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 3abs_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKLKTTLFGN VYQFKDVKEV LAKANELRSG DVLAGVAAAS SQERVAAKQV DATA SEQUENCE LSEMTVADIR NNPVIAYEDD CVTRLIQDDV NETAYNQIKN WSISELREYV DATA SEQUENCE LSDETSVDDI AFTRKGLTSE VVAAVAKICS NADLIYGAKK MPVIKKANTT DATA SEQUENCE IGIPGTFSAR LQPNDTRDDV QSIAAQIYEG LSFGVGDAVI GVNPVTDDVE DATA SEQUENCE NLSRVLDTIY GVIDKFNIPT QGCVLAHVTT QIEAIRRGAP GGLIFQSICG DATA SEQUENCE SEKGLKEFGV ELAMLDEARA VGAEFNRIAG ENCLYFETGQ GSALSAGANF DATA SEQUENCE GADQVTMEAR NYGLARHYDP FIVNTVVGFI GPEYLYNDRQ IIRAGLEDHF DATA SEQUENCE MGKLSGISMG CDCCYTNHAD ADQNLNENLM ILLATAGCNY IMGMPLGDDI DATA SEQUENCE MLNYQTTAFH DTATVRQLLN LRPSPEFERW LESMGIMANG RLTKRAGDPS DATA SEQUENCE LFF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 K N 3.626 124.051 120.400 0.042 0.000 2.265 2 K HA 0.548 4.868 4.320 -0.000 0.000 0.267 2 K C -0.254 176.393 176.600 0.078 0.000 0.994 2 K CA -0.314 56.007 56.287 0.056 0.000 0.860 2 K CB 1.487 34.018 32.500 0.051 0.000 1.099 2 K HN 0.665 nan 8.250 nan 0.000 0.448 3 L N 2.081 123.369 121.223 0.108 0.000 2.965 3 L HA 0.249 4.589 4.340 -0.000 0.000 0.254 3 L C 0.357 177.395 176.870 0.279 0.000 1.220 3 L CA -0.086 54.860 54.840 0.177 0.000 1.023 3 L CB 0.223 42.379 42.059 0.162 0.000 1.355 3 L HN 0.384 nan 8.230 nan 0.000 0.545 4 K N 0.100 120.624 120.400 0.206 0.000 2.498 4 K HA 0.587 4.907 4.320 -0.000 0.000 0.254 4 K C -1.353 175.349 176.600 0.170 0.000 0.933 4 K CA -0.242 56.158 56.287 0.188 0.000 0.806 4 K CB 3.044 35.602 32.500 0.097 0.000 1.301 4 K HN -0.159 nan 8.250 nan 0.000 0.432 5 T N 0.617 115.287 114.554 0.193 0.000 2.843 5 T HA 0.459 4.809 4.350 -0.000 0.000 0.302 5 T C -1.480 173.311 174.700 0.152 0.000 1.232 5 T CA -0.324 61.862 62.100 0.143 0.000 1.009 5 T CB 1.700 70.646 68.868 0.129 0.000 1.254 5 T HN 0.527 nan 8.240 nan 0.000 0.504 6 T N 3.296 117.909 114.554 0.099 0.000 2.770 6 T HA 0.621 4.971 4.350 -0.000 0.000 0.283 6 T C -0.911 173.832 174.700 0.072 0.000 0.988 6 T CA -0.573 61.584 62.100 0.095 0.000 0.957 6 T CB 0.619 69.513 68.868 0.044 0.000 0.930 6 T HN 0.431 nan 8.240 nan 0.000 0.443 7 L N 4.604 125.913 121.223 0.143 0.000 2.372 7 L HA 0.439 4.779 4.340 -0.000 0.000 0.274 7 L C -0.520 176.402 176.870 0.086 0.000 0.988 7 L CA -0.889 53.944 54.840 -0.011 0.000 0.833 7 L CB 0.598 42.656 42.059 -0.003 0.000 1.236 7 L HN 0.916 nan 8.230 nan 0.000 0.410 8 F N 3.780 123.786 119.950 0.094 0.000 3.084 8 F HA -0.285 4.242 4.527 -0.000 0.000 0.286 8 F C 1.405 177.236 175.800 0.052 0.000 0.855 8 F CA 0.846 58.887 58.000 0.068 0.000 1.091 8 F CB -1.585 37.458 39.000 0.071 0.000 1.177 8 F HN 0.823 nan 8.300 nan 0.000 0.542 9 G N -0.334 108.559 108.800 0.154 0.000 2.194 9 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.236 9 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.236 9 G C -0.097 174.837 174.900 0.057 0.000 0.987 9 G CA 0.051 45.206 45.100 0.092 0.000 0.635 9 G HN 0.555 nan 8.290 nan 0.000 0.520 10 N N 0.285 119.033 118.700 0.079 0.000 2.425 10 N HA 0.487 5.227 4.740 -0.000 0.000 0.268 10 N C -0.090 175.353 175.510 -0.112 0.000 0.991 10 N CA -0.642 52.377 53.050 -0.050 0.000 0.931 10 N CB 2.267 40.703 38.487 -0.086 0.000 1.130 10 N HN 0.053 nan 8.380 nan 0.000 0.493 11 V N 3.398 123.207 119.914 -0.175 0.000 2.508 11 V HA 0.051 4.171 4.120 -0.000 0.000 0.281 11 V C -0.580 175.324 176.094 -0.318 0.000 1.041 11 V CA 0.117 62.336 62.300 -0.135 0.000 1.016 11 V CB -0.496 31.271 31.823 -0.093 0.000 0.984 11 V HN 0.552 nan 8.190 nan 0.000 0.478 12 Y N 3.517 123.765 120.300 -0.085 0.000 2.334 12 Y HA 0.539 5.089 4.550 -0.000 0.000 0.336 12 Y C 0.239 175.924 175.900 -0.358 0.000 0.960 12 Y CA -0.484 57.476 58.100 -0.232 0.000 1.164 12 Y CB 1.658 40.010 38.460 -0.179 0.000 1.155 12 Y HN 0.569 nan 8.280 nan 0.000 0.478 13 Q N 3.286 122.879 119.800 -0.346 0.000 2.293 13 Q HA 0.561 4.901 4.340 -0.000 0.000 0.261 13 Q C -1.942 173.770 176.000 -0.480 0.000 0.960 13 Q CA -0.434 55.205 55.803 -0.273 0.000 0.882 13 Q CB 0.764 29.422 28.738 -0.134 0.000 1.275 13 Q HN 0.534 nan 8.270 nan 0.000 0.445 14 F N 2.057 122.046 119.950 0.064 0.000 2.508 14 F HA 0.412 4.939 4.527 -0.000 0.000 0.325 14 F C 1.166 176.989 175.800 0.039 0.000 1.090 14 F CA -0.892 57.140 58.000 0.053 0.000 0.945 14 F CB 1.694 40.724 39.000 0.050 0.000 1.156 14 F HN 0.599 nan 8.300 nan 0.000 0.463 15 K N 0.419 120.947 120.400 0.213 0.000 2.007 15 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 15 K C -0.479 176.189 176.600 0.113 0.000 1.047 15 K CA 1.757 58.119 56.287 0.124 0.000 0.937 15 K CB 0.111 32.668 32.500 0.095 0.000 0.718 15 K HN 0.866 nan 8.250 nan 0.000 0.438 16 D N -3.022 117.449 120.400 0.118 0.000 2.752 16 D HA 0.068 4.708 4.640 -0.000 0.000 0.313 16 D C 0.725 177.057 176.300 0.054 0.000 1.225 16 D CA -0.683 53.362 54.000 0.076 0.000 0.976 16 D CB 0.934 41.767 40.800 0.055 0.000 1.443 16 D HN -0.207 nan 8.370 nan 0.000 0.515 17 V N -0.057 119.873 119.914 0.027 0.000 2.332 17 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 17 V C 2.426 178.516 176.094 -0.006 0.000 1.055 17 V CA 2.199 64.500 62.300 0.001 0.000 1.038 17 V CB -0.763 31.062 31.823 0.004 0.000 0.651 17 V HN 0.653 nan 8.190 nan 0.000 0.450 18 K N -0.168 120.239 120.400 0.013 0.000 2.103 18 K HA -0.272 4.048 4.320 -0.000 0.000 0.207 18 K C 2.268 178.880 176.600 0.019 0.000 1.048 18 K CA 2.053 58.351 56.287 0.017 0.000 0.930 18 K CB -0.106 32.413 32.500 0.032 0.000 0.716 18 K HN 0.610 nan 8.250 nan 0.000 0.444 19 E N -0.083 120.140 120.200 0.038 0.000 2.107 19 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 19 E C 1.857 178.441 176.600 -0.027 0.000 0.982 19 E CA 0.768 57.206 56.400 0.063 0.000 0.809 19 E CB 0.251 30.045 29.700 0.157 0.000 0.756 19 E HN 0.103 nan 8.360 nan 0.000 0.459 20 V N 1.502 121.336 119.914 -0.132 0.000 2.343 20 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 20 V C 2.471 178.438 176.094 -0.211 0.000 1.051 20 V CA 1.434 63.523 62.300 -0.352 0.000 1.036 20 V CB -0.457 31.176 31.823 -0.317 0.000 0.654 20 V HN 0.324 nan 8.190 nan 0.000 0.451 21 L N -0.002 121.159 121.223 -0.104 0.000 2.046 21 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 21 L C 2.713 179.560 176.870 -0.039 0.000 1.077 21 L CA 1.710 56.516 54.840 -0.057 0.000 0.747 21 L CB -0.758 41.287 42.059 -0.025 0.000 0.896 21 L HN 0.366 nan 8.230 nan 0.000 0.432 22 A N -0.064 122.742 122.820 -0.024 0.000 1.873 22 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 22 A C 2.280 179.865 177.584 0.003 0.000 1.186 22 A CA 1.515 53.554 52.037 0.003 0.000 0.616 22 A CB -0.284 18.732 19.000 0.026 0.000 0.823 22 A HN 0.313 nan 8.150 nan 0.000 0.442 23 K N -0.312 120.082 120.400 -0.011 0.000 2.296 23 K HA 0.154 4.474 4.320 -0.000 0.000 0.200 23 K C 1.952 178.534 176.600 -0.030 0.000 1.048 23 K CA 0.670 56.964 56.287 0.011 0.000 0.966 23 K CB -0.135 32.418 32.500 0.088 0.000 0.754 23 K HN 0.418 nan 8.250 nan 0.000 0.466 24 A N 1.532 124.305 122.820 -0.078 0.000 2.119 24 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 24 A C 0.621 178.186 177.584 -0.032 0.000 1.153 24 A CA 0.438 52.430 52.037 -0.074 0.000 0.692 24 A CB -0.269 18.672 19.000 -0.098 0.000 0.799 24 A HN 0.190 nan 8.150 nan 0.000 0.458 25 N N 1.836 120.528 118.700 -0.013 0.000 2.441 25 N HA 0.057 4.797 4.740 -0.000 0.000 0.251 25 N C -0.024 175.492 175.510 0.010 0.000 1.242 25 N CA 0.195 53.249 53.050 0.006 0.000 0.898 25 N CB 0.297 38.796 38.487 0.020 0.000 1.100 25 N HN 0.316 nan 8.380 nan 0.000 0.443 26 E N 0.955 121.163 120.200 0.014 0.000 2.415 26 E HA -0.049 4.301 4.350 -0.000 0.000 0.262 26 E C 0.286 176.903 176.600 0.027 0.000 1.038 26 E CA -0.251 56.160 56.400 0.018 0.000 0.921 26 E CB 0.676 30.389 29.700 0.021 0.000 0.950 26 E HN 0.381 nan 8.360 nan 0.000 0.438 27 L N 3.991 125.229 121.223 0.025 0.000 2.601 27 L HA -0.057 4.283 4.340 -0.000 0.000 0.277 27 L C 0.531 177.424 176.870 0.038 0.000 1.219 27 L CA 1.070 55.926 54.840 0.027 0.000 0.915 27 L CB -0.234 41.835 42.059 0.016 0.000 1.160 27 L HN 0.594 nan 8.230 nan 0.000 0.494 28 R N 1.920 122.447 120.500 0.046 0.000 2.739 28 R HA 0.262 4.602 4.340 -0.000 0.000 0.271 28 R C 0.114 176.454 176.300 0.067 0.000 1.010 28 R CA -0.405 55.736 56.100 0.067 0.000 0.897 28 R CB 1.080 31.431 30.300 0.086 0.000 1.236 28 R HN 0.462 nan 8.270 nan 0.000 0.466 29 S N 0.841 116.594 115.700 0.088 0.000 2.368 29 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 29 S C 1.789 176.446 174.600 0.096 0.000 1.030 29 S CA 1.856 60.100 58.200 0.073 0.000 0.999 29 S CB -0.691 62.579 63.200 0.117 0.000 0.844 29 S HN 0.756 nan 8.310 nan 0.000 0.459 30 G N 0.874 109.771 108.800 0.162 0.000 2.422 30 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 30 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 30 G C 1.179 176.172 174.900 0.154 0.000 1.146 30 G CA 1.090 46.336 45.100 0.243 0.000 0.769 30 G HN 0.510 nan 8.290 nan 0.000 0.547 31 D N 0.113 120.576 120.400 0.105 0.000 2.178 31 D HA -0.060 4.580 4.640 -0.000 0.000 0.202 31 D C 2.746 179.082 176.300 0.061 0.000 0.974 31 D CA 0.473 54.517 54.000 0.073 0.000 0.841 31 D CB -0.207 40.628 40.800 0.059 0.000 0.953 31 D HN 0.223 nan 8.370 nan 0.000 0.478 32 V N 1.073 121.019 119.914 0.053 0.000 2.307 32 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 32 V C 2.455 178.573 176.094 0.039 0.000 1.045 32 V CA 0.982 63.303 62.300 0.036 0.000 1.024 32 V CB -0.450 31.381 31.823 0.014 0.000 0.651 32 V HN 0.144 nan 8.190 nan 0.000 0.449 33 L N 1.211 122.465 121.223 0.053 0.000 2.079 33 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 33 L C 2.298 179.207 176.870 0.065 0.000 1.081 33 L CA 2.408 57.283 54.840 0.058 0.000 0.752 33 L CB -0.787 41.319 42.059 0.077 0.000 0.896 33 L HN 0.212 nan 8.230 nan 0.000 0.433 34 A N -0.860 122.006 122.820 0.075 0.000 2.119 34 A HA 0.277 4.597 4.320 -0.000 0.000 0.217 34 A C 1.828 179.438 177.584 0.043 0.000 1.153 34 A CA 0.786 52.858 52.037 0.059 0.000 0.692 34 A CB -1.040 17.994 19.000 0.058 0.000 0.799 34 A HN 0.960 nan 8.150 nan 0.000 0.458 35 G N -1.350 107.476 108.800 0.043 0.000 2.160 35 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.251 35 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.251 35 G C 0.840 175.767 174.900 0.046 0.000 1.008 35 G CA 0.990 46.114 45.100 0.039 0.000 0.724 35 G HN 1.647 nan 8.290 nan 0.000 0.514 36 V N -3.577 116.367 119.914 0.050 0.000 3.528 36 V HA 0.790 4.910 4.120 -0.000 0.000 0.294 36 V C 1.386 177.516 176.094 0.061 0.000 1.404 36 V CA 0.847 63.180 62.300 0.056 0.000 1.065 36 V CB 0.003 31.856 31.823 0.050 0.000 0.904 36 V HN 1.542 nan 8.190 nan 0.000 0.435 37 A N 1.158 124.012 122.820 0.056 0.000 2.346 37 A HA 0.793 5.112 4.320 -0.000 0.000 0.252 37 A C 0.805 178.430 177.584 0.068 0.000 1.089 37 A CA 0.297 52.367 52.037 0.054 0.000 0.797 37 A CB 0.165 19.191 19.000 0.044 0.000 1.047 37 A HN 1.281 nan 8.150 nan 0.000 0.494 38 A N -0.377 122.483 122.820 0.068 0.000 2.386 38 A HA 0.515 4.835 4.320 -0.000 0.000 0.248 38 A C 1.323 178.950 177.584 0.072 0.000 1.082 38 A CA 0.288 52.377 52.037 0.087 0.000 0.789 38 A CB -0.073 18.971 19.000 0.074 0.000 1.025 38 A HN 1.910 nan 8.150 nan 0.000 0.490 39 A N 1.184 124.055 122.820 0.085 0.000 2.021 39 A HA 0.366 4.686 4.320 -0.000 0.000 0.216 39 A C 1.258 178.881 177.584 0.065 0.000 1.163 39 A CA 1.496 53.575 52.037 0.070 0.000 0.676 39 A CB -0.472 18.574 19.000 0.077 0.000 0.818 39 A HN 1.773 nan 8.150 nan 0.000 0.453 40 S N -3.197 112.548 115.700 0.075 0.000 2.651 40 S HA 0.489 4.959 4.470 -0.000 0.000 0.279 40 S C 0.500 175.126 174.600 0.043 0.000 1.148 40 S CA 0.208 58.446 58.200 0.065 0.000 0.837 40 S CB 1.261 64.519 63.200 0.098 0.000 1.138 40 S HN 0.042 nan 8.310 nan 0.000 0.478 41 S N 0.534 116.257 115.700 0.038 0.000 2.402 41 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 41 S C 1.725 176.334 174.600 0.015 0.000 1.021 41 S CA 1.432 59.648 58.200 0.027 0.000 0.974 41 S CB -0.487 62.732 63.200 0.032 0.000 0.800 41 S HN 0.713 nan 8.310 nan 0.000 0.484 42 Q N 1.126 120.944 119.800 0.029 0.000 2.119 42 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 42 Q C 2.110 177.935 176.000 -0.291 0.000 0.972 42 Q CA 1.086 56.881 55.803 -0.013 0.000 0.847 42 Q CB -0.122 28.705 28.738 0.148 0.000 0.903 42 Q HN 0.580 nan 8.270 nan 0.000 0.433 43 E N 0.282 120.328 120.200 -0.257 0.000 2.152 43 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 43 E C 1.967 178.526 176.600 -0.068 0.000 0.983 43 E CA 0.448 56.662 56.400 -0.311 0.000 0.818 43 E CB 0.104 29.817 29.700 0.022 0.000 0.758 43 E HN 0.197 nan 8.360 nan 0.000 0.467 44 R N 0.171 120.651 120.500 -0.034 0.000 2.073 44 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 44 R C 2.187 178.457 176.300 -0.051 0.000 1.134 44 R CA 1.587 57.677 56.100 -0.018 0.000 0.952 44 R CB -0.174 30.123 30.300 -0.004 0.000 0.850 44 R HN 0.064 nan 8.270 nan 0.000 0.433 45 V N 1.118 120.991 119.914 -0.067 0.000 2.427 45 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 45 V C 2.499 178.537 176.094 -0.094 0.000 1.051 45 V CA 1.755 64.013 62.300 -0.070 0.000 1.048 45 V CB -0.678 31.115 31.823 -0.051 0.000 0.666 45 V HN 0.568 nan 8.190 nan 0.000 0.456 46 A N 0.280 123.012 122.820 -0.147 0.000 1.883 46 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 46 A C 2.443 180.033 177.584 0.011 0.000 1.186 46 A CA 2.262 54.250 52.037 -0.081 0.000 0.624 46 A CB -0.858 17.976 19.000 -0.276 0.000 0.822 46 A HN 0.573 nan 8.150 nan 0.000 0.444 47 A N -0.465 122.318 122.820 -0.061 0.000 1.933 47 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 47 A C 2.115 179.550 177.584 -0.247 0.000 1.175 47 A CA 1.818 53.608 52.037 -0.412 0.000 0.628 47 A CB -0.424 18.327 19.000 -0.415 0.000 0.814 47 A HN 0.553 nan 8.150 nan 0.000 0.444 48 K N -0.845 119.474 120.400 -0.134 0.000 2.057 48 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 48 K C 2.411 178.966 176.600 -0.075 0.000 1.049 48 K CA 1.616 57.848 56.287 -0.091 0.000 0.931 48 K CB -0.157 32.306 32.500 -0.062 0.000 0.714 48 K HN 0.656 nan 8.250 nan 0.000 0.440 49 Q N 0.733 120.494 119.800 -0.065 0.000 2.079 49 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 49 Q C 2.089 178.068 176.000 -0.034 0.000 0.974 49 Q CA 1.142 56.919 55.803 -0.043 0.000 0.840 49 Q CB 0.172 28.889 28.738 -0.035 0.000 0.898 49 Q HN 0.097 nan 8.270 nan 0.000 0.430 50 V N 1.290 121.177 119.914 -0.045 0.000 2.287 50 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 50 V C 2.367 178.421 176.094 -0.065 0.000 1.053 50 V CA 1.634 63.909 62.300 -0.042 0.000 1.027 50 V CB -0.619 31.163 31.823 -0.068 0.000 0.646 50 V HN 0.395 nan 8.190 nan 0.000 0.447 51 L N 1.069 122.227 121.223 -0.107 0.000 2.042 51 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 51 L C 2.735 179.588 176.870 -0.028 0.000 1.076 51 L CA 2.582 57.377 54.840 -0.075 0.000 0.749 51 L CB -0.787 41.220 42.059 -0.088 0.000 0.893 51 L HN 0.534 nan 8.230 nan 0.000 0.432 52 S N -1.646 114.039 115.700 -0.026 0.000 2.399 52 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 52 S C 1.720 176.322 174.600 0.004 0.000 1.022 52 S CA 1.082 59.279 58.200 -0.005 0.000 0.983 52 S CB -0.525 62.668 63.200 -0.012 0.000 0.803 52 S HN 0.551 nan 8.310 nan 0.000 0.480 53 E N 0.719 120.919 120.200 -0.000 0.000 2.385 53 E HA 0.256 4.606 4.350 -0.000 0.000 0.194 53 E C 0.501 177.112 176.600 0.017 0.000 1.013 53 E CA 0.097 56.502 56.400 0.008 0.000 0.866 53 E CB -0.206 29.499 29.700 0.008 0.000 0.832 53 E HN 0.650 nan 8.360 nan 0.000 0.500 54 M N 1.162 120.771 119.600 0.014 0.000 2.248 54 M HA 0.020 4.500 4.480 -0.000 0.000 0.337 54 M C 0.863 177.185 176.300 0.037 0.000 1.121 54 M CA 0.170 55.483 55.300 0.021 0.000 1.155 54 M CB 0.659 33.266 32.600 0.011 0.000 1.514 54 M HN -0.115 nan 8.290 nan 0.000 0.452 55 T N -1.011 113.567 114.554 0.041 0.000 2.847 55 T HA 0.287 4.637 4.350 -0.000 0.000 0.279 55 T C 1.087 175.819 174.700 0.053 0.000 0.984 55 T CA -1.138 60.994 62.100 0.053 0.000 0.988 55 T CB 0.944 69.836 68.868 0.041 0.000 1.040 55 T HN 0.410 nan 8.240 nan 0.000 0.528 56 V N 1.657 121.602 119.914 0.052 0.000 2.324 56 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 56 V C 3.125 179.273 176.094 0.089 0.000 1.060 56 V CA 2.484 64.813 62.300 0.048 0.000 1.042 56 V CB -1.660 30.148 31.823 -0.025 0.000 0.650 56 V HN 1.083 nan 8.190 nan 0.000 0.450 57 A N -0.191 122.665 122.820 0.059 0.000 1.908 57 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 57 A C 1.985 179.628 177.584 0.098 0.000 1.181 57 A CA 2.106 54.224 52.037 0.136 0.000 0.627 57 A CB -0.657 18.380 19.000 0.062 0.000 0.818 57 A HN 0.560 nan 8.150 nan 0.000 0.445 58 D N 0.087 120.523 120.400 0.059 0.000 2.123 58 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 58 D C 1.871 178.193 176.300 0.036 0.000 0.992 58 D CA 1.277 55.302 54.000 0.041 0.000 0.833 58 D CB -0.225 40.594 40.800 0.032 0.000 0.954 58 D HN 0.440 nan 8.370 nan 0.000 0.455 59 I N 0.233 120.829 120.570 0.043 0.000 2.400 59 I HA -0.070 4.100 4.170 -0.000 0.000 0.248 59 I C 2.403 178.536 176.117 0.028 0.000 1.109 59 I CA 0.429 61.749 61.300 0.032 0.000 1.425 59 I CB -0.793 37.229 38.000 0.036 0.000 1.094 59 I HN -0.008 nan 8.210 nan 0.000 0.425 60 R N 1.815 122.345 120.500 0.051 0.000 2.081 60 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 60 R C 1.534 177.816 176.300 -0.031 0.000 1.131 60 R CA 1.355 57.461 56.100 0.011 0.000 0.960 60 R CB -0.215 30.113 30.300 0.046 0.000 0.856 60 R HN 0.392 nan 8.270 nan 0.000 0.436 61 N N 0.906 119.604 118.700 -0.004 0.000 2.494 61 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 61 N C -0.280 175.219 175.510 -0.019 0.000 1.076 61 N CA 0.503 53.539 53.050 -0.024 0.000 0.908 61 N CB 0.077 38.563 38.487 -0.002 0.000 0.967 61 N HN 0.181 nan 8.380 nan 0.000 0.449 62 N N 1.439 120.134 118.700 -0.008 0.000 2.886 62 N HA 0.212 4.952 4.740 -0.000 0.000 0.285 62 N C -2.653 172.850 175.510 -0.011 0.000 1.706 62 N CA -0.839 52.206 53.050 -0.007 0.000 0.904 62 N CB 1.747 40.235 38.487 0.002 0.000 1.224 62 N HN 0.156 nan 8.380 nan 0.000 0.488 63 P HA 0.019 nan 4.420 nan 0.000 0.272 63 P C 1.478 178.759 177.300 -0.031 0.000 1.230 63 P CA -0.303 62.782 63.100 -0.026 0.000 0.788 63 P CB 1.219 32.901 31.700 -0.031 0.000 0.949 64 V N -0.545 119.349 119.914 -0.034 0.000 2.626 64 V HA -0.011 4.109 4.120 -0.000 0.000 0.252 64 V C 1.009 177.066 176.094 -0.061 0.000 1.067 64 V CA 1.184 63.469 62.300 -0.025 0.000 1.081 64 V CB -1.049 30.771 31.823 -0.005 0.000 0.686 64 V HN 0.281 nan 8.190 nan 0.000 0.468 65 I N 0.860 121.359 120.570 -0.118 0.000 2.509 65 I HA 0.735 4.905 4.170 -0.000 0.000 0.293 65 I C 0.436 176.447 176.117 -0.177 0.000 1.020 65 I CA -0.695 60.463 61.300 -0.237 0.000 1.088 65 I CB 1.609 39.375 38.000 -0.390 0.000 1.267 65 I HN 0.131 nan 8.210 nan 0.000 0.430 66 A N 4.171 126.887 122.820 -0.172 0.000 2.466 66 A HA 0.030 4.350 4.320 -0.000 0.000 0.238 66 A C 0.679 178.228 177.584 -0.059 0.000 1.074 66 A CA 0.243 52.230 52.037 -0.083 0.000 0.774 66 A CB -0.032 18.927 19.000 -0.070 0.000 1.015 66 A HN 0.838 nan 8.150 nan 0.000 0.498 67 Y N 0.733 120.964 120.300 -0.114 0.000 2.128 67 Y HA -0.205 4.345 4.550 -0.000 0.000 0.284 67 Y C 1.938 177.778 175.900 -0.102 0.000 1.154 67 Y CA 2.696 60.732 58.100 -0.107 0.000 1.149 67 Y CB -0.023 38.381 38.460 -0.093 0.000 0.976 67 Y HN 0.817 nan 8.280 nan 0.000 0.505 68 E N -0.169 120.087 120.200 0.094 0.000 2.347 68 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 68 E C 1.200 177.753 176.600 -0.079 0.000 1.008 68 E CA 1.271 57.687 56.400 0.026 0.000 0.852 68 E CB -0.033 29.701 29.700 0.057 0.000 0.783 68 E HN 0.547 nan 8.360 nan 0.000 0.505 69 D N -0.477 119.851 120.400 -0.120 0.000 2.417 69 D HA 0.041 4.681 4.640 -0.000 0.000 0.207 69 D C -0.358 175.826 176.300 -0.194 0.000 1.075 69 D CA 0.261 54.173 54.000 -0.147 0.000 0.851 69 D CB 0.504 41.204 40.800 -0.166 0.000 0.976 69 D HN 0.041 nan 8.370 nan 0.000 0.505 70 D N -0.074 120.187 120.400 -0.231 0.000 2.620 70 D HA 0.079 4.719 4.640 -0.000 0.000 0.252 70 D C 1.363 177.505 176.300 -0.262 0.000 1.207 70 D CA -0.566 53.290 54.000 -0.239 0.000 0.884 70 D CB 1.178 41.821 40.800 -0.263 0.000 1.262 70 D HN -0.012 nan 8.370 nan 0.000 0.552 71 C N 1.959 121.129 119.300 -0.216 0.000 2.432 71 C HA 0.010 4.470 4.460 -0.000 0.000 0.280 71 C C 2.075 176.935 174.990 -0.217 0.000 1.353 71 C CA 0.113 58.998 59.018 -0.222 0.000 1.766 71 C CB -1.110 26.536 27.740 -0.157 0.000 1.924 71 C HN 0.503 nan 8.230 nan 0.000 0.509 72 V N 1.745 121.547 119.914 -0.187 0.000 2.379 72 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 72 V C 2.907 178.895 176.094 -0.176 0.000 1.044 72 V CA 2.605 64.805 62.300 -0.165 0.000 1.036 72 V CB -1.277 30.462 31.823 -0.140 0.000 0.664 72 V HN 0.618 nan 8.190 nan 0.000 0.453 73 T N -0.170 114.269 114.554 -0.191 0.000 2.720 73 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 73 T C 2.079 176.655 174.700 -0.207 0.000 1.037 73 T CA 1.552 63.551 62.100 -0.169 0.000 1.144 73 T CB -0.253 68.520 68.868 -0.158 0.000 0.864 73 T HN 0.391 nan 8.240 nan 0.000 0.444 74 R N 0.355 120.616 120.500 -0.399 0.000 2.083 74 R HA -0.018 4.322 4.340 -0.000 0.000 0.237 74 R C 2.552 178.703 176.300 -0.248 0.000 1.137 74 R CA 1.266 57.033 56.100 -0.555 0.000 0.951 74 R CB -0.709 29.162 30.300 -0.715 0.000 0.851 74 R HN 0.344 nan 8.270 nan 0.000 0.434 75 L N 0.906 121.979 121.223 -0.250 0.000 2.046 75 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 75 L C 2.166 178.926 176.870 -0.183 0.000 1.077 75 L CA 1.413 56.093 54.840 -0.268 0.000 0.747 75 L CB -0.140 41.714 42.059 -0.341 0.000 0.896 75 L HN 0.149 nan 8.230 nan 0.000 0.432 76 I N -0.540 119.950 120.570 -0.133 0.000 2.179 76 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 76 I C 2.583 178.666 176.117 -0.057 0.000 1.088 76 I CA 1.077 62.329 61.300 -0.080 0.000 1.357 76 I CB -0.353 37.604 38.000 -0.070 0.000 1.051 76 I HN 0.386 nan 8.210 nan 0.000 0.409 77 Q N 0.274 120.057 119.800 -0.030 0.000 2.119 77 Q HA -0.188 4.152 4.340 -0.000 0.000 0.201 77 Q C 1.652 177.645 176.000 -0.011 0.000 0.972 77 Q CA 1.337 57.138 55.803 -0.002 0.000 0.847 77 Q CB -0.368 28.448 28.738 0.130 0.000 0.903 77 Q HN 0.519 nan 8.270 nan 0.000 0.433 78 D N 0.538 120.947 120.400 0.015 0.000 2.317 78 D HA -0.077 4.563 4.640 -0.000 0.000 0.211 78 D C 0.811 177.103 176.300 -0.014 0.000 0.966 78 D CA 0.594 54.597 54.000 0.006 0.000 0.876 78 D CB 0.026 40.833 40.800 0.012 0.000 0.927 78 D HN 0.150 nan 8.370 nan 0.000 0.519 79 D N -0.122 120.265 120.400 -0.020 0.000 2.348 79 D HA -0.003 4.637 4.640 -0.000 0.000 0.211 79 D C 0.330 176.614 176.300 -0.026 0.000 0.998 79 D CA 0.051 54.053 54.000 0.003 0.000 0.873 79 D CB 0.497 41.318 40.800 0.034 0.000 0.925 79 D HN -0.025 nan 8.370 nan 0.000 0.524 80 V N 2.205 122.085 119.914 -0.057 0.000 2.617 80 V HA -0.092 4.028 4.120 -0.000 0.000 0.304 80 V C 0.867 176.916 176.094 -0.074 0.000 1.040 80 V CA -0.219 62.029 62.300 -0.086 0.000 1.149 80 V CB 0.483 32.217 31.823 -0.147 0.000 0.914 80 V HN 0.164 nan 8.190 nan 0.000 0.487 81 N N 4.633 123.282 118.700 -0.085 0.000 2.405 81 N HA 0.041 4.781 4.740 -0.000 0.000 0.260 81 N C 0.950 176.425 175.510 -0.057 0.000 1.152 81 N CA -0.265 52.741 53.050 -0.074 0.000 0.948 81 N CB 1.151 39.559 38.487 -0.133 0.000 1.111 81 N HN 0.607 nan 8.380 nan 0.000 0.485 82 E N 2.281 122.473 120.200 -0.013 0.000 2.152 82 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 82 E C 1.156 177.797 176.600 0.069 0.000 0.983 82 E CA 1.056 57.479 56.400 0.040 0.000 0.818 82 E CB -0.091 29.620 29.700 0.020 0.000 0.758 82 E HN 0.616 nan 8.360 nan 0.000 0.467 83 T N 1.247 115.832 114.554 0.052 0.000 2.777 83 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 83 T C 1.950 176.676 174.700 0.044 0.000 1.040 83 T CA 1.437 63.590 62.100 0.087 0.000 1.141 83 T CB -0.142 68.833 68.868 0.178 0.000 0.868 83 T HN 0.269 nan 8.240 nan 0.000 0.444 84 A N 0.620 123.362 122.820 -0.131 0.000 1.877 84 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 84 A C 2.092 179.505 177.584 -0.285 0.000 1.186 84 A CA 1.610 53.372 52.037 -0.458 0.000 0.620 84 A CB -1.072 17.333 19.000 -0.993 0.000 0.822 84 A HN 0.595 nan 8.150 nan 0.000 0.443 85 Y N 1.323 121.456 120.300 -0.278 0.000 2.165 85 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 85 Y C 2.011 177.777 175.900 -0.223 0.000 1.155 85 Y CA 2.214 60.171 58.100 -0.239 0.000 1.164 85 Y CB -0.709 37.649 38.460 -0.169 0.000 0.978 85 Y HN 0.459 nan 8.280 nan 0.000 0.513 86 N N -0.426 118.123 118.700 -0.252 0.000 2.289 86 N HA -0.185 4.555 4.740 -0.000 0.000 0.184 86 N C 1.665 176.986 175.510 -0.315 0.000 1.016 86 N CA 1.050 53.925 53.050 -0.291 0.000 0.872 86 N CB -0.137 38.300 38.487 -0.083 0.000 0.973 86 N HN 0.565 nan 8.380 nan 0.000 0.433 87 Q N 0.274 119.894 119.800 -0.300 0.000 2.230 87 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 87 Q C 1.709 177.326 176.000 -0.640 0.000 0.963 87 Q CA 0.854 56.469 55.803 -0.313 0.000 0.866 87 Q CB 0.139 28.759 28.738 -0.197 0.000 0.931 87 Q HN 0.640 nan 8.270 nan 0.000 0.452 88 I N -2.817 117.227 120.570 -0.876 0.000 4.154 88 I HA 0.125 4.295 4.170 -0.000 0.000 0.334 88 I C 1.598 177.206 176.117 -0.849 0.000 1.371 88 I CA -0.213 60.240 61.300 -1.412 0.000 1.110 88 I CB 0.142 37.307 38.000 -1.391 0.000 1.085 88 I HN -0.080 nan 8.210 nan 0.000 0.398 89 K N 0.891 120.861 120.400 -0.717 0.000 2.209 89 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 89 K C 0.915 177.366 176.600 -0.249 0.000 1.048 89 K CA 1.451 57.372 56.287 -0.610 0.000 0.940 89 K CB -0.409 31.539 32.500 -0.920 0.000 0.729 89 K HN 0.285 nan 8.250 nan 0.000 0.451 90 N N -0.074 118.536 118.700 -0.149 0.000 2.336 90 N HA 0.004 4.744 4.740 -0.000 0.000 0.189 90 N C -0.678 174.947 175.510 0.191 0.000 1.113 90 N CA 0.206 53.270 53.050 0.023 0.000 0.858 90 N CB 0.103 38.611 38.487 0.035 0.000 0.970 90 N HN 0.191 nan 8.380 nan 0.000 0.471 91 W N 2.616 123.856 121.300 -0.100 0.000 2.216 91 W HA 0.157 4.817 4.660 0.000 0.000 0.326 91 W C 1.173 177.662 176.519 -0.049 0.000 1.319 91 W CA -1.395 55.905 57.345 -0.076 0.000 1.213 91 W CB -0.032 29.367 29.460 -0.102 0.000 1.171 91 W HN -0.130 nan 8.180 nan 0.000 0.557 92 S N 2.941 118.736 115.700 0.158 0.000 2.593 92 S HA 0.152 4.622 4.470 -0.000 0.000 0.269 92 S C 1.116 175.785 174.600 0.114 0.000 1.334 92 S CA -0.683 57.573 58.200 0.094 0.000 1.015 92 S CB 0.941 64.165 63.200 0.039 0.000 0.912 92 S HN 0.322 nan 8.310 nan 0.000 0.541 93 I N 1.716 122.338 120.570 0.087 0.000 2.361 93 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 93 I C 2.754 178.920 176.117 0.082 0.000 1.133 93 I CA 1.538 62.894 61.300 0.093 0.000 1.413 93 I CB -2.105 35.933 38.000 0.064 0.000 1.073 93 I HN 0.918 nan 8.210 nan 0.000 0.424 94 S N 0.759 116.488 115.700 0.048 0.000 2.368 94 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 94 S C 1.911 176.525 174.600 0.023 0.000 1.030 94 S CA 1.584 59.801 58.200 0.027 0.000 0.999 94 S CB -0.105 63.097 63.200 0.003 0.000 0.844 94 S HN 0.504 nan 8.310 nan 0.000 0.459 95 E N -0.010 120.191 120.200 0.002 0.000 2.150 95 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 95 E C 1.964 178.565 176.600 0.001 0.000 0.985 95 E CA 1.031 57.385 56.400 -0.077 0.000 0.814 95 E CB -0.187 29.378 29.700 -0.225 0.000 0.752 95 E HN 0.397 nan 8.360 nan 0.000 0.466 96 L N 1.205 122.520 121.223 0.153 0.000 2.109 96 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 96 L C 2.249 179.289 176.870 0.283 0.000 1.086 96 L CA 1.587 56.608 54.840 0.302 0.000 0.760 96 L CB -0.339 41.905 42.059 0.308 0.000 0.910 96 L HN -0.066 nan 8.230 nan 0.000 0.437 97 R N -0.187 120.427 120.500 0.191 0.000 2.080 97 R HA -0.193 4.147 4.340 -0.000 0.000 0.236 97 R C 2.068 178.458 176.300 0.150 0.000 1.137 97 R CA 2.040 58.241 56.100 0.169 0.000 0.943 97 R CB -0.297 30.060 30.300 0.096 0.000 0.846 97 R HN 0.512 nan 8.270 nan 0.000 0.431 98 E N -0.731 119.531 120.200 0.103 0.000 2.153 98 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 98 E C 1.753 178.415 176.600 0.103 0.000 0.988 98 E CA 1.327 57.769 56.400 0.069 0.000 0.811 98 E CB -0.231 29.478 29.700 0.015 0.000 0.746 98 E HN 0.437 nan 8.360 nan 0.000 0.466 99 Y N 1.111 121.422 120.300 0.018 0.000 2.163 99 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 99 Y C 2.147 178.119 175.900 0.120 0.000 1.136 99 Y CA 1.146 59.277 58.100 0.051 0.000 1.147 99 Y CB -0.174 38.342 38.460 0.094 0.000 0.987 99 Y HN -0.196 nan 8.280 nan 0.000 0.509 100 V N 0.558 120.611 119.914 0.232 0.000 2.343 100 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 100 V C 2.307 178.467 176.094 0.111 0.000 1.051 100 V CA 2.049 64.446 62.300 0.161 0.000 1.036 100 V CB -0.670 31.327 31.823 0.290 0.000 0.654 100 V HN 0.442 nan 8.190 nan 0.000 0.451 101 L N -0.244 121.064 121.223 0.142 0.000 2.313 101 L HA 0.043 4.383 4.340 -0.000 0.000 0.214 101 L C 1.500 178.453 176.870 0.138 0.000 1.119 101 L CA 0.282 55.228 54.840 0.176 0.000 0.809 101 L CB -0.252 41.888 42.059 0.135 0.000 0.933 101 L HN 0.279 nan 8.230 nan 0.000 0.449 102 S N 0.169 115.893 115.700 0.039 0.000 2.549 102 S HA -0.065 4.405 4.470 -0.000 0.000 0.286 102 S C 0.900 175.514 174.600 0.023 0.000 1.314 102 S CA -0.542 57.661 58.200 0.005 0.000 1.062 102 S CB 0.529 63.696 63.200 -0.055 0.000 0.865 102 S HN 0.188 nan 8.310 nan 0.000 0.498 103 D N 2.692 123.121 120.400 0.048 0.000 2.347 103 D HA -0.010 4.630 4.640 -0.000 0.000 0.215 103 D C 1.224 177.533 176.300 0.015 0.000 0.976 103 D CA 0.556 54.593 54.000 0.062 0.000 0.884 103 D CB 0.161 41.008 40.800 0.078 0.000 0.915 103 D HN 0.628 nan 8.370 nan 0.000 0.526 104 E N 0.105 120.298 120.200 -0.011 0.000 2.435 104 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 104 E C 0.313 176.884 176.600 -0.048 0.000 1.029 104 E CA 0.319 56.709 56.400 -0.016 0.000 0.865 104 E CB -0.003 29.693 29.700 -0.007 0.000 0.833 104 E HN 0.078 nan 8.360 nan 0.000 0.510 105 T N 2.285 116.771 114.554 -0.114 0.000 2.723 105 T HA 0.204 4.554 4.350 -0.000 0.000 0.297 105 T C 0.442 175.080 174.700 -0.103 0.000 0.925 105 T CA -0.313 61.663 62.100 -0.207 0.000 1.030 105 T CB 0.843 69.407 68.868 -0.506 0.000 0.905 105 T HN 0.071 nan 8.240 nan 0.000 0.502 106 S N 2.610 118.282 115.700 -0.046 0.000 2.645 106 S HA 0.281 4.751 4.470 -0.000 0.000 0.266 106 S C 1.643 176.242 174.600 -0.002 0.000 1.258 106 S CA -0.908 57.285 58.200 -0.011 0.000 0.990 106 S CB 0.707 63.914 63.200 0.013 0.000 0.967 106 S HN 0.295 nan 8.310 nan 0.000 0.556 107 V N 1.169 121.086 119.914 0.005 0.000 2.332 107 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 107 V C 2.101 178.219 176.094 0.040 0.000 1.055 107 V CA 2.299 64.606 62.300 0.013 0.000 1.038 107 V CB -0.960 30.867 31.823 0.007 0.000 0.651 107 V HN 0.835 nan 8.190 nan 0.000 0.450 108 D N -0.414 120.014 120.400 0.047 0.000 2.224 108 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 108 D C 1.889 178.260 176.300 0.117 0.000 0.965 108 D CA 0.948 54.990 54.000 0.070 0.000 0.852 108 D CB -0.247 40.584 40.800 0.051 0.000 0.947 108 D HN 0.426 nan 8.370 nan 0.000 0.494 109 D N 0.421 120.893 120.400 0.120 0.000 2.097 109 D HA -0.076 4.564 4.640 -0.000 0.000 0.195 109 D C 2.266 178.728 176.300 0.270 0.000 0.989 109 D CA 0.491 54.614 54.000 0.206 0.000 0.827 109 D CB -0.189 40.714 40.800 0.170 0.000 0.966 109 D HN 0.263 nan 8.370 nan 0.000 0.456 110 I N 1.166 121.845 120.570 0.182 0.000 2.315 110 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 110 I C 2.460 178.657 176.117 0.134 0.000 1.117 110 I CA 0.718 62.127 61.300 0.182 0.000 1.404 110 I CB -0.175 37.881 38.000 0.094 0.000 1.071 110 I HN -0.095 nan 8.210 nan 0.000 0.419 111 A N 0.683 123.575 122.820 0.120 0.000 1.927 111 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 111 A C 2.273 179.951 177.584 0.156 0.000 1.185 111 A CA 1.970 54.074 52.037 0.111 0.000 0.639 111 A CB -1.013 18.051 19.000 0.105 0.000 0.820 111 A HN 0.509 nan 8.150 nan 0.000 0.451 112 F N 0.221 120.199 119.950 0.046 0.000 2.219 112 F HA -0.044 4.483 4.527 0.000 0.000 0.294 112 F C 2.542 178.353 175.800 0.018 0.000 1.086 112 F CA 1.749 59.767 58.000 0.030 0.000 1.330 112 F CB -0.129 38.890 39.000 0.031 0.000 1.047 112 F HN 0.187 nan 8.300 nan 0.000 0.495 113 T N 1.421 115.985 114.554 0.017 0.000 2.720 113 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 113 T C 1.835 176.444 174.700 -0.152 0.000 1.037 113 T CA 1.879 63.914 62.100 -0.108 0.000 1.144 113 T CB -0.433 68.496 68.868 0.102 0.000 0.864 113 T HN 0.404 nan 8.240 nan 0.000 0.444 114 R N 1.475 121.938 120.500 -0.062 0.000 2.237 114 R HA 0.061 4.401 4.340 -0.000 0.000 0.219 114 R C 1.936 178.174 176.300 -0.103 0.000 1.080 114 R CA 1.207 57.272 56.100 -0.059 0.000 0.995 114 R CB -0.267 30.016 30.300 -0.027 0.000 0.875 114 R HN 0.251 nan 8.270 nan 0.000 0.462 115 K N 0.433 120.727 120.400 -0.177 0.000 2.365 115 K HA 0.022 4.342 4.320 -0.000 0.000 0.199 115 K C 1.618 178.101 176.600 -0.195 0.000 1.045 115 K CA 1.039 57.214 56.287 -0.187 0.000 0.962 115 K CB 0.165 32.521 32.500 -0.239 0.000 0.759 115 K HN 0.471 nan 8.250 nan 0.000 0.469 116 G N 0.635 109.299 108.800 -0.227 0.000 3.141 116 G HA2 0.129 4.089 3.960 -0.000 0.000 0.218 116 G HA3 0.129 4.089 3.960 -0.000 0.000 0.218 116 G C 0.290 175.181 174.900 -0.016 0.000 1.170 116 G CA -0.228 44.801 45.100 -0.117 0.000 0.769 116 G HN -0.013 nan 8.290 nan 0.000 0.546 117 L N 1.218 122.410 121.223 -0.051 0.000 2.360 117 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 117 L C 0.751 177.607 176.870 -0.023 0.000 1.057 117 L CA -0.765 54.067 54.840 -0.014 0.000 0.803 117 L CB 1.812 43.862 42.059 -0.014 0.000 1.207 117 L HN 0.090 nan 8.230 nan 0.000 0.445 118 T N -2.853 111.694 114.554 -0.011 0.000 2.938 118 T HA 0.266 4.616 4.350 -0.000 0.000 0.285 118 T C 0.881 175.582 174.700 0.001 0.000 1.028 118 T CA -0.689 61.398 62.100 -0.021 0.000 1.005 118 T CB 1.624 70.469 68.868 -0.038 0.000 1.157 118 T HN 0.451 nan 8.240 nan 0.000 0.550 119 S N 0.217 115.915 115.700 -0.004 0.000 2.382 119 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 119 S C 1.871 176.479 174.600 0.013 0.000 1.027 119 S CA 1.374 59.579 58.200 0.008 0.000 0.991 119 S CB -0.500 62.689 63.200 -0.018 0.000 0.823 119 S HN 0.817 nan 8.310 nan 0.000 0.469 120 E N 0.854 121.055 120.200 0.003 0.000 2.110 120 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 120 E C 2.056 178.675 176.600 0.032 0.000 0.988 120 E CA 0.883 57.289 56.400 0.010 0.000 0.804 120 E CB -0.324 29.376 29.700 -0.000 0.000 0.745 120 E HN 0.305 nan 8.360 nan 0.000 0.458 121 V N -0.025 119.911 119.914 0.037 0.000 2.358 121 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 121 V C 2.211 178.353 176.094 0.081 0.000 1.047 121 V CA 1.189 63.523 62.300 0.057 0.000 1.035 121 V CB -0.482 31.374 31.823 0.055 0.000 0.658 121 V HN 0.134 nan 8.190 nan 0.000 0.452 122 V N 0.652 120.610 119.914 0.073 0.000 2.287 122 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 122 V C 2.762 178.948 176.094 0.152 0.000 1.053 122 V CA 2.282 64.640 62.300 0.097 0.000 1.027 122 V CB -1.180 30.685 31.823 0.070 0.000 0.646 122 V HN 0.565 nan 8.190 nan 0.000 0.447 123 A N -0.211 122.677 122.820 0.113 0.000 1.902 123 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 123 A C 2.434 180.081 177.584 0.106 0.000 1.181 123 A CA 2.039 54.144 52.037 0.113 0.000 0.623 123 A CB -0.800 18.236 19.000 0.059 0.000 0.818 123 A HN 0.583 nan 8.150 nan 0.000 0.443 124 A N -0.507 122.363 122.820 0.083 0.000 1.908 124 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 124 A C 2.230 179.866 177.584 0.086 0.000 1.181 124 A CA 1.882 53.957 52.037 0.063 0.000 0.627 124 A CB -0.984 18.046 19.000 0.050 0.000 0.818 124 A HN 0.406 nan 8.150 nan 0.000 0.445 125 V N -0.188 119.810 119.914 0.141 0.000 2.343 125 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 125 V C 3.039 179.222 176.094 0.149 0.000 1.051 125 V CA 1.919 64.327 62.300 0.179 0.000 1.036 125 V CB -1.194 30.798 31.823 0.281 0.000 0.654 125 V HN 0.624 nan 8.190 nan 0.000 0.451 126 A N -0.303 122.648 122.820 0.218 0.000 1.972 126 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 126 A C 2.239 179.817 177.584 -0.010 0.000 1.169 126 A CA 1.882 53.967 52.037 0.081 0.000 0.635 126 A CB -0.417 18.740 19.000 0.261 0.000 0.810 126 A HN 0.560 nan 8.150 nan 0.000 0.446 127 K N -0.310 120.106 120.400 0.027 0.000 2.283 127 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 127 K C 1.204 177.791 176.600 -0.021 0.000 1.048 127 K CA 1.360 57.649 56.287 0.002 0.000 0.948 127 K CB -0.232 32.270 32.500 0.004 0.000 0.742 127 K HN 0.820 nan 8.250 nan 0.000 0.458 128 I N -2.902 117.654 120.570 -0.023 0.000 3.914 128 I HA 0.228 4.398 4.170 -0.000 0.000 0.333 128 I C -0.338 175.748 176.117 -0.052 0.000 1.449 128 I CA -0.715 60.566 61.300 -0.031 0.000 1.135 128 I CB 0.255 38.245 38.000 -0.016 0.000 1.073 128 I HN -0.154 nan 8.210 nan 0.000 0.401 129 C N 1.958 121.201 119.300 -0.095 0.000 2.329 129 C HA 0.607 5.067 4.460 -0.000 0.000 0.329 129 C C 1.284 176.206 174.990 -0.114 0.000 1.275 129 C CA -0.337 58.593 59.018 -0.147 0.000 1.726 129 C CB 1.243 28.784 27.740 -0.332 0.000 2.291 129 C HN 0.705 nan 8.230 nan 0.000 0.514 130 S N 3.365 119.014 115.700 -0.084 0.000 2.634 130 S HA 0.133 4.603 4.470 -0.000 0.000 0.261 130 S C 0.989 175.554 174.600 -0.058 0.000 1.271 130 S CA -0.020 58.147 58.200 -0.055 0.000 0.985 130 S CB 0.426 63.604 63.200 -0.036 0.000 0.968 130 S HN 0.729 nan 8.310 nan 0.000 0.568 131 N N 1.133 119.817 118.700 -0.027 0.000 2.104 131 N HA -0.046 4.694 4.740 -0.000 0.000 0.190 131 N C 1.867 177.379 175.510 0.005 0.000 1.024 131 N CA 1.786 54.831 53.050 -0.009 0.000 0.853 131 N CB -1.107 37.386 38.487 0.009 0.000 1.008 131 N HN 0.794 nan 8.380 nan 0.000 0.424 132 A N 0.558 123.383 122.820 0.007 0.000 2.014 132 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 132 A C 1.601 179.214 177.584 0.049 0.000 1.163 132 A CA 1.253 53.310 52.037 0.033 0.000 0.652 132 A CB -0.235 18.774 19.000 0.015 0.000 0.808 132 A HN 0.113 nan 8.150 nan 0.000 0.449 133 D N 0.365 120.760 120.400 -0.007 0.000 2.117 133 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 133 D C 1.906 178.164 176.300 -0.069 0.000 0.987 133 D CA 1.034 55.019 54.000 -0.025 0.000 0.829 133 D CB -0.339 40.403 40.800 -0.098 0.000 0.961 133 D HN 0.459 nan 8.370 nan 0.000 0.460 134 L N 0.331 121.461 121.223 -0.155 0.000 2.093 134 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 134 L C 2.483 179.426 176.870 0.120 0.000 1.085 134 L CA 0.661 55.383 54.840 -0.197 0.000 0.755 134 L CB -0.231 41.750 42.059 -0.130 0.000 0.904 134 L HN 0.017 nan 8.230 nan 0.000 0.435 135 I N -1.664 118.985 120.570 0.131 0.000 2.193 135 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 135 I C 2.519 178.758 176.117 0.203 0.000 1.084 135 I CA 1.351 62.760 61.300 0.181 0.000 1.365 135 I CB -0.340 37.742 38.000 0.137 0.000 1.064 135 I HN 0.119 nan 8.210 nan 0.000 0.410 136 Y N 1.762 122.114 120.300 0.086 0.000 2.181 136 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 136 Y C 2.432 178.404 175.900 0.120 0.000 1.146 136 Y CA 1.655 59.804 58.100 0.083 0.000 1.164 136 Y CB -0.683 37.806 38.460 0.049 0.000 0.982 136 Y HN 0.088 nan 8.280 nan 0.000 0.515 137 G N -0.420 108.549 108.800 0.282 0.000 2.421 137 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 137 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 137 G C 1.820 176.864 174.900 0.239 0.000 1.171 137 G CA 0.981 46.277 45.100 0.328 0.000 0.775 137 G HN 0.564 nan 8.290 nan 0.000 0.543 138 A N 0.626 123.625 122.820 0.298 0.000 1.933 138 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 138 A C 2.205 179.805 177.584 0.027 0.000 1.175 138 A CA 2.310 54.400 52.037 0.089 0.000 0.628 138 A CB -0.347 18.712 19.000 0.099 0.000 0.814 138 A HN 0.362 nan 8.150 nan 0.000 0.444 139 K N 1.227 121.641 120.400 0.024 0.000 2.097 139 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 139 K C 1.733 178.264 176.600 -0.114 0.000 1.049 139 K CA 1.955 58.216 56.287 -0.043 0.000 0.933 139 K CB -0.234 32.198 32.500 -0.115 0.000 0.717 139 K HN 0.604 nan 8.250 nan 0.000 0.442 140 K N -0.355 119.938 120.400 -0.180 0.000 2.458 140 K HA 0.077 4.397 4.320 -0.000 0.000 0.194 140 K C -0.015 176.539 176.600 -0.077 0.000 1.024 140 K CA 0.271 56.467 56.287 -0.152 0.000 1.108 140 K CB 0.114 32.494 32.500 -0.200 0.000 0.846 140 K HN 0.098 nan 8.250 nan 0.000 0.518 141 M N 3.130 122.689 119.600 -0.068 0.000 2.854 141 M HA 0.290 4.770 4.480 -0.000 0.000 0.203 141 M C -2.588 173.675 176.300 -0.061 0.000 1.069 141 M CA -1.884 53.375 55.300 -0.068 0.000 0.803 141 M CB 1.358 33.891 32.600 -0.111 0.000 1.380 141 M HN -0.100 nan 8.290 nan 0.000 0.494 142 P HA 0.291 nan 4.420 nan 0.000 0.275 142 P C -0.710 176.579 177.300 -0.019 0.000 1.228 142 P CA -0.257 62.835 63.100 -0.013 0.000 0.786 142 P CB 1.678 33.379 31.700 0.002 0.000 0.927 143 V N 4.143 124.047 119.914 -0.017 0.000 2.483 143 V HA 0.386 4.506 4.120 -0.000 0.000 0.297 143 V C 0.252 176.337 176.094 -0.014 0.000 1.027 143 V CA -0.482 61.806 62.300 -0.020 0.000 0.855 143 V CB 1.538 33.338 31.823 -0.038 0.000 0.995 143 V HN 0.396 nan 8.190 nan 0.000 0.424 144 I N 5.617 126.186 120.570 -0.002 0.000 2.378 144 I HA 0.582 4.752 4.170 -0.000 0.000 0.291 144 I C -0.209 175.920 176.117 0.020 0.000 0.992 144 I CA -0.547 60.758 61.300 0.007 0.000 1.154 144 I CB 1.593 39.607 38.000 0.022 0.000 1.315 144 I HN 0.413 nan 8.210 nan 0.000 0.448 145 K N 5.295 125.710 120.400 0.025 0.000 2.400 145 K HA 0.595 4.915 4.320 -0.000 0.000 0.246 145 K C -1.059 175.691 176.600 0.250 0.000 0.995 145 K CA -0.967 55.386 56.287 0.110 0.000 0.840 145 K CB 2.704 35.253 32.500 0.082 0.000 1.293 145 K HN 0.427 nan 8.250 nan 0.000 0.445 146 K N 0.436 121.008 120.400 0.287 0.000 2.535 146 K HA 0.596 4.916 4.320 -0.000 0.000 0.250 146 K C -0.844 175.709 176.600 -0.078 0.000 0.948 146 K CA -0.330 56.069 56.287 0.185 0.000 0.796 146 K CB 1.729 34.272 32.500 0.072 0.000 1.216 146 K HN 0.663 nan 8.250 nan 0.000 0.432 147 A N 3.074 125.586 122.820 -0.514 0.000 2.899 147 A HA 0.258 4.578 4.320 -0.000 0.000 0.209 147 A C 0.685 178.050 177.584 -0.365 0.000 2.128 147 A CA -0.120 51.497 52.037 -0.701 0.000 1.768 147 A CB -0.117 18.009 19.000 -1.456 0.000 1.238 147 A HN 0.772 nan 8.150 nan 0.000 0.375 148 N N 0.217 118.703 118.700 -0.358 0.000 2.373 148 N HA 0.071 4.811 4.740 -0.000 0.000 0.181 148 N C -0.069 175.372 175.510 -0.114 0.000 1.082 148 N CA 1.137 54.079 53.050 -0.180 0.000 0.885 148 N CB 0.306 38.705 38.487 -0.146 0.000 0.977 148 N HN 0.710 nan 8.380 nan 0.000 0.462 149 T N -2.246 112.226 114.554 -0.137 0.000 2.924 149 T HA 0.507 4.857 4.350 -0.000 0.000 0.291 149 T C -0.216 174.544 174.700 0.100 0.000 1.045 149 T CA -0.693 61.412 62.100 0.008 0.000 1.015 149 T CB 2.157 71.048 68.868 0.038 0.000 1.103 149 T HN -0.225 nan 8.240 nan 0.000 0.496 150 T N 2.128 116.754 114.554 0.120 0.000 2.795 150 T HA 0.626 4.976 4.350 -0.000 0.000 0.282 150 T C -0.417 174.352 174.700 0.115 0.000 0.980 150 T CA -0.595 61.590 62.100 0.142 0.000 1.012 150 T CB 0.607 69.528 68.868 0.088 0.000 0.936 150 T HN 0.695 nan 8.240 nan 0.000 0.457 151 I N 1.271 121.888 120.570 0.078 0.000 2.569 151 I HA 0.573 4.743 4.170 -0.000 0.000 0.296 151 I C 0.818 176.904 176.117 -0.052 0.000 1.028 151 I CA 0.101 61.365 61.300 -0.060 0.000 1.082 151 I CB 1.474 39.286 38.000 -0.312 0.000 1.264 151 I HN 0.835 nan 8.210 nan 0.000 0.429 152 G N 6.171 114.955 108.800 -0.027 0.000 2.176 152 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 152 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 152 G C 0.221 175.138 174.900 0.028 0.000 0.986 152 G CA -0.119 44.981 45.100 0.001 0.000 0.643 152 G HN 0.533 nan 8.290 nan 0.000 0.522 153 I N 2.780 123.372 120.570 0.036 0.000 2.668 153 I HA 0.160 4.330 4.170 -0.000 0.000 0.285 153 I C -1.593 174.557 176.117 0.055 0.000 1.168 153 I CA -1.469 59.858 61.300 0.044 0.000 1.424 153 I CB 0.560 38.590 38.000 0.050 0.000 1.377 153 I HN -0.081 nan 8.210 nan 0.000 0.560 154 P HA 0.012 nan 4.420 nan 0.000 0.262 154 P C 0.761 178.095 177.300 0.058 0.000 1.182 154 P CA 0.669 63.799 63.100 0.051 0.000 0.761 154 P CB 0.582 32.301 31.700 0.032 0.000 0.795 155 G N 1.299 110.141 108.800 0.070 0.000 2.175 155 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 155 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 155 G C 0.253 175.212 174.900 0.098 0.000 0.982 155 G CA 0.275 45.418 45.100 0.071 0.000 0.641 155 G HN 0.850 nan 8.290 nan 0.000 0.527 156 T N -2.336 112.290 114.554 0.120 0.000 2.926 156 T HA 0.795 5.145 4.350 -0.000 0.000 0.289 156 T C -0.874 173.974 174.700 0.246 0.000 1.054 156 T CA -0.665 61.529 62.100 0.156 0.000 1.015 156 T CB 2.914 71.851 68.868 0.115 0.000 1.167 156 T HN 1.348 nan 8.240 nan 0.000 0.526 157 F N 0.550 120.534 119.950 0.056 0.000 2.651 157 F HA 0.562 5.089 4.527 -0.000 0.000 0.329 157 F C -0.743 175.094 175.800 0.062 0.000 1.186 157 F CA -0.313 57.719 58.000 0.054 0.000 1.046 157 F CB 1.721 40.752 39.000 0.052 0.000 1.296 157 F HN 0.823 nan 8.300 nan 0.000 0.497 158 S N 3.051 118.499 115.700 -0.420 0.000 2.767 158 S HA 0.988 5.458 4.470 -0.000 0.000 0.300 158 S C -0.935 173.445 174.600 -0.367 0.000 1.123 158 S CA -0.409 57.616 58.200 -0.291 0.000 0.992 158 S CB 1.790 64.844 63.200 -0.242 0.000 1.138 158 S HN 0.903 nan 8.310 nan 0.000 0.550 159 A N 1.153 123.850 122.820 -0.204 0.000 2.517 159 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 159 A C -0.776 176.755 177.584 -0.089 0.000 1.050 159 A CA -0.746 51.241 52.037 -0.084 0.000 0.694 159 A CB 1.060 20.077 19.000 0.027 0.000 1.277 159 A HN 0.751 nan 8.150 nan 0.000 0.400 160 R N 2.750 123.260 120.500 0.016 0.000 2.298 160 R HA 0.516 4.856 4.340 -0.000 0.000 0.310 160 R C -1.141 175.191 176.300 0.052 0.000 1.068 160 R CA -0.400 55.688 56.100 -0.019 0.000 0.957 160 R CB 0.459 30.791 30.300 0.054 0.000 1.003 160 R HN 0.740 nan 8.270 nan 0.000 0.454 161 L N 4.448 125.684 121.223 0.022 0.000 2.313 161 L HA 0.157 4.497 4.340 -0.000 0.000 0.282 161 L C -0.299 176.625 176.870 0.090 0.000 1.092 161 L CA 0.129 55.041 54.840 0.122 0.000 0.831 161 L CB 0.902 42.983 42.059 0.036 0.000 1.159 161 L HN 0.725 nan 8.230 nan 0.000 0.442 162 Q N 7.336 127.214 119.800 0.129 0.000 2.571 162 Q HA 0.367 4.707 4.340 -0.000 0.000 0.243 162 Q C -2.370 173.676 176.000 0.076 0.000 1.055 162 Q CA -1.697 54.150 55.803 0.073 0.000 0.815 162 Q CB 1.198 29.973 28.738 0.062 0.000 1.151 162 Q HN 0.317 nan 8.270 nan 0.000 0.519 163 P HA 0.213 nan 4.420 nan 0.000 0.208 163 P C -1.044 176.280 177.300 0.041 0.000 1.863 163 P CA -0.420 62.723 63.100 0.072 0.000 1.037 163 P CB 0.100 31.829 31.700 0.048 0.000 1.881 164 N N 1.511 120.234 118.700 0.038 0.000 2.525 164 N HA 0.277 5.017 4.740 -0.000 0.000 0.271 164 N C -0.325 175.204 175.510 0.032 0.000 1.194 164 N CA 0.415 53.485 53.050 0.033 0.000 0.964 164 N CB 0.670 39.185 38.487 0.046 0.000 1.126 164 N HN 0.247 nan 8.380 nan 0.000 0.452 165 D N -1.807 118.610 120.400 0.029 0.000 2.645 165 D HA 0.355 4.995 4.640 -0.000 0.000 0.228 165 D C 0.310 176.625 176.300 0.025 0.000 1.148 165 D CA -0.525 53.492 54.000 0.028 0.000 0.860 165 D CB 1.217 42.034 40.800 0.029 0.000 1.548 165 D HN 0.293 nan 8.370 nan 0.000 0.460 166 T N 1.220 115.787 114.554 0.022 0.000 2.915 166 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 166 T C 1.150 175.860 174.700 0.017 0.000 1.071 166 T CA 1.112 63.223 62.100 0.019 0.000 1.132 166 T CB -0.010 68.868 68.868 0.015 0.000 0.878 166 T HN 0.339 nan 8.240 nan 0.000 0.479 167 R N 0.397 120.908 120.500 0.018 0.000 2.565 167 R HA 0.271 4.611 4.340 -0.000 0.000 0.347 167 R C -0.347 175.964 176.300 0.018 0.000 1.010 167 R CA -0.171 55.939 56.100 0.017 0.000 1.126 167 R CB 0.107 30.417 30.300 0.017 0.000 1.331 167 R HN -0.028 nan 8.270 nan 0.000 0.552 168 D N 1.054 121.466 120.400 0.019 0.000 2.911 168 D HA -0.215 4.425 4.640 -0.000 0.000 0.227 168 D C -0.705 175.609 176.300 0.022 0.000 1.164 168 D CA 1.269 55.281 54.000 0.019 0.000 0.782 168 D CB -1.044 39.766 40.800 0.016 0.000 1.094 168 D HN 0.437 nan 8.370 nan 0.000 0.425 169 D N -0.667 119.748 120.400 0.025 0.000 2.450 169 D HA 0.158 4.798 4.640 -0.000 0.000 0.247 169 D C 1.860 178.181 176.300 0.035 0.000 1.162 169 D CA 0.269 54.287 54.000 0.030 0.000 0.879 169 D CB 1.060 41.880 40.800 0.032 0.000 1.163 169 D HN 0.003 nan 8.370 nan 0.000 0.472 170 V N 1.863 121.800 119.914 0.037 0.000 2.667 170 V HA -0.183 3.937 4.120 -0.000 0.000 0.252 170 V C 1.653 177.782 176.094 0.058 0.000 1.065 170 V CA 1.039 63.364 62.300 0.041 0.000 1.083 170 V CB -0.527 31.321 31.823 0.041 0.000 0.692 170 V HN 0.586 nan 8.190 nan 0.000 0.468 171 Q N 1.083 120.924 119.800 0.068 0.000 2.123 171 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 171 Q C 2.561 178.618 176.000 0.094 0.000 0.966 171 Q CA 1.852 57.711 55.803 0.093 0.000 0.845 171 Q CB -0.410 28.377 28.738 0.082 0.000 0.907 171 Q HN 0.732 nan 8.270 nan 0.000 0.439 172 S N 0.639 116.381 115.700 0.070 0.000 2.387 172 S HA -0.048 4.422 4.470 -0.000 0.000 0.226 172 S C 2.023 176.662 174.600 0.065 0.000 1.026 172 S CA 0.345 58.586 58.200 0.069 0.000 0.972 172 S CB -0.076 63.156 63.200 0.053 0.000 0.814 172 S HN 0.268 nan 8.310 nan 0.000 0.477 173 I N 1.703 122.300 120.570 0.045 0.000 2.202 173 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 173 I C 2.900 179.012 176.117 -0.009 0.000 1.091 173 I CA 1.141 62.454 61.300 0.022 0.000 1.368 173 I CB -0.550 37.455 38.000 0.007 0.000 1.058 173 I HN 0.398 nan 8.210 nan 0.000 0.410 174 A N 0.764 123.580 122.820 -0.006 0.000 1.902 174 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 174 A C 2.556 180.130 177.584 -0.016 0.000 1.181 174 A CA 1.851 53.836 52.037 -0.088 0.000 0.623 174 A CB -0.914 18.113 19.000 0.045 0.000 0.818 174 A HN 0.428 nan 8.150 nan 0.000 0.443 175 A N -0.673 122.245 122.820 0.164 0.000 1.917 175 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 175 A C 2.122 179.827 177.584 0.201 0.000 1.182 175 A CA 1.862 54.050 52.037 0.252 0.000 0.633 175 A CB -0.624 18.487 19.000 0.186 0.000 0.819 175 A HN 0.666 nan 8.150 nan 0.000 0.448 176 Q N -0.861 119.022 119.800 0.139 0.000 2.230 176 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 176 Q C 1.984 178.038 176.000 0.090 0.000 0.963 176 Q CA 1.076 56.990 55.803 0.185 0.000 0.866 176 Q CB -0.219 28.634 28.738 0.190 0.000 0.931 176 Q HN 0.758 nan 8.270 nan 0.000 0.452 177 I N -0.435 120.094 120.570 -0.067 0.000 2.202 177 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 177 I C 1.633 177.577 176.117 -0.288 0.000 1.091 177 I CA 1.179 62.340 61.300 -0.233 0.000 1.368 177 I CB -0.204 37.562 38.000 -0.391 0.000 1.058 177 I HN 0.195 nan 8.210 nan 0.000 0.410 178 Y N 0.756 120.982 120.300 -0.123 0.000 2.274 178 Y HA -0.262 4.288 4.550 0.000 0.000 0.290 178 Y C 2.543 178.454 175.900 0.019 0.000 1.145 178 Y CA 1.494 59.481 58.100 -0.188 0.000 1.203 178 Y CB -0.684 37.796 38.460 0.033 0.000 0.984 178 Y HN 0.227 nan 8.280 nan 0.000 0.533 179 E N -0.184 120.118 120.200 0.170 0.000 2.047 179 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 179 E C 2.597 179.077 176.600 -0.200 0.000 0.987 179 E CA 1.462 57.942 56.400 0.134 0.000 0.799 179 E CB -0.679 29.175 29.700 0.257 0.000 0.752 179 E HN 0.356 nan 8.360 nan 0.000 0.449 180 G N 0.773 109.125 108.800 -0.747 0.000 2.421 180 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 180 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 180 G C 1.577 176.283 174.900 -0.324 0.000 1.171 180 G CA 0.931 45.231 45.100 -1.333 0.000 0.775 180 G HN 0.270 nan 8.290 nan 0.000 0.543 181 L N 1.545 122.731 121.223 -0.062 0.000 2.083 181 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 181 L C 3.216 180.282 176.870 0.327 0.000 1.083 181 L CA 1.483 56.475 54.840 0.253 0.000 0.752 181 L CB -0.391 41.808 42.059 0.233 0.000 0.899 181 L HN 0.442 nan 8.230 nan 0.000 0.433 182 S N -0.810 115.049 115.700 0.265 0.000 2.474 182 S HA -0.105 4.365 4.470 -0.000 0.000 0.235 182 S C 1.457 175.948 174.600 -0.181 0.000 0.997 182 S CA 0.783 59.020 58.200 0.062 0.000 0.949 182 S CB -0.454 62.763 63.200 0.029 0.000 0.766 182 S HN 0.371 nan 8.310 nan 0.000 0.517 183 F N 1.441 121.376 119.950 -0.025 0.000 2.695 183 F HA 0.433 4.960 4.527 0.000 0.000 0.303 183 F C 1.791 177.643 175.800 0.087 0.000 1.091 183 F CA 0.079 58.074 58.000 -0.009 0.000 1.300 183 F CB 0.387 39.358 39.000 -0.048 0.000 1.071 183 F HN 0.367 nan 8.300 nan 0.000 0.578 184 G N 1.035 110.010 108.800 0.293 0.000 2.149 184 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 184 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 184 G C -0.219 174.966 174.900 0.475 0.000 1.018 184 G CA 0.030 45.386 45.100 0.426 0.000 0.728 184 G HN 0.123 nan 8.290 nan 0.000 0.508 185 V N -0.359 119.738 119.914 0.305 0.000 2.481 185 V HA 0.790 4.910 4.120 -0.000 0.000 0.286 185 V C 1.309 177.399 176.094 -0.007 0.000 1.042 185 V CA 1.024 63.409 62.300 0.142 0.000 0.928 185 V CB 1.375 33.306 31.823 0.179 0.000 0.986 185 V HN 1.742 nan 8.190 nan 0.000 0.462 186 G N 3.200 111.843 108.800 -0.262 0.000 2.200 186 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.145 186 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.145 186 G C 0.289 174.699 174.900 -0.817 0.000 1.021 186 G CA 0.158 45.010 45.100 -0.413 0.000 0.720 186 G HN 0.749 nan 8.290 nan 0.000 0.494 187 D N 0.916 120.685 120.400 -1.052 0.000 2.234 187 D HA 0.267 4.907 4.640 -0.000 0.000 0.205 187 D C 2.253 178.305 176.300 -0.413 0.000 0.962 187 D CA 1.377 54.821 54.000 -0.928 0.000 0.855 187 D CB -0.657 39.717 40.800 -0.710 0.000 0.951 187 D HN 0.641 nan 8.370 nan 0.000 0.500 188 A N 0.304 122.895 122.820 -0.382 0.000 1.840 188 A HA 0.279 4.599 4.320 -0.000 0.000 0.214 188 A C 1.184 178.611 177.584 -0.260 0.000 1.198 188 A CA 1.406 53.213 52.037 -0.384 0.000 0.608 188 A CB -0.078 18.517 19.000 -0.676 0.000 0.839 188 A HN 0.245 nan 8.150 nan 0.000 0.443 189 V N -1.559 118.176 119.914 -0.299 0.000 3.234 189 V HA 0.346 4.466 4.120 -0.000 0.000 0.280 189 V C -2.050 173.926 176.094 -0.197 0.000 1.580 189 V CA -0.833 61.326 62.300 -0.235 0.000 1.032 189 V CB 1.918 33.602 31.823 -0.233 0.000 1.203 189 V HN 0.309 nan 8.190 nan 0.000 0.459 190 I N 4.507 124.970 120.570 -0.179 0.000 2.310 190 I HA 0.609 4.779 4.170 -0.000 0.000 0.287 190 I C 0.658 176.726 176.117 -0.081 0.000 1.073 190 I CA 0.018 61.236 61.300 -0.137 0.000 1.216 190 I CB 1.157 39.042 38.000 -0.191 0.000 1.415 190 I HN 0.728 nan 8.210 nan 0.000 0.480 191 G N 5.680 114.459 108.800 -0.035 0.000 2.487 191 G HA2 0.585 4.545 3.960 -0.000 0.000 0.314 191 G HA3 0.585 4.545 3.960 -0.000 0.000 0.314 191 G C -0.891 173.999 174.900 -0.017 0.000 1.267 191 G CA -0.340 44.758 45.100 -0.003 0.000 0.937 191 G HN 0.266 nan 8.290 nan 0.000 0.481 192 V N 2.697 122.593 119.914 -0.030 0.000 2.398 192 V HA 0.228 4.348 4.120 -0.000 0.000 0.286 192 V C -0.269 175.786 176.094 -0.066 0.000 1.026 192 V CA -1.160 61.121 62.300 -0.031 0.000 0.868 192 V CB 1.401 33.216 31.823 -0.013 0.000 0.982 192 V HN 0.724 nan 8.190 nan 0.000 0.443 193 N N 7.012 125.671 118.700 -0.070 0.000 2.401 193 N HA 0.314 5.054 4.740 -0.000 0.000 0.255 193 N C -2.541 172.952 175.510 -0.028 0.000 1.110 193 N CA -0.875 52.126 53.050 -0.082 0.000 0.949 193 N CB 0.800 39.242 38.487 -0.075 0.000 1.110 193 N HN 0.461 nan 8.380 nan 0.000 0.490 194 P HA 0.082 nan 4.420 nan 0.000 0.279 194 P C 0.414 177.718 177.300 0.007 0.000 1.252 194 P CA -0.468 62.631 63.100 -0.001 0.000 0.811 194 P CB 1.384 33.087 31.700 0.004 0.000 1.035 195 V N 0.602 120.522 119.914 0.011 0.000 2.302 195 V HA -0.048 4.072 4.120 -0.000 0.000 0.243 195 V C 1.369 177.470 176.094 0.012 0.000 1.036 195 V CA 2.234 64.542 62.300 0.013 0.000 1.020 195 V CB -1.293 30.538 31.823 0.014 0.000 0.657 195 V HN 0.729 nan 8.190 nan 0.000 0.453 196 T N -1.355 113.206 114.554 0.011 0.000 2.758 196 T HA 0.283 4.633 4.350 -0.000 0.000 0.285 196 T C -0.306 174.402 174.700 0.012 0.000 0.981 196 T CA -0.484 61.622 62.100 0.010 0.000 0.965 196 T CB 1.408 70.281 68.868 0.008 0.000 0.927 196 T HN 0.270 nan 8.240 nan 0.000 0.448 197 D N 4.266 124.674 120.400 0.013 0.000 2.619 197 D HA 0.094 4.734 4.640 -0.000 0.000 0.224 197 D C -0.612 175.695 176.300 0.012 0.000 1.133 197 D CA -0.137 53.875 54.000 0.019 0.000 1.017 197 D CB 0.060 40.875 40.800 0.024 0.000 1.077 197 D HN 0.807 nan 8.370 nan 0.000 0.503 198 D N -0.504 119.901 120.400 0.009 0.000 2.570 198 D HA 0.024 4.664 4.640 -0.000 0.000 0.244 198 D C 1.070 177.371 176.300 0.001 0.000 1.178 198 D CA -0.677 53.325 54.000 0.003 0.000 0.881 198 D CB 1.493 42.294 40.800 0.000 0.000 1.453 198 D HN -0.035 nan 8.370 nan 0.000 0.447 199 V N 0.386 120.296 119.914 -0.006 0.000 2.307 199 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 199 V C 2.451 178.537 176.094 -0.013 0.000 1.045 199 V CA 2.008 64.300 62.300 -0.013 0.000 1.024 199 V CB -0.746 31.065 31.823 -0.021 0.000 0.651 199 V HN 0.729 nan 8.190 nan 0.000 0.449 200 E N 0.574 120.769 120.200 -0.009 0.000 2.110 200 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 200 E C 2.081 178.680 176.600 -0.002 0.000 0.988 200 E CA 1.641 58.036 56.400 -0.007 0.000 0.804 200 E CB -0.088 29.609 29.700 -0.004 0.000 0.745 200 E HN 0.650 nan 8.360 nan 0.000 0.458 201 N N -0.125 118.576 118.700 0.001 0.000 2.171 201 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 201 N C 1.830 177.344 175.510 0.006 0.000 1.021 201 N CA 0.690 53.743 53.050 0.005 0.000 0.854 201 N CB -0.106 38.385 38.487 0.007 0.000 0.994 201 N HN 0.051 nan 8.380 nan 0.000 0.426 202 L N 0.278 121.504 121.223 0.004 0.000 2.042 202 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 202 L C 2.305 179.176 176.870 0.001 0.000 1.076 202 L CA 1.395 56.238 54.840 0.005 0.000 0.749 202 L CB -0.804 41.256 42.059 0.002 0.000 0.893 202 L HN 0.144 nan 8.230 nan 0.000 0.432 203 S N -1.278 114.417 115.700 -0.008 0.000 2.402 203 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 203 S C 2.077 176.677 174.600 -0.000 0.000 1.021 203 S CA 1.124 59.315 58.200 -0.014 0.000 0.974 203 S CB -0.235 62.952 63.200 -0.023 0.000 0.800 203 S HN 0.376 nan 8.310 nan 0.000 0.484 204 R N 0.963 121.467 120.500 0.006 0.000 2.073 204 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 204 R C 1.993 178.307 176.300 0.022 0.000 1.120 204 R CA 1.097 57.205 56.100 0.014 0.000 0.967 204 R CB -0.347 29.961 30.300 0.013 0.000 0.862 204 R HN 0.222 nan 8.270 nan 0.000 0.436 205 V N 1.371 121.298 119.914 0.021 0.000 2.343 205 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 205 V C 2.348 178.468 176.094 0.043 0.000 1.051 205 V CA 1.628 63.943 62.300 0.025 0.000 1.036 205 V CB -0.393 31.441 31.823 0.018 0.000 0.654 205 V HN 0.334 nan 8.190 nan 0.000 0.451 206 L N -0.290 120.967 121.223 0.056 0.000 2.046 206 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 206 L C 2.378 179.343 176.870 0.157 0.000 1.077 206 L CA 1.537 56.448 54.840 0.118 0.000 0.747 206 L CB -0.668 41.429 42.059 0.064 0.000 0.896 206 L HN 0.334 nan 8.230 nan 0.000 0.432 207 D N -0.757 119.689 120.400 0.077 0.000 2.178 207 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 207 D C 2.137 178.483 176.300 0.077 0.000 0.980 207 D CA 1.538 55.581 54.000 0.073 0.000 0.842 207 D CB -0.038 40.782 40.800 0.033 0.000 0.948 207 D HN 0.293 nan 8.370 nan 0.000 0.472 208 T N 0.910 115.496 114.554 0.052 0.000 2.737 208 T HA -0.041 4.309 4.350 -0.000 0.000 0.265 208 T C 2.271 176.964 174.700 -0.011 0.000 1.038 208 T CA 0.494 62.608 62.100 0.024 0.000 1.144 208 T CB -0.122 68.754 68.868 0.013 0.000 0.866 208 T HN 0.140 nan 8.240 nan 0.000 0.434 209 I N -0.230 120.334 120.570 -0.010 0.000 2.163 209 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 209 I C 2.038 178.050 176.117 -0.174 0.000 1.085 209 I CA 1.631 62.865 61.300 -0.109 0.000 1.347 209 I CB -0.362 37.575 38.000 -0.104 0.000 1.044 209 I HN 0.232 nan 8.210 nan 0.000 0.408 210 Y N 0.752 121.017 120.300 -0.058 0.000 2.516 210 Y HA 0.000 4.550 4.550 -0.000 0.000 0.291 210 Y C 2.447 178.322 175.900 -0.042 0.000 1.131 210 Y CA 0.849 58.917 58.100 -0.053 0.000 1.281 210 Y CB -0.623 37.811 38.460 -0.044 0.000 1.013 210 Y HN 0.101 nan 8.280 nan 0.000 0.554 211 G N -0.524 108.321 108.800 0.075 0.000 2.418 211 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 211 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 211 G C 1.710 176.618 174.900 0.013 0.000 1.158 211 G CA 1.361 46.484 45.100 0.038 0.000 0.771 211 G HN 0.261 nan 8.290 nan 0.000 0.545 212 V N 1.187 121.089 119.914 -0.020 0.000 2.323 212 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 212 V C 2.775 178.897 176.094 0.047 0.000 1.041 212 V CA 1.340 63.655 62.300 0.024 0.000 1.025 212 V CB -0.445 31.268 31.823 -0.184 0.000 0.656 212 V HN 0.369 nan 8.190 nan 0.000 0.451 213 I N 0.511 121.016 120.570 -0.108 0.000 2.151 213 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 213 I C 2.252 178.346 176.117 -0.038 0.000 1.080 213 I CA 1.822 63.029 61.300 -0.155 0.000 1.339 213 I CB -0.506 37.288 38.000 -0.344 0.000 1.039 213 I HN 0.341 nan 8.210 nan 0.000 0.409 214 D N 0.531 120.933 120.400 0.003 0.000 2.149 214 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 214 D C 2.088 178.370 176.300 -0.030 0.000 0.972 214 D CA 0.955 54.964 54.000 0.014 0.000 0.835 214 D CB -0.215 40.607 40.800 0.036 0.000 0.966 214 D HN 0.240 nan 8.370 nan 0.000 0.476 215 K N -0.279 120.063 120.400 -0.096 0.000 2.057 215 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 215 K C 0.890 177.255 176.600 -0.393 0.000 1.049 215 K CA 0.950 57.051 56.287 -0.311 0.000 0.931 215 K CB -0.031 32.165 32.500 -0.507 0.000 0.714 215 K HN 0.092 nan 8.250 nan 0.000 0.440 216 F N 0.991 121.018 119.950 0.128 0.000 2.639 216 F HA 0.246 4.773 4.527 -0.000 0.000 0.302 216 F C 0.007 175.985 175.800 0.297 0.000 1.097 216 F CA -0.480 57.687 58.000 0.278 0.000 1.294 216 F CB 0.154 39.447 39.000 0.489 0.000 1.027 216 F HN -0.006 nan 8.300 nan 0.000 0.550 217 N N 1.850 120.676 118.700 0.209 0.000 2.705 217 N HA -0.218 4.522 4.740 -0.000 0.000 0.255 217 N C -0.397 175.096 175.510 -0.027 0.000 1.008 217 N CA 0.569 53.685 53.050 0.110 0.000 0.742 217 N CB -1.260 37.315 38.487 0.146 0.000 0.906 217 N HN 0.334 nan 8.380 nan 0.000 0.541 218 I N 1.315 121.732 120.570 -0.255 0.000 2.452 218 I HA 0.120 4.290 4.170 -0.000 0.000 0.287 218 I C -1.566 174.322 176.117 -0.381 0.000 1.079 218 I CA -1.521 59.335 61.300 -0.739 0.000 1.387 218 I CB 0.564 38.046 38.000 -0.863 0.000 1.404 218 I HN -0.135 nan 8.210 nan 0.000 0.522 219 P HA 0.129 nan 4.420 nan 0.000 0.268 219 P C -0.274 176.991 177.300 -0.059 0.000 1.485 219 P CA 0.266 63.313 63.100 -0.089 0.000 1.102 219 P CB 0.715 32.427 31.700 0.020 0.000 1.501 220 T N 1.471 115.937 114.554 -0.148 0.000 2.661 220 T HA 0.411 4.761 4.350 -0.000 0.000 0.305 220 T C -2.078 172.489 174.700 -0.223 0.000 1.535 220 T CA -0.444 61.536 62.100 -0.200 0.000 1.000 220 T CB 1.321 70.039 68.868 -0.250 0.000 1.811 220 T HN 0.367 nan 8.240 nan 0.000 0.471 221 Q N 0.638 120.289 119.800 -0.249 0.000 2.379 221 Q HA 0.627 4.967 4.340 -0.000 0.000 0.278 221 Q C -0.361 175.510 176.000 -0.216 0.000 1.068 221 Q CA -1.047 54.642 55.803 -0.190 0.000 0.816 221 Q CB 1.559 30.196 28.738 -0.168 0.000 1.387 221 Q HN 0.905 nan 8.270 nan 0.000 0.413 222 G N -0.289 108.419 108.800 -0.153 0.000 2.462 222 G HA2 0.617 4.577 3.960 -0.000 0.000 0.319 222 G HA3 0.617 4.577 3.960 -0.000 0.000 0.319 222 G C -1.119 173.832 174.900 0.085 0.000 1.171 222 G CA -0.543 44.506 45.100 -0.084 0.000 0.920 222 G HN 0.755 nan 8.290 nan 0.000 0.499 223 C N 0.025 119.364 119.300 0.064 0.000 3.113 223 C HA 0.555 5.015 4.460 -0.000 0.000 0.376 223 C C -1.080 173.940 174.990 0.049 0.000 1.077 223 C CA -0.472 58.599 59.018 0.088 0.000 1.253 223 C CB 0.758 28.578 27.740 0.134 0.000 1.637 223 C HN 0.617 nan 8.230 nan 0.000 0.535 224 V N 6.573 126.515 119.914 0.047 0.000 2.378 224 V HA 0.396 4.516 4.120 -0.000 0.000 0.288 224 V C -0.013 176.079 176.094 -0.004 0.000 1.016 224 V CA -0.285 62.021 62.300 0.010 0.000 0.840 224 V CB 1.534 33.370 31.823 0.021 0.000 0.994 224 V HN 0.715 nan 8.190 nan 0.000 0.431 225 L N 5.282 126.441 121.223 -0.107 0.000 2.955 225 L HA 0.430 4.770 4.340 -0.000 0.000 0.238 225 L C 1.081 177.936 176.870 -0.025 0.000 1.359 225 L CA 0.634 55.327 54.840 -0.244 0.000 1.214 225 L CB -0.393 41.202 42.059 -0.772 0.000 1.600 225 L HN 0.769 nan 8.230 nan 0.000 0.442 226 A N -1.527 121.335 122.820 0.071 0.000 2.275 226 A HA 0.221 4.541 4.320 -0.000 0.000 0.282 226 A C 0.281 177.963 177.584 0.165 0.000 1.275 226 A CA -0.348 51.750 52.037 0.101 0.000 0.842 226 A CB 0.036 19.082 19.000 0.076 0.000 1.280 226 A HN 0.388 nan 8.150 nan 0.000 0.508 227 H N -0.577 118.524 119.070 0.053 0.000 2.815 227 H HA 0.070 4.626 4.556 0.000 0.000 0.350 227 H C 1.433 176.776 175.328 0.025 0.000 1.080 227 H CA 0.784 56.850 56.048 0.030 0.000 1.433 227 H CB 1.440 31.208 29.762 0.010 0.000 1.432 227 H HN 0.327 nan 8.280 nan 0.000 0.592 228 V N 4.123 123.857 119.914 -0.300 0.000 2.380 228 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 228 V C 2.350 178.450 176.094 0.010 0.000 1.063 228 V CA 2.833 65.049 62.300 -0.141 0.000 1.055 228 V CB -0.627 31.058 31.823 -0.230 0.000 0.657 228 V HN 1.018 nan 8.190 nan 0.000 0.455 229 T N -3.020 111.627 114.554 0.155 0.000 2.788 229 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 229 T C 1.764 176.512 174.700 0.079 0.000 1.044 229 T CA 2.089 64.273 62.100 0.140 0.000 1.139 229 T CB -0.978 68.005 68.868 0.192 0.000 0.867 229 T HN 0.547 nan 8.240 nan 0.000 0.454 230 T N 1.919 116.532 114.554 0.099 0.000 2.857 230 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 230 T C 2.172 176.883 174.700 0.019 0.000 1.048 230 T CA 1.114 63.243 62.100 0.048 0.000 1.139 230 T CB -0.321 68.582 68.868 0.059 0.000 0.874 230 T HN 0.504 nan 8.240 nan 0.000 0.455 231 Q N 0.507 120.323 119.800 0.026 0.000 2.050 231 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 231 Q C 2.353 178.332 176.000 -0.035 0.000 0.980 231 Q CA 1.273 57.077 55.803 0.003 0.000 0.840 231 Q CB -0.445 28.306 28.738 0.022 0.000 0.898 231 Q HN 0.484 nan 8.270 nan 0.000 0.424 232 I N 0.785 121.337 120.570 -0.030 0.000 2.163 232 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 232 I C 2.397 178.451 176.117 -0.105 0.000 1.085 232 I CA 1.029 62.294 61.300 -0.059 0.000 1.347 232 I CB -0.181 37.805 38.000 -0.023 0.000 1.044 232 I HN 0.192 nan 8.210 nan 0.000 0.408 233 E N 0.740 120.899 120.200 -0.069 0.000 2.051 233 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 233 E C 2.328 178.861 176.600 -0.112 0.000 0.991 233 E CA 1.490 57.842 56.400 -0.080 0.000 0.799 233 E CB -0.365 29.311 29.700 -0.041 0.000 0.748 233 E HN 0.492 nan 8.360 nan 0.000 0.449 234 A N 1.173 123.938 122.820 -0.091 0.000 1.883 234 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 234 A C 2.379 179.865 177.584 -0.164 0.000 1.186 234 A CA 1.505 53.483 52.037 -0.098 0.000 0.624 234 A CB -0.756 18.206 19.000 -0.063 0.000 0.822 234 A HN 0.215 nan 8.150 nan 0.000 0.444 235 I N -1.108 119.337 120.570 -0.210 0.000 2.179 235 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 235 I C 2.753 178.484 176.117 -0.644 0.000 1.088 235 I CA 1.362 62.460 61.300 -0.335 0.000 1.357 235 I CB -0.339 37.495 38.000 -0.277 0.000 1.051 235 I HN 0.278 nan 8.210 nan 0.000 0.409 236 R N 0.482 120.596 120.500 -0.644 0.000 2.152 236 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 236 R C 1.877 177.956 176.300 -0.367 0.000 1.117 236 R CA 0.891 56.556 56.100 -0.725 0.000 0.981 236 R CB -0.160 29.930 30.300 -0.350 0.000 0.870 236 R HN 0.362 nan 8.270 nan 0.000 0.451 237 R N -0.509 119.848 120.500 -0.238 0.000 2.334 237 R HA 0.092 4.432 4.340 -0.000 0.000 0.220 237 R C 0.759 176.996 176.300 -0.106 0.000 0.917 237 R CA 0.678 56.702 56.100 -0.126 0.000 1.073 237 R CB 0.958 31.207 30.300 -0.086 0.000 1.056 237 R HN 0.425 nan 8.270 nan 0.000 0.506 238 G N 0.181 108.891 108.800 -0.150 0.000 2.192 238 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.193 238 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.193 238 G C 0.216 175.056 174.900 -0.099 0.000 0.999 238 G CA -0.176 44.870 45.100 -0.090 0.000 0.659 238 G HN 0.448 nan 8.290 nan 0.000 0.503 239 A N 1.566 124.310 122.820 -0.125 0.000 2.462 239 A HA 0.622 4.942 4.320 -0.000 0.000 0.243 239 A C -1.407 176.075 177.584 -0.170 0.000 1.076 239 A CA -0.515 51.448 52.037 -0.124 0.000 0.773 239 A CB 0.042 18.981 19.000 -0.101 0.000 1.010 239 A HN 0.229 nan 8.150 nan 0.000 0.493 240 P HA 0.154 nan 4.420 nan 0.000 0.266 240 P C 0.133 177.211 177.300 -0.371 0.000 1.215 240 P CA 0.484 63.328 63.100 -0.426 0.000 0.763 240 P CB 0.601 31.789 31.700 -0.853 0.000 0.806 241 G N 2.342 111.003 108.800 -0.232 0.000 2.322 241 G HA2 0.501 4.461 3.960 -0.000 0.000 0.309 241 G HA3 0.501 4.461 3.960 -0.000 0.000 0.309 241 G C 0.587 175.461 174.900 -0.044 0.000 1.121 241 G CA -0.393 44.648 45.100 -0.097 0.000 0.886 241 G HN 0.531 nan 8.290 nan 0.000 0.447 242 G N 1.452 110.285 108.800 0.055 0.000 2.583 242 G HA2 0.377 4.337 3.960 -0.000 0.000 0.214 242 G HA3 0.377 4.337 3.960 -0.000 0.000 0.214 242 G C 0.185 175.103 174.900 0.030 0.000 2.072 242 G CA -0.509 44.652 45.100 0.101 0.000 0.745 242 G HN 0.564 nan 8.290 nan 0.000 0.762 243 L N 1.330 122.582 121.223 0.049 0.000 2.325 243 L HA 0.523 4.863 4.340 -0.000 0.000 0.279 243 L C -0.640 176.291 176.870 0.102 0.000 1.054 243 L CA -0.495 54.384 54.840 0.065 0.000 0.804 243 L CB 1.919 44.043 42.059 0.108 0.000 1.200 243 L HN 0.200 nan 8.230 nan 0.000 0.436 244 I N 2.404 123.019 120.570 0.075 0.000 2.336 244 I HA 0.282 4.452 4.170 -0.000 0.000 0.292 244 I C -0.542 175.618 176.117 0.072 0.000 0.991 244 I CA -0.309 61.029 61.300 0.063 0.000 1.227 244 I CB 1.474 39.481 38.000 0.012 0.000 1.366 244 I HN 0.384 nan 8.210 nan 0.000 0.466 245 F N 6.276 126.186 119.950 -0.067 0.000 2.458 245 F HA 0.620 5.147 4.527 -0.000 0.000 0.330 245 F C -0.337 175.386 175.800 -0.128 0.000 1.082 245 F CA -0.276 57.632 58.000 -0.153 0.000 0.995 245 F CB 1.405 40.271 39.000 -0.224 0.000 1.170 245 F HN 0.377 nan 8.300 nan 0.000 0.478 246 Q N 2.983 122.042 119.800 -1.236 0.000 2.295 246 Q HA 0.334 4.674 4.340 -0.000 0.000 0.268 246 Q C -1.475 173.810 176.000 -1.192 0.000 1.010 246 Q CA -0.616 54.550 55.803 -1.061 0.000 0.856 246 Q CB 2.275 30.782 28.738 -0.386 0.000 1.349 246 Q HN 0.669 nan 8.270 nan 0.000 0.412 247 S N 3.808 118.950 115.700 -0.931 0.000 2.531 247 S HA 0.583 5.053 4.470 -0.000 0.000 0.279 247 S C 0.281 174.795 174.600 -0.144 0.000 1.305 247 S CA -0.381 57.559 58.200 -0.433 0.000 1.058 247 S CB -0.278 62.668 63.200 -0.424 0.000 0.899 247 S HN 0.525 nan 8.310 nan 0.000 0.493 248 I N -0.427 120.126 120.570 -0.030 0.000 2.910 248 I HA 0.844 5.014 4.170 -0.000 0.000 0.310 248 I C -0.427 175.758 176.117 0.113 0.000 1.043 248 I CA -0.893 60.398 61.300 -0.016 0.000 1.053 248 I CB 1.721 39.534 38.000 -0.312 0.000 1.242 248 I HN 0.546 nan 8.210 nan 0.000 0.452 249 C N 1.855 121.116 119.300 -0.064 0.000 2.994 249 C HA 0.726 5.186 4.460 -0.000 0.000 0.304 249 C C 1.325 176.211 174.990 -0.173 0.000 1.273 249 C CA -0.092 58.825 59.018 -0.168 0.000 1.537 249 C CB 1.665 29.127 27.740 -0.464 0.000 2.001 249 C HN 1.061 nan 8.230 nan 0.000 0.471 250 G N 1.491 110.196 108.800 -0.158 0.000 3.026 250 G HA2 0.340 4.300 3.960 -0.000 0.000 0.208 250 G HA3 0.340 4.300 3.960 -0.000 0.000 0.208 250 G C 0.266 175.096 174.900 -0.116 0.000 1.169 250 G CA 0.880 45.897 45.100 -0.139 0.000 0.788 250 G HN 1.203 nan 8.290 nan 0.000 0.533 251 S N -1.994 113.634 115.700 -0.119 0.000 2.618 251 S HA 0.425 4.895 4.470 -0.000 0.000 0.277 251 S C 0.494 175.033 174.600 -0.101 0.000 1.138 251 S CA -0.464 57.685 58.200 -0.084 0.000 0.844 251 S CB 2.267 65.485 63.200 0.029 0.000 1.127 251 S HN 0.063 nan 8.310 nan 0.000 0.474 252 E N 0.908 121.055 120.200 -0.089 0.000 2.077 252 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 252 E C 1.500 178.066 176.600 -0.056 0.000 0.989 252 E CA 1.033 57.383 56.400 -0.083 0.000 0.800 252 E CB -0.062 29.585 29.700 -0.088 0.000 0.746 252 E HN 0.550 nan 8.360 nan 0.000 0.452 253 K N -0.204 120.201 120.400 0.009 0.000 2.063 253 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 253 K C 2.130 178.670 176.600 -0.101 0.000 1.048 253 K CA 1.288 57.583 56.287 0.014 0.000 0.928 253 K CB -0.566 32.018 32.500 0.141 0.000 0.713 253 K HN 0.277 nan 8.250 nan 0.000 0.442 254 G N 1.284 109.990 108.800 -0.156 0.000 2.418 254 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 254 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 254 G C 1.654 176.244 174.900 -0.517 0.000 1.158 254 G CA 0.397 45.277 45.100 -0.367 0.000 0.771 254 G HN 0.152 nan 8.290 nan 0.000 0.545 255 L N -0.184 120.858 121.223 -0.301 0.000 2.093 255 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 255 L C 2.933 179.745 176.870 -0.097 0.000 1.085 255 L CA 1.146 55.867 54.840 -0.198 0.000 0.755 255 L CB -0.302 41.685 42.059 -0.121 0.000 0.904 255 L HN 0.180 nan 8.230 nan 0.000 0.435 256 K N -0.003 120.344 120.400 -0.089 0.000 2.097 256 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 256 K C 2.006 178.597 176.600 -0.015 0.000 1.049 256 K CA 1.433 57.700 56.287 -0.033 0.000 0.933 256 K CB -0.037 32.444 32.500 -0.031 0.000 0.717 256 K HN 0.153 nan 8.250 nan 0.000 0.442 257 E N 0.351 120.502 120.200 -0.082 0.000 2.085 257 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 257 E C 1.275 177.984 176.600 0.182 0.000 0.994 257 E CA 1.336 57.719 56.400 -0.028 0.000 0.801 257 E CB -0.007 29.596 29.700 -0.162 0.000 0.743 257 E HN 0.163 nan 8.360 nan 0.000 0.453 258 F N -0.327 119.634 119.950 0.019 0.000 2.710 258 F HA 0.323 4.850 4.527 -0.000 0.000 0.298 258 F C 1.648 177.525 175.800 0.130 0.000 1.137 258 F CA 0.711 58.743 58.000 0.054 0.000 1.444 258 F CB -0.307 38.701 39.000 0.013 0.000 1.111 258 F HN 0.186 nan 8.300 nan 0.000 0.580 259 G N 1.159 110.105 108.800 0.244 0.000 2.248 259 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.263 259 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.263 259 G C -0.225 174.824 174.900 0.248 0.000 1.082 259 G CA 0.161 45.365 45.100 0.174 0.000 0.863 259 G HN 0.475 nan 8.290 nan 0.000 0.495 260 V N -3.440 116.574 119.914 0.166 0.000 2.680 260 V HA 0.902 5.022 4.120 -0.000 0.000 0.309 260 V C -0.068 176.039 176.094 0.021 0.000 1.052 260 V CA -1.503 60.852 62.300 0.092 0.000 0.908 260 V CB 2.055 33.883 31.823 0.009 0.000 1.001 260 V HN 0.317 nan 8.190 nan 0.000 0.431 261 E N 2.519 122.724 120.200 0.010 0.000 2.221 261 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 261 E C 0.410 176.995 176.600 -0.025 0.000 0.933 261 E CA -0.862 55.533 56.400 -0.008 0.000 0.809 261 E CB 2.649 32.353 29.700 0.006 0.000 1.190 261 E HN 0.650 nan 8.360 nan 0.000 0.406 262 L N 1.146 122.361 121.223 -0.014 0.000 2.265 262 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 262 L C 2.164 179.070 176.870 0.059 0.000 1.117 262 L CA 0.981 55.836 54.840 0.026 0.000 0.782 262 L CB -0.419 41.683 42.059 0.071 0.000 0.914 262 L HN 0.650 nan 8.230 nan 0.000 0.441 263 A N -0.162 122.682 122.820 0.041 0.000 2.015 263 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 263 A C 2.291 179.896 177.584 0.035 0.000 1.163 263 A CA 1.328 53.397 52.037 0.052 0.000 0.646 263 A CB -0.345 18.678 19.000 0.037 0.000 0.806 263 A HN 0.353 nan 8.150 nan 0.000 0.448 264 M N -0.643 118.959 119.600 0.003 0.000 2.175 264 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 264 M C 1.868 178.140 176.300 -0.047 0.000 1.063 264 M CA 1.156 56.448 55.300 -0.012 0.000 1.119 264 M CB -0.383 32.206 32.600 -0.018 0.000 1.377 264 M HN 0.353 nan 8.290 nan 0.000 0.415 265 L N -0.493 120.658 121.223 -0.120 0.000 2.156 265 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 265 L C 1.875 178.707 176.870 -0.063 0.000 1.095 265 L CA 0.661 55.352 54.840 -0.250 0.000 0.770 265 L CB -0.791 40.799 42.059 -0.782 0.000 0.914 265 L HN 0.273 nan 8.230 nan 0.000 0.439 266 D N 0.175 120.636 120.400 0.102 0.000 2.117 266 D HA -0.213 4.427 4.640 -0.000 0.000 0.198 266 D C 2.006 178.374 176.300 0.113 0.000 0.982 266 D CA 1.157 55.277 54.000 0.200 0.000 0.828 266 D CB 0.070 40.989 40.800 0.198 0.000 0.967 266 D HN 0.390 nan 8.370 nan 0.000 0.464 267 E N 0.632 120.874 120.200 0.070 0.000 2.077 267 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 267 E C 2.031 178.665 176.600 0.056 0.000 0.989 267 E CA 0.885 57.320 56.400 0.059 0.000 0.800 267 E CB 0.065 29.790 29.700 0.043 0.000 0.746 267 E HN 0.134 nan 8.360 nan 0.000 0.452 268 A N 1.168 124.009 122.820 0.035 0.000 1.908 268 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 268 A C 2.144 179.760 177.584 0.052 0.000 1.181 268 A CA 1.742 53.796 52.037 0.028 0.000 0.627 268 A CB -0.531 18.464 19.000 -0.008 0.000 0.818 268 A HN 0.142 nan 8.150 nan 0.000 0.445 269 R N -0.234 120.311 120.500 0.075 0.000 2.083 269 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 269 R C 2.272 178.618 176.300 0.076 0.000 1.137 269 R CA 1.942 58.097 56.100 0.091 0.000 0.951 269 R CB -0.595 29.790 30.300 0.142 0.000 0.851 269 R HN 0.452 nan 8.270 nan 0.000 0.434 270 A N -0.620 122.248 122.820 0.079 0.000 1.898 270 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 270 A C 2.299 179.940 177.584 0.095 0.000 1.181 270 A CA 1.489 53.569 52.037 0.071 0.000 0.620 270 A CB -0.540 18.502 19.000 0.069 0.000 0.819 270 A HN 0.201 nan 8.150 nan 0.000 0.442 271 V N -0.003 119.988 119.914 0.129 0.000 2.343 271 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 271 V C 2.811 179.046 176.094 0.235 0.000 1.051 271 V CA 1.929 64.367 62.300 0.230 0.000 1.036 271 V CB -1.350 30.561 31.823 0.146 0.000 0.654 271 V HN 0.612 nan 8.190 nan 0.000 0.451 272 G N -0.345 108.528 108.800 0.123 0.000 2.440 272 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 272 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 272 G C 1.746 176.682 174.900 0.060 0.000 1.154 272 G CA 1.058 46.209 45.100 0.085 0.000 0.767 272 G HN 0.617 nan 8.290 nan 0.000 0.552 273 A N 0.250 123.095 122.820 0.040 0.000 1.969 273 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 273 A C 2.139 179.694 177.584 -0.049 0.000 1.169 273 A CA 1.956 53.992 52.037 -0.002 0.000 0.635 273 A CB -0.287 18.713 19.000 -0.001 0.000 0.810 273 A HN 0.491 nan 8.150 nan 0.000 0.445 274 E N -2.188 117.968 120.200 -0.074 0.000 2.190 274 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 274 E C 1.036 177.375 176.600 -0.435 0.000 0.978 274 E CA 0.708 56.925 56.400 -0.304 0.000 0.839 274 E CB 0.048 29.471 29.700 -0.461 0.000 0.787 274 E HN 0.626 nan 8.360 nan 0.000 0.473 275 F N 0.007 119.938 119.950 -0.032 0.000 2.667 275 F HA 0.238 4.765 4.527 -0.000 0.000 0.288 275 F C 0.445 176.209 175.800 -0.059 0.000 1.086 275 F CA -0.613 57.360 58.000 -0.044 0.000 1.297 275 F CB 0.132 39.105 39.000 -0.044 0.000 1.059 275 F HN -0.220 nan 8.300 nan 0.000 0.624 276 N N 1.331 120.105 118.700 0.122 0.000 2.518 276 N HA 0.137 4.877 4.740 -0.000 0.000 0.266 276 N C 0.001 175.510 175.510 -0.002 0.000 1.196 276 N CA 0.027 53.102 53.050 0.042 0.000 0.947 276 N CB 0.353 38.856 38.487 0.026 0.000 1.098 276 N HN 0.039 nan 8.380 nan 0.000 0.450 277 R N 1.969 122.456 120.500 -0.021 0.000 4.138 277 R HA 0.263 4.603 4.340 -0.000 0.000 0.206 277 R C -0.504 175.784 176.300 -0.019 0.000 1.667 277 R CA -0.032 56.058 56.100 -0.017 0.000 1.481 277 R CB -0.239 30.052 30.300 -0.014 0.000 1.388 277 R HN 0.373 nan 8.270 nan 0.000 0.776 278 I N 0.836 121.380 120.570 -0.043 0.000 2.447 278 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 278 I C 0.984 177.056 176.117 -0.074 0.000 1.023 278 I CA -0.482 60.767 61.300 -0.084 0.000 1.083 278 I CB 1.566 39.500 38.000 -0.110 0.000 1.245 278 I HN 0.317 nan 8.210 nan 0.000 0.434 279 A N 5.295 128.067 122.820 -0.081 0.000 1.897 279 A HA 0.233 4.553 4.320 -0.000 0.000 0.215 279 A C 1.337 178.887 177.584 -0.057 0.000 1.181 279 A CA 1.231 53.234 52.037 -0.058 0.000 0.620 279 A CB -0.417 18.554 19.000 -0.048 0.000 0.821 279 A HN 0.742 nan 8.150 nan 0.000 0.443 280 G N -1.508 107.243 108.800 -0.082 0.000 2.508 280 G HA2 0.400 4.360 3.960 -0.000 0.000 0.278 280 G HA3 0.400 4.360 3.960 -0.000 0.000 0.278 280 G C 0.222 175.090 174.900 -0.054 0.000 1.389 280 G CA -0.180 44.883 45.100 -0.062 0.000 1.050 280 G HN 0.140 nan 8.290 nan 0.000 0.522 281 E N -0.485 119.699 120.200 -0.026 0.000 2.481 281 E HA 0.070 4.420 4.350 -0.000 0.000 0.198 281 E C -0.175 176.428 176.600 0.004 0.000 1.027 281 E CA -0.009 56.386 56.400 -0.010 0.000 0.900 281 E CB 0.205 29.908 29.700 0.005 0.000 0.993 281 E HN 0.433 nan 8.360 nan 0.000 0.482 282 N N -0.137 118.562 118.700 -0.001 0.000 2.342 282 N HA 0.177 4.917 4.740 -0.000 0.000 0.293 282 N C 0.149 175.645 175.510 -0.023 0.000 1.026 282 N CA -0.408 52.669 53.050 0.046 0.000 0.857 282 N CB 1.606 40.200 38.487 0.178 0.000 1.256 282 N HN 0.033 nan 8.380 nan 0.000 0.484 283 C N -0.077 119.227 119.300 0.007 0.000 4.154 283 C HA 0.406 4.866 4.460 -0.000 0.000 0.359 283 C C 0.011 175.000 174.990 -0.001 0.000 1.702 283 C CA -0.612 58.388 59.018 -0.030 0.000 1.900 283 C CB -1.036 26.682 27.740 -0.037 0.000 3.051 283 C HN 0.522 nan 8.230 nan 0.000 0.670 284 L N 1.576 122.783 121.223 -0.026 0.000 2.421 284 L HA 0.503 4.843 4.340 -0.000 0.000 0.263 284 L C -0.493 176.274 176.870 -0.171 0.000 1.122 284 L CA -0.295 54.438 54.840 -0.178 0.000 0.804 284 L CB 0.833 42.682 42.059 -0.350 0.000 1.150 284 L HN 0.297 nan 8.230 nan 0.000 0.457 285 Y N 2.330 122.343 120.300 -0.478 0.000 2.332 285 Y HA 0.500 5.051 4.550 0.000 0.000 0.325 285 Y C -1.484 174.210 175.900 -0.342 0.000 1.054 285 Y CA -1.815 56.131 58.100 -0.256 0.000 1.119 285 Y CB 0.967 39.465 38.460 0.062 0.000 1.168 285 Y HN 0.220 nan 8.280 nan 0.000 0.439 286 F N 3.263 123.361 119.950 0.247 0.000 2.507 286 F HA 0.646 5.173 4.527 0.000 0.000 0.327 286 F C 0.083 175.928 175.800 0.076 0.000 1.068 286 F CA -1.077 56.878 58.000 -0.074 0.000 0.965 286 F CB 1.765 40.757 39.000 -0.014 0.000 1.192 286 F HN 0.370 nan 8.300 nan 0.000 0.476 287 E N 0.147 120.467 120.200 0.201 0.000 2.256 287 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 287 E C -0.704 175.981 176.600 0.141 0.000 0.892 287 E CA -0.653 55.882 56.400 0.226 0.000 0.775 287 E CB 2.628 32.455 29.700 0.212 0.000 1.207 287 E HN 0.767 nan 8.360 nan 0.000 0.420 288 T N -1.404 113.245 114.554 0.158 0.000 2.645 288 T HA 0.908 5.258 4.350 -0.000 0.000 0.273 288 T C -0.009 174.757 174.700 0.110 0.000 0.960 288 T CA -0.580 61.602 62.100 0.137 0.000 1.051 288 T CB 1.958 70.953 68.868 0.212 0.000 1.366 288 T HN 0.674 nan 8.240 nan 0.000 0.536 289 G N 0.028 108.885 108.800 0.095 0.000 2.322 289 G HA2 0.336 4.295 3.960 -0.000 0.000 0.289 289 G HA3 0.336 4.295 3.960 -0.000 0.000 0.289 289 G C -1.523 173.409 174.900 0.053 0.000 1.687 289 G CA -1.047 44.111 45.100 0.097 0.000 0.944 289 G HN 0.835 nan 8.290 nan 0.000 0.718 290 Q N -0.099 119.736 119.800 0.059 0.000 2.337 290 Q HA 0.431 4.771 4.340 -0.000 0.000 0.270 290 Q C 1.371 177.336 176.000 -0.058 0.000 1.002 290 Q CA 1.443 57.252 55.803 0.010 0.000 0.888 290 Q CB 1.196 29.967 28.738 0.055 0.000 1.222 290 Q HN 2.081 nan 8.270 nan 0.000 0.400 291 G N 0.855 109.523 108.800 -0.220 0.000 2.278 291 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.210 291 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.210 291 G C 1.031 175.534 174.900 -0.661 0.000 1.000 291 G CA 0.352 45.032 45.100 -0.700 0.000 0.635 291 G HN 0.688 nan 8.290 nan 0.000 0.495 292 S N 0.992 116.541 115.700 -0.252 0.000 2.382 292 S HA 0.290 4.760 4.470 -0.000 0.000 0.228 292 S C 2.576 177.098 174.600 -0.129 0.000 1.027 292 S CA 1.889 60.044 58.200 -0.077 0.000 0.991 292 S CB -0.454 62.826 63.200 0.132 0.000 0.823 292 S HN 1.745 nan 8.310 nan 0.000 0.469 293 A N 1.720 124.440 122.820 -0.167 0.000 1.898 293 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 293 A C 2.219 179.710 177.584 -0.156 0.000 1.181 293 A CA 1.418 53.357 52.037 -0.163 0.000 0.620 293 A CB -0.858 18.069 19.000 -0.122 0.000 0.819 293 A HN 0.525 nan 8.150 nan 0.000 0.442 294 L N -0.022 121.089 121.223 -0.186 0.000 2.141 294 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 294 L C 2.521 179.346 176.870 -0.075 0.000 1.094 294 L CA 2.405 57.164 54.840 -0.135 0.000 0.763 294 L CB -0.654 41.324 42.059 -0.136 0.000 0.908 294 L HN 0.360 nan 8.230 nan 0.000 0.437 295 S N -0.857 114.769 115.700 -0.124 0.000 2.402 295 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 295 S C 1.926 176.537 174.600 0.019 0.000 1.021 295 S CA 0.939 59.167 58.200 0.048 0.000 0.974 295 S CB -0.293 62.957 63.200 0.083 0.000 0.800 295 S HN 0.586 nan 8.310 nan 0.000 0.484 296 A N -0.243 122.544 122.820 -0.055 0.000 2.238 296 A HA 0.526 4.846 4.320 -0.000 0.000 0.210 296 A C 1.577 179.094 177.584 -0.112 0.000 1.179 296 A CA 0.705 52.693 52.037 -0.082 0.000 0.827 296 A CB -0.968 17.932 19.000 -0.166 0.000 0.856 296 A HN 1.366 nan 8.150 nan 0.000 0.488 297 G N -1.670 107.057 108.800 -0.122 0.000 2.246 297 G HA2 0.031 3.991 3.960 -0.000 0.000 0.273 297 G HA3 0.031 3.991 3.960 -0.000 0.000 0.273 297 G C 0.570 175.267 174.900 -0.337 0.000 1.055 297 G CA 0.395 45.383 45.100 -0.187 0.000 0.851 297 G HN 1.609 nan 8.290 nan 0.000 0.500 298 A N -0.232 122.417 122.820 -0.285 0.000 2.609 298 A HA 0.445 4.765 4.320 -0.000 0.000 0.286 298 A C 1.615 179.155 177.584 -0.073 0.000 1.138 298 A CA 0.814 52.688 52.037 -0.271 0.000 0.960 298 A CB -0.038 18.888 19.000 -0.124 0.000 1.208 298 A HN 0.705 nan 8.150 nan 0.000 0.541 299 N N -0.526 118.098 118.700 -0.128 0.000 2.405 299 N HA -0.025 4.715 4.740 -0.000 0.000 0.175 299 N C 0.023 175.629 175.510 0.159 0.000 1.051 299 N CA 0.303 53.365 53.050 0.021 0.000 0.899 299 N CB -0.445 38.022 38.487 -0.033 0.000 1.000 299 N HN 0.239 nan 8.380 nan 0.000 0.451 300 F N 1.043 120.970 119.950 -0.039 0.000 3.039 300 F HA -0.138 4.389 4.527 -0.000 0.000 0.287 300 F C 1.445 177.235 175.800 -0.016 0.000 0.956 300 F CA 0.812 58.795 58.000 -0.028 0.000 0.971 300 F CB -1.785 37.195 39.000 -0.035 0.000 0.943 300 F HN 0.403 nan 8.300 nan 0.000 0.766 301 G N -1.192 107.654 108.800 0.076 0.000 2.148 301 G HA2 0.052 4.012 3.960 -0.000 0.000 0.254 301 G HA3 0.052 4.012 3.960 -0.000 0.000 0.254 301 G C 0.227 175.164 174.900 0.061 0.000 0.981 301 G CA 0.084 45.221 45.100 0.062 0.000 0.670 301 G HN 1.620 nan 8.290 nan 0.000 0.528 302 A N 0.162 123.020 122.820 0.063 0.000 2.311 302 A HA 0.685 5.005 4.320 -0.000 0.000 0.334 302 A C 0.395 177.995 177.584 0.026 0.000 1.139 302 A CA 0.125 52.189 52.037 0.044 0.000 0.830 302 A CB 0.770 19.797 19.000 0.045 0.000 1.234 302 A HN 0.651 nan 8.150 nan 0.000 0.483 303 D N 0.679 121.092 120.400 0.021 0.000 2.358 303 D HA -0.022 4.618 4.640 -0.000 0.000 0.244 303 D C 0.787 177.089 176.300 0.003 0.000 1.163 303 D CA 0.028 54.039 54.000 0.018 0.000 0.945 303 D CB 0.756 41.569 40.800 0.022 0.000 1.152 303 D HN 0.707 nan 8.370 nan 0.000 0.451 304 Q N 0.182 119.984 119.800 0.004 0.000 2.297 304 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 304 Q C 1.665 177.656 176.000 -0.014 0.000 0.962 304 Q CA 0.732 56.524 55.803 -0.019 0.000 0.879 304 Q CB -0.159 28.569 28.738 -0.017 0.000 0.947 304 Q HN 0.356 nan 8.270 nan 0.000 0.462 305 V N 1.599 121.519 119.914 0.010 0.000 2.323 305 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 305 V C 2.192 178.284 176.094 -0.003 0.000 1.041 305 V CA 2.176 64.489 62.300 0.022 0.000 1.025 305 V CB -0.808 31.043 31.823 0.047 0.000 0.656 305 V HN 0.467 nan 8.190 nan 0.000 0.451 306 T N -0.058 114.493 114.554 -0.006 0.000 2.746 306 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 306 T C 1.968 176.634 174.700 -0.057 0.000 1.039 306 T CA 1.399 63.488 62.100 -0.018 0.000 1.142 306 T CB -0.281 68.583 68.868 -0.008 0.000 0.866 306 T HN 0.161 nan 8.240 nan 0.000 0.444 307 M N 1.070 120.633 119.600 -0.062 0.000 2.175 307 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 307 M C 2.335 178.541 176.300 -0.158 0.000 1.063 307 M CA 1.310 56.556 55.300 -0.090 0.000 1.119 307 M CB -1.103 31.454 32.600 -0.072 0.000 1.377 307 M HN 0.222 nan 8.290 nan 0.000 0.415 308 E N 0.604 120.701 120.200 -0.173 0.000 2.106 308 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 308 E C 1.901 178.122 176.600 -0.632 0.000 0.984 308 E CA 1.599 57.814 56.400 -0.309 0.000 0.806 308 E CB -0.152 29.447 29.700 -0.168 0.000 0.750 308 E HN 0.370 nan 8.360 nan 0.000 0.458 309 A N 0.642 123.240 122.820 -0.371 0.000 1.972 309 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 309 A C 2.160 179.588 177.584 -0.259 0.000 1.169 309 A CA 1.447 53.305 52.037 -0.298 0.000 0.635 309 A CB -0.418 18.562 19.000 -0.033 0.000 0.810 309 A HN 0.207 nan 8.150 nan 0.000 0.446 310 R N -0.367 120.006 120.500 -0.212 0.000 2.148 310 R HA -0.065 4.275 4.340 -0.000 0.000 0.227 310 R C 1.711 177.910 176.300 -0.169 0.000 1.103 310 R CA 0.999 57.010 56.100 -0.148 0.000 0.983 310 R CB -0.272 29.956 30.300 -0.120 0.000 0.874 310 R HN 0.472 nan 8.270 nan 0.000 0.451 311 N N 0.129 118.662 118.700 -0.278 0.000 2.104 311 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 311 N C 1.383 176.856 175.510 -0.062 0.000 1.024 311 N CA 1.416 54.329 53.050 -0.228 0.000 0.853 311 N CB -0.155 38.155 38.487 -0.295 0.000 1.008 311 N HN 0.257 nan 8.380 nan 0.000 0.424 312 Y N 0.134 120.436 120.300 0.005 0.000 2.337 312 Y HA 0.152 4.702 4.550 0.000 0.000 0.293 312 Y C 2.552 178.464 175.900 0.020 0.000 1.123 312 Y CA 0.399 58.515 58.100 0.027 0.000 1.201 312 Y CB -1.112 37.360 38.460 0.021 0.000 1.011 312 Y HN -0.003 nan 8.280 nan 0.000 0.545 313 G N 0.048 108.917 108.800 0.114 0.000 2.408 313 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 313 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 313 G C 1.701 176.626 174.900 0.041 0.000 1.150 313 G CA 0.910 46.043 45.100 0.055 0.000 0.776 313 G HN 0.356 nan 8.290 nan 0.000 0.542 314 L N 1.300 122.532 121.223 0.014 0.000 2.027 314 L HA 0.245 4.585 4.340 -0.000 0.000 0.206 314 L C 3.050 179.989 176.870 0.115 0.000 1.074 314 L CA 2.146 56.994 54.840 0.014 0.000 0.745 314 L CB -0.783 41.236 42.059 -0.067 0.000 0.898 314 L HN 0.206 nan 8.230 nan 0.000 0.433 315 A N -0.268 122.607 122.820 0.092 0.000 1.908 315 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 315 A C 2.423 180.229 177.584 0.369 0.000 1.181 315 A CA 1.874 54.052 52.037 0.235 0.000 0.627 315 A CB -0.709 18.498 19.000 0.345 0.000 0.818 315 A HN 0.484 nan 8.150 nan 0.000 0.445 316 R N -0.353 120.285 120.500 0.231 0.000 2.133 316 R HA -0.241 4.099 4.340 -0.000 0.000 0.247 316 R C 1.948 178.316 176.300 0.114 0.000 1.151 316 R CA 2.424 58.618 56.100 0.157 0.000 0.971 316 R CB -1.155 29.205 30.300 0.099 0.000 0.866 316 R HN 0.753 nan 8.270 nan 0.000 0.447 317 H N -1.478 117.568 119.070 -0.040 0.000 2.457 317 H HA -0.133 4.423 4.556 0.000 0.000 0.297 317 H C 0.626 175.762 175.328 -0.320 0.000 1.092 317 H CA 2.098 57.991 56.048 -0.257 0.000 1.309 317 H CB -0.049 29.419 29.762 -0.491 0.000 1.382 317 H HN 0.409 nan 8.280 nan 0.000 0.535 318 Y N -0.536 119.864 120.300 0.166 0.000 2.485 318 Y HA 0.119 4.669 4.550 -0.000 0.000 0.260 318 Y C 0.530 176.509 175.900 0.132 0.000 1.173 318 Y CA 0.144 58.345 58.100 0.168 0.000 1.252 318 Y CB 0.300 38.983 38.460 0.372 0.000 1.123 318 Y HN 0.118 nan 8.280 nan 0.000 0.524 319 D N 1.441 121.958 120.400 0.194 0.000 2.810 319 D HA -0.156 4.484 4.640 -0.000 0.000 0.224 319 D C -2.570 173.811 176.300 0.135 0.000 1.222 319 D CA -0.038 54.038 54.000 0.127 0.000 0.698 319 D CB 0.015 40.848 40.800 0.054 0.000 0.961 319 D HN 0.176 nan 8.370 nan 0.000 0.403 320 P HA 0.040 nan 4.420 nan 0.000 0.274 320 P C 0.835 178.189 177.300 0.089 0.000 1.246 320 P CA -0.584 62.548 63.100 0.053 0.000 0.795 320 P CB 0.477 32.133 31.700 -0.073 0.000 1.006 321 F N 2.207 122.109 119.950 -0.080 0.000 2.146 321 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 321 F C 0.902 176.632 175.800 -0.116 0.000 1.096 321 F CA 1.147 59.087 58.000 -0.101 0.000 1.275 321 F CB -0.127 38.786 39.000 -0.144 0.000 1.008 321 F HN 0.239 nan 8.300 nan 0.000 0.480 322 I N -1.359 119.058 120.570 -0.255 0.000 2.722 322 I HA 0.586 4.756 4.170 -0.000 0.000 0.295 322 I C -1.592 174.600 176.117 0.124 0.000 1.161 322 I CA -1.149 59.972 61.300 -0.298 0.000 1.032 322 I CB 2.155 39.676 38.000 -0.799 0.000 1.244 322 I HN -0.342 nan 8.210 nan 0.000 0.421 323 V N 4.395 124.465 119.914 0.259 0.000 2.709 323 V HA 0.563 4.683 4.120 -0.000 0.000 0.308 323 V C -0.796 175.499 176.094 0.335 0.000 1.062 323 V CA -0.476 62.053 62.300 0.382 0.000 0.901 323 V CB 2.001 34.008 31.823 0.306 0.000 1.003 323 V HN 0.981 nan 8.190 nan 0.000 0.425 324 N N 0.863 119.777 118.700 0.357 0.000 2.260 324 N HA 0.285 5.025 4.740 -0.000 0.000 0.293 324 N C -0.737 174.870 175.510 0.162 0.000 1.058 324 N CA -0.420 52.698 53.050 0.114 0.000 0.824 324 N CB 2.328 40.745 38.487 -0.116 0.000 1.551 324 N HN 0.514 nan 8.380 nan 0.000 0.475 325 T N 0.327 114.958 114.554 0.129 0.000 2.919 325 T HA 0.192 4.542 4.350 -0.000 0.000 0.302 325 T C -0.139 174.621 174.700 0.101 0.000 1.031 325 T CA -0.267 61.928 62.100 0.159 0.000 1.127 325 T CB 0.156 69.142 68.868 0.196 0.000 0.952 325 T HN 0.339 nan 8.240 nan 0.000 0.540 326 V N 7.512 127.480 119.914 0.090 0.000 2.217 326 V HA 0.229 4.349 4.120 -0.000 0.000 0.264 326 V C 1.479 177.667 176.094 0.157 0.000 1.107 326 V CA -0.435 61.913 62.300 0.080 0.000 0.913 326 V CB 0.199 31.967 31.823 -0.092 0.000 1.153 326 V HN 0.870 nan 8.190 nan 0.000 0.469 327 V N 4.423 124.435 119.914 0.164 0.000 2.252 327 V HA -0.124 3.996 4.120 -0.000 0.000 0.249 327 V C 1.757 177.963 176.094 0.187 0.000 1.056 327 V CA 2.772 65.171 62.300 0.166 0.000 1.022 327 V CB -0.105 31.806 31.823 0.147 0.000 0.641 327 V HN 0.857 nan 8.190 nan 0.000 0.445 328 G N -2.269 106.659 108.800 0.215 0.000 4.547 328 G HA2 0.141 4.101 3.960 -0.000 0.000 0.301 328 G HA3 0.141 4.101 3.960 -0.000 0.000 0.301 328 G C 0.462 175.484 174.900 0.203 0.000 1.240 328 G CA 0.025 45.246 45.100 0.201 0.000 0.970 328 G HN 0.469 nan 8.290 nan 0.000 0.574 329 F N 0.373 120.350 119.950 0.045 0.000 2.325 329 F HA 0.176 4.703 4.527 -0.000 0.000 0.299 329 F C 1.996 177.792 175.800 -0.007 0.000 1.090 329 F CA 1.090 59.047 58.000 -0.071 0.000 1.392 329 F CB 0.284 39.190 39.000 -0.157 0.000 1.053 329 F HN 0.207 nan 8.300 nan 0.000 0.521 330 I N -0.810 119.857 120.570 0.162 0.000 2.405 330 I HA 0.253 4.423 4.170 -0.000 0.000 0.236 330 I C 1.199 177.385 176.117 0.115 0.000 1.071 330 I CA 0.756 62.159 61.300 0.171 0.000 1.398 330 I CB -0.643 37.585 38.000 0.380 0.000 1.162 330 I HN 0.132 nan 8.210 nan 0.000 0.432 331 G N -0.501 108.328 108.800 0.049 0.000 2.313 331 G HA2 0.133 4.093 3.960 -0.000 0.000 0.296 331 G HA3 0.133 4.093 3.960 -0.000 0.000 0.296 331 G C -2.580 172.182 174.900 -0.230 0.000 1.356 331 G CA -0.342 44.622 45.100 -0.227 0.000 0.833 331 G HN -0.183 nan 8.290 nan 0.000 0.552 332 P HA -0.061 nan 4.420 nan 0.000 0.220 332 P C 1.548 178.812 177.300 -0.060 0.000 1.148 332 P CA 1.602 64.588 63.100 -0.191 0.000 0.803 332 P CB 0.073 31.608 31.700 -0.274 0.000 0.782 333 E N 0.171 120.244 120.200 -0.211 0.000 2.209 333 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 333 E C 1.376 177.763 176.600 -0.354 0.000 0.993 333 E CA 1.443 57.643 56.400 -0.333 0.000 0.819 333 E CB -1.141 28.228 29.700 -0.551 0.000 0.745 333 E HN 0.421 nan 8.360 nan 0.000 0.477 334 Y N 0.173 120.512 120.300 0.066 0.000 2.559 334 Y HA 0.361 4.911 4.550 -0.000 0.000 0.279 334 Y C 1.189 177.135 175.900 0.077 0.000 1.117 334 Y CA -0.365 57.776 58.100 0.068 0.000 1.263 334 Y CB 0.789 39.290 38.460 0.067 0.000 1.230 334 Y HN -0.180 nan 8.280 nan 0.000 0.528 335 L N -0.348 120.990 121.223 0.191 0.000 2.446 335 L HA 0.222 4.562 4.340 -0.000 0.000 0.268 335 L C -0.245 176.692 176.870 0.112 0.000 0.975 335 L CA -0.617 54.314 54.840 0.152 0.000 0.848 335 L CB 1.512 43.657 42.059 0.144 0.000 1.225 335 L HN 0.116 nan 8.230 nan 0.000 0.410 336 Y N 3.499 123.804 120.300 0.009 0.000 2.206 336 Y HA -0.038 4.512 4.550 -0.000 0.000 0.292 336 Y C 1.038 176.927 175.900 -0.019 0.000 1.123 336 Y CA 1.188 59.276 58.100 -0.020 0.000 1.142 336 Y CB 0.541 38.991 38.460 -0.016 0.000 1.006 336 Y HN 0.818 nan 8.280 nan 0.000 0.518 337 N N -1.854 116.893 118.700 0.079 0.000 3.229 337 N HA 0.151 4.891 4.740 -0.000 0.000 0.315 337 N C -0.027 175.489 175.510 0.009 0.000 1.520 337 N CA -0.045 53.007 53.050 0.003 0.000 0.769 337 N CB -0.014 38.553 38.487 0.133 0.000 1.766 337 N HN -0.165 nan 8.380 nan 0.000 0.618 338 D N -0.084 120.306 120.400 -0.016 0.000 2.103 338 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 338 D C 1.757 178.067 176.300 0.017 0.000 0.997 338 D CA 2.097 56.086 54.000 -0.019 0.000 0.833 338 D CB -0.121 40.657 40.800 -0.036 0.000 0.961 338 D HN 0.652 nan 8.370 nan 0.000 0.447 339 R N 0.601 121.120 120.500 0.031 0.000 2.094 339 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 339 R C 2.108 178.440 176.300 0.052 0.000 1.137 339 R CA 1.809 57.933 56.100 0.039 0.000 0.943 339 R CB -0.211 30.114 30.300 0.043 0.000 0.850 339 R HN 0.259 nan 8.270 nan 0.000 0.433 340 Q N -0.155 119.686 119.800 0.070 0.000 2.172 340 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 340 Q C 2.228 178.278 176.000 0.084 0.000 0.964 340 Q CA 1.586 57.438 55.803 0.082 0.000 0.855 340 Q CB 0.011 28.814 28.738 0.108 0.000 0.918 340 Q HN 0.464 nan 8.270 nan 0.000 0.444 341 I N 0.205 120.821 120.570 0.077 0.000 2.252 341 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 341 I C 2.070 178.236 176.117 0.082 0.000 1.102 341 I CA 1.001 62.352 61.300 0.086 0.000 1.385 341 I CB -0.151 37.899 38.000 0.083 0.000 1.064 341 I HN 0.178 nan 8.210 nan 0.000 0.414 342 I N 0.404 121.012 120.570 0.062 0.000 2.127 342 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 342 I C 2.777 178.935 176.117 0.067 0.000 1.075 342 I CA 1.288 62.622 61.300 0.058 0.000 1.334 342 I CB -0.314 37.709 38.000 0.039 0.000 1.040 342 I HN 0.176 nan 8.210 nan 0.000 0.405 343 R N 1.567 122.104 120.500 0.063 0.000 2.094 343 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 343 R C 2.213 178.564 176.300 0.084 0.000 1.137 343 R CA 2.179 58.317 56.100 0.063 0.000 0.943 343 R CB -0.974 29.359 30.300 0.054 0.000 0.850 343 R HN 0.365 nan 8.270 nan 0.000 0.433 344 A N -0.397 122.480 122.820 0.095 0.000 1.892 344 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 344 A C 2.456 180.122 177.584 0.137 0.000 1.188 344 A CA 1.970 54.076 52.037 0.116 0.000 0.631 344 A CB -1.594 17.477 19.000 0.118 0.000 0.822 344 A HN 0.575 nan 8.150 nan 0.000 0.447 345 G N -0.285 108.590 108.800 0.126 0.000 2.440 345 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 345 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 345 G C 1.549 176.543 174.900 0.158 0.000 1.154 345 G CA 1.112 46.291 45.100 0.132 0.000 0.767 345 G HN 0.450 nan 8.290 nan 0.000 0.552 346 L N -0.124 121.185 121.223 0.142 0.000 2.056 346 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 346 L C 2.865 179.863 176.870 0.214 0.000 1.078 346 L CA 1.121 56.063 54.840 0.170 0.000 0.749 346 L CB -0.493 41.633 42.059 0.111 0.000 0.901 346 L HN 0.292 nan 8.230 nan 0.000 0.433 347 E N 0.298 120.604 120.200 0.178 0.000 2.031 347 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 347 E C 1.813 178.592 176.600 0.297 0.000 0.994 347 E CA 1.522 58.049 56.400 0.212 0.000 0.800 347 E CB -0.053 29.742 29.700 0.159 0.000 0.752 347 E HN 0.428 nan 8.360 nan 0.000 0.447 348 D N -0.309 120.256 120.400 0.275 0.000 2.104 348 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 348 D C 1.900 178.325 176.300 0.209 0.000 0.994 348 D CA 1.436 55.638 54.000 0.337 0.000 0.830 348 D CB -0.484 40.499 40.800 0.305 0.000 0.959 348 D HN 0.232 nan 8.370 nan 0.000 0.452 349 H N -0.334 118.793 119.070 0.096 0.000 2.321 349 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 349 H C 1.941 177.292 175.328 0.038 0.000 1.087 349 H CA 1.593 57.650 56.048 0.016 0.000 1.319 349 H CB -0.654 29.135 29.762 0.045 0.000 1.379 349 H HN 0.142 nan 8.280 nan 0.000 0.501 350 F N 0.499 120.378 119.950 -0.117 0.000 2.095 350 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 350 F C 2.269 178.005 175.800 -0.107 0.000 1.104 350 F CA 1.867 59.782 58.000 -0.141 0.000 1.232 350 F CB -0.342 38.661 39.000 0.006 0.000 0.987 350 F HN 0.197 nan 8.300 nan 0.000 0.475 351 M N -0.020 119.597 119.600 0.029 0.000 2.229 351 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 351 M C 2.441 178.651 176.300 -0.149 0.000 1.063 351 M CA 1.499 56.807 55.300 0.013 0.000 1.114 351 M CB -1.087 31.737 32.600 0.374 0.000 1.387 351 M HN 0.374 nan 8.290 nan 0.000 0.420 352 G N 0.407 108.930 108.800 -0.462 0.000 2.402 352 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 352 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 352 G C 1.698 176.362 174.900 -0.394 0.000 1.162 352 G CA 0.545 45.219 45.100 -0.709 0.000 0.777 352 G HN 0.222 nan 8.290 nan 0.000 0.539 353 K N -0.051 120.091 120.400 -0.429 0.000 2.097 353 K HA 0.072 4.392 4.320 -0.000 0.000 0.205 353 K C 2.341 178.757 176.600 -0.306 0.000 1.050 353 K CA 0.389 56.464 56.287 -0.353 0.000 0.938 353 K CB -0.633 31.613 32.500 -0.424 0.000 0.718 353 K HN 0.330 nan 8.250 nan 0.000 0.442 354 L N 1.417 122.388 121.223 -0.420 0.000 2.131 354 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 354 L C 1.711 178.481 176.870 -0.168 0.000 1.092 354 L CA 1.670 56.305 54.840 -0.341 0.000 0.759 354 L CB -0.506 41.245 42.059 -0.512 0.000 0.903 354 L HN -0.030 nan 8.230 nan 0.000 0.435 355 S N -0.209 115.412 115.700 -0.131 0.000 2.522 355 S HA 0.223 4.693 4.470 -0.000 0.000 0.227 355 S C 1.318 175.897 174.600 -0.035 0.000 0.986 355 S CA 0.628 58.805 58.200 -0.038 0.000 0.929 355 S CB -0.336 62.894 63.200 0.051 0.000 0.769 355 S HN 0.767 nan 8.310 nan 0.000 0.529 356 G N 2.052 110.809 108.800 -0.072 0.000 2.149 356 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.235 356 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.235 356 G C 0.015 174.900 174.900 -0.024 0.000 1.018 356 G CA 0.304 45.377 45.100 -0.045 0.000 0.728 356 G HN 0.653 nan 8.290 nan 0.000 0.508 357 I N -2.670 117.872 120.570 -0.045 0.000 2.707 357 I HA 0.831 5.001 4.170 -0.000 0.000 0.309 357 I C 0.696 176.787 176.117 -0.044 0.000 1.001 357 I CA -0.883 60.409 61.300 -0.013 0.000 1.129 357 I CB 2.125 40.144 38.000 0.032 0.000 1.308 357 I HN 0.050 nan 8.210 nan 0.000 0.466 358 S N 4.372 120.059 115.700 -0.022 0.000 3.900 358 S HA 0.261 4.731 4.470 -0.000 0.000 0.248 358 S C -0.086 174.520 174.600 0.010 0.000 1.310 358 S CA -0.574 57.599 58.200 -0.045 0.000 0.915 358 S CB -0.802 62.317 63.200 -0.135 0.000 1.588 358 S HN 0.509 nan 8.310 nan 0.000 0.472 359 M N 4.725 124.321 119.600 -0.007 0.000 2.120 359 M HA 0.567 5.047 4.480 -0.000 0.000 0.354 359 M C 0.383 176.718 176.300 0.058 0.000 1.287 359 M CA -0.050 55.248 55.300 -0.004 0.000 1.103 359 M CB 0.559 33.078 32.600 -0.134 0.000 1.623 359 M HN 0.516 nan 8.290 nan 0.000 0.471 360 G N 2.561 111.288 108.800 -0.121 0.000 3.016 360 G HA2 0.736 4.696 3.960 -0.000 0.000 0.270 360 G HA3 0.736 4.696 3.960 -0.000 0.000 0.270 360 G C -1.723 172.944 174.900 -0.389 0.000 1.352 360 G CA -0.588 44.201 45.100 -0.518 0.000 1.060 360 G HN 0.836 nan 8.290 nan 0.000 0.538 361 C N 0.264 119.293 119.300 -0.451 0.000 2.752 361 C HA 0.541 5.001 4.460 -0.000 0.000 0.360 361 C C -1.350 173.552 174.990 -0.147 0.000 1.081 361 C CA -0.936 57.966 59.018 -0.194 0.000 1.272 361 C CB 1.068 28.761 27.740 -0.077 0.000 1.754 361 C HN 0.721 nan 8.230 nan 0.000 0.483 362 D N 4.564 124.941 120.400 -0.038 0.000 2.402 362 D HA 0.218 4.858 4.640 -0.000 0.000 0.235 362 D C 0.102 176.471 176.300 0.114 0.000 1.226 362 D CA 0.017 54.053 54.000 0.059 0.000 0.918 362 D CB 0.208 41.083 40.800 0.124 0.000 1.043 362 D HN 0.689 nan 8.370 nan 0.000 0.506 363 C N 5.345 124.703 119.300 0.098 0.000 2.492 363 C HA 0.379 4.839 4.460 -0.000 0.000 0.362 363 C C 0.870 175.966 174.990 0.176 0.000 1.207 363 C CA -0.908 58.184 59.018 0.124 0.000 1.626 363 C CB -2.118 25.679 27.740 0.096 0.000 2.239 363 C HN 0.698 nan 8.230 nan 0.000 0.547 364 C N 3.850 123.293 119.300 0.239 0.000 3.318 364 C HA 0.986 5.446 4.460 -0.000 0.000 0.322 364 C C -1.069 174.137 174.990 0.361 0.000 1.398 364 C CA -1.049 58.150 59.018 0.301 0.000 1.339 364 C CB 1.016 29.040 27.740 0.474 0.000 1.668 364 C HN 0.878 nan 8.230 nan 0.000 0.462 365 Y N -0.723 119.680 120.300 0.172 0.000 2.638 365 Y HA 0.823 5.373 4.550 -0.000 0.000 0.335 365 Y C -0.224 175.743 175.900 0.112 0.000 1.155 365 Y CA -0.276 57.883 58.100 0.099 0.000 1.046 365 Y CB 0.827 39.304 38.460 0.027 0.000 1.303 365 Y HN 1.056 nan 8.280 nan 0.000 0.460 366 T N -1.747 112.859 114.554 0.086 0.000 2.952 366 T HA 0.345 4.695 4.350 -0.000 0.000 0.286 366 T C 0.077 174.859 174.700 0.136 0.000 1.024 366 T CA -0.877 61.243 62.100 0.033 0.000 1.029 366 T CB 1.354 70.282 68.868 0.101 0.000 1.094 366 T HN 0.753 nan 8.240 nan 0.000 0.515 367 N N 0.628 119.408 118.700 0.134 0.000 2.457 367 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 367 N C 1.404 177.013 175.510 0.164 0.000 1.050 367 N CA 0.686 53.822 53.050 0.144 0.000 0.906 367 N CB -0.276 38.252 38.487 0.069 0.000 0.968 367 N HN 0.795 nan 8.380 nan 0.000 0.445 368 H N -0.947 118.112 119.070 -0.019 0.000 2.539 368 H HA 0.434 4.990 4.556 -0.000 0.000 0.269 368 H C 0.273 175.553 175.328 -0.079 0.000 0.980 368 H CA -0.368 55.654 56.048 -0.042 0.000 1.152 368 H CB -0.203 29.532 29.762 -0.046 0.000 1.407 368 H HN -0.083 nan 8.280 nan 0.000 0.564 369 A N 0.817 123.491 122.820 -0.243 0.000 2.282 369 A HA 0.232 4.552 4.320 -0.000 0.000 0.319 369 A C -0.331 177.100 177.584 -0.255 0.000 1.121 369 A CA -0.462 51.382 52.037 -0.321 0.000 0.836 369 A CB 0.658 19.520 19.000 -0.228 0.000 1.146 369 A HN 0.210 nan 8.150 nan 0.000 0.494 370 D N 0.706 120.848 120.400 -0.430 0.000 2.600 370 D HA 0.495 5.135 4.640 -0.000 0.000 0.226 370 D C 0.002 176.175 176.300 -0.211 0.000 1.119 370 D CA 1.071 54.875 54.000 -0.327 0.000 1.051 370 D CB -0.492 40.039 40.800 -0.449 0.000 1.106 370 D HN 0.760 nan 8.370 nan 0.000 0.491 371 A N 2.095 124.798 122.820 -0.195 0.000 2.602 371 A HA 0.682 5.002 4.320 -0.000 0.000 0.290 371 A C -1.241 176.041 177.584 -0.504 0.000 1.114 371 A CA -0.861 50.986 52.037 -0.315 0.000 0.683 371 A CB 1.481 20.292 19.000 -0.316 0.000 1.281 371 A HN 0.378 nan 8.150 nan 0.000 0.416 372 D N -1.443 118.521 120.400 -0.728 0.000 2.798 372 D HA 0.458 5.098 4.640 -0.000 0.000 0.308 372 D C 0.482 176.305 176.300 -0.795 0.000 1.187 372 D CA -0.457 53.119 54.000 -0.706 0.000 1.033 372 D CB 0.448 41.093 40.800 -0.258 0.000 1.445 372 D HN 0.251 nan 8.370 nan 0.000 0.550 373 Q N -0.665 118.986 119.800 -0.248 0.000 2.224 373 Q HA 0.016 4.356 4.340 -0.000 0.000 0.203 373 Q C 1.096 177.058 176.000 -0.062 0.000 0.970 373 Q CA 1.489 57.283 55.803 -0.015 0.000 0.865 373 Q CB -0.324 28.457 28.738 0.073 0.000 0.922 373 Q HN 0.407 nan 8.270 nan 0.000 0.445 374 N N -0.017 118.621 118.700 -0.103 0.000 2.223 374 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 374 N C 1.503 176.965 175.510 -0.080 0.000 1.016 374 N CA 0.790 53.795 53.050 -0.075 0.000 0.863 374 N CB -0.325 38.119 38.487 -0.071 0.000 0.983 374 N HN 0.312 nan 8.380 nan 0.000 0.429 375 L N 1.417 122.555 121.223 -0.142 0.000 2.017 375 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 375 L C 1.290 178.139 176.870 -0.035 0.000 1.073 375 L CA 1.882 56.655 54.840 -0.112 0.000 0.745 375 L CB -0.877 41.064 42.059 -0.197 0.000 0.894 375 L HN 0.034 nan 8.230 nan 0.000 0.432 376 N N 0.759 119.457 118.700 -0.002 0.000 2.104 376 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 376 N C 1.725 177.262 175.510 0.045 0.000 1.024 376 N CA 1.750 54.847 53.050 0.078 0.000 0.853 376 N CB -0.178 38.401 38.487 0.154 0.000 1.008 376 N HN 0.539 nan 8.380 nan 0.000 0.424 377 E N -0.004 120.207 120.200 0.019 0.000 2.107 377 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 377 E C 1.333 177.934 176.600 0.003 0.000 0.982 377 E CA 0.492 56.898 56.400 0.011 0.000 0.809 377 E CB -0.041 29.659 29.700 -0.000 0.000 0.756 377 E HN 0.342 nan 8.360 nan 0.000 0.459 378 N N 1.096 119.794 118.700 -0.003 0.000 2.058 378 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 378 N C 1.821 177.336 175.510 0.008 0.000 1.037 378 N CA 0.795 53.844 53.050 -0.002 0.000 0.848 378 N CB -0.370 38.113 38.487 -0.008 0.000 1.021 378 N HN 0.093 nan 8.380 nan 0.000 0.422 379 L N 1.686 122.920 121.223 0.019 0.000 2.056 379 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 379 L C 2.271 179.158 176.870 0.029 0.000 1.078 379 L CA 1.363 56.222 54.840 0.031 0.000 0.749 379 L CB -0.840 41.248 42.059 0.049 0.000 0.901 379 L HN 0.271 nan 8.230 nan 0.000 0.433 380 M N -1.908 117.714 119.600 0.036 0.000 2.149 380 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 380 M C 2.139 178.439 176.300 0.001 0.000 1.064 380 M CA 2.227 57.554 55.300 0.047 0.000 1.102 380 M CB -0.856 31.785 32.600 0.068 0.000 1.369 380 M HN 0.224 nan 8.290 nan 0.000 0.408 381 I N 0.834 121.392 120.570 -0.020 0.000 2.286 381 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 381 I C 2.459 178.555 176.117 -0.036 0.000 1.104 381 I CA 1.051 62.319 61.300 -0.053 0.000 1.397 381 I CB -0.395 37.581 38.000 -0.040 0.000 1.072 381 I HN 0.334 nan 8.210 nan 0.000 0.417 382 L N 0.177 121.395 121.223 -0.008 0.000 2.046 382 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 382 L C 2.492 179.367 176.870 0.008 0.000 1.077 382 L CA 1.395 56.241 54.840 0.009 0.000 0.747 382 L CB -0.462 41.611 42.059 0.023 0.000 0.896 382 L HN 0.265 nan 8.230 nan 0.000 0.432 383 L N -0.760 120.457 121.223 -0.010 0.000 2.109 383 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 383 L C 2.836 179.673 176.870 -0.055 0.000 1.086 383 L CA 0.881 55.680 54.840 -0.068 0.000 0.760 383 L CB -0.617 41.382 42.059 -0.099 0.000 0.910 383 L HN 0.233 nan 8.230 nan 0.000 0.437 384 A N 0.191 123.003 122.820 -0.013 0.000 1.933 384 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 384 A C 2.423 179.994 177.584 -0.021 0.000 1.175 384 A CA 2.275 54.289 52.037 -0.038 0.000 0.628 384 A CB -0.932 17.866 19.000 -0.336 0.000 0.814 384 A HN 0.520 nan 8.150 nan 0.000 0.444 385 T N -2.771 111.772 114.554 -0.017 0.000 2.951 385 T HA 0.196 4.546 4.350 -0.000 0.000 0.268 385 T C 1.660 176.392 174.700 0.053 0.000 1.073 385 T CA 1.310 63.419 62.100 0.016 0.000 1.134 385 T CB -0.353 68.530 68.868 0.024 0.000 0.884 385 T HN 0.553 nan 8.240 nan 0.000 0.479 386 A N 0.829 123.691 122.820 0.069 0.000 2.235 386 A HA 0.553 4.873 4.320 -0.000 0.000 0.208 386 A C 1.941 179.649 177.584 0.207 0.000 1.172 386 A CA 0.562 52.688 52.037 0.149 0.000 0.786 386 A CB -1.194 17.940 19.000 0.222 0.000 0.804 386 A HN 1.473 nan 8.150 nan 0.000 0.479 387 G N -1.516 107.360 108.800 0.126 0.000 2.149 387 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.235 387 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.235 387 G C 0.349 175.349 174.900 0.168 0.000 1.018 387 G CA 0.077 45.269 45.100 0.154 0.000 0.728 387 G HN 1.056 nan 8.290 nan 0.000 0.508 388 C N 0.466 119.750 119.300 -0.027 0.000 2.437 388 C HA 0.168 4.628 4.460 -0.000 0.000 0.399 388 C C 2.061 177.055 174.990 0.007 0.000 1.478 388 C CA 0.613 59.511 59.018 -0.201 0.000 1.538 388 C CB -0.635 26.948 27.740 -0.263 0.000 2.506 388 C HN 0.580 nan 8.230 nan 0.000 0.603 389 N N 2.454 121.161 118.700 0.011 0.000 2.188 389 N HA 0.053 4.793 4.740 -0.000 0.000 0.184 389 N C -0.318 175.142 175.510 -0.083 0.000 1.018 389 N CA 1.774 54.833 53.050 0.016 0.000 0.858 389 N CB -0.115 38.421 38.487 0.081 0.000 0.989 389 N HN 0.922 nan 8.380 nan 0.000 0.426 390 Y N -1.914 118.155 120.300 -0.385 0.000 2.641 390 Y HA 0.526 5.076 4.550 -0.000 0.000 0.333 390 Y C -0.931 174.763 175.900 -0.343 0.000 1.174 390 Y CA -2.021 55.757 58.100 -0.537 0.000 1.057 390 Y CB 0.405 38.621 38.460 -0.406 0.000 1.322 390 Y HN -0.097 nan 8.280 nan 0.000 0.457 391 I N -0.191 120.208 120.570 -0.285 0.000 3.436 391 I HA 0.683 4.853 4.170 -0.000 0.000 0.300 391 I C -0.466 175.668 176.117 0.028 0.000 1.131 391 I CA -1.516 59.718 61.300 -0.110 0.000 1.001 391 I CB 1.696 39.739 38.000 0.072 0.000 1.305 391 I HN 0.523 nan 8.210 nan 0.000 0.494 392 M N 1.245 120.878 119.600 0.054 0.000 2.245 392 M HA 0.561 5.041 4.480 -0.000 0.000 0.292 392 M C 0.123 176.463 176.300 0.066 0.000 1.176 392 M CA -0.431 54.918 55.300 0.081 0.000 1.035 392 M CB 0.703 33.348 32.600 0.076 0.000 1.440 392 M HN 0.861 nan 8.290 nan 0.000 0.494 393 G N 1.347 110.184 108.800 0.062 0.000 2.732 393 G HA2 0.718 4.678 3.960 -0.000 0.000 0.295 393 G HA3 0.718 4.678 3.960 -0.000 0.000 0.295 393 G C -1.218 173.481 174.900 -0.334 0.000 1.456 393 G CA -0.545 44.556 45.100 0.001 0.000 1.050 393 G HN 0.559 nan 8.290 nan 0.000 0.525 394 M N 1.643 120.713 119.600 -0.884 0.000 2.575 394 M HA 0.353 4.833 4.480 -0.000 0.000 0.284 394 M C -2.799 172.747 176.300 -1.256 0.000 1.253 394 M CA -1.907 52.817 55.300 -0.960 0.000 0.861 394 M CB 3.378 35.729 32.600 -0.414 0.000 1.733 394 M HN 0.150 nan 8.290 nan 0.000 0.462 395 P HA 0.150 nan 4.420 nan 0.000 0.260 395 P C 0.053 177.218 177.300 -0.224 0.000 1.207 395 P CA 0.451 63.364 63.100 -0.311 0.000 0.780 395 P CB -0.021 31.689 31.700 0.016 0.000 0.789 396 L N 2.252 123.368 121.223 -0.178 0.000 4.739 396 L HA -0.350 3.990 4.340 -0.000 0.000 0.437 396 L C 1.365 178.128 176.870 -0.179 0.000 1.117 396 L CA 0.857 55.614 54.840 -0.137 0.000 0.970 396 L CB -2.399 39.606 42.059 -0.090 0.000 1.965 396 L HN 0.743 nan 8.230 nan 0.000 0.872 397 G N -0.724 107.914 108.800 -0.270 0.000 2.179 397 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 397 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 397 G C -0.009 174.706 174.900 -0.308 0.000 0.977 397 G CA 0.402 45.336 45.100 -0.277 0.000 0.641 397 G HN 0.519 nan 8.290 nan 0.000 0.533 398 D N 1.197 121.449 120.400 -0.247 0.000 2.365 398 D HA 0.397 5.037 4.640 -0.000 0.000 0.237 398 D C -0.386 175.790 176.300 -0.206 0.000 1.190 398 D CA -0.454 53.415 54.000 -0.218 0.000 0.867 398 D CB 0.532 41.252 40.800 -0.134 0.000 1.050 398 D HN 0.103 nan 8.370 nan 0.000 0.491 399 D N 3.796 124.041 120.400 -0.258 0.000 2.352 399 D HA 0.028 4.668 4.640 -0.000 0.000 0.245 399 D C 1.466 177.737 176.300 -0.048 0.000 1.224 399 D CA -0.362 53.562 54.000 -0.126 0.000 0.879 399 D CB 0.575 41.342 40.800 -0.056 0.000 1.057 399 D HN 0.571 nan 8.370 nan 0.000 0.491 400 I N 1.244 121.798 120.570 -0.026 0.000 3.456 400 I HA -0.009 4.161 4.170 -0.000 0.000 0.291 400 I C 1.249 177.372 176.117 0.010 0.000 1.307 400 I CA 0.393 61.686 61.300 -0.011 0.000 1.333 400 I CB 0.006 38.003 38.000 -0.005 0.000 1.032 400 I HN 0.292 nan 8.210 nan 0.000 0.506 401 M N 0.207 119.826 119.600 0.032 0.000 1.923 401 M HA 0.215 4.695 4.480 -0.000 0.000 0.249 401 M C 0.913 177.254 176.300 0.067 0.000 1.178 401 M CA 0.599 55.924 55.300 0.042 0.000 1.033 401 M CB 0.232 32.856 32.600 0.040 0.000 1.801 401 M HN 0.291 nan 8.290 nan 0.000 0.629 402 L N 1.909 123.211 121.223 0.131 0.000 2.558 402 L HA 0.092 4.432 4.340 -0.000 0.000 0.225 402 L C -0.362 176.586 176.870 0.130 0.000 1.128 402 L CA 0.133 55.080 54.840 0.179 0.000 0.868 402 L CB -0.295 41.978 42.059 0.357 0.000 1.006 402 L HN 0.426 nan 8.230 nan 0.000 0.454 403 N N 0.157 118.922 118.700 0.109 0.000 2.708 403 N HA -0.244 4.496 4.740 -0.000 0.000 0.255 403 N C -0.909 174.634 175.510 0.056 0.000 1.046 403 N CA 1.208 54.275 53.050 0.029 0.000 0.715 403 N CB -1.631 36.837 38.487 -0.032 0.000 0.895 403 N HN 0.574 nan 8.380 nan 0.000 0.545 404 Y N -2.776 117.413 120.300 -0.184 0.000 2.689 404 Y HA 0.706 5.256 4.550 0.000 0.000 0.333 404 Y C -1.167 174.568 175.900 -0.275 0.000 1.208 404 Y CA -1.339 56.603 58.100 -0.263 0.000 1.055 404 Y CB 0.757 39.039 38.460 -0.297 0.000 1.304 404 Y HN -0.030 nan 8.280 nan 0.000 0.455 405 Q N 1.387 120.759 119.800 -0.713 0.000 2.331 405 Q HA 0.610 4.950 4.340 -0.000 0.000 0.267 405 Q C -0.264 175.350 176.000 -0.644 0.000 1.006 405 Q CA -0.540 54.812 55.803 -0.751 0.000 0.818 405 Q CB 2.259 30.601 28.738 -0.659 0.000 1.276 405 Q HN 0.901 nan 8.270 nan 0.000 0.450 406 T N 0.007 114.228 114.554 -0.555 0.000 2.780 406 T HA 0.576 4.926 4.350 -0.000 0.000 0.263 406 T C -0.310 174.317 174.700 -0.122 0.000 0.993 406 T CA -0.304 61.646 62.100 -0.249 0.000 1.010 406 T CB 0.558 69.292 68.868 -0.222 0.000 1.642 406 T HN 0.711 nan 8.240 nan 0.000 0.587 407 T N 0.709 115.226 114.554 -0.061 0.000 2.909 407 T HA 0.736 5.086 4.350 -0.000 0.000 0.289 407 T C 0.271 174.902 174.700 -0.115 0.000 1.005 407 T CA -0.670 61.408 62.100 -0.036 0.000 1.084 407 T CB 0.866 69.755 68.868 0.036 0.000 0.975 407 T HN 0.793 nan 8.240 nan 0.000 0.509 408 A N 1.699 124.460 122.820 -0.098 0.000 2.346 408 A HA 0.561 4.881 4.320 -0.000 0.000 0.252 408 A C 0.958 178.466 177.584 -0.127 0.000 1.089 408 A CA -0.775 51.164 52.037 -0.163 0.000 0.797 408 A CB -0.312 18.659 19.000 -0.049 0.000 1.047 408 A HN 0.912 nan 8.150 nan 0.000 0.494 409 F N -0.520 119.338 119.950 -0.153 0.000 2.126 409 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 409 F C 2.179 177.746 175.800 -0.389 0.000 1.096 409 F CA 2.091 59.909 58.000 -0.303 0.000 1.255 409 F CB -0.468 38.182 39.000 -0.584 0.000 0.997 409 F HN 0.777 nan 8.300 nan 0.000 0.479 410 H N -0.229 118.628 119.070 -0.356 0.000 2.394 410 H HA -0.196 4.360 4.556 -0.000 0.000 0.297 410 H C 1.717 177.059 175.328 0.022 0.000 1.113 410 H CA 1.827 57.775 56.048 -0.167 0.000 1.277 410 H CB -0.448 29.236 29.762 -0.130 0.000 1.370 410 H HN 0.171 nan 8.280 nan 0.000 0.506 411 D N -0.695 119.787 120.400 0.137 0.000 2.178 411 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 411 D C 2.022 178.410 176.300 0.147 0.000 0.974 411 D CA 1.264 55.334 54.000 0.116 0.000 0.841 411 D CB -0.321 40.530 40.800 0.085 0.000 0.953 411 D HN 0.367 nan 8.370 nan 0.000 0.478 412 T N 0.651 115.334 114.554 0.215 0.000 2.737 412 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 412 T C 2.019 176.865 174.700 0.244 0.000 1.038 412 T CA 1.381 63.670 62.100 0.316 0.000 1.144 412 T CB -0.170 68.905 68.868 0.346 0.000 0.866 412 T HN 0.169 nan 8.240 nan 0.000 0.434 413 A N 1.236 124.198 122.820 0.236 0.000 1.902 413 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 413 A C 2.537 180.207 177.584 0.143 0.000 1.181 413 A CA 2.143 54.310 52.037 0.217 0.000 0.623 413 A CB -1.251 17.928 19.000 0.298 0.000 0.818 413 A HN 0.480 nan 8.150 nan 0.000 0.443 414 T N -0.422 114.208 114.554 0.127 0.000 2.674 414 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 414 T C 1.878 176.580 174.700 0.003 0.000 1.039 414 T CA 1.609 63.753 62.100 0.072 0.000 1.150 414 T CB -0.517 68.394 68.868 0.071 0.000 0.864 414 T HN 0.131 nan 8.240 nan 0.000 0.427 415 V N 1.355 121.237 119.914 -0.054 0.000 2.343 415 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 415 V C 2.679 178.652 176.094 -0.202 0.000 1.051 415 V CA 1.704 63.875 62.300 -0.216 0.000 1.036 415 V CB -0.539 30.979 31.823 -0.508 0.000 0.654 415 V HN 0.375 nan 8.190 nan 0.000 0.451 416 R N -0.554 119.890 120.500 -0.093 0.000 2.073 416 R HA -0.195 4.145 4.340 -0.000 0.000 0.234 416 R C 2.395 178.701 176.300 0.009 0.000 1.134 416 R CA 1.848 57.947 56.100 -0.002 0.000 0.952 416 R CB -0.300 30.068 30.300 0.113 0.000 0.850 416 R HN 0.599 nan 8.270 nan 0.000 0.433 417 Q N 0.069 119.883 119.800 0.024 0.000 2.187 417 Q HA -0.089 4.251 4.340 -0.000 0.000 0.199 417 Q C 2.089 178.094 176.000 0.008 0.000 0.957 417 Q CA 0.700 56.519 55.803 0.027 0.000 0.857 417 Q CB 0.007 28.772 28.738 0.044 0.000 0.929 417 Q HN 0.180 nan 8.270 nan 0.000 0.453 418 L N 0.213 121.430 121.223 -0.009 0.000 2.046 418 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 418 L C 1.489 178.344 176.870 -0.025 0.000 1.077 418 L CA 1.706 56.536 54.840 -0.018 0.000 0.747 418 L CB 0.070 42.110 42.059 -0.032 0.000 0.896 418 L HN 0.158 nan 8.230 nan 0.000 0.432 419 L N -0.639 120.558 121.223 -0.044 0.000 2.728 419 L HA 0.208 4.548 4.340 -0.000 0.000 0.238 419 L C 0.476 177.338 176.870 -0.014 0.000 1.143 419 L CA -0.099 54.717 54.840 -0.039 0.000 0.937 419 L CB -0.260 41.752 42.059 -0.079 0.000 1.225 419 L HN 0.355 nan 8.230 nan 0.000 0.507 420 N N 1.613 120.312 118.700 -0.001 0.000 2.725 420 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 420 N C -0.871 174.657 175.510 0.030 0.000 1.031 420 N CA 0.680 53.741 53.050 0.017 0.000 0.720 420 N CB -1.135 37.363 38.487 0.018 0.000 0.930 420 N HN 0.309 nan 8.380 nan 0.000 0.543 421 L N 0.217 121.461 121.223 0.035 0.000 2.331 421 L HA 0.616 4.956 4.340 -0.000 0.000 0.275 421 L C 0.906 177.840 176.870 0.107 0.000 1.022 421 L CA -1.010 53.873 54.840 0.072 0.000 0.812 421 L CB 1.491 43.593 42.059 0.073 0.000 1.257 421 L HN -0.033 nan 8.230 nan 0.000 0.435 422 R N 1.221 121.798 120.500 0.128 0.000 2.758 422 R HA 0.585 4.925 4.340 -0.000 0.000 0.265 422 R C -2.440 173.969 176.300 0.182 0.000 1.016 422 R CA -2.280 53.902 56.100 0.138 0.000 1.040 422 R CB 0.977 31.343 30.300 0.109 0.000 1.152 422 R HN 0.242 nan 8.270 nan 0.000 0.503 423 P HA 0.122 nan 4.420 nan 0.000 0.286 423 P C -0.419 176.994 177.300 0.188 0.000 1.293 423 P CA -0.390 62.848 63.100 0.231 0.000 0.770 423 P CB 0.322 32.236 31.700 0.356 0.000 1.206 424 S N 2.253 118.053 115.700 0.168 0.000 2.563 424 S HA 0.004 4.474 4.470 -0.000 0.000 0.294 424 S C -1.210 173.501 174.600 0.185 0.000 1.279 424 S CA -0.365 57.923 58.200 0.146 0.000 1.069 424 S CB -0.560 62.708 63.200 0.113 0.000 0.828 424 S HN 0.422 nan 8.310 nan 0.000 0.497 425 P HA -0.157 nan 4.420 nan 0.000 0.216 425 P C 0.824 178.204 177.300 0.133 0.000 1.150 425 P CA 1.281 64.452 63.100 0.120 0.000 0.843 425 P CB 0.187 31.939 31.700 0.088 0.000 0.787 426 E N -0.921 119.364 120.200 0.143 0.000 2.072 426 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 426 E C 1.916 178.645 176.600 0.215 0.000 0.985 426 E CA 0.891 57.378 56.400 0.145 0.000 0.801 426 E CB -1.089 28.678 29.700 0.112 0.000 0.750 426 E HN 0.244 nan 8.360 nan 0.000 0.452 427 F N 1.459 121.466 119.950 0.094 0.000 2.206 427 F HA -0.102 4.425 4.527 0.000 0.000 0.298 427 F C 2.313 178.248 175.800 0.226 0.000 1.090 427 F CA 1.356 59.444 58.000 0.148 0.000 1.323 427 F CB 0.199 39.248 39.000 0.083 0.000 1.028 427 F HN -0.013 nan 8.300 nan 0.000 0.492 428 E N 0.343 120.692 120.200 0.249 0.000 2.085 428 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 428 E C 2.348 178.977 176.600 0.049 0.000 0.994 428 E CA 1.389 57.868 56.400 0.131 0.000 0.801 428 E CB -0.152 29.631 29.700 0.137 0.000 0.743 428 E HN 0.394 nan 8.360 nan 0.000 0.453 429 R N -0.539 120.008 120.500 0.078 0.000 2.096 429 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 429 R C 2.089 178.411 176.300 0.037 0.000 1.127 429 R CA 1.600 57.730 56.100 0.050 0.000 0.968 429 R CB -0.503 29.840 30.300 0.072 0.000 0.861 429 R HN 0.406 nan 8.270 nan 0.000 0.440 430 W N 1.463 122.682 121.300 -0.135 0.000 2.358 430 W HA -0.140 4.520 4.660 0.000 0.000 0.303 430 W C 1.582 177.961 176.519 -0.234 0.000 1.208 430 W CA 1.227 58.462 57.345 -0.183 0.000 1.274 430 W CB -0.314 28.996 29.460 -0.249 0.000 1.138 430 W HN -0.045 nan 8.180 nan 0.000 0.515 431 L N 0.431 121.466 121.223 -0.313 0.000 2.083 431 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 431 L C 2.394 179.044 176.870 -0.367 0.000 1.083 431 L CA 1.792 56.361 54.840 -0.452 0.000 0.752 431 L CB -0.853 41.069 42.059 -0.230 0.000 0.899 431 L HN 0.044 nan 8.230 nan 0.000 0.433 432 E N -0.578 119.486 120.200 -0.226 0.000 2.072 432 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 432 E C 2.361 178.833 176.600 -0.213 0.000 0.985 432 E CA 1.290 57.586 56.400 -0.174 0.000 0.801 432 E CB -0.048 29.596 29.700 -0.094 0.000 0.750 432 E HN 0.279 nan 8.360 nan 0.000 0.452 433 S N 0.216 115.770 115.700 -0.245 0.000 2.399 433 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 433 S C 1.691 176.088 174.600 -0.339 0.000 1.022 433 S CA 0.855 58.910 58.200 -0.243 0.000 0.983 433 S CB 0.040 63.121 63.200 -0.199 0.000 0.803 433 S HN 0.208 nan 8.310 nan 0.000 0.480 434 M N -0.079 119.194 119.600 -0.546 0.000 2.595 434 M HA 0.181 4.661 4.480 -0.000 0.000 0.248 434 M C 1.655 177.686 176.300 -0.449 0.000 1.119 434 M CA 0.671 55.611 55.300 -0.599 0.000 1.079 434 M CB -1.205 30.799 32.600 -0.994 0.000 1.472 434 M HN 0.440 nan 8.290 nan 0.000 0.501 435 G N 0.848 109.440 108.800 -0.346 0.000 2.143 435 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 435 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 435 G C 0.876 175.616 174.900 -0.268 0.000 0.991 435 G CA 0.458 45.401 45.100 -0.262 0.000 0.689 435 G HN 0.506 nan 8.290 nan 0.000 0.522 436 I N -0.865 119.516 120.570 -0.315 0.000 2.585 436 I HA 0.331 4.501 4.170 -0.000 0.000 0.254 436 I C 1.456 177.467 176.117 -0.177 0.000 1.129 436 I CA 0.815 61.952 61.300 -0.272 0.000 1.455 436 I CB 0.117 37.931 38.000 -0.309 0.000 1.111 436 I HN 0.379 nan 8.210 nan 0.000 0.433 437 M N 0.833 120.339 119.600 -0.157 0.000 2.393 437 M HA 0.672 5.152 4.480 -0.000 0.000 0.316 437 M C -1.608 174.646 176.300 -0.077 0.000 1.087 437 M CA -0.520 54.728 55.300 -0.087 0.000 0.937 437 M CB 2.261 34.834 32.600 -0.044 0.000 1.668 437 M HN -0.043 nan 8.290 nan 0.000 0.438 438 A N 3.685 126.476 122.820 -0.049 0.000 2.375 438 A HA 0.546 4.866 4.320 -0.000 0.000 0.295 438 A C -0.399 177.176 177.584 -0.015 0.000 1.066 438 A CA -0.609 51.406 52.037 -0.038 0.000 0.722 438 A CB 0.404 19.377 19.000 -0.045 0.000 1.206 438 A HN 1.088 nan 8.150 nan 0.000 0.435 439 N N 1.430 120.126 118.700 -0.006 0.000 2.727 439 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 439 N C 1.012 176.533 175.510 0.019 0.000 1.048 439 N CA 1.788 54.842 53.050 0.007 0.000 0.714 439 N CB -0.773 37.716 38.487 0.003 0.000 0.959 439 N HN 2.165 nan 8.380 nan 0.000 0.544 440 G N -1.233 107.585 108.800 0.029 0.000 2.205 440 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.261 440 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.261 440 G C 0.185 175.113 174.900 0.047 0.000 0.980 440 G CA 0.608 45.737 45.100 0.049 0.000 0.632 440 G HN 0.495 nan 8.290 nan 0.000 0.533 441 R N -0.243 120.272 120.500 0.026 0.000 2.532 441 R HA 0.611 4.951 4.340 -0.000 0.000 0.295 441 R C 0.627 176.929 176.300 0.004 0.000 0.968 441 R CA -0.893 55.220 56.100 0.022 0.000 0.916 441 R CB 0.946 31.253 30.300 0.012 0.000 1.124 441 R HN 0.199 nan 8.270 nan 0.000 0.463 442 L N 2.781 124.008 121.223 0.007 0.000 2.490 442 L HA 0.049 4.389 4.340 -0.000 0.000 0.274 442 L C 1.231 178.068 176.870 -0.054 0.000 1.201 442 L CA 0.144 54.964 54.840 -0.034 0.000 0.869 442 L CB 0.433 42.471 42.059 -0.036 0.000 1.123 442 L HN 0.777 nan 8.230 nan 0.000 0.484 443 T N -0.339 114.162 114.554 -0.088 0.000 2.732 443 T HA 0.140 4.490 4.350 -0.000 0.000 0.287 443 T C 1.043 175.687 174.700 -0.093 0.000 0.993 443 T CA -0.635 61.412 62.100 -0.089 0.000 0.966 443 T CB 0.983 69.784 68.868 -0.112 0.000 1.047 443 T HN 0.524 nan 8.240 nan 0.000 0.527 444 K N 0.208 120.559 120.400 -0.081 0.000 2.097 444 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 444 K C 2.528 179.068 176.600 -0.101 0.000 1.049 444 K CA 1.520 57.762 56.287 -0.075 0.000 0.933 444 K CB -0.169 32.295 32.500 -0.059 0.000 0.717 444 K HN 0.655 nan 8.250 nan 0.000 0.442 445 R N 0.508 120.933 120.500 -0.125 0.000 2.307 445 R HA 0.196 4.536 4.340 -0.000 0.000 0.199 445 R C 0.601 176.780 176.300 -0.202 0.000 1.000 445 R CA 0.207 56.217 56.100 -0.151 0.000 1.023 445 R CB -0.055 30.150 30.300 -0.158 0.000 0.908 445 R HN -0.058 nan 8.270 nan 0.000 0.473 446 A N 0.937 123.625 122.820 -0.220 0.000 2.346 446 A HA 0.469 4.789 4.320 -0.000 0.000 0.252 446 A C 1.225 178.568 177.584 -0.401 0.000 1.089 446 A CA 0.259 52.117 52.037 -0.298 0.000 0.797 446 A CB -0.172 18.670 19.000 -0.265 0.000 1.047 446 A HN 0.529 nan 8.150 nan 0.000 0.494 447 G N -0.377 108.020 108.800 -0.672 0.000 2.143 447 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.248 447 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.248 447 G C -0.252 174.411 174.900 -0.394 0.000 0.991 447 G CA 0.725 45.190 45.100 -1.059 0.000 0.689 447 G HN 1.247 nan 8.290 nan 0.000 0.522 448 D N -0.488 119.771 120.400 -0.235 0.000 2.421 448 D HA 0.490 5.130 4.640 -0.000 0.000 0.254 448 D C -0.701 175.601 176.300 0.004 0.000 1.238 448 D CA -1.871 52.082 54.000 -0.077 0.000 0.919 448 D CB 1.638 42.379 40.800 -0.097 0.000 1.152 448 D HN 0.027 nan 8.370 nan 0.000 0.552 449 P HA -0.112 nan 4.420 nan 0.000 0.225 449 P C 1.052 178.551 177.300 0.331 0.000 1.148 449 P CA 0.596 63.887 63.100 0.318 0.000 0.779 449 P CB 0.121 32.010 31.700 0.315 0.000 0.780 450 S N -0.701 115.089 115.700 0.150 0.000 2.555 450 S HA -0.036 4.434 4.470 -0.000 0.000 0.230 450 S C 1.807 176.488 174.600 0.135 0.000 0.978 450 S CA -0.091 58.189 58.200 0.133 0.000 0.934 450 S CB -1.228 61.968 63.200 -0.007 0.000 0.766 450 S HN 0.012 nan 8.310 nan 0.000 0.533 451 L N 0.212 121.417 121.223 -0.030 0.000 2.191 451 L HA 0.111 4.451 4.340 -0.000 0.000 0.212 451 L C 1.065 177.735 176.870 -0.333 0.000 1.103 451 L CA 1.578 56.265 54.840 -0.255 0.000 0.769 451 L CB -0.920 40.848 42.059 -0.485 0.000 0.908 451 L HN 0.358 nan 8.230 nan 0.000 0.438 452 F N -1.358 118.528 119.950 -0.108 0.000 2.811 452 F HA 0.078 4.605 4.527 0.000 0.000 0.301 452 F C 0.825 176.442 175.800 -0.305 0.000 1.151 452 F CA -0.048 57.758 58.000 -0.324 0.000 1.412 452 F CB -0.241 38.362 39.000 -0.662 0.000 1.113 452 F HN -0.088 nan 8.300 nan 0.000 0.579 453 F N 0.000 119.967 119.950 0.028 0.000 2.286 453 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 453 F CA 0.000 58.014 58.000 0.023 0.000 1.383 453 F CB 0.000 38.982 39.000 -0.030 0.000 1.145 453 F HN 0.000 nan 8.300 nan 0.000 0.574