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 1d8w_1_C DATA FIRST_RESID 11 DATA SEQUENCE TQLEQAWELA KQRFAAVGID VEEALRQLDR LPVSXHCWQG DDVSGFEXXX DATA SEQUENCE XXXXXXXXXX XXYPGKARNA SELRADLEQA XRLIPGPKRL NLHAIYLESD DATA SEQUENCE TPVSRDQIKP EHFKNWVEWA KANQLGLDFN PSCFSHPLSA DGFTLSHADD DATA SEQUENCE SIRQFWIDHC KASRRVSAYF GEQLGTPSVX NIWIPDGXKD ITVDRLAPRQ DATA SEQUENCE RLLAALDEVI SEKLNPAHHI DAVESKLFGI GAESYTVGSN EFYXGYATSR DATA SEQUENCE QTALCLDAGH FHPTEVISDK ISAAXLYVPQ LLLHVSRPVR WDSDHVVLLD DATA SEQUENCE DETQAIASEI VRHDLFDRVH IGLDFFDASI NRIAAWVIGT RNXKKALLRA DATA SEQUENCE LLEPTAELRK LEAPGDYTAR LALLEEQKSL PWQAVWEXYC QRHDTPAGSE DATA SEQUENCE WLESVRAYEK EILSRR 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.721 174.700 0.035 0.000 1.109 11 T CA 0.000 62.113 62.100 0.022 0.000 1.349 11 T CB 0.000 68.880 68.868 0.021 0.000 0.612 12 Q N 0.974 120.792 119.800 0.029 0.000 2.045 12 Q HA -0.078 4.262 4.340 -0.001 0.000 0.206 12 Q C 2.181 178.212 176.000 0.053 0.000 0.991 12 Q CA 1.890 57.715 55.803 0.036 0.000 0.851 12 Q CB -0.274 28.480 28.738 0.027 0.000 0.911 12 Q HN 0.503 nan 8.270 nan 0.000 0.418 13 L N 0.865 122.115 121.223 0.046 0.000 2.012 13 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 13 L C 2.480 179.413 176.870 0.105 0.000 1.073 13 L CA 1.857 56.733 54.840 0.060 0.000 0.748 13 L CB -0.196 41.874 42.059 0.018 0.000 0.891 13 L HN 0.204 nan 8.230 nan 0.000 0.431 14 E N -0.202 120.044 120.200 0.078 0.000 2.072 14 E HA -0.267 4.083 4.350 -0.001 0.000 0.191 14 E C 2.102 178.817 176.600 0.193 0.000 0.985 14 E CA 1.648 58.125 56.400 0.128 0.000 0.801 14 E CB -0.199 29.538 29.700 0.063 0.000 0.750 14 E HN 0.579 nan 8.360 nan 0.000 0.452 15 Q N -0.185 119.687 119.800 0.120 0.000 2.050 15 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 15 Q C 2.262 178.328 176.000 0.110 0.000 0.980 15 Q CA 1.676 57.539 55.803 0.099 0.000 0.840 15 Q CB -0.322 28.453 28.738 0.062 0.000 0.898 15 Q HN 0.431 nan 8.270 nan 0.000 0.424 16 A N 1.040 123.931 122.820 0.118 0.000 1.933 16 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 16 A C 1.758 179.442 177.584 0.167 0.000 1.175 16 A CA 1.133 53.237 52.037 0.111 0.000 0.628 16 A CB -1.150 17.912 19.000 0.102 0.000 0.814 16 A HN 0.747 nan 8.150 nan 0.000 0.444 17 W N 0.774 122.098 121.300 0.040 0.000 2.358 17 W HA -0.144 4.515 4.660 -0.001 0.000 0.303 17 W C 1.634 178.192 176.519 0.065 0.000 1.208 17 W CA 1.856 59.236 57.345 0.059 0.000 1.274 17 W CB -0.130 29.357 29.460 0.045 0.000 1.138 17 W HN 0.365 nan 8.180 nan 0.000 0.515 18 E N 1.003 121.243 120.200 0.066 0.000 2.072 18 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 18 E C 2.338 178.869 176.600 -0.114 0.000 0.985 18 E CA 1.385 57.736 56.400 -0.082 0.000 0.801 18 E CB -0.769 28.966 29.700 0.059 0.000 0.750 18 E HN 0.428 nan 8.360 nan 0.000 0.452 19 L N 0.311 121.506 121.223 -0.046 0.000 2.046 19 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 19 L C 2.572 179.392 176.870 -0.083 0.000 1.077 19 L CA 1.241 56.050 54.840 -0.052 0.000 0.747 19 L CB -0.541 41.503 42.059 -0.024 0.000 0.896 19 L HN 0.058 nan 8.230 nan 0.000 0.432 20 A N 0.238 123.012 122.820 -0.077 0.000 1.902 20 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 20 A C 2.399 179.961 177.584 -0.036 0.000 1.181 20 A CA 2.082 54.103 52.037 -0.026 0.000 0.623 20 A CB -0.504 18.550 19.000 0.091 0.000 0.818 20 A HN 0.369 nan 8.150 nan 0.000 0.443 21 K N -0.320 119.903 120.400 -0.295 0.000 2.063 21 K HA -0.247 4.073 4.320 -0.001 0.000 0.208 21 K C 2.187 178.716 176.600 -0.117 0.000 1.048 21 K CA 1.871 57.962 56.287 -0.326 0.000 0.928 21 K CB -0.251 31.900 32.500 -0.582 0.000 0.713 21 K HN 0.667 nan 8.250 nan 0.000 0.442 22 Q N -0.207 119.526 119.800 -0.112 0.000 2.050 22 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 22 Q C 2.282 178.243 176.000 -0.064 0.000 0.980 22 Q CA 0.976 56.738 55.803 -0.068 0.000 0.840 22 Q CB -0.088 28.612 28.738 -0.062 0.000 0.898 22 Q HN 0.201 nan 8.270 nan 0.000 0.424 23 R N 0.264 120.700 120.500 -0.106 0.000 2.083 23 R HA -0.119 4.220 4.340 -0.001 0.000 0.237 23 R C 2.083 178.261 176.300 -0.203 0.000 1.137 23 R CA 1.358 57.344 56.100 -0.189 0.000 0.951 23 R CB -0.691 29.421 30.300 -0.312 0.000 0.851 23 R HN 0.275 nan 8.270 nan 0.000 0.434 24 F N 0.655 120.568 119.950 -0.061 0.000 2.234 24 F HA -0.062 4.464 4.527 -0.001 0.000 0.299 24 F C 2.506 178.282 175.800 -0.041 0.000 1.087 24 F CA 1.011 58.985 58.000 -0.042 0.000 1.340 24 F CB -0.654 38.316 39.000 -0.051 0.000 1.031 24 F HN 0.069 nan 8.300 nan 0.000 0.500 25 A N 0.088 122.971 122.820 0.106 0.000 1.940 25 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 25 A C 2.400 180.002 177.584 0.030 0.000 1.176 25 A CA 1.711 53.778 52.037 0.050 0.000 0.631 25 A CB -1.292 17.715 19.000 0.011 0.000 0.814 25 A HN 0.289 nan 8.150 nan 0.000 0.446 26 A N -0.437 122.385 122.820 0.004 0.000 2.125 26 A HA 0.085 4.404 4.320 -0.001 0.000 0.219 26 A C 1.816 179.401 177.584 0.002 0.000 1.156 26 A CA 1.728 53.759 52.037 -0.010 0.000 0.671 26 A CB -0.713 18.267 19.000 -0.033 0.000 0.794 26 A HN 1.328 nan 8.150 nan 0.000 0.459 27 V N -4.168 115.762 119.914 0.027 0.000 3.121 27 V HA 0.586 4.706 4.120 -0.001 0.000 0.344 27 V C 0.857 176.989 176.094 0.062 0.000 1.390 27 V CA 0.638 62.962 62.300 0.040 0.000 1.177 27 V CB -0.762 31.081 31.823 0.034 0.000 1.163 27 V HN 1.462 nan 8.190 nan 0.000 0.484 28 G N 1.309 110.143 108.800 0.057 0.000 2.147 28 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.244 28 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.244 28 G C -0.229 174.710 174.900 0.065 0.000 1.005 28 G CA 0.408 45.538 45.100 0.050 0.000 0.713 28 G HN 0.556 nan 8.290 nan 0.000 0.515 29 I N 0.889 121.522 120.570 0.106 0.000 2.378 29 I HA 0.345 4.514 4.170 -0.001 0.000 0.291 29 I C -0.572 175.579 176.117 0.057 0.000 0.992 29 I CA -1.151 60.202 61.300 0.088 0.000 1.154 29 I CB 1.715 39.807 38.000 0.153 0.000 1.315 29 I HN 0.114 nan 8.210 nan 0.000 0.448 30 D N 6.074 126.481 120.400 0.012 0.000 2.380 30 D HA 0.137 4.777 4.640 -0.001 0.000 0.230 30 D C 1.187 177.471 176.300 -0.027 0.000 1.154 30 D CA -0.420 53.581 54.000 0.002 0.000 0.859 30 D CB 1.422 42.231 40.800 0.015 0.000 1.045 30 D HN 0.373 nan 8.370 nan 0.000 0.495 31 V N 2.354 122.225 119.914 -0.071 0.000 2.490 31 V HA -0.139 3.981 4.120 -0.001 0.000 0.250 31 V C 1.691 177.866 176.094 0.135 0.000 1.061 31 V CA 1.158 63.408 62.300 -0.085 0.000 1.064 31 V CB -0.403 31.241 31.823 -0.299 0.000 0.670 31 V HN 0.388 nan 8.190 nan 0.000 0.461 32 E N 0.540 120.845 120.200 0.175 0.000 2.106 32 E HA -0.202 4.147 4.350 -0.001 0.000 0.192 32 E C 2.195 178.883 176.600 0.147 0.000 0.984 32 E CA 1.579 58.133 56.400 0.257 0.000 0.806 32 E CB -0.117 29.710 29.700 0.211 0.000 0.750 32 E HN 0.780 nan 8.360 nan 0.000 0.458 33 E N 1.245 121.494 120.200 0.081 0.000 2.077 33 E HA -0.106 4.244 4.350 -0.001 0.000 0.193 33 E C 1.881 178.509 176.600 0.047 0.000 0.989 33 E CA 1.336 57.764 56.400 0.048 0.000 0.800 33 E CB -0.249 29.464 29.700 0.021 0.000 0.746 33 E HN 0.179 nan 8.360 nan 0.000 0.452 34 A N 0.683 123.526 122.820 0.038 0.000 1.908 34 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 34 A C 2.311 179.926 177.584 0.052 0.000 1.181 34 A CA 1.577 53.627 52.037 0.021 0.000 0.627 34 A CB -0.806 18.172 19.000 -0.036 0.000 0.818 34 A HN 0.351 nan 8.150 nan 0.000 0.445 35 L N -1.249 120.045 121.223 0.118 0.000 2.046 35 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 35 L C 2.858 179.843 176.870 0.191 0.000 1.077 35 L CA 1.622 56.566 54.840 0.173 0.000 0.747 35 L CB -0.615 41.623 42.059 0.299 0.000 0.896 35 L HN 0.381 nan 8.230 nan 0.000 0.432 36 R N -0.375 120.206 120.500 0.134 0.000 2.096 36 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 36 R C 2.379 178.729 176.300 0.084 0.000 1.127 36 R CA 1.052 57.214 56.100 0.102 0.000 0.968 36 R CB -0.199 30.130 30.300 0.049 0.000 0.861 36 R HN 0.442 nan 8.270 nan 0.000 0.440 37 Q N 0.400 120.237 119.800 0.063 0.000 2.167 37 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 37 Q C 2.134 178.239 176.000 0.175 0.000 0.970 37 Q CA 0.863 56.713 55.803 0.079 0.000 0.855 37 Q CB -0.169 28.633 28.738 0.106 0.000 0.911 37 Q HN 0.212 nan 8.270 nan 0.000 0.438 38 L N 1.634 122.915 121.223 0.098 0.000 2.131 38 L HA -0.130 4.210 4.340 -0.001 0.000 0.210 38 L C 1.172 178.130 176.870 0.145 0.000 1.092 38 L CA 1.720 56.575 54.840 0.025 0.000 0.759 38 L CB -0.406 41.485 42.059 -0.281 0.000 0.903 38 L HN 0.010 nan 8.230 nan 0.000 0.435 39 D N -0.533 120.010 120.400 0.238 0.000 2.378 39 D HA -0.061 4.579 4.640 -0.001 0.000 0.227 39 D C 1.668 178.068 176.300 0.166 0.000 1.012 39 D CA 0.568 54.724 54.000 0.260 0.000 0.905 39 D CB 0.044 41.004 40.800 0.267 0.000 0.895 39 D HN 0.401 nan 8.370 nan 0.000 0.532 40 R N -0.351 120.250 120.500 0.167 0.000 2.359 40 R HA 0.266 4.605 4.340 -0.001 0.000 0.231 40 R C 0.190 176.623 176.300 0.221 0.000 0.913 40 R CA 0.007 56.210 56.100 0.172 0.000 1.075 40 R CB 0.666 31.062 30.300 0.160 0.000 1.087 40 R HN 0.021 nan 8.270 nan 0.000 0.515 41 L N 2.007 123.326 121.223 0.160 0.000 2.495 41 L HA 0.378 4.718 4.340 -0.001 0.000 0.248 41 L C -2.438 174.458 176.870 0.043 0.000 1.229 41 L CA -2.048 52.838 54.840 0.077 0.000 0.942 41 L CB 1.382 43.453 42.059 0.019 0.000 1.242 41 L HN -0.218 nan 8.230 nan 0.000 0.484 42 P HA 0.119 nan 4.420 nan 0.000 0.272 42 P C -0.615 176.692 177.300 0.011 0.000 1.230 42 P CA -0.150 62.965 63.100 0.025 0.000 0.788 42 P CB 1.180 32.895 31.700 0.025 0.000 0.949 43 V N 1.619 121.535 119.914 0.002 0.000 2.448 43 V HA 0.322 4.442 4.120 -0.001 0.000 0.295 43 V C 0.561 176.644 176.094 -0.018 0.000 1.025 43 V CA -0.296 62.003 62.300 -0.001 0.000 0.859 43 V CB 1.475 33.300 31.823 0.003 0.000 0.988 43 V HN 0.579 nan 8.190 nan 0.000 0.431 47 C N 1.169 120.164 119.300 -0.508 0.000 2.422 47 C HA -0.083 4.377 4.460 -0.001 0.000 0.279 47 C C 2.307 177.185 174.990 -0.186 0.000 1.305 47 C CA 0.726 59.565 59.018 -0.298 0.000 1.757 47 C CB -1.903 25.524 27.740 -0.521 0.000 1.962 47 C HN 0.887 nan 8.230 nan 0.000 0.499 48 W N 2.091 123.217 121.300 -0.289 0.000 2.468 48 W HA -0.013 4.647 4.660 -0.001 0.000 0.262 48 W C 2.120 178.501 176.519 -0.229 0.000 1.241 48 W CA 0.982 58.193 57.345 -0.222 0.000 1.232 48 W CB -1.026 28.322 29.460 -0.188 0.000 1.124 48 W HN 0.332 nan 8.180 nan 0.000 0.597 49 Q N 1.717 121.196 119.800 -0.535 0.000 2.291 49 Q HA 0.024 4.363 4.340 -0.001 0.000 0.205 49 Q C 2.238 177.988 176.000 -0.416 0.000 0.970 49 Q CA 2.284 57.804 55.803 -0.471 0.000 0.876 49 Q CB -0.872 27.110 28.738 -1.259 0.000 0.935 49 Q HN 0.381 nan 8.270 nan 0.000 0.455 50 G N 0.191 108.804 108.800 -0.312 0.000 2.464 50 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.217 50 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.217 50 G C 0.467 175.452 174.900 0.141 0.000 1.138 50 G CA 0.844 45.882 45.100 -0.104 0.000 0.793 50 G HN 0.593 nan 8.290 nan 0.000 0.539 51 D N -0.611 119.917 120.400 0.213 0.000 2.740 51 D HA 0.104 4.743 4.640 -0.001 0.000 0.301 51 D C -0.430 175.987 176.300 0.195 0.000 1.408 51 D CA -0.464 53.682 54.000 0.243 0.000 0.808 51 D CB -0.463 40.535 40.800 0.329 0.000 1.128 51 D HN 0.028 nan 8.370 nan 0.000 0.465 52 D N 0.801 121.318 120.400 0.195 0.000 2.686 52 D HA -0.177 4.463 4.640 -0.001 0.000 0.235 52 D C 0.971 177.176 176.300 -0.157 0.000 1.160 52 D CA 0.969 55.035 54.000 0.110 0.000 0.645 52 D CB -1.709 39.327 40.800 0.395 0.000 1.039 52 D HN 0.349 nan 8.370 nan 0.000 0.423 53 V N -2.479 117.362 119.914 -0.122 0.000 3.525 53 V HA -0.392 3.728 4.120 -0.001 0.000 0.200 53 V C 2.079 178.192 176.094 0.031 0.000 0.451 53 V CA 1.760 64.052 62.300 -0.014 0.000 1.037 53 V CB -2.393 29.253 31.823 -0.295 0.000 1.164 53 V HN 0.435 nan 8.190 nan 0.000 1.195 54 S N -0.333 115.384 115.700 0.029 0.000 2.355 54 S HA 0.347 4.816 4.470 -0.001 0.000 0.222 54 S C 1.469 175.928 174.600 -0.236 0.000 1.031 54 S CA 1.526 59.703 58.200 -0.039 0.000 0.993 54 S CB -0.014 63.203 63.200 0.029 0.000 0.859 54 S HN 2.335 nan 8.310 nan 0.000 0.453 55 G N 0.851 109.254 108.800 -0.661 0.000 2.760 55 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.246 55 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.246 55 G C -0.394 174.103 174.900 -0.671 0.000 1.359 55 G CA -0.298 44.027 45.100 -1.292 0.000 0.861 55 G HN 0.278 nan 8.290 nan 0.000 0.541 56 F N 1.421 121.224 119.950 -0.244 0.000 2.735 56 F HA 0.356 4.882 4.527 -0.001 0.000 0.304 56 F C 1.356 177.120 175.800 -0.059 0.000 1.119 56 F CA -0.669 57.279 58.000 -0.086 0.000 1.280 56 F CB 0.088 39.079 39.000 -0.015 0.000 0.994 56 F HN 0.501 nan 8.300 nan 0.000 0.520 74 P HA 0.505 nan 4.420 nan 0.000 0.274 74 P C 0.349 177.649 177.300 -0.000 0.000 1.256 74 P CA 0.889 63.901 63.100 -0.148 0.000 0.795 74 P CB 0.892 32.443 31.700 -0.248 0.000 1.038 75 G N -0.486 108.335 108.800 0.035 0.000 2.141 75 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.242 75 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.242 75 G C 0.138 175.120 174.900 0.136 0.000 0.982 75 G CA 0.311 45.462 45.100 0.084 0.000 0.662 75 G HN 0.933 nan 8.290 nan 0.000 0.527 76 K N 0.240 120.725 120.400 0.142 0.000 2.380 76 K HA 0.638 4.958 4.320 -0.001 0.000 0.267 76 K C 0.718 177.419 176.600 0.168 0.000 0.990 76 K CA 0.046 56.431 56.287 0.164 0.000 0.946 76 K CB 0.774 33.374 32.500 0.168 0.000 0.937 76 K HN 1.055 nan 8.250 nan 0.000 0.491 77 A N 2.374 125.322 122.820 0.212 0.000 2.462 77 A HA 0.117 4.436 4.320 -0.001 0.000 0.243 77 A C 0.328 178.053 177.584 0.236 0.000 1.076 77 A CA -0.455 51.724 52.037 0.237 0.000 0.773 77 A CB 0.173 19.365 19.000 0.320 0.000 1.010 77 A HN 0.917 nan 8.150 nan 0.000 0.493 78 R N 0.698 121.311 120.500 0.187 0.000 2.404 78 R HA 0.145 4.485 4.340 -0.001 0.000 0.237 78 R C 0.094 176.486 176.300 0.153 0.000 0.907 78 R CA 0.546 56.745 56.100 0.166 0.000 1.063 78 R CB 0.180 30.536 30.300 0.094 0.000 1.134 78 R HN 0.958 nan 8.270 nan 0.000 0.529 79 N N -1.850 116.905 118.700 0.091 0.000 3.106 79 N HA 0.212 4.952 4.740 -0.001 0.000 0.253 79 N C 0.190 175.457 175.510 -0.404 0.000 1.506 79 N CA -0.308 52.586 53.050 -0.260 0.000 0.876 79 N CB 1.038 39.363 38.487 -0.270 0.000 1.452 79 N HN -0.166 nan 8.380 nan 0.000 0.542 80 A N 0.741 122.933 122.820 -1.046 0.000 1.908 80 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 80 A C 2.251 179.626 177.584 -0.348 0.000 1.181 80 A CA 2.409 54.069 52.037 -0.628 0.000 0.627 80 A CB -1.060 17.498 19.000 -0.737 0.000 0.818 80 A HN 0.656 nan 8.150 nan 0.000 0.445 81 S N -0.893 114.622 115.700 -0.309 0.000 2.368 81 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 81 S C 1.959 176.511 174.600 -0.080 0.000 1.030 81 S CA 1.587 59.665 58.200 -0.204 0.000 0.999 81 S CB -0.293 62.817 63.200 -0.150 0.000 0.844 81 S HN 0.681 nan 8.310 nan 0.000 0.459 82 E N 0.136 120.326 120.200 -0.018 0.000 2.107 82 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 82 E C 2.039 178.745 176.600 0.178 0.000 0.982 82 E CA 0.831 57.286 56.400 0.092 0.000 0.809 82 E CB -0.183 29.580 29.700 0.105 0.000 0.756 82 E HN 0.306 nan 8.360 nan 0.000 0.459 83 L N 1.437 122.790 121.223 0.217 0.000 2.046 83 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 83 L C 2.138 179.130 176.870 0.202 0.000 1.077 83 L CA 1.713 56.767 54.840 0.356 0.000 0.747 83 L CB -0.179 42.245 42.059 0.609 0.000 0.896 83 L HN -0.075 nan 8.230 nan 0.000 0.432 84 R N -0.721 119.754 120.500 -0.042 0.000 2.096 84 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 84 R C 2.235 178.541 176.300 0.010 0.000 1.127 84 R CA 1.206 57.137 56.100 -0.283 0.000 0.968 84 R CB -0.626 29.191 30.300 -0.804 0.000 0.861 84 R HN 0.522 nan 8.270 nan 0.000 0.440 85 A N 1.513 124.382 122.820 0.081 0.000 1.902 85 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 85 A C 1.492 179.193 177.584 0.194 0.000 1.181 85 A CA 1.814 53.957 52.037 0.177 0.000 0.623 85 A CB -0.349 18.796 19.000 0.242 0.000 0.818 85 A HN 0.163 nan 8.150 nan 0.000 0.443 86 D N 0.063 120.627 120.400 0.273 0.000 2.097 86 D HA -0.108 4.532 4.640 -0.001 0.000 0.195 86 D C 1.939 178.364 176.300 0.208 0.000 0.989 86 D CA 1.041 55.239 54.000 0.331 0.000 0.827 86 D CB -0.403 40.700 40.800 0.506 0.000 0.966 86 D HN 0.440 nan 8.370 nan 0.000 0.456 87 L N 0.842 122.123 121.223 0.097 0.000 2.012 87 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 87 L C 2.335 179.200 176.870 -0.009 0.000 1.073 87 L CA 1.358 56.108 54.840 -0.151 0.000 0.748 87 L CB -0.417 41.587 42.059 -0.091 0.000 0.891 87 L HN 0.042 nan 8.230 nan 0.000 0.431 88 E N -0.629 119.649 120.200 0.131 0.000 2.085 88 E HA -0.248 4.101 4.350 -0.001 0.000 0.194 88 E C 2.299 178.879 176.600 -0.034 0.000 0.994 88 E CA 0.939 57.392 56.400 0.088 0.000 0.801 88 E CB -0.089 29.701 29.700 0.151 0.000 0.743 88 E HN 0.469 nan 8.360 nan 0.000 0.453 89 Q N 0.401 120.129 119.800 -0.120 0.000 2.084 89 Q HA -0.043 4.297 4.340 -0.001 0.000 0.202 89 Q C 1.200 177.142 176.000 -0.096 0.000 0.978 89 Q CA 0.902 56.571 55.803 -0.222 0.000 0.844 89 Q CB -0.375 27.988 28.738 -0.626 0.000 0.898 89 Q HN 0.183 nan 8.270 nan 0.000 0.426 93 L N 1.043 122.228 121.223 -0.063 0.000 2.693 93 L HA 0.455 4.795 4.340 -0.001 0.000 0.235 93 L C -0.027 176.758 176.870 -0.143 0.000 1.127 93 L CA 0.319 55.115 54.840 -0.073 0.000 0.914 93 L CB 0.625 42.639 42.059 -0.075 0.000 1.193 93 L HN -0.013 nan 8.230 nan 0.000 0.502 94 I N 1.888 122.384 120.570 -0.123 0.000 2.418 94 I HA 0.330 4.500 4.170 -0.001 0.000 0.287 94 I C -2.366 173.671 176.117 -0.133 0.000 1.008 94 I CA -1.894 59.345 61.300 -0.100 0.000 1.104 94 I CB 2.374 40.322 38.000 -0.087 0.000 1.264 94 I HN -0.205 nan 8.210 nan 0.000 0.438 95 P HA 0.371 nan 4.420 nan 0.000 0.284 95 P C 0.171 177.162 177.300 -0.515 0.000 1.253 95 P CA 0.411 63.261 63.100 -0.416 0.000 0.800 95 P CB 1.404 32.800 31.700 -0.507 0.000 0.961 96 G N 3.438 111.580 108.800 -1.096 0.000 2.728 96 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.294 96 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.294 96 G C -2.962 171.814 174.900 -0.207 0.000 1.342 96 G CA -0.854 43.831 45.100 -0.691 0.000 0.866 96 G HN 0.585 nan 8.290 nan 0.000 0.534 97 P HA 0.303 nan 4.420 nan 0.000 0.268 97 P C -0.593 176.686 177.300 -0.036 0.000 1.205 97 P CA 0.429 63.514 63.100 -0.025 0.000 0.771 97 P CB 0.927 32.642 31.700 0.025 0.000 0.858 98 K N 2.436 122.801 120.400 -0.058 0.000 2.512 98 K HA 0.648 4.968 4.320 -0.001 0.000 0.263 98 K C -0.293 176.265 176.600 -0.069 0.000 0.966 98 K CA -0.960 55.285 56.287 -0.069 0.000 0.851 98 K CB 2.494 34.931 32.500 -0.105 0.000 1.395 98 K HN 0.420 nan 8.250 nan 0.000 0.440 99 R N -0.025 120.436 120.500 -0.064 0.000 2.888 99 R HA 0.599 4.938 4.340 -0.001 0.000 0.264 99 R C -1.146 175.108 176.300 -0.076 0.000 1.045 99 R CA -1.170 54.898 56.100 -0.055 0.000 0.962 99 R CB 1.316 31.606 30.300 -0.017 0.000 1.210 99 R HN 0.478 nan 8.270 nan 0.000 0.479 100 L N 1.090 122.278 121.223 -0.059 0.000 2.362 100 L HA 0.486 4.825 4.340 -0.001 0.000 0.275 100 L C -1.333 175.489 176.870 -0.081 0.000 0.998 100 L CA -0.464 54.323 54.840 -0.088 0.000 0.820 100 L CB 1.765 43.821 42.059 -0.004 0.000 1.270 100 L HN 0.491 nan 8.230 nan 0.000 0.415 101 N N 4.876 123.515 118.700 -0.101 0.000 2.469 101 N HA 0.474 5.214 4.740 -0.001 0.000 0.253 101 N C -1.491 174.016 175.510 -0.004 0.000 0.970 101 N CA -0.185 52.863 53.050 -0.003 0.000 0.940 101 N CB 0.669 39.163 38.487 0.013 0.000 1.128 101 N HN 0.668 nan 8.380 nan 0.000 0.503 102 L N 2.682 123.936 121.223 0.052 0.000 2.322 102 L HA 0.385 4.725 4.340 -0.001 0.000 0.279 102 L C 0.432 177.327 176.870 0.040 0.000 1.036 102 L CA -0.803 54.054 54.840 0.027 0.000 0.807 102 L CB 1.274 43.392 42.059 0.099 0.000 1.226 102 L HN 0.437 nan 8.230 nan 0.000 0.433 103 H N 0.828 119.946 119.070 0.080 0.000 2.502 103 H HA 0.275 4.830 4.556 -0.001 0.000 0.338 103 H C 0.444 175.916 175.328 0.241 0.000 1.155 103 H CA 0.013 56.084 56.048 0.039 0.000 1.237 103 H CB 2.323 32.217 29.762 0.220 0.000 1.534 103 H HN 0.771 nan 8.280 nan 0.000 0.523 104 A N 3.702 126.611 122.820 0.148 0.000 2.024 104 A HA -0.158 4.162 4.320 -0.001 0.000 0.220 104 A C 2.134 180.088 177.584 0.616 0.000 1.164 104 A CA 1.574 53.920 52.037 0.514 0.000 0.643 104 A CB -0.907 18.393 19.000 0.500 0.000 0.806 104 A HN 0.752 nan 8.150 nan 0.000 0.451 105 I N -5.061 115.751 120.570 0.403 0.000 3.334 105 I HA -0.019 4.151 4.170 -0.001 0.000 0.282 105 I C 1.113 177.200 176.117 -0.050 0.000 1.313 105 I CA 0.733 62.108 61.300 0.124 0.000 1.396 105 I CB -0.379 37.561 38.000 -0.099 0.000 1.054 105 I HN 0.209 nan 8.210 nan 0.000 0.495 106 Y N 2.566 123.031 120.300 0.275 0.000 2.461 106 Y HA 0.348 4.897 4.550 -0.001 0.000 0.277 106 Y C 1.356 177.634 175.900 0.630 0.000 1.182 106 Y CA -1.049 57.179 58.100 0.213 0.000 1.276 106 Y CB -0.405 38.151 38.460 0.160 0.000 1.087 106 Y HN 0.260 nan 8.280 nan 0.000 0.519 107 L N -0.287 121.192 121.223 0.426 0.000 2.492 107 L HA 0.159 4.499 4.340 -0.001 0.000 0.280 107 L C -0.329 176.621 176.870 0.133 0.000 1.240 107 L CA 0.162 54.892 54.840 -0.182 0.000 0.831 107 L CB 0.696 42.565 42.059 -0.317 0.000 1.100 107 L HN 0.132 nan 8.230 nan 0.000 0.505 108 E N 2.118 122.304 120.200 -0.023 0.000 2.235 108 E HA 0.388 4.737 4.350 -0.001 0.000 0.252 108 E C -1.290 175.307 176.600 -0.005 0.000 0.886 108 E CA -0.341 56.068 56.400 0.015 0.000 0.767 108 E CB 1.786 31.457 29.700 -0.048 0.000 1.205 108 E HN 0.663 nan 8.360 nan 0.000 0.421 109 S N 2.231 117.924 115.700 -0.011 0.000 2.548 109 S HA 0.151 4.620 4.470 -0.001 0.000 0.276 109 S C 0.152 174.747 174.600 -0.008 0.000 1.129 109 S CA -0.665 57.540 58.200 0.009 0.000 0.931 109 S CB 1.273 64.429 63.200 -0.074 0.000 1.068 109 S HN 0.408 nan 8.310 nan 0.000 0.480 110 D N 2.131 122.533 120.400 0.004 0.000 2.218 110 D HA 0.002 4.641 4.640 -0.001 0.000 0.204 110 D C 1.071 177.367 176.300 -0.008 0.000 0.976 110 D CA 1.411 55.407 54.000 -0.007 0.000 0.853 110 D CB 0.091 40.888 40.800 -0.005 0.000 0.939 110 D HN 0.746 nan 8.370 nan 0.000 0.481 111 T N -1.878 112.674 114.554 -0.004 0.000 2.932 111 T HA 0.566 4.915 4.350 -0.001 0.000 0.289 111 T C -2.851 171.832 174.700 -0.028 0.000 1.039 111 T CA -2.014 60.081 62.100 -0.009 0.000 1.024 111 T CB 2.218 71.087 68.868 0.002 0.000 1.090 111 T HN -0.304 nan 8.240 nan 0.000 0.496 112 P HA 0.434 nan 4.420 nan 0.000 0.271 112 P C -1.064 176.205 177.300 -0.051 0.000 1.216 112 P CA -0.485 62.594 63.100 -0.035 0.000 0.776 112 P CB 0.582 32.269 31.700 -0.022 0.000 0.881 113 V N 1.596 121.464 119.914 -0.076 0.000 2.531 113 V HA 0.305 4.425 4.120 -0.001 0.000 0.301 113 V C 0.384 176.470 176.094 -0.013 0.000 1.034 113 V CA -0.762 61.483 62.300 -0.092 0.000 0.865 113 V CB 1.709 33.357 31.823 -0.291 0.000 0.995 113 V HN 0.616 nan 8.190 nan 0.000 0.424 114 S N 4.633 120.351 115.700 0.030 0.000 2.533 114 S HA 0.185 4.655 4.470 -0.001 0.000 0.282 114 S C 1.450 176.093 174.600 0.071 0.000 1.304 114 S CA -0.247 58.013 58.200 0.100 0.000 1.063 114 S CB 0.419 63.690 63.200 0.119 0.000 0.881 114 S HN 0.701 nan 8.310 nan 0.000 0.493 115 R N 2.279 122.823 120.500 0.073 0.000 2.140 115 R HA -0.165 4.175 4.340 -0.001 0.000 0.250 115 R C 1.289 177.501 176.300 -0.146 0.000 1.150 115 R CA 2.020 58.027 56.100 -0.156 0.000 0.966 115 R CB -0.660 29.298 30.300 -0.570 0.000 0.869 115 R HN 0.868 nan 8.270 nan 0.000 0.445 116 D N 0.240 120.367 120.400 -0.456 0.000 2.371 116 D HA -0.115 4.524 4.640 -0.001 0.000 0.234 116 D C 0.562 176.799 176.300 -0.105 0.000 1.049 116 D CA 0.642 54.403 54.000 -0.398 0.000 0.907 116 D CB 0.024 40.423 40.800 -0.668 0.000 0.891 116 D HN 0.347 nan 8.370 nan 0.000 0.531 117 Q N 0.574 120.376 119.800 0.003 0.000 2.055 117 Q HA 0.221 4.560 4.340 -0.001 0.000 0.226 117 Q C 0.693 176.788 176.000 0.159 0.000 0.805 117 Q CA -0.368 55.472 55.803 0.062 0.000 1.072 117 Q CB 0.724 29.500 28.738 0.064 0.000 1.219 117 Q HN 0.465 nan 8.270 nan 0.000 0.451 118 I N -1.044 119.650 120.570 0.207 0.000 2.836 118 I HA 0.281 4.450 4.170 -0.001 0.000 0.285 118 I C -0.361 175.977 176.117 0.368 0.000 1.174 118 I CA -0.165 61.370 61.300 0.392 0.000 1.405 118 I CB 0.532 38.824 38.000 0.486 0.000 1.385 118 I HN -0.178 nan 8.210 nan 0.000 0.594 119 K N 3.749 124.441 120.400 0.487 0.000 2.509 119 K HA 0.451 4.771 4.320 -0.001 0.000 0.266 119 K C -2.202 174.393 176.600 -0.008 0.000 0.987 119 K CA -1.328 54.987 56.287 0.046 0.000 0.868 119 K CB 1.633 34.011 32.500 -0.202 0.000 1.421 119 K HN 0.166 nan 8.250 nan 0.000 0.444 120 P HA -0.306 nan 4.420 nan 0.000 0.216 120 P C 0.715 177.847 177.300 -0.280 0.000 1.154 120 P CA 1.511 64.378 63.100 -0.389 0.000 0.865 120 P CB 0.153 31.291 31.700 -0.937 0.000 0.789 121 E N -1.143 118.839 120.200 -0.364 0.000 2.204 121 E HA -0.244 4.106 4.350 -0.001 0.000 0.195 121 E C 1.243 177.769 176.600 -0.123 0.000 0.990 121 E CA 1.119 57.365 56.400 -0.256 0.000 0.821 121 E CB -1.074 28.456 29.700 -0.285 0.000 0.750 121 E HN 0.430 nan 8.360 nan 0.000 0.477 122 H N -0.810 118.286 119.070 0.043 0.000 2.563 122 H HA 0.037 4.593 4.556 -0.001 0.000 0.272 122 H C 0.342 175.513 175.328 -0.261 0.000 1.005 122 H CA 0.620 56.608 56.048 -0.099 0.000 1.171 122 H CB -0.171 29.492 29.762 -0.165 0.000 1.351 122 H HN 0.293 nan 8.280 nan 0.000 0.602 123 F N 0.080 120.256 119.950 0.376 0.000 2.735 123 F HA 0.214 4.741 4.527 -0.000 0.000 0.308 123 F C 1.664 177.796 175.800 0.553 0.000 1.112 123 F CA -0.451 57.902 58.000 0.588 0.000 1.235 123 F CB 0.609 40.034 39.000 0.708 0.000 1.027 123 F HN -0.130 nan 8.300 nan 0.000 0.528 124 K N 0.623 121.293 120.400 0.450 0.000 2.063 124 K HA -0.187 4.132 4.320 -0.001 0.000 0.208 124 K C 1.201 177.967 176.600 0.276 0.000 1.048 124 K CA 1.798 58.310 56.287 0.376 0.000 0.928 124 K CB -0.486 32.140 32.500 0.212 0.000 0.713 124 K HN 0.475 nan 8.250 nan 0.000 0.442 125 N N 0.005 118.799 118.700 0.157 0.000 2.120 125 N HA -0.165 4.574 4.740 -0.001 0.000 0.188 125 N C 1.817 177.378 175.510 0.086 0.000 1.024 125 N CA 1.133 54.197 53.050 0.024 0.000 0.852 125 N CB -0.180 38.196 38.487 -0.185 0.000 1.003 125 N HN 0.293 nan 8.380 nan 0.000 0.424 126 W N 1.128 122.572 121.300 0.239 0.000 2.335 126 W HA -0.141 4.519 4.660 -0.000 0.000 0.311 126 W C 2.264 178.906 176.519 0.205 0.000 1.213 126 W CA 0.340 57.835 57.345 0.251 0.000 1.274 126 W CB -0.606 29.028 29.460 0.291 0.000 1.148 126 W HN -0.148 nan 8.180 nan 0.000 0.498 127 V N 1.093 121.241 119.914 0.391 0.000 2.287 127 V HA -0.332 3.788 4.120 -0.001 0.000 0.248 127 V C 1.930 178.111 176.094 0.146 0.000 1.053 127 V CA 2.439 64.837 62.300 0.164 0.000 1.027 127 V CB -1.066 30.833 31.823 0.126 0.000 0.646 127 V HN 0.292 nan 8.190 nan 0.000 0.447 128 E N -0.833 119.477 120.200 0.183 0.000 2.077 128 E HA -0.302 4.048 4.350 -0.001 0.000 0.193 128 E C 1.991 178.676 176.600 0.143 0.000 0.989 128 E CA 1.690 58.168 56.400 0.129 0.000 0.800 128 E CB -0.433 29.338 29.700 0.118 0.000 0.746 128 E HN 0.748 nan 8.360 nan 0.000 0.452 129 W N 2.112 123.426 121.300 0.022 0.000 2.358 129 W HA -0.127 4.533 4.660 -0.001 0.000 0.303 129 W C 2.494 179.029 176.519 0.026 0.000 1.208 129 W CA 2.095 59.450 57.345 0.018 0.000 1.274 129 W CB -0.338 29.132 29.460 0.017 0.000 1.138 129 W HN 0.077 nan 8.180 nan 0.000 0.515 130 A N 0.679 123.554 122.820 0.092 0.000 1.908 130 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 130 A C 2.013 179.468 177.584 -0.215 0.000 1.181 130 A CA 2.113 54.056 52.037 -0.157 0.000 0.627 130 A CB -0.770 18.227 19.000 -0.005 0.000 0.818 130 A HN 0.373 nan 8.150 nan 0.000 0.445 131 K N -0.418 119.915 120.400 -0.112 0.000 2.032 131 K HA -0.104 4.216 4.320 -0.001 0.000 0.209 131 K C 2.242 178.757 176.600 -0.142 0.000 1.048 131 K CA 1.239 57.464 56.287 -0.104 0.000 0.927 131 K CB -0.376 32.093 32.500 -0.052 0.000 0.712 131 K HN 0.439 nan 8.250 nan 0.000 0.441 132 A N 1.599 124.324 122.820 -0.158 0.000 2.070 132 A HA -0.114 4.205 4.320 -0.001 0.000 0.220 132 A C 1.410 178.836 177.584 -0.263 0.000 1.159 132 A CA 1.239 53.171 52.037 -0.175 0.000 0.656 132 A CB -0.180 18.735 19.000 -0.142 0.000 0.800 132 A HN 0.292 nan 8.150 nan 0.000 0.453 133 N N -0.189 118.268 118.700 -0.405 0.000 2.204 133 N HA 0.030 4.769 4.740 -0.001 0.000 0.219 133 N C -0.676 174.650 175.510 -0.307 0.000 1.151 133 N CA 0.105 52.894 53.050 -0.435 0.000 0.867 133 N CB 0.505 38.515 38.487 -0.796 0.000 1.043 133 N HN 0.287 nan 8.380 nan 0.000 0.516 134 Q N 0.080 119.741 119.800 -0.232 0.000 2.468 134 Q HA -0.167 4.173 4.340 -0.001 0.000 0.289 134 Q C -0.535 175.370 176.000 -0.158 0.000 1.299 134 Q CA 0.858 56.566 55.803 -0.158 0.000 0.838 134 Q CB -2.283 26.383 28.738 -0.120 0.000 1.195 134 Q HN 0.494 nan 8.270 nan 0.000 0.456 135 L N -0.506 120.599 121.223 -0.196 0.000 2.334 135 L HA 0.781 5.120 4.340 -0.001 0.000 0.276 135 L C 1.154 177.957 176.870 -0.112 0.000 1.014 135 L CA -0.654 54.088 54.840 -0.164 0.000 0.815 135 L CB 1.796 43.724 42.059 -0.218 0.000 1.268 135 L HN 0.235 nan 8.230 nan 0.000 0.428 136 G N 2.273 111.030 108.800 -0.071 0.000 2.504 136 G HA2 0.654 4.613 3.960 -0.001 0.000 0.288 136 G HA3 0.654 4.613 3.960 -0.001 0.000 0.288 136 G C -0.873 173.989 174.900 -0.062 0.000 1.182 136 G CA -0.533 44.537 45.100 -0.050 0.000 0.894 136 G HN 0.383 nan 8.290 nan 0.000 0.521 137 L N 0.713 121.889 121.223 -0.079 0.000 2.362 137 L HA 0.467 4.807 4.340 -0.001 0.000 0.271 137 L C -0.756 176.159 176.870 0.076 0.000 1.002 137 L CA -0.950 53.820 54.840 -0.117 0.000 0.818 137 L CB 2.297 44.029 42.059 -0.544 0.000 1.298 137 L HN 0.411 nan 8.230 nan 0.000 0.420 138 D N 0.789 121.271 120.400 0.137 0.000 2.414 138 D HA 0.589 5.229 4.640 -0.001 0.000 0.241 138 D C -1.292 175.253 176.300 0.407 0.000 1.008 138 D CA -0.157 53.979 54.000 0.227 0.000 1.001 138 D CB 3.086 43.959 40.800 0.121 0.000 1.277 138 D HN 0.078 nan 8.370 nan 0.000 0.538 139 F N 0.089 120.101 119.950 0.103 0.000 2.664 139 F HA 0.427 4.953 4.527 -0.001 0.000 0.317 139 F C -1.465 174.288 175.800 -0.078 0.000 1.108 139 F CA -0.633 57.383 58.000 0.027 0.000 0.957 139 F CB 1.866 40.839 39.000 -0.045 0.000 1.365 139 F HN 0.210 nan 8.300 nan 0.000 0.475 140 N N 2.159 120.252 118.700 -1.012 0.000 2.452 140 N HA 0.399 5.138 4.740 -0.001 0.000 0.277 140 N C -3.050 171.913 175.510 -0.910 0.000 1.078 140 N CA -1.275 51.292 53.050 -0.806 0.000 0.947 140 N CB 2.716 40.556 38.487 -1.079 0.000 1.655 140 N HN 0.110 nan 8.380 nan 0.000 0.490 141 P HA 0.165 nan 4.420 nan 0.000 0.272 141 P C -0.832 176.599 177.300 0.218 0.000 1.223 141 P CA -0.296 62.688 63.100 -0.194 0.000 0.784 141 P CB 0.643 32.228 31.700 -0.192 0.000 0.923 142 S N 1.234 117.261 115.700 0.546 0.000 2.528 142 S HA 0.229 4.698 4.470 -0.001 0.000 0.303 142 S C 0.012 174.525 174.600 -0.145 0.000 1.123 142 S CA -0.404 57.862 58.200 0.111 0.000 1.138 142 S CB -0.450 62.659 63.200 -0.153 0.000 0.984 142 S HN 0.392 nan 8.310 nan 0.000 0.474 143 C N 4.148 123.368 119.300 -0.133 0.000 2.361 143 C HA 0.552 5.011 4.460 -0.001 0.000 0.336 143 C C -0.001 174.702 174.990 -0.477 0.000 1.406 143 C CA -0.846 57.817 59.018 -0.592 0.000 1.763 143 C CB -2.440 24.931 27.740 -0.615 0.000 2.761 143 C HN 0.835 nan 8.230 nan 0.000 0.566 144 F N -3.579 116.251 119.950 -0.200 0.000 2.745 144 F HA 0.678 5.204 4.527 -0.001 0.000 0.316 144 F C 0.333 176.167 175.800 0.056 0.000 1.155 144 F CA -1.007 56.934 58.000 -0.097 0.000 0.937 144 F CB 0.130 39.115 39.000 -0.025 0.000 1.361 144 F HN -0.152 nan 8.300 nan 0.000 0.472 145 S N 1.186 117.061 115.700 0.290 0.000 3.524 145 S HA -0.199 4.270 4.470 -0.001 0.000 0.377 145 S C -0.685 174.010 174.600 0.159 0.000 0.949 145 S CA 1.227 59.547 58.200 0.201 0.000 1.264 145 S CB -2.167 61.178 63.200 0.241 0.000 0.918 145 S HN 1.152 nan 8.310 nan 0.000 0.517 146 H N -0.920 118.194 119.070 0.073 0.000 3.037 146 H HA 0.297 4.853 4.556 -0.001 0.000 0.355 146 H C -2.629 172.743 175.328 0.074 0.000 1.263 146 H CA -1.495 54.602 56.048 0.082 0.000 1.129 146 H CB 1.779 31.682 29.762 0.235 0.000 1.861 146 H HN -0.090 nan 8.280 nan 0.000 0.546 147 P HA -0.074 nan 4.420 nan 0.000 0.216 147 P C 1.427 178.807 177.300 0.134 0.000 1.150 147 P CA 1.140 64.198 63.100 -0.070 0.000 0.843 147 P CB 0.290 31.841 31.700 -0.248 0.000 0.787 148 L N -0.964 120.512 121.223 0.422 0.000 2.599 148 L HA 0.054 4.394 4.340 -0.001 0.000 0.230 148 L C 1.582 178.788 176.870 0.560 0.000 1.141 148 L CA 0.865 55.897 54.840 0.320 0.000 0.877 148 L CB -0.667 41.316 42.059 -0.127 0.000 1.009 148 L HN 0.099 nan 8.230 nan 0.000 0.447 149 S N -1.927 114.050 115.700 0.460 0.000 2.559 149 S HA 0.214 4.684 4.470 -0.001 0.000 0.226 149 S C 1.868 176.544 174.600 0.125 0.000 1.000 149 S CA 0.223 58.550 58.200 0.212 0.000 0.948 149 S CB 0.550 63.759 63.200 0.015 0.000 0.870 149 S HN 0.200 nan 8.310 nan 0.000 0.497 150 A N 2.463 125.375 122.820 0.153 0.000 2.032 150 A HA -0.130 4.189 4.320 -0.001 0.000 0.221 150 A C 1.624 179.255 177.584 0.079 0.000 1.165 150 A CA 1.773 53.866 52.037 0.094 0.000 0.645 150 A CB -0.598 18.449 19.000 0.077 0.000 0.807 150 A HN 0.511 nan 8.150 nan 0.000 0.453 151 D N -1.453 119.033 120.400 0.144 0.000 2.349 151 D HA 0.249 4.888 4.640 -0.001 0.000 0.224 151 D C 1.378 177.655 176.300 -0.039 0.000 1.029 151 D CA 1.067 55.156 54.000 0.148 0.000 0.879 151 D CB 0.016 41.016 40.800 0.333 0.000 0.906 151 D HN 0.626 nan 8.370 nan 0.000 0.528 152 G N 0.264 108.951 108.800 -0.189 0.000 2.157 152 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.248 152 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.248 152 G C -0.011 174.216 174.900 -1.121 0.000 0.979 152 G CA -0.277 44.477 45.100 -0.577 0.000 0.650 152 G HN 0.247 nan 8.290 nan 0.000 0.529 153 F N -0.007 119.913 119.950 -0.050 0.000 2.565 153 F HA 0.704 5.230 4.527 -0.001 0.000 0.313 153 F C 0.955 176.757 175.800 0.004 0.000 1.091 153 F CA 0.048 58.003 58.000 -0.076 0.000 0.915 153 F CB 2.156 41.059 39.000 -0.160 0.000 1.208 153 F HN 0.223 nan 8.300 nan 0.000 0.453 154 T N -1.935 112.616 114.554 -0.004 0.000 3.349 154 T HA 0.231 4.581 4.350 -0.001 0.000 0.169 154 T C 1.370 176.109 174.700 0.066 0.000 0.938 154 T CA -0.133 61.773 62.100 -0.323 0.000 1.017 154 T CB -0.398 67.765 68.868 -1.175 0.000 1.476 154 T HN 0.407 nan 8.240 nan 0.000 0.327 155 L N 2.564 123.757 121.223 -0.050 0.000 2.275 155 L HA 0.089 4.428 4.340 -0.001 0.000 0.215 155 L C 2.493 179.412 176.870 0.080 0.000 1.119 155 L CA 1.493 56.379 54.840 0.077 0.000 0.790 155 L CB -0.404 41.657 42.059 0.004 0.000 0.919 155 L HN 0.640 nan 8.230 nan 0.000 0.443 156 S N -2.926 112.812 115.700 0.064 0.000 2.557 156 S HA 0.018 4.487 4.470 -0.001 0.000 0.223 156 S C 0.751 175.384 174.600 0.056 0.000 0.969 156 S CA -0.545 57.678 58.200 0.040 0.000 0.927 156 S CB -0.373 62.816 63.200 -0.019 0.000 0.806 156 S HN 0.293 nan 8.310 nan 0.000 0.489 157 H N 1.656 120.785 119.070 0.098 0.000 2.928 157 H HA 0.343 4.898 4.556 -0.001 0.000 0.338 157 H C 1.430 176.763 175.328 0.008 0.000 1.047 157 H CA 0.850 56.950 56.048 0.088 0.000 1.435 157 H CB 1.368 31.253 29.762 0.205 0.000 1.428 157 H HN 0.327 nan 8.280 nan 0.000 0.590 158 A N 4.268 127.083 122.820 -0.008 0.000 1.968 158 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 158 A C 1.101 178.814 177.584 0.215 0.000 1.169 158 A CA 0.762 52.822 52.037 0.038 0.000 0.638 158 A CB -0.110 18.823 19.000 -0.112 0.000 0.812 158 A HN 0.800 nan 8.150 nan 0.000 0.446 159 D N 0.446 121.168 120.400 0.538 0.000 2.382 159 D HA 0.009 4.649 4.640 -0.001 0.000 0.259 159 D C -0.264 176.109 176.300 0.121 0.000 1.224 159 D CA -0.087 54.049 54.000 0.227 0.000 0.894 159 D CB 0.530 41.352 40.800 0.038 0.000 1.127 159 D HN 0.178 nan 8.370 nan 0.000 0.487 160 D N 2.415 122.863 120.400 0.079 0.000 2.182 160 D HA -0.141 4.498 4.640 -0.001 0.000 0.201 160 D C 1.770 178.100 176.300 0.050 0.000 0.986 160 D CA 1.058 55.097 54.000 0.065 0.000 0.847 160 D CB 0.109 40.938 40.800 0.048 0.000 0.942 160 D HN 0.333 nan 8.370 nan 0.000 0.467 161 S N 0.200 115.912 115.700 0.020 0.000 2.371 161 S HA 0.006 4.475 4.470 -0.001 0.000 0.224 161 S C 2.228 176.829 174.600 0.001 0.000 1.029 161 S CA 0.269 58.473 58.200 0.006 0.000 0.978 161 S CB 0.007 63.195 63.200 -0.020 0.000 0.833 161 S HN 0.249 nan 8.310 nan 0.000 0.466 162 I N 1.314 121.847 120.570 -0.061 0.000 2.252 162 I HA -0.162 4.008 4.170 -0.001 0.000 0.245 162 I C 2.763 178.962 176.117 0.137 0.000 1.102 162 I CA 1.073 62.328 61.300 -0.075 0.000 1.385 162 I CB -0.266 37.539 38.000 -0.325 0.000 1.064 162 I HN 0.196 nan 8.210 nan 0.000 0.414 163 R N 0.640 121.238 120.500 0.164 0.000 2.105 163 R HA -0.270 4.070 4.340 -0.001 0.000 0.239 163 R C 2.346 178.768 176.300 0.204 0.000 1.135 163 R CA 1.777 58.031 56.100 0.257 0.000 0.967 163 R CB -0.128 30.291 30.300 0.198 0.000 0.861 163 R HN 0.226 nan 8.270 nan 0.000 0.442 164 Q N -0.319 119.555 119.800 0.123 0.000 2.119 164 Q HA -0.159 4.181 4.340 -0.001 0.000 0.201 164 Q C 1.657 177.684 176.000 0.046 0.000 0.972 164 Q CA 1.696 57.547 55.803 0.080 0.000 0.847 164 Q CB -0.389 28.382 28.738 0.054 0.000 0.903 164 Q HN 0.419 nan 8.270 nan 0.000 0.433 165 F N -1.047 118.821 119.950 -0.137 0.000 2.095 165 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 165 F C 1.254 176.856 175.800 -0.331 0.000 1.104 165 F CA 1.889 59.703 58.000 -0.309 0.000 1.232 165 F CB -0.400 38.287 39.000 -0.523 0.000 0.987 165 F HN 0.178 nan 8.300 nan 0.000 0.475 166 W N 0.325 121.677 121.300 0.087 0.000 2.436 166 W HA -0.053 4.607 4.660 -0.001 0.000 0.284 166 W C 2.366 178.865 176.519 -0.034 0.000 1.225 166 W CA 0.778 58.124 57.345 0.002 0.000 1.271 166 W CB -0.435 29.073 29.460 0.081 0.000 1.114 166 W HN 0.009 nan 8.180 nan 0.000 0.559 167 I N 0.381 121.059 120.570 0.179 0.000 2.179 167 I HA -0.318 3.852 4.170 -0.001 0.000 0.242 167 I C 1.940 178.065 176.117 0.013 0.000 1.088 167 I CA 1.446 62.803 61.300 0.094 0.000 1.357 167 I CB -0.484 37.564 38.000 0.079 0.000 1.051 167 I HN -0.097 nan 8.210 nan 0.000 0.409 168 D N -0.443 119.919 120.400 -0.062 0.000 2.117 168 D HA -0.244 4.395 4.640 -0.001 0.000 0.197 168 D C 1.974 178.195 176.300 -0.132 0.000 0.987 168 D CA 1.293 55.224 54.000 -0.115 0.000 0.829 168 D CB -0.578 40.125 40.800 -0.163 0.000 0.961 168 D HN 0.476 nan 8.370 nan 0.000 0.460 169 H N 0.117 118.993 119.070 -0.323 0.000 2.352 169 H HA -0.114 4.442 4.556 -0.001 0.000 0.299 169 H C 1.787 177.084 175.328 -0.052 0.000 1.097 169 H CA 1.424 57.321 56.048 -0.251 0.000 1.311 169 H CB 0.051 29.632 29.762 -0.301 0.000 1.377 169 H HN 0.144 nan 8.280 nan 0.000 0.504 170 C N 0.918 120.136 119.300 -0.137 0.000 2.457 170 C HA -0.026 4.433 4.460 -0.001 0.000 0.278 170 C C 2.738 177.660 174.990 -0.113 0.000 1.309 170 C CA 0.738 59.663 59.018 -0.155 0.000 1.735 170 C CB -0.599 27.131 27.740 -0.017 0.000 1.992 170 C HN 0.562 nan 8.230 nan 0.000 0.493 171 K N 1.538 121.894 120.400 -0.073 0.000 2.057 171 K HA -0.093 4.226 4.320 -0.001 0.000 0.207 171 K C 2.254 178.801 176.600 -0.087 0.000 1.049 171 K CA 1.632 57.882 56.287 -0.062 0.000 0.931 171 K CB -0.319 32.157 32.500 -0.040 0.000 0.714 171 K HN 0.468 nan 8.250 nan 0.000 0.440 172 A N 1.001 123.767 122.820 -0.090 0.000 1.898 172 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 172 A C 2.153 179.687 177.584 -0.083 0.000 1.181 172 A CA 1.819 53.814 52.037 -0.069 0.000 0.620 172 A CB -0.518 18.470 19.000 -0.022 0.000 0.819 172 A HN 0.197 nan 8.150 nan 0.000 0.442 173 S N -0.110 115.521 115.700 -0.115 0.000 2.399 173 S HA -0.166 4.304 4.470 -0.001 0.000 0.231 173 S C 1.967 176.544 174.600 -0.038 0.000 1.022 173 S CA 1.347 59.549 58.200 0.003 0.000 0.983 173 S CB -0.323 62.846 63.200 -0.052 0.000 0.803 173 S HN 0.635 nan 8.310 nan 0.000 0.480 174 R N 1.252 121.687 120.500 -0.109 0.000 2.091 174 R HA -0.022 4.317 4.340 -0.001 0.000 0.238 174 R C 2.506 178.592 176.300 -0.356 0.000 1.136 174 R CA 1.293 57.235 56.100 -0.263 0.000 0.959 174 R CB -0.290 29.824 30.300 -0.311 0.000 0.856 174 R HN 0.349 nan 8.270 nan 0.000 0.437 175 R N 0.226 120.581 120.500 -0.241 0.000 2.120 175 R HA -0.079 4.261 4.340 -0.001 0.000 0.234 175 R C 2.276 178.431 176.300 -0.242 0.000 1.123 175 R CA 1.184 57.162 56.100 -0.204 0.000 0.975 175 R CB -0.338 29.881 30.300 -0.136 0.000 0.866 175 R HN 0.062 nan 8.270 nan 0.000 0.446 176 V N 0.061 119.760 119.914 -0.359 0.000 2.358 176 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 176 V C 2.344 177.878 176.094 -0.934 0.000 1.047 176 V CA 1.966 63.870 62.300 -0.660 0.000 1.035 176 V CB -0.370 30.829 31.823 -1.040 0.000 0.658 176 V HN 0.344 nan 8.190 nan 0.000 0.452 177 S N -0.077 115.196 115.700 -0.712 0.000 2.359 177 S HA -0.256 4.214 4.470 -0.001 0.000 0.223 177 S C 2.178 176.711 174.600 -0.113 0.000 1.039 177 S CA 1.886 59.860 58.200 -0.376 0.000 1.042 177 S CB -0.416 62.893 63.200 0.183 0.000 0.915 177 S HN 0.631 nan 8.310 nan 0.000 0.439 178 A N 0.173 122.942 122.820 -0.085 0.000 1.908 178 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 178 A C 2.039 179.643 177.584 0.034 0.000 1.181 178 A CA 1.920 53.981 52.037 0.041 0.000 0.627 178 A CB -1.246 17.735 19.000 -0.030 0.000 0.818 178 A HN 0.802 nan 8.150 nan 0.000 0.445 179 Y N -0.214 119.995 120.300 -0.152 0.000 2.165 179 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 179 Y C 1.889 177.824 175.900 0.059 0.000 1.155 179 Y CA 1.505 59.553 58.100 -0.088 0.000 1.164 179 Y CB -0.538 37.849 38.460 -0.120 0.000 0.978 179 Y HN 0.261 nan 8.280 nan 0.000 0.513 180 F N 0.465 120.258 119.950 -0.261 0.000 2.095 180 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 180 F C 2.750 178.417 175.800 -0.223 0.000 1.104 180 F CA 1.178 58.994 58.000 -0.307 0.000 1.232 180 F CB -1.525 37.386 39.000 -0.147 0.000 0.987 180 F HN 0.170 nan 8.300 nan 0.000 0.475 181 G N -0.557 108.308 108.800 0.108 0.000 2.418 181 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.217 181 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.217 181 G C 1.605 176.432 174.900 -0.122 0.000 1.158 181 G CA 0.828 45.982 45.100 0.089 0.000 0.771 181 G HN 0.368 nan 8.290 nan 0.000 0.545 182 E N -0.001 119.956 120.200 -0.405 0.000 2.077 182 E HA -0.120 4.230 4.350 -0.001 0.000 0.193 182 E C 2.757 179.190 176.600 -0.280 0.000 0.989 182 E CA 1.035 57.069 56.400 -0.611 0.000 0.800 182 E CB -0.030 29.366 29.700 -0.506 0.000 0.746 182 E HN 0.334 nan 8.360 nan 0.000 0.452 183 Q N -0.079 119.560 119.800 -0.269 0.000 2.172 183 Q HA -0.044 4.296 4.340 -0.001 0.000 0.200 183 Q C 2.113 178.032 176.000 -0.135 0.000 0.964 183 Q CA 0.920 56.594 55.803 -0.215 0.000 0.855 183 Q CB 0.188 28.708 28.738 -0.364 0.000 0.918 183 Q HN 0.369 nan 8.270 nan 0.000 0.444 184 L N -1.379 119.777 121.223 -0.113 0.000 2.585 184 L HA 0.233 4.573 4.340 -0.001 0.000 0.226 184 L C 1.194 178.048 176.870 -0.028 0.000 1.113 184 L CA 0.473 55.271 54.840 -0.070 0.000 0.876 184 L CB 0.186 42.200 42.059 -0.075 0.000 1.072 184 L HN 0.314 nan 8.230 nan 0.000 0.468 185 G N 0.283 109.081 108.800 -0.003 0.000 2.176 185 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.253 185 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.253 185 G C 0.350 175.286 174.900 0.060 0.000 0.979 185 G CA 0.365 45.485 45.100 0.033 0.000 0.641 185 G HN 0.326 nan 8.290 nan 0.000 0.530 186 T N 1.351 115.946 114.554 0.068 0.000 2.952 186 T HA 0.648 4.998 4.350 -0.001 0.000 0.305 186 T C -2.912 171.855 174.700 0.111 0.000 1.064 186 T CA -0.965 61.184 62.100 0.082 0.000 1.008 186 T CB 2.555 71.459 68.868 0.060 0.000 1.078 186 T HN 0.034 nan 8.240 nan 0.000 0.459 187 P HA 0.223 nan 4.420 nan 0.000 0.269 187 P C -0.747 176.609 177.300 0.092 0.000 1.209 187 P CA -0.191 62.981 63.100 0.120 0.000 0.776 187 P CB 0.605 32.348 31.700 0.071 0.000 0.876 188 S N 1.948 117.719 115.700 0.118 0.000 2.457 188 S HA 0.386 4.855 4.470 -0.001 0.000 0.289 188 S C 0.006 174.612 174.600 0.011 0.000 1.163 188 S CA -0.637 57.641 58.200 0.131 0.000 1.078 188 S CB 0.053 63.418 63.200 0.275 0.000 0.987 188 S HN 0.158 nan 8.310 nan 0.000 0.482 192 I N 2.703 123.256 120.570 -0.030 0.000 2.330 192 I HA 0.410 4.579 4.170 -0.001 0.000 0.289 192 I C -0.926 175.205 176.117 0.024 0.000 1.001 192 I CA -0.525 60.769 61.300 -0.011 0.000 1.193 192 I CB 1.012 38.990 38.000 -0.037 0.000 1.345 192 I HN 0.464 nan 8.210 nan 0.000 0.461 193 W N 9.458 130.717 121.300 -0.069 0.000 2.998 193 W HA 0.741 5.401 4.660 -0.001 0.000 0.335 193 W C -1.573 174.932 176.519 -0.023 0.000 1.110 193 W CA -0.849 56.465 57.345 -0.053 0.000 1.230 193 W CB 1.289 30.737 29.460 -0.021 0.000 1.405 193 W HN 0.337 nan 8.180 nan 0.000 0.493 194 I N 4.488 124.302 120.570 -1.261 0.000 2.730 194 I HA 0.641 4.810 4.170 -0.001 0.000 0.298 194 I C -2.041 172.996 176.117 -1.800 0.000 1.089 194 I CA -2.715 57.805 61.300 -1.300 0.000 1.041 194 I CB 2.977 40.584 38.000 -0.655 0.000 1.235 194 I HN 0.289 nan 8.210 nan 0.000 0.423 195 P HA 0.073 nan 4.420 nan 0.000 0.245 195 P C -0.435 176.545 177.300 -0.534 0.000 1.206 195 P CA 0.132 62.727 63.100 -0.840 0.000 0.781 195 P CB -0.156 31.277 31.700 -0.445 0.000 0.994 196 D N 1.165 121.228 120.400 -0.562 0.000 2.658 196 D HA 0.293 4.932 4.640 -0.001 0.000 0.230 196 D C 1.294 177.318 176.300 -0.460 0.000 1.118 196 D CA 1.562 55.265 54.000 -0.495 0.000 0.848 196 D CB -0.100 40.530 40.800 -0.282 0.000 1.160 196 D HN 0.244 nan 8.370 nan 0.000 0.497 200 D N 0.324 120.758 120.400 0.057 0.000 2.621 200 D HA 0.318 4.958 4.640 -0.001 0.000 0.255 200 D C -0.195 176.129 176.300 0.040 0.000 1.122 200 D CA -0.733 53.291 54.000 0.039 0.000 1.096 200 D CB 1.174 41.988 40.800 0.023 0.000 1.282 200 D HN 0.083 nan 8.370 nan 0.000 0.619 201 I N 1.366 121.946 120.570 0.017 0.000 3.015 201 I HA -0.077 4.093 4.170 -0.001 0.000 0.309 201 I C 0.622 176.729 176.117 -0.017 0.000 1.229 201 I CA 1.038 62.337 61.300 -0.000 0.000 1.430 201 I CB -1.316 36.678 38.000 -0.009 0.000 1.347 201 I HN 0.122 nan 8.210 nan 0.000 0.544 202 T N 6.564 121.083 114.554 -0.057 0.000 2.823 202 T HA 0.392 4.741 4.350 -0.001 0.000 0.279 202 T C 1.407 176.016 174.700 -0.150 0.000 0.998 202 T CA -0.590 61.437 62.100 -0.121 0.000 0.994 202 T CB 2.510 71.220 68.868 -0.262 0.000 0.960 202 T HN 0.352 nan 8.240 nan 0.000 0.448 203 V N 1.128 120.965 119.914 -0.128 0.000 2.407 203 V HA 0.039 4.158 4.120 -0.001 0.000 0.245 203 V C 0.848 176.856 176.094 -0.144 0.000 1.041 203 V CA 1.228 63.461 62.300 -0.111 0.000 1.040 203 V CB -0.059 31.717 31.823 -0.079 0.000 0.671 203 V HN 0.806 nan 8.190 nan 0.000 0.455 204 D N -0.666 119.623 120.400 -0.186 0.000 2.438 204 D HA 0.283 4.923 4.640 -0.001 0.000 0.257 204 D C 0.938 177.066 176.300 -0.287 0.000 1.148 204 D CA -0.323 53.566 54.000 -0.184 0.000 0.902 204 D CB 0.968 41.691 40.800 -0.129 0.000 1.062 204 D HN 0.074 nan 8.370 nan 0.000 0.518 205 R N 1.883 122.170 120.500 -0.355 0.000 2.275 205 R HA 0.049 4.388 4.340 -0.001 0.000 0.199 205 R C 1.659 177.918 176.300 -0.069 0.000 0.989 205 R CA 0.179 55.988 56.100 -0.485 0.000 1.016 205 R CB 0.380 30.438 30.300 -0.404 0.000 0.918 205 R HN 0.303 nan 8.270 nan 0.000 0.473 206 L N 0.401 121.589 121.223 -0.058 0.000 2.034 206 L HA 0.088 4.428 4.340 -0.001 0.000 0.203 206 L C 2.199 179.078 176.870 0.015 0.000 1.074 206 L CA 1.783 56.627 54.840 0.007 0.000 0.748 206 L CB -0.696 41.361 42.059 -0.003 0.000 0.905 206 L HN 0.072 nan 8.230 nan 0.000 0.439 207 A N 0.245 123.051 122.820 -0.023 0.000 1.917 207 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 207 A C -0.057 177.511 177.584 -0.027 0.000 1.182 207 A CA 2.119 54.140 52.037 -0.027 0.000 0.633 207 A CB -2.159 16.807 19.000 -0.057 0.000 0.819 207 A HN 0.468 nan 8.150 nan 0.000 0.448 208 P HA -0.108 nan 4.420 nan 0.000 0.217 208 P C 1.419 178.691 177.300 -0.045 0.000 1.150 208 P CA 1.162 64.234 63.100 -0.048 0.000 0.832 208 P CB -0.122 31.581 31.700 0.006 0.000 0.787 209 R N -0.433 120.062 120.500 -0.008 0.000 2.092 209 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 209 R C 2.471 178.840 176.300 0.114 0.000 1.119 209 R CA 1.249 57.317 56.100 -0.052 0.000 0.970 209 R CB -0.550 29.793 30.300 0.073 0.000 0.864 209 R HN 0.327 nan 8.270 nan 0.000 0.440 210 Q N 0.077 119.936 119.800 0.098 0.000 2.050 210 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 210 Q C 2.155 178.209 176.000 0.091 0.000 0.980 210 Q CA 1.395 57.262 55.803 0.107 0.000 0.840 210 Q CB -0.026 28.750 28.738 0.063 0.000 0.898 210 Q HN 0.288 nan 8.270 nan 0.000 0.424 211 R N 0.124 120.651 120.500 0.044 0.000 2.081 211 R HA -0.141 4.198 4.340 -0.001 0.000 0.235 211 R C 2.332 178.659 176.300 0.045 0.000 1.131 211 R CA 0.977 57.100 56.100 0.039 0.000 0.960 211 R CB -0.441 29.866 30.300 0.011 0.000 0.856 211 R HN 0.184 nan 8.270 nan 0.000 0.436 212 L N 1.226 122.448 121.223 -0.003 0.000 2.012 212 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 212 L C 2.115 179.051 176.870 0.109 0.000 1.073 212 L CA 1.502 56.317 54.840 -0.041 0.000 0.748 212 L CB -0.724 41.134 42.059 -0.334 0.000 0.891 212 L HN 0.104 nan 8.230 nan 0.000 0.431 213 L N 0.168 121.560 121.223 0.282 0.000 1.990 213 L HA -0.211 4.128 4.340 -0.001 0.000 0.213 213 L C 2.535 179.545 176.870 0.234 0.000 1.072 213 L CA 2.383 57.429 54.840 0.344 0.000 0.755 213 L CB -1.418 40.829 42.059 0.312 0.000 0.889 213 L HN 0.348 nan 8.230 nan 0.000 0.432 214 A N -0.874 122.045 122.820 0.164 0.000 1.902 214 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 214 A C 2.430 180.085 177.584 0.117 0.000 1.181 214 A CA 1.996 54.110 52.037 0.129 0.000 0.623 214 A CB -1.154 17.904 19.000 0.096 0.000 0.818 214 A HN 0.609 nan 8.150 nan 0.000 0.443 215 A N -0.281 122.599 122.820 0.101 0.000 1.873 215 A HA -0.017 4.302 4.320 -0.001 0.000 0.215 215 A C 2.167 179.803 177.584 0.087 0.000 1.186 215 A CA 1.435 53.525 52.037 0.088 0.000 0.616 215 A CB -0.629 18.419 19.000 0.080 0.000 0.823 215 A HN 0.459 nan 8.150 nan 0.000 0.442 216 L N -0.443 120.821 121.223 0.068 0.000 2.083 216 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 216 L C 2.113 179.094 176.870 0.185 0.000 1.083 216 L CA 1.399 56.265 54.840 0.044 0.000 0.752 216 L CB -0.680 41.227 42.059 -0.253 0.000 0.899 216 L HN 0.324 nan 8.230 nan 0.000 0.433 217 D N -0.100 120.444 120.400 0.241 0.000 2.104 217 D HA -0.246 4.394 4.640 -0.001 0.000 0.194 217 D C 2.053 178.438 176.300 0.142 0.000 0.994 217 D CA 1.310 55.445 54.000 0.224 0.000 0.830 217 D CB -0.008 40.901 40.800 0.181 0.000 0.959 217 D HN 0.361 nan 8.370 nan 0.000 0.452 218 E N 0.096 120.363 120.200 0.113 0.000 2.106 218 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 218 E C 2.139 178.782 176.600 0.072 0.000 0.984 218 E CA 0.443 56.892 56.400 0.080 0.000 0.806 218 E CB 0.198 29.939 29.700 0.069 0.000 0.750 218 E HN -0.008 nan 8.360 nan 0.000 0.458 219 V N 1.839 121.803 119.914 0.083 0.000 2.287 219 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 219 V C 2.253 178.393 176.094 0.077 0.000 1.053 219 V CA 2.043 64.384 62.300 0.069 0.000 1.027 219 V CB -0.498 31.365 31.823 0.067 0.000 0.646 219 V HN 0.469 nan 8.190 nan 0.000 0.447 220 I N -0.686 119.954 120.570 0.117 0.000 3.806 220 I HA 0.108 4.277 4.170 -0.001 0.000 0.321 220 I C 2.063 178.233 176.117 0.088 0.000 1.315 220 I CA 0.688 62.060 61.300 0.120 0.000 1.148 220 I CB -0.300 37.804 38.000 0.172 0.000 1.028 220 I HN 0.257 nan 8.210 nan 0.000 0.415 221 S N 0.358 116.100 115.700 0.069 0.000 2.399 221 S HA -0.176 4.294 4.470 -0.001 0.000 0.231 221 S C 1.024 175.645 174.600 0.035 0.000 1.022 221 S CA 0.544 58.775 58.200 0.052 0.000 0.983 221 S CB -0.476 62.751 63.200 0.044 0.000 0.803 221 S HN 0.730 nan 8.310 nan 0.000 0.480 222 E N 2.155 122.369 120.200 0.023 0.000 2.217 222 E HA 0.101 4.451 4.350 -0.001 0.000 0.279 222 E C -0.798 175.810 176.600 0.013 0.000 1.068 222 E CA -0.540 55.865 56.400 0.008 0.000 0.882 222 E CB 0.356 30.047 29.700 -0.015 0.000 1.039 222 E HN 0.034 nan 8.360 nan 0.000 0.418 223 K N 4.657 125.068 120.400 0.019 0.000 2.379 223 K HA 0.243 4.562 4.320 -0.001 0.000 0.284 223 K C -0.217 176.397 176.600 0.024 0.000 1.044 223 K CA 0.079 56.384 56.287 0.029 0.000 0.974 223 K CB 0.290 32.805 32.500 0.026 0.000 0.962 223 K HN 0.486 nan 8.250 nan 0.000 0.474 224 L N 1.559 122.809 121.223 0.044 0.000 2.323 224 L HA 0.359 4.699 4.340 -0.001 0.000 0.265 224 L C 0.473 177.386 176.870 0.073 0.000 1.012 224 L CA -1.305 53.563 54.840 0.047 0.000 0.820 224 L CB 1.170 43.220 42.059 -0.014 0.000 1.334 224 L HN 0.454 nan 8.230 nan 0.000 0.427 225 N N 2.304 121.044 118.700 0.067 0.000 2.434 225 N HA 0.061 4.801 4.740 -0.001 0.000 0.268 225 N C -1.844 173.637 175.510 -0.048 0.000 1.256 225 N CA -1.390 51.643 53.050 -0.029 0.000 0.914 225 N CB 1.086 39.500 38.487 -0.122 0.000 1.088 225 N HN 0.283 nan 8.380 nan 0.000 0.478 226 P HA -0.073 nan 4.420 nan 0.000 0.222 226 P C 0.574 177.825 177.300 -0.082 0.000 1.147 226 P CA 0.858 63.938 63.100 -0.032 0.000 0.790 226 P CB 0.098 31.783 31.700 -0.026 0.000 0.780 227 A N -1.260 121.420 122.820 -0.233 0.000 2.168 227 A HA -0.140 4.179 4.320 -0.001 0.000 0.215 227 A C 1.512 179.022 177.584 -0.122 0.000 1.152 227 A CA 1.210 53.102 52.037 -0.242 0.000 0.716 227 A CB -1.289 17.485 19.000 -0.377 0.000 0.794 227 A HN 0.347 nan 8.150 nan 0.000 0.465 228 H N -3.995 115.118 119.070 0.071 0.000 3.017 228 H HA 0.232 4.788 4.556 -0.000 0.000 0.255 228 H C 0.039 175.444 175.328 0.129 0.000 0.990 228 H CA 0.241 56.340 56.048 0.085 0.000 1.205 228 H CB 0.479 30.291 29.762 0.082 0.000 1.460 228 H HN 0.634 nan 8.280 nan 0.000 0.478 229 H N -0.019 119.112 119.070 0.101 0.000 2.974 229 H HA 0.504 5.059 4.556 -0.001 0.000 0.366 229 H C -1.789 173.547 175.328 0.013 0.000 1.155 229 H CA -0.752 55.329 56.048 0.054 0.000 1.186 229 H CB 1.273 31.065 29.762 0.051 0.000 1.799 229 H HN 0.005 nan 8.280 nan 0.000 0.541 230 I N 3.614 123.734 120.570 -0.751 0.000 2.619 230 I HA 0.226 4.395 4.170 -0.001 0.000 0.292 230 I C -0.891 174.816 176.117 -0.684 0.000 1.100 230 I CA -0.801 60.164 61.300 -0.558 0.000 1.043 230 I CB 2.082 39.889 38.000 -0.321 0.000 1.239 230 I HN 0.567 nan 8.210 nan 0.000 0.420 231 D N 5.333 125.513 120.400 -0.368 0.000 2.210 231 D HA 0.635 5.275 4.640 -0.001 0.000 0.249 231 D C -0.488 175.762 176.300 -0.084 0.000 1.078 231 D CA -0.031 53.889 54.000 -0.134 0.000 0.875 231 D CB 2.233 43.071 40.800 0.064 0.000 1.175 231 D HN 0.575 nan 8.370 nan 0.000 0.440 232 A N 1.317 124.094 122.820 -0.072 0.000 2.454 232 A HA 0.670 4.989 4.320 -0.001 0.000 0.302 232 A C -0.604 176.933 177.584 -0.079 0.000 1.079 232 A CA -0.739 51.255 52.037 -0.071 0.000 0.731 232 A CB 1.624 20.553 19.000 -0.118 0.000 1.299 232 A HN 0.346 nan 8.150 nan 0.000 0.413 233 V N -0.922 118.923 119.914 -0.116 0.000 2.604 233 V HA 0.841 4.961 4.120 -0.001 0.000 0.305 233 V C -0.503 175.310 176.094 -0.469 0.000 1.043 233 V CA -0.556 61.546 62.300 -0.329 0.000 0.888 233 V CB 1.505 33.155 31.823 -0.288 0.000 0.995 233 V HN 0.991 nan 8.190 nan 0.000 0.429 234 E N 3.004 122.830 120.200 -0.623 0.000 2.241 234 E HA 0.587 4.937 4.350 -0.001 0.000 0.263 234 E C -0.350 176.138 176.600 -0.187 0.000 0.882 234 E CA -0.416 55.792 56.400 -0.319 0.000 0.769 234 E CB 2.161 31.808 29.700 -0.088 0.000 1.185 234 E HN 1.074 nan 8.360 nan 0.000 0.415 235 S N 4.057 119.813 115.700 0.094 0.000 2.693 235 S HA 0.561 5.030 4.470 -0.001 0.000 0.276 235 S C -0.201 174.554 174.600 0.257 0.000 1.192 235 S CA -0.753 57.669 58.200 0.369 0.000 0.994 235 S CB 1.703 65.121 63.200 0.363 0.000 1.012 235 S HN 0.501 nan 8.310 nan 0.000 0.550 236 K N -0.098 120.396 120.400 0.156 0.000 2.527 236 K HA 0.357 4.677 4.320 -0.001 0.000 0.260 236 K C -0.121 176.385 176.600 -0.157 0.000 0.937 236 K CA -0.704 55.560 56.287 -0.037 0.000 0.826 236 K CB 1.953 34.451 32.500 -0.004 0.000 1.359 236 K HN 0.520 nan 8.250 nan 0.000 0.434 237 L N 3.987 125.063 121.223 -0.245 0.000 2.102 237 L HA 0.289 4.629 4.340 -0.001 0.000 0.202 237 L C -0.074 176.847 176.870 0.085 0.000 1.076 237 L CA 1.431 56.202 54.840 -0.115 0.000 0.761 237 L CB 0.009 41.960 42.059 -0.180 0.000 0.921 237 L HN 0.606 nan 8.230 nan 0.000 0.444 238 F N -2.188 117.680 119.950 -0.136 0.000 2.741 238 F HA 0.722 5.248 4.527 -0.001 0.000 0.311 238 F C -0.499 175.280 175.800 -0.035 0.000 1.149 238 F CA -0.606 57.351 58.000 -0.070 0.000 0.930 238 F CB 0.385 39.363 39.000 -0.037 0.000 1.312 238 F HN -0.053 nan 8.300 nan 0.000 0.450 239 G N 1.975 110.745 108.800 -0.049 0.000 2.574 239 G HA2 0.604 4.563 3.960 -0.001 0.000 0.299 239 G HA3 0.604 4.563 3.960 -0.001 0.000 0.299 239 G C -1.413 173.578 174.900 0.151 0.000 1.298 239 G CA -1.156 43.898 45.100 -0.076 0.000 0.952 239 G HN 0.713 nan 8.290 nan 0.000 0.477 240 I N 1.382 122.017 120.570 0.108 0.000 2.668 240 I HA 0.196 4.366 4.170 -0.001 0.000 0.285 240 I C 1.612 177.754 176.117 0.042 0.000 1.168 240 I CA 1.833 63.174 61.300 0.069 0.000 1.424 240 I CB 0.261 38.239 38.000 -0.037 0.000 1.377 240 I HN 1.170 nan 8.210 nan 0.000 0.560 241 G N 5.236 114.057 108.800 0.035 0.000 2.179 241 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.260 241 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.260 241 G C 0.476 175.381 174.900 0.010 0.000 0.977 241 G CA 0.262 45.369 45.100 0.011 0.000 0.641 241 G HN 1.186 nan 8.290 nan 0.000 0.533 242 A N -0.087 122.761 122.820 0.046 0.000 2.758 242 A HA 0.579 4.899 4.320 -0.001 0.000 0.223 242 A C 1.242 178.895 177.584 0.114 0.000 0.877 242 A CA 0.965 53.022 52.037 0.033 0.000 1.152 242 A CB 0.102 19.068 19.000 -0.057 0.000 1.239 242 A HN 0.508 nan 8.150 nan 0.000 0.470 243 E N -0.170 120.117 120.200 0.145 0.000 2.358 243 E HA -0.019 4.330 4.350 -0.001 0.000 0.195 243 E C 1.004 177.654 176.600 0.082 0.000 1.010 243 E CA 1.200 57.701 56.400 0.169 0.000 0.856 243 E CB -0.209 29.508 29.700 0.029 0.000 0.795 243 E HN 0.334 nan 8.360 nan 0.000 0.504 244 S N -0.316 115.438 115.700 0.090 0.000 2.446 244 S HA 0.025 4.495 4.470 -0.001 0.000 0.225 244 S C -0.187 174.530 174.600 0.196 0.000 1.016 244 S CA 0.243 58.504 58.200 0.101 0.000 0.943 244 S CB -0.119 63.131 63.200 0.083 0.000 0.786 244 S HN 0.468 nan 8.310 nan 0.000 0.508 245 Y N 0.925 121.250 120.300 0.041 0.000 2.436 245 Y HA 0.420 4.969 4.550 -0.001 0.000 0.327 245 Y C -1.638 174.277 175.900 0.026 0.000 1.138 245 Y CA -0.897 57.225 58.100 0.037 0.000 1.042 245 Y CB 0.930 39.412 38.460 0.036 0.000 1.302 245 Y HN -0.244 nan 8.280 nan 0.000 0.439 246 T N 6.175 120.483 114.554 -0.409 0.000 2.791 246 T HA 0.318 4.668 4.350 -0.001 0.000 0.288 246 T C 0.886 175.127 174.700 -0.765 0.000 0.999 246 T CA -0.508 61.295 62.100 -0.495 0.000 0.952 246 T CB 1.480 70.227 68.868 -0.202 0.000 0.938 246 T HN 0.601 nan 8.240 nan 0.000 0.444 247 V N 2.785 122.178 119.914 -0.867 0.000 2.233 247 V HA -0.043 4.076 4.120 -0.001 0.000 0.247 247 V C 1.967 177.670 176.094 -0.652 0.000 1.050 247 V CA 1.897 63.765 62.300 -0.719 0.000 1.010 247 V CB -0.692 30.845 31.823 -0.478 0.000 0.637 247 V HN 0.999 nan 8.190 nan 0.000 0.444 248 G N 1.476 109.915 108.800 -0.602 0.000 3.064 248 G HA2 0.364 4.324 3.960 -0.001 0.000 0.286 248 G HA3 0.364 4.324 3.960 -0.001 0.000 0.286 248 G C 0.331 175.108 174.900 -0.204 0.000 0.834 248 G CA 0.456 45.129 45.100 -0.712 0.000 1.856 248 G HN 0.575 nan 8.290 nan 0.000 0.559 249 S N 1.449 117.064 115.700 -0.141 0.000 2.661 249 S HA 0.128 4.598 4.470 -0.001 0.000 0.265 249 S C 1.618 176.347 174.600 0.216 0.000 1.225 249 S CA -0.214 58.026 58.200 0.066 0.000 0.986 249 S CB 1.174 64.428 63.200 0.091 0.000 1.008 249 S HN 0.392 nan 8.310 nan 0.000 0.565 250 N N 1.183 120.016 118.700 0.222 0.000 2.043 250 N HA -0.198 4.541 4.740 -0.001 0.000 0.193 250 N C 1.348 177.033 175.510 0.291 0.000 1.037 250 N CA 2.254 55.495 53.050 0.318 0.000 0.851 250 N CB -0.915 37.820 38.487 0.413 0.000 1.027 250 N HN 0.721 nan 8.380 nan 0.000 0.422 251 E N -0.438 119.899 120.200 0.228 0.000 2.110 251 E HA -0.070 4.280 4.350 -0.001 0.000 0.193 251 E C 1.714 178.390 176.600 0.128 0.000 0.988 251 E CA 0.782 57.279 56.400 0.161 0.000 0.804 251 E CB -0.610 29.167 29.700 0.127 0.000 0.745 251 E HN 0.501 nan 8.360 nan 0.000 0.458 252 F N 0.102 120.054 119.950 0.003 0.000 2.134 252 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 252 F C 0.545 176.324 175.800 -0.036 0.000 1.097 252 F CA 0.987 58.932 58.000 -0.092 0.000 1.264 252 F CB -0.058 38.760 39.000 -0.305 0.000 1.001 252 F HN -0.098 nan 8.300 nan 0.000 0.479 256 Y N 2.225 122.395 120.300 -0.216 0.000 2.097 256 Y HA 0.105 4.655 4.550 -0.000 0.000 0.282 256 Y C 3.032 178.923 175.900 -0.015 0.000 1.152 256 Y CA 3.051 61.066 58.100 -0.143 0.000 1.136 256 Y CB -0.256 38.159 38.460 -0.075 0.000 0.975 256 Y HN 0.298 nan 8.280 nan 0.000 0.498 257 A N -1.134 121.766 122.820 0.133 0.000 1.908 257 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 257 A C 2.235 179.808 177.584 -0.018 0.000 1.181 257 A CA 2.347 54.431 52.037 0.079 0.000 0.627 257 A CB -1.282 17.800 19.000 0.136 0.000 0.818 257 A HN 0.514 nan 8.150 nan 0.000 0.445 258 T N 0.249 114.789 114.554 -0.023 0.000 2.812 258 T HA -0.113 4.236 4.350 -0.001 0.000 0.264 258 T C 2.379 177.038 174.700 -0.068 0.000 1.042 258 T CA 1.909 64.000 62.100 -0.015 0.000 1.140 258 T CB -0.363 68.480 68.868 -0.043 0.000 0.870 258 T HN 0.785 nan 8.240 nan 0.000 0.445 259 S N 1.222 116.837 115.700 -0.143 0.000 2.406 259 S HA 0.033 4.502 4.470 -0.001 0.000 0.228 259 S C 1.902 176.372 174.600 -0.216 0.000 1.020 259 S CA 0.524 58.623 58.200 -0.169 0.000 0.965 259 S CB -0.158 62.931 63.200 -0.185 0.000 0.798 259 S HN 0.198 nan 8.310 nan 0.000 0.488 260 R N 0.685 120.979 120.500 -0.343 0.000 2.334 260 R HA 0.344 4.684 4.340 -0.001 0.000 0.216 260 R C 0.009 176.220 176.300 -0.149 0.000 0.905 260 R CA 0.086 56.004 56.100 -0.305 0.000 1.064 260 R CB -0.243 29.707 30.300 -0.584 0.000 1.046 260 R HN 0.259 nan 8.270 nan 0.000 0.508 261 Q N 0.170 119.909 119.800 -0.103 0.000 2.468 261 Q HA -0.166 4.174 4.340 -0.001 0.000 0.289 261 Q C -0.335 175.659 176.000 -0.010 0.000 1.299 261 Q CA 1.552 57.333 55.803 -0.037 0.000 0.838 261 Q CB -2.492 26.232 28.738 -0.022 0.000 1.195 261 Q HN 0.559 nan 8.270 nan 0.000 0.456 262 T N -3.555 111.003 114.554 0.007 0.000 2.897 262 T HA 0.789 5.138 4.350 -0.001 0.000 0.278 262 T C 0.560 175.284 174.700 0.039 0.000 0.981 262 T CA -0.261 61.866 62.100 0.045 0.000 0.973 262 T CB 1.931 70.877 68.868 0.130 0.000 1.092 262 T HN 0.399 nan 8.240 nan 0.000 0.543 263 A N 0.432 123.260 122.820 0.015 0.000 2.366 263 A HA 0.609 4.928 4.320 -0.001 0.000 0.249 263 A C -0.379 177.217 177.584 0.021 0.000 1.084 263 A CA -0.665 51.377 52.037 0.010 0.000 0.794 263 A CB -0.109 18.868 19.000 -0.038 0.000 1.034 263 A HN 0.905 nan 8.150 nan 0.000 0.491 264 L N 1.389 122.626 121.223 0.023 0.000 2.362 264 L HA 0.563 4.902 4.340 -0.001 0.000 0.275 264 L C -0.490 176.366 176.870 -0.024 0.000 0.998 264 L CA -0.337 54.519 54.840 0.026 0.000 0.820 264 L CB 1.345 43.449 42.059 0.075 0.000 1.270 264 L HN 0.793 nan 8.230 nan 0.000 0.415 265 C N 6.470 125.722 119.300 -0.080 0.000 2.307 265 C HA 0.637 5.096 4.460 -0.001 0.000 0.340 265 C C -0.309 174.637 174.990 -0.074 0.000 1.275 265 C CA -0.825 58.096 59.018 -0.162 0.000 1.811 265 C CB -0.572 26.982 27.740 -0.310 0.000 2.372 265 C HN 0.784 nan 8.230 nan 0.000 0.531 266 L N 6.238 127.429 121.223 -0.054 0.000 2.305 266 L HA 0.425 4.765 4.340 -0.001 0.000 0.284 266 L C -0.095 176.811 176.870 0.059 0.000 1.013 266 L CA -0.039 54.852 54.840 0.085 0.000 0.819 266 L CB 1.098 43.181 42.059 0.041 0.000 1.227 266 L HN 0.664 nan 8.230 nan 0.000 0.417 267 D N 2.620 123.125 120.400 0.174 0.000 2.373 267 D HA 0.259 4.899 4.640 -0.001 0.000 0.227 267 D C 0.774 177.220 176.300 0.243 0.000 1.091 267 D CA -0.190 53.818 54.000 0.014 0.000 0.840 267 D CB 2.257 42.645 40.800 -0.685 0.000 1.060 267 D HN 0.649 nan 8.370 nan 0.000 0.502 268 A N 2.993 125.898 122.820 0.141 0.000 2.084 268 A HA -0.075 4.244 4.320 -0.001 0.000 0.221 268 A C 1.722 179.417 177.584 0.184 0.000 1.161 268 A CA 1.643 53.762 52.037 0.136 0.000 0.653 268 A CB -0.106 18.930 19.000 0.059 0.000 0.802 268 A HN 0.597 nan 8.150 nan 0.000 0.457 269 G N -3.131 105.787 108.800 0.197 0.000 3.126 269 G HA2 0.177 4.137 3.960 -0.001 0.000 0.224 269 G HA3 0.177 4.137 3.960 -0.001 0.000 0.224 269 G C 0.806 175.833 174.900 0.212 0.000 1.142 269 G CA 0.031 45.233 45.100 0.171 0.000 0.759 269 G HN 0.749 nan 8.290 nan 0.000 0.550 270 H N -0.762 118.330 119.070 0.038 0.000 2.517 270 H HA 0.311 4.866 4.556 -0.001 0.000 0.282 270 H C -0.137 174.951 175.328 -0.401 0.000 1.023 270 H CA -0.252 55.668 56.048 -0.212 0.000 1.169 270 H CB 0.466 30.029 29.762 -0.331 0.000 1.454 270 H HN 0.247 nan 8.280 nan 0.000 0.556 271 F N -0.850 119.170 119.950 0.117 0.000 2.732 271 F HA 0.257 4.784 4.527 -0.001 0.000 0.394 271 F C 0.792 176.628 175.800 0.061 0.000 1.194 271 F CA -1.059 56.996 58.000 0.092 0.000 1.127 271 F CB 0.311 39.406 39.000 0.157 0.000 1.470 271 F HN 0.006 nan 8.300 nan 0.000 0.505 272 H N -0.056 119.234 119.070 0.367 0.000 2.671 272 H HA 0.223 4.779 4.556 -0.001 0.000 0.372 272 H C -2.263 173.183 175.328 0.197 0.000 1.227 272 H CA -1.098 55.095 56.048 0.242 0.000 1.426 272 H CB -0.400 29.474 29.762 0.187 0.000 1.480 272 H HN 0.056 nan 8.280 nan 0.000 0.611 273 P HA -0.088 nan 4.420 nan 0.000 0.264 273 P C 0.719 178.112 177.300 0.155 0.000 1.183 273 P CA 1.224 64.436 63.100 0.187 0.000 0.763 273 P CB 0.437 32.224 31.700 0.145 0.000 0.807 274 T N -0.984 113.636 114.554 0.110 0.000 8.650 274 T HA -0.315 4.034 4.350 -0.001 0.000 0.321 274 T C 0.279 175.021 174.700 0.070 0.000 2.013 274 T CA 1.206 63.350 62.100 0.073 0.000 3.192 274 T CB -2.328 66.572 68.868 0.052 0.000 2.061 274 T HN 0.555 nan 8.240 nan 0.000 1.035 275 E N 1.722 121.995 120.200 0.122 0.000 2.366 275 E HA 0.458 4.808 4.350 -0.001 0.000 0.266 275 E C 0.286 176.901 176.600 0.024 0.000 1.015 275 E CA -0.043 56.418 56.400 0.102 0.000 0.906 275 E CB 0.928 30.779 29.700 0.252 0.000 0.979 275 E HN 0.841 nan 8.360 nan 0.000 0.443 276 V N 3.711 123.587 119.914 -0.063 0.000 2.540 276 V HA 0.307 4.427 4.120 -0.001 0.000 0.302 276 V C 0.973 176.948 176.094 -0.197 0.000 1.035 276 V CA -0.628 61.611 62.300 -0.101 0.000 0.873 276 V CB 1.291 33.078 31.823 -0.060 0.000 0.992 276 V HN 0.836 nan 8.190 nan 0.000 0.428 277 I N 1.740 122.178 120.570 -0.219 0.000 2.676 277 I HA -0.032 4.137 4.170 -0.001 0.000 0.259 277 I C 2.274 178.310 176.117 -0.136 0.000 1.194 277 I CA 1.741 62.893 61.300 -0.247 0.000 1.473 277 I CB -0.263 37.612 38.000 -0.207 0.000 1.096 277 I HN 0.775 nan 8.210 nan 0.000 0.443 278 S N 1.354 116.996 115.700 -0.096 0.000 2.374 278 S HA -0.331 4.139 4.470 -0.001 0.000 0.227 278 S C 1.696 176.263 174.600 -0.054 0.000 1.037 278 S CA 1.891 60.052 58.200 -0.066 0.000 1.024 278 S CB -0.934 62.231 63.200 -0.059 0.000 0.861 278 S HN 0.693 nan 8.310 nan 0.000 0.456 279 D N 1.411 121.771 120.400 -0.067 0.000 2.178 279 D HA -0.066 4.574 4.640 -0.001 0.000 0.202 279 D C 1.902 178.172 176.300 -0.051 0.000 0.974 279 D CA 1.132 55.101 54.000 -0.051 0.000 0.841 279 D CB -0.194 40.572 40.800 -0.056 0.000 0.953 279 D HN 0.496 nan 8.370 nan 0.000 0.478 280 K N -0.198 120.153 120.400 -0.081 0.000 2.283 280 K HA -0.022 4.298 4.320 -0.001 0.000 0.202 280 K C 2.117 178.697 176.600 -0.034 0.000 1.048 280 K CA 0.528 56.773 56.287 -0.069 0.000 0.948 280 K CB 0.061 32.481 32.500 -0.133 0.000 0.742 280 K HN 0.306 nan 8.250 nan 0.000 0.458 281 I N 1.380 121.931 120.570 -0.032 0.000 2.118 281 I HA -0.364 3.805 4.170 -0.001 0.000 0.241 281 I C 2.543 178.648 176.117 -0.021 0.000 1.070 281 I CA 1.801 63.093 61.300 -0.014 0.000 1.327 281 I CB -0.582 37.419 38.000 0.002 0.000 1.034 281 I HN 0.211 nan 8.210 nan 0.000 0.405 282 S N 1.012 116.684 115.700 -0.045 0.000 2.423 282 S HA -0.065 4.405 4.470 -0.001 0.000 0.231 282 S C 2.121 176.670 174.600 -0.084 0.000 1.014 282 S CA 0.748 58.866 58.200 -0.137 0.000 0.965 282 S CB -0.465 62.588 63.200 -0.246 0.000 0.785 282 S HN 0.428 nan 8.310 nan 0.000 0.495 283 A N 2.555 125.365 122.820 -0.018 0.000 1.872 283 A HA 0.554 4.873 4.320 -0.001 0.000 0.214 283 A C 1.665 179.330 177.584 0.135 0.000 1.187 283 A CA 0.868 52.939 52.037 0.057 0.000 0.614 283 A CB -1.393 17.650 19.000 0.070 0.000 0.826 283 A HN 0.845 nan 8.150 nan 0.000 0.442 287 Y N -0.151 120.138 120.300 -0.018 0.000 2.425 287 Y HA 0.368 4.917 4.550 -0.000 0.000 0.261 287 Y C 0.585 176.478 175.900 -0.012 0.000 1.084 287 Y CA -0.424 57.667 58.100 -0.015 0.000 1.248 287 Y CB 1.156 39.609 38.460 -0.011 0.000 1.270 287 Y HN -0.066 nan 8.280 nan 0.000 0.524 288 V N -1.867 118.125 119.914 0.131 0.000 2.769 288 V HA 0.531 4.650 4.120 -0.001 0.000 0.312 288 V C -2.035 174.085 176.094 0.044 0.000 1.061 288 V CA -2.040 60.309 62.300 0.081 0.000 0.931 288 V CB 2.257 34.132 31.823 0.087 0.000 1.010 288 V HN -0.181 nan 8.190 nan 0.000 0.433 289 P HA 0.065 nan 4.420 nan 0.000 0.218 289 P C 0.175 177.498 177.300 0.038 0.000 1.152 289 P CA 0.973 64.089 63.100 0.026 0.000 0.826 289 P CB 0.455 32.168 31.700 0.023 0.000 0.790 290 Q N -1.557 118.275 119.800 0.053 0.000 2.511 290 Q HA 0.654 4.994 4.340 -0.001 0.000 0.289 290 Q C -1.584 174.466 176.000 0.083 0.000 1.021 290 Q CA -0.616 55.239 55.803 0.086 0.000 0.785 290 Q CB 2.074 30.901 28.738 0.149 0.000 1.472 290 Q HN -0.100 nan 8.270 nan 0.000 0.411 291 L N 1.734 123.020 121.223 0.105 0.000 2.381 291 L HA 0.608 4.948 4.340 -0.001 0.000 0.268 291 L C -1.393 175.542 176.870 0.109 0.000 0.997 291 L CA -1.072 53.809 54.840 0.067 0.000 0.818 291 L CB 1.879 43.950 42.059 0.021 0.000 1.310 291 L HN 0.493 nan 8.230 nan 0.000 0.416 292 L N 4.097 125.332 121.223 0.019 0.000 2.305 292 L HA 0.550 4.889 4.340 -0.001 0.000 0.284 292 L C -1.128 175.679 176.870 -0.106 0.000 1.013 292 L CA -0.037 54.786 54.840 -0.028 0.000 0.819 292 L CB 1.213 43.186 42.059 -0.144 0.000 1.227 292 L HN 0.405 nan 8.230 nan 0.000 0.417 293 L N 5.810 127.003 121.223 -0.051 0.000 2.280 293 L HA 0.434 4.773 4.340 -0.001 0.000 0.287 293 L C -0.483 176.406 176.870 0.033 0.000 1.023 293 L CA -0.466 54.350 54.840 -0.039 0.000 0.819 293 L CB 0.839 42.885 42.059 -0.021 0.000 1.212 293 L HN 0.632 nan 8.230 nan 0.000 0.420 294 H N 2.652 121.692 119.070 -0.051 0.000 2.594 294 H HA 0.370 4.926 4.556 -0.000 0.000 0.304 294 H C -0.332 174.961 175.328 -0.058 0.000 1.068 294 H CA -0.864 55.137 56.048 -0.078 0.000 1.308 294 H CB 1.768 31.446 29.762 -0.139 0.000 1.409 294 H HN 0.444 nan 8.280 nan 0.000 0.460 295 V N 2.255 122.213 119.914 0.074 0.000 2.472 295 V HA 0.738 4.858 4.120 -0.001 0.000 0.290 295 V C 0.032 176.178 176.094 0.088 0.000 1.037 295 V CA -0.496 61.838 62.300 0.057 0.000 0.908 295 V CB 1.296 33.143 31.823 0.039 0.000 0.985 295 V HN 0.804 nan 8.190 nan 0.000 0.454 296 S N 3.571 119.323 115.700 0.086 0.000 2.587 296 S HA 0.599 5.068 4.470 -0.001 0.000 0.269 296 S C -0.955 173.665 174.600 0.034 0.000 1.154 296 S CA -1.057 57.213 58.200 0.116 0.000 0.824 296 S CB 1.896 65.197 63.200 0.169 0.000 1.118 296 S HN 1.216 nan 8.310 nan 0.000 0.462 297 R N 1.777 122.274 120.500 -0.005 0.000 2.246 297 R HA 0.537 4.877 4.340 -0.001 0.000 0.332 297 R C -2.725 173.535 176.300 -0.066 0.000 0.974 297 R CA -1.941 54.133 56.100 -0.043 0.000 0.837 297 R CB 1.150 31.405 30.300 -0.076 0.000 1.145 297 R HN 0.542 nan 8.270 nan 0.000 0.467 298 P HA 0.121 nan 4.420 nan 0.000 0.285 298 P C -0.992 176.205 177.300 -0.172 0.000 1.259 298 P CA -0.348 62.671 63.100 -0.135 0.000 0.794 298 P CB 1.789 33.458 31.700 -0.051 0.000 0.940 299 V N 6.113 125.873 119.914 -0.257 0.000 2.398 299 V HA 0.302 4.422 4.120 -0.001 0.000 0.282 299 V C 1.053 177.144 176.094 -0.005 0.000 1.014 299 V CA -0.583 61.577 62.300 -0.232 0.000 0.838 299 V CB 0.809 32.293 31.823 -0.566 0.000 1.018 299 V HN 0.614 nan 8.190 nan 0.000 0.432 300 R N 1.291 121.847 120.500 0.092 0.000 3.943 300 R HA -0.162 4.177 4.340 -0.001 0.000 0.459 300 R C -0.014 176.544 176.300 0.429 0.000 0.939 300 R CA 2.144 58.383 56.100 0.231 0.000 1.515 300 R CB -1.307 29.134 30.300 0.235 0.000 2.164 300 R HN 0.999 nan 8.270 nan 0.000 0.516 301 W N -1.669 119.700 121.300 0.114 0.000 2.900 301 W HA 0.282 4.941 4.660 -0.001 0.000 0.382 301 W C -1.374 175.194 176.519 0.082 0.000 1.108 301 W CA -0.759 56.705 57.345 0.199 0.000 1.132 301 W CB -0.111 29.518 29.460 0.281 0.000 1.474 301 W HN -0.165 nan 8.180 nan 0.000 0.566 302 D N 1.767 122.022 120.400 -0.242 0.000 2.736 302 D HA 0.100 4.740 4.640 -0.001 0.000 0.228 302 D C 1.586 177.173 176.300 -1.190 0.000 1.077 302 D CA 0.866 54.529 54.000 -0.563 0.000 1.096 302 D CB -0.145 40.320 40.800 -0.558 0.000 1.138 302 D HN 0.410 nan 8.370 nan 0.000 0.461 303 S N 0.129 114.994 115.700 -1.392 0.000 2.515 303 S HA -0.106 4.363 4.470 -0.001 0.000 0.231 303 S C 0.613 174.911 174.600 -0.503 0.000 0.987 303 S CA -0.068 57.300 58.200 -1.386 0.000 0.936 303 S CB 0.071 62.795 63.200 -0.793 0.000 0.766 303 S HN 0.342 nan 8.310 nan 0.000 0.528 304 D N 1.230 121.454 120.400 -0.294 0.000 2.723 304 D HA -0.135 4.504 4.640 -0.001 0.000 0.236 304 D C -0.358 175.932 176.300 -0.017 0.000 1.138 304 D CA 0.899 54.857 54.000 -0.069 0.000 0.676 304 D CB -1.830 38.960 40.800 -0.016 0.000 1.069 304 D HN 0.592 nan 8.370 nan 0.000 0.430 305 H N -1.457 117.513 119.070 -0.168 0.000 2.603 305 H HA 0.383 4.938 4.556 -0.001 0.000 0.370 305 H C 0.730 175.841 175.328 -0.362 0.000 1.225 305 H CA -0.328 55.596 56.048 -0.207 0.000 1.410 305 H CB 0.683 30.330 29.762 -0.192 0.000 1.495 305 H HN -0.162 nan 8.280 nan 0.000 0.602 306 V N 2.216 121.848 119.914 -0.470 0.000 2.673 306 V HA -0.048 4.072 4.120 -0.001 0.000 0.303 306 V C 0.195 175.922 176.094 -0.612 0.000 1.046 306 V CA -0.281 61.397 62.300 -1.037 0.000 1.126 306 V CB 0.553 31.944 31.823 -0.721 0.000 0.934 306 V HN 0.434 nan 8.190 nan 0.000 0.487 307 V N 6.885 126.385 119.914 -0.691 0.000 2.599 307 V HA 0.070 4.189 4.120 -0.001 0.000 0.300 307 V C 0.336 176.324 176.094 -0.177 0.000 1.034 307 V CA 0.446 62.601 62.300 -0.241 0.000 1.115 307 V CB 0.145 31.936 31.823 -0.054 0.000 0.934 307 V HN 0.556 nan 8.190 nan 0.000 0.485 308 L N 4.664 125.814 121.223 -0.121 0.000 2.313 308 L HA 0.538 4.877 4.340 -0.001 0.000 0.268 308 L C -0.323 176.493 176.870 -0.090 0.000 1.010 308 L CA -1.081 53.705 54.840 -0.091 0.000 0.814 308 L CB 1.491 43.506 42.059 -0.074 0.000 1.304 308 L HN 0.399 nan 8.230 nan 0.000 0.441 309 L N 2.737 123.908 121.223 -0.085 0.000 2.356 309 L HA 0.286 4.625 4.340 -0.001 0.000 0.282 309 L C -0.599 176.214 176.870 -0.095 0.000 1.132 309 L CA 0.221 54.991 54.840 -0.117 0.000 0.923 309 L CB -0.875 41.111 42.059 -0.121 0.000 1.278 309 L HN 0.662 nan 8.230 nan 0.000 0.436 310 D N 0.619 120.960 120.400 -0.098 0.000 2.732 310 D HA 0.278 4.917 4.640 -0.001 0.000 0.292 310 D C 0.328 176.578 176.300 -0.084 0.000 1.135 310 D CA -0.564 53.390 54.000 -0.078 0.000 1.071 310 D CB 0.519 41.280 40.800 -0.065 0.000 1.457 310 D HN 0.159 nan 8.370 nan 0.000 0.547 311 D N -0.413 119.947 120.400 -0.067 0.000 2.106 311 D HA -0.189 4.450 4.640 -0.001 0.000 0.191 311 D C 1.465 177.722 176.300 -0.070 0.000 0.997 311 D CA 1.702 55.662 54.000 -0.067 0.000 0.834 311 D CB -0.002 40.769 40.800 -0.049 0.000 0.956 311 D HN 0.600 nan 8.370 nan 0.000 0.448 312 E N 0.258 120.422 120.200 -0.060 0.000 2.107 312 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 312 E C 1.904 178.464 176.600 -0.068 0.000 0.982 312 E CA 1.241 57.607 56.400 -0.057 0.000 0.809 312 E CB -0.279 29.396 29.700 -0.041 0.000 0.756 312 E HN 0.081 nan 8.360 nan 0.000 0.459 313 T N 0.341 114.850 114.554 -0.075 0.000 2.746 313 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 313 T C 1.669 176.303 174.700 -0.111 0.000 1.039 313 T CA 1.472 63.522 62.100 -0.084 0.000 1.142 313 T CB -0.295 68.519 68.868 -0.090 0.000 0.866 313 T HN 0.161 nan 8.240 nan 0.000 0.444 314 Q N 1.385 121.108 119.800 -0.128 0.000 2.079 314 Q HA 0.082 4.422 4.340 -0.001 0.000 0.200 314 Q C 2.302 178.224 176.000 -0.130 0.000 0.974 314 Q CA 1.766 57.476 55.803 -0.155 0.000 0.840 314 Q CB -0.737 27.898 28.738 -0.171 0.000 0.898 314 Q HN 0.490 nan 8.270 nan 0.000 0.430 315 A N 0.182 122.940 122.820 -0.103 0.000 1.902 315 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 315 A C 2.151 179.682 177.584 -0.090 0.000 1.181 315 A CA 1.531 53.515 52.037 -0.089 0.000 0.623 315 A CB -0.759 18.198 19.000 -0.070 0.000 0.818 315 A HN 0.477 nan 8.150 nan 0.000 0.443 316 I N -0.314 120.204 120.570 -0.087 0.000 2.142 316 I HA -0.295 3.874 4.170 -0.001 0.000 0.240 316 I C 3.015 179.067 176.117 -0.108 0.000 1.078 316 I CA 1.136 62.386 61.300 -0.084 0.000 1.343 316 I CB -0.376 37.582 38.000 -0.071 0.000 1.046 316 I HN 0.361 nan 8.210 nan 0.000 0.405 317 A N 0.061 122.806 122.820 -0.125 0.000 1.908 317 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 317 A C 2.475 179.960 177.584 -0.165 0.000 1.181 317 A CA 2.362 54.308 52.037 -0.151 0.000 0.627 317 A CB -0.824 18.079 19.000 -0.163 0.000 0.818 317 A HN 0.410 nan 8.150 nan 0.000 0.445 318 S N -0.257 115.351 115.700 -0.154 0.000 2.368 318 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 318 S C 1.902 176.383 174.600 -0.198 0.000 1.030 318 S CA 1.315 59.417 58.200 -0.163 0.000 0.999 318 S CB -0.290 62.828 63.200 -0.138 0.000 0.844 318 S HN 0.589 nan 8.310 nan 0.000 0.459 319 E N 1.159 121.265 120.200 -0.155 0.000 2.077 319 E HA -0.064 4.286 4.350 -0.001 0.000 0.193 319 E C 2.051 178.551 176.600 -0.168 0.000 0.989 319 E CA 0.699 57.016 56.400 -0.140 0.000 0.800 319 E CB -0.454 29.240 29.700 -0.011 0.000 0.746 319 E HN 0.508 nan 8.360 nan 0.000 0.452 320 I N 0.551 121.024 120.570 -0.161 0.000 2.118 320 I HA -0.285 3.885 4.170 -0.001 0.000 0.241 320 I C 2.455 178.395 176.117 -0.295 0.000 1.070 320 I CA 1.070 62.246 61.300 -0.207 0.000 1.327 320 I CB -0.322 37.535 38.000 -0.238 0.000 1.034 320 I HN -0.054 nan 8.210 nan 0.000 0.405 321 V N 0.438 120.171 119.914 -0.300 0.000 2.323 321 V HA -0.213 3.906 4.120 -0.001 0.000 0.244 321 V C 2.502 178.468 176.094 -0.213 0.000 1.041 321 V CA 1.667 63.805 62.300 -0.270 0.000 1.025 321 V CB -0.713 30.995 31.823 -0.193 0.000 0.656 321 V HN 0.333 nan 8.190 nan 0.000 0.451 322 R N -0.471 119.840 120.500 -0.316 0.000 2.105 322 R HA -0.137 4.203 4.340 -0.001 0.000 0.239 322 R C 1.918 177.957 176.300 -0.435 0.000 1.135 322 R CA 1.394 57.251 56.100 -0.407 0.000 0.967 322 R CB -0.305 29.638 30.300 -0.596 0.000 0.861 322 R HN 0.616 nan 8.270 nan 0.000 0.442 323 H N -0.351 118.691 119.070 -0.046 0.000 2.524 323 H HA 0.055 4.611 4.556 -0.001 0.000 0.280 323 H C -0.107 175.215 175.328 -0.011 0.000 1.018 323 H CA 0.038 56.066 56.048 -0.032 0.000 1.165 323 H CB -0.098 29.637 29.762 -0.045 0.000 1.411 323 H HN 0.129 nan 8.280 nan 0.000 0.569 324 D N 0.649 121.075 120.400 0.043 0.000 2.689 324 D HA -0.192 4.448 4.640 -0.001 0.000 0.237 324 D C 0.375 176.755 176.300 0.134 0.000 1.148 324 D CA 0.126 54.226 54.000 0.168 0.000 0.656 324 D CB -1.451 39.463 40.800 0.190 0.000 1.050 324 D HN 0.387 nan 8.370 nan 0.000 0.426 325 L N 0.013 121.184 121.223 -0.087 0.000 2.660 325 L HA 0.135 4.475 4.340 -0.001 0.000 0.238 325 L C 1.766 178.553 176.870 -0.139 0.000 1.161 325 L CA -0.371 54.413 54.840 -0.093 0.000 0.937 325 L CB -0.321 41.674 42.059 -0.107 0.000 1.122 325 L HN 0.164 nan 8.230 nan 0.000 0.435 326 F N 0.434 120.347 119.950 -0.062 0.000 2.111 326 F HA -0.331 4.195 4.527 -0.001 0.000 0.300 326 F C 1.985 177.722 175.800 -0.105 0.000 1.088 326 F CA 1.555 59.510 58.000 -0.075 0.000 1.243 326 F CB -0.218 38.752 39.000 -0.049 0.000 0.996 326 F HN 0.249 nan 8.300 nan 0.000 0.483 327 D N -1.305 119.153 120.400 0.096 0.000 2.369 327 D HA 0.084 4.724 4.640 -0.001 0.000 0.211 327 D C 1.788 178.055 176.300 -0.054 0.000 1.077 327 D CA 0.285 54.294 54.000 0.015 0.000 0.842 327 D CB 0.145 40.973 40.800 0.047 0.000 0.947 327 D HN 0.281 nan 8.370 nan 0.000 0.509 328 R N -0.040 120.406 120.500 -0.091 0.000 2.509 328 R HA 0.219 4.559 4.340 -0.001 0.000 0.297 328 R C -0.126 176.077 176.300 -0.163 0.000 0.951 328 R CA 0.047 56.100 56.100 -0.078 0.000 1.103 328 R CB 2.014 32.302 30.300 -0.021 0.000 1.283 328 R HN -0.077 nan 8.270 nan 0.000 0.534 329 V N 1.992 121.720 119.914 -0.310 0.000 2.581 329 V HA 0.335 4.454 4.120 -0.001 0.000 0.303 329 V C -0.422 175.326 176.094 -0.577 0.000 1.041 329 V CA -0.729 61.395 62.300 -0.293 0.000 0.907 329 V CB 2.147 33.855 31.823 -0.191 0.000 0.994 329 V HN 0.187 nan 8.190 nan 0.000 0.442 330 H N 4.717 123.766 119.070 -0.036 0.000 2.727 330 H HA 0.506 5.061 4.556 -0.001 0.000 0.330 330 H C -0.821 174.494 175.328 -0.023 0.000 0.986 330 H CA -0.365 55.670 56.048 -0.022 0.000 1.251 330 H CB 1.927 31.678 29.762 -0.018 0.000 1.493 330 H HN 0.453 nan 8.280 nan 0.000 0.515 331 I N 2.536 123.134 120.570 0.046 0.000 2.331 331 I HA 0.403 4.572 4.170 -0.001 0.000 0.292 331 I C 0.800 176.953 176.117 0.060 0.000 0.998 331 I CA -0.212 61.105 61.300 0.030 0.000 1.267 331 I CB 1.603 39.592 38.000 -0.018 0.000 1.386 331 I HN 0.556 nan 8.210 nan 0.000 0.476 332 G N 6.312 115.168 108.800 0.094 0.000 2.619 332 G HA2 0.704 4.664 3.960 -0.001 0.000 0.296 332 G HA3 0.704 4.664 3.960 -0.001 0.000 0.296 332 G C -1.152 173.731 174.900 -0.029 0.000 1.334 332 G CA -0.717 44.424 45.100 0.068 0.000 0.934 332 G HN 0.371 nan 8.290 nan 0.000 0.476 333 L N 0.677 121.772 121.223 -0.213 0.000 2.325 333 L HA 0.493 4.832 4.340 -0.001 0.000 0.279 333 L C -0.585 175.767 176.870 -0.862 0.000 1.054 333 L CA -0.590 53.984 54.840 -0.444 0.000 0.804 333 L CB 1.843 43.555 42.059 -0.578 0.000 1.200 333 L HN 0.471 nan 8.230 nan 0.000 0.436 334 D N 3.009 122.975 120.400 -0.723 0.000 2.968 334 D HA 0.241 4.881 4.640 -0.001 0.000 0.301 334 D C -1.135 175.001 176.300 -0.273 0.000 1.226 334 D CA -0.207 53.440 54.000 -0.588 0.000 0.746 334 D CB 0.235 40.725 40.800 -0.516 0.000 1.278 334 D HN 0.190 nan 8.370 nan 0.000 0.544 335 F N -0.510 119.230 119.950 -0.349 0.000 2.631 335 F HA 0.850 5.376 4.527 -0.001 0.000 0.328 335 F C -1.519 174.427 175.800 0.242 0.000 1.067 335 F CA -1.607 56.365 58.000 -0.046 0.000 0.969 335 F CB 1.301 40.258 39.000 -0.071 0.000 1.332 335 F HN -0.120 nan 8.300 nan 0.000 0.490 336 F N 1.833 121.956 119.950 0.288 0.000 2.730 336 F HA 0.462 4.989 4.527 -0.001 0.000 0.335 336 F C -1.984 173.865 175.800 0.081 0.000 1.212 336 F CA -1.203 56.918 58.000 0.202 0.000 1.016 336 F CB 1.097 40.196 39.000 0.165 0.000 1.290 336 F HN 0.654 nan 8.300 nan 0.000 0.495 337 D N 4.444 124.547 120.400 -0.495 0.000 2.549 337 D HA 0.602 5.241 4.640 -0.001 0.000 0.251 337 D C -0.470 175.435 176.300 -0.659 0.000 1.153 337 D CA -0.142 53.499 54.000 -0.598 0.000 0.861 337 D CB 2.112 42.694 40.800 -0.364 0.000 1.207 337 D HN 0.626 nan 8.370 nan 0.000 0.543 338 A N 2.573 124.985 122.820 -0.680 0.000 2.500 338 A HA 0.182 4.502 4.320 -0.001 0.000 0.267 338 A C 1.257 178.757 177.584 -0.139 0.000 1.290 338 A CA 0.264 52.090 52.037 -0.351 0.000 0.928 338 A CB -0.116 18.725 19.000 -0.265 0.000 1.066 338 A HN 0.423 nan 8.150 nan 0.000 0.516 339 S N -0.151 115.440 115.700 -0.182 0.000 2.535 339 S HA 0.369 4.839 4.470 -0.001 0.000 0.214 339 S C 0.591 175.115 174.600 -0.126 0.000 0.980 339 S CA 0.213 58.370 58.200 -0.073 0.000 0.907 339 S CB -0.754 62.391 63.200 -0.092 0.000 0.790 339 S HN 0.682 nan 8.310 nan 0.000 0.510 340 I N -1.908 118.451 120.570 -0.352 0.000 3.239 340 I HA 0.524 4.694 4.170 -0.001 0.000 0.314 340 I C -0.410 175.101 176.117 -1.010 0.000 1.126 340 I CA -1.301 59.580 61.300 -0.697 0.000 0.973 340 I CB 1.062 38.845 38.000 -0.362 0.000 1.252 340 I HN -0.137 nan 8.210 nan 0.000 0.463 341 N N 1.900 119.933 118.700 -1.112 0.000 2.411 341 N HA 0.020 4.760 4.740 -0.001 0.000 0.261 341 N C 0.630 176.012 175.510 -0.214 0.000 1.248 341 N CA 0.359 53.091 53.050 -0.530 0.000 0.885 341 N CB 0.934 39.345 38.487 -0.127 0.000 1.062 341 N HN 0.655 nan 8.380 nan 0.000 0.471 342 R N 3.396 123.824 120.500 -0.119 0.000 2.096 342 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 342 R C 1.859 178.017 176.300 -0.237 0.000 1.127 342 R CA 1.207 57.170 56.100 -0.228 0.000 0.968 342 R CB -0.069 30.069 30.300 -0.271 0.000 0.861 342 R HN 0.590 nan 8.270 nan 0.000 0.440 343 I N 0.787 121.382 120.570 0.042 0.000 2.202 343 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 343 I C 2.546 178.794 176.117 0.218 0.000 1.091 343 I CA 1.502 62.958 61.300 0.261 0.000 1.368 343 I CB -0.384 37.800 38.000 0.306 0.000 1.058 343 I HN 0.159 nan 8.210 nan 0.000 0.410 344 A N 0.411 123.350 122.820 0.197 0.000 1.940 344 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 344 A C 2.515 180.182 177.584 0.138 0.000 1.176 344 A CA 1.925 54.125 52.037 0.272 0.000 0.631 344 A CB -1.039 18.159 19.000 0.331 0.000 0.814 344 A HN 0.428 nan 8.150 nan 0.000 0.446 345 A N -1.252 121.592 122.820 0.039 0.000 1.877 345 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 345 A C 2.040 179.761 177.584 0.229 0.000 1.186 345 A CA 1.445 53.505 52.037 0.039 0.000 0.620 345 A CB -0.792 18.192 19.000 -0.027 0.000 0.822 345 A HN 0.735 nan 8.150 nan 0.000 0.443 346 W N 0.142 121.533 121.300 0.151 0.000 2.355 346 W HA -0.115 4.544 4.660 -0.001 0.000 0.309 346 W C 2.388 178.921 176.519 0.023 0.000 1.206 346 W CA 1.346 58.763 57.345 0.119 0.000 1.284 346 W CB -1.149 28.297 29.460 -0.023 0.000 1.145 346 W HN 0.201 nan 8.180 nan 0.000 0.502 347 V N 0.686 120.677 119.914 0.128 0.000 2.255 347 V HA -0.321 3.798 4.120 -0.001 0.000 0.247 347 V C 2.166 178.110 176.094 -0.249 0.000 1.051 347 V CA 1.895 64.052 62.300 -0.239 0.000 1.018 347 V CB -1.059 30.331 31.823 -0.721 0.000 0.641 347 V HN 0.023 nan 8.190 nan 0.000 0.445 348 I N 0.639 121.121 120.570 -0.147 0.000 2.127 348 I HA -0.195 3.974 4.170 -0.001 0.000 0.241 348 I C 2.621 178.739 176.117 0.002 0.000 1.075 348 I CA 1.915 63.207 61.300 -0.013 0.000 1.334 348 I CB -0.996 37.054 38.000 0.083 0.000 1.040 348 I HN 0.406 nan 8.210 nan 0.000 0.405 349 G N 0.021 108.856 108.800 0.059 0.000 2.433 349 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 349 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 349 G C 1.656 176.642 174.900 0.145 0.000 1.186 349 G CA 1.454 46.621 45.100 0.110 0.000 0.779 349 G HN 0.314 nan 8.290 nan 0.000 0.543 350 T N 0.685 115.341 114.554 0.170 0.000 2.708 350 T HA -0.070 4.280 4.350 -0.001 0.000 0.266 350 T C 2.467 177.208 174.700 0.068 0.000 1.037 350 T CA 1.152 63.315 62.100 0.105 0.000 1.146 350 T CB -0.160 68.754 68.868 0.077 0.000 0.865 350 T HN 0.231 nan 8.240 nan 0.000 0.435 351 R N 1.062 121.595 120.500 0.055 0.000 2.091 351 R HA 0.004 4.344 4.340 -0.001 0.000 0.238 351 R C 1.111 177.358 176.300 -0.090 0.000 1.136 351 R CA 0.681 56.850 56.100 0.115 0.000 0.959 351 R CB -0.297 30.092 30.300 0.149 0.000 0.856 351 R HN 0.336 nan 8.270 nan 0.000 0.437 355 K N 1.484 121.632 120.400 -0.419 0.000 2.097 355 K HA 0.033 4.353 4.320 -0.001 0.000 0.205 355 K C 2.033 178.385 176.600 -0.414 0.000 1.050 355 K CA 1.460 57.400 56.287 -0.579 0.000 0.938 355 K CB -0.015 32.010 32.500 -0.793 0.000 0.718 355 K HN 0.210 nan 8.250 nan 0.000 0.442 356 A N 1.277 123.894 122.820 -0.338 0.000 1.898 356 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 356 A C 2.088 179.524 177.584 -0.246 0.000 1.181 356 A CA 1.168 53.020 52.037 -0.308 0.000 0.620 356 A CB -0.580 18.284 19.000 -0.227 0.000 0.819 356 A HN 0.146 nan 8.150 nan 0.000 0.442 357 L N -1.056 120.053 121.223 -0.189 0.000 2.046 357 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 357 L C 2.566 179.350 176.870 -0.144 0.000 1.077 357 L CA 1.236 55.983 54.840 -0.156 0.000 0.747 357 L CB -0.528 41.457 42.059 -0.122 0.000 0.896 357 L HN 0.485 nan 8.230 nan 0.000 0.432 358 L N 0.086 121.229 121.223 -0.133 0.000 2.012 358 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 358 L C 2.694 179.493 176.870 -0.120 0.000 1.073 358 L CA 1.751 56.539 54.840 -0.087 0.000 0.748 358 L CB -0.471 41.610 42.059 0.036 0.000 0.891 358 L HN 0.072 nan 8.230 nan 0.000 0.431 359 R N -0.497 119.866 120.500 -0.229 0.000 2.105 359 R HA -0.117 4.223 4.340 -0.001 0.000 0.239 359 R C 2.263 178.450 176.300 -0.187 0.000 1.135 359 R CA 1.273 57.205 56.100 -0.280 0.000 0.967 359 R CB -0.668 29.307 30.300 -0.542 0.000 0.861 359 R HN 0.560 nan 8.270 nan 0.000 0.442 360 A N 0.908 123.620 122.820 -0.181 0.000 1.930 360 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 360 A C 2.080 179.602 177.584 -0.104 0.000 1.175 360 A CA 1.039 52.990 52.037 -0.143 0.000 0.627 360 A CB -0.391 18.514 19.000 -0.159 0.000 0.815 360 A HN 0.195 nan 8.150 nan 0.000 0.443 361 L N -0.806 120.361 121.223 -0.093 0.000 2.275 361 L HA -0.034 4.306 4.340 -0.001 0.000 0.215 361 L C 1.734 178.560 176.870 -0.074 0.000 1.119 361 L CA 0.532 55.340 54.840 -0.054 0.000 0.790 361 L CB -0.187 41.853 42.059 -0.032 0.000 0.919 361 L HN 0.340 nan 8.230 nan 0.000 0.443 362 L N -0.833 120.322 121.223 -0.113 0.000 2.592 362 L HA 0.075 4.415 4.340 -0.001 0.000 0.227 362 L C 0.997 177.856 176.870 -0.019 0.000 1.127 362 L CA -0.103 54.634 54.840 -0.172 0.000 0.884 362 L CB -0.063 41.779 42.059 -0.361 0.000 1.065 362 L HN 0.174 nan 8.230 nan 0.000 0.457 363 E N 2.732 122.923 120.200 -0.016 0.000 2.354 363 E HA 0.115 4.465 4.350 -0.001 0.000 0.269 363 E C -2.055 174.563 176.600 0.029 0.000 1.036 363 E CA -1.968 54.442 56.400 0.018 0.000 0.876 363 E CB 1.029 30.713 29.700 -0.026 0.000 1.009 363 E HN -0.098 nan 8.360 nan 0.000 0.416 364 P HA 0.072 nan 4.420 nan 0.000 0.231 364 P C 0.077 177.390 177.300 0.023 0.000 1.811 364 P CA -0.138 62.989 63.100 0.044 0.000 1.051 364 P CB 0.461 32.195 31.700 0.057 0.000 1.951 365 T N 0.977 115.536 114.554 0.008 0.000 2.684 365 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 365 T C 1.934 176.639 174.700 0.007 0.000 1.036 365 T CA 2.011 64.108 62.100 -0.004 0.000 1.148 365 T CB -0.330 68.524 68.868 -0.024 0.000 0.863 365 T HN 0.288 nan 8.240 nan 0.000 0.436 366 A N 1.416 124.244 122.820 0.013 0.000 1.883 366 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 366 A C 2.234 179.829 177.584 0.019 0.000 1.186 366 A CA 2.085 54.132 52.037 0.017 0.000 0.624 366 A CB -0.727 18.283 19.000 0.017 0.000 0.822 366 A HN 0.653 nan 8.150 nan 0.000 0.444 367 E N -0.143 120.069 120.200 0.020 0.000 2.058 367 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 367 E C 1.955 178.569 176.600 0.024 0.000 0.997 367 E CA 1.390 57.803 56.400 0.022 0.000 0.801 367 E CB -0.262 29.451 29.700 0.023 0.000 0.746 367 E HN 0.611 nan 8.360 nan 0.000 0.450 368 L N 0.288 121.525 121.223 0.024 0.000 2.083 368 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 368 L C 2.975 179.866 176.870 0.035 0.000 1.083 368 L CA 1.194 56.050 54.840 0.028 0.000 0.752 368 L CB -0.362 41.708 42.059 0.018 0.000 0.899 368 L HN 0.136 nan 8.230 nan 0.000 0.433 369 R N 0.358 120.876 120.500 0.030 0.000 2.096 369 R HA -0.209 4.131 4.340 -0.001 0.000 0.235 369 R C 2.347 178.672 176.300 0.043 0.000 1.127 369 R CA 1.544 57.666 56.100 0.038 0.000 0.968 369 R CB -0.015 30.304 30.300 0.032 0.000 0.861 369 R HN 0.221 nan 8.270 nan 0.000 0.440 370 K N 0.445 120.865 120.400 0.033 0.000 2.025 370 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 370 K C 2.034 178.653 176.600 0.032 0.000 1.049 370 K CA 1.119 57.423 56.287 0.028 0.000 0.933 370 K CB -0.063 32.450 32.500 0.020 0.000 0.714 370 K HN 0.124 nan 8.250 nan 0.000 0.438 371 L N 0.970 122.215 121.223 0.037 0.000 2.046 371 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 371 L C 2.691 179.603 176.870 0.070 0.000 1.077 371 L CA 1.689 56.553 54.840 0.040 0.000 0.747 371 L CB -0.464 41.623 42.059 0.046 0.000 0.896 371 L HN 0.413 nan 8.230 nan 0.000 0.432 372 E N 0.476 120.739 120.200 0.105 0.000 2.051 372 E HA -0.259 4.091 4.350 -0.001 0.000 0.192 372 E C 2.217 178.915 176.600 0.164 0.000 0.991 372 E CA 1.206 57.719 56.400 0.189 0.000 0.799 372 E CB -0.060 29.726 29.700 0.143 0.000 0.748 372 E HN 0.438 nan 8.360 nan 0.000 0.449 373 A N 0.957 123.831 122.820 0.089 0.000 2.024 373 A HA -0.102 4.218 4.320 -0.001 0.000 0.220 373 A C -0.419 177.181 177.584 0.026 0.000 1.164 373 A CA 1.074 53.147 52.037 0.061 0.000 0.643 373 A CB -1.038 17.986 19.000 0.040 0.000 0.806 373 A HN 0.315 nan 8.150 nan 0.000 0.451 374 P HA 0.230 nan 4.420 nan 0.000 0.262 374 P C 0.788 178.011 177.300 -0.129 0.000 1.304 374 P CA 0.998 64.070 63.100 -0.047 0.000 0.859 374 P CB 0.392 32.070 31.700 -0.037 0.000 1.310 375 G N 0.614 109.295 108.800 -0.198 0.000 2.148 375 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.254 375 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.254 375 G C 0.309 174.817 174.900 -0.653 0.000 0.981 375 G CA -0.006 44.719 45.100 -0.624 0.000 0.670 375 G HN 0.321 nan 8.290 nan 0.000 0.528 376 D N 0.191 120.441 120.400 -0.251 0.000 2.688 376 D HA 0.300 4.940 4.640 -0.001 0.000 0.228 376 D C 1.392 177.715 176.300 0.039 0.000 1.116 376 D CA -0.692 53.240 54.000 -0.115 0.000 1.023 376 D CB -0.344 40.432 40.800 -0.039 0.000 1.100 376 D HN 0.338 nan 8.370 nan 0.000 0.487 377 Y N 0.108 120.408 120.300 0.001 0.000 2.333 377 Y HA -0.125 4.424 4.550 -0.001 0.000 0.290 377 Y C 2.457 178.357 175.900 -0.000 0.000 1.144 377 Y CA 0.649 58.749 58.100 0.000 0.000 1.228 377 Y CB -0.956 37.505 38.460 0.000 0.000 0.985 377 Y HN 0.196 nan 8.280 nan 0.000 0.542 378 T N 0.069 114.704 114.554 0.134 0.000 2.674 378 T HA -0.165 4.185 4.350 -0.001 0.000 0.265 378 T C 2.292 177.027 174.700 0.059 0.000 1.039 378 T CA 1.603 63.749 62.100 0.076 0.000 1.150 378 T CB -0.581 68.310 68.868 0.038 0.000 0.864 378 T HN 0.404 nan 8.240 nan 0.000 0.427 379 A N 1.501 124.351 122.820 0.050 0.000 1.930 379 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 379 A C 2.276 179.888 177.584 0.047 0.000 1.175 379 A CA 1.720 53.779 52.037 0.038 0.000 0.627 379 A CB -0.577 18.438 19.000 0.026 0.000 0.815 379 A HN 0.429 nan 8.150 nan 0.000 0.443 380 R N -0.755 119.790 120.500 0.074 0.000 2.080 380 R HA -0.153 4.187 4.340 -0.001 0.000 0.236 380 R C 2.074 178.400 176.300 0.044 0.000 1.137 380 R CA 1.898 58.040 56.100 0.070 0.000 0.943 380 R CB -0.489 29.880 30.300 0.115 0.000 0.846 380 R HN 0.418 nan 8.270 nan 0.000 0.431 381 L N 0.811 122.062 121.223 0.047 0.000 2.046 381 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 381 L C 2.319 179.201 176.870 0.020 0.000 1.077 381 L CA 2.146 57.001 54.840 0.024 0.000 0.747 381 L CB -0.662 41.412 42.059 0.025 0.000 0.896 381 L HN 0.319 nan 8.230 nan 0.000 0.432 382 A N -0.468 122.367 122.820 0.025 0.000 1.865 382 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 382 A C 2.255 179.849 177.584 0.016 0.000 1.191 382 A CA 2.094 54.142 52.037 0.019 0.000 0.623 382 A CB -0.942 18.069 19.000 0.018 0.000 0.826 382 A HN 0.478 nan 8.150 nan 0.000 0.444 383 L N -0.768 120.467 121.223 0.019 0.000 2.093 383 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 383 L C 2.591 179.471 176.870 0.018 0.000 1.085 383 L CA 0.872 55.723 54.840 0.018 0.000 0.755 383 L CB -0.608 41.464 42.059 0.022 0.000 0.904 383 L HN 0.382 nan 8.230 nan 0.000 0.435 384 L N -0.505 120.726 121.223 0.014 0.000 2.042 384 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 384 L C 2.748 179.621 176.870 0.005 0.000 1.076 384 L CA 1.177 56.020 54.840 0.005 0.000 0.749 384 L CB -0.450 41.606 42.059 -0.005 0.000 0.893 384 L HN 0.270 nan 8.230 nan 0.000 0.432 385 E N -0.195 120.009 120.200 0.007 0.000 2.107 385 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 385 E C 2.102 178.712 176.600 0.017 0.000 0.982 385 E CA 0.773 57.178 56.400 0.009 0.000 0.809 385 E CB -0.079 29.625 29.700 0.008 0.000 0.756 385 E HN 0.433 nan 8.360 nan 0.000 0.459 386 E N 0.800 121.010 120.200 0.017 0.000 2.268 386 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 386 E C 1.923 178.542 176.600 0.031 0.000 0.995 386 E CA 0.479 56.889 56.400 0.018 0.000 0.836 386 E CB -0.010 29.694 29.700 0.007 0.000 0.763 386 E HN 0.277 nan 8.360 nan 0.000 0.491 387 Q N 0.711 120.535 119.800 0.040 0.000 2.181 387 Q HA -0.122 4.218 4.340 -0.001 0.000 0.205 387 Q C 1.859 177.923 176.000 0.106 0.000 0.980 387 Q CA 0.991 56.838 55.803 0.075 0.000 0.862 387 Q CB -0.335 28.444 28.738 0.068 0.000 0.905 387 Q HN 0.332 nan 8.270 nan 0.000 0.429 388 K N 0.804 121.249 120.400 0.074 0.000 2.280 388 K HA -0.061 4.259 4.320 -0.001 0.000 0.202 388 K C 1.718 178.424 176.600 0.176 0.000 1.047 388 K CA 1.325 57.674 56.287 0.103 0.000 0.942 388 K CB 0.020 32.553 32.500 0.056 0.000 0.739 388 K HN 0.191 nan 8.250 nan 0.000 0.457 389 S N -0.045 115.726 115.700 0.119 0.000 2.568 389 S HA 0.217 4.687 4.470 -0.001 0.000 0.232 389 S C 0.465 175.102 174.600 0.061 0.000 0.975 389 S CA -0.589 57.669 58.200 0.095 0.000 0.949 389 S CB -0.059 63.170 63.200 0.047 0.000 0.829 389 S HN 0.028 nan 8.310 nan 0.000 0.479 390 L N 2.477 123.751 121.223 0.084 0.000 2.439 390 L HA 0.372 4.712 4.340 -0.001 0.000 0.261 390 L C -1.955 174.973 176.870 0.097 0.000 1.153 390 L CA -2.244 52.560 54.840 -0.061 0.000 0.808 390 L CB 0.510 42.450 42.059 -0.198 0.000 1.126 390 L HN -0.000 nan 8.230 nan 0.000 0.460 391 P HA -0.029 nan 4.420 nan 0.000 0.225 391 P C 0.659 178.147 177.300 0.313 0.000 1.768 391 P CA -0.191 62.944 63.100 0.058 0.000 0.943 391 P CB -0.397 31.296 31.700 -0.012 0.000 1.936 392 W N 0.999 122.543 121.300 0.406 0.000 2.392 392 W HA -0.125 4.535 4.660 -0.000 0.000 0.279 392 W C 0.754 177.444 176.519 0.286 0.000 1.225 392 W CA 0.340 57.904 57.345 0.366 0.000 1.233 392 W CB -1.473 28.125 29.460 0.230 0.000 1.122 392 W HN 0.101 nan 8.180 nan 0.000 0.561 393 Q N 1.581 120.899 119.800 -0.804 0.000 2.135 393 Q HA -0.120 4.220 4.340 -0.001 0.000 0.204 393 Q C 2.784 178.756 176.000 -0.047 0.000 0.981 393 Q CA 3.013 58.355 55.803 -0.768 0.000 0.856 393 Q CB -0.719 27.562 28.738 -0.762 0.000 0.902 393 Q HN 0.357 nan 8.270 nan 0.000 0.425 394 A N -0.221 122.631 122.820 0.052 0.000 1.969 394 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 394 A C 2.219 180.038 177.584 0.391 0.000 1.169 394 A CA 1.315 53.475 52.037 0.205 0.000 0.635 394 A CB -0.444 18.670 19.000 0.191 0.000 0.810 394 A HN 0.234 nan 8.150 nan 0.000 0.445 395 V N -1.274 118.894 119.914 0.423 0.000 2.379 395 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 395 V C 2.220 178.605 176.094 0.484 0.000 1.044 395 V CA 1.438 64.073 62.300 0.558 0.000 1.036 395 V CB -1.007 31.028 31.823 0.353 0.000 0.664 395 V HN 0.878 nan 8.190 nan 0.000 0.453 396 W N 1.720 123.188 121.300 0.280 0.000 2.355 396 W HA -0.087 4.573 4.660 -0.001 0.000 0.309 396 W C 1.186 177.846 176.519 0.236 0.000 1.206 396 W CA 1.127 58.634 57.345 0.270 0.000 1.284 396 W CB 0.002 29.643 29.460 0.301 0.000 1.145 396 W HN 0.309 nan 8.180 nan 0.000 0.502 400 C N 1.753 120.825 119.300 -0.380 0.000 2.436 400 C HA -0.180 4.280 4.460 -0.001 0.000 0.277 400 C C 2.608 177.439 174.990 -0.266 0.000 1.241 400 C CA 2.124 60.891 59.018 -0.418 0.000 1.721 400 C CB -1.096 26.370 27.740 -0.457 0.000 2.043 400 C HN 0.747 nan 8.230 nan 0.000 0.472 401 Q N 0.737 120.396 119.800 -0.235 0.000 2.077 401 Q HA -0.230 4.109 4.340 -0.001 0.000 0.206 401 Q C 2.332 178.194 176.000 -0.229 0.000 0.989 401 Q CA 1.712 57.396 55.803 -0.199 0.000 0.853 401 Q CB -0.240 28.383 28.738 -0.190 0.000 0.907 401 Q HN 0.613 nan 8.270 nan 0.000 0.418 402 R N -0.849 119.474 120.500 -0.295 0.000 2.193 402 R HA -0.099 4.241 4.340 -0.001 0.000 0.229 402 R C 1.307 177.343 176.300 -0.440 0.000 1.110 402 R CA 1.032 56.913 56.100 -0.364 0.000 0.988 402 R CB -0.095 29.961 30.300 -0.407 0.000 0.871 402 R HN 0.469 nan 8.270 nan 0.000 0.458 403 H N -0.261 118.585 119.070 -0.373 0.000 2.542 403 H HA 0.028 4.583 4.556 -0.001 0.000 0.283 403 H C -0.242 174.947 175.328 -0.231 0.000 1.059 403 H CA -0.155 55.693 56.048 -0.333 0.000 1.162 403 H CB 0.353 29.840 29.762 -0.458 0.000 1.539 403 H HN 0.078 nan 8.280 nan 0.000 0.543 404 D N 1.693 122.023 120.400 -0.117 0.000 2.697 404 D HA -0.146 4.494 4.640 -0.001 0.000 0.238 404 D C -0.684 175.575 176.300 -0.068 0.000 1.152 404 D CA 0.830 54.776 54.000 -0.090 0.000 0.666 404 D CB -0.954 39.799 40.800 -0.078 0.000 1.037 404 D HN 0.276 nan 8.370 nan 0.000 0.423 405 T N 0.819 115.323 114.554 -0.083 0.000 2.907 405 T HA 0.591 4.941 4.350 -0.001 0.000 0.292 405 T C -2.525 172.153 174.700 -0.036 0.000 1.043 405 T CA -1.235 60.827 62.100 -0.063 0.000 1.003 405 T CB 2.315 71.111 68.868 -0.120 0.000 1.084 405 T HN -0.127 nan 8.240 nan 0.000 0.483 406 P HA 0.277 nan 4.420 nan 0.000 0.271 406 P C 0.041 177.395 177.300 0.089 0.000 1.216 406 P CA -0.190 62.966 63.100 0.094 0.000 0.771 406 P CB 0.490 32.318 31.700 0.215 0.000 0.864 407 A N 2.882 125.736 122.820 0.056 0.000 2.016 407 A HA 0.290 4.609 4.320 -0.001 0.000 0.217 407 A C 1.216 178.926 177.584 0.211 0.000 1.162 407 A CA 1.766 53.827 52.037 0.040 0.000 0.662 407 A CB -0.698 18.302 19.000 0.000 0.000 0.812 407 A HN 0.619 nan 8.150 nan 0.000 0.450 408 G N -1.774 107.162 108.800 0.227 0.000 3.183 408 G HA2 0.367 4.327 3.960 -0.001 0.000 0.247 408 G HA3 0.367 4.327 3.960 -0.001 0.000 0.247 408 G C 0.907 175.950 174.900 0.238 0.000 1.211 408 G CA 0.686 45.938 45.100 0.254 0.000 0.835 408 G HN 0.517 nan 8.290 nan 0.000 0.604 409 S N -0.268 115.468 115.700 0.061 0.000 2.500 409 S HA -0.089 4.380 4.470 -0.001 0.000 0.239 409 S C 1.596 176.022 174.600 -0.290 0.000 0.989 409 S CA 1.916 60.002 58.200 -0.189 0.000 0.951 409 S CB -0.281 62.824 63.200 -0.158 0.000 0.759 409 S HN 0.524 nan 8.310 nan 0.000 0.523 410 E N 2.179 122.331 120.200 -0.079 0.000 2.267 410 E HA -0.135 4.215 4.350 -0.001 0.000 0.197 410 E C 1.763 178.355 176.600 -0.013 0.000 0.998 410 E CA 1.225 57.599 56.400 -0.042 0.000 0.830 410 E CB -1.034 28.683 29.700 0.028 0.000 0.751 410 E HN 0.967 nan 8.360 nan 0.000 0.491 411 W N 0.877 122.212 121.300 0.059 0.000 2.364 411 W HA -0.109 4.551 4.660 -0.000 0.000 0.281 411 W C 1.403 177.962 176.519 0.067 0.000 1.219 411 W CA 0.384 57.766 57.345 0.062 0.000 1.220 411 W CB -0.884 28.621 29.460 0.075 0.000 1.127 411 W HN 0.156 nan 8.180 nan 0.000 0.556 412 L N 2.128 122.982 121.223 -0.615 0.000 2.191 412 L HA -0.162 4.178 4.340 -0.001 0.000 0.212 412 L C 2.511 179.319 176.870 -0.104 0.000 1.103 412 L CA 2.033 56.552 54.840 -0.535 0.000 0.769 412 L CB -0.667 40.906 42.059 -0.809 0.000 0.908 412 L HN -0.239 nan 8.230 nan 0.000 0.438 413 E N -0.374 119.784 120.200 -0.069 0.000 2.110 413 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 413 E C 2.285 178.936 176.600 0.084 0.000 0.988 413 E CA 1.430 57.836 56.400 0.010 0.000 0.804 413 E CB -0.472 29.231 29.700 0.004 0.000 0.745 413 E HN 0.526 nan 8.360 nan 0.000 0.458 414 S N 0.406 116.186 115.700 0.133 0.000 2.368 414 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 414 S C 2.247 176.975 174.600 0.213 0.000 1.029 414 S CA 0.912 59.212 58.200 0.167 0.000 0.988 414 S CB -0.169 63.136 63.200 0.175 0.000 0.838 414 S HN 0.053 nan 8.310 nan 0.000 0.462 415 V N 1.986 122.053 119.914 0.255 0.000 2.343 415 V HA -0.180 3.940 4.120 -0.001 0.000 0.247 415 V C 2.455 178.705 176.094 0.260 0.000 1.051 415 V CA 1.674 64.153 62.300 0.297 0.000 1.036 415 V CB -0.600 31.436 31.823 0.355 0.000 0.654 415 V HN 0.356 nan 8.190 nan 0.000 0.451 416 R N 0.049 120.653 120.500 0.173 0.000 2.073 416 R HA -0.126 4.214 4.340 -0.001 0.000 0.234 416 R C 2.461 178.843 176.300 0.138 0.000 1.134 416 R CA 1.539 57.718 56.100 0.132 0.000 0.952 416 R CB -0.651 29.693 30.300 0.074 0.000 0.850 416 R HN 0.533 nan 8.270 nan 0.000 0.433 417 A N 0.239 123.145 122.820 0.142 0.000 1.908 417 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 417 A C 1.999 179.690 177.584 0.179 0.000 1.181 417 A CA 1.323 53.442 52.037 0.136 0.000 0.627 417 A CB -0.749 18.325 19.000 0.124 0.000 0.818 417 A HN 0.462 nan 8.150 nan 0.000 0.445 418 Y N 0.322 120.680 120.300 0.096 0.000 2.224 418 Y HA -0.160 4.389 4.550 -0.001 0.000 0.289 418 Y C 2.324 178.285 175.900 0.102 0.000 1.146 418 Y CA 2.068 60.230 58.100 0.103 0.000 1.182 418 Y CB -0.245 38.292 38.460 0.128 0.000 0.983 418 Y HN 0.506 nan 8.280 nan 0.000 0.524 419 E N -0.100 120.194 120.200 0.158 0.000 2.077 419 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 419 E C 2.131 178.729 176.600 -0.002 0.000 0.989 419 E CA 1.242 57.685 56.400 0.072 0.000 0.800 419 E CB 0.024 29.820 29.700 0.161 0.000 0.746 419 E HN 0.417 nan 8.360 nan 0.000 0.452 420 K N 0.364 120.780 120.400 0.027 0.000 2.026 420 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 420 K C 2.239 178.828 176.600 -0.019 0.000 1.048 420 K CA 1.506 57.799 56.287 0.010 0.000 0.929 420 K CB -0.162 32.356 32.500 0.029 0.000 0.713 420 K HN 0.281 nan 8.250 nan 0.000 0.439 421 E N 0.304 120.485 120.200 -0.031 0.000 2.086 421 E HA -0.116 4.234 4.350 -0.001 0.000 0.190 421 E C 1.734 178.270 176.600 -0.106 0.000 0.975 421 E CA 0.758 57.131 56.400 -0.045 0.000 0.813 421 E CB 0.332 30.031 29.700 -0.001 0.000 0.768 421 E HN 0.063 nan 8.360 nan 0.000 0.457 422 I N 0.670 121.098 120.570 -0.237 0.000 3.196 422 I HA -0.029 4.141 4.170 -0.001 0.000 0.248 422 I C 2.601 178.576 176.117 -0.237 0.000 1.105 422 I CA 0.307 61.422 61.300 -0.309 0.000 1.482 422 I CB -1.220 36.379 38.000 -0.668 0.000 1.400 422 I HN 0.150 nan 8.210 nan 0.000 0.464 423 L N 1.441 122.501 121.223 -0.270 0.000 2.083 423 L HA -0.181 4.159 4.340 -0.001 0.000 0.209 423 L C 2.672 179.506 176.870 -0.059 0.000 1.083 423 L CA 1.709 56.481 54.840 -0.113 0.000 0.752 423 L CB -0.743 41.302 42.059 -0.023 0.000 0.899 423 L HN 0.331 nan 8.230 nan 0.000 0.433 424 S N -0.141 115.522 115.700 -0.061 0.000 2.465 424 S HA -0.191 4.279 4.470 -0.001 0.000 0.241 424 S C 1.843 176.417 174.600 -0.042 0.000 1.000 424 S CA 0.905 59.077 58.200 -0.047 0.000 0.964 424 S CB -0.384 62.793 63.200 -0.038 0.000 0.763 424 S HN 0.461 nan 8.310 nan 0.000 0.512 425 R N 0.504 120.976 120.500 -0.047 0.000 2.334 425 R HA 0.299 4.639 4.340 -0.001 0.000 0.216 425 R C 0.658 176.944 176.300 -0.024 0.000 0.905 425 R CA -0.168 55.912 56.100 -0.034 0.000 1.064 425 R CB 0.281 30.560 30.300 -0.035 0.000 1.046 425 R HN 0.411 nan 8.270 nan 0.000 0.508 426 R N 0.000 120.488 120.500 -0.021 0.000 2.786 426 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 426 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 426 R CB 0.000 30.309 30.300 0.015 0.000 0.687 426 R HN 0.000 nan 8.270 nan 0.000 0.535