 0.318 0.000 0.968 71 R CA -0.540 55.762 56.100 0.337 0.000 0.849 71 R CB 0.699 31.210 30.300 0.352 0.000 1.128 71 R HN 0.715 nan 8.270 nan 0.000 0.448 72 L N 5.808 127.155 121.223 0.206 0.000 2.305 72 L HA 0.435 4.775 4.340 0.001 0.000 0.284 72 L C -0.830 176.106 176.870 0.110 0.000 1.013 72 L CA -1.121 53.826 54.840 0.178 0.000 0.819 72 L CB 1.645 43.796 42.059 0.153 0.000 1.227 72 L HN 0.497 nan 8.230 nan 0.000 0.417 73 L N 5.149 126.438 121.223 0.109 0.000 2.272 73 L HA 0.492 4.833 4.340 0.001 0.000 0.289 73 L C -0.551 176.344 176.870 0.041 0.000 1.032 73 L CA -0.147 54.717 54.840 0.040 0.000 0.810 73 L CB 1.524 43.625 42.059 0.071 0.000 1.205 73 L HN 0.285 nan 8.230 nan 0.000 0.422 74 V N 6.972 126.886 119.914 -0.000 0.000 2.333 74 V HA 0.438 4.559 4.120 0.001 0.000 0.274 74 V C 0.175 176.212 176.094 -0.096 0.000 1.028 74 V CA -0.421 61.878 62.300 -0.002 0.000 0.851 74 V CB 0.898 32.756 31.823 0.058 0.000 1.000 74 V HN 0.640 nan 8.190 nan 0.000 0.456 75 L N 4.023 125.136 121.223 -0.183 0.000 2.319 75 L HA 1.064 5.405 4.340 0.001 0.000 0.267 75 L C 0.458 176.908 176.870 -0.701 0.000 1.011 75 L CA -0.478 54.136 54.840 -0.377 0.000 0.818 75 L CB 2.247 44.117 42.059 -0.315 0.000 1.316 75 L HN 0.838 nan 8.230 nan 0.000 0.432 76 G N 0.184 108.553 108.800 -0.718 0.000 2.337 76 G HA2 0.060 4.021 3.960 0.001 0.000 0.310 76 G HA3 0.060 4.021 3.960 0.001 0.000 0.310 76 G C -1.812 172.872 174.900 -0.361 0.000 1.534 76 G CA -0.915 43.763 45.100 -0.704 0.000 0.982 76 G HN 0.410 nan 8.290 nan 0.000 0.672 77 D N 0.586 120.835 120.400 -0.252 0.000 2.364 77 D HA 0.279 4.920 4.640 0.001 0.000 0.236 77 D C 1.410 177.658 176.300 -0.087 0.000 1.221 77 D CA 0.237 54.165 54.000 -0.120 0.000 0.891 77 D CB 0.322 41.089 40.800 -0.054 0.000 1.190 77 D HN 0.327 nan 8.370 nan 0.000 0.449 78 M N 0.505 120.079 119.600 -0.044 0.000 2.226 78 M HA 0.054 4.535 4.480 0.001 0.000 0.324 78 M C 0.912 177.207 176.300 -0.009 0.000 1.112 78 M CA 0.203 55.490 55.300 -0.021 0.000 1.176 78 M CB 0.112 32.710 32.600 -0.004 0.000 1.430 78 M HN 0.383 nan 8.290 nan 0.000 0.462 79 K N -0.098 120.303 120.400 0.002 0.000 3.129 79 K HA -0.181 4.140 4.320 0.001 0.000 0.273 79 K C 0.204 176.812 176.600 0.013 0.000 1.123 79 K CA 0.369 56.663 56.287 0.012 0.000 0.800 79 K CB -0.884 31.625 32.500 0.015 0.000 1.238 79 K HN 0.502 nan 8.250 nan 0.000 0.492 80 R N -0.657 119.845 120.500 0.003 0.000 2.437 80 R HA 0.115 4.456 4.340 0.001 0.000 0.257 80 R C 1.230 177.541 176.300 0.019 0.000 0.927 80 R CA 0.845 56.949 56.100 0.005 0.000 1.078 80 R CB 0.779 31.061 30.300 -0.031 0.000 1.161 80 R HN 0.500 nan 8.270 nan 0.000 0.529 81 G N 1.819 110.638 108.800 0.031 0.000 2.137 81 G HA2 -0.343 3.618 3.960 0.001 0.000 0.237 81 G HA3 -0.343 3.618 3.960 0.001 0.000 0.237 81 G C 0.941 175.897 174.900 0.093 0.000 1.002 81 G CA 0.705 45.843 45.100 0.063 0.000 0.702 81 G HN 0.334 nan 8.290 nan 0.000 0.515 82 K N 0.739 121.172 120.400 0.055 0.000 2.074 82 K HA -0.178 4.143 4.320 0.001 0.000 0.209 82 K C 2.697 179.384 176.600 0.145 0.000 1.048 82 K CA 2.271 58.613 56.287 0.090 0.000 0.926 82 K CB -0.267 32.233 32.500 0.000 0.000 0.713 82 K HN 0.704 nan 8.250 nan 0.000 0.444 83 S N -0.903 114.846 115.700 0.081 0.000 2.470 83 S HA -0.027 4.444 4.470 0.001 0.000 0.225 83 S C 1.846 176.475 174.600 0.047 0.000 1.006 83 S CA 1.014 59.246 58.200 0.053 0.000 0.934 83 S CB -0.018 63.202 63.200 0.034 0.000 0.778 83 S HN 0.227 nan 8.310 nan 0.000 0.517 84 T N 2.283 116.884 114.554 0.077 0.000 2.812 84 T HA 0.053 4.404 4.350 0.001 0.000 0.264 84 T C 1.270 176.042 174.700 0.120 0.000 1.042 84 T CA 1.219 63.364 62.100 0.075 0.000 1.140 84 T CB -0.519 68.401 68.868 0.086 0.000 0.870 84 T HN 0.482 nan 8.240 nan 0.000 0.445 85 F N 2.091 122.080 119.950 0.065 0.000 2.069 85 F HA -0.057 4.471 4.527 0.001 0.000 0.298 85 F C 1.870 177.745 175.800 0.125 0.000 1.113 85 F CA 1.170 59.246 58.000 0.128 0.000 1.214 85 F CB -0.716 38.302 39.000 0.030 0.000 0.978 85 F HN 0.041 nan 8.300 nan 0.000 0.474 86 L N 0.297 121.351 121.223 -0.282 0.000 2.046 86 L HA -0.265 4.076 4.340 0.001 0.000 0.208 86 L C 2.389 179.111 176.870 -0.246 0.000 1.077 86 L CA 1.407 56.020 54.840 -0.378 0.000 0.747 86 L CB -0.938 41.038 42.059 -0.138 0.000 0.896 86 L HN 0.195 nan 8.230 nan 0.000 0.432 87 N N 0.343 118.962 118.700 -0.135 0.000 2.061 87 N HA -0.202 4.539 4.740 0.001 0.000 0.193 87 N C 1.826 177.252 175.510 -0.140 0.000 1.030 87 N CA 1.733 54.714 53.050 -0.114 0.000 0.856 87 N CB -0.359 38.090 38.487 -0.065 0.000 1.023 87 N HN 0.343 nan 8.380 nan 0.000 0.424 88 A N 1.245 123.972 122.820 -0.154 0.000 1.933 88 A HA -0.062 4.259 4.320 0.001 0.000 0.218 88 A C 2.363 179.814 177.584 -0.221 0.000 1.175 88 A CA 0.795 52.691 52.037 -0.236 0.000 0.628 88 A CB -0.703 18.083 19.000 -0.357 0.000 0.814 88 A HN 0.271 nan 8.150 nan 0.000 0.444 89 L N 0.079 121.191 121.223 -0.185 0.000 1.994 89 L HA -0.195 4.146 4.340 0.001 0.000 0.208 89 L C 2.606 179.425 176.870 -0.085 0.000 1.071 89 L CA 2.342 57.115 54.840 -0.112 0.000 0.745 89 L CB -0.404 41.483 42.059 -0.288 0.000 0.892 89 L HN 0.686 nan 8.230 nan 0.000 0.431 90 I N -3.873 116.626 120.570 -0.118 0.000 2.500 90 I HA 0.105 4.276 4.170 0.001 0.000 0.252 90 I C 1.542 177.615 176.117 -0.073 0.000 1.142 90 I CA 1.128 62.377 61.300 -0.085 0.000 1.451 90 I CB -0.272 37.661 38.000 -0.113 0.000 1.093 90 I HN 0.347 nan 8.210 nan 0.000 0.430 91 G N 1.109 109.853 108.800 -0.094 0.000 2.260 91 G HA2 -0.150 3.811 3.960 0.001 0.000 0.179 91 G HA3 -0.150 3.811 3.960 0.001 0.000 0.179 91 G C -0.001 174.855 174.900 -0.073 0.000 1.002 91 G CA 0.088 45.142 45.100 -0.077 0.000 0.677 91 G HN 0.710 nan 8.290 nan 0.000 0.486 92 E N -0.703 119.444 120.200 -0.089 0.000 2.449 92 E HA 0.522 4.873 4.350 0.001 0.000 0.278 92 E C -1.007 175.543 176.600 -0.083 0.000 0.992 92 E CA -1.220 55.136 56.400 -0.075 0.000 0.807 92 E CB 0.663 30.330 29.700 -0.054 0.000 1.350 92 E HN -0.039 nan 8.360 nan 0.000 0.462 93 N N 1.376 120.048 118.700 -0.047 0.000 3.050 93 N HA 0.092 4.833 4.740 0.001 0.000 0.289 93 N C -0.206 175.296 175.510 -0.014 0.000 1.209 93 N CA -0.004 53.031 53.050 -0.024 0.000 1.154 93 N CB -0.043 38.445 38.487 0.002 0.000 1.444 93 N HN 0.690 nan 8.380 nan 0.000 0.529 94 L N 1.509 122.693 121.223 -0.065 0.000 2.189 94 L HA 0.241 4.582 4.340 0.001 0.000 0.199 94 L C 0.051 176.948 176.870 0.045 0.000 1.074 94 L CA 0.343 55.134 54.840 -0.081 0.000 0.783 94 L CB 0.092 41.949 42.059 -0.336 0.000 0.955 94 L HN 0.188 nan 8.230 nan 0.000 0.460 95 L N 2.004 123.231 121.223 0.007 0.000 2.380 95 L HA 0.296 4.637 4.340 0.001 0.000 0.273 95 L C -1.998 174.904 176.870 0.053 0.000 1.138 95 L CA -1.889 52.978 54.840 0.046 0.000 0.832 95 L CB -0.541 41.527 42.059 0.015 0.000 1.124 95 L HN 0.065 nan 8.230 nan 0.000 0.454 96 P HA 0.121 nan 4.420 nan 0.000 0.274 96 P C -0.429 176.898 177.300 0.045 0.000 1.237 96 P CA -0.513 62.621 63.100 0.056 0.000 0.793 96 P CB 0.789 32.524 31.700 0.058 0.000 0.977 97 S N 0.337 116.061 115.700 0.040 0.000 2.548 97 S HA 0.091 4.561 4.470 0.001 0.000 0.277 97 S C 0.354 174.975 174.600 0.035 0.000 1.315 97 S CA -0.722 57.499 58.200 0.036 0.000 1.050 97 S CB -0.255 62.966 63.200 0.034 0.000 0.918 97 S HN 0.480 nan 8.310 nan 0.000 0.497 98 D N 3.534 123.953 120.400 0.030 0.000 2.498 98 D HA 0.070 4.711 4.640 0.001 0.000 0.229 98 D C 1.096 177.408 176.300 0.020 0.000 1.188 98 D CA -0.492 53.523 54.000 0.024 0.000 1.028 98 D CB 0.213 41.020 40.800 0.013 0.000 1.087 98 D HN 0.504 nan 8.370 nan 0.000 0.510 99 V N -0.724 119.204 119.914 0.024 0.000 3.477 99 V HA 0.282 4.403 4.120 0.001 0.000 0.297 99 V C 0.179 176.285 176.094 0.019 0.000 1.433 99 V CA -0.641 61.671 62.300 0.020 0.000 1.052 99 V CB -0.759 31.076 31.823 0.020 0.000 0.895 99 V HN 0.207 nan 8.190 nan 0.000 0.438 100 N N 1.794 120.508 118.700 0.023 0.000 2.483 100 N HA 0.531 5.272 4.740 0.001 0.000 0.267 100 N C -1.588 173.936 175.510 0.024 0.000 0.998 100 N CA -1.605 51.457 53.050 0.021 0.000 0.918 100 N CB 2.455 40.954 38.487 0.019 0.000 1.215 100 N HN -0.078 nan 8.380 nan 0.000 0.500 101 P HA -0.103 nan 4.420 nan 0.000 0.218 101 P C -0.161 177.158 177.300 0.031 0.000 1.146 101 P CA 0.914 64.028 63.100 0.024 0.000 0.813 101 P CB -0.144 31.570 31.700 0.023 0.000 0.778 102 C N -3.459 115.856 119.300 0.025 0.000 3.498 102 C HA 0.685 5.146 4.460 0.001 0.000 0.218 102 C C 0.833 175.833 174.990 0.017 0.000 1.284 102 C CA -0.363 58.671 59.018 0.028 0.000 1.343 102 C CB -0.421 27.327 27.740 0.014 0.000 1.825 102 C HN 0.023 nan 8.230 nan 0.000 0.518 103 T N -0.034 114.557 114.554 0.062 0.000 3.304 103 T HA 0.389 4.739 4.350 0.001 0.000 0.269 103 T C 1.093 175.916 174.700 0.204 0.000 0.895 103 T CA 0.812 62.976 62.100 0.107 0.000 0.948 103 T CB 0.094 69.006 68.868 0.074 0.000 1.242 103 T HN 0.861 nan 8.240 nan 0.000 0.522 104 A N 2.266 125.164 122.820 0.131 0.000 2.386 104 A HA 0.637 4.958 4.320 0.001 0.000 0.248 104 A C -0.101 177.558 177.584 0.125 0.000 1.082 104 A CA -0.187 51.919 52.037 0.116 0.000 0.789 104 A CB 0.057 19.097 19.000 0.067 0.000 1.025 104 A HN 0.659 nan 8.150 nan 0.000 0.490 105 V N 0.352 120.328 119.914 0.102 0.000 2.932 105 V HA 0.541 4.661 4.120 0.001 0.000 0.307 105 V C -0.338 175.786 176.094 0.050 0.000 1.147 105 V CA -1.164 61.188 62.300 0.087 0.000 0.951 105 V CB 1.134 33.014 31.823 0.094 0.000 1.031 105 V HN 1.096 nan 8.190 nan 0.000 0.426 106 L N 3.353 124.604 121.223 0.047 0.000 2.667 106 L HA 0.353 4.694 4.340 0.001 0.000 0.278 106 L C 0.332 177.217 176.870 0.025 0.000 1.217 106 L CA 1.732 56.584 54.840 0.020 0.000 0.935 106 L CB -0.103 41.970 42.059 0.024 0.000 1.193 106 L HN 1.000 nan 8.230 nan 0.000 0.493 107 T N 5.056 119.599 114.554 -0.018 0.000 2.792 107 T HA 0.570 4.921 4.350 0.001 0.000 0.280 107 T C -0.341 174.329 174.700 -0.050 0.000 0.990 107 T CA -0.558 61.527 62.100 -0.025 0.000 0.960 107 T CB 1.468 70.320 68.868 -0.026 0.000 0.939 107 T HN 0.372 nan 8.240 nan 0.000 0.439 108 V N 3.883 123.785 119.914 -0.020 0.000 2.539 108 V HA 0.617 4.738 4.120 0.001 0.000 0.292 108 V C -0.485 175.593 176.094 -0.026 0.000 1.045 108 V CA -0.816 61.465 62.300 -0.032 0.000 0.945 108 V CB 1.610 33.449 31.823 0.026 0.000 0.993 108 V HN 0.678 nan 8.190 nan 0.000 0.464 109 L N 5.942 127.153 121.223 -0.020 0.000 2.439 109 L HA 0.760 5.100 4.340 0.001 0.000 0.270 109 L C -0.313 176.567 176.870 0.018 0.000 0.972 109 L CA -0.055 54.776 54.840 -0.014 0.000 0.836 109 L CB 1.292 43.330 42.059 -0.035 0.000 1.255 109 L HN 0.881 nan 8.230 nan 0.000 0.404 110 R N 2.624 123.145 120.500 0.035 0.000 2.766 110 R HA 0.430 4.770 4.340 0.001 0.000 0.270 110 R C -1.401 174.957 176.300 0.096 0.000 1.035 110 R CA -1.029 55.115 56.100 0.073 0.000 0.911 110 R CB 0.875 31.219 30.300 0.073 0.000 1.243 110 R HN 0.348 nan 8.270 nan 0.000 0.460 111 Y N 0.318 120.624 120.300 0.010 0.000 2.497 111 Y HA 0.454 5.005 4.550 0.001 0.000 0.334 111 Y C 0.029 175.928 175.900 -0.002 0.000 1.199 111 Y CA 1.538 59.640 58.100 0.004 0.000 1.425 111 Y CB 1.140 39.595 38.460 -0.008 0.000 1.291 111 Y HN 0.836 nan 8.280 nan 0.000 0.562 112 G N 5.622 113.896 108.800 -0.878 0.000 2.759 112 G HA2 0.373 4.334 3.960 0.001 0.000 0.297 112 G HA3 0.373 4.334 3.960 0.001 0.000 0.297 112 G C -2.822 171.573 174.900 -0.842 0.000 1.434 112 G CA -1.318 43.399 45.100 -0.638 0.000 0.980 112 G HN 0.353 nan 8.290 nan 0.000 0.531 113 P HA -0.036 nan 4.420 nan 0.000 0.216 113 P C 0.535 177.663 177.300 -0.287 0.000 1.153 113 P CA 1.116 64.022 63.100 -0.323 0.000 0.848 113 P CB 0.498 32.118 31.700 -0.133 0.000 0.787 114 E N -0.929 119.121 120.200 -0.250 0.000 2.235 114 E HA 0.251 4.601 4.350 0.001 0.000 0.265 114 E C -0.460 175.973 176.600 -0.277 0.000 0.940 114 E CA -0.899 55.360 56.400 -0.236 0.000 0.819 114 E CB 1.053 30.668 29.700 -0.143 0.000 1.206 114 E HN -0.125 nan 8.360 nan 0.000 0.409 115 K N 2.722 122.922 120.400 -0.333 0.000 2.166 115 K HA 0.111 4.432 4.320 0.001 0.000 0.273 115 K C -0.541 176.033 176.600 -0.042 0.000 1.095 115 K CA 0.365 56.441 56.287 -0.351 0.000 0.985 115 K CB 0.172 32.323 32.500 -0.582 0.000 1.172 115 K HN 0.100 nan 8.250 nan 0.000 0.401 116 K N 1.361 121.742 120.400 -0.031 0.000 2.203 116 K HA 0.488 4.809 4.320 0.001 0.000 0.251 116 K C -0.788 175.816 176.600 0.006 0.000 0.944 116 K CA -0.962 55.330 56.287 0.008 0.000 0.829 116 K CB 2.255 34.734 32.500 -0.034 0.000 1.125 116 K HN 0.040 nan 8.250 nan 0.000 0.430 117 V N 1.933 121.819 119.914 -0.047 0.000 2.483 117 V HA 0.220 4.341 4.120 0.001 0.000 0.297 117 V C -0.626 175.345 176.094 -0.204 0.000 1.027 117 V CA -0.768 61.397 62.300 -0.226 0.000 0.855 117 V CB 1.840 33.310 31.823 -0.589 0.000 0.995 117 V HN 0.766 nan 8.190 nan 0.000 0.424 118 T N 6.594 121.035 114.554 -0.189 0.000 2.781 118 T HA 0.560 4.910 4.350 0.001 0.000 0.305 118 T C -0.009 174.562 174.700 -0.214 0.000 1.001 118 T CA -0.013 61.998 62.100 -0.148 0.000 0.950 118 T CB 0.234 69.070 68.868 -0.053 0.000 0.955 118 T HN 0.383 nan 8.240 nan 0.000 0.471 119 I N 3.944 124.344 120.570 -0.283 0.000 2.371 119 I HA 0.231 4.402 4.170 0.001 0.000 0.290 119 I C 0.139 175.951 176.117 -0.509 0.000 1.028 119 I CA -0.571 60.466 61.300 -0.439 0.000 1.345 119 I CB 0.506 38.174 38.000 -0.553 0.000 1.407 119 I HN 0.559 nan 8.210 nan 0.000 0.501 120 H N 5.863 124.529 119.070 -0.673 0.000 2.488 120 H HA 0.459 5.016 4.556 0.001 0.000 0.322 120 H C -0.738 174.337 175.328 -0.422 0.000 1.078 120 H CA -0.222 55.513 56.048 -0.522 0.000 1.260 120 H CB 0.853 30.124 29.762 -0.819 0.000 1.425 120 H HN 0.286 nan 8.280 nan 0.000 0.471 121 F N 0.875 120.834 119.950 0.015 0.000 2.408 121 F HA 0.195 4.723 4.527 0.001 0.000 0.325 121 F C 1.764 177.624 175.800 0.100 0.000 1.082 121 F CA -0.427 57.609 58.000 0.059 0.000 1.032 121 F CB 0.967 39.992 39.000 0.042 0.000 1.259 121 F HN 0.686 nan 8.300 nan 0.000 0.503 122 N N -0.637 118.260 118.700 0.330 0.000 2.294 122 N HA -0.047 4.694 4.740 0.001 0.000 0.186 122 N C 0.062 175.678 175.510 0.176 0.000 1.107 122 N CA 0.284 53.469 53.050 0.224 0.000 0.884 122 N CB -0.017 38.583 38.487 0.190 0.000 1.030 122 N HN 0.585 nan 8.380 nan 0.000 0.482 123 D N -0.034 120.473 120.400 0.177 0.000 2.538 123 D HA 0.212 4.853 4.640 0.001 0.000 0.234 123 D C 1.216 177.549 176.300 0.055 0.000 1.191 123 D CA 0.109 54.167 54.000 0.097 0.000 0.828 123 D CB 0.019 40.862 40.800 0.071 0.000 0.981 123 D HN 0.409 nan 8.370 nan 0.000 0.490 124 G N 0.770 109.620 108.800 0.085 0.000 2.363 124 G HA2 -0.351 3.610 3.960 0.001 0.000 0.238 124 G HA3 -0.351 3.610 3.960 0.001 0.000 0.238 124 G C 0.371 175.287 174.900 0.028 0.000 1.062 124 G CA 0.239 45.372 45.100 0.055 0.000 0.629 124 G HN 0.753 nan 8.290 nan 0.000 0.514 125 K N 1.259 121.634 120.400 -0.042 0.000 2.319 125 K HA 0.576 4.897 4.320 0.001 0.000 0.265 125 K C 0.292 176.875 176.600 -0.029 0.000 1.000 125 K CA 0.197 56.409 56.287 -0.124 0.000 0.943 125 K CB 0.724 33.029 32.500 -0.324 0.000 0.950 125 K HN 0.089 nan 8.250 nan 0.000 0.485 126 S N 2.435 118.120 115.700 -0.024 0.000 2.552 126 S HA 0.061 4.532 4.470 0.001 0.000 0.289 126 S C -2.183 172.498 174.600 0.134 0.000 1.304 126 S CA -0.884 57.337 58.200 0.035 0.000 1.063 126 S CB 0.048 63.251 63.200 0.005 0.000 0.848 126 S HN 0.455 nan 8.310 nan 0.000 0.499 127 P HA -0.020 nan 4.420 nan 0.000 0.252 127 P C -0.403 176.890 177.300 -0.012 0.000 1.183 127 P CA 0.216 63.259 63.100 -0.095 0.000 0.973 127 P CB -0.049 31.390 31.700 -0.435 0.000 0.990 128 Q N 2.936 122.833 119.800 0.162 0.000 2.255 128 Q HA -0.015 4.326 4.340 0.001 0.000 0.280 128 Q C -0.164 175.850 176.000 0.023 0.000 1.068 128 Q CA 0.262 56.159 55.803 0.157 0.000 0.911 128 Q CB 0.394 29.347 28.738 0.358 0.000 1.157 128 Q HN 0.396 nan 8.270 nan 0.000 0.380 129 Q N 3.825 123.637 119.800 0.020 0.000 2.282 129 Q HA 0.547 4.887 4.340 0.001 0.000 0.260 129 Q C -1.676 174.347 176.000 0.039 0.000 0.964 129 Q CA -0.854 54.949 55.803 -0.001 0.000 0.880 129 Q CB 0.815 29.544 28.738 -0.015 0.000 1.286 129 Q HN 0.529 nan 8.270 nan 0.000 0.445 130 L N 0.318 121.567 121.223 0.043 0.000 2.556 130 L HA 0.525 4.866 4.340 0.001 0.000 0.257 130 L C -0.988 175.932 176.870 0.083 0.000 0.955 130 L CA -1.091 53.798 54.840 0.082 0.000 0.850 130 L CB 0.886 43.029 42.059 0.141 0.000 1.398 130 L HN 0.425 nan 8.230 nan 0.000 0.412 131 D N 0.519 120.974 120.400 0.091 0.000 2.400 131 D HA 0.099 4.740 4.640 0.001 0.000 0.238 131 D C 0.858 177.271 176.300 0.189 0.000 1.157 131 D CA 0.045 54.112 54.000 0.112 0.000 0.889 131 D CB 0.678 41.530 40.800 0.086 0.000 1.199 131 D HN 0.658 nan 8.370 nan 0.000 0.436 132 F N 0.932 120.929 119.950 0.078 0.000 2.065 132 F HA -0.288 4.239 4.527 0.001 0.000 0.298 132 F C 2.283 178.230 175.800 0.244 0.000 1.112 132 F CA 1.726 59.825 58.000 0.165 0.000 1.212 132 F CB 0.162 39.255 39.000 0.155 0.000 0.975 132 F HN 0.360 nan 8.300 nan 0.000 0.476 133 Q N -0.263 119.665 119.800 0.213 0.000 2.167 133 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 133 Q C 2.015 178.060 176.000 0.074 0.000 0.970 133 Q CA 1.105 56.969 55.803 0.102 0.000 0.855 133 Q CB -0.333 28.496 28.738 0.153 0.000 0.911 133 Q HN 0.408 nan 8.270 nan 0.000 0.438 134 N N 0.741 119.509 118.700 0.113 0.000 2.013 134 N HA -0.199 4.542 4.740 0.001 0.000 0.195 134 N C 1.479 177.081 175.510 0.152 0.000 1.051 134 N CA 1.299 54.433 53.050 0.141 0.000 0.851 134 N CB -0.508 38.059 38.487 0.134 0.000 1.044 134 N HN 0.209 nan 8.380 nan 0.000 0.422 135 F N 1.895 121.844 119.950 -0.003 0.000 2.045 135 F HA -0.279 4.249 4.527 0.001 0.000 0.297 135 F C 2.446 178.217 175.800 -0.049 0.000 1.114 135 F CA 2.049 60.034 58.000 -0.024 0.000 1.207 135 F CB -0.286 38.620 39.000 -0.157 0.000 0.964 135 F HN 0.030 nan 8.300 nan 0.000 0.486 136 K N -0.888 119.316 120.400 -0.327 0.000 2.097 136 K HA -0.272 4.049 4.320 0.001 0.000 0.206 136 K C 2.224 178.682 176.600 -0.237 0.000 1.049 136 K CA 1.836 57.863 56.287 -0.433 0.000 0.933 136 K CB -0.691 31.598 32.500 -0.352 0.000 0.717 136 K HN 0.576 nan 8.250 nan 0.000 0.442 137 Y N 1.085 121.269 120.300 -0.193 0.000 2.200 137 Y HA -0.173 4.378 4.550 0.001 0.000 0.290 137 Y C 2.045 177.861 175.900 -0.141 0.000 1.137 137 Y CA 1.535 59.561 58.100 -0.124 0.000 1.163 137 Y CB 0.163 38.581 38.460 -0.070 0.000 0.988 137 Y HN -0.073 nan 8.280 nan 0.000 0.518 138 K N -0.645 119.513 120.400 -0.403 0.000 2.031 138 K HA -0.148 4.173 4.320 0.001 0.000 0.205 138 K C 1.041 177.300 176.600 -0.569 0.000 1.049 138 K CA 1.520 57.480 56.287 -0.545 0.000 0.939 138 K CB -0.294 31.985 32.500 -0.369 0.000 0.717 138 K HN 0.355 nan 8.250 nan 0.000 0.438 139 Y N 0.714 120.691 120.300 -0.539 0.000 2.470 139 Y HA 0.069 4.620 4.550 0.001 0.000 0.284 139 Y C 0.183 175.937 175.900 -0.244 0.000 1.188 139 Y CA 0.092 57.850 58.100 -0.571 0.000 1.269 139 Y CB 0.475 38.270 38.460 -1.108 0.000 1.094 139 Y HN -0.174 nan 8.280 nan 0.000 0.518 140 T N 3.788 118.264 114.554 -0.130 0.000 2.799 140 T HA 0.368 4.719 4.350 0.001 0.000 0.286 140 T C -0.083 174.603 174.700 -0.024 0.000 0.973 140 T CA -0.548 61.525 62.100 -0.046 0.000 1.035 140 T CB 1.025 69.848 68.868 -0.075 0.000 0.932 140 T HN 0.094 nan 8.240 nan 0.000 0.469 141 I N 1.276 121.858 120.570 0.021 0.000 2.607 141 I HA 0.547 4.717 4.170 0.001 0.000 0.305 141 I C -0.089 176.014 176.117 -0.023 0.000 0.995 141 I CA -1.191 60.094 61.300 -0.024 0.000 1.148 141 I CB 1.549 39.516 38.000 -0.056 0.000 1.323 141 I HN 0.574 nan 8.210 nan 0.000 0.461 142 D N 5.516 125.896 120.400 -0.032 0.000 2.362 142 D HA 0.185 4.826 4.640 0.001 0.000 0.242 142 D C -2.202 174.089 176.300 -0.015 0.000 1.132 142 D CA -1.477 52.512 54.000 -0.018 0.000 0.907 142 D CB 0.657 41.446 40.800 -0.017 0.000 1.195 142 D HN 0.349 nan 8.370 nan 0.000 0.429 143 P HA -0.150 nan 4.420 nan 0.000 0.220 143 P C 0.967 178.261 177.300 -0.009 0.000 1.144 143 P CA 2.004 65.101 63.100 -0.004 0.000 0.800 143 P CB 0.139 31.840 31.700 0.002 0.000 0.772 144 A N 0.019 122.831 122.820 -0.013 0.000 1.831 144 A HA -0.165 4.156 4.320 0.001 0.000 0.213 144 A C 2.365 179.934 177.584 -0.024 0.000 1.223 144 A CA 1.602 53.629 52.037 -0.016 0.000 0.604 144 A CB -1.378 17.613 19.000 -0.014 0.000 0.878 144 A HN 0.139 nan 8.150 nan 0.000 0.450 145 E N 0.449 120.629 120.200 -0.034 0.000 2.147 145 E HA -0.203 4.148 4.350 0.001 0.000 0.199 145 E C 1.866 178.433 176.600 -0.055 0.000 1.005 145 E CA 2.045 58.415 56.400 -0.050 0.000 0.810 145 E CB -0.436 29.224 29.700 -0.067 0.000 0.736 145 E HN 0.488 nan 8.360 nan 0.000 0.460 146 A N 0.778 123.571 122.820 -0.046 0.000 1.902 146 A HA -0.216 4.104 4.320 0.001 0.000 0.217 146 A C 2.040 179.606 177.584 -0.029 0.000 1.181 146 A CA 1.831 53.844 52.037 -0.041 0.000 0.623 146 A CB -0.458 18.528 19.000 -0.023 0.000 0.818 146 A HN 0.139 nan 8.150 nan 0.000 0.443 147 K N 0.137 120.525 120.400 -0.021 0.000 2.026 147 K HA -0.134 4.187 4.320 0.001 0.000 0.208 147 K C 1.954 178.544 176.600 -0.017 0.000 1.048 147 K CA 1.731 58.010 56.287 -0.014 0.000 0.929 147 K CB -0.398 32.096 32.500 -0.009 0.000 0.713 147 K HN 0.504 nan 8.250 nan 0.000 0.439 148 K N 0.491 120.878 120.400 -0.022 0.000 2.057 148 K HA -0.089 4.232 4.320 0.001 0.000 0.207 148 K C 2.174 178.757 176.600 -0.027 0.000 1.049 148 K CA 0.838 57.112 56.287 -0.023 0.000 0.931 148 K CB -0.126 32.358 32.500 -0.026 0.000 0.714 148 K HN -0.086 nan 8.250 nan 0.000 0.440 149 L N 1.468 122.667 121.223 -0.041 0.000 2.093 149 L HA -0.140 4.201 4.340 0.001 0.000 0.208 149 L C 2.317 179.169 176.870 -0.030 0.000 1.085 149 L CA 1.648 56.459 54.840 -0.047 0.000 0.755 149 L CB -0.527 41.483 42.059 -0.081 0.000 0.904 149 L HN 0.238 nan 8.230 nan 0.000 0.435 150 E N -0.547 119.639 120.200 -0.024 0.000 2.028 150 E HA -0.212 4.139 4.350 0.001 0.000 0.191 150 E C 1.661 178.259 176.600 -0.003 0.000 0.988 150 E CA 0.850 57.244 56.400 -0.010 0.000 0.799 150 E CB 0.042 29.738 29.700 -0.006 0.000 0.755 150 E HN 0.481 nan 8.360 nan 0.000 0.447 151 Q N 0.180 119.978 119.800 -0.004 0.000 2.591 151 Q HA -0.081 4.260 4.340 0.001 0.000 0.219 151 Q C 0.577 176.579 176.000 0.003 0.000 0.981 151 Q CA 0.815 56.619 55.803 0.001 0.000 0.945 151 Q CB 0.311 29.049 28.738 -0.000 0.000 0.985 151 Q HN 0.441 nan 8.270 nan 0.000 0.542 152 E N -0.459 119.741 120.200 0.000 0.000 3.722 152 E HA 0.183 4.534 4.350 0.001 0.000 0.276 152 E C 1.115 177.720 176.600 0.008 0.000 0.942 152 E CA -0.393 56.008 56.400 0.002 0.000 1.088 152 E CB 0.685 30.383 29.700 -0.005 0.000 2.828 152 E HN -0.068 nan 8.360 nan 0.000 0.539 153 K N 0.210 120.613 120.400 0.005 0.000 2.826 153 K HA 0.131 4.452 4.320 0.001 0.000 0.187 153 K C -0.149 176.457 176.600 0.008 0.000 1.662 153 K CA 0.016 56.310 56.287 0.012 0.000 1.307 153 K CB 0.737 33.247 32.500 0.015 0.000 1.792 153 K HN -0.116 nan 8.250 nan 0.000 0.618 154 K N 3.324 123.722 120.400 -0.004 0.000 2.378 154 K HA 0.023 4.344 4.320 0.001 0.000 0.288 154 K C -0.414 176.171 176.600 -0.024 0.000 1.057 154 K CA 0.034 56.314 56.287 -0.012 0.000 0.971 154 K CB 0.831 33.316 32.500 -0.026 0.000 0.975 154 K HN 0.190 nan 8.250 nan 0.000 0.475 155 Q N 3.119 122.917 119.800 -0.003 0.000 2.262 155 Q HA -0.079 4.262 4.340 0.001 0.000 0.298 155 Q C 0.646 176.609 176.000 -0.063 0.000 1.083 155 Q CA 0.110 55.914 55.803 0.001 0.000 0.962 155 Q CB 0.888 29.657 28.738 0.052 0.000 1.104 155 Q HN 0.783 nan 8.270 nan 0.000 0.376 156 A N 4.999 127.720 122.820 -0.165 0.000 2.019 156 A HA -0.095 4.226 4.320 0.001 0.000 0.219 156 A C 0.104 177.245 177.584 -0.739 0.000 1.164 156 A CA 0.938 52.689 52.037 -0.477 0.000 0.644 156 A CB -0.007 18.609 19.000 -0.641 0.000 0.805 156 A HN 0.680 nan 8.150 nan 0.000 0.449 157 F N -1.513 118.490 119.950 0.087 0.000 2.686 157 F HA 0.348 4.876 4.527 0.001 0.000 0.365 157 F C -2.060 173.820 175.800 0.135 0.000 1.196 157 F CA -1.942 56.139 58.000 0.135 0.000 1.198 157 F CB 1.496 40.625 39.000 0.215 0.000 1.454 157 F HN -0.031 nan 8.300 nan 0.000 0.539 158 P HA -0.177 nan 4.420 nan 0.000 0.216 158 P C 1.251 178.682 177.300 0.218 0.000 1.153 158 P CA 1.485 64.688 63.100 0.171 0.000 0.848 158 P CB 0.190 31.959 31.700 0.114 0.000 0.787 159 D N -0.845 119.726 120.400 0.284 0.000 2.310 159 D HA -0.057 4.584 4.640 0.001 0.000 0.212 159 D C 0.460 177.028 176.300 0.446 0.000 0.965 159 D CA 0.523 54.741 54.000 0.363 0.000 0.879 159 D CB -0.610 40.428 40.800 0.397 0.000 0.921 159 D HN 0.048 nan 8.370 nan 0.000 0.510 160 V N 2.274 122.385 119.914 0.328 0.000 2.427 160 V HA -0.015 4.106 4.120 0.001 0.000 0.268 160 V C 1.080 177.244 176.094 0.116 0.000 1.046 160 V CA -0.154 62.223 62.300 0.127 0.000 0.970 160 V CB 1.385 33.260 31.823 0.085 0.000 1.001 160 V HN -0.002 nan 8.190 nan 0.000 0.476 161 D N 4.062 124.508 120.400 0.078 0.000 2.191 161 D HA 0.033 4.674 4.640 0.001 0.000 0.221 161 D C 0.062 176.482 176.300 0.200 0.000 1.006 161 D CA 1.193 55.296 54.000 0.171 0.000 0.910 161 D CB 0.391 41.345 40.800 0.257 0.000 1.031 161 D HN 0.594 nan 8.370 nan 0.000 0.447 162 Y N -1.470 118.805 120.300 -0.041 0.000 2.513 162 Y HA 0.685 5.236 4.550 0.001 0.000 0.340 162 Y C -1.414 174.411 175.900 -0.125 0.000 1.055 162 Y CA -1.472 56.580 58.100 -0.081 0.000 1.020 162 Y CB 1.203 39.620 38.460 -0.072 0.000 1.301 162 Y HN 0.054 nan 8.280 nan 0.000 0.453 163 A N 3.084 125.814 122.820 -0.150 0.000 2.288 163 A HA 0.699 5.020 4.320 0.001 0.000 0.320 163 A C -1.290 176.185 177.584 -0.183 0.000 1.217 163 A CA -0.831 51.033 52.037 -0.287 0.000 0.840 163 A CB 0.959 19.745 19.000 -0.357 0.000 1.179 163 A HN 0.705 nan 8.150 nan 0.000 0.504 164 V N 3.836 123.630 119.914 -0.200 0.000 2.364 164 V HA 0.283 4.404 4.120 0.001 0.000 0.272 164 V C -0.166 175.837 176.094 -0.151 0.000 1.036 164 V CA -0.271 61.970 62.300 -0.098 0.000 0.880 164 V CB 1.223 33.030 31.823 -0.026 0.000 0.991 164 V HN 0.605 nan 8.190 nan 0.000 0.460 165 V N 5.397 125.243 119.914 -0.112 0.000 2.370 165 V HA 0.387 4.508 4.120 0.001 0.000 0.283 165 V C 0.122 176.213 176.094 -0.005 0.000 1.023 165 V CA -0.636 61.621 62.300 -0.072 0.000 0.857 165 V CB 1.455 33.255 31.823 -0.037 0.000 0.985 165 V HN 0.869 nan 8.190 nan 0.000 0.443 166 E N 3.420 123.622 120.200 0.003 0.000 2.191 166 E HA 0.586 4.937 4.350 0.001 0.000 0.278 166 E C -1.676 174.924 176.600 -0.000 0.000 0.972 166 E CA -0.495 55.892 56.400 -0.022 0.000 0.804 166 E CB 2.058 31.711 29.700 -0.078 0.000 1.110 166 E HN 0.627 nan 8.360 nan 0.000 0.394 167 Y N 2.244 122.407 120.300 -0.229 0.000 2.544 167 Y HA 0.243 4.794 4.550 0.001 0.000 0.342 167 Y C -2.311 173.409 175.900 -0.300 0.000 1.062 167 Y CA -2.212 55.728 58.100 -0.266 0.000 1.023 167 Y CB 2.352 40.665 38.460 -0.245 0.000 1.308 167 Y HN 0.368 nan 8.280 nan 0.000 0.457 168 P HA 0.216 nan 4.420 nan 0.000 0.214 168 P C -0.977 176.397 177.300 0.123 0.000 1.826 168 P CA 0.345 63.344 63.100 -0.168 0.000 0.977 168 P CB -0.369 31.203 31.700 -0.214 0.000 1.930 169 L N 0.672 122.028 121.223 0.221 0.000 2.305 169 L HA 0.214 4.555 4.340 0.001 0.000 0.281 169 L C 2.313 179.292 176.870 0.182 0.000 1.085 169 L CA -0.244 54.704 54.840 0.180 0.000 0.813 169 L CB 0.961 43.089 42.059 0.115 0.000 1.157 169 L HN 0.074 nan 8.230 nan 0.000 0.436 170 T N 2.559 117.169 114.554 0.094 0.000 2.746 170 T HA -0.182 4.169 4.350 0.001 0.000 0.267 170 T C 1.710 176.392 174.700 -0.031 0.000 1.039 170 T CA 1.115 63.229 62.100 0.023 0.000 1.142 170 T CB 0.012 68.876 68.868 -0.007 0.000 0.866 170 T HN 0.528 nan 8.240 nan 0.000 0.444 171 L N 0.354 121.566 121.223 -0.019 0.000 2.043 171 L HA -0.022 4.319 4.340 0.001 0.000 0.212 171 L C 2.387 179.227 176.870 -0.050 0.000 1.075 171 L CA 1.870 56.678 54.840 -0.054 0.000 0.752 171 L CB -0.627 41.424 42.059 -0.012 0.000 0.891 171 L HN 0.444 nan 8.230 nan 0.000 0.432 172 L N -0.859 120.380 121.223 0.026 0.000 2.478 172 L HA -0.147 4.194 4.340 0.001 0.000 0.223 172 L C 2.460 179.356 176.870 0.043 0.000 1.140 172 L CA 0.363 55.246 54.840 0.071 0.000 0.842 172 L CB -0.283 41.862 42.059 0.144 0.000 0.953 172 L HN 0.428 nan 8.230 nan 0.000 0.452 173 Q N 0.574 120.313 119.800 -0.102 0.000 2.123 173 Q HA -0.128 4.213 4.340 0.001 0.000 0.199 173 Q C 1.334 177.119 176.000 -0.358 0.000 0.966 173 Q CA 0.973 56.443 55.803 -0.556 0.000 0.845 173 Q CB 0.365 28.708 28.738 -0.659 0.000 0.907 173 Q HN 0.210 nan 8.270 nan 0.000 0.439 174 K N -0.230 120.036 120.400 -0.223 0.000 2.522 174 K HA 0.129 4.450 4.320 0.001 0.000 0.194 174 K C 0.285 176.820 176.600 -0.107 0.000 1.026 174 K CA 0.747 56.926 56.287 -0.180 0.000 1.119 174 K CB 0.461 32.841 32.500 -0.199 0.000 0.856 174 K HN 0.373 nan 8.250 nan 0.000 0.513 175 G N 1.481 110.236 108.800 -0.075 0.000 2.392 175 G HA2 -0.138 3.823 3.960 0.001 0.000 0.215 175 G HA3 -0.138 3.823 3.960 0.001 0.000 0.215 175 G C -0.398 174.547 174.900 0.075 0.000 1.097 175 G CA -0.656 44.441 45.100 -0.006 0.000 0.840 175 G HN 0.130 nan 8.290 nan 0.000 0.492 176 I N 0.063 120.661 120.570 0.047 0.000 2.569 176 I HA 0.628 4.799 4.170 0.001 0.000 0.296 176 I C 0.061 176.226 176.117 0.079 0.000 1.028 176 I CA -0.954 60.393 61.300 0.079 0.000 1.082 176 I CB 1.999 40.017 38.000 0.030 0.000 1.264 176 I HN 0.398 nan 8.210 nan 0.000 0.429 177 E N 5.762 126.020 120.200 0.098 0.000 2.248 177 E HA 0.635 4.985 4.350 0.001 0.000 0.267 177 E C -1.620 175.024 176.600 0.072 0.000 0.877 177 E CA -0.555 55.894 56.400 0.081 0.000 0.759 177 E CB 2.267 32.023 29.700 0.092 0.000 1.182 177 E HN 0.472 nan 8.360 nan 0.000 0.418 178 I N 4.152 124.741 120.570 0.033 0.000 2.406 178 I HA 0.285 4.456 4.170 0.001 0.000 0.290 178 I C -0.860 175.230 176.117 -0.046 0.000 0.999 178 I CA -1.081 60.226 61.300 0.010 0.000 1.124 178 I CB 1.935 39.935 38.000 0.001 0.000 1.289 178 I HN 0.301 nan 8.210 nan 0.000 0.441 179 V N 4.515 124.373 119.914 -0.093 0.000 2.333 179 V HA 0.178 4.299 4.120 0.001 0.000 0.274 179 V C -0.340 175.661 176.094 -0.155 0.000 1.028 179 V CA -0.457 61.711 62.300 -0.221 0.000 0.851 179 V CB 1.314 32.828 31.823 -0.515 0.000 1.000 179 V HN 0.672 nan 8.190 nan 0.000 0.456 180 D N 4.266 124.594 120.400 -0.119 0.000 2.456 180 D HA 0.286 4.927 4.640 0.001 0.000 0.219 180 D C 0.558 176.806 176.300 -0.087 0.000 1.126 180 D CA -0.127 53.828 54.000 -0.075 0.000 0.890 180 D CB 0.976 41.751 40.800 -0.042 0.000 1.025 180 D HN 0.606 nan 8.370 nan 0.000 0.511 181 S N 3.979 119.618 115.700 -0.102 0.000 2.603 181 S HA 0.529 5.000 4.470 0.001 0.000 0.268 181 S C -2.007 172.552 174.600 -0.069 0.000 1.317 181 S CA -0.977 57.168 58.200 -0.092 0.000 1.012 181 S CB 1.307 64.444 63.200 -0.105 0.000 0.926 181 S HN 0.352 nan 8.310 nan 0.000 0.539 182 P HA 0.266 nan 4.420 nan 0.000 0.312 182 P C 0.862 178.121 177.300 -0.069 0.000 1.307 182 P CA -0.228 62.852 63.100 -0.033 0.000 0.738 182 P CB -0.388 31.314 31.700 0.003 0.000 1.422 183 G N -1.007 107.763 108.800 -0.050 0.000 2.647 183 G HA2 0.100 4.061 3.960 0.001 0.000 0.271 183 G HA3 0.100 4.061 3.960 0.001 0.000 0.271 183 G C 0.912 175.763 174.900 -0.082 0.000 1.300 183 G CA -0.341 44.715 45.100 -0.073 0.000 0.997 183 G HN 0.318 nan 8.290 nan 0.000 0.533 184 L N -0.090 121.085 121.223 -0.081 0.000 2.109 184 L HA 0.002 4.343 4.340 0.001 0.000 0.207 184 L C 2.618 179.561 176.870 0.123 0.000 1.086 184 L CA 1.223 56.036 54.840 -0.045 0.000 0.760 184 L CB -1.235 40.826 42.059 0.003 0.000 0.910 184 L HN 0.497 nan 8.230 nan 0.000 0.437 185 N N -0.244 118.519 118.700 0.106 0.000 2.062 185 N HA -0.163 4.578 4.740 0.001 0.000 0.191 185 N C 1.512 177.086 175.510 0.106 0.000 1.042 185 N CA 1.332 54.457 53.050 0.126 0.000 0.845 185 N CB -0.240 38.307 38.487 0.100 0.000 1.024 185 N HN 0.226 nan 8.380 nan 0.000 0.424 186 D N -0.493 119.950 120.400 0.072 0.000 2.158 186 D HA -0.140 4.500 4.640 0.001 0.000 0.197 186 D C 1.931 178.269 176.300 0.063 0.000 0.995 186 D CA 1.682 55.720 54.000 0.063 0.000 0.846 186 D CB -0.579 40.250 40.800 0.049 0.000 0.941 186 D HN 0.480 nan 8.370 nan 0.000 0.456 187 T N -1.083 113.505 114.554 0.057 0.000 2.737 187 T HA -0.156 4.195 4.350 0.001 0.000 0.265 187 T C 1.868 176.615 174.700 0.078 0.000 1.038 187 T CA 1.399 63.536 62.100 0.061 0.000 1.144 187 T CB -0.361 68.532 68.868 0.042 0.000 0.866 187 T HN 0.204 nan 8.240 nan 0.000 0.434 188 E N 2.075 122.360 120.200 0.142 0.000 2.065 188 E HA -0.190 4.161 4.350 0.001 0.000 0.201 188 E C 2.353 179.001 176.600 0.080 0.000 1.016 188 E CA 1.356 57.827 56.400 0.119 0.000 0.818 188 E CB -0.693 29.157 29.700 0.250 0.000 0.749 188 E HN 0.610 nan 8.360 nan 0.000 0.453 189 A N 0.623 123.499 122.820 0.094 0.000 2.245 189 A HA -0.140 4.181 4.320 0.001 0.000 0.217 189 A C 0.745 178.367 177.584 0.064 0.000 1.171 189 A CA 0.951 53.037 52.037 0.082 0.000 0.688 189 A CB -0.276 18.774 19.000 0.083 0.000 0.781 189 A HN 0.125 nan 8.150 nan 0.000 0.479 190 R N -0.429 120.099 120.500 0.048 0.000 2.422 190 R HA 0.264 4.605 4.340 0.001 0.000 0.307 190 R C -0.429 175.877 176.300 0.011 0.000 1.004 190 R CA -0.234 55.889 56.100 0.039 0.000 0.882 190 R CB 0.610 30.939 30.300 0.048 0.000 1.164 190 R HN 0.456 nan 8.270 nan 0.000 0.489 191 N N 1.458 120.164 118.700 0.009 0.000 2.331 191 N HA -0.189 4.552 4.740 0.001 0.000 0.180 191 N C 1.185 176.680 175.510 -0.026 0.000 1.019 191 N CA 0.896 53.937 53.050 -0.015 0.000 0.881 191 N CB 0.284 38.775 38.487 0.007 0.000 0.972 191 N HN 0.596 nan 8.380 nan 0.000 0.435 192 E N 0.634 120.825 120.200 -0.015 0.000 2.401 192 E HA -0.129 4.222 4.350 0.001 0.000 0.199 192 E C 1.426 178.031 176.600 0.009 0.000 1.023 192 E CA 0.784 57.157 56.400 -0.045 0.000 0.859 192 E CB 0.005 29.677 29.700 -0.048 0.000 0.780 192 E HN 0.394 nan 8.360 nan 0.000 0.523 193 L N -0.146 121.111 121.223 0.056 0.000 2.471 193 L HA 0.093 4.434 4.340 0.001 0.000 0.186 193 L C 2.223 179.124 176.870 0.051 0.000 1.191 193 L CA 0.618 55.537 54.840 0.132 0.000 0.835 193 L CB -0.170 41.938 42.059 0.082 0.000 1.092 193 L HN 0.013 nan 8.230 nan 0.000 0.495 194 S N 0.080 115.742 115.700 -0.063 0.000 2.493 194 S HA -0.029 4.442 4.470 0.001 0.000 0.243 194 S C 1.542 176.007 174.600 -0.223 0.000 0.991 194 S CA 1.121 59.163 58.200 -0.263 0.000 0.957 194 S CB -0.071 62.734 63.200 -0.659 0.000 0.756 194 S HN 0.256 nan 8.310 nan 0.000 0.521 195 L N -1.416 119.742 121.223 -0.108 0.000 2.806 195 L HA 0.316 4.656 4.340 0.001 0.000 0.242 195 L C 2.380 179.206 176.870 -0.074 0.000 1.068 195 L CA 0.475 55.271 54.840 -0.073 0.000 0.923 195 L CB -0.873 41.148 42.059 -0.064 0.000 1.364 195 L HN 0.288 nan 8.230 nan 0.000 0.511 196 G N 0.065 108.814 108.800 -0.084 0.000 2.556 196 G HA2 -0.243 3.718 3.960 0.001 0.000 0.215 196 G HA3 -0.243 3.718 3.960 0.001 0.000 0.215 196 G C 1.266 176.051 174.900 -0.191 0.000 1.258 196 G CA 0.815 45.809 45.100 -0.177 0.000 0.811 196 G HN 0.150 nan 8.290 nan 0.000 0.557 197 Y N 0.373 120.638 120.300 -0.058 0.000 2.220 197 Y HA -0.052 4.499 4.550 0.001 0.000 0.291 197 Y C 3.123 179.016 175.900 -0.012 0.000 1.129 197 Y CA 0.718 58.796 58.100 -0.037 0.000 1.161 197 Y CB -0.499 37.941 38.460 -0.032 0.000 0.997 197 Y HN 0.010 nan 8.280 nan 0.000 0.522 198 V N 0.852 120.858 119.914 0.154 0.000 2.277 198 V HA -0.406 3.715 4.120 0.001 0.000 0.253 198 V C 1.829 177.956 176.094 0.054 0.000 1.067 198 V CA 2.359 64.726 62.300 0.112 0.000 1.047 198 V CB -0.522 31.357 31.823 0.094 0.000 0.649 198 V HN 0.554 nan 8.190 nan 0.000 0.447 199 N N 0.643 119.339 118.700 -0.007 0.000 2.368 199 N HA -0.005 4.736 4.740 0.001 0.000 0.176 199 N C 0.602 176.060 175.510 -0.086 0.000 1.021 199 N CA 0.771 53.782 53.050 -0.065 0.000 0.888 199 N CB -0.049 38.365 38.487 -0.120 0.000 0.995 199 N HN 0.707 nan 8.380 nan 0.000 0.437 200 N N 1.209 119.861 118.700 -0.080 0.000 2.976 200 N HA 0.223 4.964 4.740 0.001 0.000 0.255 200 N C -0.477 175.032 175.510 -0.001 0.000 1.312 200 N CA -0.401 52.597 53.050 -0.087 0.000 0.897 200 N CB 0.547 38.953 38.487 -0.134 0.000 1.184 200 N HN 0.121 nan 8.380 nan 0.000 0.497 201 C N -0.853 118.466 119.300 0.032 0.000 3.241 201 C HA 0.469 4.930 4.460 0.001 0.000 0.312 201 C C 1.102 176.151 174.990 0.098 0.000 1.350 201 C CA -0.647 58.450 59.018 0.131 0.000 1.415 201 C CB 1.103 28.970 27.740 0.211 0.000 1.770 201 C HN 0.550 nan 8.230 nan 0.000 0.466 202 H N 0.875 120.090 119.070 0.241 0.000 2.403 202 H HA 0.504 5.061 4.556 0.001 0.000 0.298 202 H C 1.048 176.638 175.328 0.437 0.000 1.059 202 H CA 2.128 58.383 56.048 0.346 0.000 1.363 202 H CB 0.192 30.218 29.762 0.440 0.000 1.410 202 H HN 1.098 nan 8.280 nan 0.000 0.528 203 A N 0.025 123.108 122.820 0.439 0.000 2.566 203 A HA 0.502 4.823 4.320 0.001 0.000 0.297 203 A C -1.302 176.414 177.584 0.220 0.000 1.059 203 A CA -0.671 51.555 52.037 0.314 0.000 0.691 203 A CB 0.952 20.182 19.000 0.383 0.000 1.282 203 A HN 0.114 nan 8.150 nan 0.000 0.401 204 I N 1.833 122.489 120.570 0.144 0.000 2.331 204 I HA 0.321 4.492 4.170 0.001 0.000 0.292 204 I C -0.922 175.249 176.117 0.090 0.000 0.998 204 I CA -0.564 60.799 61.300 0.105 0.000 1.267 204 I CB 1.416 39.459 38.000 0.073 0.000 1.386 204 I HN 0.409 nan 8.210 nan 0.000 0.476 205 L N 7.704 128.979 121.223 0.085 0.000 2.283 205 L HA 0.352 4.693 4.340 0.001 0.000 0.281 205 L C -0.739 176.098 176.870 -0.055 0.000 1.033 205 L CA -0.089 54.768 54.840 0.029 0.000 0.848 205 L CB 0.279 42.406 42.059 0.114 0.000 1.226 205 L HN 0.338 nan 8.230 nan 0.000 0.429 206 F N 3.868 123.647 119.950 -0.285 0.000 2.361 206 F HA 0.476 5.004 4.527 0.002 0.000 0.364 206 F C 0.056 175.718 175.800 -0.229 0.000 1.120 206 F CA -0.544 57.313 58.000 -0.238 0.000 1.102 206 F CB 1.068 39.909 39.000 -0.266 0.000 1.183 206 F HN 0.094 nan 8.300 nan 0.000 0.476 207 V N 7.663 127.340 119.914 -0.395 0.000 2.406 207 V HA 0.350 4.471 4.120 0.001 0.000 0.272 207 V C 0.118 176.096 176.094 -0.193 0.000 1.043 207 V CA -0.246 61.854 62.300 -0.335 0.000 0.915 207 V CB 1.190 32.814 31.823 -0.332 0.000 0.988 207 V HN 0.750 nan 8.190 nan 0.000 0.466 208 M N 4.501 124.071 119.600 -0.051 0.000 2.644 208 M HA 0.597 5.078 4.480 0.001 0.000 0.304 208 M C -0.353 175.994 176.300 0.079 0.000 1.215 208 M CA -0.668 54.683 55.300 0.084 0.000 0.871 208 M CB 2.586 35.358 32.600 0.286 0.000 1.740 208 M HN 0.452 nan 8.290 nan 0.000 0.464 209 R N 0.303 120.888 120.500 0.143 0.000 2.346 209 R HA 0.610 4.951 4.340 0.001 0.000 0.311 209 R C 0.579 177.052 176.300 0.288 0.000 0.983 209 R CA 0.050 56.245 56.100 0.158 0.000 0.880 209 R CB 1.442 31.805 30.300 0.105 0.000 1.100 209 R HN 0.949 nan 8.270 nan 0.000 0.453 210 A N 2.692 125.703 122.820 0.318 0.000 1.908 210 A HA -0.197 4.124 4.320 0.001 0.000 0.218 210 A C 1.851 179.610 177.584 0.293 0.000 1.181 210 A CA 2.130 54.449 52.037 0.470 0.000 0.627 210 A CB -0.599 18.701 19.000 0.499 0.000 0.818 210 A HN 0.874 nan 8.150 nan 0.000 0.445 211 S N -0.128 115.661 115.700 0.149 0.000 2.374 211 S HA -0.204 4.267 4.470 0.001 0.000 0.227 211 S C 0.864 175.497 174.600 0.056 0.000 1.037 211 S CA 1.563 59.803 58.200 0.067 0.000 1.024 211 S CB -0.291 62.933 63.200 0.041 0.000 0.861 211 S HN 0.755 nan 8.310 nan 0.000 0.456 212 Q N 1.638 121.484 119.800 0.078 0.000 2.700 212 Q HA 0.340 4.680 4.340 0.001 0.000 0.249 212 Q C -2.870 173.141 176.000 0.018 0.000 1.033 212 Q CA -1.910 53.912 55.803 0.032 0.000 0.804 212 Q CB 1.470 30.229 28.738 0.035 0.000 1.164 212 Q HN 0.302 nan 8.270 nan 0.000 0.500 213 P HA -0.020 nan 4.420 nan 0.000 0.271 213 P C -0.303 176.832 177.300 -0.275 0.000 1.220 213 P CA 0.033 62.875 63.100 -0.431 0.000 0.768 213 P CB 0.889 32.041 31.700 -0.912 0.000 0.848 214 C N 1.302 120.508 119.300 -0.157 0.000 3.896 214 C HA -0.114 4.347 4.460 0.001 0.000 0.300 214 C C 1.099 176.073 174.990 -0.026 0.000 1.322 214 C CA 0.704 59.680 59.018 -0.069 0.000 2.130 214 C CB -3.314 24.335 27.740 -0.152 0.000 1.363 214 C HN 0.684 nan 8.230 nan 0.000 0.642 215 T N 2.228 116.796 114.554 0.024 0.000 2.848 215 T HA 0.004 4.355 4.350 0.001 0.000 0.340 215 T C 1.508 176.229 174.700 0.036 0.000 1.091 215 T CA 0.568 62.687 62.100 0.032 0.000 1.123 215 T CB 0.395 69.300 68.868 0.062 0.000 1.042 215 T HN 0.601 nan 8.240 nan 0.000 0.544 216 L N 2.262 123.499 121.223 0.023 0.000 1.990 216 L HA -0.126 4.215 4.340 0.001 0.000 0.213 216 L C 2.475 179.388 176.870 0.072 0.000 1.072 216 L CA 2.742 57.596 54.840 0.025 0.000 0.755 216 L CB -1.783 40.277 42.059 0.002 0.000 0.889 216 L HN 0.924 nan 8.230 nan 0.000 0.432 217 G N -1.005 107.850 108.800 0.093 0.000 2.462 217 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 217 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 217 G C 1.438 176.464 174.900 0.211 0.000 1.121 217 G CA 0.766 45.953 45.100 0.144 0.000 0.758 217 G HN 0.568 nan 8.290 nan 0.000 0.559 218 E N 0.129 120.448 120.200 0.198 0.000 2.033 218 E HA -0.059 4.292 4.350 0.001 0.000 0.189 218 E C 2.758 179.498 176.600 0.234 0.000 0.979 218 E CA 0.695 57.274 56.400 0.298 0.000 0.802 218 E CB -0.075 29.802 29.700 0.294 0.000 0.763 218 E HN 0.473 nan 8.360 nan 0.000 0.449 219 R N 0.870 121.446 120.500 0.125 0.000 2.148 219 R HA -0.021 4.319 4.340 0.001 0.000 0.227 219 R C 2.180 178.546 176.300 0.109 0.000 1.103 219 R CA 0.802 56.949 56.100 0.079 0.000 0.983 219 R CB -0.315 30.013 30.300 0.047 0.000 0.874 219 R HN 0.008 nan 8.270 nan 0.000 0.451 220 R N 0.248 120.826 120.500 0.131 0.000 2.070 220 R HA -0.188 4.152 4.340 0.001 0.000 0.233 220 R C 2.111 178.489 176.300 0.130 0.000 1.137 220 R CA 1.911 58.084 56.100 0.123 0.000 0.945 220 R CB -0.455 29.936 30.300 0.152 0.000 0.845 220 R HN 0.268 nan 8.270 nan 0.000 0.430 221 Y N 1.157 121.543 120.300 0.143 0.000 2.145 221 Y HA -0.225 4.326 4.550 0.002 0.000 0.286 221 Y C 1.999 177.995 175.900 0.159 0.000 1.145 221 Y CA 1.721 59.967 58.100 0.244 0.000 1.148 221 Y CB -0.283 38.406 38.460 0.381 0.000 0.981 221 Y HN 0.026 nan 8.280 nan 0.000 0.507 222 L N -0.020 121.357 121.223 0.257 0.000 2.042 222 L HA -0.237 4.104 4.340 0.001 0.000 0.210 222 L C 2.529 179.474 176.870 0.125 0.000 1.076 222 L CA 1.975 56.858 54.840 0.071 0.000 0.749 222 L CB -0.514 41.371 42.059 -0.290 0.000 0.893 222 L HN 0.295 nan 8.230 nan 0.000 0.432 223 E N -0.117 120.140 120.200 0.094 0.000 2.107 223 E HA -0.184 4.166 4.350 0.001 0.000 0.191 223 E C 1.865 178.393 176.600 -0.121 0.000 0.982 223 E CA 0.910 57.341 56.400 0.051 0.000 0.809 223 E CB 0.203 29.928 29.700 0.042 0.000 0.756 223 E HN 0.438 nan 8.360 nan 0.000 0.459 224 N N -0.643 117.852 118.700 -0.343 0.000 2.216 224 N HA -0.118 4.623 4.740 0.001 0.000 0.183 224 N C 0.724 175.772 175.510 -0.768 0.000 1.017 224 N CA 1.208 53.824 53.050 -0.723 0.000 0.861 224 N CB 0.009 37.727 38.487 -1.280 0.000 0.986 224 N HN 0.365 nan 8.380 nan 0.000 0.428 225 Y N -1.667 118.517 120.300 -0.193 0.000 2.432 225 Y HA 0.429 4.980 4.550 0.002 0.000 0.252 225 Y C 1.368 177.226 175.900 -0.070 0.000 1.097 225 Y CA -0.282 57.696 58.100 -0.203 0.000 1.250 225 Y CB 0.851 39.037 38.460 -0.457 0.000 1.245 225 Y HN -0.121 nan 8.280 nan 0.000 0.522 226 I N -0.923 119.714 120.570 0.111 0.000 4.398 226 I HA 0.031 4.201 4.170 0.001 0.000 0.310 226 I C 0.656 176.902 176.117 0.214 0.000 1.232 226 I CA -0.086 61.316 61.300 0.170 0.000 1.312 226 I CB 0.542 38.648 38.000 0.177 0.000 1.347 226 I HN -0.214 nan 8.210 nan 0.000 0.454 227 K N 1.952 122.502 120.400 0.251 0.000 2.453 227 K HA 0.154 4.475 4.320 0.001 0.000 0.280 227 K C 1.073 177.673 176.600 0.000 0.000 1.045 227 K CA 1.162 57.511 56.287 0.104 0.000 1.059 227 K CB 0.104 32.608 32.500 0.008 0.000 0.901 227 K HN 0.389 nan 8.250 nan 0.000 0.475 228 G N 4.233 113.010 108.800 -0.038 0.000 2.234 228 G HA2 -0.312 3.649 3.960 0.001 0.000 0.260 228 G HA3 -0.312 3.649 3.960 0.001 0.000 0.260 228 G C 0.501 175.402 174.900 0.001 0.000 0.987 228 G CA 0.403 45.482 45.100 -0.035 0.000 0.625 228 G HN 0.746 nan 8.290 nan 0.000 0.532 229 R N 1.512 122.024 120.500 0.021 0.000 2.547 229 R HA 0.389 4.730 4.340 0.001 0.000 0.258 229 R C 1.255 177.569 176.300 0.022 0.000 1.115 229 R CA 0.230 56.343 56.100 0.022 0.000 1.152 229 R CB -0.944 29.362 30.300 0.011 0.000 1.221 229 R HN 1.457 nan 8.270 nan 0.000 0.539 230 G N 1.962 110.778 108.800 0.027 0.000 2.332 230 G HA2 -0.267 3.694 3.960 0.001 0.000 0.277 230 G HA3 -0.267 3.694 3.960 0.001 0.000 0.277 230 G C -0.208 174.711 174.900 0.032 0.000 0.884 230 G CA 0.379 45.497 45.100 0.029 0.000 1.251 230 G HN 0.367 nan 8.290 nan 0.000 0.462 231 L N -0.278 120.965 121.223 0.034 0.000 2.332 231 L HA 0.640 4.981 4.340 0.001 0.000 0.269 231 L C 0.711 177.574 176.870 -0.012 0.000 1.016 231 L CA -0.975 53.883 54.840 0.030 0.000 0.809 231 L CB 1.793 43.874 42.059 0.036 0.000 1.280 231 L HN 0.076 nan 8.230 nan 0.000 0.447 232 T N 1.744 116.274 114.554 -0.039 0.000 2.762 232 T HA 0.378 4.729 4.350 0.001 0.000 0.303 232 T C -0.507 174.031 174.700 -0.270 0.000 0.977 232 T CA -0.264 61.689 62.100 -0.245 0.000 0.961 232 T CB 0.946 69.510 68.868 -0.507 0.000 0.944 232 T HN 0.365 nan 8.240 nan 0.000 0.481 233 V N 4.957 124.662 119.914 -0.348 0.000 2.495 233 V HA 0.718 4.839 4.120 0.001 0.000 0.298 233 V C -1.246 174.455 176.094 -0.656 0.000 1.031 233 V CA -0.996 61.055 62.300 -0.415 0.000 0.871 233 V CB 0.716 32.252 31.823 -0.478 0.000 0.988 233 V HN 0.682 nan 8.190 nan 0.000 0.432 234 F N 6.227 125.925 119.950 -0.419 0.000 2.394 234 F HA 0.618 5.146 4.527 0.002 0.000 0.340 234 F C -0.095 175.387 175.800 -0.530 0.000 1.105 234 F CA -0.368 57.452 58.000 -0.300 0.000 1.124 234 F CB 1.279 40.297 39.000 0.030 0.000 1.145 234 F HN 0.420 nan 8.300 nan 0.000 0.505 235 F N 3.775 123.688 119.950 -0.062 0.000 2.402 235 F HA 0.490 5.018 4.527 0.001 0.000 0.355 235 F C -0.573 175.059 175.800 -0.280 0.000 1.123 235 F CA -0.749 57.156 58.000 -0.160 0.000 1.021 235 F CB 0.988 39.838 39.000 -0.249 0.000 1.160 235 F HN 0.108 nan 8.300 nan 0.000 0.451 236 L N 4.955 126.048 121.223 -0.218 0.000 2.277 236 L HA 0.446 4.787 4.340 0.001 0.000 0.284 236 L C -0.538 176.129 176.870 -0.337 0.000 1.028 236 L CA -0.792 53.780 54.840 -0.446 0.000 0.835 236 L CB 1.093 42.616 42.059 -0.893 0.000 1.215 236 L HN 0.292 nan 8.230 nan 0.000 0.425 237 V N 3.456 123.144 119.914 -0.376 0.000 2.370 237 V HA 0.103 4.224 4.120 0.001 0.000 0.257 237 V C 0.559 176.561 176.094 -0.153 0.000 1.064 237 V CA -0.036 62.049 62.300 -0.359 0.000 0.975 237 V CB 0.223 31.619 31.823 -0.711 0.000 1.067 237 V HN 0.780 nan 8.190 nan 0.000 0.485 238 N N 3.082 121.754 118.700 -0.046 0.000 2.448 238 N HA 0.512 5.253 4.740 0.001 0.000 0.274 238 N C 0.870 176.471 175.510 0.152 0.000 1.239 238 N CA -0.041 53.029 53.050 0.033 0.000 0.982 238 N CB 0.910 39.399 38.487 0.004 0.000 1.199 238 N HN 0.801 nan 8.380 nan 0.000 0.576 239 A N 0.434 123.349 122.820 0.158 0.000 2.704 239 A HA -0.175 4.146 4.320 0.001 0.000 0.299 239 A C 0.985 178.685 177.584 0.193 0.000 1.507 239 A CA 0.912 53.040 52.037 0.151 0.000 0.776 239 A CB -2.355 16.707 19.000 0.103 0.000 1.027 239 A HN 0.930 nan 8.150 nan 0.000 0.475 240 W N 0.877 122.198 121.300 0.035 0.000 2.374 240 W HA -0.193 4.468 4.660 0.001 0.000 0.288 240 W C 1.211 177.757 176.519 0.044 0.000 1.218 240 W CA 1.676 59.042 57.345 0.035 0.000 1.245 240 W CB -0.024 29.449 29.460 0.022 0.000 1.126 240 W HN 0.801 nan 8.180 nan 0.000 0.545 241 D N -0.245 120.176 120.400 0.036 0.000 2.378 241 D HA -0.154 4.486 4.640 0.001 0.000 0.227 241 D C 1.360 177.604 176.300 -0.094 0.000 1.012 241 D CA 0.718 54.684 54.000 -0.057 0.000 0.905 241 D CB -0.702 40.124 40.800 0.044 0.000 0.895 241 D HN 0.342 nan 8.370 nan 0.000 0.532 242 Q N 0.026 119.767 119.800 -0.098 0.000 2.194 242 Q HA 0.140 4.481 4.340 0.001 0.000 0.214 242 Q C 1.665 177.594 176.000 -0.118 0.000 0.838 242 Q CA -0.122 55.636 55.803 -0.075 0.000 0.972 242 Q CB 1.189 29.915 28.738 -0.021 0.000 1.131 242 Q HN 0.135 nan 8.270 nan 0.000 0.498 243 V N 0.978 120.754 119.914 -0.230 0.000 2.546 243 V HA -0.301 3.820 4.120 0.001 0.000 0.254 243 V C 2.283 178.279 176.094 -0.165 0.000 1.076 243 V CA 1.901 64.048 62.300 -0.254 0.000 1.087 243 V CB -0.545 30.989 31.823 -0.482 0.000 0.674 243 V HN 0.343 nan 8.190 nan 0.000 0.470 244 R N -0.178 120.236 120.500 -0.143 0.000 2.148 244 R HA -0.154 4.187 4.340 0.001 0.000 0.227 244 R C 2.226 178.488 176.300 -0.063 0.000 1.103 244 R CA 1.324 57.367 56.100 -0.095 0.000 0.983 244 R CB -0.053 30.199 30.300 -0.081 0.000 0.874 244 R HN 0.662 nan 8.270 nan 0.000 0.451 245 E N -0.251 119.916 120.200 -0.055 0.000 2.110 245 E HA -0.149 4.202 4.350 0.001 0.000 0.193 245 E C 1.763 178.343 176.600 -0.033 0.000 0.988 245 E CA 1.591 57.969 56.400 -0.035 0.000 0.804 245 E CB 0.018 29.702 29.700 -0.026 0.000 0.745 245 E HN 0.362 nan 8.360 nan 0.000 0.458 246 S N 0.589 116.264 115.700 -0.042 0.000 2.515 246 S HA -0.002 4.469 4.470 0.001 0.000 0.231 246 S C 0.954 175.534 174.600 -0.034 0.000 0.987 246 S CA -0.016 58.162 58.200 -0.036 0.000 0.936 246 S CB -0.318 62.857 63.200 -0.040 0.000 0.766 246 S HN 0.051 nan 8.310 nan 0.000 0.528 247 L N 1.600 122.800 121.223 -0.039 0.000 2.439 247 L HA 0.139 4.480 4.340 0.001 0.000 0.269 247 L C 1.603 178.458 176.870 -0.025 0.000 1.179 247 L CA -0.775 54.045 54.840 -0.034 0.000 0.828 247 L CB 0.204 42.240 42.059 -0.038 0.000 1.106 247 L HN 0.103 nan 8.230 nan 0.000 0.467 248 I N 0.638 121.196 120.570 -0.021 0.000 2.099 248 I HA -0.195 3.976 4.170 0.001 0.000 0.239 248 I C 0.988 177.096 176.117 -0.015 0.000 1.066 248 I CA 1.542 62.832 61.300 -0.016 0.000 1.324 248 I CB -0.821 37.171 38.000 -0.014 0.000 1.037 248 I HN 0.676 nan 8.210 nan 0.000 0.401 249 D N 1.775 122.166 120.400 -0.016 0.000 2.453 249 D HA 0.198 4.839 4.640 0.001 0.000 0.238 249 D C -1.812 174.477 176.300 -0.018 0.000 1.088 249 D CA -2.522 51.469 54.000 -0.014 0.000 0.854 249 D CB 1.690 42.483 40.800 -0.011 0.000 1.076 249 D HN -0.060 nan 8.370 nan 0.000 0.533 250 P HA -0.081 nan 4.420 nan 0.000 0.221 250 P C 0.085 177.373 177.300 -0.020 0.000 1.145 250 P CA 0.806 63.893 63.100 -0.022 0.000 0.795 250 P CB 0.464 32.153 31.700 -0.019 0.000 0.775 251 D N -0.678 119.713 120.400 -0.014 0.000 2.342 251 D HA 0.025 4.665 4.640 0.001 0.000 0.221 251 D C 0.098 176.393 176.300 -0.010 0.000 1.101 251 D CA 0.356 54.350 54.000 -0.011 0.000 0.837 251 D CB 0.038 40.834 40.800 -0.007 0.000 0.938 251 D HN 0.171 nan 8.370 nan 0.000 0.508 252 D N 1.056 121.448 120.400 -0.013 0.000 2.392 252 D HA 0.039 4.680 4.640 0.001 0.000 0.228 252 D C 1.596 177.890 176.300 -0.011 0.000 1.074 252 D CA -0.569 53.425 54.000 -0.010 0.000 0.838 252 D CB 1.910 42.703 40.800 -0.010 0.000 1.067 252 D HN -0.135 nan 8.370 nan 0.000 0.511 253 V N 1.933 121.844 119.914 -0.006 0.000 2.453 253 V HA -0.082 4.038 4.120 0.001 0.000 0.247 253 V C 1.737 177.831 176.094 -0.001 0.000 1.048 253 V CA 1.106 63.405 62.300 -0.003 0.000 1.049 253 V CB -0.648 31.178 31.823 0.004 0.000 0.672 253 V HN 0.440 nan 8.190 nan 0.000 0.457 254 E N 0.631 120.831 120.200 0.000 0.000 2.047 254 E HA -0.234 4.117 4.350 0.001 0.000 0.191 254 E C 2.288 178.887 176.600 -0.002 0.000 0.987 254 E CA 1.509 57.910 56.400 0.002 0.000 0.799 254 E CB -0.219 29.483 29.700 0.002 0.000 0.752 254 E HN 0.781 nan 8.360 nan 0.000 0.449 255 E N 0.660 120.856 120.200 -0.007 0.000 2.118 255 E HA -0.236 4.115 4.350 0.001 0.000 0.195 255 E C 2.133 178.721 176.600 -0.021 0.000 0.992 255 E CA 0.721 57.113 56.400 -0.013 0.000 0.804 255 E CB 0.022 29.713 29.700 -0.016 0.000 0.741 255 E HN 0.073 nan 8.360 nan 0.000 0.458 256 L N 1.259 122.466 121.223 -0.026 0.000 1.994 256 L HA -0.222 4.118 4.340 0.001 0.000 0.208 256 L C 2.453 179.305 176.870 -0.030 0.000 1.071 256 L CA 2.095 56.908 54.840 -0.044 0.000 0.745 256 L CB -0.892 41.138 42.059 -0.048 0.000 0.892 256 L HN 0.126 nan 8.230 nan 0.000 0.431 257 Q N -0.195 119.604 119.800 -0.001 0.000 2.084 257 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 257 Q C 2.143 178.163 176.000 0.032 0.000 0.978 257 Q CA 2.172 57.992 55.803 0.029 0.000 0.844 257 Q CB -0.588 28.172 28.738 0.037 0.000 0.898 257 Q HN 0.589 nan 8.270 nan 0.000 0.426 258 A N -0.490 122.340 122.820 0.016 0.000 1.892 258 A HA -0.222 4.098 4.320 0.001 0.000 0.218 258 A C 2.358 179.951 177.584 0.016 0.000 1.188 258 A CA 2.134 54.181 52.037 0.016 0.000 0.631 258 A CB -1.237 17.766 19.000 0.005 0.000 0.822 258 A HN 0.456 nan 8.150 nan 0.000 0.447 259 S N -0.920 114.777 115.700 -0.004 0.000 2.383 259 S HA -0.139 4.332 4.470 0.001 0.000 0.227 259 S C 1.905 176.500 174.600 -0.009 0.000 1.026 259 S CA 1.434 59.622 58.200 -0.019 0.000 0.981 259 S CB -0.335 62.834 63.200 -0.051 0.000 0.818 259 S HN 0.656 nan 8.310 nan 0.000 0.472 260 E N 0.730 120.924 120.200 -0.010 0.000 2.106 260 E HA -0.078 4.273 4.350 0.001 0.000 0.192 260 E C 1.849 178.600 176.600 0.251 0.000 0.984 260 E CA 0.891 57.332 56.400 0.067 0.000 0.806 260 E CB -0.144 29.617 29.700 0.101 0.000 0.750 260 E HN 0.431 nan 8.360 nan 0.000 0.458 261 N N 1.052 119.847 118.700 0.157 0.000 2.188 261 N HA -0.141 4.599 4.740 0.001 0.000 0.184 261 N C 1.827 177.405 175.510 0.113 0.000 1.018 261 N CA 1.103 54.235 53.050 0.138 0.000 0.858 261 N CB -0.173 38.364 38.487 0.083 0.000 0.989 261 N HN 0.302 nan 8.380 nan 0.000 0.426 262 R N -0.082 120.468 120.500 0.083 0.000 2.119 262 R HA 0.077 4.417 4.340 0.001 0.000 0.222 262 R C 1.771 178.116 176.300 0.074 0.000 1.088 262 R CA 0.430 56.562 56.100 0.054 0.000 0.984 262 R CB -0.628 29.685 30.300 0.021 0.000 0.884 262 R HN -0.010 nan 8.270 nan 0.000 0.447 263 L N 1.857 123.157 121.223 0.128 0.000 2.012 263 L HA -0.073 4.268 4.340 0.001 0.000 0.210 263 L C 2.567 179.641 176.870 0.340 0.000 1.073 263 L CA 1.721 56.681 54.840 0.200 0.000 0.748 263 L CB -0.573 41.656 42.059 0.283 0.000 0.891 263 L HN 0.141 nan 8.230 nan 0.000 0.431 264 R N -1.410 119.326 120.500 0.392 0.000 2.105 264 R HA -0.197 4.144 4.340 0.001 0.000 0.239 264 R C 2.206 178.627 176.300 0.202 0.000 1.135 264 R CA 1.112 57.411 56.100 0.332 0.000 0.967 264 R CB -0.267 30.162 30.300 0.215 0.000 0.861 264 R HN 0.426 nan 8.270 nan 0.000 0.442 265 Q N 0.287 120.152 119.800 0.108 0.000 2.119 265 Q HA -0.093 4.248 4.340 0.001 0.000 0.201 265 Q C 2.180 178.181 176.000 0.001 0.000 0.972 265 Q CA 1.230 57.047 55.803 0.022 0.000 0.847 265 Q CB -0.109 28.630 28.738 0.001 0.000 0.903 265 Q HN 0.189 nan 8.270 nan 0.000 0.433 266 V N 0.168 120.071 119.914 -0.019 0.000 2.295 266 V HA -0.236 3.884 4.120 0.001 0.000 0.246 266 V C 2.070 178.094 176.094 -0.118 0.000 1.049 266 V CA 1.646 63.874 62.300 -0.120 0.000 1.024 266 V CB -0.795 30.886 31.823 -0.238 0.000 0.648 266 V HN 0.218 nan 8.190 nan 0.000 0.447 267 F N 0.760 120.719 119.950 0.015 0.000 2.126 267 F HA -0.213 4.315 4.527 0.001 0.000 0.299 267 F C 2.455 178.282 175.800 0.045 0.000 1.096 267 F CA 2.124 60.133 58.000 0.014 0.000 1.255 267 F CB -0.452 38.574 39.000 0.043 0.000 0.997 267 F HN 0.222 nan 8.300 nan 0.000 0.479 268 N N 0.389 119.195 118.700 0.176 0.000 2.244 268 N HA -0.139 4.601 4.740 0.001 0.000 0.183 268 N C 1.720 177.197 175.510 -0.056 0.000 1.016 268 N CA 1.203 54.204 53.050 -0.082 0.000 0.866 268 N CB -0.238 38.030 38.487 -0.364 0.000 0.980 268 N HN 0.187 nan 8.380 nan 0.000 0.430 269 A N 0.441 123.238 122.820 -0.039 0.000 1.877 269 A HA -0.107 4.214 4.320 0.001 0.000 0.216 269 A C 1.992 179.565 177.584 -0.018 0.000 1.186 269 A CA 1.461 53.472 52.037 -0.043 0.000 0.620 269 A CB -0.549 18.421 19.000 -0.050 0.000 0.822 269 A HN 0.428 nan 8.150 nan 0.000 0.443 270 N N -0.609 118.086 118.700 -0.007 0.000 2.395 270 N HA 0.091 4.832 4.740 0.001 0.000 0.175 270 N C 1.374 176.927 175.510 0.070 0.000 1.029 270 N CA 0.871 53.928 53.050 0.012 0.000 0.897 270 N CB 0.105 38.572 38.487 -0.033 0.000 0.991 270 N HN 0.453 nan 8.380 nan 0.000 0.441 271 L N 0.052 121.305 121.223 0.051 0.000 2.609 271 L HA 0.291 4.631 4.340 0.001 0.000 0.230 271 L C 2.282 179.241 176.870 0.149 0.000 1.087 271 L CA -0.026 54.813 54.840 -0.001 0.000 0.874 271 L CB -0.098 41.735 42.059 -0.377 0.000 1.114 271 L HN -0.047 nan 8.230 nan 0.000 0.488 272 A N 1.315 124.239 122.820 0.173 0.000 1.917 272 A HA -0.280 4.041 4.320 0.001 0.000 0.219 272 A C 2.215 179.850 177.584 0.085 0.000 1.182 272 A CA 2.198 54.339 52.037 0.174 0.000 0.633 272 A CB -0.516 18.490 19.000 0.010 0.000 0.819 272 A HN 0.587 nan 8.150 nan 0.000 0.448 273 E N -1.508 118.692 120.200 -0.000 0.000 2.160 273 E HA -0.246 4.105 4.350 0.001 0.000 0.195 273 E C 1.520 178.020 176.600 -0.166 0.000 0.991 273 E CA 1.501 57.828 56.400 -0.122 0.000 0.810 273 E CB -0.404 29.158 29.700 -0.229 0.000 0.742 273 E HN 0.746 nan 8.360 nan 0.000 0.466 274 Y N -0.368 119.926 120.300 -0.010 0.000 2.544 274 Y HA 0.047 4.598 4.550 0.002 0.000 0.286 274 Y C 1.728 177.656 175.900 0.047 0.000 1.141 274 Y CA 0.378 58.500 58.100 0.037 0.000 1.299 274 Y CB 0.371 38.894 38.460 0.104 0.000 1.030 274 Y HN 0.213 nan 8.280 nan 0.000 0.543 275 C N -0.930 118.458 119.300 0.146 0.000 2.884 275 C HA 0.226 4.687 4.460 0.001 0.000 0.287 275 C C 1.060 176.065 174.990 0.025 0.000 1.310 275 C CA -0.322 58.732 59.018 0.060 0.000 1.725 275 C CB -0.961 26.793 27.740 0.024 0.000 2.060 275 C HN 0.244 nan 8.230 nan 0.000 0.618 276 T N 0.419 114.985 114.554 0.019 0.000 2.758 276 T HA 0.476 4.827 4.350 0.001 0.000 0.285 276 T C 0.834 175.529 174.700 -0.007 0.000 0.981 276 T CA -0.082 62.019 62.100 0.001 0.000 0.965 276 T CB 0.860 69.723 68.868 -0.008 0.000 0.927 276 T HN 0.080 nan 8.240 nan 0.000 0.448 277 V N 4.417 124.329 119.914 -0.002 0.000 2.490 277 V HA 0.228 4.349 4.120 0.001 0.000 0.238 277 V C 1.362 177.459 176.094 0.006 0.000 1.056 277 V CA 0.785 63.087 62.300 0.004 0.000 1.075 277 V CB -0.325 31.506 31.823 0.014 0.000 0.746 277 V HN 0.967 nan 8.190 nan 0.000 0.479 278 E N 0.184 120.389 120.200 0.007 0.000 3.575 278 E HA 0.487 4.838 4.350 0.001 0.000 0.201 278 E C 0.887 177.489 176.600 0.003 0.000 0.999 278 E CA 0.476 56.881 56.400 0.008 0.000 1.315 278 E CB 0.642 30.352 29.700 0.017 0.000 1.146 278 E HN 0.506 nan 8.360 nan 0.000 0.453 279 G N 1.056 109.855 108.800 -0.003 0.000 2.258 279 G HA2 -0.257 3.704 3.960 0.001 0.000 0.233 279 G HA3 -0.257 3.704 3.960 0.001 0.000 0.233 279 G C 0.188 175.086 174.900 -0.004 0.000 1.006 279 G CA -0.274 44.822 45.100 -0.006 0.000 0.620 279 G HN 0.262 nan 8.290 nan 0.000 0.511 280 Q N 0.927 120.727 119.800 0.000 0.000 2.294 280 Q HA 0.402 4.743 4.340 0.001 0.000 0.257 280 Q C -0.127 175.875 176.000 0.003 0.000 0.955 280 Q CA -0.503 55.302 55.803 0.002 0.000 0.936 280 Q CB 1.274 30.016 28.738 0.007 0.000 1.188 280 Q HN 0.455 nan 8.270 nan 0.000 0.420 281 N N 2.814 121.517 118.700 0.004 0.000 2.411 281 N HA 0.163 4.904 4.740 0.001 0.000 0.259 281 N C -0.190 175.332 175.510 0.020 0.000 1.103 281 N CA -0.091 52.967 53.050 0.013 0.000 0.954 281 N CB 0.237 38.728 38.487 0.007 0.000 1.085 281 N HN 0.611 nan 8.380 nan 0.000 0.485 282 I N 1.037 121.620 120.570 0.022 0.000 3.176 282 I HA 0.257 4.428 4.170 0.001 0.000 0.339 282 I C 0.441 176.552 176.117 -0.010 0.000 1.505 282 I CA -0.766 60.536 61.300 0.004 0.000 0.969 282 I CB -0.117 37.871 38.000 -0.020 0.000 1.636 282 I HN 0.406 nan 8.210 nan 0.000 0.523 283 Y N 2.068 122.307 120.300 -0.101 0.000 2.081 283 Y HA -0.296 4.255 4.550 0.001 0.000 0.280 283 Y C 1.947 177.713 175.900 -0.222 0.000 1.163 283 Y CA 2.152 60.168 58.100 -0.140 0.000 1.135 283 Y CB 0.124 38.512 38.460 -0.120 0.000 0.970 283 Y HN 0.354 nan 8.280 nan 0.000 0.498 284 D N 0.137 120.553 120.400 0.027 0.000 2.354 284 D HA -0.147 4.493 4.640 0.001 0.000 0.216 284 D C 0.996 177.145 176.300 -0.252 0.000 0.970 284 D CA 1.389 55.321 54.000 -0.113 0.000 0.905 284 D CB -0.191 40.609 40.800 0.000 0.000 0.903 284 D HN 0.641 nan 8.370 nan 0.000 0.508 285 E N -0.546 119.544 120.200 -0.184 0.000 2.501 285 E HA 0.155 4.506 4.350 0.001 0.000 0.200 285 E C 1.313 177.869 176.600 -0.074 0.000 1.016 285 E CA -0.132 56.265 56.400 -0.005 0.000 0.921 285 E CB 0.777 30.514 29.700 0.061 0.000 1.034 285 E HN -0.028 nan 8.360 nan 0.000 0.468 286 R N -0.378 119.840 120.500 -0.470 0.000 2.650 286 R HA 0.191 4.532 4.340 0.001 0.000 0.212 286 R C 0.015 176.028 176.300 -0.478 0.000 0.904 286 R CA 0.307 56.159 56.100 -0.414 0.000 1.021 286 R CB 1.142 31.195 30.300 -0.412 0.000 1.519 286 R HN -0.117 nan 8.270 nan 0.000 0.639 287 V N 3.071 122.415 119.914 -0.951 0.000 2.313 287 V HA 0.425 4.546 4.120 0.001 0.000 0.278 287 V C -0.989 174.546 176.094 -0.931 0.000 1.017 287 V CA -0.430 61.374 62.300 -0.825 0.000 0.823 287 V CB 0.816 31.935 31.823 -1.173 0.000 1.010 287 V HN -0.075 nan 8.190 nan 0.000 0.443 288 F N 1.992 121.756 119.950 -0.311 0.000 2.507 288 F HA 0.491 5.019 4.527 0.001 0.000 0.325 288 F C 0.584 176.115 175.800 -0.449 0.000 1.116 288 F CA -0.919 56.887 58.000 -0.323 0.000 0.930 288 F CB 1.826 40.683 39.000 -0.238 0.000 1.146 288 F HN 0.400 nan 8.300 nan 0.000 0.447 289 E N 4.524 124.538 120.200 -0.309 0.000 2.052 289 E HA 0.392 4.743 4.350 0.001 0.000 0.283 289 E C -0.845 175.614 176.600 -0.235 0.000 1.071 289 E CA -0.164 55.937 56.400 -0.498 0.000 0.851 289 E CB 0.724 29.785 29.700 -1.065 0.000 1.066 289 E HN 0.452 nan 8.360 nan 0.000 0.396 290 L N 1.627 122.766 121.223 -0.139 0.000 2.334 290 L HA 0.441 4.782 4.340 0.001 0.000 0.272 290 L C 0.348 177.334 176.870 0.194 0.000 1.020 290 L CA -0.861 53.977 54.840 -0.002 0.000 0.812 290 L CB 1.830 43.772 42.059 -0.194 0.000 1.264 290 L HN 0.328 nan 8.230 nan 0.000 0.439 291 S N -0.252 115.634 115.700 0.310 0.000 2.328 291 S HA 0.189 4.660 4.470 0.001 0.000 0.204 291 S C 0.856 175.648 174.600 0.319 0.000 1.475 291 S CA -0.612 57.756 58.200 0.279 0.000 1.148 291 S CB 0.595 63.929 63.200 0.222 0.000 1.077 291 S HN 0.657 nan 8.310 nan 0.000 0.479 292 S N 4.025 119.951 115.700 0.377 0.000 2.374 292 S HA -0.102 4.369 4.470 0.001 0.000 0.227 292 S C 1.728 176.391 174.600 0.104 0.000 1.037 292 S CA 1.220 59.625 58.200 0.342 0.000 1.024 292 S CB -0.300 63.117 63.200 0.362 0.000 0.861 292 S HN 0.794 nan 8.310 nan 0.000 0.456 293 I N 1.015 121.645 120.570 0.100 0.000 2.226 293 I HA -0.243 3.927 4.170 0.001 0.000 0.245 293 I C 2.728 178.853 176.117 0.013 0.000 1.100 293 I CA 1.366 62.694 61.300 0.047 0.000 1.374 293 I CB -0.376 37.655 38.000 0.053 0.000 1.057 293 I HN 0.375 nan 8.210 nan 0.000 0.413 294 Q N 0.321 120.138 119.800 0.028 0.000 2.046 294 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 294 Q C 2.344 178.308 176.000 -0.060 0.000 0.975 294 Q CA 2.061 57.867 55.803 0.005 0.000 0.836 294 Q CB -0.164 28.599 28.738 0.042 0.000 0.896 294 Q HN 0.550 nan 8.270 nan 0.000 0.428 295 A N 0.366 123.106 122.820 -0.134 0.000 1.908 295 A HA -0.210 4.110 4.320 0.001 0.000 0.218 295 A C 1.972 179.389 177.584 -0.279 0.000 1.181 295 A CA 1.422 53.252 52.037 -0.345 0.000 0.627 295 A CB -0.807 17.632 19.000 -0.935 0.000 0.818 295 A HN 0.425 nan 8.150 nan 0.000 0.445 296 L N -0.112 120.993 121.223 -0.196 0.000 2.017 296 L HA -0.149 4.192 4.340 0.001 0.000 0.208 296 L C 2.490 179.308 176.870 -0.086 0.000 1.073 296 L CA 1.983 56.746 54.840 -0.129 0.000 0.745 296 L CB -0.671 41.345 42.059 -0.072 0.000 0.894 296 L HN 0.356 nan 8.230 nan 0.000 0.432 297 R N -0.804 119.660 120.500 -0.060 0.000 2.083 297 R HA -0.169 4.172 4.340 0.001 0.000 0.237 297 R C 2.350 178.624 176.300 -0.044 0.000 1.137 297 R CA 1.874 57.952 56.100 -0.038 0.000 0.951 297 R CB -0.419 29.868 30.300 -0.021 0.000 0.851 297 R HN 0.427 nan 8.270 nan 0.000 0.434 298 R N 0.347 120.812 120.500 -0.059 0.000 2.082 298 R HA -0.100 4.241 4.340 0.001 0.000 0.234 298 R C 2.324 178.588 176.300 -0.059 0.000 1.136 298 R CA 1.400 57.467 56.100 -0.055 0.000 0.935 298 R CB -0.332 29.930 30.300 -0.064 0.000 0.842 298 R HN 0.234 nan 8.270 nan 0.000 0.430 299 R N 0.412 120.860 120.500 -0.087 0.000 2.237 299 R HA -0.087 4.254 4.340 0.001 0.000 0.219 299 R C 2.081 178.347 176.300 -0.056 0.000 1.080 299 R CA 0.635 56.687 56.100 -0.079 0.000 0.995 299 R CB -0.224 30.008 30.300 -0.114 0.000 0.875 299 R HN 0.113 nan 8.270 nan 0.000 0.462 300 L N 1.213 122.405 121.223 -0.051 0.000 2.072 300 L HA -0.118 4.222 4.340 0.001 0.000 0.205 300 L C 2.295 179.152 176.870 -0.022 0.000 1.079 300 L CA 1.733 56.554 54.840 -0.033 0.000 0.752 300 L CB -0.403 41.639 42.059 -0.028 0.000 0.906 300 L HN -0.058 nan 8.230 nan 0.000 0.436 301 K N -0.259 120.128 120.400 -0.023 0.000 2.103 301 K HA -0.094 4.226 4.320 0.001 0.000 0.204 301 K C 0.382 176.972 176.600 -0.016 0.000 1.052 301 K CA 1.050 57.328 56.287 -0.016 0.000 0.945 301 K CB 0.022 32.514 32.500 -0.014 0.000 0.722 301 K HN 0.224 nan 8.250 nan 0.000 0.443 302 N N -0.797 117.890 118.700 -0.022 0.000 2.599 302 N HA 0.224 4.965 4.740 0.001 0.000 0.283 302 N C -2.658 172.836 175.510 -0.026 0.000 1.160 302 N CA -1.723 51.315 53.050 -0.020 0.000 0.869 302 N CB 1.852 40.329 38.487 -0.016 0.000 1.448 302 N HN -0.219 nan 8.380 nan 0.000 0.535 303 P HA -0.113 nan 4.420 nan 0.000 0.219 303 P C 0.422 177.706 177.300 -0.026 0.000 1.144 303 P CA 1.398 64.482 63.100 -0.026 0.000 0.806 303 P CB 0.421 32.112 31.700 -0.016 0.000 0.771 304 Q N -1.876 117.912 119.800 -0.020 0.000 2.198 304 Q HA 0.315 4.656 4.340 0.001 0.000 0.209 304 Q C 0.659 176.649 176.000 -0.016 0.000 0.848 304 Q CA -0.307 55.487 55.803 -0.015 0.000 0.974 304 Q CB 0.136 28.869 28.738 -0.009 0.000 1.115 304 Q HN 0.114 nan 8.270 nan 0.000 0.494 305 A N 1.529 124.335 122.820 -0.023 0.000 2.507 305 A HA 0.010 4.331 4.320 0.001 0.000 0.235 305 A C -0.128 177.445 177.584 -0.019 0.000 1.070 305 A CA -0.090 51.934 52.037 -0.022 0.000 0.768 305 A CB 0.015 18.997 19.000 -0.029 0.000 1.011 305 A HN 0.211 nan 8.150 nan 0.000 0.502 306 D N 0.239 120.634 120.400 -0.010 0.000 2.390 306 D HA 0.313 4.953 4.640 0.001 0.000 0.249 306 D C 0.395 176.692 176.300 -0.004 0.000 1.144 306 D CA 0.102 54.101 54.000 -0.002 0.000 0.880 306 D CB 0.279 41.083 40.800 0.006 0.000 1.182 306 D HN 0.351 nan 8.370 nan 0.000 0.451 307 L N 3.355 124.580 121.223 0.004 0.000 2.872 307 L HA 0.176 4.517 4.340 0.001 0.000 0.245 307 L C 0.709 177.609 176.870 0.050 0.000 1.211 307 L CA -0.292 54.553 54.840 0.010 0.000 1.013 307 L CB -0.148 41.913 42.059 0.004 0.000 1.326 307 L HN 0.557 nan 8.230 nan 0.000 0.525 308 D N 0.689 121.114 120.400 0.043 0.000 2.424 308 D HA 0.113 4.754 4.640 0.001 0.000 0.244 308 D C 1.106 177.445 176.300 0.064 0.000 1.134 308 D CA 1.349 55.381 54.000 0.054 0.000 0.881 308 D CB 1.511 42.336 40.800 0.041 0.000 1.191 308 D HN 0.334 nan 8.370 nan 0.000 0.445 309 G N 2.724 111.574 108.800 0.083 0.000 2.234 309 G HA2 -0.332 3.629 3.960 0.001 0.000 0.235 309 G HA3 -0.332 3.629 3.960 0.001 0.000 0.235 309 G C 1.036 176.013 174.900 0.129 0.000 0.997 309 G CA 0.880 46.038 45.100 0.096 0.000 0.623 309 G HN 0.713 nan 8.290 nan 0.000 0.514 310 T N -1.795 112.848 114.554 0.148 0.000 3.065 310 T HA 0.444 4.795 4.350 0.001 0.000 0.252 310 T C 2.529 177.412 174.700 0.305 0.000 1.099 310 T CA 1.892 64.125 62.100 0.222 0.000 1.063 310 T CB 0.372 69.355 68.868 0.191 0.000 0.948 310 T HN 2.272 nan 8.240 nan 0.000 0.506 311 G N 0.463 109.390 108.800 0.211 0.000 2.268 311 G HA2 -0.292 3.669 3.960 0.001 0.000 0.240 311 G HA3 -0.292 3.669 3.960 0.001 0.000 0.240 311 G C 0.666 175.616 174.900 0.084 0.000 1.010 311 G CA 0.183 45.355 45.100 0.120 0.000 0.618 311 G HN 0.495 nan 8.290 nan 0.000 0.516 312 F N 1.981 121.949 119.950 0.031 0.000 2.102 312 F HA 0.041 4.569 4.527 0.002 0.000 0.298 312 F C 0.725 176.489 175.800 -0.059 0.000 1.105 312 F CA 2.187 60.213 58.000 0.044 0.000 1.239 312 F CB -1.038 37.993 39.000 0.052 0.000 0.991 312 F HN 0.242 nan 8.300 nan 0.000 0.474 313 P HA -0.222 nan 4.420 nan 0.000 0.215 313 P C 1.318 178.542 177.300 -0.125 0.000 1.157 313 P CA 1.840 64.931 63.100 -0.016 0.000 0.874 313 P CB -0.002 31.709 31.700 0.019 0.000 0.790 314 K N -1.709 118.625 120.400 -0.110 0.000 2.097 314 K HA -0.114 4.207 4.320 0.001 0.000 0.205 314 K C 1.886 178.145 176.600 -0.568 0.000 1.050 314 K CA 0.975 57.170 56.287 -0.154 0.000 0.938 314 K CB -0.781 31.754 32.500 0.057 0.000 0.718 314 K HN 0.007 nan 8.250 nan 0.000 0.442 315 F N 0.915 120.238 119.950 -1.045 0.000 2.113 315 F HA -0.137 4.391 4.527 0.001 0.000 0.297 315 F C 1.689 176.933 175.800 -0.928 0.000 1.103 315 F CA 1.517 58.515 58.000 -1.671 0.000 1.248 315 F CB -0.254 37.993 39.000 -1.255 0.000 0.999 315 F HN -0.067 nan 8.300 nan 0.000 0.475 316 M N 0.193 119.137 119.600 -1.093 0.000 2.159 316 M HA -0.197 4.284 4.480 0.001 0.000 0.263 316 M C 1.717 177.470 176.300 -0.912 0.000 1.063 316 M CA 1.701 56.301 55.300 -1.167 0.000 1.110 316 M CB -0.956 31.227 32.600 -0.695 0.000 1.374 316 M HN 0.127 nan 8.290 nan 0.000 0.411 317 D N 0.750 120.819 120.400 -0.552 0.000 2.106 317 D HA -0.121 4.520 4.640 0.001 0.000 0.191 317 D C 2.120 178.241 176.300 -0.298 0.000 0.997 317 D CA 1.589 55.389 54.000 -0.333 0.000 0.834 317 D CB -0.276 40.414 40.800 -0.183 0.000 0.956 317 D HN 0.217 nan 8.370 nan 0.000 0.448 318 S N 0.169 115.707 115.700 -0.271 0.000 2.368 318 S HA -0.125 4.345 4.470 0.001 0.000 0.225 318 S C 1.871 176.458 174.600 -0.022 0.000 1.030 318 S CA 0.371 58.576 58.200 0.007 0.000 0.999 318 S CB -0.290 63.123 63.200 0.355 0.000 0.844 318 S HN 0.170 nan 8.310 nan 0.000 0.459 319 L N 2.693 123.591 121.223 -0.541 0.000 2.046 319 L HA -0.097 4.243 4.340 0.001 0.000 0.208 319 L C 1.927 178.589 176.870 -0.347 0.000 1.077 319 L CA 1.664 56.072 54.840 -0.719 0.000 0.747 319 L CB -0.897 40.329 42.059 -1.388 0.000 0.896 319 L HN 0.182 nan 8.230 nan 0.000 0.432 320 N N -0.785 117.629 118.700 -0.476 0.000 2.013 320 N HA -0.206 4.535 4.740 0.001 0.000 0.195 320 N C 1.728 177.215 175.510 -0.038 0.000 1.051 320 N CA 2.442 55.435 53.050 -0.096 0.000 0.851 320 N CB -0.658 37.783 38.487 -0.076 0.000 1.044 320 N HN 0.431 nan 8.380 nan 0.000 0.422 321 T N -0.120 114.400 114.554 -0.057 0.000 2.778 321 T HA -0.159 4.192 4.350 0.001 0.000 0.269 321 T C 1.628 176.343 174.700 0.025 0.000 1.050 321 T CA 1.304 63.374 62.100 -0.050 0.000 1.137 321 T CB -0.549 68.309 68.868 -0.016 0.000 0.860 321 T HN 0.355 nan 8.240 nan 0.000 0.468 322 F N 1.275 121.220 119.950 -0.008 0.000 2.163 322 F HA 0.145 4.672 4.527 0.001 0.000 0.297 322 F C 1.825 177.640 175.800 0.026 0.000 1.094 322 F CA 0.926 58.964 58.000 0.063 0.000 1.290 322 F CB -0.297 38.837 39.000 0.223 0.000 1.017 322 F HN 0.035 nan 8.300 nan 0.000 0.483 323 L N -0.321 120.810 121.223 -0.154 0.000 2.095 323 L HA -0.083 4.258 4.340 0.001 0.000 0.204 323 L C 2.402 179.075 176.870 -0.328 0.000 1.080 323 L CA 1.663 56.230 54.840 -0.454 0.000 0.759 323 L CB -1.006 40.591 42.059 -0.771 0.000 0.914 323 L HN 0.298 nan 8.230 nan 0.000 0.439 324 T N -3.985 110.446 114.554 -0.204 0.000 3.044 324 T HA 0.098 4.448 4.350 0.001 0.000 0.250 324 T C 1.779 176.455 174.700 -0.039 0.000 1.081 324 T CA -0.128 61.941 62.100 -0.053 0.000 1.040 324 T CB 0.205 69.054 68.868 -0.031 0.000 0.962 324 T HN 0.168 nan 8.240 nan 0.000 0.506 325 R N 0.405 120.806 120.500 -0.165 0.000 2.287 325 R HA 0.359 4.700 4.340 0.001 0.000 0.197 325 R C 1.579 177.839 176.300 -0.067 0.000 0.900 325 R CA 0.391 56.358 56.100 -0.221 0.000 1.052 325 R CB 0.494 30.571 30.300 -0.372 0.000 1.117 325 R HN 0.517 nan 8.270 nan 0.000 0.568 326 E N 0.422 120.561 120.200 -0.101 0.000 2.176 326 E HA 0.183 4.534 4.350 0.001 0.000 0.194 326 E C 1.759 178.302 176.600 -0.095 0.000 0.947 326 E CA -0.426 55.917 56.400 -0.096 0.000 0.960 326 E CB 0.234 29.855 29.700 -0.131 0.000 1.002 326 E HN -0.066 nan 8.360 nan 0.000 0.479 327 R N 0.920 121.284 120.500 -0.227 0.000 2.241 327 R HA 0.010 4.351 4.340 0.001 0.000 0.224 327 R C 1.777 178.157 176.300 0.133 0.000 1.101 327 R CA 0.950 57.021 56.100 -0.049 0.000 0.995 327 R CB -0.193 30.088 30.300 -0.033 0.000 0.870 327 R HN 0.158 nan 8.270 nan 0.000 0.463 328 A N 0.815 123.724 122.820 0.148 0.000 1.887 328 A HA 0.070 4.391 4.320 0.001 0.000 0.210 328 A C 2.161 179.830 177.584 0.142 0.000 1.221 328 A CA 0.141 52.294 52.037 0.195 0.000 0.635 328 A CB -0.239 18.919 19.000 0.264 0.000 0.881 328 A HN 0.091 nan 8.150 nan 0.000 0.456 329 I N 0.382 121.033 120.570 0.135 0.000 2.248 329 I HA -0.345 3.825 4.170 0.001 0.000 0.248 329 I C 2.905 179.131 176.117 0.181 0.000 1.107 329 I CA 1.190 62.573 61.300 0.140 0.000 1.373 329 I CB -0.349 37.717 38.000 0.110 0.000 1.055 329 I HN 0.397 nan 8.210 nan 0.000 0.418 330 A N 0.445 123.333 122.820 0.113 0.000 1.855 330 A HA -0.235 4.086 4.320 0.001 0.000 0.215 330 A C 2.216 179.842 177.584 0.069 0.000 1.191 330 A CA 1.718 53.805 52.037 0.082 0.000 0.613 330 A CB -0.647 18.382 19.000 0.047 0.000 0.829 330 A HN 0.370 nan 8.150 nan 0.000 0.442 331 E N -0.265 119.975 120.200 0.067 0.000 2.097 331 E HA -0.187 4.164 4.350 0.001 0.000 0.196 331 E C 1.932 178.559 176.600 0.045 0.000 1.000 331 E CA 1.532 57.955 56.400 0.039 0.000 0.804 331 E CB -0.235 29.478 29.700 0.021 0.000 0.740 331 E HN 0.634 nan 8.360 nan 0.000 0.454 332 L N -0.172 121.114 121.223 0.105 0.000 2.179 332 L HA -0.049 4.292 4.340 0.001 0.000 0.208 332 L C 2.642 179.574 176.870 0.103 0.000 1.096 332 L CA 0.560 55.488 54.840 0.146 0.000 0.779 332 L CB -0.391 41.819 42.059 0.252 0.000 0.922 332 L HN 0.084 nan 8.230 nan 0.000 0.443 333 R N 0.566 121.145 120.500 0.132 0.000 2.094 333 R HA -0.215 4.126 4.340 0.001 0.000 0.239 333 R C 2.300 178.501 176.300 -0.165 0.000 1.137 333 R CA 1.919 57.959 56.100 -0.101 0.000 0.943 333 R CB -0.181 30.133 30.300 0.023 0.000 0.850 333 R HN 0.482 nan 8.270 nan 0.000 0.433 334 Q N -0.421 119.321 119.800 -0.098 0.000 2.170 334 Q HA -0.125 4.216 4.340 0.001 0.000 0.203 334 Q C 2.150 178.070 176.000 -0.133 0.000 0.976 334 Q CA 1.444 57.165 55.803 -0.137 0.000 0.858 334 Q CB 0.022 28.685 28.738 -0.126 0.000 0.907 334 Q HN 0.233 nan 8.270 nan 0.000 0.433 335 V N 1.546 121.409 119.914 -0.086 0.000 2.358 335 V HA -0.273 3.848 4.120 0.001 0.000 0.246 335 V C 2.372 178.413 176.094 -0.088 0.000 1.047 335 V CA 2.197 64.461 62.300 -0.061 0.000 1.035 335 V CB -0.487 31.324 31.823 -0.020 0.000 0.658 335 V HN 0.421 nan 8.190 nan 0.000 0.452 336 R N 0.304 120.718 120.500 -0.142 0.000 2.148 336 R HA -0.097 4.244 4.340 0.001 0.000 0.227 336 R C 1.940 178.136 176.300 -0.173 0.000 1.103 336 R CA 1.928 57.922 56.100 -0.176 0.000 0.983 336 R CB -1.412 28.711 30.300 -0.295 0.000 0.874 336 R HN 0.384 nan 8.270 nan 0.000 0.451 337 T N 1.548 115.988 114.554 -0.189 0.000 2.708 337 T HA -0.041 4.310 4.350 0.001 0.000 0.266 337 T C 1.708 176.317 174.700 -0.151 0.000 1.037 337 T CA 1.328 63.320 62.100 -0.179 0.000 1.146 337 T CB -0.211 68.536 68.868 -0.201 0.000 0.865 337 T HN 0.096 nan 8.240 nan 0.000 0.435 338 L N 0.632 121.778 121.223 -0.129 0.000 2.042 338 L HA -0.181 4.160 4.340 0.001 0.000 0.210 338 L C 2.985 179.828 176.870 -0.045 0.000 1.076 338 L CA 1.830 56.632 54.840 -0.063 0.000 0.749 338 L CB -0.987 41.065 42.059 -0.012 0.000 0.893 338 L HN 0.300 nan 8.230 nan 0.000 0.432 339 A N -0.071 122.715 122.820 -0.056 0.000 1.845 339 A HA -0.249 4.072 4.320 0.001 0.000 0.215 339 A C 2.288 179.830 177.584 -0.070 0.000 1.195 339 A CA 1.643 53.651 52.037 -0.048 0.000 0.616 339 A CB -0.596 18.374 19.000 -0.050 0.000 0.832 339 A HN 0.339 nan 8.150 nan 0.000 0.443 340 R N -0.812 119.631 120.500 -0.096 0.000 2.139 340 R HA -0.099 4.242 4.340 0.001 0.000 0.243 340 R C 2.101 178.313 176.300 -0.148 0.000 1.145 340 R CA 1.401 57.435 56.100 -0.110 0.000 0.976 340 R CB -0.485 29.742 30.300 -0.122 0.000 0.866 340 R HN 0.538 nan 8.270 nan 0.000 0.449 341 L N -0.339 120.780 121.223 -0.173 0.000 2.005 341 L HA -0.137 4.204 4.340 0.001 0.000 0.207 341 L C 2.592 179.271 176.870 -0.318 0.000 1.072 341 L CA 1.236 55.895 54.840 -0.301 0.000 0.744 341 L CB -0.491 41.446 42.059 -0.203 0.000 0.895 341 L HN 0.250 nan 8.230 nan 0.000 0.433 342 A N -1.225 121.532 122.820 -0.105 0.000 1.902 342 A HA -0.289 4.032 4.320 0.001 0.000 0.217 342 A C 2.435 180.016 177.584 -0.005 0.000 1.181 342 A CA 1.885 53.921 52.037 -0.001 0.000 0.623 342 A CB -1.323 17.695 19.000 0.030 0.000 0.818 342 A HN 0.607 nan 8.150 nan 0.000 0.443 343 C N -0.170 119.106 119.300 -0.039 0.000 2.446 343 C HA -0.066 4.394 4.460 0.001 0.000 0.277 343 C C 2.554 177.531 174.990 -0.021 0.000 1.275 343 C CA 1.405 60.408 59.018 -0.025 0.000 1.727 343 C CB -1.456 26.262 27.740 -0.036 0.000 2.010 343 C HN 0.648 nan 8.230 nan 0.000 0.486 344 N N 0.008 118.668 118.700 -0.066 0.000 2.300 344 N HA -0.058 4.683 4.740 0.001 0.000 0.179 344 N C 1.478 177.028 175.510 0.066 0.000 1.016 344 N CA 1.111 54.139 53.050 -0.037 0.000 0.876 344 N CB -0.737 37.697 38.487 -0.088 0.000 0.979 344 N HN 0.617 nan 8.380 nan 0.000 0.432 345 H N 0.345 119.435 119.070 0.033 0.000 2.423 345 H HA 0.063 4.620 4.556 0.001 0.000 0.297 345 H C 1.696 177.046 175.328 0.037 0.000 1.075 345 H CA 1.096 57.173 56.048 0.047 0.000 1.342 345 H CB -0.423 29.377 29.762 0.064 0.000 1.395 345 H HN 0.185 nan 8.280 nan 0.000 0.530 346 T N 0.291 114.931 114.554 0.144 0.000 2.698 346 T HA -0.074 4.277 4.350 0.001 0.000 0.260 346 T C 2.140 176.869 174.700 0.049 0.000 1.044 346 T CA 0.786 62.933 62.100 0.077 0.000 1.149 346 T CB 0.098 68.995 68.868 0.047 0.000 0.864 346 T HN 0.249 nan 8.240 nan 0.000 0.419 347 R N 0.988 121.510 120.500 0.036 0.000 2.133 347 R HA -0.202 4.139 4.340 0.001 0.000 0.245 347 R C 2.388 178.706 176.300 0.030 0.000 1.137 347 R CA 2.089 58.200 56.100 0.018 0.000 0.947 347 R CB -0.225 30.081 30.300 0.011 0.000 0.865 347 R HN 0.513 nan 8.270 nan 0.000 0.437 348 E N -0.727 119.509 120.200 0.059 0.000 2.110 348 E HA -0.186 4.165 4.350 0.001 0.000 0.193 348 E C 1.893 178.526 176.600 0.055 0.000 0.988 348 E CA 1.165 57.604 56.400 0.065 0.000 0.804 348 E CB -0.081 29.681 29.700 0.104 0.000 0.745 348 E HN 0.467 nan 8.360 nan 0.000 0.458 349 A N 0.656 123.511 122.820 0.059 0.000 1.873 349 A HA -0.139 4.182 4.320 0.001 0.000 0.215 349 A C 2.465 180.064 177.584 0.025 0.000 1.186 349 A CA 1.150 53.214 52.037 0.045 0.000 0.616 349 A CB -0.647 18.381 19.000 0.047 0.000 0.823 349 A HN 0.130 nan 8.150 nan 0.000 0.442 350 V N 0.038 119.958 119.914 0.010 0.000 2.490 350 V HA -0.250 3.870 4.120 0.001 0.000 0.250 350 V C 2.990 179.074 176.094 -0.017 0.000 1.061 350 V CA 1.808 64.097 62.300 -0.019 0.000 1.064 350 V CB -1.224 30.570 31.823 -0.049 0.000 0.670 350 V HN 0.614 nan 8.190 nan 0.000 0.461 351 A N 0.032 122.852 122.820 0.000 0.000 1.933 351 A HA -0.201 4.119 4.320 0.001 0.000 0.218 351 A C 2.402 180.001 177.584 0.024 0.000 1.175 351 A CA 1.682 53.725 52.037 0.011 0.000 0.628 351 A CB -0.401 18.609 19.000 0.018 0.000 0.814 351 A HN 0.529 nan 8.150 nan 0.000 0.444 352 R N -1.273 119.244 120.500 0.028 0.000 2.093 352 R HA -0.040 4.301 4.340 0.001 0.000 0.224 352 R C 2.429 178.751 176.300 0.036 0.000 1.101 352 R CA 1.299 57.420 56.100 0.035 0.000 0.979 352 R CB -0.214 30.111 30.300 0.041 0.000 0.877 352 R HN 0.491 nan 8.270 nan 0.000 0.441 353 R N 1.386 121.904 120.500 0.030 0.000 2.062 353 R HA -0.075 4.266 4.340 0.001 0.000 0.231 353 R C 1.990 178.315 176.300 0.042 0.000 1.136 353 R CA 1.379 57.498 56.100 0.030 0.000 0.948 353 R CB -0.555 29.756 30.300 0.018 0.000 0.845 353 R HN 0.021 nan 8.270 nan 0.000 0.430 354 I N 1.971 122.564 120.570 0.039 0.000 2.087 354 I HA -0.240 3.931 4.170 0.001 0.000 0.240 354 I C -0.616 175.573 176.117 0.119 0.000 1.054 354 I CA 1.973 63.327 61.300 0.090 0.000 1.311 354 I CB -2.129 35.921 38.000 0.082 0.000 1.024 354 I HN 0.247 nan 8.210 nan 0.000 0.402 355 P HA -0.109 nan 4.420 nan 0.000 0.222 355 P C 2.038 179.374 177.300 0.060 0.000 1.147 355 P CA 1.311 64.457 63.100 0.076 0.000 0.790 355 P CB -0.064 31.671 31.700 0.058 0.000 0.780 356 L N -1.446 119.810 121.223 0.056 0.000 2.418 356 L HA 0.022 4.363 4.340 0.001 0.000 0.218 356 L C 2.660 179.558 176.870 0.047 0.000 1.125 356 L CA 0.308 55.175 54.840 0.046 0.000 0.835 356 L CB -0.717 41.367 42.059 0.042 0.000 0.953 356 L HN -0.111 nan 8.230 nan 0.000 0.454 357 L N 0.042 121.302 121.223 0.061 0.000 2.042 357 L HA -0.230 4.110 4.340 0.001 0.000 0.210 357 L C 2.140 179.038 176.870 0.048 0.000 1.076 357 L CA 1.572 56.449 54.840 0.061 0.000 0.749 357 L CB -0.239 41.876 42.059 0.094 0.000 0.893 357 L HN 0.303 nan 8.230 nan 0.000 0.432 358 E N -1.298 118.930 120.200 0.045 0.000 2.481 358 E HA -0.040 4.311 4.350 0.001 0.000 0.195 358 E C 0.622 177.235 176.600 0.022 0.000 1.047 358 E CA -0.031 56.386 56.400 0.028 0.000 0.867 358 E CB 0.243 29.954 29.700 0.019 0.000 0.858 358 E HN 0.395 nan 8.360 nan 0.000 0.513 359 Q N 0.693 120.508 119.800 0.026 0.000 2.308 359 Q HA 0.328 4.668 4.340 0.001 0.000 0.207 359 Q C -0.585 175.426 176.000 0.019 0.000 1.035 359 Q CA 0.110 55.926 55.803 0.021 0.000 1.008 359 Q CB 1.169 29.921 28.738 0.023 0.000 1.168 359 Q HN -0.009 nan 8.270 nan 0.000 0.565 360 D N -1.669 118.741 120.400 0.016 0.000 2.367 360 D HA 0.068 4.709 4.640 0.001 0.000 0.176 360 D C -1.235 175.072 176.300 0.011 0.000 0.959 360 D CA -0.097 53.911 54.000 0.014 0.000 0.952 360 D CB 0.153 40.961 40.800 0.013 0.000 4.022 360 D HN 0.218 nan 8.370 nan 0.000 0.476 361 V N 3.339 123.259 119.914 0.011 0.000 3.213 361 V HA 0.285 4.405 4.120 0.001 0.000 0.260 361 V C 0.784 176.884 176.094 0.010 0.000 1.663 361 V CA 0.927 63.234 62.300 0.011 0.000 1.026 361 V CB -0.111 31.718 31.823 0.009 0.000 0.874 361 V HN 0.603 nan 8.190 nan 0.000 0.410 362 N N 0.782 119.487 118.700 0.009 0.000 2.381 362 N HA -0.159 4.582 4.740 0.001 0.000 0.182 362 N C 1.544 177.060 175.510 0.011 0.000 1.025 362 N CA 1.310 54.365 53.050 0.009 0.000 0.888 362 N CB 0.105 38.596 38.487 0.007 0.000 0.965 362 N HN 0.561 nan 8.380 nan 0.000 0.438 363 E N 1.291 121.498 120.200 0.012 0.000 2.112 363 E HA 0.013 4.364 4.350 0.001 0.000 0.190 363 E C 1.763 178.374 176.600 0.018 0.000 0.979 363 E CA 0.536 56.944 56.400 0.014 0.000 0.814 363 E CB -0.137 29.571 29.700 0.014 0.000 0.762 363 E HN 0.277 nan 8.360 nan 0.000 0.460 364 L N 0.358 121.593 121.223 0.019 0.000 1.994 364 L HA -0.179 4.162 4.340 0.001 0.000 0.208 364 L C 2.321 179.204 176.870 0.023 0.000 1.071 364 L CA 1.547 56.400 54.840 0.022 0.000 0.745 364 L CB -0.240 41.831 42.059 0.020 0.000 0.892 364 L HN 0.137 nan 8.230 nan 0.000 0.431 365 K N -0.257 120.153 120.400 0.017 0.000 2.074 365 K HA -0.287 4.034 4.320 0.001 0.000 0.209 365 K C 2.139 178.750 176.600 0.019 0.000 1.048 365 K CA 1.768 58.064 56.287 0.014 0.000 0.926 365 K CB -0.139 32.366 32.500 0.009 0.000 0.713 365 K HN 0.231 nan 8.250 nan 0.000 0.444 366 K N 1.169 121.580 120.400 0.018 0.000 2.026 366 K HA -0.182 4.138 4.320 0.001 0.000 0.208 366 K C 2.136 178.751 176.600 0.025 0.000 1.048 366 K CA 1.382 57.680 56.287 0.019 0.000 0.929 366 K CB 0.027 32.536 32.500 0.015 0.000 0.713 366 K HN 0.001 nan 8.250 nan 0.000 0.439 367 R N 0.531 121.048 120.500 0.028 0.000 2.080 367 R HA -0.085 4.256 4.340 0.001 0.000 0.236 367 R C 2.395 178.726 176.300 0.053 0.000 1.137 367 R CA 1.981 58.102 56.100 0.035 0.000 0.943 367 R CB -0.387 29.934 30.300 0.034 0.000 0.846 367 R HN 0.251 nan 8.270 nan 0.000 0.431 368 I N 0.950 121.556 120.570 0.060 0.000 2.151 368 I HA -0.325 3.846 4.170 0.001 0.000 0.243 368 I C 1.564 177.736 176.117 0.091 0.000 1.080 368 I CA 1.370 62.723 61.300 0.088 0.000 1.339 368 I CB -0.396 37.637 38.000 0.055 0.000 1.039 368 I HN 0.172 nan 8.210 nan 0.000 0.409 369 D N 0.459 120.892 120.400 0.055 0.000 2.182 369 D HA -0.158 4.483 4.640 0.001 0.000 0.201 369 D C 2.347 178.679 176.300 0.053 0.000 0.986 369 D CA 1.759 55.787 54.000 0.048 0.000 0.847 369 D CB -0.253 40.564 40.800 0.028 0.000 0.942 369 D HN 0.385 nan 8.370 nan 0.000 0.467 370 S N -0.345 115.382 115.700 0.046 0.000 2.474 370 S HA -0.066 4.405 4.470 0.001 0.000 0.235 370 S C 1.761 176.381 174.600 0.035 0.000 0.997 370 S CA 0.488 58.708 58.200 0.033 0.000 0.949 370 S CB -0.041 63.173 63.200 0.022 0.000 0.766 370 S HN 0.082 nan 8.310 nan 0.000 0.517 371 V N 0.837 120.792 119.914 0.068 0.000 3.660 371 V HA 0.221 4.342 4.120 0.001 0.000 0.276 371 V C 2.339 178.511 176.094 0.130 0.000 1.317 371 V CA 0.669 63.000 62.300 0.052 0.000 1.097 371 V CB -0.011 31.845 31.823 0.054 0.000 0.863 371 V HN 0.348 nan 8.190 nan 0.000 0.438 372 E N 1.967 122.270 120.200 0.172 0.000 2.085 372 E HA -0.152 4.199 4.350 0.001 0.000 0.194 372 E C -0.263 176.411 176.600 0.123 0.000 0.994 372 E CA 1.921 58.437 56.400 0.194 0.000 0.801 372 E CB -1.088 28.677 29.700 0.108 0.000 0.743 372 E HN 0.450 nan 8.360 nan 0.000 0.453 373 P HA -0.158 nan 4.420 nan 0.000 0.220 373 P C 0.442 177.746 177.300 0.007 0.000 1.144 373 P CA 1.478 64.595 63.100 0.028 0.000 0.800 373 P CB 0.052 31.758 31.700 0.009 0.000 0.772 374 E N -1.617 118.565 120.200 -0.031 0.000 2.251 374 E HA 0.054 4.405 4.350 0.001 0.000 0.194 374 E C 1.805 178.308 176.600 -0.163 0.000 0.964 374 E CA 0.198 56.521 56.400 -0.128 0.000 0.868 374 E CB -0.477 29.087 29.700 -0.226 0.000 0.828 374 E HN 0.173 nan 8.360 nan 0.000 0.481 375 F N 2.015 121.936 119.950 -0.048 0.000 2.161 375 F HA -0.188 4.340 4.527 0.001 0.000 0.300 375 F C 1.967 177.744 175.800 -0.039 0.000 1.089 375 F CA 0.746 58.716 58.000 -0.050 0.000 1.282 375 F CB -0.117 38.862 39.000 -0.035 0.000 1.010 375 F HN 0.022 nan 8.300 nan 0.000 0.485 376 N N 0.485 119.273 118.700 0.146 0.000 2.223 376 N HA -0.146 4.595 4.740 0.001 0.000 0.185 376 N C 1.541 177.075 175.510 0.041 0.000 1.016 376 N CA 1.144 54.239 53.050 0.076 0.000 0.863 376 N CB -0.343 38.178 38.487 0.056 0.000 0.983 376 N HN 0.349 nan 8.380 nan 0.000 0.429 377 K N 0.493 120.900 120.400 0.012 0.000 2.103 377 K HA 0.078 4.399 4.320 0.001 0.000 0.204 377 K C 2.073 178.675 176.600 0.002 0.000 1.052 377 K CA 0.513 56.800 56.287 -0.000 0.000 0.945 377 K CB -0.113 32.369 32.500 -0.029 0.000 0.722 377 K HN 0.117 nan 8.250 nan 0.000 0.443 378 L N 0.764 121.963 121.223 -0.041 0.000 2.017 378 L HA -0.198 4.143 4.340 0.001 0.000 0.208 378 L C 2.478 179.389 176.870 0.068 0.000 1.073 378 L CA 1.401 56.224 54.840 -0.028 0.000 0.745 378 L CB -1.046 40.946 42.059 -0.112 0.000 0.894 378 L HN 0.188 nan 8.230 nan 0.000 0.432 379 T N 0.014 114.603 114.554 0.058 0.000 2.635 379 T HA -0.203 4.148 4.350 0.001 0.000 0.267 379 T C 1.840 176.547 174.700 0.011 0.000 1.040 379 T CA 1.644 63.762 62.100 0.031 0.000 1.156 379 T CB -0.765 68.123 68.868 0.034 0.000 0.863 379 T HN 0.604 nan 8.240 nan 0.000 0.430 380 G N 0.820 109.635 108.800 0.025 0.000 2.475 380 G HA2 -0.171 3.790 3.960 0.001 0.000 0.220 380 G HA3 -0.171 3.790 3.960 0.001 0.000 0.220 380 G C 1.526 176.444 174.900 0.029 0.000 1.125 380 G CA 0.601 45.718 45.100 0.028 0.000 0.755 380 G HN 0.501 nan 8.290 nan 0.000 0.565 381 I N -0.252 120.346 120.570 0.047 0.000 2.193 381 I HA -0.114 4.056 4.170 0.001 0.000 0.240 381 I C 2.869 178.901 176.117 -0.142 0.000 1.084 381 I CA 0.901 62.215 61.300 0.023 0.000 1.365 381 I CB -0.313 37.809 38.000 0.204 0.000 1.064 381 I HN 0.087 nan 8.210 nan 0.000 0.410 382 R N 1.369 121.792 120.500 -0.128 0.000 2.112 382 R HA -0.259 4.081 4.340 0.001 0.000 0.242 382 R C 1.694 177.907 176.300 -0.144 0.000 1.137 382 R CA 2.555 58.540 56.100 -0.192 0.000 0.944 382 R CB -0.685 29.514 30.300 -0.169 0.000 0.857 382 R HN 0.352 nan 8.270 nan 0.000 0.435 383 D N 0.207 120.551 120.400 -0.092 0.000 2.178 383 D HA -0.118 4.523 4.640 0.001 0.000 0.202 383 D C 1.896 178.158 176.300 -0.064 0.000 0.974 383 D CA 0.875 54.832 54.000 -0.071 0.000 0.841 383 D CB -0.079 40.697 40.800 -0.038 0.000 0.953 383 D HN 0.311 nan 8.370 nan 0.000 0.478 384 E N -0.148 120.015 120.200 -0.063 0.000 2.112 384 E HA -0.072 4.279 4.350 0.001 0.000 0.190 384 E C 1.840 178.404 176.600 -0.060 0.000 0.979 384 E CA 0.131 56.521 56.400 -0.017 0.000 0.814 384 E CB -0.335 29.421 29.700 0.093 0.000 0.762 384 E HN 0.258 nan 8.360 nan 0.000 0.460 385 F N 2.221 121.860 119.950 -0.517 0.000 2.206 385 F HA -0.061 4.467 4.527 0.001 0.000 0.298 385 F C 2.341 178.018 175.800 -0.205 0.000 1.090 385 F CA 1.169 58.860 58.000 -0.516 0.000 1.323 385 F CB -0.268 38.306 39.000 -0.710 0.000 1.028 385 F HN -0.006 nan 8.300 nan 0.000 0.492 386 Q N 0.571 120.234 119.800 -0.228 0.000 2.045 386 Q HA -0.293 4.048 4.340 0.001 0.000 0.206 386 Q C 2.394 178.284 176.000 -0.183 0.000 0.991 386 Q CA 2.167 57.820 55.803 -0.250 0.000 0.851 386 Q CB -0.339 28.299 28.738 -0.167 0.000 0.911 386 Q HN 0.391 nan 8.270 nan 0.000 0.418 387 K N 0.180 120.518 120.400 -0.104 0.000 2.209 387 K HA -0.183 4.138 4.320 0.001 0.000 0.204 387 K C 1.887 178.454 176.600 -0.054 0.000 1.048 387 K CA 1.235 57.485 56.287 -0.062 0.000 0.940 387 K CB 0.018 32.504 32.500 -0.023 0.000 0.729 387 K HN 0.245 nan 8.250 nan 0.000 0.451 388 E N 0.527 120.708 120.200 -0.031 0.000 2.076 388 E HA -0.123 4.227 4.350 0.001 0.000 0.190 388 E C 1.996 178.538 176.600 -0.097 0.000 0.979 388 E CA 0.685 57.091 56.400 0.010 0.000 0.807 388 E CB 0.022 29.846 29.700 0.208 0.000 0.761 388 E HN 0.292 nan 8.360 nan 0.000 0.454 389 I N 1.087 121.531 120.570 -0.210 0.000 2.163 389 I HA -0.306 3.865 4.170 0.001 0.000 0.243 389 I C 2.495 178.495 176.117 -0.195 0.000 1.085 389 I CA 1.051 62.215 61.300 -0.227 0.000 1.347 389 I CB -0.203 37.614 38.000 -0.304 0.000 1.044 389 I HN 0.197 nan 8.210 nan 0.000 0.408 390 I N 0.562 121.036 120.570 -0.160 0.000 2.252 390 I HA -0.318 3.853 4.170 0.001 0.000 0.245 390 I C 2.250 178.272 176.117 -0.158 0.000 1.102 390 I CA 1.645 62.866 61.300 -0.132 0.000 1.385 390 I CB -0.395 37.550 38.000 -0.091 0.000 1.064 390 I HN 0.301 nan 8.210 nan 0.000 0.414 391 N N -0.090 118.526 118.700 -0.140 0.000 2.137 391 N HA -0.196 4.545 4.740 0.001 0.000 0.190 391 N C 1.652 177.033 175.510 -0.215 0.000 1.017 391 N CA 1.993 54.962 53.050 -0.134 0.000 0.859 391 N CB 0.091 38.525 38.487 -0.088 0.000 1.002 391 N HN 0.209 nan 8.380 nan 0.000 0.428 392 T N 0.007 114.376 114.554 -0.309 0.000 2.777 392 T HA -0.140 4.211 4.350 0.001 0.000 0.266 392 T C 1.676 175.911 174.700 -0.775 0.000 1.040 392 T CA 1.493 63.279 62.100 -0.524 0.000 1.141 392 T CB -0.221 68.281 68.868 -0.611 0.000 0.868 392 T HN 0.460 nan 8.240 nan 0.000 0.444 393 R N 1.517 121.594 120.500 -0.705 0.000 2.285 393 R HA 0.007 4.348 4.340 0.001 0.000 0.213 393 R C 1.221 177.315 176.300 -0.342 0.000 1.068 393 R CA 1.428 57.189 56.100 -0.565 0.000 1.004 393 R CB -0.307 29.897 30.300 -0.160 0.000 0.873 393 R HN 0.213 nan 8.270 nan 0.000 0.467 394 D N -0.380 119.856 120.400 -0.273 0.000 2.262 394 D HA 0.010 4.651 4.640 0.001 0.000 0.212 394 D C 1.336 177.545 176.300 -0.152 0.000 0.964 394 D CA 1.336 55.240 54.000 -0.161 0.000 0.875 394 D CB -0.082 40.672 40.800 -0.077 0.000 0.996 394 D HN 0.190 nan 8.370 nan 0.000 0.497 395 T N 0.674 115.108 114.554 -0.200 0.000 2.737 395 T HA -0.136 4.215 4.350 0.001 0.000 0.265 395 T C 1.875 176.475 174.700 -0.167 0.000 1.038 395 T CA 1.080 63.087 62.100 -0.155 0.000 1.144 395 T CB -0.003 68.764 68.868 -0.168 0.000 0.866 395 T HN -0.048 nan 8.240 nan 0.000 0.434 396 Q N 0.933 120.564 119.800 -0.281 0.000 2.083 396 Q HA 0.220 4.561 4.340 0.001 0.000 0.198 396 Q C 2.393 178.309 176.000 -0.139 0.000 0.969 396 Q CA 1.461 57.128 55.803 -0.226 0.000 0.838 396 Q CB -0.698 27.825 28.738 -0.360 0.000 0.900 396 Q HN 0.505 nan 8.270 nan 0.000 0.436 397 A N 0.352 123.031 122.820 -0.235 0.000 1.972 397 A HA -0.205 4.116 4.320 0.001 0.000 0.219 397 A C 2.054 179.520 177.584 -0.196 0.000 1.169 397 A CA 1.646 53.460 52.037 -0.371 0.000 0.635 397 A CB -0.493 17.983 19.000 -0.873 0.000 0.810 397 A HN 0.332 nan 8.150 nan 0.000 0.446 398 R N -0.869 119.617 120.500 -0.023 0.000 2.057 398 R HA -0.085 4.255 4.340 0.001 0.000 0.229 398 R C 2.140 178.522 176.300 0.136 0.000 1.136 398 R CA 1.924 58.130 56.100 0.178 0.000 0.952 398 R CB -0.723 29.666 30.300 0.150 0.000 0.848 398 R HN 0.407 nan 8.270 nan 0.000 0.430 399 T N 1.435 116.032 114.554 0.071 0.000 2.665 399 T HA -0.150 4.201 4.350 0.001 0.000 0.268 399 T C 1.765 176.557 174.700 0.154 0.000 1.035 399 T CA 1.643 63.794 62.100 0.085 0.000 1.151 399 T CB -0.168 68.718 68.868 0.029 0.000 0.862 399 T HN 0.136 nan 8.240 nan 0.000 0.438 400 I N 1.169 121.832 120.570 0.155 0.000 2.546 400 I HA -0.073 4.097 4.170 0.001 0.000 0.255 400 I C 2.552 178.923 176.117 0.422 0.000 1.163 400 I CA 0.872 62.341 61.300 0.281 0.000 1.457 400 I CB -0.461 37.653 38.000 0.189 0.000 1.092 400 I HN 0.109 nan 8.210 nan 0.000 0.434 401 S N -0.079 115.800 115.700 0.298 0.000 2.355 401 S HA -0.157 4.314 4.470 0.001 0.000 0.222 401 S C 1.952 176.731 174.600 0.299 0.000 1.031 401 S CA 1.151 59.529 58.200 0.296 0.000 0.993 401 S CB -0.254 63.126 63.200 0.301 0.000 0.859 401 S HN 0.480 nan 8.310 nan 0.000 0.453 402 E N 0.886 121.232 120.200 0.244 0.000 2.077 402 E HA -0.114 4.237 4.350 0.001 0.000 0.193 402 E C 2.261 179.000 176.600 0.232 0.000 0.989 402 E CA 1.032 57.552 56.400 0.200 0.000 0.800 402 E CB -0.240 29.551 29.700 0.151 0.000 0.746 402 E HN 0.399 nan 8.360 nan 0.000 0.452 403 S N 0.200 116.086 115.700 0.310 0.000 2.387 403 S HA -0.202 4.269 4.470 0.001 0.000 0.230 403 S C 1.709 176.583 174.600 0.456 0.000 1.035 403 S CA 1.062 59.514 58.200 0.421 0.000 1.014 403 S CB -0.281 63.225 63.200 0.510 0.000 0.836 403 S HN 0.301 nan 8.310 nan 0.000 0.466 404 F N 2.173 122.207 119.950 0.139 0.000 2.060 404 F HA 0.052 4.580 4.527 0.001 0.000 0.295 404 F C 2.350 178.038 175.800 -0.186 0.000 1.120 404 F CA 1.646 59.389 58.000 -0.429 0.000 1.205 404 F CB -0.518 38.182 39.000 -0.501 0.000 0.986 404 F HN 0.101 nan 8.300 nan 0.000 0.470 405 R N -0.377 120.149 120.500 0.042 0.000 2.112 405 R HA -0.226 4.114 4.340 0.001 0.000 0.242 405 R C 2.556 178.818 176.300 -0.063 0.000 1.137 405 R CA 1.786 57.871 56.100 -0.025 0.000 0.944 405 R CB -1.200 29.151 30.300 0.085 0.000 0.857 405 R HN 0.300 nan 8.270 nan 0.000 0.435 406 S N -0.215 115.503 115.700 0.030 0.000 2.383 406 S HA -0.206 4.264 4.470 0.001 0.000 0.229 406 S C 1.748 176.371 174.600 0.039 0.000 1.030 406 S CA 1.209 59.441 58.200 0.053 0.000 1.002 406 S CB -0.253 63.018 63.200 0.118 0.000 0.829 406 S HN 0.420 nan 8.310 nan 0.000 0.467 407 Y N 1.410 121.645 120.300 -0.109 0.000 2.133 407 Y HA -0.076 4.475 4.550 0.001 0.000 0.287 407 Y C 2.276 178.038 175.900 -0.230 0.000 1.134 407 Y CA 1.762 59.782 58.100 -0.133 0.000 1.133 407 Y CB -0.375 37.980 38.460 -0.174 0.000 0.987 407 Y HN 0.097 nan 8.280 nan 0.000 0.502 408 V N 0.593 120.332 119.914 -0.292 0.000 2.407 408 V HA -0.335 3.786 4.120 0.001 0.000 0.248 408 V C 2.298 178.269 176.094 -0.205 0.000 1.055 408 V CA 1.968 64.064 62.300 -0.340 0.000 1.049 408 V CB -0.728 30.759 31.823 -0.560 0.000 0.662 408 V HN 0.441 nan 8.190 nan 0.000 0.455 409 L N -0.246 120.885 121.223 -0.154 0.000 2.109 409 L HA -0.104 4.237 4.340 0.001 0.000 0.207 409 L C 1.859 178.670 176.870 -0.099 0.000 1.086 409 L CA 1.453 56.235 54.840 -0.098 0.000 0.760 409 L CB -0.617 41.408 42.059 -0.057 0.000 0.910 409 L HN 0.407 nan 8.230 nan 0.000 0.437 410 N N 0.130 118.756 118.700 -0.123 0.000 2.485 410 N HA 0.014 4.755 4.740 0.001 0.000 0.199 410 N C 1.560 176.978 175.510 -0.153 0.000 1.236 410 N CA -0.100 52.877 53.050 -0.121 0.000 0.852 410 N CB 0.262 38.683 38.487 -0.111 0.000 1.018 410 N HN 0.375 nan 8.380 nan 0.000 0.457 411 L N -0.317 120.818 121.223 -0.146 0.000 2.095 411 L HA -0.007 4.334 4.340 0.001 0.000 0.204 411 L C 2.558 179.447 176.870 0.030 0.000 1.080 411 L CA 0.709 55.510 54.840 -0.066 0.000 0.759 411 L CB -0.611 41.437 42.059 -0.019 0.000 0.914 411 L HN 0.228 nan 8.230 nan 0.000 0.439 412 G N 0.108 108.881 108.800 -0.045 0.000 2.517 412 G HA2 -0.304 3.656 3.960 0.001 0.000 0.222 412 G HA3 -0.304 3.656 3.960 0.001 0.000 0.222 412 G C 1.131 176.042 174.900 0.019 0.000 1.109 412 G CA 1.218 46.279 45.100 -0.066 0.000 0.746 412 G HN 0.436 nan 8.290 nan 0.000 0.576 413 N N 0.184 118.898 118.700 0.024 0.000 2.073 413 N HA -0.020 4.721 4.740 0.001 0.000 0.190 413 N C 0.882 176.448 175.510 0.093 0.000 1.075 413 N CA 1.520 54.595 53.050 0.041 0.000 0.866 413 N CB -0.485 38.008 38.487 0.011 0.000 1.051 413 N HN 0.099 nan 8.380 nan 0.000 0.437 414 T N 0.320 114.927 114.554 0.087 0.000 3.859 414 T HA 0.066 4.417 4.350 0.001 0.000 0.251 414 T C 0.046 174.878 174.700 0.219 0.000 1.079 414 T CA 0.042 62.212 62.100 0.115 0.000 1.151 414 T CB -0.636 68.281 68.868 0.082 0.000 1.173 414 T HN 0.193 nan 8.240 nan 0.000 0.885 415 F N 1.584 121.569 119.950 0.059 0.000 2.479 415 F HA 0.257 4.785 4.527 0.001 0.000 0.280 415 F C 2.028 177.869 175.800 0.069 0.000 0.982 415 F CA 0.261 58.294 58.000 0.054 0.000 1.276 415 F CB 0.075 39.044 39.000 -0.051 0.000 1.137 415 F HN 0.270 nan 8.300 nan 0.000 0.660 416 E N 0.554 120.807 120.200 0.088 0.000 2.045 416 E HA -0.389 3.962 4.350 0.001 0.000 0.212 416 E C 1.838 178.405 176.600 -0.056 0.000 1.039 416 E CA 2.124 58.528 56.400 0.006 0.000 0.860 416 E CB -0.773 28.968 29.700 0.067 0.000 0.776 416 E HN 0.412 nan 8.360 nan 0.000 0.467 417 N N 0.650 119.342 118.700 -0.013 0.000 2.091 417 N HA -0.196 4.545 4.740 0.001 0.000 0.193 417 N C 1.276 176.760 175.510 -0.044 0.000 1.021 417 N CA 2.156 55.191 53.050 -0.024 0.000 0.862 417 N CB 0.014 38.504 38.487 0.003 0.000 1.018 417 N HN 0.102 nan 8.380 nan 0.000 0.429 418 D N -1.093 119.304 120.400 -0.005 0.000 2.162 418 D HA -0.053 4.588 4.640 0.001 0.000 0.205 418 D C 1.370 177.733 176.300 0.105 0.000 0.964 418 D CA 0.569 54.626 54.000 0.094 0.000 0.847 418 D CB -0.484 40.486 40.800 0.283 0.000 0.988 418 D HN 0.281 nan 8.370 nan 0.000 0.480 419 F N 1.033 120.765 119.950 -0.364 0.000 2.234 419 F HA -0.025 4.503 4.527 0.002 0.000 0.296 419 F C 1.853 177.512 175.800 -0.235 0.000 1.089 419 F CA 0.422 58.148 58.000 -0.458 0.000 1.343 419 F CB -0.169 37.966 39.000 -1.441 0.000 1.040 419 F HN -0.162 nan 8.300 nan 0.000 0.498 420 L N 1.217 122.279 121.223 -0.268 0.000 2.137 420 L HA -0.225 4.116 4.340 0.001 0.000 0.213 420 L C 2.335 179.011 176.870 -0.324 0.000 1.085 420 L CA 1.874 56.554 54.840 -0.266 0.000 0.760 420 L CB -1.180 40.792 42.059 -0.145 0.000 0.893 420 L HN 0.275 nan 8.230 nan 0.000 0.434 421 R N -3.046 117.214 120.500 -0.400 0.000 2.323 421 R HA -0.071 4.269 4.340 0.001 0.000 0.198 421 R C 1.365 177.329 176.300 -0.561 0.000 0.988 421 R CA 0.849 56.675 56.100 -0.456 0.000 1.041 421 R CB -0.455 29.559 30.300 -0.477 0.000 0.926 421 R HN 0.296 nan 8.270 nan 0.000 0.476 422 Y N 0.468 120.538 120.300 -0.383 0.000 2.558 422 Y HA 0.159 4.709 4.550 0.001 0.000 0.273 422 Y C 0.870 176.476 175.900 -0.490 0.000 1.100 422 Y CA -0.672 57.188 58.100 -0.400 0.000 1.276 422 Y CB -0.076 38.113 38.460 -0.452 0.000 1.196 422 Y HN 0.002 nan 8.280 nan 0.000 0.527 423 Q N 3.398 122.851 119.800 -0.579 0.000 2.398 423 Q HA -0.017 4.324 4.340 0.001 0.000 0.329 423 Q C -2.386 173.515 176.000 -0.164 0.000 1.079 423 Q CA -1.305 54.199 55.803 -0.497 0.000 1.041 423 Q CB 0.403 28.893 28.738 -0.412 0.000 1.084 423 Q HN 0.061 nan 8.270 nan 0.000 0.386 424 P HA 0.009 nan 4.420 nan 0.000 0.271 424 P C -0.870 176.528 177.300 0.163 0.000 1.216 424 P CA -0.025 63.117 63.100 0.071 0.000 0.776 424 P CB 0.632 32.379 31.700 0.078 0.000 0.881 425 E N 1.638 121.912 120.200 0.123 0.000 2.390 425 E HA 0.279 4.630 4.350 0.001 0.000 0.261 425 E C -0.707 175.983 176.600 0.150 0.000 1.076 425 E CA -0.325 56.136 56.400 0.101 0.000 0.905 425 E CB 0.374 30.106 29.700 0.053 0.000 0.984 425 E HN 0.366 nan 8.360 nan 0.000 0.427 426 L N 5.284 126.543 121.223 0.060 0.000 2.534 426 L HA 0.234 4.575 4.340 0.001 0.000 0.259 426 L C -0.524 176.309 176.870 -0.062 0.000 1.108 426 L CA -0.552 54.276 54.840 -0.018 0.000 0.905 426 L CB 0.441 42.400 42.059 -0.167 0.000 1.138 426 L HN 0.576 nan 8.230 nan 0.000 0.475 427 N N 1.958 120.635 118.700 -0.039 0.000 2.285 427 N HA 0.048 4.788 4.740 0.001 0.000 0.262 427 N C 0.804 176.238 175.510 -0.126 0.000 1.299 427 N CA -0.760 52.248 53.050 -0.071 0.000 0.930 427 N CB 0.910 39.370 38.487 -0.044 0.000 1.157 427 N HN 0.263 nan 8.380 nan 0.000 0.532 428 L N 0.079 121.181 121.223 -0.202 0.000 1.958 428 L HA -0.167 4.174 4.340 0.001 0.000 0.238 428 L C 1.575 178.208 176.870 -0.396 0.000 1.092 428 L CA 1.741 56.330 54.840 -0.419 0.000 0.826 428 L CB -1.384 40.253 42.059 -0.703 0.000 0.909 428 L HN 0.540 nan 8.230 nan 0.000 0.436 429 F N 0.231 120.138 119.950 -0.071 0.000 2.754 429 F HA 0.002 4.530 4.527 0.002 0.000 0.303 429 F C 1.872 177.611 175.800 -0.102 0.000 1.196 429 F CA 0.005 57.928 58.000 -0.129 0.000 1.416 429 F CB -1.068 37.873 39.000 -0.099 0.000 1.092 429 F HN 0.271 nan 8.300 nan 0.000 0.541 430 D N 0.247 120.672 120.400 0.040 0.000 2.092 430 D HA -0.246 4.395 4.640 0.001 0.000 0.193 430 D C 1.834 178.159 176.300 0.042 0.000 0.994 430 D CA 1.471 55.496 54.000 0.043 0.000 0.828 430 D CB -0.577 40.240 40.800 0.029 0.000 0.963 430 D HN 0.305 nan 8.370 nan 0.000 0.450 431 F N 0.131 119.991 119.950 -0.149 0.000 2.773 431 F HA -0.043 4.485 4.527 0.002 0.000 0.299 431 F C 1.437 177.170 175.800 -0.113 0.000 1.204 431 F CA -0.054 57.858 58.000 -0.148 0.000 1.454 431 F CB 0.308 39.188 39.000 -0.200 0.000 1.117 431 F HN -0.086 nan 8.300 nan 0.000 0.590 432 L N -1.291 119.907 121.223 -0.041 0.000 2.316 432 L HA 0.099 4.440 4.340 0.001 0.000 0.207 432 L C 1.340 178.163 176.870 -0.078 0.000 1.070 432 L CA 0.763 55.556 54.840 -0.078 0.000 0.820 432 L CB -0.753 41.251 42.059 -0.092 0.000 0.992 432 L HN -0.059 nan 8.230 nan 0.000 0.466 433 S N -1.107 114.557 115.700 -0.061 0.000 2.422 433 S HA 0.032 4.503 4.470 0.001 0.000 0.283 433 S C 1.578 176.129 174.600 -0.082 0.000 1.163 433 S CA 0.186 58.355 58.200 -0.053 0.000 1.054 433 S CB 0.629 63.817 63.200 -0.020 0.000 0.967 433 S HN 0.241 nan 8.310 nan 0.000 0.499 434 S N 3.986 119.639 115.700 -0.078 0.000 2.423 434 S HA -0.092 4.379 4.470 0.001 0.000 0.238 434 S C 1.757 176.324 174.600 -0.055 0.000 1.028 434 S CA 1.878 60.028 58.200 -0.083 0.000 1.000 434 S CB -0.753 62.413 63.200 -0.056 0.000 0.797 434 S HN 0.948 nan 8.310 nan 0.000 0.487 435 G N 0.122 108.904 108.800 -0.030 0.000 2.408 435 G HA2 -0.046 3.915 3.960 0.001 0.000 0.213 435 G HA3 -0.046 3.915 3.960 0.001 0.000 0.213 435 G C 1.468 176.375 174.900 0.013 0.000 1.177 435 G CA 0.421 45.518 45.100 -0.005 0.000 0.802 435 G HN 0.485 nan 8.290 nan 0.000 0.533 436 K N -0.027 120.380 120.400 0.011 0.000 2.148 436 K HA 0.064 4.385 4.320 0.001 0.000 0.204 436 K C 2.492 179.135 176.600 0.071 0.000 1.050 436 K CA 0.418 56.733 56.287 0.047 0.000 0.942 436 K CB -0.063 32.462 32.500 0.042 0.000 0.724 436 K HN 0.130 nan 8.250 nan 0.000 0.446 437 R N 0.521 121.001 120.500 -0.033 0.000 2.148 437 R HA -0.160 4.181 4.340 0.001 0.000 0.227 437 R C 1.831 178.167 176.300 0.061 0.000 1.103 437 R CA 1.534 57.564 56.100 -0.116 0.000 0.983 437 R CB 0.112 30.152 30.300 -0.433 0.000 0.874 437 R HN 0.094 nan 8.270 nan 0.000 0.451 438 E N 0.307 120.532 120.200 0.043 0.000 2.033 438 E HA -0.041 4.310 4.350 0.001 0.000 0.189 438 E C 1.701 178.358 176.600 0.095 0.000 0.979 438 E CA 1.504 57.943 56.400 0.064 0.000 0.802 438 E CB -0.216 29.503 29.700 0.033 0.000 0.763 438 E HN 0.318 nan 8.360 nan 0.000 0.449 439 A N 0.473 123.352 122.820 0.099 0.000 1.892 439 A HA -0.202 4.119 4.320 0.001 0.000 0.218 439 A C 2.288 179.955 177.584 0.139 0.000 1.188 439 A CA 1.827 53.925 52.037 0.102 0.000 0.631 439 A CB -1.218 17.840 19.000 0.098 0.000 0.822 439 A HN 0.522 nan 8.150 nan 0.000 0.447 440 F N 1.179 121.174 119.950 0.077 0.000 2.095 440 F HA -0.207 4.321 4.527 0.001 0.000 0.298 440 F C 2.101 177.987 175.800 0.143 0.000 1.104 440 F CA 2.123 60.195 58.000 0.120 0.000 1.232 440 F CB -0.374 38.731 39.000 0.175 0.000 0.987 440 F HN 0.217 nan 8.300 nan 0.000 0.475 441 N N 0.769 119.496 118.700 0.046 0.000 2.149 441 N HA -0.178 4.563 4.740 0.001 0.000 0.188 441 N C 1.979 177.442 175.510 -0.079 0.000 1.019 441 N CA 1.324 54.345 53.050 -0.048 0.000 0.857 441 N CB -0.443 38.129 38.487 0.142 0.000 0.997 441 N HN 0.485 nan 8.380 nan 0.000 0.426 442 A N 1.061 123.866 122.820 -0.024 0.000 1.877 442 A HA -0.001 4.320 4.320 0.001 0.000 0.216 442 A C 2.401 179.968 177.584 -0.028 0.000 1.186 442 A CA 1.886 53.922 52.037 -0.001 0.000 0.620 442 A CB -0.868 18.147 19.000 0.025 0.000 0.822 442 A HN 0.325 nan 8.150 nan 0.000 0.443 443 A N -0.482 122.295 122.820 -0.071 0.000 1.940 443 A HA -0.100 4.220 4.320 0.001 0.000 0.219 443 A C 2.223 179.736 177.584 -0.118 0.000 1.176 443 A CA 1.555 53.546 52.037 -0.077 0.000 0.631 443 A CB -0.607 18.354 19.000 -0.065 0.000 0.814 443 A HN 0.517 nan 8.150 nan 0.000 0.446 444 L N -0.964 120.092 121.223 -0.278 0.000 2.017 444 L HA -0.251 4.089 4.340 0.001 0.000 0.208 444 L C 2.885 179.837 176.870 0.138 0.000 1.073 444 L CA 2.198 56.959 54.840 -0.131 0.000 0.745 444 L CB -0.394 41.484 42.059 -0.302 0.000 0.894 444 L HN 0.611 nan 8.230 nan 0.000 0.432 445 Q N 0.735 120.581 119.800 0.077 0.000 2.045 445 Q HA -0.324 4.017 4.340 0.001 0.000 0.206 445 Q C 2.137 178.229 176.000 0.154 0.000 0.991 445 Q CA 2.431 58.310 55.803 0.127 0.000 0.851 445 Q CB -0.292 28.489 28.738 0.071 0.000 0.911 445 Q HN 0.297 nan 8.270 nan 0.000 0.418 446 K N -0.969 119.490 120.400 0.098 0.000 2.097 446 K HA -0.099 4.221 4.320 0.001 0.000 0.205 446 K C 1.889 178.545 176.600 0.094 0.000 1.050 446 K CA 1.042 57.385 56.287 0.093 0.000 0.938 446 K CB -0.305 32.236 32.500 0.067 0.000 0.718 446 K HN 0.300 nan 8.250 nan 0.000 0.442 447 A N 0.821 123.690 122.820 0.081 0.000 1.845 447 A HA -0.150 4.171 4.320 0.001 0.000 0.215 447 A C 1.959 179.560 177.584 0.028 0.000 1.195 447 A CA 1.406 53.444 52.037 0.002 0.000 0.616 447 A CB -0.963 17.983 19.000 -0.091 0.000 0.832 447 A HN 0.363 nan 8.150 nan 0.000 0.443 448 F N 0.280 120.361 119.950 0.219 0.000 2.171 448 F HA -0.163 4.365 4.527 0.001 0.000 0.300 448 F C 2.529 178.425 175.800 0.160 0.000 1.090 448 F CA 1.824 59.975 58.000 0.251 0.000 1.293 448 F CB -0.180 38.929 39.000 0.183 0.000 1.013 448 F HN 0.334 nan 8.300 nan 0.000 0.486 449 E N -0.161 120.207 120.200 0.281 0.000 2.038 449 E HA -0.297 4.054 4.350 0.001 0.000 0.195 449 E C 2.192 178.844 176.600 0.088 0.000 1.000 449 E CA 1.645 58.148 56.400 0.172 0.000 0.803 449 E CB -0.343 29.441 29.700 0.141 0.000 0.750 449 E HN 0.546 nan 8.360 nan 0.000 0.448 450 Q N -0.231 119.574 119.800 0.007 0.000 2.061 450 Q HA -0.223 4.117 4.340 0.001 0.000 0.204 450 Q C 2.069 177.888 176.000 -0.301 0.000 0.984 450 Q CA 1.790 57.541 55.803 -0.086 0.000 0.846 450 Q CB -0.339 28.369 28.738 -0.049 0.000 0.902 450 Q HN 0.380 nan 8.270 nan 0.000 0.421 451 Y N 1.156 120.993 120.300 -0.773 0.000 2.053 451 Y HA -0.313 4.237 4.550 0.001 0.000 0.277 451 Y C 1.974 177.818 175.900 -0.094 0.000 1.159 451 Y CA 1.944 59.662 58.100 -0.637 0.000 1.125 451 Y CB -0.296 37.928 38.460 -0.393 0.000 0.969 451 Y HN 0.021 nan 8.280 nan 0.000 0.492 452 I N -0.262 120.271 120.570 -0.061 0.000 2.163 452 I HA -0.372 3.798 4.170 0.001 0.000 0.243 452 I C 2.326 178.411 176.117 -0.053 0.000 1.085 452 I CA 1.996 63.257 61.300 -0.064 0.000 1.347 452 I CB -0.792 37.301 38.000 0.157 0.000 1.044 452 I HN 0.302 nan 8.210 nan 0.000 0.408 453 T N 0.027 114.582 114.554 0.002 0.000 2.720 453 T HA -0.207 4.144 4.350 0.001 0.000 0.268 453 T C 1.573 176.258 174.700 -0.024 0.000 1.037 453 T CA 1.645 63.761 62.100 0.027 0.000 1.144 453 T CB -0.330 68.584 68.868 0.076 0.000 0.864 453 T HN 0.327 nan 8.240 nan 0.000 0.444 454 D N 0.774 121.147 120.400 -0.044 0.000 2.097 454 D HA -0.063 4.578 4.640 0.001 0.000 0.195 454 D C 2.334 178.624 176.300 -0.016 0.000 0.989 454 D CA 0.970 54.958 54.000 -0.021 0.000 0.827 454 D CB -0.061 40.792 40.800 0.089 0.000 0.966 454 D HN 0.229 nan 8.370 nan 0.000 0.456 455 K N 0.629 120.982 120.400 -0.077 0.000 2.062 455 K HA -0.029 4.291 4.320 0.001 0.000 0.205 455 K C 2.274 178.985 176.600 0.184 0.000 1.051 455 K CA 0.819 57.131 56.287 0.040 0.000 0.941 455 K CB -0.358 32.043 32.500 -0.165 0.000 0.719 455 K HN 0.166 nan 8.250 nan 0.000 0.440 456 S N 0.861 116.631 115.700 0.116 0.000 2.414 456 S HA 0.011 4.482 4.470 0.001 0.000 0.227 456 S C 2.289 176.991 174.600 0.170 0.000 1.022 456 S CA 0.814 59.125 58.200 0.185 0.000 0.958 456 S CB -0.162 63.149 63.200 0.184 0.000 0.797 456 S HN 0.247 nan 8.310 nan 0.000 0.493 457 A N 2.180 125.039 122.820 0.065 0.000 1.933 457 A HA 0.301 4.622 4.320 0.001 0.000 0.218 457 A C 2.487 180.059 177.584 -0.019 0.000 1.175 457 A CA 1.583 53.616 52.037 -0.007 0.000 0.628 457 A CB -1.379 17.535 19.000 -0.142 0.000 0.814 457 A HN 0.758 nan 8.150 nan 0.000 0.444 458 A N -1.344 121.480 122.820 0.007 0.000 1.902 458 A HA -0.186 4.134 4.320 0.001 0.000 0.217 458 A C 2.010 179.549 177.584 -0.076 0.000 1.181 458 A CA 1.622 53.660 52.037 0.001 0.000 0.623 458 A CB -0.910 18.150 19.000 0.101 0.000 0.818 458 A HN 0.900 nan 8.150 nan 0.000 0.443 459 W N 1.142 122.234 121.300 -0.346 0.000 2.388 459 W HA -0.106 4.554 4.660 0.001 0.000 0.294 459 W C 2.092 178.484 176.519 -0.212 0.000 1.212 459 W CA 2.171 59.190 57.345 -0.544 0.000 1.271 459 W CB -0.471 28.475 29.460 -0.856 0.000 1.126 459 W HN 0.267 nan 8.180 nan 0.000 0.535 460 T N 2.174 116.646 114.554 -0.137 0.000 2.684 460 T HA -0.263 4.088 4.350 0.001 0.000 0.267 460 T C 1.851 176.361 174.700 -0.316 0.000 1.036 460 T CA 1.559 63.492 62.100 -0.280 0.000 1.148 460 T CB -0.921 67.945 68.868 -0.004 0.000 0.863 460 T HN 0.161 nan 8.240 nan 0.000 0.436 461 L N 0.978 122.086 121.223 -0.193 0.000 2.197 461 L HA -0.157 4.183 4.340 0.001 0.000 0.215 461 L C 2.256 179.011 176.870 -0.192 0.000 1.095 461 L CA 1.904 56.661 54.840 -0.139 0.000 0.764 461 L CB -1.237 40.765 42.059 -0.095 0.000 0.897 461 L HN 0.315 nan 8.230 nan 0.000 0.436 462 T N -0.921 113.433 114.554 -0.334 0.000 3.035 462 T HA 0.130 4.480 4.350 0.001 0.000 0.259 462 T C 1.790 176.241 174.700 -0.416 0.000 1.078 462 T CA 0.860 62.761 62.100 -0.333 0.000 1.132 462 T CB 0.181 68.859 68.868 -0.316 0.000 0.900 462 T HN 0.533 nan 8.240 nan 0.000 0.480 463 A N 1.206 123.626 122.820 -0.667 0.000 1.854 463 A HA 0.006 4.327 4.320 0.001 0.000 0.214 463 A C 2.056 179.470 177.584 -0.285 0.000 1.192 463 A CA 1.433 53.131 52.037 -0.565 0.000 0.611 463 A CB -0.652 17.822 19.000 -0.876 0.000 0.832 463 A HN 0.548 nan 8.150 nan 0.000 0.442 464 E N -0.362 119.738 120.200 -0.166 0.000 2.136 464 E HA -0.343 4.008 4.350 0.001 0.000 0.208 464 E C 2.078 178.669 176.600 -0.015 0.000 1.035 464 E CA 2.064 58.496 56.400 0.055 0.000 0.838 464 E CB -0.197 29.615 29.700 0.187 0.000 0.748 464 E HN 0.647 nan 8.360 nan 0.000 0.459 465 K N 0.523 120.891 120.400 -0.053 0.000 2.032 465 K HA -0.218 4.103 4.320 0.001 0.000 0.209 465 K C 1.670 178.234 176.600 -0.059 0.000 1.048 465 K CA 2.089 58.354 56.287 -0.036 0.000 0.927 465 K CB 0.032 32.500 32.500 -0.054 0.000 0.712 465 K HN 0.007 nan 8.250 nan 0.000 0.441 466 D N 0.694 121.031 120.400 -0.104 0.000 2.084 466 D HA -0.144 4.497 4.640 0.001 0.000 0.196 466 D C 1.954 178.176 176.300 -0.130 0.000 0.985 466 D CA 1.094 55.033 54.000 -0.102 0.000 0.826 466 D CB -0.151 40.587 40.800 -0.102 0.000 0.978 466 D HN 0.166 nan 8.370 nan 0.000 0.456 467 I N 1.368 121.802 120.570 -0.226 0.000 2.091 467 I HA -0.284 3.887 4.170 0.001 0.000 0.239 467 I C 1.947 177.896 176.117 -0.280 0.000 1.061 467 I CA 1.257 62.323 61.300 -0.389 0.000 1.317 467 I CB -1.277 36.130 38.000 -0.988 0.000 1.031 467 I HN 0.054 nan 8.210 nan 0.000 0.401 468 N N 1.166 119.755 118.700 -0.185 0.000 2.091 468 N HA -0.174 4.567 4.740 0.001 0.000 0.193 468 N C 1.879 177.441 175.510 0.086 0.000 1.021 468 N CA 1.917 55.017 53.050 0.083 0.000 0.862 468 N CB -0.343 38.248 38.487 0.174 0.000 1.018 468 N HN 0.462 nan 8.380 nan 0.000 0.429 469 A N 0.537 123.367 122.820 0.017 0.000 1.972 469 A HA 0.065 4.386 4.320 0.001 0.000 0.219 469 A C 2.341 179.923 177.584 -0.003 0.000 1.169 469 A CA 1.818 53.862 52.037 0.011 0.000 0.635 469 A CB -0.609 18.382 19.000 -0.016 0.000 0.810 469 A HN 0.347 nan 8.150 nan 0.000 0.446 470 A N -0.960 121.831 122.820 -0.048 0.000 1.854 470 A HA 0.061 4.382 4.320 0.001 0.000 0.214 470 A C 1.938 179.467 177.584 -0.091 0.000 1.192 470 A CA 1.286 53.250 52.037 -0.121 0.000 0.611 470 A CB -0.821 18.055 19.000 -0.206 0.000 0.832 470 A HN 0.460 nan 8.150 nan 0.000 0.442 471 F N 0.248 120.199 119.950 0.002 0.000 2.250 471 F HA -0.148 4.380 4.527 0.002 0.000 0.301 471 F C 2.321 178.136 175.800 0.025 0.000 1.077 471 F CA 1.730 59.704 58.000 -0.044 0.000 1.348 471 F CB 0.058 39.000 39.000 -0.097 0.000 1.040 471 F HN 0.198 nan 8.300 nan 0.000 0.509 472 K N 0.420 120.942 120.400 0.202 0.000 2.103 472 K HA -0.192 4.129 4.320 0.001 0.000 0.204 472 K C 1.888 178.560 176.600 0.120 0.000 1.052 472 K CA 1.401 57.780 56.287 0.153 0.000 0.945 472 K CB -0.025 32.543 32.500 0.112 0.000 0.722 472 K HN 0.123 nan 8.250 nan 0.000 0.443 473 E N 0.517 120.770 120.200 0.087 0.000 2.216 473 E HA -0.022 4.328 4.350 0.001 0.000 0.192 473 E C 1.790 178.466 176.600 0.127 0.000 0.988 473 E CA 0.508 56.952 56.400 0.073 0.000 0.834 473 E CB 0.128 29.844 29.700 0.026 0.000 0.772 473 E HN 0.254 nan 8.360 nan 0.000 0.479 474 L N -0.457 120.859 121.223 0.156 0.000 2.156 474 L HA -0.077 4.264 4.340 0.001 0.000 0.208 474 L C 2.431 179.545 176.870 0.407 0.000 1.095 474 L CA 0.837 55.862 54.840 0.309 0.000 0.770 474 L CB -0.310 41.872 42.059 0.206 0.000 0.914 474 L HN 0.118 nan 8.230 nan 0.000 0.439 475 S N -0.197 115.685 115.700 0.303 0.000 2.382 475 S HA -0.217 4.254 4.470 0.001 0.000 0.228 475 S C 2.178 176.874 174.600 0.159 0.000 1.027 475 S CA 1.356 59.713 58.200 0.262 0.000 0.991 475 S CB -0.123 63.204 63.200 0.212 0.000 0.823 475 S HN 0.336 nan 8.310 nan 0.000 0.469 476 R N 0.193 120.768 120.500 0.125 0.000 2.090 476 R HA 0.034 4.375 4.340 0.001 0.000 0.228 476 R C 2.298 178.617 176.300 0.030 0.000 1.110 476 R CA 1.553 57.689 56.100 0.059 0.000 0.973 476 R CB -0.491 29.836 30.300 0.045 0.000 0.869 476 R HN 0.321 nan 8.270 nan 0.000 0.440 477 S N 0.650 116.402 115.700 0.086 0.000 2.382 477 S HA -0.101 4.370 4.470 0.001 0.000 0.228 477 S C 1.953 176.522 174.600 -0.052 0.000 1.027 477 S CA 1.124 59.352 58.200 0.047 0.000 0.991 477 S CB -0.132 63.247 63.200 0.298 0.000 0.823 477 S HN 0.557 nan 8.310 nan 0.000 0.469 478 A N 0.912 123.690 122.820 -0.071 0.000 1.940 478 A HA -0.116 4.205 4.320 0.001 0.000 0.219 478 A C 2.277 179.770 177.584 -0.152 0.000 1.176 478 A CA 1.989 53.915 52.037 -0.186 0.000 0.631 478 A CB -1.005 18.044 19.000 0.081 0.000 0.814 478 A HN 0.485 nan 8.150 nan 0.000 0.446 479 S N -0.904 114.743 115.700 -0.088 0.000 2.368 479 S HA -0.219 4.252 4.470 0.001 0.000 0.225 479 S C 2.170 176.709 174.600 -0.101 0.000 1.030 479 S CA 1.687 59.825 58.200 -0.103 0.000 0.999 479 S CB -0.363 62.803 63.200 -0.057 0.000 0.844 479 S HN 0.691 nan 8.310 nan 0.000 0.459 480 Q N -0.706 119.029 119.800 -0.109 0.000 1.965 480 Q HA -0.107 4.233 4.340 0.001 0.000 0.200 480 Q C 2.010 177.957 176.000 -0.089 0.000 0.981 480 Q CA 1.953 57.673 55.803 -0.139 0.000 0.834 480 Q CB -0.473 28.114 28.738 -0.251 0.000 0.900 480 Q HN 0.706 nan 8.270 nan 0.000 0.426 481 Y N 0.457 120.731 120.300 -0.044 0.000 2.193 481 Y HA -0.266 4.285 4.550 0.001 0.000 0.285 481 Y C 2.476 178.481 175.900 0.175 0.000 1.166 481 Y CA 0.812 58.951 58.100 0.065 0.000 1.181 481 Y CB -0.548 37.908 38.460 -0.007 0.000 0.976 481 Y HN 0.277 nan 8.280 nan 0.000 0.520 482 G N -0.448 108.408 108.800 0.095 0.000 2.446 482 G HA2 -0.290 3.671 3.960 0.001 0.000 0.217 482 G HA3 -0.290 3.671 3.960 0.001 0.000 0.217 482 G C 1.863 176.794 174.900 0.051 0.000 1.168 482 G CA 1.023 46.044 45.100 -0.133 0.000 0.771 482 G HN 0.483 nan 8.290 nan 0.000 0.551 483 A N 0.446 123.278 122.820 0.020 0.000 1.898 483 A HA 0.011 4.332 4.320 0.001 0.000 0.216 483 A C 2.646 180.278 177.584 0.081 0.000 1.181 483 A CA 2.298 54.352 52.037 0.029 0.000 0.620 483 A CB -0.791 18.203 19.000 -0.011 0.000 0.819 483 A HN 0.464 nan 8.150 nan 0.000 0.442 484 S N -2.059 113.709 115.700 0.113 0.000 2.383 484 S HA -0.191 4.280 4.470 0.001 0.000 0.227 484 S C 1.864 176.577 174.600 0.189 0.000 1.026 484 S CA 1.490 59.768 58.200 0.130 0.000 0.981 484 S CB -0.547 62.740 63.200 0.144 0.000 0.818 484 S HN 0.618 nan 8.310 nan 0.000 0.472 485 Y N 2.457 122.854 120.300 0.163 0.000 2.224 485 Y HA -0.050 4.501 4.550 0.001 0.000 0.289 485 Y C 2.105 178.074 175.900 0.116 0.000 1.146 485 Y CA 2.066 60.288 58.100 0.202 0.000 1.182 485 Y CB -0.476 38.227 38.460 0.405 0.000 0.983 485 Y HN 0.443 nan 8.280 nan 0.000 0.524 486 N N -0.784 118.055 118.700 0.233 0.000 2.142 486 N HA -0.195 4.546 4.740 0.001 0.000 0.186 486 N C 1.671 177.198 175.510 0.029 0.000 1.023 486 N CA 0.877 53.998 53.050 0.119 0.000 0.852 486 N CB -0.083 38.461 38.487 0.094 0.000 0.998 486 N HN 0.395 nan 8.380 nan 0.000 0.424 487 Q N 1.290 121.104 119.800 0.023 0.000 1.978 487 Q HA -0.207 4.133 4.340 0.001 0.000 0.211 487 Q C 2.225 178.195 176.000 -0.051 0.000 1.013 487 Q CA 1.321 57.119 55.803 -0.009 0.000 0.869 487 Q CB -0.760 27.978 28.738 -0.000 0.000 0.953 487 Q HN 0.435 nan 8.270 nan 0.000 0.415 488 I N 0.325 120.845 120.570 -0.084 0.000 2.248 488 I HA -0.212 3.958 4.170 0.001 0.000 0.248 488 I C 2.291 178.280 176.117 -0.213 0.000 1.107 488 I CA 1.492 62.696 61.300 -0.161 0.000 1.373 488 I CB -1.638 36.233 38.000 -0.216 0.000 1.055 488 I HN 0.236 nan 8.210 nan 0.000 0.418 489 T N 0.461 114.898 114.554 -0.195 0.000 2.904 489 T HA -0.104 4.247 4.350 0.001 0.000 0.267 489 T C 1.398 176.038 174.700 -0.099 0.000 1.059 489 T CA 1.227 63.221 62.100 -0.176 0.000 1.137 489 T CB -0.025 68.784 68.868 -0.099 0.000 0.879 489 T HN 0.278 nan 8.240 nan 0.000 0.467 490 D N 0.858 121.221 120.400 -0.061 0.000 2.194 490 D HA 0.003 4.644 4.640 0.001 0.000 0.204 490 D C 2.286 178.554 176.300 -0.053 0.000 0.964 490 D CA 0.691 54.669 54.000 -0.038 0.000 0.846 490 D CB -0.251 40.539 40.800 -0.017 0.000 0.962 490 D HN 0.448 nan 8.370 nan 0.000 0.490 491 Q N 0.089 119.845 119.800 -0.073 0.000 2.170 491 Q HA -0.087 4.254 4.340 0.001 0.000 0.203 491 Q C 2.286 178.226 176.000 -0.099 0.000 0.976 491 Q CA 0.700 56.457 55.803 -0.078 0.000 0.858 491 Q CB 0.037 28.722 28.738 -0.088 0.000 0.907 491 Q HN 0.373 nan 8.270 nan 0.000 0.433 492 I N -0.020 120.461 120.570 -0.148 0.000 2.202 492 I HA -0.249 3.922 4.170 0.001 0.000 0.242 492 I C 2.132 178.201 176.117 -0.080 0.000 1.091 492 I CA 1.218 62.415 61.300 -0.172 0.000 1.368 492 I CB -0.354 37.460 38.000 -0.311 0.000 1.058 492 I HN 0.173 nan 8.210 nan 0.000 0.410 493 T N -0.244 114.277 114.554 -0.055 0.000 2.788 493 T HA -0.218 4.133 4.350 0.001 0.000 0.268 493 T C 1.732 176.426 174.700 -0.010 0.000 1.044 493 T CA 1.424 63.514 62.100 -0.017 0.000 1.139 493 T CB -0.205 68.661 68.868 -0.004 0.000 0.867 493 T HN 0.376 nan 8.240 nan 0.000 0.454 494 E N 1.166 121.355 120.200 -0.020 0.000 2.006 494 E HA -0.091 4.260 4.350 0.001 0.000 0.192 494 E C 2.101 178.696 176.600 -0.010 0.000 0.993 494 E CA 0.984 57.377 56.400 -0.012 0.000 0.808 494 E CB 0.024 29.713 29.700 -0.017 0.000 0.764 494 E HN 0.291 nan 8.360 nan 0.000 0.449 495 K N 0.008 120.396 120.400 -0.020 0.000 2.442 495 K HA -0.145 4.176 4.320 0.001 0.000 0.199 495 K C 1.946 178.547 176.600 0.002 0.000 1.044 495 K CA 0.675 56.955 56.287 -0.012 0.000 0.941 495 K CB 0.019 32.505 32.500 -0.023 0.000 0.759 495 K HN 0.272 nan 8.250 nan 0.000 0.472 496 L N -0.730 120.496 121.223 0.005 0.000 2.316 496 L HA -0.045 4.296 4.340 0.001 0.000 0.207 496 L C 2.026 178.909 176.870 0.022 0.000 1.070 496 L CA 0.803 55.656 54.840 0.021 0.000 0.820 496 L CB 0.045 42.123 42.059 0.030 0.000 0.992 496 L HN 0.067 nan 8.230 nan 0.000 0.466 497 T N -1.561 113.003 114.554 0.018 0.000 2.980 497 T HA 0.258 4.609 4.350 0.001 0.000 0.239 497 T C 1.346 176.056 174.700 0.017 0.000 1.011 497 T CA 1.014 63.127 62.100 0.021 0.000 1.171 497 T CB 0.542 69.423 68.868 0.023 0.000 0.873 497 T HN 0.475 nan 8.240 nan 0.000 0.431 498 G N 1.698 110.505 108.800 0.012 0.000 2.909 498 G HA2 -0.131 3.830 3.960 0.001 0.000 0.198 498 G HA3 -0.131 3.830 3.960 0.001 0.000 0.198 498 G C -0.108 174.797 174.900 0.008 0.000 1.124 498 G CA -0.259 44.847 45.100 0.009 0.000 0.796 498 G HN 0.613 nan 8.290 nan 0.000 0.489 499 K N 1.316 121.723 120.400 0.012 0.000 2.123 499 K HA 0.706 5.027 4.320 0.001 0.000 0.259 499 K C -1.139 175.468 176.600 0.010 0.000 0.960 499 K CA -0.699 55.595 56.287 0.011 0.000 0.872 499 K CB 2.426 34.935 32.500 0.015 0.000 1.079 499 K HN 0.153 nan 8.250 nan 0.000 0.440 500 D N 0.603 121.008 120.400 0.008 0.000 2.432 500 D HA 0.304 4.945 4.640 0.001 0.000 0.258 500 D C -1.015 175.291 176.300 0.010 0.000 1.146 500 D CA -0.576 53.428 54.000 0.006 0.000 1.015 500 D CB 1.593 42.395 40.800 0.003 0.000 1.107 500 D HN 0.301 nan 8.370 nan 0.000 0.529 511 E N 2.537 122.719 120.200 -0.031 0.000 2.152 511 E HA 0.079 4.430 4.350 0.001 0.000 0.285 511 E C -0.739 175.828 176.600 -0.054 0.000 1.043 511 E CA -0.177 56.196 56.400 -0.045 0.000 0.839 511 E CB 0.690 30.355 29.700 -0.059 0.000 1.069 511 E HN -0.060 nan 8.360 nan 0.000 0.399 512 D N 3.923 124.289 120.400 -0.058 0.000 2.451 512 D HA -0.107 4.534 4.640 0.001 0.000 0.254 512 D C -0.211 176.041 176.300 -0.080 0.000 1.204 512 D CA 0.245 54.207 54.000 -0.064 0.000 0.896 512 D CB 0.268 41.029 40.800 -0.065 0.000 1.136 512 D HN 0.356 nan 8.370 nan 0.000 0.499 513 N N 2.078 120.735 118.700 -0.071 0.000 2.990 513 N HA 0.070 4.811 4.740 0.001 0.000 0.288 513 N C -0.926 174.538 175.510 -0.078 0.000 1.624 513 N CA -0.650 52.354 53.050 -0.077 0.000 0.961 513 N CB 0.293 38.743 38.487 -0.061 0.000 1.259 513 N HN 0.165 nan 8.380 nan 0.000 0.489 514 S N 0.688 116.318 115.700 -0.116 0.000 2.632 514 S HA 0.494 4.965 4.470 0.001 0.000 0.267 514 S C -2.312 172.165 174.600 -0.206 0.000 1.276 514 S CA -1.053 57.048 58.200 -0.165 0.000 0.998 514 S CB 0.865 63.931 63.200 -0.224 0.000 0.953 514 S HN 0.346 nan 8.310 nan 0.000 0.547 515 P HA 0.160 nan 4.420 nan 0.000 0.272 515 P C 1.312 178.441 177.300 -0.286 0.000 1.230 515 P CA -0.067 62.898 63.100 -0.224 0.000 0.788 515 P CB 0.111 31.622 31.700 -0.314 0.000 0.949 516 G N 2.563 111.396 108.800 0.055 0.000 2.681 516 G HA2 -0.295 3.666 3.960 0.001 0.000 0.220 516 G HA3 -0.295 3.666 3.960 0.001 0.000 0.220 516 G C 1.412 176.446 174.900 0.223 0.000 1.210 516 G CA 1.099 46.320 45.100 0.202 0.000 0.783 516 G HN 0.777 nan 8.290 nan 0.000 0.609 517 W N 1.307 122.717 121.300 0.182 0.000 2.325 517 W HA 0.030 4.691 4.660 0.001 0.000 0.299 517 W C 2.317 178.914 176.519 0.129 0.000 1.215 517 W CA 1.588 59.017 57.345 0.140 0.000 1.244 517 W CB -1.194 28.243 29.460 -0.038 0.000 1.140 517 W HN 0.371 nan 8.180 nan 0.000 0.523 518 A N 1.728 124.035 122.820 -0.856 0.000 1.898 518 A HA -0.169 4.152 4.320 0.001 0.000 0.216 518 A C 2.191 179.636 177.584 -0.232 0.000 1.181 518 A CA 2.011 53.557 52.037 -0.819 0.000 0.620 518 A CB -0.750 17.503 19.000 -1.246 0.000 0.819 518 A HN 0.309 nan 8.150 nan 0.000 0.442 519 K N -1.201 119.075 120.400 -0.207 0.000 2.001 519 K HA -0.252 4.069 4.320 0.001 0.000 0.214 519 K C 1.832 178.397 176.600 -0.058 0.000 1.050 519 K CA 1.912 58.107 56.287 -0.153 0.000 0.934 519 K CB -0.411 31.949 32.500 -0.234 0.000 0.718 519 K HN 0.674 nan 8.250 nan 0.000 0.443 520 W N 0.781 122.104 121.300 0.039 0.000 2.301 520 W HA -0.283 4.378 4.660 0.001 0.000 0.325 520 W C 2.603 179.221 176.519 0.165 0.000 1.250 520 W CA 1.596 59.007 57.345 0.109 0.000 1.261 520 W CB -0.668 28.863 29.460 0.118 0.000 1.157 520 W HN 0.213 nan 8.180 nan 0.000 0.473 521 A N -0.381 122.677 122.820 0.398 0.000 1.978 521 A HA -0.228 4.093 4.320 0.001 0.000 0.220 521 A C 1.890 179.734 177.584 0.433 0.000 1.170 521 A CA 2.016 54.275 52.037 0.369 0.000 0.636 521 A CB -0.799 18.467 19.000 0.444 0.000 0.810 521 A HN 0.360 nan 8.150 nan 0.000 0.448 522 M N -1.819 117.938 119.600 0.260 0.000 2.562 522 M HA 0.121 4.602 4.480 0.001 0.000 0.257 522 M C 1.491 177.909 176.300 0.195 0.000 1.099 522 M CA 0.900 56.320 55.300 0.199 0.000 1.099 522 M CB 0.041 32.681 32.600 0.067 0.000 1.427 522 M HN 0.659 nan 8.290 nan 0.000 0.489 523 G N 0.378 109.306 108.800 0.212 0.000 2.157 523 G HA2 -0.241 3.720 3.960 0.001 0.000 0.248 523 G HA3 -0.241 3.720 3.960 0.001 0.000 0.248 523 G C 0.520 175.441 174.900 0.035 0.000 0.979 523 G CA -0.109 45.103 45.100 0.188 0.000 0.650 523 G HN 0.341 nan 8.290 nan 0.000 0.529 524 L N -0.339 120.856 121.223 -0.047 0.000 2.362 524 L HA 0.349 4.690 4.340 0.001 0.000 0.219 524 L C 1.361 178.072 176.870 -0.265 0.000 1.134 524 L CA 1.409 56.168 54.840 -0.135 0.000 0.807 524 L CB -0.053 41.914 42.059 -0.153 0.000 0.927 524 L HN 0.431 nan 8.230 nan 0.000 0.447 525 L N -1.819 119.147 121.223 -0.429 0.000 2.362 525 L HA 0.559 4.900 4.340 0.001 0.000 0.275 525 L C -0.124 176.451 176.870 -0.491 0.000 0.998 525 L CA -0.141 54.246 54.840 -0.755 0.000 0.820 525 L CB 1.777 42.763 42.059 -1.788 0.000 1.270 525 L HN -0.174 nan 8.230 nan 0.000 0.415 541 G N 0.771 109.592 108.800 0.035 0.000 2.685 541 G HA2 -0.252 3.709 3.960 0.001 0.000 0.357 541 G HA3 -0.252 3.709 3.960 0.001 0.000 0.357 541 G C 0.332 175.307 174.900 0.125 0.000 1.272 541 G CA 1.112 46.271 45.100 0.098 0.000 0.972 541 G HN 1.629 nan 8.290 nan 0.000 0.550 542 F N 1.825 121.779 119.950 0.007 0.000 2.396 542 F HA 0.491 5.019 4.527 0.001 0.000 0.343 542 F C 0.612 176.326 175.800 -0.144 0.000 1.104 542 F CA -0.238 57.751 58.000 -0.019 0.000 1.161 542 F CB 1.262 40.249 39.000 -0.021 0.000 1.146 542 F HN 0.287 nan 8.300 nan 0.000 0.522 543 D N 7.396 127.232 120.400 -0.940 0.000 2.994 543 D HA -0.025 4.616 4.640 0.001 0.000 0.240 543 D C 1.231 177.073 176.300 -0.762 0.000 1.195 543 D CA -0.058 53.499 54.000 -0.738 0.000 0.957 543 D CB -0.191 40.297 40.800 -0.519 0.000 1.105 543 D HN 0.702 nan 8.370 nan 0.000 0.477 544 W N 0.779 121.698 121.300 -0.635 0.000 2.374 544 W HA -0.146 4.515 4.660 0.002 0.000 0.288 544 W C 1.360 177.762 176.519 -0.195 0.000 1.218 544 W CA 0.141 57.269 57.345 -0.362 0.000 1.245 544 W CB -0.575 28.653 29.460 -0.386 0.000 1.126 544 W HN 0.067 nan 8.180 nan 0.000 0.545 545 K N 1.153 120.941 120.400 -1.019 0.000 2.063 545 K HA -0.192 4.129 4.320 0.001 0.000 0.208 545 K C 1.949 178.341 176.600 -0.346 0.000 1.048 545 K CA 2.049 57.794 56.287 -0.902 0.000 0.928 545 K CB -0.394 31.496 32.500 -1.016 0.000 0.713 545 K HN -0.034 nan 8.250 nan 0.000 0.442 546 N N 0.015 118.526 118.700 -0.315 0.000 2.290 546 N HA -0.051 4.689 4.740 0.001 0.000 0.179 546 N C 1.550 177.019 175.510 -0.070 0.000 1.016 546 N CA 0.759 53.703 53.050 -0.176 0.000 0.871 546 N CB 0.004 38.370 38.487 -0.202 0.000 0.987 546 N HN 0.095 nan 8.380 nan 0.000 0.431 547 I N 1.836 122.365 120.570 -0.068 0.000 2.118 547 I HA -0.246 3.925 4.170 0.001 0.000 0.241 547 I C 2.377 178.579 176.117 0.143 0.000 1.070 547 I CA 0.874 62.199 61.300 0.042 0.000 1.327 547 I CB -1.201 36.845 38.000 0.076 0.000 1.034 547 I HN 0.181 nan 8.210 nan 0.000 0.405 548 L N 0.243 121.581 121.223 0.191 0.000 2.042 548 L HA -0.214 4.127 4.340 0.001 0.000 0.210 548 L C 2.391 179.503 176.870 0.404 0.000 1.076 548 L CA 1.787 56.826 54.840 0.333 0.000 0.749 548 L CB -0.581 41.713 42.059 0.392 0.000 0.893 548 L HN 0.257 nan 8.230 nan 0.000 0.432 549 L N -0.528 120.821 121.223 0.209 0.000 2.209 549 L HA -0.139 4.202 4.340 0.001 0.000 0.207 549 L C 2.052 179.017 176.870 0.160 0.000 1.094 549 L CA 1.186 56.125 54.840 0.165 0.000 0.790 549 L CB -0.616 41.451 42.059 0.013 0.000 0.932 549 L HN 0.426 nan 8.230 nan 0.000 0.447 550 N N -1.240 117.535 118.700 0.125 0.000 2.216 550 N HA -0.234 4.507 4.740 0.001 0.000 0.183 550 N C 1.733 177.325 175.510 0.136 0.000 1.017 550 N CA 0.860 53.968 53.050 0.096 0.000 0.861 550 N CB -0.003 38.521 38.487 0.061 0.000 0.986 550 N HN 0.257 nan 8.380 nan 0.000 0.428 551 Y N 0.613 120.953 120.300 0.067 0.000 2.293 551 Y HA -0.081 4.469 4.550 0.001 0.000 0.291 551 Y C 1.581 177.465 175.900 -0.027 0.000 1.137 551 Y CA 1.222 59.329 58.100 0.011 0.000 1.202 551 Y CB -0.247 38.205 38.460 -0.013 0.000 0.990 551 Y HN -0.056 nan 8.280 nan 0.000 0.537 552 F N -0.266 119.699 119.950 0.026 0.000 2.407 552 F HA -0.123 4.404 4.527 0.001 0.000 0.299 552 F C 2.279 178.035 175.800 -0.074 0.000 1.097 552 F CA 1.632 59.606 58.000 -0.042 0.000 1.422 552 F CB -0.434 38.602 39.000 0.062 0.000 1.067 552 F HN -0.042 nan 8.300 nan 0.000 0.539 553 T N -0.960 113.653 114.554 0.097 0.000 2.857 553 T HA -0.072 4.279 4.350 0.001 0.000 0.266 553 T C 1.760 176.441 174.700 -0.030 0.000 1.048 553 T CA 1.156 63.279 62.100 0.039 0.000 1.139 553 T CB -0.364 68.524 68.868 0.033 0.000 0.874 553 T HN -0.000 nan 8.240 nan 0.000 0.455 554 V N 1.508 121.359 119.914 -0.104 0.000 3.602 554 V HA 0.141 4.262 4.120 0.001 0.000 0.289 554 V C 1.229 177.198 176.094 -0.209 0.000 1.265 554 V CA 0.513 62.730 62.300 -0.138 0.000 1.202 554 V CB -1.071 30.675 31.823 -0.129 0.000 1.012 554 V HN 0.425 nan 8.190 nan 0.000 0.431 555 I N -0.362 120.088 120.570 -0.200 0.000 3.814 555 I HA 0.579 4.750 4.170 0.001 0.000 0.264 555 I C 0.916 176.999 176.117 -0.057 0.000 1.145 555 I CA 1.148 62.342 61.300 -0.177 0.000 1.375 555 I CB 0.183 37.998 38.000 -0.309 0.000 1.638 555 I HN 0.397 nan 8.210 nan 0.000 0.432 556 G N 1.788 110.591 108.800 0.004 0.000 2.317 556 G HA2 0.286 4.246 3.960 0.001 0.000 0.445 556 G HA3 0.286 4.246 3.960 0.001 0.000 0.445 556 G C -0.853 174.120 174.900 0.122 0.000 1.486 556 G CA -0.570 44.563 45.100 0.056 0.000 0.991 556 G HN 0.095 nan 8.290 nan 0.000 0.660 557 I N 1.694 122.330 120.570 0.111 0.000 2.317 557 I HA 0.306 4.476 4.170 0.001 0.000 0.307 557 I C 1.108 177.283 176.117 0.096 0.000 1.528 557 I CA 0.502 61.876 61.300 0.123 0.000 0.688 557 I CB -0.140 37.952 38.000 0.153 0.000 2.200 557 I HN 2.301 nan 8.210 nan 0.000 0.698 558 G N 1.600 110.451 108.800 0.084 0.000 2.527 558 G HA2 -0.288 3.673 3.960 0.001 0.000 0.262 558 G HA3 -0.288 3.673 3.960 0.001 0.000 0.262 558 G C 0.859 175.804 174.900 0.075 0.000 1.153 558 G CA 0.214 45.359 45.100 0.075 0.000 0.954 558 G HN 0.629 nan 8.290 nan 0.000 0.552 559 G N -0.005 108.837 108.800 0.070 0.000 2.625 559 G HA2 0.234 4.195 3.960 0.001 0.000 0.214 559 G HA3 0.234 4.195 3.960 0.001 0.000 0.214 559 G C 1.630 176.578 174.900 0.079 0.000 1.132 559 G CA 1.303 46.441 45.100 0.063 0.000 0.782 559 G HN 0.589 nan 8.290 nan 0.000 0.538 560 I N 0.499 121.130 120.570 0.102 0.000 2.162 560 I HA -0.063 4.107 4.170 0.001 0.000 0.238 560 I C 2.443 178.627 176.117 0.111 0.000 1.076 560 I CA 0.982 62.354 61.300 0.121 0.000 1.353 560 I CB -0.362 37.723 38.000 0.142 0.000 1.063 560 I HN 0.067 nan 8.210 nan 0.000 0.408 561 I N 0.491 121.125 120.570 0.106 0.000 2.490 561 I HA -0.122 4.049 4.170 0.001 0.000 0.234 561 I C 2.579 178.755 176.117 0.099 0.000 1.066 561 I CA 1.395 62.761 61.300 0.110 0.000 1.405 561 I CB -1.694 36.374 38.000 0.113 0.000 1.191 561 I HN 0.146 nan 8.210 nan 0.000 0.433 562 T N 1.775 116.381 114.554 0.087 0.000 2.788 562 T HA -0.065 4.286 4.350 0.001 0.000 0.268 562 T C 2.017 176.750 174.700 0.055 0.000 1.044 562 T CA 1.418 63.563 62.100 0.075 0.000 1.139 562 T CB -0.353 68.557 68.868 0.070 0.000 0.867 562 T HN 0.411 nan 8.240 nan 0.000 0.454 563 A N 1.294 124.144 122.820 0.051 0.000 1.845 563 A HA -0.039 4.282 4.320 0.001 0.000 0.215 563 A C 2.603 180.199 177.584 0.020 0.000 1.195 563 A CA 1.444 53.500 52.037 0.032 0.000 0.616 563 A CB -1.204 17.815 19.000 0.033 0.000 0.832 563 A HN 0.301 nan 8.150 nan 0.000 0.443 564 V N 0.084 120.018 119.914 0.033 0.000 2.250 564 V HA -0.312 3.809 4.120 0.001 0.000 0.250 564 V C 2.777 178.873 176.094 0.002 0.000 1.060 564 V CA 2.691 65.005 62.300 0.025 0.000 1.030 564 V CB -1.438 30.423 31.823 0.063 0.000 0.643 564 V HN 0.653 nan 8.190 nan 0.000 0.445 565 T N 0.266 114.830 114.554 0.016 0.000 2.665 565 T HA -0.198 4.153 4.350 0.001 0.000 0.268 565 T C 1.877 176.527 174.700 -0.082 0.000 1.035 565 T CA 1.690 63.768 62.100 -0.037 0.000 1.151 565 T CB -0.820 68.081 68.868 0.055 0.000 0.862 565 T HN 0.664 nan 8.240 nan 0.000 0.438 566 G N 1.374 110.157 108.800 -0.029 0.000 2.475 566 G HA2 -0.174 3.786 3.960 0.001 0.000 0.220 566 G HA3 -0.174 3.786 3.960 0.001 0.000 0.220 566 G C 1.388 176.260 174.900 -0.047 0.000 1.125 566 G CA 0.590 45.674 45.100 -0.025 0.000 0.755 566 G HN 0.574 nan 8.290 nan 0.000 0.565 567 I N 0.091 120.627 120.570 -0.056 0.000 3.083 567 I HA -0.022 4.149 4.170 0.001 0.000 0.273 567 I C 2.091 178.204 176.117 -0.005 0.000 1.297 567 I CA 0.445 61.712 61.300 -0.056 0.000 1.452 567 I CB -0.042 37.879 38.000 -0.131 0.000 1.078 567 I HN 0.173 nan 8.210 nan 0.000 0.484 568 L N -1.268 119.893 121.223 -0.103 0.000 2.467 568 L HA 0.049 4.390 4.340 0.001 0.000 0.213 568 L C 2.152 178.910 176.870 -0.187 0.000 1.053 568 L CA 0.112 54.821 54.840 -0.218 0.000 0.847 568 L CB -0.249 41.489 42.059 -0.535 0.000 1.075 568 L HN 0.089 nan 8.230 nan 0.000 0.479 569 L N 0.645 121.791 121.223 -0.129 0.000 2.017 569 L HA -0.087 4.253 4.340 0.001 0.000 0.208 569 L C 2.544 179.455 176.870 0.068 0.000 1.073 569 L CA 2.157 56.993 54.840 -0.006 0.000 0.745 569 L CB -1.277 40.798 42.059 0.028 0.000 0.894 569 L HN 0.224 nan 8.230 nan 0.000 0.432 570 G N -0.012 108.802 108.800 0.024 0.000 2.639 570 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 570 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 570 G C -0.656 174.217 174.900 -0.045 0.000 1.267 570 G CA 1.027 46.150 45.100 0.039 0.000 0.801 570 G HN 0.307 nan 8.290 nan 0.000 0.592 571 P HA -0.022 nan 4.420 nan 0.000 0.222 571 P C 1.657 178.945 177.300 -0.020 0.000 1.142 571 P CA 0.743 63.636 63.100 -0.346 0.000 0.788 571 P CB -0.027 31.500 31.700 -0.289 0.000 0.767 572 I N -1.458 119.146 120.570 0.057 0.000 2.400 572 I HA -0.059 4.111 4.170 0.001 0.000 0.248 572 I C 2.477 178.747 176.117 0.253 0.000 1.109 572 I CA 1.234 62.618 61.300 0.141 0.000 1.425 572 I CB -0.986 37.110 38.000 0.159 0.000 1.094 572 I HN -0.013 nan 8.210 nan 0.000 0.425 573 G N 1.037 110.054 108.800 0.361 0.000 2.446 573 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 573 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 573 G C 1.457 176.630 174.900 0.456 0.000 1.168 573 G CA 0.607 46.003 45.100 0.493 0.000 0.771 573 G HN 0.148 nan 8.290 nan 0.000 0.551 574 F N 1.858 121.894 119.950 0.145 0.000 2.043 574 F HA -0.086 4.442 4.527 0.002 0.000 0.297 574 F C 3.095 178.940 175.800 0.076 0.000 1.121 574 F CA 0.980 59.041 58.000 0.102 0.000 1.199 574 F CB -1.000 38.041 39.000 0.069 0.000 0.968 574 F HN 0.258 nan 8.300 nan 0.000 0.478 575 A N -0.155 122.827 122.820 0.271 0.000 1.933 575 A HA -0.112 4.209 4.320 0.001 0.000 0.218 575 A C 2.305 179.930 177.584 0.068 0.000 1.175 575 A CA 1.283 53.402 52.037 0.136 0.000 0.628 575 A CB -1.098 17.956 19.000 0.089 0.000 0.814 575 A HN 0.406 nan 8.150 nan 0.000 0.444 576 L N -0.556 120.691 121.223 0.039 0.000 2.191 576 L HA -0.136 4.205 4.340 0.001 0.000 0.212 576 L C 2.305 179.100 176.870 -0.124 0.000 1.103 576 L CA 0.433 55.197 54.840 -0.127 0.000 0.769 576 L CB -0.359 41.485 42.059 -0.360 0.000 0.908 576 L HN 0.313 nan 8.230 nan 0.000 0.438 577 L N -0.269 120.970 121.223 0.027 0.000 2.156 577 L HA -0.065 4.275 4.340 0.001 0.000 0.208 577 L C 2.589 179.492 176.870 0.055 0.000 1.095 577 L CA 1.857 56.744 54.840 0.078 0.000 0.770 577 L CB -1.795 40.335 42.059 0.118 0.000 0.914 577 L HN 0.240 nan 8.230 nan 0.000 0.439 578 G N -0.109 108.722 108.800 0.052 0.000 2.443 578 G HA2 -0.144 3.817 3.960 0.001 0.000 0.219 578 G HA3 -0.144 3.817 3.960 0.001 0.000 0.219 578 G C 1.238 176.156 174.900 0.031 0.000 1.131 578 G CA 0.460 45.588 45.100 0.046 0.000 0.775 578 G HN 0.366 nan 8.290 nan 0.000 0.547 579 L N -1.338 119.894 121.223 0.015 0.000 2.667 579 L HA 0.418 4.758 4.340 0.001 0.000 0.232 579 L C 1.258 178.136 176.870 0.014 0.000 1.138 579 L CA 0.531 55.376 54.840 0.008 0.000 0.921 579 L CB -1.265 40.792 42.059 -0.004 0.000 1.180 579 L HN 0.329 nan 8.230 nan 0.000 0.487 580 G N 1.601 110.421 108.800 0.033 0.000 2.182 580 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 580 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 580 G C 0.323 175.276 174.900 0.088 0.000 1.042 580 G CA 0.305 45.466 45.100 0.102 0.000 0.775 580 G HN 0.556 nan 8.290 nan 0.000 0.501 581 V N -2.626 117.253 119.914 -0.059 0.000 3.332 581 V HA 0.653 4.774 4.120 0.001 0.000 0.305 581 V C 1.825 177.848 176.094 -0.117 0.000 1.114 581 V CA 1.238 63.435 62.300 -0.170 0.000 1.194 581 V CB 1.259 32.816 31.823 -0.444 0.000 1.027 581 V HN 2.298 nan 8.190 nan 0.000 0.492 582 G N 2.069 110.777 108.800 -0.153 0.000 2.363 582 G HA2 -0.294 3.667 3.960 0.001 0.000 0.238 582 G HA3 -0.294 3.667 3.960 0.001 0.000 0.238 582 G C 0.260 174.906 174.900 -0.424 0.000 1.062 582 G CA 0.714 45.692 45.100 -0.203 0.000 0.629 582 G HN 1.013 nan 8.290 nan 0.000 0.514 583 F N 1.424 121.373 119.950 -0.002 0.000 2.653 583 F HA 0.557 5.085 4.527 0.001 0.000 0.304 583 F C 1.147 176.882 175.800 -0.109 0.000 1.092 583 F CA -0.310 57.667 58.000 -0.038 0.000 1.279 583 F CB 0.446 39.472 39.000 0.044 0.000 1.044 583 F HN 0.042 nan 8.300 nan 0.000 0.564 584 L N 0.361 121.574 121.223 -0.016 0.000 2.352 584 L HA 0.418 4.759 4.340 0.001 0.000 0.269 584 L C -0.118 176.676 176.870 -0.127 0.000 1.034 584 L CA -0.846 53.958 54.840 -0.060 0.000 0.806 584 L CB 1.420 43.443 42.059 -0.061 0.000 1.244 584 L HN 0.021 nan 8.230 nan 0.000 0.447 585 Q N 0.046 119.783 119.800 -0.105 0.000 2.193 585 Q HA 0.383 4.724 4.340 0.001 0.000 0.246 585 Q C 0.876 176.824 176.000 -0.086 0.000 0.959 585 Q CA -0.265 55.470 55.803 -0.114 0.000 0.904 585 Q CB 1.623 30.306 28.738 -0.092 0.000 1.238 585 Q HN 0.771 nan 8.270 nan 0.000 0.469 586 A N 1.539 124.314 122.820 -0.076 0.000 1.915 586 A HA -0.350 3.970 4.320 0.001 0.000 0.220 586 A C 1.594 179.155 177.584 -0.040 0.000 1.198 586 A CA 2.718 54.723 52.037 -0.053 0.000 0.647 586 A CB -1.092 17.886 19.000 -0.037 0.000 0.825 586 A HN 1.018 nan 8.150 nan 0.000 0.456 587 D N -1.066 119.312 120.400 -0.036 0.000 2.097 587 D HA -0.228 4.413 4.640 0.001 0.000 0.195 587 D C 1.922 178.207 176.300 -0.026 0.000 0.989 587 D CA 1.535 55.519 54.000 -0.027 0.000 0.827 587 D CB -0.544 40.242 40.800 -0.023 0.000 0.966 587 D HN 0.653 nan 8.370 nan 0.000 0.456 588 Q N 0.249 120.029 119.800 -0.034 0.000 2.084 588 Q HA -0.071 4.270 4.340 0.001 0.000 0.202 588 Q C 2.457 178.435 176.000 -0.037 0.000 0.978 588 Q CA 1.448 57.232 55.803 -0.031 0.000 0.844 588 Q CB -0.265 28.452 28.738 -0.035 0.000 0.898 588 Q HN 0.496 nan 8.270 nan 0.000 0.426 589 A N 1.311 124.098 122.820 -0.055 0.000 1.929 589 A HA -0.164 4.157 4.320 0.001 0.000 0.216 589 A C 2.057 179.621 177.584 -0.034 0.000 1.176 589 A CA 1.198 53.190 52.037 -0.074 0.000 0.628 589 A CB -0.416 18.514 19.000 -0.118 0.000 0.816 589 A HN 0.225 nan 8.150 nan 0.000 0.444 590 R N -0.389 120.103 120.500 -0.015 0.000 2.088 590 R HA -0.170 4.170 4.340 0.001 0.000 0.232 590 R C 2.397 178.714 176.300 0.029 0.000 1.136 590 R CA 1.906 58.014 56.100 0.014 0.000 0.926 590 R CB -0.406 29.894 30.300 0.001 0.000 0.837 590 R HN 0.472 nan 8.270 nan 0.000 0.429 591 R N -0.016 120.492 120.500 0.014 0.000 2.159 591 R HA -0.237 4.104 4.340 0.001 0.000 0.249 591 R C 2.063 178.383 176.300 0.033 0.000 1.136 591 R CA 2.372 58.484 56.100 0.021 0.000 0.951 591 R CB -0.248 30.057 30.300 0.007 0.000 0.876 591 R HN 0.250 nan 8.270 nan 0.000 0.440 592 E N 0.013 120.223 120.200 0.018 0.000 2.204 592 E HA -0.112 4.239 4.350 0.001 0.000 0.194 592 E C 1.614 178.242 176.600 0.046 0.000 0.989 592 E CA 0.383 56.794 56.400 0.018 0.000 0.824 592 E CB -0.134 29.558 29.700 -0.013 0.000 0.756 592 E HN 0.188 nan 8.360 nan 0.000 0.477 593 L N 0.308 121.574 121.223 0.072 0.000 1.988 593 L HA -0.138 4.202 4.340 0.001 0.000 0.207 593 L C 2.114 179.108 176.870 0.207 0.000 1.071 593 L CA 1.571 56.501 54.840 0.150 0.000 0.744 593 L CB -1.082 41.093 42.059 0.193 0.000 0.893 593 L HN 0.080 nan 8.230 nan 0.000 0.433 594 V N -0.139 119.902 119.914 0.212 0.000 2.282 594 V HA -0.346 3.775 4.120 0.001 0.000 0.249 594 V C 2.568 178.788 176.094 0.210 0.000 1.057 594 V CA 2.199 64.661 62.300 0.269 0.000 1.032 594 V CB -1.107 30.837 31.823 0.201 0.000 0.645 594 V HN 0.379 nan 8.190 nan 0.000 0.447 595 K N 0.279 120.753 120.400 0.123 0.000 2.026 595 K HA -0.139 4.182 4.320 0.001 0.000 0.208 595 K C 2.368 178.989 176.600 0.035 0.000 1.048 595 K CA 2.035 58.363 56.287 0.067 0.000 0.929 595 K CB -0.617 31.908 32.500 0.042 0.000 0.713 595 K HN 0.542 nan 8.250 nan 0.000 0.439 596 T N 1.053 115.638 114.554 0.052 0.000 2.684 596 T HA -0.199 4.152 4.350 0.001 0.000 0.267 596 T C 1.962 176.675 174.700 0.022 0.000 1.036 596 T CA 1.465 63.586 62.100 0.035 0.000 1.148 596 T CB -0.371 68.535 68.868 0.063 0.000 0.863 596 T HN 0.352 nan 8.240 nan 0.000 0.436 597 A N 1.713 124.588 122.820 0.093 0.000 1.851 597 A HA -0.180 4.141 4.320 0.001 0.000 0.216 597 A C 2.262 179.726 177.584 -0.200 0.000 1.195 597 A CA 1.997 54.089 52.037 0.091 0.000 0.622 597 A CB -0.646 18.447 19.000 0.155 0.000 0.831 597 A HN 0.428 nan 8.150 nan 0.000 0.444 598 K N -0.585 119.651 120.400 -0.274 0.000 2.044 598 K HA -0.246 4.075 4.320 0.001 0.000 0.210 598 K C 2.218 178.583 176.600 -0.392 0.000 1.049 598 K CA 2.064 57.986 56.287 -0.608 0.000 0.927 598 K CB -0.171 32.181 32.500 -0.247 0.000 0.713 598 K HN 0.323 nan 8.250 nan 0.000 0.443 599 K N 1.040 121.311 120.400 -0.214 0.000 2.097 599 K HA -0.194 4.127 4.320 0.001 0.000 0.206 599 K C 1.888 178.356 176.600 -0.220 0.000 1.049 599 K CA 1.752 57.935 56.287 -0.174 0.000 0.933 599 K CB -0.089 32.349 32.500 -0.103 0.000 0.717 599 K HN 0.085 nan 8.250 nan 0.000 0.442 600 E N 0.293 120.352 120.200 -0.236 0.000 2.028 600 E HA -0.111 4.240 4.350 0.001 0.000 0.190 600 E C 1.836 178.178 176.600 -0.430 0.000 0.984 600 E CA 0.999 57.211 56.400 -0.314 0.000 0.800 600 E CB -0.423 29.126 29.700 -0.251 0.000 0.758 600 E HN 0.260 nan 8.360 nan 0.000 0.448 601 L N 0.461 121.455 121.223 -0.382 0.000 2.043 601 L HA -0.151 4.189 4.340 0.001 0.000 0.212 601 L C 2.058 178.751 176.870 -0.295 0.000 1.075 601 L CA 1.639 56.272 54.840 -0.344 0.000 0.752 601 L CB -0.571 41.245 42.059 -0.406 0.000 0.891 601 L HN 0.152 nan 8.230 nan 0.000 0.432 602 V N -0.312 119.419 119.914 -0.306 0.000 2.913 602 V HA -0.219 3.902 4.120 0.001 0.000 0.260 602 V C 2.454 178.442 176.094 -0.176 0.000 1.098 602 V CA 1.252 63.425 62.300 -0.212 0.000 1.121 602 V CB -0.665 31.042 31.823 -0.193 0.000 0.714 602 V HN 0.423 nan 8.190 nan 0.000 0.487 603 K N -0.456 119.789 120.400 -0.258 0.000 2.365 603 K HA -0.085 4.236 4.320 0.001 0.000 0.199 603 K C 1.467 178.011 176.600 -0.094 0.000 1.045 603 K CA 1.101 57.251 56.287 -0.228 0.000 0.962 603 K CB -0.026 32.273 32.500 -0.334 0.000 0.759 603 K HN 0.677 nan 8.250 nan 0.000 0.469 604 H N -1.091 117.925 119.070 -0.090 0.000 2.893 604 H HA 0.144 4.701 4.556 0.001 0.000 0.270 604 H C 1.536 176.834 175.328 -0.051 0.000 1.095 604 H CA -0.436 55.571 56.048 -0.068 0.000 1.186 604 H CB 0.596 30.313 29.762 -0.075 0.000 1.562 604 H HN 0.001 nan 8.280 nan 0.000 0.536 605 L N 1.942 123.182 121.223 0.029 0.000 2.012 605 L HA -0.113 4.228 4.340 0.001 0.000 0.210 605 L C -0.302 176.573 176.870 0.009 0.000 1.073 605 L CA 1.244 56.081 54.840 -0.005 0.000 0.748 605 L CB -1.278 40.750 42.059 -0.053 0.000 0.891 605 L HN 0.294 nan 8.230 nan 0.000 0.431 606 P HA -0.234 nan 4.420 nan 0.000 0.215 606 P C 1.457 178.791 177.300 0.058 0.000 1.153 606 P CA 1.493 64.606 63.100 0.022 0.000 0.853 606 P CB -0.052 31.650 31.700 0.002 0.000 0.788 607 Q N -0.130 119.703 119.800 0.055 0.000 2.167 607 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 607 Q C 2.106 178.170 176.000 0.107 0.000 0.970 607 Q CA 1.095 56.939 55.803 0.069 0.000 0.855 607 Q CB -0.196 28.552 28.738 0.017 0.000 0.911 607 Q HN 0.020 nan 8.270 nan 0.000 0.438 608 V N 0.686 120.653 119.914 0.090 0.000 2.379 608 V HA -0.197 3.924 4.120 0.001 0.000 0.245 608 V C 2.264 178.452 176.094 0.156 0.000 1.044 608 V CA 1.705 64.070 62.300 0.109 0.000 1.036 608 V CB -0.736 31.137 31.823 0.084 0.000 0.664 608 V HN 0.465 nan 8.190 nan 0.000 0.453 609 A N -1.007 121.876 122.820 0.106 0.000 2.067 609 A HA -0.240 4.081 4.320 0.001 0.000 0.219 609 A C 2.005 179.707 177.584 0.196 0.000 1.158 609 A CA 2.047 54.151 52.037 0.112 0.000 0.661 609 A CB -0.643 18.361 19.000 0.008 0.000 0.801 609 A HN 0.778 nan 8.150 nan 0.000 0.452 610 H N -0.495 118.624 119.070 0.083 0.000 2.287 610 H HA 0.084 4.641 4.556 0.001 0.000 0.309 610 H C 1.951 177.322 175.328 0.072 0.000 1.059 610 H CA 1.771 57.858 56.048 0.065 0.000 1.357 610 H CB -0.107 29.674 29.762 0.033 0.000 1.409 610 H HN 0.474 nan 8.280 nan 0.000 0.515 611 E N -0.277 119.958 120.200 0.059 0.000 2.077 611 E HA -0.164 4.186 4.350 0.001 0.000 0.193 611 E C 2.092 178.687 176.600 -0.008 0.000 0.989 611 E CA 1.124 57.516 56.400 -0.014 0.000 0.800 611 E CB 0.177 29.919 29.700 0.070 0.000 0.746 611 E HN 0.504 nan 8.360 nan 0.000 0.452 612 Q N -0.308 119.545 119.800 0.088 0.000 2.354 612 Q HA 0.030 4.371 4.340 0.001 0.000 0.203 612 Q C 2.120 178.071 176.000 -0.082 0.000 0.933 612 Q CA 0.407 56.254 55.803 0.073 0.000 0.901 612 Q CB 0.277 29.156 28.738 0.236 0.000 1.007 612 Q HN 0.081 nan 8.270 nan 0.000 0.495 613 S N 0.931 116.668 115.700 0.062 0.000 2.383 613 S HA -0.198 4.273 4.470 0.001 0.000 0.227 613 S C 1.871 176.457 174.600 -0.023 0.000 1.026 613 S CA 1.461 59.678 58.200 0.030 0.000 0.981 613 S CB 0.147 63.475 63.200 0.213 0.000 0.818 613 S HN 0.258 nan 8.310 nan 0.000 0.472 614 Q N 0.773 120.544 119.800 -0.047 0.000 2.224 614 Q HA 0.004 4.345 4.340 0.001 0.000 0.203 614 Q C 1.794 177.808 176.000 0.023 0.000 0.970 614 Q CA 1.573 57.353 55.803 -0.039 0.000 0.865 614 Q CB -0.368 28.292 28.738 -0.129 0.000 0.922 614 Q HN 0.454 nan 8.270 nan 0.000 0.445 615 V N -0.843 119.057 119.914 -0.023 0.000 2.453 615 V HA -0.176 3.945 4.120 0.001 0.000 0.247 615 V C 2.170 178.266 176.094 0.005 0.000 1.048 615 V CA 1.319 63.609 62.300 -0.016 0.000 1.049 615 V CB -0.483 31.310 31.823 -0.050 0.000 0.672 615 V HN 0.210 nan 8.190 nan 0.000 0.457 616 V N -0.781 119.107 119.914 -0.042 0.000 2.261 616 V HA -0.311 3.809 4.120 0.001 0.000 0.246 616 V C 2.193 178.353 176.094 0.111 0.000 1.047 616 V CA 2.504 64.825 62.300 0.035 0.000 1.015 616 V CB -0.709 31.019 31.823 -0.158 0.000 0.642 616 V HN 0.628 nan 8.190 nan 0.000 0.446 617 Y N 1.679 121.979 120.300 -0.001 0.000 2.030 617 Y HA -0.399 4.151 4.550 0.001 0.000 0.272 617 Y C 2.401 178.298 175.900 -0.004 0.000 1.185 617 Y CA 2.655 60.764 58.100 0.015 0.000 1.120 617 Y CB -0.533 37.926 38.460 -0.001 0.000 0.955 617 Y HN 0.373 nan 8.280 nan 0.000 0.495 618 N N -0.269 118.566 118.700 0.225 0.000 2.205 618 N HA -0.196 4.545 4.740 0.001 0.000 0.186 618 N C 1.881 177.272 175.510 -0.200 0.000 1.015 618 N CA 0.999 54.093 53.050 0.075 0.000 0.862 618 N CB -0.346 38.226 38.487 0.141 0.000 0.986 618 N HN 0.516 nan 8.380 nan 0.000 0.429 619 A N 0.434 123.181 122.820 -0.121 0.000 1.873 619 A HA -0.070 4.251 4.320 0.001 0.000 0.215 619 A C 2.261 179.784 177.584 -0.101 0.000 1.186 619 A CA 1.139 53.060 52.037 -0.192 0.000 0.616 619 A CB -0.710 18.352 19.000 0.102 0.000 0.823 619 A HN 0.111 nan 8.150 nan 0.000 0.442 620 V N 0.295 120.198 119.914 -0.017 0.000 2.759 620 V HA -0.199 3.922 4.120 0.001 0.000 0.256 620 V C 2.420 178.510 176.094 -0.007 0.000 1.080 620 V CA 2.153 64.458 62.300 0.008 0.000 1.101 620 V CB -0.648 31.184 31.823 0.015 0.000 0.698 620 V HN 0.636 nan 8.190 nan 0.000 0.477 621 K N 0.072 120.390 120.400 -0.136 0.000 2.044 621 K HA -0.144 4.177 4.320 0.001 0.000 0.204 621 K C 2.208 178.773 176.600 -0.059 0.000 1.049 621 K CA 1.085 57.301 56.287 -0.117 0.000 0.945 621 K CB -0.067 32.334 32.500 -0.164 0.000 0.724 621 K HN 0.277 nan 8.250 nan 0.000 0.440 622 E N 0.653 120.747 120.200 -0.177 0.000 2.338 622 E HA -0.144 4.207 4.350 0.001 0.000 0.197 622 E C 1.825 178.403 176.600 -0.036 0.000 1.007 622 E CA 0.310 56.608 56.400 -0.171 0.000 0.849 622 E CB -0.164 29.270 29.700 -0.444 0.000 0.774 622 E HN 0.344 nan 8.360 nan 0.000 0.506 623 C N -0.527 118.763 119.300 -0.016 0.000 2.473 623 C HA -0.114 4.347 4.460 0.001 0.000 0.279 623 C C 2.403 177.439 174.990 0.077 0.000 1.250 623 C CA 0.555 59.597 59.018 0.041 0.000 1.713 623 C CB -1.215 26.480 27.740 -0.076 0.000 2.066 623 C HN 0.391 nan 8.230 nan 0.000 0.474 624 F N 0.786 120.801 119.950 0.108 0.000 2.293 624 F HA -0.031 4.497 4.527 0.002 0.000 0.297 624 F C 2.236 178.078 175.800 0.070 0.000 1.089 624 F CA 1.371 59.398 58.000 0.043 0.000 1.377 624 F CB -0.642 38.248 39.000 -0.183 0.000 1.051 624 F HN 0.231 nan 8.300 nan 0.000 0.511 625 D N -0.393 120.119 120.400 0.187 0.000 2.123 625 D HA -0.179 4.462 4.640 0.001 0.000 0.196 625 D C 2.431 178.802 176.300 0.118 0.000 0.992 625 D CA 1.390 55.452 54.000 0.103 0.000 0.833 625 D CB -0.427 40.400 40.800 0.045 0.000 0.954 625 D HN 0.142 nan 8.370 nan 0.000 0.455 626 S N -0.831 114.969 115.700 0.167 0.000 2.353 626 S HA -0.220 4.251 4.470 0.001 0.000 0.222 626 S C 1.982 176.733 174.600 0.253 0.000 1.035 626 S CA 1.022 59.351 58.200 0.215 0.000 1.025 626 S CB -0.470 62.903 63.200 0.287 0.000 0.902 626 S HN 0.365 nan 8.310 nan 0.000 0.440 627 Y N 2.148 122.499 120.300 0.085 0.000 2.070 627 Y HA -0.166 4.385 4.550 0.001 0.000 0.280 627 Y C 2.608 178.438 175.900 -0.117 0.000 1.148 627 Y CA 2.394 60.361 58.100 -0.222 0.000 1.125 627 Y CB -0.460 37.812 38.460 -0.313 0.000 0.975 627 Y HN 0.261 nan 8.280 nan 0.000 0.492 628 E N 0.747 120.966 120.200 0.031 0.000 2.171 628 E HA -0.288 4.062 4.350 0.001 0.000 0.197 628 E C 2.271 178.790 176.600 -0.135 0.000 0.997 628 E CA 1.511 57.845 56.400 -0.111 0.000 0.810 628 E CB -0.248 29.429 29.700 -0.039 0.000 0.738 628 E HN 0.516 nan 8.360 nan 0.000 0.467 629 R N 0.047 120.510 120.500 -0.063 0.000 2.062 629 R HA -0.045 4.296 4.340 0.001 0.000 0.226 629 R C 2.474 178.727 176.300 -0.077 0.000 1.125 629 R CA 1.212 57.281 56.100 -0.053 0.000 0.966 629 R CB -0.123 30.175 30.300 -0.003 0.000 0.861 629 R HN 0.167 nan 8.270 nan 0.000 0.433 630 E N 0.034 120.192 120.200 -0.070 0.000 2.106 630 E HA -0.143 4.208 4.350 0.001 0.000 0.192 630 E C 1.794 178.311 176.600 -0.139 0.000 0.984 630 E CA 1.170 57.522 56.400 -0.080 0.000 0.806 630 E CB 0.267 29.966 29.700 -0.002 0.000 0.750 630 E HN 0.131 nan 8.360 nan 0.000 0.458 631 V N 0.549 120.325 119.914 -0.231 0.000 2.283 631 V HA -0.215 3.906 4.120 0.001 0.000 0.243 631 V C 2.382 178.364 176.094 -0.187 0.000 1.039 631 V CA 1.795 63.967 62.300 -0.213 0.000 1.016 631 V CB -0.513 31.083 31.823 -0.378 0.000 0.650 631 V HN 0.219 nan 8.190 nan 0.000 0.449 632 S N -0.414 115.162 115.700 -0.208 0.000 2.374 632 S HA -0.296 4.174 4.470 0.001 0.000 0.227 632 S C 2.014 176.519 174.600 -0.159 0.000 1.037 632 S CA 1.920 60.006 58.200 -0.191 0.000 1.024 632 S CB -0.364 62.741 63.200 -0.158 0.000 0.861 632 S HN 0.533 nan 8.310 nan 0.000 0.456 633 K N 1.088 121.411 120.400 -0.128 0.000 2.009 633 K HA -0.084 4.237 4.320 0.001 0.000 0.210 633 K C 2.362 178.899 176.600 -0.105 0.000 1.049 633 K CA 1.169 57.394 56.287 -0.104 0.000 0.929 633 K CB -0.137 32.307 32.500 -0.092 0.000 0.714 633 K HN 0.227 nan 8.250 nan 0.000 0.440 634 R N 0.342 120.780 120.500 -0.103 0.000 2.115 634 R HA -0.054 4.287 4.340 0.001 0.000 0.230 634 R C 2.400 178.653 176.300 -0.079 0.000 1.111 634 R CA 1.089 57.159 56.100 -0.051 0.000 0.976 634 R CB -0.208 30.103 30.300 0.018 0.000 0.870 634 R HN 0.359 nan 8.270 nan 0.000 0.445 635 I N 0.896 121.303 120.570 -0.272 0.000 2.406 635 I HA -0.211 3.960 4.170 0.001 0.000 0.249 635 I C 1.597 177.563 176.117 -0.251 0.000 1.122 635 I CA 1.123 62.084 61.300 -0.565 0.000 1.431 635 I CB -0.024 37.439 38.000 -0.895 0.000 1.087 635 I HN 0.159 nan 8.210 nan 0.000 0.424 636 N N 1.155 119.756 118.700 -0.165 0.000 2.188 636 N HA -0.182 4.559 4.740 0.001 0.000 0.184 636 N C 1.333 176.817 175.510 -0.043 0.000 1.018 636 N CA 1.421 54.420 53.050 -0.085 0.000 0.858 636 N CB -0.271 38.167 38.487 -0.081 0.000 0.989 636 N HN 0.371 nan 8.380 nan 0.000 0.426 637 D N 0.834 121.207 120.400 -0.045 0.000 2.123 637 D HA -0.158 4.483 4.640 0.001 0.000 0.196 637 D C 1.474 177.783 176.300 0.016 0.000 0.992 637 D CA 1.058 55.047 54.000 -0.018 0.000 0.833 637 D CB -0.459 40.328 40.800 -0.022 0.000 0.954 637 D HN 0.335 nan 8.370 nan 0.000 0.455 638 D N -0.185 120.241 120.400 0.043 0.000 2.084 638 D HA -0.103 4.538 4.640 0.001 0.000 0.194 638 D C 2.195 178.579 176.300 0.140 0.000 0.990 638 D CA 0.898 54.964 54.000 0.109 0.000 0.826 638 D CB -0.059 40.870 40.800 0.214 0.000 0.971 638 D HN 0.108 nan 8.370 nan 0.000 0.453 639 I N -0.173 120.486 120.570 0.148 0.000 2.127 639 I HA -0.264 3.906 4.170 0.001 0.000 0.241 639 I C 2.403 178.563 176.117 0.072 0.000 1.075 639 I CA 0.674 62.075 61.300 0.168 0.000 1.334 639 I CB -0.302 37.779 38.000 0.135 0.000 1.040 639 I HN 0.042 nan 8.210 nan 0.000 0.405 640 V N 0.121 120.044 119.914 0.015 0.000 2.332 640 V HA -0.297 3.824 4.120 0.001 0.000 0.248 640 V C 2.558 178.641 176.094 -0.019 0.000 1.055 640 V CA 2.134 64.417 62.300 -0.028 0.000 1.038 640 V CB -0.563 31.241 31.823 -0.032 0.000 0.651 640 V HN 0.377 nan 8.190 nan 0.000 0.450 641 S N -0.460 115.246 115.700 0.010 0.000 2.359 641 S HA -0.270 4.201 4.470 0.001 0.000 0.222 641 S C 2.095 176.711 174.600 0.027 0.000 1.038 641 S CA 1.996 60.205 58.200 0.014 0.000 1.051 641 S CB -0.358 62.852 63.200 0.018 0.000 0.944 641 S HN 0.530 nan 8.310 nan 0.000 0.433 642 R N 1.005 121.550 120.500 0.076 0.000 2.103 642 R HA -0.092 4.249 4.340 0.001 0.000 0.242 642 R C 2.412 178.756 176.300 0.075 0.000 1.142 642 R CA 1.468 57.652 56.100 0.140 0.000 0.960 642 R CB -0.244 30.232 30.300 0.293 0.000 0.858 642 R HN 0.370 nan 8.270 nan 0.000 0.439 643 K N -0.094 120.256 120.400 -0.084 0.000 2.057 643 K HA -0.060 4.261 4.320 0.001 0.000 0.207 643 K C 2.250 178.777 176.600 -0.123 0.000 1.049 643 K CA 1.590 57.720 56.287 -0.262 0.000 0.931 643 K CB -0.024 32.252 32.500 -0.373 0.000 0.714 643 K HN 0.055 nan 8.250 nan 0.000 0.440 644 S N 1.181 116.840 115.700 -0.069 0.000 2.368 644 S HA -0.181 4.290 4.470 0.001 0.000 0.224 644 S C 1.899 176.488 174.600 -0.019 0.000 1.029 644 S CA 1.147 59.322 58.200 -0.042 0.000 0.988 644 S CB -0.158 63.025 63.200 -0.027 0.000 0.838 644 S HN 0.386 nan 8.310 nan 0.000 0.462 645 E N 1.081 121.281 120.200 -0.000 0.000 2.118 645 E HA -0.178 4.173 4.350 0.001 0.000 0.195 645 E C 1.876 178.487 176.600 0.018 0.000 0.992 645 E CA 0.993 57.403 56.400 0.016 0.000 0.804 645 E CB -0.141 29.580 29.700 0.035 0.000 0.741 645 E HN 0.462 nan 8.360 nan 0.000 0.458 646 L N 0.606 121.839 121.223 0.015 0.000 2.068 646 L HA -0.101 4.240 4.340 0.001 0.000 0.204 646 L C 2.428 179.297 176.870 -0.002 0.000 1.076 646 L CA 0.896 55.746 54.840 0.018 0.000 0.753 646 L CB -0.389 41.689 42.059 0.033 0.000 0.910 646 L HN 0.087 nan 8.230 nan 0.000 0.439 647 D N 0.226 120.611 120.400 -0.026 0.000 2.144 647 D HA -0.173 4.468 4.640 0.001 0.000 0.199 647 D C 1.845 178.136 176.300 -0.016 0.000 0.984 647 D CA 0.988 54.970 54.000 -0.029 0.000 0.834 647 D CB -0.088 40.683 40.800 -0.049 0.000 0.955 647 D HN 0.307 nan 8.370 nan 0.000 0.465 648 N N 1.164 119.857 118.700 -0.011 0.000 2.061 648 N HA -0.158 4.583 4.740 0.001 0.000 0.193 648 N C 2.133 177.644 175.510 0.001 0.000 1.030 648 N CA 0.445 53.492 53.050 -0.004 0.000 0.856 648 N CB -0.607 37.879 38.487 -0.001 0.000 1.023 648 N HN 0.274 nan 8.380 nan 0.000 0.424 649 L N 1.131 122.358 121.223 0.006 0.000 1.989 649 L HA -0.184 4.157 4.340 0.001 0.000 0.211 649 L C 2.221 179.096 176.870 0.009 0.000 1.071 649 L CA 1.175 56.022 54.840 0.011 0.000 0.749 649 L CB -0.355 41.715 42.059 0.018 0.000 0.890 649 L HN -0.038 nan 8.230 nan 0.000 0.431 650 V N 0.058 119.976 119.914 0.005 0.000 2.252 650 V HA -0.384 3.737 4.120 0.001 0.000 0.249 650 V C 2.495 178.590 176.094 0.001 0.000 1.056 650 V CA 2.142 64.443 62.300 0.003 0.000 1.022 650 V CB -0.629 31.193 31.823 -0.003 0.000 0.641 650 V HN 0.454 nan 8.190 nan 0.000 0.445 651 K N -0.553 119.846 120.400 -0.002 0.000 2.063 651 K HA -0.256 4.065 4.320 0.001 0.000 0.208 651 K C 2.357 178.958 176.600 0.002 0.000 1.048 651 K CA 1.645 57.931 56.287 -0.002 0.000 0.928 651 K CB -0.302 32.196 32.500 -0.005 0.000 0.713 651 K HN 0.448 nan 8.250 nan 0.000 0.442 652 Q N 1.798 121.601 119.800 0.004 0.000 2.002 652 Q HA -0.221 4.120 4.340 0.001 0.000 0.204 652 Q C 1.796 177.801 176.000 0.008 0.000 0.988 652 Q CA 1.824 57.631 55.803 0.007 0.000 0.843 652 Q CB -0.051 28.693 28.738 0.011 0.000 0.908 652 Q HN 0.228 nan 8.270 nan 0.000 0.420 653 K N 0.072 120.478 120.400 0.010 0.000 2.113 653 K HA -0.200 4.121 4.320 0.001 0.000 0.208 653 K C 2.276 178.881 176.600 0.007 0.000 1.047 653 K CA 1.755 58.048 56.287 0.010 0.000 0.928 653 K CB -0.090 32.417 32.500 0.012 0.000 0.716 653 K HN 0.408 nan 8.250 nan 0.000 0.446 654 Q N -0.498 119.305 119.800 0.005 0.000 2.172 654 Q HA -0.075 4.266 4.340 0.001 0.000 0.200 654 Q C 1.645 177.647 176.000 0.003 0.000 0.964 654 Q CA 1.601 57.406 55.803 0.003 0.000 0.855 654 Q CB 0.213 28.952 28.738 0.001 0.000 0.918 654 Q HN 0.342 nan 8.270 nan 0.000 0.444 655 T N -0.419 114.137 114.554 0.003 0.000 3.234 655 T HA 0.135 4.486 4.350 0.001 0.000 0.235 655 T C 0.722 175.425 174.700 0.004 0.000 0.971 655 T CA -0.184 61.917 62.100 0.003 0.000 1.292 655 T CB 0.021 68.890 68.868 0.002 0.000 0.994 655 T HN 0.001 nan 8.240 nan 0.000 0.412 656 R N 1.577 122.080 120.500 0.006 0.000 2.637 656 R HA 0.365 4.705 4.340 0.001 0.000 0.269 656 R C -0.160 176.145 176.300 0.009 0.000 1.089 656 R CA -0.032 56.073 56.100 0.007 0.000 1.177 656 R CB 0.444 30.749 30.300 0.008 0.000 1.091 656 R HN 0.376 nan 8.270 nan 0.000 0.540 657 E N 2.134 122.339 120.200 0.009 0.000 2.199 657 E HA 0.343 4.694 4.350 0.001 0.000 0.269 657 E C -0.662 175.946 176.600 0.013 0.000 0.899 657 E CA -0.563 55.843 56.400 0.011 0.000 0.772 657 E CB 2.032 31.738 29.700 0.009 0.000 1.155 657 E HN 0.421 nan 8.360 nan 0.000 0.408 658 I N -0.632 119.947 120.570 0.016 0.000 2.730 658 I HA 0.454 4.624 4.170 0.001 0.000 0.298 658 I C -0.289 175.842 176.117 0.023 0.000 1.089 658 I CA -1.259 60.053 61.300 0.021 0.000 1.041 658 I CB 1.857 39.872 38.000 0.025 0.000 1.235 658 I HN 0.103 nan 8.210 nan 0.000 0.423 659 N N 2.986 121.701 118.700 0.026 0.000 2.402 659 N HA 0.162 4.903 4.740 0.001 0.000 0.259 659 N C 0.728 176.264 175.510 0.042 0.000 1.167 659 N CA -0.006 53.061 53.050 0.028 0.000 0.949 659 N CB 0.597 39.100 38.487 0.027 0.000 1.212 659 N HN 0.550 nan 8.380 nan 0.000 0.493 660 R N 2.142 122.666 120.500 0.039 0.000 2.117 660 R HA -0.153 4.188 4.340 0.001 0.000 0.243 660 R C 1.289 177.642 176.300 0.088 0.000 1.143 660 R CA 1.625 57.759 56.100 0.057 0.000 0.968 660 R CB 0.004 30.324 30.300 0.034 0.000 0.863 660 R HN 0.667 nan 8.270 nan 0.000 0.444 661 E N -0.941 119.292 120.200 0.055 0.000 2.076 661 E HA -0.026 4.325 4.350 0.001 0.000 0.190 661 E C 1.949 178.626 176.600 0.130 0.000 0.979 661 E CA 1.102 57.543 56.400 0.067 0.000 0.807 661 E CB 0.103 29.804 29.700 0.000 0.000 0.761 661 E HN 0.151 nan 8.360 nan 0.000 0.454 662 S N 0.734 116.485 115.700 0.086 0.000 2.359 662 S HA -0.251 4.219 4.470 0.001 0.000 0.223 662 S C 1.941 176.596 174.600 0.092 0.000 1.039 662 S CA 1.639 59.886 58.200 0.078 0.000 1.042 662 S CB -0.266 62.964 63.200 0.049 0.000 0.915 662 S HN 0.210 nan 8.310 nan 0.000 0.439 663 E N 0.807 121.061 120.200 0.091 0.000 2.085 663 E HA -0.147 4.204 4.350 0.001 0.000 0.194 663 E C 1.701 178.360 176.600 0.097 0.000 0.994 663 E CA 1.202 57.648 56.400 0.077 0.000 0.801 663 E CB -0.510 29.231 29.700 0.070 0.000 0.743 663 E HN 0.491 nan 8.360 nan 0.000 0.453 664 F N 1.071 121.026 119.950 0.009 0.000 2.120 664 F HA -0.251 4.276 4.527 0.001 0.000 0.300 664 F C 1.871 177.676 175.800 0.010 0.000 1.095 664 F CA 1.965 59.971 58.000 0.010 0.000 1.249 664 F CB -0.262 38.743 39.000 0.009 0.000 0.995 664 F HN 0.083 nan 8.300 nan 0.000 0.480 665 N N 0.297 119.121 118.700 0.207 0.000 2.216 665 N HA -0.156 4.584 4.740 0.001 0.000 0.183 665 N C 2.103 177.611 175.510 -0.003 0.000 1.017 665 N CA 1.059 54.173 53.050 0.107 0.000 0.861 665 N CB -0.535 38.041 38.487 0.149 0.000 0.986 665 N HN 0.366 nan 8.380 nan 0.000 0.428 666 R N 1.085 121.589 120.500 0.006 0.000 2.105 666 R HA -0.027 4.314 4.340 0.001 0.000 0.239 666 R C 2.038 178.308 176.300 -0.050 0.000 1.135 666 R CA 0.916 57.009 56.100 -0.012 0.000 0.967 666 R CB -0.176 30.127 30.300 0.004 0.000 0.861 666 R HN 0.178 nan 8.270 nan 0.000 0.442 667 L N 0.347 121.515 121.223 -0.093 0.000 2.179 667 L HA -0.073 4.268 4.340 0.001 0.000 0.208 667 L C 2.475 179.234 176.870 -0.185 0.000 1.096 667 L CA 0.778 55.540 54.840 -0.131 0.000 0.779 667 L CB -0.211 41.758 42.059 -0.149 0.000 0.922 667 L HN 0.051 nan 8.230 nan 0.000 0.443 668 K N 0.081 120.316 120.400 -0.274 0.000 2.103 668 K HA -0.065 4.256 4.320 0.001 0.000 0.204 668 K C 1.806 178.338 176.600 -0.113 0.000 1.052 668 K CA 0.825 56.964 56.287 -0.246 0.000 0.945 668 K CB -0.344 31.966 32.500 -0.317 0.000 0.722 668 K HN 0.278 nan 8.250 nan 0.000 0.443 669 N N 1.620 120.274 118.700 -0.077 0.000 2.104 669 N HA -0.162 4.579 4.740 0.001 0.000 0.190 669 N C 1.882 177.370 175.510 -0.036 0.000 1.024 669 N CA 0.691 53.718 53.050 -0.039 0.000 0.853 669 N CB -0.425 38.050 38.487 -0.021 0.000 1.008 669 N HN 0.130 nan 8.380 nan 0.000 0.424 670 L N 1.274 122.472 121.223 -0.043 0.000 1.990 670 L HA -0.259 4.082 4.340 0.001 0.000 0.213 670 L C 2.375 179.228 176.870 -0.029 0.000 1.072 670 L CA 1.551 56.373 54.840 -0.030 0.000 0.755 670 L CB -0.317 41.723 42.059 -0.031 0.000 0.889 670 L HN 0.275 nan 8.230 nan 0.000 0.432 671 Q N -0.672 119.102 119.800 -0.043 0.000 2.112 671 Q HA -0.316 4.025 4.340 0.001 0.000 0.206 671 Q C 2.077 178.061 176.000 -0.027 0.000 0.987 671 Q CA 2.214 57.996 55.803 -0.036 0.000 0.858 671 Q CB -0.071 28.635 28.738 -0.052 0.000 0.905 671 Q HN 0.555 nan 8.270 nan 0.000 0.420 672 E N 0.107 120.290 120.200 -0.029 0.000 2.028 672 E HA -0.183 4.167 4.350 0.001 0.000 0.191 672 E C 1.588 178.181 176.600 -0.013 0.000 0.988 672 E CA 1.151 57.539 56.400 -0.019 0.000 0.799 672 E CB 0.179 29.869 29.700 -0.017 0.000 0.755 672 E HN 0.305 nan 8.360 nan 0.000 0.447 673 D N 0.001 120.393 120.400 -0.013 0.000 2.123 673 D HA -0.154 4.487 4.640 0.001 0.000 0.196 673 D C 2.014 178.310 176.300 -0.008 0.000 0.992 673 D CA 0.896 54.891 54.000 -0.009 0.000 0.833 673 D CB -0.176 40.619 40.800 -0.008 0.000 0.954 673 D HN 0.095 nan 8.370 nan 0.000 0.455 674 V N 0.773 120.682 119.914 -0.008 0.000 2.346 674 V HA -0.141 3.980 4.120 0.001 0.000 0.244 674 V C 2.441 178.529 176.094 -0.010 0.000 1.037 674 V CA 0.670 62.966 62.300 -0.007 0.000 1.029 674 V CB -0.199 31.622 31.823 -0.004 0.000 0.663 674 V HN 0.067 nan 8.190 nan 0.000 0.454 675 I N 0.295 120.858 120.570 -0.012 0.000 2.530 675 I HA -0.220 3.950 4.170 0.001 0.000 0.257 675 I C 2.268 178.378 176.117 -0.011 0.000 1.179 675 I CA 1.399 62.691 61.300 -0.013 0.000 1.440 675 I CB -0.270 37.722 38.000 -0.013 0.000 1.087 675 I HN 0.248 nan 8.210 nan 0.000 0.440 676 A N -0.871 121.943 122.820 -0.009 0.000 1.855 676 A HA -0.171 4.150 4.320 0.001 0.000 0.213 676 A C 2.199 179.779 177.584 -0.008 0.000 1.195 676 A CA 1.021 53.053 52.037 -0.008 0.000 0.610 676 A CB -0.571 18.425 19.000 -0.006 0.000 0.837 676 A HN 0.344 nan 8.150 nan 0.000 0.444 677 Q N -0.265 119.531 119.800 -0.008 0.000 2.135 677 Q HA -0.092 4.248 4.340 0.001 0.000 0.204 677 Q C 1.956 177.950 176.000 -0.010 0.000 0.981 677 Q CA 1.177 56.975 55.803 -0.008 0.000 0.856 677 Q CB -0.478 28.257 28.738 -0.006 0.000 0.902 677 Q HN 0.649 nan 8.270 nan 0.000 0.425 678 L N -0.122 121.093 121.223 -0.014 0.000 2.012 678 L HA -0.291 4.050 4.340 0.001 0.000 0.210 678 L C 2.030 178.890 176.870 -0.017 0.000 1.073 678 L CA 1.747 56.574 54.840 -0.020 0.000 0.748 678 L CB -0.249 41.795 42.059 -0.026 0.000 0.891 678 L HN 0.391 nan 8.230 nan 0.000 0.431 679 Q N -0.559 119.234 119.800 -0.012 0.000 2.170 679 Q HA -0.241 4.099 4.340 0.001 0.000 0.203 679 Q C 2.153 178.152 176.000 -0.001 0.000 0.976 679 Q CA 1.494 57.293 55.803 -0.007 0.000 0.858 679 Q CB 0.093 28.828 28.738 -0.005 0.000 0.907 679 Q HN 0.483 nan 8.270 nan 0.000 0.433 680 K N 0.363 120.761 120.400 -0.003 0.000 2.025 680 K HA -0.107 4.214 4.320 0.001 0.000 0.207 680 K C 2.008 178.611 176.600 0.005 0.000 1.049 680 K CA 1.054 57.340 56.287 -0.002 0.000 0.933 680 K CB -0.078 32.419 32.500 -0.005 0.000 0.714 680 K HN 0.157 nan 8.250 nan 0.000 0.438 681 I N 1.456 122.028 120.570 0.002 0.000 2.163 681 I HA -0.298 3.872 4.170 0.001 0.000 0.243 681 I C 2.099 178.233 176.117 0.028 0.000 1.085 681 I CA 1.496 62.801 61.300 0.009 0.000 1.347 681 I CB -0.165 37.829 38.000 -0.010 0.000 1.044 681 I HN 0.232 nan 8.210 nan 0.000 0.408 682 E N 0.494 120.701 120.200 0.012 0.000 2.204 682 E HA -0.165 4.186 4.350 0.001 0.000 0.194 682 E C 2.277 178.924 176.600 0.078 0.000 0.989 682 E CA 1.043 57.461 56.400 0.030 0.000 0.824 682 E CB -0.099 29.599 29.700 -0.004 0.000 0.756 682 E HN 0.533 nan 8.360 nan 0.000 0.477 683 A N 1.529 124.376 122.820 0.046 0.000 1.872 683 A HA -0.011 4.309 4.320 0.001 0.000 0.214 683 A C 2.398 180.001 177.584 0.032 0.000 1.187 683 A CA 1.361 53.419 52.037 0.035 0.000 0.614 683 A CB -0.554 18.453 19.000 0.011 0.000 0.826 683 A HN 0.274 nan 8.150 nan 0.000 0.442 684 A N -1.099 121.739 122.820 0.031 0.000 1.865 684 A HA -0.188 4.133 4.320 0.001 0.000 0.217 684 A C 2.168 179.766 177.584 0.025 0.000 1.191 684 A CA 1.839 53.883 52.037 0.012 0.000 0.623 684 A CB -1.046 17.962 19.000 0.013 0.000 0.826 684 A HN 0.749 nan 8.150 nan 0.000 0.444 685 Y N 0.572 120.846 120.300 -0.042 0.000 2.097 685 Y HA -0.227 4.324 4.550 0.001 0.000 0.282 685 Y C 2.958 178.834 175.900 -0.040 0.000 1.152 685 Y CA 2.079 60.156 58.100 -0.038 0.000 1.136 685 Y CB -0.582 37.862 38.460 -0.026 0.000 0.975 685 Y HN 0.302 nan 8.280 nan 0.000 0.498 686 S N 0.057 115.842 115.700 0.142 0.000 2.365 686 S HA -0.286 4.185 4.470 0.001 0.000 0.225 686 S C 1.673 176.245 174.600 -0.048 0.000 1.039 686 S CA 2.095 60.332 58.200 0.062 0.000 1.033 686 S CB -0.636 62.617 63.200 0.088 0.000 0.887 686 S HN 0.733 nan 8.310 nan 0.000 0.447 687 N N 0.817 119.483 118.700 -0.057 0.000 2.120 687 N HA -0.017 4.724 4.740 0.001 0.000 0.188 687 N C 1.857 177.278 175.510 -0.147 0.000 1.024 687 N CA 1.040 54.044 53.050 -0.077 0.000 0.852 687 N CB -0.207 38.234 38.487 -0.077 0.000 1.003 687 N HN 0.251 nan 8.380 nan 0.000 0.424 688 L N 0.767 121.843 121.223 -0.245 0.000 1.955 688 L HA -0.161 4.180 4.340 0.001 0.000 0.213 688 L C 2.197 178.740 176.870 -0.545 0.000 1.072 688 L CA 1.499 56.078 54.840 -0.435 0.000 0.755 688 L CB -0.495 41.306 42.059 -0.430 0.000 0.888 688 L HN 0.248 nan 8.230 nan 0.000 0.432 689 L N 0.175 121.142 121.223 -0.426 0.000 2.127 689 L HA -0.185 4.155 4.340 0.001 0.000 0.211 689 L C 2.565 179.391 176.870 -0.073 0.000 1.089 689 L CA 1.955 56.642 54.840 -0.253 0.000 0.757 689 L CB -0.632 41.258 42.059 -0.281 0.000 0.899 689 L HN 0.302 nan 8.230 nan 0.000 0.434 690 A N -1.973 120.826 122.820 -0.035 0.000 1.970 690 A HA -0.227 4.094 4.320 0.001 0.000 0.216 690 A C 2.243 179.947 177.584 0.201 0.000 1.170 690 A CA 1.290 53.396 52.037 0.115 0.000 0.645 690 A CB -0.945 18.113 19.000 0.097 0.000 0.816 690 A HN 0.589 nan 8.150 nan 0.000 0.447 691 Y N -0.876 119.383 120.300 -0.069 0.000 2.181 691 Y HA -0.285 4.266 4.550 0.001 0.000 0.288 691 Y C 2.177 178.147 175.900 0.116 0.000 1.146 691 Y CA 2.006 60.047 58.100 -0.098 0.000 1.164 691 Y CB -0.301 37.972 38.460 -0.312 0.000 0.982 691 Y HN 0.434 nan 8.280 nan 0.000 0.515 692 Y N -1.574 118.670 120.300 -0.092 0.000 2.200 692 Y HA -0.263 4.288 4.550 0.001 0.000 0.290 692 Y C 2.997 178.848 175.900 -0.082 0.000 1.137 692 Y CA 0.585 58.602 58.100 -0.139 0.000 1.163 692 Y CB -0.443 37.980 38.460 -0.061 0.000 0.988 692 Y HN 0.149 nan 8.280 nan 0.000 0.518 693 S N -0.718 115.056 115.700 0.124 0.000 2.399 693 S HA -0.183 4.288 4.470 0.001 0.000 0.231 693 S C 1.317 175.813 174.600 -0.174 0.000 1.022 693 S CA 1.160 59.340 58.200 -0.034 0.000 0.983 693 S CB -0.345 62.811 63.200 -0.073 0.000 0.803 693 S HN 0.465 nan 8.310 nan 0.000 0.480 694 H N -0.791 118.321 119.070 0.070 0.000 2.549 694 H HA 0.298 4.855 4.556 0.001 0.000 0.279 694 H C -0.118 175.052 175.328 -0.263 0.000 1.018 694 H CA 0.166 56.195 56.048 -0.032 0.000 1.175 694 H CB 0.237 30.000 29.762 0.002 0.000 1.485 694 H HN 0.468 nan 8.280 nan 0.000 0.543 695 H N 0.000 119.002 119.070 -0.113 0.000 2.539 695 H HA 0.000 4.557 4.556 0.001 0.000 0.296 695 H CA 0.000 55.940 56.048 -0.181 0.000 1.023 695 H CB 0.000 29.491 29.762 -0.452 0.000 1.292 695 H HN 0.000 nan 8.280 nan 0.000 0.496