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 1ade_1_A DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 1 G C 0.000 175.020 174.900 0.201 0.000 0.946 1 G CA 0.000 45.160 45.100 0.100 0.000 0.502 2 N N 1.546 120.424 118.700 0.298 0.000 2.109 2 N HA -0.199 nan 4.740 nan 0.000 0.188 2 N C -0.193 175.594 175.510 0.462 0.000 1.034 2 N CA 1.682 55.003 53.050 0.453 0.000 0.846 2 N CB 0.531 39.225 38.487 0.346 0.000 1.010 2 N HN 0.051 8.640 8.380 0.243 -0.063 0.425 3 N N -0.516 118.392 118.700 0.346 0.000 2.462 3 N HA 0.278 nan 4.740 nan 0.000 0.242 3 N C -2.075 173.615 175.510 0.301 0.000 1.010 3 N CA -0.095 53.186 53.050 0.386 0.000 0.939 3 N CB 0.327 39.049 38.487 0.391 0.000 1.127 3 N HN -0.076 8.914 8.380 0.284 -0.440 0.509 4 V N 4.935 125.009 119.914 0.267 0.000 2.513 4 V HA 0.710 nan 4.120 nan 0.000 0.299 4 V C -1.525 174.708 176.094 0.232 0.000 1.035 4 V CA -1.063 61.297 62.300 0.101 0.000 0.889 4 V CB 2.832 34.430 31.823 -0.375 0.000 0.988 4 V HN 0.578 8.984 8.190 0.359 0.000 0.440 5 V N 6.414 126.436 119.914 0.180 0.000 2.495 5 V HA 0.735 nan 4.120 nan 0.000 0.298 5 V C -1.597 174.582 176.094 0.141 0.000 1.031 5 V CA -1.186 61.224 62.300 0.184 0.000 0.871 5 V CB 2.225 34.071 31.823 0.038 0.000 0.988 5 V HN 0.465 8.744 8.190 0.149 0.000 0.432 6 V N 6.450 126.468 119.914 0.174 0.000 2.531 6 V HA 0.939 nan 4.120 nan 0.000 0.301 6 V C -1.930 174.253 176.094 0.147 0.000 1.034 6 V CA -1.187 61.193 62.300 0.133 0.000 0.865 6 V CB 1.233 33.126 31.823 0.116 0.000 0.995 6 V HN 0.659 8.995 8.190 0.243 0.000 0.424 7 L N 2.226 123.514 121.223 0.110 0.000 2.518 7 L HA 0.727 nan 4.340 nan 0.000 0.257 7 L C -1.139 175.768 176.870 0.062 0.000 0.980 7 L CA -1.407 53.490 54.840 0.096 0.000 0.837 7 L CB 2.382 44.508 42.059 0.111 0.000 1.410 7 L HN 0.347 8.632 8.230 0.091 0.000 0.410 8 G N -1.684 107.140 108.800 0.040 0.000 2.442 8 G HA2 0.027 nan 3.960 nan 0.000 0.249 8 G HA3 0.027 nan 3.960 nan 0.000 0.249 8 G C -0.277 174.615 174.900 -0.014 0.000 1.263 8 G CA 0.047 45.154 45.100 0.012 0.000 0.846 8 G HN 0.392 8.709 8.290 0.044 0.000 0.555 9 T N -0.496 114.042 114.554 -0.026 0.000 3.060 9 T HA 0.136 nan 4.350 nan 0.000 0.249 9 T C 0.265 174.848 174.700 -0.196 0.000 1.079 9 T CA 0.676 62.742 62.100 -0.057 0.000 1.013 9 T CB 0.101 68.994 68.868 0.041 0.000 0.975 9 T HN 0.254 8.486 8.240 -0.014 0.000 0.518 10 Q N 0.092 119.735 119.800 -0.261 0.000 3.078 10 Q HA 0.246 nan 4.340 nan 0.000 0.209 10 Q C -0.281 175.368 176.000 -0.586 0.000 1.169 10 Q CA -0.227 55.248 55.803 -0.547 0.000 0.335 10 Q CB 2.377 30.902 28.738 -0.355 0.000 5.772 10 Q HN -0.167 8.316 8.270 -0.167 -0.313 0.311 11 W N -1.516 119.729 121.300 -0.092 0.000 2.616 11 W HA 0.202 nan 4.660 nan 0.000 0.419 11 W C -0.466 176.000 176.519 -0.088 0.000 0.835 11 W CA -0.833 56.450 57.345 -0.103 0.000 2.483 11 W CB -0.203 29.150 29.460 -0.179 0.000 1.289 11 W HN 0.433 8.617 8.180 0.007 0.000 0.755 12 G N -0.435 108.395 108.800 0.051 0.000 2.746 12 G HA2 -0.337 nan 3.960 nan 0.000 0.685 12 G HA3 -0.337 nan 3.960 nan 0.000 0.685 12 G C -2.088 172.820 174.900 0.015 0.000 1.350 12 G CA -0.614 44.504 45.100 0.031 0.000 0.837 12 G HN -0.315 8.170 8.290 -0.017 -0.205 0.564 13 D N -3.181 117.218 120.400 -0.002 0.000 2.945 13 D HA -0.425 nan 4.640 nan 0.000 0.225 13 D C 0.251 176.527 176.300 -0.041 0.000 1.158 13 D CA 1.657 55.645 54.000 -0.021 0.000 0.805 13 D CB -0.503 40.284 40.800 -0.022 0.000 1.098 13 D HN 0.360 8.732 8.370 0.002 0.000 0.426 14 E N -1.495 118.683 120.200 -0.036 0.000 2.285 14 E HA -0.124 nan 4.350 nan 0.000 0.194 14 E C 0.711 177.292 176.600 -0.032 0.000 0.997 14 E CA 1.431 57.801 56.400 -0.049 0.000 0.845 14 E CB 0.129 29.808 29.700 -0.036 0.000 0.782 14 E HN 0.196 8.516 8.360 -0.022 0.027 0.491 15 G N -2.609 106.179 108.800 -0.020 0.000 2.237 15 G HA2 -0.273 nan 3.960 nan 0.000 0.153 15 G HA3 -0.273 nan 3.960 nan 0.000 0.153 15 G C -0.010 174.889 174.900 -0.001 0.000 1.039 15 G CA -0.034 45.058 45.100 -0.013 0.000 0.719 15 G HN -0.025 8.218 8.290 -0.020 0.036 0.491 16 K N 0.037 120.441 120.400 0.007 0.000 2.439 16 K HA -0.079 nan 4.320 nan 0.000 0.197 16 K C 1.117 177.739 176.600 0.038 0.000 1.041 16 K CA 1.157 57.467 56.287 0.037 0.000 0.970 16 K CB -0.451 32.085 32.500 0.059 0.000 0.773 16 K HN 0.173 8.424 8.250 0.002 0.000 0.479 17 G N 0.108 108.880 108.800 -0.047 0.000 2.480 17 G HA2 -0.328 nan 3.960 nan 0.000 0.216 17 G HA3 -0.328 nan 3.960 nan 0.000 0.216 17 G C 1.035 175.904 174.900 -0.051 0.000 1.200 17 G CA 1.746 46.733 45.100 -0.188 0.000 0.782 17 G HN 0.242 8.437 8.290 -0.060 0.059 0.554 18 K N 1.801 122.183 120.400 -0.031 0.000 2.063 18 K HA -0.229 nan 4.320 nan 0.000 0.208 18 K C 2.330 178.962 176.600 0.053 0.000 1.048 18 K CA 2.880 59.177 56.287 0.016 0.000 0.928 18 K CB -0.098 32.408 32.500 0.010 0.000 0.713 18 K HN -0.359 7.864 8.250 -0.046 0.000 0.442 19 I N -1.668 118.934 120.570 0.053 0.000 2.226 19 I HA -0.371 nan 4.170 nan 0.000 0.245 19 I C 2.022 178.190 176.117 0.084 0.000 1.100 19 I CA 2.247 63.583 61.300 0.059 0.000 1.374 19 I CB -1.495 36.537 38.000 0.054 0.000 1.057 19 I HN -0.549 7.685 8.210 0.040 0.000 0.413 20 V N 1.286 121.274 119.914 0.123 0.000 2.255 20 V HA -0.543 nan 4.120 nan 0.000 0.247 20 V C 2.472 178.646 176.094 0.132 0.000 1.051 20 V CA 5.032 67.420 62.300 0.147 0.000 1.018 20 V CB -1.050 30.909 31.823 0.227 0.000 0.641 20 V HN 0.243 8.510 8.190 0.129 0.000 0.445 21 D N -0.675 119.825 120.400 0.167 0.000 2.123 21 D HA -0.307 nan 4.640 nan 0.000 0.196 21 D C 2.347 178.697 176.300 0.084 0.000 0.992 21 D CA 3.142 57.217 54.000 0.125 0.000 0.833 21 D CB -0.444 40.445 40.800 0.148 0.000 0.954 21 D HN -0.498 8.007 8.370 0.226 0.000 0.455 22 L N -0.713 120.557 121.223 0.078 0.000 1.989 22 L HA -0.286 nan 4.340 nan 0.000 0.211 22 L C 2.121 179.038 176.870 0.078 0.000 1.071 22 L CA 3.063 57.940 54.840 0.062 0.000 0.749 22 L CB 0.210 42.298 42.059 0.048 0.000 0.890 22 L HN -0.403 7.804 8.230 0.083 0.073 0.431 23 L N -3.583 117.699 121.223 0.099 0.000 2.376 23 L HA -0.340 nan 4.340 nan 0.000 0.219 23 L C 1.769 178.752 176.870 0.188 0.000 1.133 23 L CA 2.402 57.347 54.840 0.175 0.000 0.816 23 L CB -0.961 41.196 42.059 0.163 0.000 0.933 23 L HN -0.216 8.066 8.230 0.087 0.000 0.449 24 T N 0.832 115.452 114.554 0.110 0.000 2.929 24 T HA -0.392 nan 4.350 nan 0.000 0.271 24 T C 1.045 175.766 174.700 0.036 0.000 1.085 24 T CA 4.121 66.261 62.100 0.067 0.000 1.125 24 T CB -0.875 68.014 68.868 0.036 0.000 0.874 24 T HN -0.186 7.967 8.240 0.097 0.145 0.494 25 E N -0.832 119.395 120.200 0.044 0.000 2.153 25 E HA -0.370 nan 4.350 nan 0.000 0.194 25 E C 1.291 177.894 176.600 0.005 0.000 0.988 25 E CA 2.001 58.414 56.400 0.022 0.000 0.811 25 E CB -0.045 29.672 29.700 0.030 0.000 0.746 25 E HN -0.454 7.801 8.360 0.063 0.144 0.466 26 R N -4.167 116.336 120.500 0.005 0.000 2.279 26 R HA 0.013 nan 4.340 nan 0.000 0.195 26 R C -0.457 175.761 176.300 -0.138 0.000 0.905 26 R CA -0.164 55.912 56.100 -0.041 0.000 1.044 26 R CB 1.197 31.462 30.300 -0.057 0.000 1.056 26 R HN -0.786 7.512 8.270 0.047 0.000 0.535 27 A N -1.082 121.641 122.820 -0.162 0.000 2.462 27 A HA 0.048 nan 4.320 nan 0.000 0.243 27 A C -0.957 176.559 177.584 -0.114 0.000 1.076 27 A CA 0.467 52.411 52.037 -0.154 0.000 0.773 27 A CB 1.243 20.276 19.000 0.054 0.000 1.010 27 A HN -0.552 7.573 8.150 -0.042 0.000 0.493 28 K N 1.024 121.338 120.400 -0.142 0.000 2.348 28 K HA 0.121 nan 4.320 nan 0.000 0.194 28 K C -0.115 176.199 176.600 -0.477 0.000 1.052 28 K CA 0.815 56.915 56.287 -0.312 0.000 1.004 28 K CB 1.954 34.217 32.500 -0.395 0.000 0.873 28 K HN 0.611 8.709 8.250 -0.074 0.108 0.523 29 Y N -2.840 117.429 120.300 -0.050 0.000 2.462 29 Y HA 0.546 nan 4.550 nan 0.000 0.346 29 Y C -1.917 173.936 175.900 -0.078 0.000 0.976 29 Y CA -1.022 57.039 58.100 -0.066 0.000 1.044 29 Y CB 3.659 42.067 38.460 -0.087 0.000 1.230 29 Y HN -0.651 7.646 8.280 0.027 0.000 0.455 30 V N 2.334 122.296 119.914 0.081 0.000 2.531 30 V HA 0.650 nan 4.120 nan 0.000 0.301 30 V C -1.891 174.205 176.094 0.004 0.000 1.034 30 V CA -0.756 61.556 62.300 0.020 0.000 0.865 30 V CB 1.954 33.790 31.823 0.020 0.000 0.995 30 V HN 0.579 8.835 8.190 0.111 0.000 0.424 31 V N 7.475 127.360 119.914 -0.049 0.000 2.531 31 V HA 0.660 nan 4.120 nan 0.000 0.301 31 V C -1.156 175.057 176.094 0.197 0.000 1.034 31 V CA -1.443 60.870 62.300 0.022 0.000 0.865 31 V CB 2.568 34.306 31.823 -0.141 0.000 0.995 31 V HN 0.930 9.055 8.190 -0.109 0.000 0.424 32 R N 6.370 126.970 120.500 0.167 0.000 2.297 32 R HA 0.536 nan 4.340 nan 0.000 0.308 32 R C -0.343 176.077 176.300 0.199 0.000 1.029 32 R CA -1.740 54.434 56.100 0.123 0.000 0.929 32 R CB 1.193 31.523 30.300 0.051 0.000 1.046 32 R HN 0.585 8.929 8.270 0.123 0.000 0.461 33 Y N -0.744 119.661 120.300 0.175 0.000 2.563 33 Y HA 0.225 nan 4.550 nan 0.000 0.250 33 Y C -1.884 174.096 175.900 0.132 0.000 1.126 33 Y CA -2.131 56.070 58.100 0.167 0.000 1.231 33 Y CB 1.746 40.323 38.460 0.195 0.000 1.288 33 Y HN 0.029 8.032 8.280 -0.461 0.000 0.537 34 Q N -3.880 115.721 119.800 -0.331 0.000 2.590 34 Q HA 0.251 nan 4.340 nan 0.000 0.295 34 Q C -0.540 175.425 176.000 -0.059 0.000 0.973 34 Q CA -0.896 54.835 55.803 -0.120 0.000 0.768 34 Q CB 2.618 31.267 28.738 -0.149 0.000 1.479 34 Q HN -0.666 7.307 8.270 -0.496 0.000 0.419 35 G N 0.965 109.827 108.800 0.103 0.000 2.542 35 G HA2 -0.435 nan 3.960 nan 0.000 0.235 35 G HA3 -0.435 nan 3.960 nan 0.000 0.235 35 G C -2.041 172.898 174.900 0.065 0.000 1.286 35 G CA -0.153 45.007 45.100 0.100 0.000 0.904 35 G HN -0.093 8.338 8.290 0.234 0.000 0.577 36 G N -0.698 108.103 108.800 0.001 0.000 3.039 36 G HA2 0.341 nan 3.960 nan 0.000 0.202 36 G HA3 0.341 nan 3.960 nan 0.000 0.202 36 G C -1.825 173.090 174.900 0.026 0.000 1.151 36 G CA 0.275 45.377 45.100 0.005 0.000 0.836 36 G HN -0.264 8.284 8.290 -0.020 -0.270 0.598 37 H N -0.413 118.632 119.070 -0.041 0.000 2.970 37 H HA 0.208 nan 4.556 nan 0.000 0.226 37 H C -1.037 174.247 175.328 -0.073 0.000 1.909 37 H CA -2.139 53.903 56.048 -0.011 0.000 1.388 37 H CB -2.581 27.168 29.762 -0.022 0.000 1.773 37 H HN 0.302 8.732 8.280 0.250 0.000 0.559 38 N N 0.553 119.177 118.700 -0.127 0.000 2.301 38 N HA 0.016 nan 4.740 nan 0.000 0.247 38 N C 0.102 175.655 175.510 0.072 0.000 1.347 38 N CA -0.608 52.351 53.050 -0.151 0.000 0.844 38 N CB -0.737 37.626 38.487 -0.207 0.000 1.332 38 N HN -0.239 8.056 8.380 -0.026 0.070 0.494 39 A N -0.997 121.925 122.820 0.170 0.000 1.933 39 A HA -0.171 nan 4.320 nan 0.000 0.218 39 A C 0.609 178.304 177.584 0.185 0.000 1.175 39 A CA 2.049 54.176 52.037 0.151 0.000 0.628 39 A CB 0.028 19.102 19.000 0.124 0.000 0.814 39 A HN 0.188 8.349 8.150 0.184 0.099 0.444 40 G N -3.653 105.339 108.800 0.320 0.000 2.273 40 G HA2 -0.459 nan 3.960 nan 0.000 0.280 40 G HA3 -0.459 nan 3.960 nan 0.000 0.280 40 G C -0.879 174.033 174.900 0.021 0.000 1.047 40 G CA 0.461 45.649 45.100 0.148 0.000 0.869 40 G HN -0.493 8.208 8.290 0.708 0.013 0.502 41 H N 1.248 120.271 119.070 -0.078 0.000 3.118 41 H HA 0.061 nan 4.556 nan 0.000 0.266 41 H C -0.894 174.384 175.328 -0.084 0.000 1.465 41 H CA -1.209 54.806 56.048 -0.056 0.000 1.460 41 H CB -0.074 29.668 29.762 -0.033 0.000 1.661 41 H HN 0.100 8.419 8.280 0.064 0.000 0.516 42 T N 7.332 121.794 114.554 -0.152 0.000 2.901 42 T HA 0.209 nan 4.350 nan 0.000 0.301 42 T C -0.539 174.110 174.700 -0.086 0.000 1.012 42 T CA 0.395 62.434 62.100 -0.102 0.000 1.135 42 T CB 0.427 69.239 68.868 -0.093 0.000 0.936 42 T HN -0.277 7.848 8.240 -0.192 0.000 0.539 43 L N 3.063 124.281 121.223 -0.009 0.000 2.671 43 L HA 0.503 nan 4.340 nan 0.000 0.259 43 L C -1.694 175.187 176.870 0.019 0.000 1.021 43 L CA -1.954 52.901 54.840 0.024 0.000 0.871 43 L CB 2.323 44.449 42.059 0.113 0.000 1.472 43 L HN 0.676 8.794 8.230 -0.008 0.107 0.410 44 V N 0.555 120.483 119.914 0.023 0.000 2.318 44 V HA 0.409 nan 4.120 nan 0.000 0.271 44 V C -0.371 175.736 176.094 0.022 0.000 1.030 44 V CA -0.293 62.018 62.300 0.019 0.000 0.844 44 V CB -0.789 31.045 31.823 0.018 0.000 1.015 44 V HN 0.328 8.535 8.190 0.028 0.000 0.460 45 I N 7.579 128.159 120.570 0.017 0.000 2.330 45 I HA 0.098 nan 4.170 nan 0.000 0.289 45 I C -0.634 175.490 176.117 0.010 0.000 1.001 45 I CA -1.314 59.995 61.300 0.015 0.000 1.193 45 I CB 1.598 39.606 38.000 0.012 0.000 1.345 45 I HN 0.373 8.591 8.210 0.014 0.000 0.461 46 N N 6.856 125.562 118.700 0.010 0.000 2.696 46 N HA -0.397 nan 4.740 nan 0.000 0.256 46 N C 0.605 176.120 175.510 0.008 0.000 1.031 46 N CA 0.380 53.434 53.050 0.007 0.000 0.730 46 N CB -0.285 38.205 38.487 0.005 0.000 0.894 46 N HN 0.884 9.271 8.380 0.011 0.000 0.544 47 G N -2.706 106.100 108.800 0.010 0.000 3.757 47 G HA2 -0.413 nan 3.960 nan 0.000 0.215 47 G HA3 -0.413 nan 3.960 nan 0.000 0.215 47 G C -0.421 174.486 174.900 0.011 0.000 1.411 47 G CA 0.050 45.156 45.100 0.011 0.000 0.896 47 G HN 0.447 8.744 8.290 0.011 0.000 0.581 48 E N 3.319 123.525 120.200 0.010 0.000 2.343 48 E HA 0.065 nan 4.350 nan 0.000 0.269 48 E C -1.043 175.563 176.600 0.010 0.000 1.047 48 E CA -0.673 55.733 56.400 0.011 0.000 0.874 48 E CB 1.156 30.861 29.700 0.009 0.000 1.033 48 E HN -0.285 8.025 8.360 0.009 0.055 0.409 49 K N 1.853 122.259 120.400 0.010 0.000 2.297 49 K HA 0.256 nan 4.320 nan 0.000 0.286 49 K C -0.776 175.826 176.600 0.004 0.000 1.053 49 K CA 0.381 56.673 56.287 0.008 0.000 0.940 49 K CB 0.720 33.225 32.500 0.009 0.000 1.019 49 K HN 0.065 8.321 8.250 0.012 0.000 0.475 50 T N 5.543 120.096 114.554 -0.001 0.000 2.838 50 T HA 0.366 nan 4.350 nan 0.000 0.292 50 T C -2.628 172.055 174.700 -0.030 0.000 1.113 50 T CA -2.086 60.008 62.100 -0.009 0.000 1.008 50 T CB 3.668 72.533 68.868 -0.004 0.000 1.259 50 T HN 0.979 9.108 8.240 0.002 0.113 0.520 51 V N 2.260 122.135 119.914 -0.065 0.000 2.540 51 V HA 0.699 nan 4.120 nan 0.000 0.302 51 V C -0.962 175.001 176.094 -0.218 0.000 1.035 51 V CA -0.936 61.269 62.300 -0.158 0.000 0.873 51 V CB 1.920 33.596 31.823 -0.245 0.000 0.992 51 V HN 0.373 8.533 8.190 -0.051 0.000 0.428 52 L N 5.328 126.441 121.223 -0.183 0.000 2.313 52 L HA 0.446 nan 4.340 nan 0.000 0.283 52 L C -0.385 176.384 176.870 -0.168 0.000 1.013 52 L CA -1.014 53.751 54.840 -0.124 0.000 0.816 52 L CB 1.391 43.430 42.059 -0.033 0.000 1.236 52 L HN 0.410 8.475 8.230 -0.098 0.106 0.419 53 H N 3.324 122.432 119.070 0.064 0.000 2.681 53 H HA 0.262 nan 4.556 nan 0.000 0.268 53 H C 0.925 176.290 175.328 0.062 0.000 0.967 53 H CA 2.511 58.598 56.048 0.064 0.000 1.233 53 H CB 2.059 31.867 29.762 0.077 0.000 1.445 53 H HN 0.632 9.395 8.280 0.058 -0.449 0.494 54 L N -0.732 120.595 121.223 0.173 0.000 2.541 54 L HA 0.217 nan 4.340 nan 0.000 0.187 54 L C -0.637 176.265 176.870 0.054 0.000 1.098 54 L CA 0.448 55.356 54.840 0.113 0.000 0.846 54 L CB 2.191 44.317 42.059 0.111 0.000 1.151 54 L HN -0.618 8.156 8.230 0.151 -0.453 0.492 55 I N 0.281 120.871 120.570 0.033 0.000 2.533 55 I HA -0.106 nan 4.170 nan 0.000 0.284 55 I C -1.808 174.295 176.117 -0.023 0.000 1.109 55 I CA -0.584 60.719 61.300 0.006 0.000 1.412 55 I CB -1.119 36.879 38.000 -0.002 0.000 1.396 55 I HN -0.523 8.031 8.210 0.041 -0.320 0.543 56 P HA 0.020 nan 4.420 nan 0.000 0.268 56 P C 0.020 177.234 177.300 -0.143 0.000 1.208 56 P CA -0.235 62.817 63.100 -0.080 0.000 0.777 56 P CB 0.693 32.370 31.700 -0.038 0.000 0.875 57 S N 2.811 118.334 115.700 -0.295 0.000 2.442 57 S HA -0.294 nan 4.470 nan 0.000 0.236 57 S C 1.949 176.457 174.600 -0.153 0.000 1.007 57 S CA 2.745 60.740 58.200 -0.341 0.000 0.965 57 S CB -0.611 62.132 63.200 -0.761 0.000 0.773 57 S HN 0.714 8.799 8.310 -0.374 0.000 0.504 58 G N 0.340 109.075 108.800 -0.108 0.000 2.625 58 G HA2 -0.182 nan 3.960 nan 0.000 0.214 58 G HA3 -0.182 nan 3.960 nan 0.000 0.214 58 G C 0.866 175.739 174.900 -0.046 0.000 1.132 58 G CA 1.088 46.154 45.100 -0.056 0.000 0.782 58 G HN 0.313 8.495 8.290 -0.115 0.039 0.538 59 I N 2.491 123.031 120.570 -0.049 0.000 2.756 59 I HA -0.270 nan 4.170 nan 0.000 0.262 59 I C 0.258 176.357 176.117 -0.030 0.000 1.225 59 I CA 1.179 62.459 61.300 -0.034 0.000 1.472 59 I CB 0.276 38.258 38.000 -0.030 0.000 1.094 59 I HN -0.366 7.637 8.210 -0.065 0.168 0.454 60 L N -3.006 118.198 121.223 -0.032 0.000 2.418 60 L HA -0.098 nan 4.340 nan 0.000 0.218 60 L C 0.323 177.181 176.870 -0.020 0.000 1.125 60 L CA 0.318 55.146 54.840 -0.021 0.000 0.835 60 L CB -0.304 41.747 42.059 -0.013 0.000 0.953 60 L HN -0.614 7.540 8.230 -0.042 0.051 0.454 61 R N -0.514 119.970 120.500 -0.026 0.000 2.368 61 R HA 0.062 nan 4.340 nan 0.000 0.302 61 R C 1.035 177.312 176.300 -0.037 0.000 1.002 61 R CA -0.504 55.578 56.100 -0.029 0.000 0.929 61 R CB 1.356 31.638 30.300 -0.030 0.000 1.073 61 R HN -0.640 7.461 8.270 -0.031 0.150 0.464 62 E N 5.609 125.788 120.200 -0.035 0.000 2.035 62 E HA -0.382 nan 4.350 nan 0.000 0.204 62 E C 0.726 177.294 176.600 -0.054 0.000 1.025 62 E CA 2.986 59.362 56.400 -0.039 0.000 0.835 62 E CB -0.045 29.634 29.700 -0.035 0.000 0.764 62 E HN 0.580 8.922 8.360 -0.030 0.000 0.457 63 N N -2.641 116.018 118.700 -0.069 0.000 2.376 63 N HA 0.030 nan 4.740 nan 0.000 0.249 63 N C -1.816 173.610 175.510 -0.140 0.000 1.140 63 N CA -0.197 52.795 53.050 -0.096 0.000 0.870 63 N CB 0.189 38.618 38.487 -0.097 0.000 1.124 63 N HN -0.182 8.160 8.380 -0.064 0.000 0.505 64 V N 0.276 120.118 119.914 -0.121 0.000 2.472 64 V HA 0.324 nan 4.120 nan 0.000 0.290 64 V C -0.346 175.673 176.094 -0.125 0.000 1.037 64 V CA -0.603 61.609 62.300 -0.146 0.000 0.908 64 V CB 1.200 32.969 31.823 -0.090 0.000 0.985 64 V HN -0.824 7.246 8.190 -0.088 0.067 0.454 65 T N 10.301 124.759 114.554 -0.161 0.000 2.756 65 T HA 0.351 nan 4.350 nan 0.000 0.290 65 T C -0.966 173.777 174.700 0.073 0.000 0.985 65 T CA -1.055 61.030 62.100 -0.025 0.000 0.955 65 T CB 1.082 69.980 68.868 0.049 0.000 0.930 65 T HN 1.027 8.982 8.240 -0.290 0.110 0.451 66 S N 7.925 123.653 115.700 0.048 0.000 2.499 66 S HA 0.815 nan 4.470 nan 0.000 0.279 66 S C -1.502 173.138 174.600 0.066 0.000 1.219 66 S CA 0.191 58.419 58.200 0.047 0.000 1.062 66 S CB 0.809 64.017 63.200 0.014 0.000 0.978 66 S HN 0.696 9.023 8.310 0.029 0.000 0.489 67 I N 3.612 124.222 120.570 0.067 0.000 2.608 67 I HA 0.677 nan 4.170 nan 0.000 0.295 67 I C -1.691 174.469 176.117 0.071 0.000 1.049 67 I CA -0.875 60.465 61.300 0.067 0.000 1.063 67 I CB 3.952 41.988 38.000 0.060 0.000 1.248 67 I HN 1.073 9.215 8.210 0.060 0.104 0.424 68 I N 4.919 125.531 120.570 0.071 0.000 2.359 68 I HA 0.429 nan 4.170 nan 0.000 0.284 68 I C -0.513 175.662 176.117 0.097 0.000 1.018 68 I CA -1.433 59.914 61.300 0.078 0.000 1.173 68 I CB 0.613 38.645 38.000 0.055 0.000 1.326 68 I HN 0.220 8.468 8.210 0.063 0.000 0.462 69 G N 4.870 113.752 108.800 0.137 0.000 2.653 69 G HA2 -0.047 nan 3.960 nan 0.000 0.265 69 G HA3 -0.047 nan 3.960 nan 0.000 0.265 69 G C 0.788 175.768 174.900 0.133 0.000 1.237 69 G CA -1.150 44.042 45.100 0.155 0.000 0.946 69 G HN 0.669 9.055 8.290 0.161 0.000 0.522 70 N N -0.261 118.518 118.700 0.131 0.000 2.381 70 N HA -0.245 nan 4.740 nan 0.000 0.182 70 N C 1.239 176.833 175.510 0.142 0.000 1.025 70 N CA 2.267 55.389 53.050 0.119 0.000 0.888 70 N CB -0.617 37.936 38.487 0.110 0.000 0.965 70 N HN 0.102 8.562 8.380 0.135 0.000 0.438 71 G N -0.789 108.113 108.800 0.171 0.000 2.470 71 G HA2 -0.137 nan 3.960 nan 0.000 0.220 71 G HA3 -0.137 nan 3.960 nan 0.000 0.220 71 G C -0.920 174.112 174.900 0.220 0.000 1.121 71 G CA 0.813 46.036 45.100 0.205 0.000 0.766 71 G HN -0.320 7.962 8.290 0.182 0.117 0.553 72 V N 1.461 121.459 119.914 0.142 0.000 2.530 72 V HA 0.216 nan 4.120 nan 0.000 0.282 72 V C 0.261 176.360 176.094 0.008 0.000 1.048 72 V CA 0.188 62.538 62.300 0.084 0.000 0.997 72 V CB 0.224 32.081 31.823 0.057 0.000 0.987 72 V HN -0.710 7.513 8.190 0.131 0.045 0.477 73 V N 3.731 123.573 119.914 -0.119 0.000 2.432 73 V HA 0.285 nan 4.120 nan 0.000 0.271 73 V C -0.783 175.246 176.094 -0.109 0.000 1.046 73 V CA -1.379 60.775 62.300 -0.243 0.000 0.945 73 V CB -0.536 30.938 31.823 -0.583 0.000 0.992 73 V HN 0.357 8.485 8.190 -0.103 0.000 0.471 74 L N 8.193 129.369 121.223 -0.078 0.000 2.261 74 L HA 0.383 nan 4.340 nan 0.000 0.289 74 L C -1.294 175.528 176.870 -0.080 0.000 1.059 74 L CA -1.033 53.776 54.840 -0.050 0.000 0.816 74 L CB 1.622 43.666 42.059 -0.024 0.000 1.191 74 L HN 1.203 9.273 8.230 -0.082 0.110 0.431 75 S N 7.332 122.960 115.700 -0.120 0.000 2.404 75 S HA 0.419 nan 4.470 nan 0.000 0.309 75 S C -1.192 173.314 174.600 -0.155 0.000 1.076 75 S CA -4.197 53.888 58.200 -0.190 0.000 1.095 75 S CB 0.357 63.302 63.200 -0.425 0.000 0.972 75 S HN 0.413 8.662 8.310 -0.101 0.000 0.484 76 P HA -0.216 nan 4.420 nan 0.000 0.216 76 P C 0.233 177.476 177.300 -0.095 0.000 1.150 76 P CA 2.540 65.587 63.100 -0.088 0.000 0.837 76 P CB -0.004 31.651 31.700 -0.074 0.000 0.786 77 A N -3.190 119.562 122.820 -0.113 0.000 1.877 77 A HA -0.232 nan 4.320 nan 0.000 0.216 77 A C 1.839 179.357 177.584 -0.111 0.000 1.186 77 A CA 2.871 54.847 52.037 -0.102 0.000 0.620 77 A CB -1.059 17.878 19.000 -0.105 0.000 0.822 77 A HN 0.068 8.133 8.150 -0.123 0.011 0.443 78 A N -0.967 121.746 122.820 -0.179 0.000 1.902 78 A HA -0.254 nan 4.320 nan 0.000 0.217 78 A C 1.826 179.370 177.584 -0.068 0.000 1.181 78 A CA 2.889 54.835 52.037 -0.151 0.000 0.623 78 A CB -0.831 17.979 19.000 -0.316 0.000 0.818 78 A HN -0.586 7.414 8.150 -0.250 0.000 0.443 79 L N -1.141 120.037 121.223 -0.074 0.000 2.012 79 L HA -0.376 nan 4.340 nan 0.000 0.210 79 L C 1.837 178.688 176.870 -0.032 0.000 1.073 79 L CA 3.306 58.123 54.840 -0.039 0.000 0.748 79 L CB -0.230 41.802 42.059 -0.045 0.000 0.891 79 L HN 0.085 8.249 8.230 -0.109 0.000 0.431 80 M N -1.561 118.013 119.600 -0.044 0.000 2.108 80 M HA -0.512 nan 4.480 nan 0.000 0.261 80 M C 1.404 177.689 176.300 -0.025 0.000 1.066 80 M CA 4.018 59.296 55.300 -0.037 0.000 1.107 80 M CB -0.239 32.335 32.600 -0.044 0.000 1.356 80 M HN 0.336 8.483 8.290 -0.058 0.108 0.406 81 K N -0.668 119.718 120.400 -0.023 0.000 1.973 81 K HA -0.430 nan 4.320 nan 0.000 0.212 81 K C 1.887 178.487 176.600 -0.001 0.000 1.047 81 K CA 3.803 60.085 56.287 -0.009 0.000 0.937 81 K CB -0.272 32.228 32.500 -0.001 0.000 0.721 81 K HN -0.304 7.926 8.250 -0.034 0.000 0.440 82 E N -1.199 119.005 120.200 0.007 0.000 2.130 82 E HA -0.421 nan 4.350 nan 0.000 0.196 82 E C 2.597 179.197 176.600 -0.001 0.000 0.998 82 E CA 2.793 59.199 56.400 0.009 0.000 0.806 82 E CB -0.245 29.466 29.700 0.019 0.000 0.738 82 E HN -0.558 7.807 8.360 0.008 0.000 0.459 83 M N 0.602 120.198 119.600 -0.006 0.000 2.066 83 M HA -0.449 nan 4.480 nan 0.000 0.259 83 M C 1.583 177.878 176.300 -0.009 0.000 1.074 83 M CA 4.093 59.387 55.300 -0.010 0.000 1.114 83 M CB 0.111 32.702 32.600 -0.016 0.000 1.306 83 M HN 0.082 8.361 8.290 -0.008 0.006 0.411 84 K N -1.153 119.241 120.400 -0.010 0.000 2.015 84 K HA -0.453 nan 4.320 nan 0.000 0.216 84 K C 2.217 178.814 176.600 -0.005 0.000 1.052 84 K CA 3.586 59.868 56.287 -0.009 0.000 0.937 84 K CB -0.722 31.773 32.500 -0.009 0.000 0.719 84 K HN -0.205 8.038 8.250 -0.012 0.000 0.446 85 E N -0.966 119.232 120.200 -0.003 0.000 2.070 85 E HA -0.378 nan 4.350 nan 0.000 0.197 85 E C 2.900 179.499 176.600 -0.002 0.000 1.004 85 E CA 2.976 59.375 56.400 -0.001 0.000 0.805 85 E CB -0.101 29.601 29.700 0.003 0.000 0.744 85 E HN -0.273 8.085 8.360 -0.002 0.000 0.451 86 L N -1.640 119.581 121.223 -0.003 0.000 2.093 86 L HA -0.339 nan 4.340 nan 0.000 0.208 86 L C 2.365 179.232 176.870 -0.005 0.000 1.085 86 L CA 2.924 57.761 54.840 -0.005 0.000 0.755 86 L CB -0.233 41.822 42.059 -0.007 0.000 0.904 86 L HN -0.060 8.168 8.230 -0.004 0.000 0.435 87 E N -0.574 119.622 120.200 -0.006 0.000 2.077 87 E HA -0.379 nan 4.350 nan 0.000 0.193 87 E C 3.055 179.652 176.600 -0.005 0.000 0.989 87 E CA 3.086 59.481 56.400 -0.007 0.000 0.800 87 E CB -0.811 28.884 29.700 -0.008 0.000 0.746 87 E HN 0.428 8.677 8.360 -0.007 0.107 0.452 88 D N 1.346 121.743 120.400 -0.004 0.000 2.106 88 D HA -0.226 nan 4.640 nan 0.000 0.191 88 D C 1.855 178.154 176.300 -0.002 0.000 0.997 88 D CA 2.789 56.787 54.000 -0.003 0.000 0.834 88 D CB -0.242 40.557 40.800 -0.002 0.000 0.956 88 D HN 0.138 8.506 8.370 -0.005 0.000 0.448 89 R N -2.934 117.565 120.500 -0.002 0.000 2.328 89 R HA 0.048 nan 4.340 nan 0.000 0.206 89 R C 0.443 176.741 176.300 -0.003 0.000 0.990 89 R CA -0.977 55.123 56.100 -0.001 0.000 1.085 89 R CB -0.637 29.663 30.300 -0.000 0.000 0.998 89 R HN -0.626 7.643 8.270 -0.002 0.000 0.484 90 G N -0.982 107.816 108.800 -0.004 0.000 2.160 90 G HA2 -0.414 nan 3.960 nan 0.000 0.244 90 G HA3 -0.414 nan 3.960 nan 0.000 0.244 90 G C -0.525 174.371 174.900 -0.006 0.000 1.022 90 G CA 0.300 45.397 45.100 -0.005 0.000 0.741 90 G HN 0.016 8.076 8.290 -0.004 0.227 0.508 91 I N 1.196 121.762 120.570 -0.007 0.000 2.325 91 I HA 0.266 nan 4.170 nan 0.000 0.291 91 I C -1.288 174.823 176.117 -0.009 0.000 1.019 91 I CA -4.038 57.257 61.300 -0.009 0.000 1.302 91 I CB 0.316 38.311 38.000 -0.009 0.000 1.401 91 I HN -0.293 7.913 8.210 -0.006 0.000 0.485 92 P HA 0.189 nan 4.420 nan 0.000 0.237 92 P C 0.370 177.664 177.300 -0.010 0.000 1.788 92 P CA -0.615 62.479 63.100 -0.010 0.000 1.061 92 P CB -1.375 30.319 31.700 -0.011 0.000 1.967 93 V N 4.434 124.342 119.914 -0.010 0.000 2.255 93 V HA -0.474 nan 4.120 nan 0.000 0.247 93 V C 2.001 178.091 176.094 -0.006 0.000 1.051 93 V CA 4.404 66.698 62.300 -0.009 0.000 1.018 93 V CB -0.485 31.332 31.823 -0.009 0.000 0.641 93 V HN 0.071 8.467 8.190 -0.010 -0.212 0.445 94 R N -1.524 118.972 120.500 -0.007 0.000 2.261 94 R HA -0.312 nan 4.340 nan 0.000 0.236 94 R C 1.226 177.526 176.300 -0.001 0.000 1.141 94 R CA 2.576 58.672 56.100 -0.006 0.000 1.001 94 R CB -0.540 29.755 30.300 -0.009 0.000 0.866 94 R HN 0.379 8.644 8.270 -0.009 0.000 0.468 95 E N -4.467 115.732 120.200 -0.002 0.000 2.498 95 E HA 0.127 nan 4.350 nan 0.000 0.203 95 E C 0.590 177.191 176.600 0.001 0.000 1.013 95 E CA 0.129 56.529 56.400 0.000 0.000 0.927 95 E CB 0.641 30.339 29.700 -0.004 0.000 1.012 95 E HN -0.555 7.750 8.360 -0.005 0.052 0.482 96 R N -3.093 117.406 120.500 -0.000 0.000 2.476 96 R HA 0.343 nan 4.340 nan 0.000 0.276 96 R C -1.413 174.894 176.300 0.012 0.000 0.941 96 R CA -0.050 56.050 56.100 -0.001 0.000 1.088 96 R CB 2.150 32.443 30.300 -0.013 0.000 1.216 96 R HN 0.001 8.149 8.270 -0.001 0.121 0.533 97 L N -0.589 120.643 121.223 0.016 0.000 2.365 97 L HA 0.624 nan 4.340 nan 0.000 0.273 97 L C -1.808 175.082 176.870 0.032 0.000 1.000 97 L CA -0.760 54.094 54.840 0.024 0.000 0.819 97 L CB 2.789 44.855 42.059 0.012 0.000 1.284 97 L HN -0.758 7.479 8.230 0.011 0.000 0.418 98 L N 4.899 126.148 121.223 0.045 0.000 2.370 98 L HA 0.601 nan 4.340 nan 0.000 0.266 98 L C -1.800 175.099 176.870 0.048 0.000 1.002 98 L CA -1.332 53.537 54.840 0.049 0.000 0.818 98 L CB 3.841 45.937 42.059 0.061 0.000 1.325 98 L HN 0.624 8.884 8.230 0.050 0.000 0.418 99 L N -1.203 120.049 121.223 0.048 0.000 2.333 99 L HA 0.740 nan 4.340 nan 0.000 0.263 99 L C -1.696 175.214 176.870 0.066 0.000 1.014 99 L CA -1.869 53.001 54.840 0.051 0.000 0.820 99 L CB 3.651 45.730 42.059 0.035 0.000 1.352 99 L HN 0.911 9.067 8.230 0.050 0.104 0.421 100 S N -0.823 114.921 115.700 0.072 0.000 2.554 100 S HA 0.291 nan 4.470 nan 0.000 0.278 100 S C 1.242 175.897 174.600 0.092 0.000 1.242 100 S CA -2.023 56.227 58.200 0.083 0.000 1.051 100 S CB 1.280 64.532 63.200 0.088 0.000 0.986 100 S HN -0.142 8.210 8.310 0.069 0.000 0.502 101 E N 6.421 126.689 120.200 0.113 0.000 2.409 101 E HA -0.220 nan 4.350 nan 0.000 0.198 101 E C 0.880 177.552 176.600 0.119 0.000 1.024 101 E CA 2.397 58.883 56.400 0.143 0.000 0.861 101 E CB -0.464 29.345 29.700 0.181 0.000 0.788 101 E HN 0.941 9.366 8.360 0.109 0.000 0.521 102 A N -1.787 121.093 122.820 0.100 0.000 2.275 102 A HA 0.136 nan 4.320 nan 0.000 0.212 102 A C -0.201 177.436 177.584 0.089 0.000 1.201 102 A CA -0.523 51.571 52.037 0.095 0.000 0.843 102 A CB 0.016 19.069 19.000 0.088 0.000 0.873 102 A HN -0.307 7.839 8.150 0.096 0.062 0.492 103 C N 1.769 121.118 119.300 0.081 0.000 2.634 103 C HA -0.035 nan 4.460 nan 0.000 0.418 103 C C -2.014 173.006 174.990 0.050 0.000 1.373 103 C CA -0.638 58.417 59.018 0.063 0.000 1.756 103 C CB -1.573 26.195 27.740 0.047 0.000 2.589 103 C HN -0.566 7.662 8.230 0.081 0.051 0.602 104 P HA 0.298 nan 4.420 nan 0.000 0.279 104 P C -1.790 175.492 177.300 -0.030 0.000 1.239 104 P CA -0.108 62.996 63.100 0.006 0.000 0.789 104 P CB 0.344 32.020 31.700 -0.040 0.000 0.933 105 L N 1.957 123.189 121.223 0.015 0.000 2.292 105 L HA 0.394 nan 4.340 nan 0.000 0.284 105 L C -0.248 176.601 176.870 -0.035 0.000 1.065 105 L CA -0.885 53.966 54.840 0.018 0.000 0.806 105 L CB 0.883 43.014 42.059 0.120 0.000 1.175 105 L HN 0.161 8.429 8.230 0.065 0.000 0.431 106 I N 3.529 124.049 120.570 -0.084 0.000 2.321 106 I HA 0.138 nan 4.170 nan 0.000 0.291 106 I C -1.291 174.817 176.117 -0.016 0.000 0.998 106 I CA -0.425 60.816 61.300 -0.100 0.000 1.227 106 I CB 0.365 38.279 38.000 -0.144 0.000 1.368 106 I HN 0.256 8.314 8.210 -0.080 0.105 0.466 107 L N 4.188 125.421 121.223 0.015 0.000 2.256 107 L HA 0.282 nan 4.340 nan 0.000 0.261 107 L C 0.629 177.244 176.870 -0.424 0.000 1.022 107 L CA -1.888 52.785 54.840 -0.278 0.000 0.828 107 L CB 2.087 43.930 42.059 -0.359 0.000 1.374 107 L HN 0.395 8.990 8.230 0.609 0.000 0.436 108 D N 1.057 121.296 120.400 -0.269 0.000 2.191 108 D HA -0.443 nan 4.640 nan 0.000 0.190 108 D C 1.549 177.744 176.300 -0.175 0.000 1.007 108 D CA 4.214 58.122 54.000 -0.153 0.000 0.865 108 D CB -0.177 40.605 40.800 -0.031 0.000 0.929 108 D HN 0.729 8.997 8.370 -0.171 0.000 0.447 109 Y N -4.907 115.320 120.300 -0.120 0.000 2.384 109 Y HA -0.260 nan 4.550 nan 0.000 0.289 109 Y C 1.956 177.706 175.900 -0.249 0.000 1.152 109 Y CA 1.435 59.428 58.100 -0.178 0.000 1.258 109 Y CB -1.327 37.025 38.460 -0.180 0.000 0.979 109 Y HN -0.104 7.990 8.280 -0.309 0.000 0.549 110 H N 0.044 118.882 119.070 -0.387 0.000 2.395 110 H HA -0.236 nan 4.556 nan 0.000 0.299 110 H C 2.266 177.504 175.328 -0.150 0.000 1.070 110 H CA 4.272 60.166 56.048 -0.256 0.000 1.356 110 H CB -0.043 29.539 29.762 -0.300 0.000 1.401 110 H HN 0.322 7.975 8.280 -0.769 0.166 0.524 111 V N -0.067 119.831 119.914 -0.027 0.000 2.358 111 V HA -0.436 nan 4.120 nan 0.000 0.246 111 V C 1.470 177.543 176.094 -0.034 0.000 1.047 111 V CA 3.789 66.076 62.300 -0.022 0.000 1.035 111 V CB -1.274 30.533 31.823 -0.026 0.000 0.658 111 V HN -0.477 7.666 8.190 -0.078 0.000 0.452 112 A N -0.314 122.485 122.820 -0.036 0.000 1.883 112 A HA -0.323 nan 4.320 nan 0.000 0.217 112 A C 1.826 179.367 177.584 -0.071 0.000 1.186 112 A CA 3.404 55.422 52.037 -0.031 0.000 0.624 112 A CB -0.780 18.223 19.000 0.005 0.000 0.822 112 A HN -0.165 7.960 8.150 -0.042 0.000 0.444 113 L N -1.796 119.381 121.223 -0.077 0.000 1.989 113 L HA -0.433 nan 4.340 nan 0.000 0.211 113 L C 2.126 178.890 176.870 -0.177 0.000 1.071 113 L CA 3.352 58.107 54.840 -0.142 0.000 0.749 113 L CB -0.829 41.183 42.059 -0.079 0.000 0.890 113 L HN -0.061 8.138 8.230 -0.051 0.000 0.431 114 D N -0.891 119.454 120.400 -0.092 0.000 2.116 114 D HA -0.371 nan 4.640 nan 0.000 0.193 114 D C 2.693 178.938 176.300 -0.091 0.000 0.998 114 D CA 3.406 57.361 54.000 -0.075 0.000 0.836 114 D CB -0.431 40.346 40.800 -0.039 0.000 0.951 114 D HN -0.273 8.064 8.370 -0.055 0.000 0.449 115 N N -0.946 117.705 118.700 -0.082 0.000 2.223 115 N HA -0.239 nan 4.740 nan 0.000 0.185 115 N C 2.299 177.754 175.510 -0.092 0.000 1.016 115 N CA 2.653 55.662 53.050 -0.068 0.000 0.863 115 N CB -0.297 38.163 38.487 -0.046 0.000 0.983 115 N HN -0.024 8.314 8.380 -0.070 0.000 0.429 116 A N 0.559 123.280 122.820 -0.165 0.000 1.930 116 A HA -0.091 nan 4.320 nan 0.000 0.215 116 A C 2.084 179.502 177.584 -0.277 0.000 1.176 116 A CA 2.704 54.605 52.037 -0.228 0.000 0.632 116 A CB -0.326 18.450 19.000 -0.374 0.000 0.819 116 A HN 0.246 8.181 8.150 -0.182 0.105 0.445 117 R N -2.950 117.352 120.500 -0.330 0.000 2.235 117 R HA -0.282 nan 4.340 nan 0.000 0.213 117 R C 1.801 178.079 176.300 -0.036 0.000 1.059 117 R CA 2.778 58.780 56.100 -0.163 0.000 0.997 117 R CB -0.053 30.172 30.300 -0.124 0.000 0.884 117 R HN 0.250 8.316 8.270 -0.341 0.000 0.462 118 E N -0.284 119.886 120.200 -0.050 0.000 2.042 118 E HA -0.191 nan 4.350 nan 0.000 0.189 118 E C 1.495 178.093 176.600 -0.004 0.000 0.974 118 E CA 2.683 59.070 56.400 -0.021 0.000 0.806 118 E CB 0.271 29.954 29.700 -0.028 0.000 0.769 118 E HN -0.345 7.828 8.360 -0.082 0.138 0.451 119 K N -2.594 117.801 120.400 -0.009 0.000 2.439 119 K HA -0.180 nan 4.320 nan 0.000 0.197 119 K C 0.965 177.582 176.600 0.028 0.000 1.041 119 K CA 1.486 57.776 56.287 0.006 0.000 0.970 119 K CB -0.129 32.371 32.500 -0.000 0.000 0.773 119 K HN -0.561 7.673 8.250 -0.027 0.000 0.479 120 A N -2.085 120.768 122.820 0.054 0.000 2.016 120 A HA -0.064 nan 4.320 nan 0.000 0.217 120 A C 0.917 178.546 177.584 0.076 0.000 1.162 120 A CA 1.588 53.688 52.037 0.105 0.000 0.662 120 A CB -0.092 19.059 19.000 0.251 0.000 0.812 120 A HN -0.486 7.645 8.150 0.037 0.041 0.450 121 R N -2.059 118.477 120.500 0.061 0.000 2.062 121 R HA -0.092 nan 4.340 nan 0.000 0.226 121 R C 1.039 177.355 176.300 0.027 0.000 1.125 121 R CA 1.671 57.797 56.100 0.044 0.000 0.966 121 R CB 0.720 31.039 30.300 0.033 0.000 0.861 121 R HN -0.680 7.597 8.270 0.054 0.025 0.433 122 G N -2.188 106.624 108.800 0.021 0.000 2.574 122 G HA2 -0.470 nan 3.960 nan 0.000 0.301 122 G HA3 -0.470 nan 3.960 nan 0.000 0.301 122 G C 0.468 175.376 174.900 0.013 0.000 1.166 122 G CA 1.157 46.265 45.100 0.014 0.000 0.971 122 G HN -0.439 7.864 8.290 0.022 0.000 0.542 123 A N 4.680 127.507 122.820 0.012 0.000 1.927 123 A HA -0.220 nan 4.320 nan 0.000 0.220 123 A C 1.123 178.715 177.584 0.015 0.000 1.185 123 A CA 2.515 54.560 52.037 0.012 0.000 0.639 123 A CB -0.259 18.748 19.000 0.011 0.000 0.820 123 A HN 0.365 8.522 8.150 0.011 0.000 0.451 124 K N -1.859 118.550 120.400 0.016 0.000 2.862 124 K HA 0.070 nan 4.320 nan 0.000 0.229 124 K C -0.924 175.684 176.600 0.013 0.000 1.107 124 K CA -1.329 54.967 56.287 0.016 0.000 1.222 124 K CB -0.363 32.146 32.500 0.016 0.000 1.067 124 K HN -0.325 7.925 8.250 0.016 0.010 0.464 125 A N -0.510 122.317 122.820 0.012 0.000 2.448 125 A HA -0.072 nan 4.320 nan 0.000 0.239 125 A C -0.157 177.430 177.584 0.004 0.000 1.080 125 A CA 0.769 52.811 52.037 0.008 0.000 0.779 125 A CB 0.597 19.601 19.000 0.007 0.000 1.026 125 A HN -0.332 7.728 8.150 0.013 0.099 0.499 126 I N -0.207 120.360 120.570 -0.006 0.000 3.035 126 I HA -0.105 nan 4.170 nan 0.000 0.271 126 I C 0.538 176.654 176.117 -0.000 0.000 1.190 126 I CA -0.106 61.185 61.300 -0.015 0.000 1.472 126 I CB 0.317 38.290 38.000 -0.044 0.000 1.116 126 I HN 0.374 8.580 8.210 -0.007 0.000 0.443 127 G N -0.780 108.018 108.800 -0.003 0.000 2.270 127 G HA2 -0.171 nan 3.960 nan 0.000 0.224 127 G HA3 -0.171 nan 3.960 nan 0.000 0.224 127 G C -1.246 173.646 174.900 -0.013 0.000 1.079 127 G CA -0.280 44.818 45.100 -0.003 0.000 0.807 127 G HN -0.390 7.897 8.290 -0.006 0.000 0.492 128 T N -2.351 112.191 114.554 -0.019 0.000 2.926 128 T HA -0.008 nan 4.350 nan 0.000 0.307 128 T C 1.063 175.743 174.700 -0.033 0.000 1.059 128 T CA 0.871 62.955 62.100 -0.027 0.000 1.122 128 T CB 0.581 69.433 68.868 -0.027 0.000 0.972 128 T HN -0.435 7.794 8.240 -0.017 0.000 0.545 129 T N 0.609 115.137 114.554 -0.043 0.000 3.088 129 T HA 0.108 nan 4.350 nan 0.000 0.259 129 T C 1.137 175.800 174.700 -0.062 0.000 1.122 129 T CA -0.320 61.743 62.100 -0.061 0.000 1.095 129 T CB -0.181 68.634 68.868 -0.088 0.000 0.930 129 T HN 0.127 8.341 8.240 -0.042 0.000 0.508 130 G N 2.550 111.320 108.800 -0.049 0.000 2.412 130 G HA2 -0.376 nan 3.960 nan 0.000 0.297 130 G HA3 -0.376 nan 3.960 nan 0.000 0.297 130 G C 0.001 174.880 174.900 -0.034 0.000 0.965 130 G CA 1.121 46.197 45.100 -0.040 0.000 1.134 130 G HN 0.069 8.290 8.290 -0.044 0.043 0.511 131 R N -1.390 119.082 120.500 -0.047 0.000 2.334 131 R HA 0.046 nan 4.340 nan 0.000 0.212 131 R C 0.082 176.415 176.300 0.056 0.000 0.897 131 R CA -0.699 55.398 56.100 -0.004 0.000 1.056 131 R CB 0.490 30.671 30.300 -0.199 0.000 1.046 131 R HN -0.371 7.895 8.270 -0.065 -0.035 0.513 132 G N -1.621 107.179 108.800 0.000 0.000 2.175 132 G HA2 -0.354 nan 3.960 nan 0.000 0.244 132 G HA3 -0.354 nan 3.960 nan 0.000 0.244 132 G C -0.027 174.820 174.900 -0.087 0.000 0.982 132 G CA 0.681 45.776 45.100 -0.009 0.000 0.641 132 G HN 0.277 9.050 8.290 -0.019 -0.495 0.527 133 I N 1.782 122.303 120.570 -0.081 0.000 2.127 133 I HA -0.499 nan 4.170 nan 0.000 0.241 133 I C 1.177 177.218 176.117 -0.127 0.000 1.075 133 I CA 3.910 65.117 61.300 -0.156 0.000 1.334 133 I CB -0.350 37.592 38.000 -0.097 0.000 1.040 133 I HN -0.243 7.863 8.210 -0.054 0.072 0.405 134 G N -1.313 107.494 108.800 0.012 0.000 2.459 134 G HA2 -0.195 nan 3.960 nan 0.000 0.217 134 G HA3 -0.195 nan 3.960 nan 0.000 0.217 134 G C -1.813 173.124 174.900 0.062 0.000 1.183 134 G CA 2.970 48.132 45.100 0.102 0.000 0.776 134 G HN 0.450 8.741 8.290 0.002 0.000 0.552 135 P HA -0.182 nan 4.420 nan 0.000 0.218 135 P C 0.735 177.965 177.300 -0.116 0.000 1.148 135 P CA 2.320 65.450 63.100 0.050 0.000 0.822 135 P CB -0.471 31.308 31.700 0.132 0.000 0.784 136 A N -2.028 120.537 122.820 -0.425 0.000 1.897 136 A HA -0.189 nan 4.320 nan 0.000 0.215 136 A C 2.238 179.697 177.584 -0.207 0.000 1.181 136 A CA 2.961 54.644 52.037 -0.590 0.000 0.620 136 A CB -0.646 17.964 19.000 -0.650 0.000 0.821 136 A HN -0.404 7.419 8.150 -0.378 0.100 0.443 137 Y N -1.953 118.301 120.300 -0.077 0.000 2.242 137 Y HA -0.390 nan 4.550 nan 0.000 0.291 137 Y C 1.911 177.823 175.900 0.020 0.000 1.137 137 Y CA 3.016 61.107 58.100 -0.015 0.000 1.181 137 Y CB -0.571 37.887 38.460 -0.004 0.000 0.989 137 Y HN -0.284 7.893 8.280 -0.172 0.000 0.527 138 E N 0.027 120.343 120.200 0.193 0.000 2.058 138 E HA -0.475 nan 4.350 nan 0.000 0.194 138 E C 2.354 179.055 176.600 0.169 0.000 0.997 138 E CA 3.514 60.016 56.400 0.169 0.000 0.801 138 E CB -0.240 29.566 29.700 0.178 0.000 0.746 138 E HN -0.074 8.389 8.360 0.171 0.000 0.450 139 D N -1.058 119.461 120.400 0.198 0.000 2.144 139 D HA -0.255 nan 4.640 nan 0.000 0.199 139 D C 2.301 178.683 176.300 0.136 0.000 0.984 139 D CA 3.013 57.141 54.000 0.213 0.000 0.834 139 D CB -0.453 40.554 40.800 0.345 0.000 0.955 139 D HN -0.315 8.171 8.370 0.192 0.000 0.465 140 K N 0.008 120.484 120.400 0.126 0.000 1.991 140 K HA -0.237 nan 4.320 nan 0.000 0.212 140 K C 2.738 179.395 176.600 0.094 0.000 1.049 140 K CA 3.085 59.439 56.287 0.112 0.000 0.932 140 K CB 0.261 32.842 32.500 0.136 0.000 0.717 140 K HN -0.602 7.639 8.250 0.124 0.084 0.441 141 V N -5.305 114.668 119.914 0.098 0.000 2.626 141 V HA -0.128 nan 4.120 nan 0.000 0.252 141 V C 1.447 177.570 176.094 0.048 0.000 1.067 141 V CA 2.505 64.845 62.300 0.067 0.000 1.081 141 V CB -0.717 31.142 31.823 0.060 0.000 0.686 141 V HN -0.418 7.846 8.190 0.123 0.000 0.468 142 A N -1.415 121.436 122.820 0.053 0.000 2.119 142 A HA -0.087 nan 4.320 nan 0.000 0.217 142 A C 0.237 177.820 177.584 -0.002 0.000 1.153 142 A CA 1.045 53.094 52.037 0.020 0.000 0.692 142 A CB 0.134 19.147 19.000 0.021 0.000 0.799 142 A HN -0.327 7.858 8.150 0.077 0.011 0.458 143 R N -5.023 115.490 120.500 0.022 0.000 3.532 143 R HA -0.301 nan 4.340 nan 0.000 0.284 143 R C 0.154 176.449 176.300 -0.008 0.000 1.140 143 R CA 1.340 57.449 56.100 0.015 0.000 0.768 143 R CB -2.847 27.457 30.300 0.008 0.000 1.252 143 R HN -0.157 7.964 8.270 0.047 0.178 0.454 144 R N -4.475 116.022 120.500 -0.004 0.000 2.509 144 R HA 0.267 nan 4.340 nan 0.000 0.297 144 R C -0.254 176.071 176.300 0.041 0.000 0.951 144 R CA -0.378 55.701 56.100 -0.035 0.000 1.103 144 R CB 0.596 30.814 30.300 -0.137 0.000 1.283 144 R HN -0.214 8.072 8.270 0.027 0.000 0.534 145 G N -0.539 108.320 108.800 0.098 0.000 2.621 145 G HA2 0.145 nan 3.960 nan 0.000 0.271 145 G HA3 0.145 nan 3.960 nan 0.000 0.271 145 G C -1.812 173.163 174.900 0.125 0.000 1.236 145 G CA -0.654 44.542 45.100 0.161 0.000 0.958 145 G HN -0.698 7.596 8.290 0.084 0.047 0.512 146 L N -2.494 118.825 121.223 0.160 0.000 2.341 146 L HA 0.779 nan 4.340 nan 0.000 0.267 146 L C -0.957 176.011 176.870 0.163 0.000 1.009 146 L CA -1.228 53.705 54.840 0.156 0.000 0.819 146 L CB 2.964 45.125 42.059 0.170 0.000 1.323 146 L HN 0.108 8.461 8.230 0.205 0.000 0.425 147 R N -0.967 119.635 120.500 0.170 0.000 2.950 147 R HA 0.676 nan 4.340 nan 0.000 0.253 147 R C 1.653 178.040 176.300 0.145 0.000 1.168 147 R CA -1.741 54.441 56.100 0.137 0.000 1.014 147 R CB 1.769 32.140 30.300 0.118 0.000 1.228 147 R HN 0.738 9.591 8.270 0.190 -0.469 0.487 148 V N 0.163 120.135 119.914 0.097 0.000 2.490 148 V HA -0.264 nan 4.120 nan 0.000 0.250 148 V C 1.894 178.029 176.094 0.069 0.000 1.061 148 V CA 4.211 66.542 62.300 0.052 0.000 1.064 148 V CB -0.796 31.043 31.823 0.028 0.000 0.670 148 V HN 0.566 8.808 8.190 0.087 0.000 0.461 149 G N -2.687 106.211 108.800 0.164 0.000 2.559 149 G HA2 -0.259 nan 3.960 nan 0.000 0.216 149 G HA3 -0.259 nan 3.960 nan 0.000 0.216 149 G C 0.889 175.963 174.900 0.289 0.000 1.126 149 G CA 1.562 46.840 45.100 0.296 0.000 0.778 149 G HN 0.385 8.687 8.290 0.152 0.079 0.543 150 D N 2.473 123.008 120.400 0.224 0.000 2.269 150 D HA -0.068 nan 4.640 nan 0.000 0.208 150 D C 1.663 178.096 176.300 0.223 0.000 0.963 150 D CA 2.603 56.770 54.000 0.279 0.000 0.864 150 D CB -0.086 40.951 40.800 0.395 0.000 0.936 150 D HN -0.370 7.964 8.370 0.203 0.158 0.505 151 L N -1.957 119.272 121.223 0.010 0.000 2.633 151 L HA -0.227 nan 4.340 nan 0.000 0.235 151 L C 0.578 177.304 176.870 -0.239 0.000 1.163 151 L CA 1.202 55.895 54.840 -0.244 0.000 0.859 151 L CB -0.788 41.040 42.059 -0.385 0.000 0.973 151 L HN -0.648 7.453 8.230 0.015 0.138 0.451 152 F N -2.505 117.451 119.950 0.010 0.000 2.569 152 F HA -0.099 nan 4.527 nan 0.000 0.295 152 F C 0.322 176.138 175.800 0.027 0.000 1.115 152 F CA 1.708 59.716 58.000 0.013 0.000 1.450 152 F CB 1.162 40.176 39.000 0.023 0.000 1.107 152 F HN -0.963 7.351 8.300 0.186 0.099 0.563 153 D N -0.064 120.464 120.400 0.215 0.000 2.438 153 D HA 0.216 nan 4.640 nan 0.000 0.257 153 D C -0.084 176.309 176.300 0.156 0.000 1.148 153 D CA -1.170 52.930 54.000 0.166 0.000 0.902 153 D CB -0.213 40.683 40.800 0.159 0.000 1.062 153 D HN -0.422 8.052 8.370 0.214 0.025 0.518 154 K N 3.946 124.408 120.400 0.103 0.000 2.103 154 K HA -0.356 nan 4.320 nan 0.000 0.207 154 K C 1.783 178.485 176.600 0.170 0.000 1.048 154 K CA 3.624 59.970 56.287 0.098 0.000 0.930 154 K CB -0.052 32.463 32.500 0.024 0.000 0.716 154 K HN 0.497 8.797 8.250 0.083 0.000 0.444 155 E N -0.426 119.855 120.200 0.136 0.000 2.015 155 E HA -0.278 nan 4.350 nan 0.000 0.191 155 E C 2.542 179.229 176.600 0.145 0.000 0.991 155 E CA 2.999 59.475 56.400 0.128 0.000 0.802 155 E CB -0.307 29.447 29.700 0.090 0.000 0.759 155 E HN -0.051 8.376 8.360 0.112 0.000 0.447 156 T N 2.799 117.434 114.554 0.135 0.000 2.699 156 T HA -0.300 nan 4.350 nan 0.000 0.268 156 T C 1.596 176.378 174.700 0.137 0.000 1.036 156 T CA 4.644 66.814 62.100 0.115 0.000 1.147 156 T CB -0.701 68.234 68.868 0.111 0.000 0.862 156 T HN -0.257 8.366 8.240 0.128 -0.306 0.446 157 F N 2.124 122.117 119.950 0.070 0.000 2.069 157 F HA -0.525 nan 4.527 nan 0.000 0.298 157 F C 0.401 176.263 175.800 0.103 0.000 1.113 157 F CA 3.484 61.531 58.000 0.078 0.000 1.214 157 F CB -0.101 38.936 39.000 0.062 0.000 0.978 157 F HN -0.292 8.211 8.300 0.332 -0.004 0.474 158 A N -2.260 120.752 122.820 0.319 0.000 1.917 158 A HA -0.407 nan 4.320 nan 0.000 0.219 158 A C 2.778 180.458 177.584 0.160 0.000 1.182 158 A CA 3.224 55.428 52.037 0.278 0.000 0.633 158 A CB -1.097 18.075 19.000 0.287 0.000 0.819 158 A HN -0.166 8.230 8.150 0.409 0.000 0.448 159 E N -1.530 118.715 120.200 0.076 0.000 2.047 159 E HA -0.353 nan 4.350 nan 0.000 0.191 159 E C 2.442 179.011 176.600 -0.052 0.000 0.987 159 E CA 3.134 59.538 56.400 0.007 0.000 0.799 159 E CB -0.147 29.559 29.700 0.011 0.000 0.752 159 E HN -0.320 8.022 8.360 0.101 0.078 0.449 160 K N -0.394 119.955 120.400 -0.085 0.000 2.057 160 K HA -0.283 nan 4.320 nan 0.000 0.207 160 K C 2.569 179.069 176.600 -0.167 0.000 1.049 160 K CA 3.015 59.225 56.287 -0.128 0.000 0.931 160 K CB -0.040 32.372 32.500 -0.147 0.000 0.714 160 K HN 0.137 8.241 8.250 -0.063 0.108 0.440 161 L N -0.905 120.170 121.223 -0.246 0.000 2.079 161 L HA -0.381 nan 4.340 nan 0.000 0.210 161 L C 1.153 178.034 176.870 0.018 0.000 1.081 161 L CA 3.298 58.055 54.840 -0.138 0.000 0.752 161 L CB -0.259 41.723 42.059 -0.128 0.000 0.896 161 L HN 0.478 8.384 8.230 -0.361 0.108 0.433 162 K N -1.038 119.356 120.400 -0.010 0.000 2.026 162 K HA -0.445 nan 4.320 nan 0.000 0.208 162 K C 1.940 178.434 176.600 -0.178 0.000 1.048 162 K CA 3.832 59.974 56.287 -0.241 0.000 0.929 162 K CB -0.364 31.884 32.500 -0.419 0.000 0.713 162 K HN -0.499 7.758 8.250 0.024 0.007 0.439 163 E N -0.615 119.500 120.200 -0.142 0.000 2.077 163 E HA -0.355 nan 4.350 nan 0.000 0.193 163 E C 2.580 179.100 176.600 -0.133 0.000 0.989 163 E CA 3.235 59.558 56.400 -0.129 0.000 0.800 163 E CB 0.027 29.657 29.700 -0.117 0.000 0.746 163 E HN -0.708 7.575 8.360 -0.129 0.000 0.452 164 V N -0.306 119.520 119.914 -0.147 0.000 2.358 164 V HA -0.352 nan 4.120 nan 0.000 0.246 164 V C 2.103 178.047 176.094 -0.250 0.000 1.047 164 V CA 4.294 66.484 62.300 -0.183 0.000 1.035 164 V CB -0.930 30.828 31.823 -0.107 0.000 0.658 164 V HN -0.430 7.680 8.190 -0.132 0.000 0.452 165 M N -1.177 118.261 119.600 -0.269 0.000 2.175 165 M HA -0.467 nan 4.480 nan 0.000 0.264 165 M C 2.157 178.392 176.300 -0.109 0.000 1.063 165 M CA 4.429 59.565 55.300 -0.274 0.000 1.119 165 M CB -0.491 32.031 32.600 -0.130 0.000 1.377 165 M HN 0.142 8.308 8.290 -0.207 0.000 0.415 166 E N -0.036 120.112 120.200 -0.086 0.000 2.058 166 E HA -0.409 nan 4.350 nan 0.000 0.194 166 E C 2.276 178.887 176.600 0.019 0.000 0.997 166 E CA 3.183 59.563 56.400 -0.033 0.000 0.801 166 E CB -0.203 29.461 29.700 -0.061 0.000 0.746 166 E HN 0.289 8.474 8.360 -0.115 0.106 0.450 167 Y N 0.606 120.803 120.300 -0.171 0.000 2.145 167 Y HA -0.489 nan 4.550 nan 0.000 0.286 167 Y C 2.138 177.979 175.900 -0.097 0.000 1.145 167 Y CA 3.817 61.806 58.100 -0.185 0.000 1.148 167 Y CB 0.109 38.381 38.460 -0.313 0.000 0.981 167 Y HN -0.536 7.758 8.280 0.023 0.000 0.507 168 H N -2.141 116.915 119.070 -0.023 0.000 2.389 168 H HA -0.269 nan 4.556 nan 0.000 0.299 168 H C 2.923 178.236 175.328 -0.025 0.000 1.081 168 H CA 3.506 59.508 56.048 -0.077 0.000 1.345 168 H CB -0.275 29.462 29.762 -0.043 0.000 1.393 168 H HN -0.078 8.086 8.280 -0.193 0.000 0.520 169 N N 0.041 118.800 118.700 0.098 0.000 2.166 169 N HA -0.312 nan 4.740 nan 0.000 0.186 169 N C 1.807 177.370 175.510 0.088 0.000 1.019 169 N CA 3.323 56.427 53.050 0.091 0.000 0.856 169 N CB -0.430 38.100 38.487 0.071 0.000 0.993 169 N HN 0.201 8.504 8.380 0.054 0.109 0.426 170 F N 1.523 121.440 119.950 -0.056 0.000 2.043 170 F HA -0.472 nan 4.527 nan 0.000 0.297 170 F C 1.406 177.179 175.800 -0.045 0.000 1.121 170 F CA 4.231 62.192 58.000 -0.065 0.000 1.199 170 F CB 0.101 39.032 39.000 -0.115 0.000 0.968 170 F HN -0.188 8.231 8.300 0.200 0.001 0.478 171 Q N -0.728 119.108 119.800 0.061 0.000 2.096 171 Q HA -0.417 nan 4.340 nan 0.000 0.204 171 Q C 2.442 178.539 176.000 0.162 0.000 0.982 171 Q CA 3.509 59.343 55.803 0.053 0.000 0.850 171 Q CB -0.110 28.652 28.738 0.040 0.000 0.901 171 Q HN -0.578 7.742 8.270 0.082 0.000 0.422 172 L N -1.231 120.093 121.223 0.167 0.000 2.005 172 L HA -0.384 nan 4.340 nan 0.000 0.207 172 L C 2.138 179.062 176.870 0.090 0.000 1.072 172 L CA 3.441 58.396 54.840 0.190 0.000 0.744 172 L CB -0.001 42.134 42.059 0.127 0.000 0.895 172 L HN 0.037 8.276 8.230 0.135 0.072 0.433 173 V N -0.845 119.063 119.914 -0.010 0.000 2.323 173 V HA -0.483 nan 4.120 nan 0.000 0.244 173 V C 2.251 178.265 176.094 -0.132 0.000 1.041 173 V CA 4.349 66.611 62.300 -0.063 0.000 1.025 173 V CB -0.782 30.992 31.823 -0.082 0.000 0.656 173 V HN 0.571 8.751 8.190 -0.015 0.000 0.451 174 N N -1.919 116.622 118.700 -0.264 0.000 2.220 174 N HA -0.121 nan 4.740 nan 0.000 0.182 174 N C 2.136 177.531 175.510 -0.192 0.000 1.023 174 N CA 2.767 55.633 53.050 -0.307 0.000 0.856 174 N CB 0.332 38.445 38.487 -0.623 0.000 0.997 174 N HN 0.123 8.302 8.380 -0.335 0.000 0.429 175 Y N 1.601 121.724 120.300 -0.295 0.000 2.201 175 Y HA -0.223 nan 4.550 nan 0.000 0.292 175 Y C 1.595 177.269 175.900 -0.376 0.000 1.119 175 Y CA 3.816 61.704 58.100 -0.353 0.000 1.127 175 Y CB 0.664 38.843 38.460 -0.470 0.000 1.019 175 Y HN -0.526 7.609 8.280 -0.078 0.098 0.514 176 Y N -4.349 115.985 120.300 0.056 0.000 2.544 176 Y HA -0.135 nan 4.550 nan 0.000 0.286 176 Y C -0.539 175.326 175.900 -0.058 0.000 1.141 176 Y CA 1.434 59.530 58.100 -0.006 0.000 1.299 176 Y CB 0.220 38.727 38.460 0.079 0.000 1.030 176 Y HN -0.412 7.908 8.280 0.066 0.000 0.543 177 K N -4.830 115.586 120.400 0.027 0.000 3.148 177 K HA -0.380 nan 4.320 nan 0.000 0.267 177 K C -1.145 175.475 176.600 0.032 0.000 0.996 177 K CA 0.280 56.562 56.287 -0.008 0.000 0.737 177 K CB -2.258 30.213 32.500 -0.048 0.000 1.308 177 K HN -0.378 7.828 8.250 0.002 0.045 0.470 178 A N -1.299 121.562 122.820 0.068 0.000 2.373 178 A HA 0.247 nan 4.320 nan 0.000 0.291 178 A C -1.756 175.850 177.584 0.036 0.000 1.171 178 A CA -0.474 51.596 52.037 0.055 0.000 0.922 178 A CB 1.655 20.698 19.000 0.071 0.000 1.400 178 A HN 0.122 8.211 8.150 0.095 0.118 0.474 179 E N -1.146 119.072 120.200 0.030 0.000 2.392 179 E HA 0.301 nan 4.350 nan 0.000 0.256 179 E C -1.406 175.217 176.600 0.039 0.000 1.145 179 E CA -0.323 56.094 56.400 0.027 0.000 0.929 179 E CB 0.487 30.202 29.700 0.024 0.000 0.998 179 E HN 0.303 8.680 8.360 0.028 0.000 0.442 180 A N -0.522 122.322 122.820 0.039 0.000 2.252 180 A HA 0.374 nan 4.320 nan 0.000 0.305 180 A C -1.149 176.474 177.584 0.064 0.000 1.097 180 A CA -0.630 51.438 52.037 0.053 0.000 0.849 180 A CB 1.863 20.891 19.000 0.047 0.000 1.142 180 A HN 0.088 8.257 8.150 0.032 0.000 0.499 181 V N -0.293 119.672 119.914 0.085 0.000 2.459 181 V HA 0.078 nan 4.120 nan 0.000 0.295 181 V C -1.085 175.074 176.094 0.110 0.000 1.029 181 V CA -0.696 61.664 62.300 0.101 0.000 0.874 181 V CB 1.895 33.808 31.823 0.150 0.000 0.985 181 V HN 0.500 9.198 8.190 0.090 -0.455 0.438 182 D N 6.314 126.771 120.400 0.094 0.000 2.358 182 D HA -0.030 nan 4.640 nan 0.000 0.258 182 D C 0.099 176.475 176.300 0.127 0.000 1.223 182 D CA -0.127 53.936 54.000 0.105 0.000 0.886 182 D CB 1.220 42.063 40.800 0.072 0.000 1.120 182 D HN 0.104 8.519 8.370 0.076 0.000 0.482 183 Y N 8.960 129.289 120.300 0.048 0.000 2.114 183 Y HA -0.531 nan 4.550 nan 0.000 0.282 183 Y C 1.268 177.208 175.900 0.066 0.000 1.165 183 Y CA 4.592 62.722 58.100 0.051 0.000 1.148 183 Y CB 0.263 38.737 38.460 0.023 0.000 0.972 183 Y HN 0.491 8.931 8.280 0.267 0.000 0.504 184 Q N -2.208 117.533 119.800 -0.099 0.000 2.124 184 Q HA -0.362 nan 4.340 nan 0.000 0.202 184 Q C 2.032 177.947 176.000 -0.141 0.000 0.977 184 Q CA 3.008 58.702 55.803 -0.182 0.000 0.850 184 Q CB -0.752 27.995 28.738 0.015 0.000 0.901 184 Q HN 0.139 8.576 8.270 0.148 -0.078 0.429 185 K N 0.165 120.529 120.400 -0.060 0.000 2.026 185 K HA -0.309 nan 4.320 nan 0.000 0.208 185 K C 2.094 178.665 176.600 -0.047 0.000 1.048 185 K CA 3.570 59.836 56.287 -0.035 0.000 0.929 185 K CB -0.035 32.465 32.500 -0.001 0.000 0.713 185 K HN -0.466 8.046 8.250 -0.017 -0.272 0.439 186 V N 0.211 120.101 119.914 -0.040 0.000 2.343 186 V HA -0.352 nan 4.120 nan 0.000 0.247 186 V C 2.249 178.328 176.094 -0.025 0.000 1.051 186 V CA 4.138 66.438 62.300 0.001 0.000 1.036 186 V CB -0.900 30.980 31.823 0.095 0.000 0.654 186 V HN -0.427 7.746 8.190 -0.030 0.000 0.451 187 L N -0.127 120.997 121.223 -0.164 0.000 1.994 187 L HA -0.410 nan 4.340 nan 0.000 0.208 187 L C 1.307 178.134 176.870 -0.072 0.000 1.071 187 L CA 3.752 58.511 54.840 -0.136 0.000 0.745 187 L CB -0.593 41.219 42.059 -0.413 0.000 0.892 187 L HN 0.310 8.357 8.230 -0.305 0.000 0.431 188 D N -0.873 119.474 120.400 -0.088 0.000 2.097 188 D HA -0.358 nan 4.640 nan 0.000 0.195 188 D C 2.658 178.927 176.300 -0.052 0.000 0.989 188 D CA 3.511 57.477 54.000 -0.057 0.000 0.827 188 D CB -0.858 39.915 40.800 -0.045 0.000 0.966 188 D HN 0.329 8.518 8.370 -0.119 0.110 0.456 189 D N -0.499 119.874 120.400 -0.045 0.000 2.104 189 D HA -0.232 nan 4.640 nan 0.000 0.194 189 D C 2.539 178.804 176.300 -0.058 0.000 0.994 189 D CA 3.079 57.053 54.000 -0.043 0.000 0.830 189 D CB -0.170 40.611 40.800 -0.032 0.000 0.959 189 D HN 0.149 8.492 8.370 -0.044 0.000 0.452 190 T N 2.127 116.647 114.554 -0.057 0.000 2.770 190 T HA -0.202 nan 4.350 nan 0.000 0.263 190 T C 1.960 176.556 174.700 -0.173 0.000 1.039 190 T CA 3.945 65.981 62.100 -0.106 0.000 1.142 190 T CB -0.090 68.729 68.868 -0.082 0.000 0.868 190 T HN -0.408 7.815 8.240 -0.029 0.000 0.435 191 M N 1.117 120.622 119.600 -0.157 0.000 2.346 191 M HA -0.363 nan 4.480 nan 0.000 0.263 191 M C 1.348 177.577 176.300 -0.119 0.000 1.064 191 M CA 2.274 57.480 55.300 -0.157 0.000 1.083 191 M CB -0.659 31.883 32.600 -0.096 0.000 1.399 191 M HN 0.209 8.432 8.290 -0.111 0.000 0.435 192 A N -2.751 120.012 122.820 -0.095 0.000 1.968 192 A HA -0.034 nan 4.320 nan 0.000 0.217 192 A C 1.294 178.829 177.584 -0.082 0.000 1.169 192 A CA 2.574 54.566 52.037 -0.075 0.000 0.638 192 A CB -0.254 18.711 19.000 -0.058 0.000 0.812 192 A HN -0.383 7.575 8.150 -0.090 0.138 0.446 193 V N -7.940 111.914 119.914 -0.100 0.000 3.644 193 V HA 0.355 nan 4.120 nan 0.000 0.267 193 V C 1.330 177.344 176.094 -0.134 0.000 1.277 193 V CA -0.467 61.773 62.300 -0.101 0.000 1.096 193 V CB -0.516 31.253 31.823 -0.090 0.000 0.828 193 V HN -0.528 7.490 8.190 -0.110 0.105 0.446 194 A N 2.034 124.749 122.820 -0.176 0.000 1.870 194 A HA -0.505 nan 4.320 nan 0.000 0.219 194 A C 1.180 178.637 177.584 -0.211 0.000 1.224 194 A CA 3.982 55.880 52.037 -0.233 0.000 0.650 194 A CB -0.989 17.846 19.000 -0.275 0.000 0.836 194 A HN 0.517 8.561 8.150 -0.176 0.000 0.454 195 D N -2.251 118.052 120.400 -0.161 0.000 2.158 195 D HA -0.313 nan 4.640 nan 0.000 0.197 195 D C 2.393 178.626 176.300 -0.113 0.000 0.995 195 D CA 3.261 57.182 54.000 -0.132 0.000 0.846 195 D CB -0.596 40.153 40.800 -0.085 0.000 0.941 195 D HN 0.259 8.544 8.370 -0.142 0.000 0.456 196 I N -0.323 120.188 120.570 -0.098 0.000 2.142 196 I HA -0.453 nan 4.170 nan 0.000 0.240 196 I C 2.019 178.085 176.117 -0.085 0.000 1.078 196 I CA 3.239 64.494 61.300 -0.075 0.000 1.343 196 I CB -0.038 37.923 38.000 -0.065 0.000 1.046 196 I HN -0.880 7.172 8.210 -0.101 0.097 0.405 197 L N -1.279 119.876 121.223 -0.113 0.000 1.989 197 L HA -0.453 nan 4.340 nan 0.000 0.211 197 L C 2.858 179.643 176.870 -0.141 0.000 1.071 197 L CA 3.414 58.184 54.840 -0.116 0.000 0.749 197 L CB -0.655 41.321 42.059 -0.138 0.000 0.890 197 L HN 0.025 8.180 8.230 -0.125 0.000 0.431 198 T N -3.647 110.759 114.554 -0.247 0.000 2.881 198 T HA -0.285 nan 4.350 nan 0.000 0.270 198 T C 2.661 177.297 174.700 -0.107 0.000 1.068 198 T CA 3.751 65.632 62.100 -0.365 0.000 1.131 198 T CB -0.725 67.675 68.868 -0.780 0.000 0.871 198 T HN 0.463 8.544 8.240 -0.265 0.000 0.479 199 S N 3.660 119.321 115.700 -0.066 0.000 2.515 199 S HA -0.115 nan 4.470 nan 0.000 0.231 199 S C 0.614 175.228 174.600 0.023 0.000 0.987 199 S CA 2.766 60.968 58.200 0.003 0.000 0.936 199 S CB -0.408 62.787 63.200 -0.009 0.000 0.766 199 S HN -0.269 7.866 8.310 -0.098 0.115 0.528 200 M N 0.031 119.637 119.600 0.010 0.000 2.356 200 M HA 0.135 nan 4.480 nan 0.000 0.262 200 M C -1.584 174.746 176.300 0.050 0.000 1.097 200 M CA -0.195 55.120 55.300 0.025 0.000 0.991 200 M CB 1.528 34.133 32.600 0.010 0.000 1.450 200 M HN -0.589 7.526 8.290 -0.017 0.165 0.495 201 V N 0.985 120.947 119.914 0.080 0.000 2.508 201 V HA 0.329 nan 4.120 nan 0.000 0.281 201 V C -0.901 175.265 176.094 0.119 0.000 1.041 201 V CA 1.474 63.849 62.300 0.124 0.000 1.016 201 V CB -0.029 31.931 31.823 0.229 0.000 0.984 201 V HN -0.666 7.395 8.190 0.079 0.176 0.478 202 V N 5.582 125.550 119.914 0.091 0.000 3.159 202 V HA 0.325 nan 4.120 nan 0.000 0.308 202 V C -1.963 174.163 176.094 0.053 0.000 1.190 202 V CA -2.063 60.276 62.300 0.065 0.000 1.037 202 V CB 4.805 36.658 31.823 0.051 0.000 1.060 202 V HN 0.398 8.640 8.190 0.087 0.000 0.437 203 D N 4.386 124.806 120.400 0.034 0.000 2.498 203 D HA 0.044 nan 4.640 nan 0.000 0.229 203 D C 0.783 177.094 176.300 0.018 0.000 1.188 203 D CA -0.013 54.003 54.000 0.026 0.000 1.028 203 D CB -0.927 39.880 40.800 0.013 0.000 1.087 203 D HN 0.026 8.413 8.370 0.028 0.000 0.510 204 V N 4.362 124.294 119.914 0.029 0.000 2.332 204 V HA -0.447 nan 4.120 nan 0.000 0.248 204 V C 1.352 177.455 176.094 0.015 0.000 1.055 204 V CA 3.305 65.616 62.300 0.018 0.000 1.038 204 V CB -0.534 31.318 31.823 0.048 0.000 0.651 204 V HN -0.024 8.165 8.190 0.044 0.027 0.450 205 S N -1.728 113.994 115.700 0.035 0.000 2.402 205 S HA -0.377 nan 4.470 nan 0.000 0.229 205 S C 1.803 176.417 174.600 0.022 0.000 1.021 205 S CA 3.133 61.359 58.200 0.043 0.000 0.974 205 S CB -0.325 62.907 63.200 0.052 0.000 0.800 205 S HN -0.042 8.374 8.310 0.040 -0.082 0.484 206 D N 2.660 123.064 120.400 0.007 0.000 2.162 206 D HA -0.118 nan 4.640 nan 0.000 0.203 206 D C 1.614 177.894 176.300 -0.034 0.000 0.967 206 D CA 2.483 56.480 54.000 -0.006 0.000 0.840 206 D CB 0.401 41.200 40.800 -0.002 0.000 0.972 206 D HN -0.745 7.859 8.370 0.010 -0.228 0.482 207 L N 0.569 121.759 121.223 -0.054 0.000 1.989 207 L HA -0.379 nan 4.340 nan 0.000 0.211 207 L C 1.650 178.410 176.870 -0.183 0.000 1.071 207 L CA 3.536 58.306 54.840 -0.118 0.000 0.749 207 L CB -0.017 41.954 42.059 -0.147 0.000 0.890 207 L HN -0.318 7.891 8.230 -0.036 0.000 0.431 208 L N -3.751 117.384 121.223 -0.146 0.000 2.201 208 L HA -0.436 nan 4.340 nan 0.000 0.212 208 L C 2.368 179.206 176.870 -0.053 0.000 1.105 208 L CA 2.907 57.679 54.840 -0.114 0.000 0.775 208 L CB -0.706 41.362 42.059 0.015 0.000 0.913 208 L HN -0.033 8.139 8.230 -0.097 0.000 0.440 209 D N -0.687 119.690 120.400 -0.038 0.000 2.149 209 D HA -0.206 nan 4.640 nan 0.000 0.201 209 D C 2.087 178.339 176.300 -0.079 0.000 0.972 209 D CA 3.284 57.252 54.000 -0.053 0.000 0.835 209 D CB 0.149 40.938 40.800 -0.018 0.000 0.966 209 D HN -0.577 7.665 8.370 -0.029 0.111 0.476 210 Q N -1.031 118.729 119.800 -0.066 0.000 2.079 210 Q HA -0.287 nan 4.340 nan 0.000 0.200 210 Q C 2.585 178.556 176.000 -0.049 0.000 0.974 210 Q CA 2.421 58.192 55.803 -0.053 0.000 0.840 210 Q CB -0.565 28.150 28.738 -0.039 0.000 0.898 210 Q HN 0.144 8.376 8.270 -0.063 0.000 0.430 211 A N -0.515 122.265 122.820 -0.067 0.000 1.940 211 A HA -0.336 nan 4.320 nan 0.000 0.219 211 A C 1.816 179.395 177.584 -0.008 0.000 1.176 211 A CA 3.077 55.105 52.037 -0.015 0.000 0.631 211 A CB -0.792 18.156 19.000 -0.086 0.000 0.814 211 A HN 0.520 8.601 8.150 -0.115 0.000 0.446 212 R N -1.394 119.077 120.500 -0.048 0.000 2.070 212 R HA -0.363 nan 4.340 nan 0.000 0.233 212 R C 2.956 179.201 176.300 -0.091 0.000 1.137 212 R CA 3.355 59.408 56.100 -0.078 0.000 0.945 212 R CB -0.235 29.941 30.300 -0.207 0.000 0.845 212 R HN -0.408 7.735 8.270 -0.067 0.087 0.430 213 Q N -0.877 118.861 119.800 -0.102 0.000 2.226 213 Q HA -0.241 nan 4.340 nan 0.000 0.204 213 Q C 2.165 178.135 176.000 -0.050 0.000 0.975 213 Q CA 2.765 58.520 55.803 -0.081 0.000 0.866 213 Q CB -0.114 28.581 28.738 -0.072 0.000 0.915 213 Q HN -0.256 7.949 8.270 -0.109 0.000 0.440 214 R N -3.659 116.817 120.500 -0.039 0.000 2.297 214 R HA 0.050 nan 4.340 nan 0.000 0.197 214 R C 0.322 176.593 176.300 -0.049 0.000 0.943 214 R CA -0.002 56.076 56.100 -0.037 0.000 1.038 214 R CB 0.333 30.617 30.300 -0.026 0.000 0.957 214 R HN -0.289 7.857 8.270 -0.037 0.103 0.484 215 G N -0.730 108.051 108.800 -0.031 0.000 2.176 215 G HA2 -0.448 nan 3.960 nan 0.000 0.252 215 G HA3 -0.448 nan 3.960 nan 0.000 0.252 215 G C -0.334 174.514 174.900 -0.086 0.000 1.024 215 G CA 0.124 45.208 45.100 -0.028 0.000 0.755 215 G HN -0.445 7.653 8.290 -0.023 0.178 0.507 216 D N 0.652 121.028 120.400 -0.039 0.000 2.382 216 D HA -0.094 nan 4.640 nan 0.000 0.245 216 D C -0.134 176.205 176.300 0.065 0.000 1.120 216 D CA 0.701 54.662 54.000 -0.065 0.000 0.890 216 D CB 0.858 41.720 40.800 0.103 0.000 1.201 216 D HN -0.111 8.245 8.370 0.006 0.017 0.433 217 F N 0.345 120.233 119.950 -0.102 0.000 2.506 217 F HA -0.025 nan 4.527 nan 0.000 0.371 217 F C -0.248 175.524 175.800 -0.047 0.000 1.078 217 F CA -1.233 56.642 58.000 -0.209 0.000 1.195 217 F CB 0.165 38.690 39.000 -0.791 0.000 1.099 217 F HN -0.044 8.076 8.300 -0.301 0.000 0.548 218 V N 5.863 125.988 119.914 0.353 0.000 2.540 218 V HA 0.651 nan 4.120 nan 0.000 0.302 218 V C -2.074 174.159 176.094 0.231 0.000 1.035 218 V CA -1.564 60.863 62.300 0.212 0.000 0.873 218 V CB 2.711 34.571 31.823 0.062 0.000 0.992 218 V HN 0.711 9.186 8.190 0.474 0.000 0.428 219 M N 5.556 125.217 119.600 0.103 0.000 2.364 219 M HA 0.784 nan 4.480 nan 0.000 0.334 219 M C -2.125 174.122 176.300 -0.087 0.000 1.107 219 M CA -1.563 53.817 55.300 0.135 0.000 0.988 219 M CB 3.747 36.484 32.600 0.229 0.000 1.673 219 M HN 0.456 8.777 8.290 0.050 0.000 0.441 220 F N 4.745 124.799 119.950 0.173 0.000 2.427 220 F HA 0.585 nan 4.527 nan 0.000 0.346 220 F C -1.869 174.100 175.800 0.281 0.000 1.120 220 F CA -1.046 57.086 58.000 0.220 0.000 1.033 220 F CB 1.650 40.701 39.000 0.085 0.000 1.126 220 F HN 1.143 9.568 8.300 0.403 0.117 0.462 221 E N 4.509 124.978 120.200 0.448 0.000 2.133 221 E HA 0.546 nan 4.350 nan 0.000 0.274 221 E C -0.764 175.957 176.600 0.201 0.000 0.930 221 E CA -1.817 54.752 56.400 0.282 0.000 0.770 221 E CB 3.028 32.818 29.700 0.150 0.000 1.104 221 E HN 0.655 9.282 8.360 0.445 0.000 0.403 222 G N 3.677 112.589 108.800 0.187 0.000 2.338 222 G HA2 0.326 nan 3.960 nan 0.000 0.298 222 G HA3 0.326 nan 3.960 nan 0.000 0.298 222 G C -1.417 173.477 174.900 -0.010 0.000 1.140 222 G CA -1.094 44.011 45.100 0.007 0.000 0.860 222 G HN 0.260 8.688 8.290 0.230 0.000 0.470 223 A N 5.274 128.048 122.820 -0.076 0.000 1.897 223 A HA -0.135 nan 4.320 nan 0.000 0.215 223 A C -0.102 177.486 177.584 0.007 0.000 1.181 223 A CA 2.420 54.446 52.037 -0.018 0.000 0.620 223 A CB 0.652 19.633 19.000 -0.033 0.000 0.821 223 A HN 0.714 9.152 8.150 -0.179 -0.396 0.443 224 Q N -2.911 116.889 119.800 0.000 0.000 2.572 224 Q HA 0.175 nan 4.340 nan 0.000 0.284 224 Q C -0.670 175.339 176.000 0.015 0.000 1.091 224 Q CA -2.244 53.566 55.803 0.013 0.000 0.840 224 Q CB 3.119 31.865 28.738 0.013 0.000 1.433 224 Q HN -0.494 7.767 8.270 -0.014 0.000 0.471 225 G N -1.633 107.174 108.800 0.013 0.000 2.483 225 G HA2 -0.017 nan 3.960 nan 0.000 0.248 225 G HA3 -0.017 nan 3.960 nan 0.000 0.248 225 G C 0.491 175.373 174.900 -0.031 0.000 1.248 225 G CA -0.603 44.487 45.100 -0.016 0.000 0.838 225 G HN 0.087 8.391 8.290 0.024 0.000 0.566 226 T N 6.544 121.058 114.554 -0.068 0.000 2.635 226 T HA -0.395 nan 4.350 nan 0.000 0.267 226 T C 2.560 177.221 174.700 -0.065 0.000 1.040 226 T CA 4.939 67.002 62.100 -0.062 0.000 1.156 226 T CB -0.080 68.738 68.868 -0.084 0.000 0.863 226 T HN 0.020 8.213 8.240 -0.078 0.000 0.430 227 L N -1.263 119.851 121.223 -0.183 0.000 2.549 227 L HA -0.197 nan 4.340 nan 0.000 0.229 227 L C 0.605 177.518 176.870 0.071 0.000 1.158 227 L CA 2.195 56.959 54.840 -0.127 0.000 0.842 227 L CB -0.633 41.117 42.059 -0.514 0.000 0.952 227 L HN -0.334 7.707 8.230 -0.315 0.000 0.452 228 L N -3.361 117.904 121.223 0.070 0.000 2.628 228 L HA -0.022 nan 4.340 nan 0.000 0.229 228 L C -0.543 176.373 176.870 0.076 0.000 1.137 228 L CA -0.916 53.989 54.840 0.109 0.000 0.909 228 L CB -0.334 41.785 42.059 0.100 0.000 1.137 228 L HN -0.459 7.591 8.230 0.014 0.188 0.470 229 D N 0.935 121.380 120.400 0.074 0.000 2.493 229 D HA -0.203 nan 4.640 nan 0.000 0.240 229 D C 0.673 177.019 176.300 0.077 0.000 1.142 229 D CA 1.879 55.927 54.000 0.080 0.000 0.872 229 D CB 1.584 42.457 40.800 0.120 0.000 1.173 229 D HN -0.284 7.960 8.370 0.067 0.166 0.467 230 I N 6.242 126.841 120.570 0.048 0.000 2.248 230 I HA -0.445 nan 4.170 nan 0.000 0.248 230 I C 0.311 176.445 176.117 0.028 0.000 1.107 230 I CA 2.569 63.896 61.300 0.046 0.000 1.373 230 I CB 0.366 38.368 38.000 0.004 0.000 1.055 230 I HN 0.008 8.238 8.210 0.033 0.000 0.418 231 D N -2.057 118.313 120.400 -0.050 0.000 2.290 231 D HA -0.010 nan 4.640 nan 0.000 0.224 231 D C 1.391 177.468 176.300 -0.372 0.000 0.967 231 D CA 2.468 56.308 54.000 -0.267 0.000 0.893 231 D CB 1.053 41.579 40.800 -0.457 0.000 1.037 231 D HN -0.236 8.392 8.370 0.003 -0.256 0.477 232 H N -2.628 116.457 119.070 0.026 0.000 2.529 232 H HA 0.196 nan 4.556 nan 0.000 0.277 232 H C 0.453 175.817 175.328 0.060 0.000 1.004 232 H CA 0.149 56.219 56.048 0.036 0.000 1.167 232 H CB 0.935 30.709 29.762 0.021 0.000 1.445 232 H HN 0.045 8.769 8.280 0.048 -0.415 0.554 233 G N 0.231 109.114 108.800 0.139 0.000 2.574 233 G HA2 0.260 nan 3.960 nan 0.000 0.248 233 G HA3 0.260 nan 3.960 nan 0.000 0.248 233 G C -0.422 174.546 174.900 0.112 0.000 1.422 233 G CA -0.714 44.463 45.100 0.128 0.000 1.051 233 G HN -0.330 8.027 8.290 0.112 0.000 0.560 234 T N 0.274 114.882 114.554 0.091 0.000 4.309 234 T HA 0.120 nan 4.350 nan 0.000 0.242 234 T C -0.626 174.108 174.700 0.055 0.000 1.142 234 T CA -1.403 60.681 62.100 -0.025 0.000 1.042 234 T CB -2.319 66.504 68.868 -0.075 0.000 1.366 234 T HN -0.163 8.162 8.240 0.142 0.000 0.942 235 Y N 5.557 125.831 120.300 -0.043 0.000 2.810 235 Y HA -0.195 nan 4.550 nan 0.000 0.332 235 Y C -1.425 174.423 175.900 -0.086 0.000 1.243 235 Y CA -0.201 57.862 58.100 -0.063 0.000 1.537 235 Y CB 0.039 38.466 38.460 -0.054 0.000 1.265 235 Y HN -0.213 8.111 8.280 0.192 0.071 0.572 236 P HA 0.068 nan 4.420 nan 0.000 0.266 236 P C -1.872 174.995 177.300 -0.722 0.000 1.381 236 P CA 0.341 62.756 63.100 -1.142 0.000 0.940 236 P CB 0.493 31.436 31.700 -1.262 0.000 1.435 237 Y N 1.099 121.263 120.300 -0.227 0.000 2.636 237 Y HA 0.025 nan 4.550 nan 0.000 0.334 237 Y C -1.713 174.133 175.900 -0.090 0.000 1.286 237 Y CA 0.102 58.112 58.100 -0.150 0.000 1.688 237 Y CB -2.480 35.891 38.460 -0.150 0.000 1.662 237 Y HN 0.008 8.100 8.280 -0.203 0.066 0.465 238 V N 2.428 122.323 119.914 -0.031 0.000 3.105 238 V HA 0.515 nan 4.120 nan 0.000 0.311 238 V C -1.653 174.445 176.094 0.007 0.000 1.287 238 V CA -1.973 60.340 62.300 0.022 0.000 1.066 238 V CB 4.486 36.325 31.823 0.026 0.000 1.105 238 V HN -0.393 7.694 8.190 -0.126 0.027 0.462 239 T N 0.513 115.083 114.554 0.027 0.000 2.937 239 T HA 0.380 nan 4.350 nan 0.000 0.283 239 T C -0.514 174.196 174.700 0.017 0.000 1.012 239 T CA -2.420 59.691 62.100 0.018 0.000 0.997 239 T CB 1.170 70.054 68.868 0.026 0.000 1.136 239 T HN 0.513 8.676 8.240 0.044 0.104 0.551 240 S N 0.977 116.694 115.700 0.028 0.000 2.851 240 S HA -0.011 nan 4.470 nan 0.000 0.227 240 S C -0.874 173.758 174.600 0.053 0.000 0.958 240 S CA 0.511 58.745 58.200 0.056 0.000 0.990 240 S CB -0.435 62.817 63.200 0.087 0.000 0.790 240 S HN 0.322 8.647 8.310 0.026 0.000 0.509 241 S N -1.923 113.770 115.700 -0.011 0.000 2.643 241 S HA 0.080 nan 4.470 nan 0.000 0.266 241 S C -2.063 172.499 174.600 -0.064 0.000 1.130 241 S CA -1.176 56.952 58.200 -0.121 0.000 0.817 241 S CB 1.688 64.858 63.200 -0.050 0.000 1.107 241 S HN -0.665 7.558 8.310 0.004 0.090 0.471 242 N N 0.524 119.173 118.700 -0.084 0.000 2.508 242 N HA 0.094 nan 4.740 nan 0.000 0.264 242 N C -0.117 175.413 175.510 0.032 0.000 1.216 242 N CA 0.942 53.992 53.050 -0.000 0.000 0.943 242 N CB 0.197 38.693 38.487 0.015 0.000 1.113 242 N HN 0.184 8.462 8.380 -0.169 0.000 0.447 243 T N -3.287 111.302 114.554 0.058 0.000 3.016 243 T HA 0.213 nan 4.350 nan 0.000 0.271 243 T C 0.716 175.471 174.700 0.091 0.000 0.968 243 T CA -0.447 61.689 62.100 0.059 0.000 0.891 243 T CB 1.688 70.579 68.868 0.037 0.000 1.149 243 T HN 0.512 9.173 8.240 0.068 -0.380 0.524 244 T N -0.767 113.838 114.554 0.085 0.000 2.849 244 T HA 0.317 nan 4.350 nan 0.000 0.284 244 T C 0.869 175.615 174.700 0.077 0.000 1.004 244 T CA -1.919 60.213 62.100 0.053 0.000 1.021 244 T CB 1.949 70.809 68.868 -0.012 0.000 1.013 244 T HN -0.739 7.755 8.240 0.081 -0.205 0.527 245 A N 1.460 124.286 122.820 0.010 0.000 2.259 245 A HA -0.124 nan 4.320 nan 0.000 0.212 245 A C 1.993 179.486 177.584 -0.151 0.000 1.178 245 A CA 2.220 54.211 52.037 -0.077 0.000 0.734 245 A CB -0.654 18.282 19.000 -0.107 0.000 0.774 245 A HN 0.631 9.164 8.150 -0.010 -0.389 0.481 246 G N -1.524 107.220 108.800 -0.093 0.000 2.511 246 G HA2 -0.139 nan 3.960 nan 0.000 0.217 246 G HA3 -0.139 nan 3.960 nan 0.000 0.217 246 G C 0.758 175.609 174.900 -0.083 0.000 1.133 246 G CA 0.767 45.804 45.100 -0.105 0.000 0.792 246 G HN -0.599 7.578 8.290 -0.059 0.078 0.539 247 G N -0.490 108.302 108.800 -0.013 0.000 2.920 247 G HA2 0.108 nan 3.960 nan 0.000 0.208 247 G HA3 0.108 nan 3.960 nan 0.000 0.208 247 G C 0.546 175.416 174.900 -0.049 0.000 1.159 247 G CA 0.037 45.172 45.100 0.059 0.000 0.784 247 G HN 0.034 8.201 8.290 0.035 0.144 0.535 248 V N 2.127 121.794 119.914 -0.412 0.000 2.261 248 V HA -0.417 nan 4.120 nan 0.000 0.246 248 V C 1.704 177.542 176.094 -0.427 0.000 1.047 248 V CA 4.126 65.948 62.300 -0.797 0.000 1.015 248 V CB -0.562 30.672 31.823 -0.982 0.000 0.642 248 V HN -0.571 7.229 8.190 -0.364 0.172 0.446 249 A N -2.430 120.214 122.820 -0.292 0.000 1.877 249 A HA -0.319 nan 4.320 nan 0.000 0.216 249 A C 2.331 179.874 177.584 -0.067 0.000 1.186 249 A CA 3.419 55.354 52.037 -0.171 0.000 0.620 249 A CB -0.801 18.109 19.000 -0.151 0.000 0.822 249 A HN 0.298 8.271 8.150 -0.294 0.000 0.443 250 T N -0.459 114.071 114.554 -0.040 0.000 2.777 250 T HA -0.216 nan 4.350 nan 0.000 0.266 250 T C 1.777 176.514 174.700 0.061 0.000 1.040 250 T CA 4.305 66.412 62.100 0.012 0.000 1.141 250 T CB -0.230 68.647 68.868 0.015 0.000 0.868 250 T HN 0.383 8.586 8.240 -0.062 0.000 0.444 251 G N -1.728 107.131 108.800 0.099 0.000 2.744 251 G HA2 0.050 nan 3.960 nan 0.000 0.211 251 G HA3 0.050 nan 3.960 nan 0.000 0.211 251 G C 0.290 175.316 174.900 0.210 0.000 1.143 251 G CA 1.018 46.232 45.100 0.191 0.000 0.788 251 G HN -0.058 8.278 8.290 0.077 0.000 0.534 252 S N -1.182 114.608 115.700 0.150 0.000 2.663 252 S HA 0.167 nan 4.470 nan 0.000 0.247 252 S C 0.859 175.540 174.600 0.134 0.000 1.074 252 S CA -0.053 58.264 58.200 0.196 0.000 0.955 252 S CB 2.134 65.528 63.200 0.324 0.000 0.901 252 S HN -0.609 7.592 8.310 0.075 0.153 0.505 253 G N 2.309 111.156 108.800 0.079 0.000 2.176 253 G HA2 -0.264 nan 3.960 nan 0.000 0.232 253 G HA3 -0.264 nan 3.960 nan 0.000 0.232 253 G C -0.591 174.349 174.900 0.067 0.000 0.986 253 G CA 0.069 45.209 45.100 0.066 0.000 0.643 253 G HN -0.040 8.164 8.290 0.047 0.115 0.522 254 L N 1.498 122.762 121.223 0.069 0.000 2.397 254 L HA 0.083 nan 4.340 nan 0.000 0.271 254 L C -0.045 176.850 176.870 0.042 0.000 1.148 254 L CA 0.459 55.360 54.840 0.102 0.000 0.825 254 L CB 1.074 43.198 42.059 0.108 0.000 1.117 254 L HN -0.785 7.417 8.230 0.059 0.063 0.456 255 G N 2.843 111.711 108.800 0.113 0.000 2.441 255 G HA2 0.093 nan 3.960 nan 0.000 0.243 255 G HA3 0.093 nan 3.960 nan 0.000 0.243 255 G C -0.911 173.838 174.900 -0.252 0.000 1.281 255 G CA -1.474 43.563 45.100 -0.106 0.000 0.854 255 G HN -0.004 8.468 8.290 0.302 0.000 0.560 256 P HA -0.275 nan 4.420 nan 0.000 0.216 256 P C 1.842 178.978 177.300 -0.274 0.000 1.154 256 P CA 2.390 65.351 63.100 -0.232 0.000 0.865 256 P CB 0.207 31.796 31.700 -0.186 0.000 0.789 257 R N -3.618 116.633 120.500 -0.415 0.000 2.280 257 R HA -0.125 nan 4.340 nan 0.000 0.207 257 R C 1.203 177.334 176.300 -0.282 0.000 1.043 257 R CA 1.731 57.608 56.100 -0.372 0.000 1.006 257 R CB -0.358 29.695 30.300 -0.412 0.000 0.885 257 R HN 0.356 8.307 8.270 -0.509 0.013 0.467 258 Y N -3.503 116.776 120.300 -0.035 0.000 2.461 258 Y HA -0.023 nan 4.550 nan 0.000 0.277 258 Y C -0.499 175.400 175.900 -0.001 0.000 1.182 258 Y CA -0.903 57.194 58.100 -0.004 0.000 1.276 258 Y CB -0.652 37.820 38.460 0.020 0.000 1.087 258 Y HN -0.385 7.473 8.280 -0.430 0.165 0.519 259 V N 0.628 120.564 119.914 0.037 0.000 2.427 259 V HA -0.187 nan 4.120 nan 0.000 0.268 259 V C 0.056 176.176 176.094 0.044 0.000 1.046 259 V CA 1.051 63.352 62.300 0.002 0.000 0.970 259 V CB -1.053 30.693 31.823 -0.129 0.000 1.001 259 V HN -0.728 7.380 8.190 -0.047 0.054 0.476 260 D N 7.845 128.311 120.400 0.109 0.000 2.149 260 D HA 0.009 nan 4.640 nan 0.000 0.206 260 D C -1.003 175.373 176.300 0.126 0.000 0.967 260 D CA 3.036 57.108 54.000 0.121 0.000 0.848 260 D CB 1.236 42.135 40.800 0.165 0.000 0.998 260 D HN 0.084 8.544 8.370 0.151 0.000 0.474 261 Y N -2.471 117.808 120.300 -0.036 0.000 2.433 261 Y HA 0.089 nan 4.550 nan 0.000 0.337 261 Y C -2.927 172.918 175.900 -0.092 0.000 1.026 261 Y CA -0.624 57.427 58.100 -0.081 0.000 1.037 261 Y CB 3.357 41.746 38.460 -0.118 0.000 1.245 261 Y HN -0.483 7.907 8.280 0.184 0.000 0.443 262 V N 7.563 127.266 119.914 -0.351 0.000 2.378 262 V HA 0.504 nan 4.120 nan 0.000 0.288 262 V C -2.055 173.861 176.094 -0.297 0.000 1.016 262 V CA -1.420 60.760 62.300 -0.199 0.000 0.840 262 V CB 1.476 33.177 31.823 -0.203 0.000 0.994 262 V HN 0.273 8.073 8.190 -0.649 0.000 0.431 263 L N 9.129 130.346 121.223 -0.011 0.000 2.257 263 L HA 0.661 nan 4.340 nan 0.000 0.290 263 L C -1.388 175.506 176.870 0.040 0.000 1.044 263 L CA -1.569 53.311 54.840 0.066 0.000 0.810 263 L CB 2.561 44.757 42.059 0.227 0.000 1.193 263 L HN 1.169 9.334 8.230 0.081 0.114 0.425 264 G N 7.178 115.996 108.800 0.030 0.000 2.327 264 G HA2 0.428 nan 3.960 nan 0.000 0.302 264 G HA3 0.428 nan 3.960 nan 0.000 0.302 264 G C -1.280 173.748 174.900 0.212 0.000 1.113 264 G CA -1.376 43.801 45.100 0.128 0.000 0.921 264 G HN 1.002 9.265 8.290 -0.046 0.000 0.425 265 I N 6.935 127.579 120.570 0.124 0.000 2.517 265 I HA 0.188 nan 4.170 nan 0.000 0.285 265 I C -1.585 174.562 176.117 0.051 0.000 1.106 265 I CA -1.000 60.354 61.300 0.089 0.000 1.402 265 I CB -1.028 37.005 38.000 0.054 0.000 1.399 265 I HN 0.710 8.976 8.210 0.094 0.000 0.535 266 L N 8.981 130.209 121.223 0.009 0.000 2.343 266 L HA 0.526 nan 4.340 nan 0.000 0.278 266 L C -2.455 174.360 176.870 -0.091 0.000 0.996 266 L CA -1.438 53.335 54.840 -0.112 0.000 0.831 266 L CB 3.482 45.316 42.059 -0.376 0.000 1.232 266 L HN 0.980 9.229 8.230 0.032 0.000 0.413 267 K N 7.021 127.364 120.400 -0.096 0.000 2.237 267 K HA 0.108 nan 4.320 nan 0.000 0.270 267 K C -0.446 176.129 176.600 -0.042 0.000 1.015 267 K CA -0.387 55.836 56.287 -0.107 0.000 0.949 267 K CB 1.433 33.788 32.500 -0.242 0.000 0.976 267 K HN 0.075 8.572 8.250 -0.107 -0.311 0.472 268 A N 2.776 125.649 122.820 0.090 0.000 2.070 268 A HA -0.182 nan 4.320 nan 0.000 0.220 268 A C -0.855 177.001 177.584 0.454 0.000 1.159 268 A CA 2.313 54.543 52.037 0.322 0.000 0.656 268 A CB 0.667 19.944 19.000 0.462 0.000 0.800 268 A HN 0.814 9.022 8.150 0.097 0.000 0.453 269 Y N -7.855 112.597 120.300 0.253 0.000 2.698 269 Y HA 0.753 nan 4.550 nan 0.000 0.332 269 Y C -1.999 174.054 175.900 0.255 0.000 1.119 269 Y CA -4.135 54.136 58.100 0.285 0.000 1.109 269 Y CB 2.598 41.188 38.460 0.216 0.000 1.308 269 Y HN -0.915 7.217 8.280 -0.167 0.047 0.499 270 S N 0.164 116.090 115.700 0.377 0.000 2.593 270 S HA 0.346 nan 4.470 nan 0.000 0.297 270 S C -1.610 173.204 174.600 0.357 0.000 1.112 270 S CA -0.787 57.619 58.200 0.343 0.000 1.043 270 S CB 2.432 66.020 63.200 0.646 0.000 1.054 270 S HN 0.644 9.183 8.310 0.554 0.104 0.516 271 T N -2.669 111.982 114.554 0.161 0.000 2.900 271 T HA 0.366 nan 4.350 nan 0.000 0.303 271 T C -2.426 172.191 174.700 -0.138 0.000 1.142 271 T CA -1.668 60.491 62.100 0.098 0.000 1.007 271 T CB 3.041 71.955 68.868 0.077 0.000 1.156 271 T HN 0.105 8.424 8.240 0.132 0.000 0.490 272 R N 1.090 121.451 120.500 -0.232 0.000 2.533 272 R HA 0.524 nan 4.340 nan 0.000 0.288 272 R C -2.244 173.962 176.300 -0.157 0.000 1.039 272 R CA -0.311 55.567 56.100 -0.371 0.000 0.909 272 R CB 4.001 33.744 30.300 -0.928 0.000 1.195 272 R HN 0.055 8.301 8.270 -0.041 0.000 0.438 273 V N 6.837 126.689 119.914 -0.104 0.000 2.328 273 V HA 0.402 nan 4.120 nan 0.000 0.278 273 V C -0.884 175.169 176.094 -0.067 0.000 1.021 273 V CA -0.838 61.427 62.300 -0.058 0.000 0.838 273 V CB -0.106 31.697 31.823 -0.033 0.000 0.999 273 V HN 0.698 8.833 8.190 -0.091 0.000 0.447 274 G N 4.897 113.660 108.800 -0.061 0.000 2.498 274 G HA2 -0.158 nan 3.960 nan 0.000 0.651 274 G HA3 -0.158 nan 3.960 nan 0.000 0.651 274 G C -1.838 173.006 174.900 -0.093 0.000 1.284 274 G CA -0.719 44.350 45.100 -0.052 0.000 0.950 274 G HN -0.337 7.923 8.290 -0.051 0.000 0.511 275 A N -0.793 121.984 122.820 -0.072 0.000 2.332 275 A HA 0.375 nan 4.320 nan 0.000 0.258 275 A C -0.987 176.333 177.584 -0.440 0.000 1.087 275 A CA 0.059 51.984 52.037 -0.186 0.000 0.802 275 A CB 0.959 19.920 19.000 -0.065 0.000 1.042 275 A HN 0.414 8.560 8.150 -0.006 0.000 0.489 276 G N -2.164 106.153 108.800 -0.806 0.000 2.326 276 G HA2 -0.117 nan 3.960 nan 0.000 0.413 276 G HA3 -0.117 nan 3.960 nan 0.000 0.413 276 G C -3.301 171.270 174.900 -0.547 0.000 1.444 276 G CA -0.532 43.963 45.100 -1.008 0.000 1.002 276 G HN -0.396 7.508 8.290 -0.642 0.000 0.649 277 P HA 0.102 nan 4.420 nan 0.000 0.266 277 P C -2.032 175.190 177.300 -0.130 0.000 1.195 277 P CA 0.480 63.482 63.100 -0.164 0.000 0.768 277 P CB 0.329 31.871 31.700 -0.263 0.000 0.838 278 F N 1.189 121.048 119.950 -0.152 0.000 2.946 278 F HA 0.224 nan 4.527 nan 0.000 0.399 278 F C -2.279 173.517 175.800 -0.006 0.000 1.269 278 F CA -3.806 54.063 58.000 -0.219 0.000 1.165 278 F CB -0.139 38.642 39.000 -0.365 0.000 2.380 278 F HN 0.179 8.590 8.300 0.185 0.000 0.589 279 P HA -0.167 nan 4.420 nan 0.000 0.218 279 P C -0.125 177.215 177.300 0.066 0.000 1.147 279 P CA 2.130 65.273 63.100 0.072 0.000 0.827 279 P CB -0.155 31.410 31.700 -0.226 0.000 0.778 280 T N -1.810 112.837 114.554 0.154 0.000 3.105 280 T HA 0.151 nan 4.350 nan 0.000 0.253 280 T C -0.882 173.670 174.700 -0.248 0.000 1.047 280 T CA -0.632 61.571 62.100 0.172 0.000 0.944 280 T CB -0.297 68.852 68.868 0.467 0.000 1.016 280 T HN -0.065 8.336 8.240 0.351 0.049 0.544 281 E N 2.068 121.756 120.200 -0.853 0.000 2.442 281 E HA -0.116 nan 4.350 nan 0.000 0.262 281 E C -0.761 175.374 176.600 -0.776 0.000 1.004 281 E CA 0.850 56.498 56.400 -1.253 0.000 0.928 281 E CB 0.659 29.563 29.700 -1.327 0.000 0.937 281 E HN -0.335 7.529 8.360 -0.730 0.058 0.446 282 L N 4.347 125.096 121.223 -0.791 0.000 2.331 282 L HA 0.240 nan 4.340 nan 0.000 0.275 282 L C -0.724 175.720 176.870 -0.710 0.000 1.022 282 L CA -1.217 53.297 54.840 -0.544 0.000 0.812 282 L CB 1.377 43.152 42.059 -0.473 0.000 1.257 282 L HN 0.209 7.951 8.230 -0.813 0.000 0.435 283 F N -0.929 118.945 119.950 -0.127 0.000 2.772 283 F HA 0.166 nan 4.527 nan 0.000 0.316 283 F C -0.566 175.190 175.800 -0.074 0.000 1.114 283 F CA -0.443 57.501 58.000 -0.093 0.000 1.191 283 F CB 1.097 40.054 39.000 -0.072 0.000 1.065 283 F HN 0.103 8.465 8.300 0.103 0.000 0.534 284 D N 0.507 120.931 120.400 0.041 0.000 2.541 284 D HA 0.118 nan 4.640 nan 0.000 0.276 284 D C 1.285 177.565 176.300 -0.034 0.000 1.190 284 D CA -1.219 52.788 54.000 0.012 0.000 1.095 284 D CB 0.616 41.422 40.800 0.011 0.000 1.173 284 D HN -0.412 7.883 8.370 -0.028 0.058 0.604 285 E N -2.087 118.092 120.200 -0.034 0.000 2.152 285 E HA -0.144 nan 4.350 nan 0.000 0.192 285 E C 2.218 178.789 176.600 -0.048 0.000 0.983 285 E CA 3.067 59.445 56.400 -0.037 0.000 0.818 285 E CB -0.118 29.558 29.700 -0.041 0.000 0.758 285 E HN 0.438 8.783 8.360 -0.026 0.000 0.467 286 T N 3.181 117.676 114.554 -0.098 0.000 2.777 286 T HA -0.205 nan 4.350 nan 0.000 0.266 286 T C 1.664 176.252 174.700 -0.186 0.000 1.040 286 T CA 4.873 66.886 62.100 -0.144 0.000 1.141 286 T CB -0.594 68.140 68.868 -0.223 0.000 0.868 286 T HN -0.578 7.756 8.240 -0.094 -0.151 0.444 287 G N 1.580 110.232 108.800 -0.246 0.000 2.459 287 G HA2 -0.407 nan 3.960 nan 0.000 0.217 287 G HA3 -0.407 nan 3.960 nan 0.000 0.217 287 G C 0.832 175.638 174.900 -0.156 0.000 1.183 287 G CA 2.204 47.144 45.100 -0.267 0.000 0.776 287 G HN -0.047 8.407 8.290 -0.223 -0.299 0.552 288 E N 2.353 122.501 120.200 -0.087 0.000 2.049 288 E HA -0.380 nan 4.350 nan 0.000 0.198 288 E C 2.101 178.688 176.600 -0.022 0.000 1.007 288 E CA 3.055 59.429 56.400 -0.043 0.000 0.809 288 E CB -0.252 29.440 29.700 -0.014 0.000 0.749 288 E HN -0.446 7.863 8.360 -0.085 0.000 0.450 289 F N 1.343 121.198 119.950 -0.159 0.000 2.043 289 F HA -0.411 nan 4.527 nan 0.000 0.297 289 F C 1.629 177.305 175.800 -0.206 0.000 1.121 289 F CA 3.536 61.437 58.000 -0.164 0.000 1.199 289 F CB 0.022 38.918 39.000 -0.173 0.000 0.968 289 F HN 0.301 8.553 8.300 0.122 0.121 0.478 290 L N -1.869 119.202 121.223 -0.253 0.000 2.012 290 L HA -0.601 nan 4.340 nan 0.000 0.210 290 L C 2.072 178.702 176.870 -0.400 0.000 1.073 290 L CA 3.419 57.952 54.840 -0.513 0.000 0.748 290 L CB -0.752 40.981 42.059 -0.544 0.000 0.891 290 L HN 0.419 8.509 8.230 -0.056 0.107 0.431 291 C N -0.783 118.389 119.300 -0.214 0.000 2.413 291 C HA -0.523 nan 4.460 nan 0.000 0.276 291 C C 2.045 176.982 174.990 -0.089 0.000 1.248 291 C CA 4.134 63.097 59.018 -0.091 0.000 1.742 291 C CB -1.835 25.878 27.740 -0.045 0.000 2.017 291 C HN 0.425 8.542 8.230 -0.188 0.000 0.481 292 K N -1.025 119.284 120.400 -0.151 0.000 1.985 292 K HA -0.315 nan 4.320 nan 0.000 0.210 292 K C 3.391 179.867 176.600 -0.207 0.000 1.047 292 K CA 3.304 59.502 56.287 -0.148 0.000 0.932 292 K CB -0.458 31.947 32.500 -0.159 0.000 0.716 292 K HN 0.088 8.240 8.250 -0.163 0.000 0.439 293 Q N -1.596 117.958 119.800 -0.409 0.000 2.096 293 Q HA -0.263 nan 4.340 nan 0.000 0.204 293 Q C 2.573 178.441 176.000 -0.220 0.000 0.982 293 Q CA 2.121 57.669 55.803 -0.424 0.000 0.850 293 Q CB -0.290 27.998 28.738 -0.749 0.000 0.901 293 Q HN 0.431 8.255 8.270 -0.563 0.108 0.422 294 G N -4.987 103.706 108.800 -0.179 0.000 2.559 294 G HA2 -0.218 nan 3.960 nan 0.000 0.216 294 G HA3 -0.218 nan 3.960 nan 0.000 0.216 294 G C -0.642 174.302 174.900 0.073 0.000 1.126 294 G CA 0.021 45.142 45.100 0.035 0.000 0.778 294 G HN 0.361 8.370 8.290 -0.279 0.114 0.543 295 N N -1.536 117.200 118.700 0.059 0.000 2.714 295 N HA -0.448 nan 4.740 nan 0.000 0.252 295 N C -0.391 175.213 175.510 0.157 0.000 1.014 295 N CA 1.188 54.347 53.050 0.181 0.000 0.735 295 N CB -0.714 37.865 38.487 0.154 0.000 0.924 295 N HN -0.256 7.799 8.380 -0.006 0.322 0.540 296 E N -1.590 118.681 120.200 0.120 0.000 2.723 296 E HA 0.102 nan 4.350 nan 0.000 0.219 296 E C -0.406 176.188 176.600 -0.011 0.000 1.060 296 E CA -0.929 55.467 56.400 -0.008 0.000 1.291 296 E CB 0.287 30.022 29.700 0.058 0.000 1.265 296 E HN -0.739 7.701 8.360 0.135 0.001 0.438 297 F N -3.198 116.751 119.950 -0.001 0.000 2.788 297 F HA -0.078 nan 4.527 nan 0.000 0.300 297 F C 0.522 176.322 175.800 0.001 0.000 1.229 297 F CA -0.376 57.621 58.000 -0.006 0.000 1.446 297 F CB -0.849 38.143 39.000 -0.013 0.000 1.118 297 F HN -0.340 8.067 8.300 0.303 0.075 0.579 298 G N -2.134 106.501 108.800 -0.274 0.000 2.186 298 G HA2 -0.294 nan 3.960 nan 0.000 0.130 298 G HA3 -0.294 nan 3.960 nan 0.000 0.130 298 G C 0.177 174.838 174.900 -0.399 0.000 1.031 298 G CA -0.635 44.338 45.100 -0.211 0.000 0.697 298 G HN -0.362 7.579 8.290 -0.351 0.138 0.494 299 A N -1.793 120.642 122.820 -0.641 0.000 2.139 299 A HA -0.190 nan 4.320 nan 0.000 0.221 299 A C 0.009 177.412 177.584 -0.301 0.000 1.159 299 A CA 2.945 54.582 52.037 -0.667 0.000 0.662 299 A CB -0.740 17.901 19.000 -0.598 0.000 0.796 299 A HN -0.010 7.810 8.150 -0.551 0.000 0.463 300 T N -8.305 106.135 114.554 -0.191 0.000 3.434 300 T HA 0.045 nan 4.350 nan 0.000 0.279 300 T C 0.627 175.295 174.700 -0.053 0.000 0.955 300 T CA 0.332 62.372 62.100 -0.100 0.000 1.048 300 T CB 1.027 69.849 68.868 -0.077 0.000 1.186 300 T HN 0.030 8.108 8.240 -0.187 0.049 0.485 301 T N -0.677 113.844 114.554 -0.056 0.000 3.533 301 T HA 0.412 nan 4.350 nan 0.000 0.275 301 T C -0.401 174.280 174.700 -0.032 0.000 1.000 301 T CA -0.728 61.355 62.100 -0.028 0.000 1.015 301 T CB -0.169 68.691 68.868 -0.014 0.000 1.153 301 T HN -0.079 8.115 8.240 -0.076 0.000 0.504 302 G N 1.533 110.310 108.800 -0.040 0.000 2.519 302 G HA2 0.176 nan 3.960 nan 0.000 0.292 302 G HA3 0.176 nan 3.960 nan 0.000 0.292 302 G C -0.519 174.370 174.900 -0.018 0.000 1.507 302 G CA 0.553 45.636 45.100 -0.028 0.000 0.806 302 G HN -0.614 7.646 8.290 -0.050 0.000 0.523 303 R N -0.422 120.070 120.500 -0.012 0.000 2.788 303 R HA 0.065 nan 4.340 nan 0.000 0.264 303 R C -0.670 175.629 176.300 -0.001 0.000 1.267 303 R CA 0.150 56.248 56.100 -0.003 0.000 1.213 303 R CB -0.878 29.421 30.300 -0.003 0.000 1.256 303 R HN 0.343 8.604 8.270 -0.015 0.000 0.556 304 R N -0.546 119.952 120.500 -0.004 0.000 3.139 304 R HA -0.015 nan 4.340 nan 0.000 0.287 304 R C -2.722 173.577 176.300 -0.001 0.000 0.978 304 R CA 0.732 56.832 56.100 -0.000 0.000 0.837 304 R CB 0.856 31.151 30.300 -0.009 0.000 1.330 304 R HN -0.960 7.200 8.270 -0.009 0.105 0.527 305 R N -0.246 120.260 120.500 0.009 0.000 2.983 305 R HA 0.202 nan 4.340 nan 0.000 0.290 305 R C -1.322 174.998 176.300 0.034 0.000 1.327 305 R CA 0.096 56.208 56.100 0.021 0.000 1.062 305 R CB 0.357 30.673 30.300 0.026 0.000 1.307 305 R HN 0.295 8.572 8.270 0.012 0.000 0.389 306 R N 6.461 127.002 120.500 0.068 0.000 2.393 306 R HA 0.401 nan 4.340 nan 0.000 0.310 306 R C -1.209 175.226 176.300 0.224 0.000 0.968 306 R CA -1.204 54.957 56.100 0.101 0.000 0.867 306 R CB 2.525 32.938 30.300 0.187 0.000 1.124 306 R HN 0.402 8.708 8.270 0.061 0.000 0.450 307 T N 1.573 116.143 114.554 0.028 0.000 2.944 307 T HA 0.773 nan 4.350 nan 0.000 0.284 307 T C -1.098 173.515 174.700 -0.145 0.000 1.010 307 T CA -1.495 60.637 62.100 0.054 0.000 1.025 307 T CB 2.275 71.100 68.868 -0.070 0.000 1.079 307 T HN 0.373 8.535 8.240 -0.129 0.000 0.516 308 G N -0.595 108.193 108.800 -0.020 0.000 2.338 308 G HA2 0.322 nan 3.960 nan 0.000 0.295 308 G HA3 0.322 nan 3.960 nan 0.000 0.295 308 G C -2.516 172.447 174.900 0.105 0.000 1.461 308 G CA 0.700 45.690 45.100 -0.183 0.000 0.817 308 G HN -0.478 7.930 8.290 0.195 0.000 0.556 309 W N -1.457 119.988 121.300 0.243 0.000 2.034 309 W HA 0.190 nan 4.660 nan 0.000 0.357 309 W C 0.216 176.977 176.519 0.403 0.000 1.326 309 W CA -0.602 56.928 57.345 0.308 0.000 1.318 309 W CB 0.874 30.494 29.460 0.267 0.000 1.193 309 W HN -0.198 8.044 8.180 0.104 0.000 0.620 310 L N 0.464 122.094 121.223 0.679 0.000 2.453 310 L HA -0.054 nan 4.340 nan 0.000 0.272 310 L C -1.624 175.507 176.870 0.435 0.000 1.182 310 L CA 0.945 56.063 54.840 0.464 0.000 0.858 310 L CB 0.787 43.063 42.059 0.361 0.000 1.120 310 L HN 0.455 9.138 8.230 0.754 0.000 0.474 311 D N 5.322 125.942 120.400 0.367 0.000 2.472 311 D HA 0.267 nan 4.640 nan 0.000 0.234 311 D C 0.391 176.808 176.300 0.196 0.000 1.088 311 D CA -1.441 52.770 54.000 0.352 0.000 0.882 311 D CB 1.473 42.577 40.800 0.505 0.000 1.037 311 D HN 0.232 8.796 8.370 0.322 0.000 0.520 312 T N 0.874 115.504 114.554 0.126 0.000 2.962 312 T HA -0.168 nan 4.350 nan 0.000 0.270 312 T C 1.567 176.273 174.700 0.010 0.000 1.088 312 T CA 2.844 64.972 62.100 0.048 0.000 1.127 312 T CB -0.135 68.746 68.868 0.021 0.000 0.883 312 T HN 0.099 8.427 8.240 0.147 0.000 0.493 313 V N 2.392 122.286 119.914 -0.033 0.000 2.270 313 V HA -0.337 nan 4.120 nan 0.000 0.245 313 V C 1.571 177.648 176.094 -0.029 0.000 1.043 313 V CA 4.008 66.211 62.300 -0.161 0.000 1.014 313 V CB -1.160 30.308 31.823 -0.591 0.000 0.645 313 V HN -0.239 8.109 8.190 0.013 -0.150 0.447 314 A N -1.502 121.381 122.820 0.105 0.000 1.972 314 A HA -0.256 nan 4.320 nan 0.000 0.219 314 A C 2.177 179.772 177.584 0.018 0.000 1.169 314 A CA 3.196 55.320 52.037 0.146 0.000 0.635 314 A CB -0.653 18.497 19.000 0.251 0.000 0.810 314 A HN -0.505 8.039 8.150 0.173 -0.290 0.446 315 V N -0.557 119.366 119.914 0.016 0.000 2.453 315 V HA -0.404 nan 4.120 nan 0.000 0.247 315 V C 1.897 178.025 176.094 0.056 0.000 1.048 315 V CA 4.025 66.336 62.300 0.017 0.000 1.049 315 V CB -0.924 30.906 31.823 0.012 0.000 0.672 315 V HN 0.070 8.217 8.190 0.045 0.070 0.457 316 R N -0.155 120.368 120.500 0.038 0.000 2.105 316 R HA -0.355 nan 4.340 nan 0.000 0.239 316 R C 1.822 178.124 176.300 0.004 0.000 1.135 316 R CA 3.180 59.292 56.100 0.020 0.000 0.967 316 R CB -0.413 29.881 30.300 -0.010 0.000 0.861 316 R HN -0.037 8.143 8.270 0.025 0.105 0.442 317 R N -0.789 119.718 120.500 0.012 0.000 2.092 317 R HA -0.233 nan 4.340 nan 0.000 0.231 317 R C 1.754 178.048 176.300 -0.011 0.000 1.119 317 R CA 2.493 58.602 56.100 0.016 0.000 0.970 317 R CB -0.814 29.525 30.300 0.066 0.000 0.864 317 R HN -0.432 7.759 8.270 0.019 0.091 0.440 318 A N -0.827 121.982 122.820 -0.018 0.000 1.898 318 A HA -0.199 nan 4.320 nan 0.000 0.216 318 A C 2.400 179.959 177.584 -0.042 0.000 1.181 318 A CA 3.122 55.138 52.037 -0.035 0.000 0.620 318 A CB -0.849 18.132 19.000 -0.032 0.000 0.819 318 A HN -0.505 7.555 8.150 -0.010 0.084 0.442 319 V N 0.087 119.985 119.914 -0.026 0.000 2.255 319 V HA -0.541 nan 4.120 nan 0.000 0.247 319 V C 2.080 178.114 176.094 -0.101 0.000 1.051 319 V CA 4.702 66.953 62.300 -0.082 0.000 1.018 319 V CB -0.946 30.840 31.823 -0.062 0.000 0.641 319 V HN 0.385 8.583 8.190 0.013 0.000 0.445 320 Q N -0.470 119.285 119.800 -0.075 0.000 2.050 320 Q HA -0.302 nan 4.340 nan 0.000 0.202 320 Q C 2.795 178.733 176.000 -0.104 0.000 0.980 320 Q CA 3.162 58.916 55.803 -0.081 0.000 0.840 320 Q CB -0.099 28.605 28.738 -0.056 0.000 0.898 320 Q HN -0.476 7.763 8.270 -0.052 0.000 0.424 321 L N -2.006 119.153 121.223 -0.106 0.000 2.083 321 L HA -0.301 nan 4.340 nan 0.000 0.209 321 L C 1.240 178.022 176.870 -0.146 0.000 1.083 321 L CA 2.366 57.114 54.840 -0.153 0.000 0.752 321 L CB -0.022 41.949 42.059 -0.146 0.000 0.899 321 L HN 0.351 8.426 8.230 -0.081 0.107 0.433 322 N N -4.086 114.541 118.700 -0.122 0.000 2.236 322 N HA 0.083 nan 4.740 nan 0.000 0.196 322 N C -0.279 175.142 175.510 -0.148 0.000 1.114 322 N CA 0.208 53.184 53.050 -0.123 0.000 0.859 322 N CB 1.107 39.535 38.487 -0.100 0.000 0.982 322 N HN -0.341 7.959 8.380 -0.110 0.014 0.493 323 S N -2.369 113.240 115.700 -0.151 0.000 3.559 323 S HA -0.513 nan 4.470 nan 0.000 0.369 323 S C -0.085 174.383 174.600 -0.220 0.000 0.987 323 S CA 1.076 59.176 58.200 -0.167 0.000 1.187 323 S CB -2.425 60.685 63.200 -0.149 0.000 0.914 323 S HN -0.299 7.768 8.310 -0.138 0.161 0.480 324 L N -1.634 119.441 121.223 -0.248 0.000 2.573 324 L HA -0.298 nan 4.340 nan 0.000 0.290 324 L C 0.948 177.558 176.870 -0.433 0.000 1.247 324 L CA 1.429 56.060 54.840 -0.348 0.000 0.876 324 L CB 0.280 42.094 42.059 -0.407 0.000 1.123 324 L HN -0.568 7.536 8.230 -0.211 0.000 0.505 325 S N 0.803 116.147 115.700 -0.593 0.000 2.499 325 S HA 0.189 nan 4.470 nan 0.000 0.225 325 S C -0.212 174.014 174.600 -0.624 0.000 1.050 325 S CA 1.140 58.931 58.200 -0.683 0.000 0.928 325 S CB 1.766 64.289 63.200 -1.128 0.000 0.803 325 S HN 0.837 8.657 8.310 -0.640 0.106 0.506 326 G N -0.135 108.283 108.800 -0.636 0.000 2.576 326 G HA2 0.262 nan 3.960 nan 0.000 0.290 326 G HA3 0.262 nan 3.960 nan 0.000 0.290 326 G C -3.221 171.516 174.900 -0.271 0.000 1.442 326 G CA 0.438 45.327 45.100 -0.351 0.000 0.792 326 G HN -0.773 7.104 8.290 -0.689 0.000 0.491 327 F N -1.666 118.280 119.950 -0.007 0.000 2.523 327 F HA 0.920 nan 4.527 nan 0.000 0.329 327 F C -1.587 174.229 175.800 0.027 0.000 1.061 327 F CA -2.500 55.500 58.000 -0.000 0.000 0.967 327 F CB 4.371 43.364 39.000 -0.011 0.000 1.218 327 F HN 0.012 8.352 8.300 0.067 0.000 0.480 328 C N 2.247 121.702 119.300 0.258 0.000 2.322 328 C HA 0.735 nan 4.460 nan 0.000 0.324 328 C C -1.942 173.105 174.990 0.094 0.000 1.249 328 C CA -2.408 56.693 59.018 0.139 0.000 1.453 328 C CB 0.780 28.580 27.740 0.100 0.000 2.145 328 C HN 0.438 8.844 8.230 0.293 0.000 0.466 329 L N 10.120 131.383 121.223 0.066 0.000 2.290 329 L HA 0.686 nan 4.340 nan 0.000 0.284 329 L C -1.977 174.924 176.870 0.052 0.000 1.078 329 L CA -0.465 54.396 54.840 0.034 0.000 0.815 329 L CB 2.388 44.470 42.059 0.040 0.000 1.162 329 L HN 0.780 9.056 8.230 0.077 0.000 0.435 330 T N 2.236 116.819 114.554 0.048 0.000 2.930 330 T HA 0.622 nan 4.350 nan 0.000 0.290 330 T C -0.176 174.590 174.700 0.109 0.000 1.052 330 T CA -1.738 60.401 62.100 0.065 0.000 1.017 330 T CB 2.672 71.562 68.868 0.036 0.000 1.137 330 T HN 1.014 9.162 8.240 0.024 0.107 0.511 331 K N -0.235 120.254 120.400 0.150 0.000 3.035 331 K HA -0.395 nan 4.320 nan 0.000 0.262 331 K C 1.108 177.899 176.600 0.318 0.000 1.024 331 K CA 1.345 57.777 56.287 0.243 0.000 0.748 331 K CB -2.399 30.256 32.500 0.258 0.000 1.247 331 K HN 0.875 9.202 8.250 0.128 0.000 0.482 332 L N -1.153 120.236 121.223 0.276 0.000 2.156 332 L HA -0.260 nan 4.340 nan 0.000 0.208 332 L C 0.143 177.234 176.870 0.368 0.000 1.095 332 L CA 3.111 58.151 54.840 0.332 0.000 0.770 332 L CB -0.211 42.004 42.059 0.260 0.000 0.914 332 L HN 0.159 8.521 8.230 0.219 0.000 0.439 333 D N -2.785 117.809 120.400 0.324 0.000 2.351 333 D HA -0.281 nan 4.640 nan 0.000 0.216 333 D C 1.834 178.263 176.300 0.214 0.000 0.968 333 D CA 2.401 56.597 54.000 0.326 0.000 0.899 333 D CB -0.923 40.123 40.800 0.410 0.000 0.907 333 D HN 0.249 8.767 8.370 0.296 0.030 0.514 334 V N -0.120 119.899 119.914 0.175 0.000 2.970 334 V HA -0.178 nan 4.120 nan 0.000 0.260 334 V C 0.691 176.747 176.094 -0.064 0.000 1.100 334 V CA 1.944 64.224 62.300 -0.033 0.000 1.122 334 V CB -0.356 31.402 31.823 -0.108 0.000 0.721 334 V HN -0.709 7.361 8.190 0.262 0.277 0.483 335 L N -5.234 116.040 121.223 0.084 0.000 2.592 335 L HA 0.136 nan 4.340 nan 0.000 0.227 335 L C -0.383 176.364 176.870 -0.205 0.000 1.127 335 L CA -0.517 54.313 54.840 -0.018 0.000 0.884 335 L CB -0.251 41.763 42.059 -0.075 0.000 1.065 335 L HN -0.510 7.696 8.230 0.206 0.148 0.457 336 D N 0.321 120.748 120.400 0.045 0.000 2.401 336 D HA -0.155 nan 4.640 nan 0.000 0.254 336 D C 0.882 177.181 176.300 -0.001 0.000 1.192 336 D CA 2.179 56.207 54.000 0.046 0.000 0.885 336 D CB -0.502 40.438 40.800 0.233 0.000 1.147 336 D HN -0.761 7.513 8.370 0.147 0.185 0.478 337 G N 4.185 112.883 108.800 -0.169 0.000 2.253 337 G HA2 -0.439 nan 3.960 nan 0.000 0.209 337 G HA3 -0.439 nan 3.960 nan 0.000 0.209 337 G C -0.521 174.222 174.900 -0.262 0.000 0.997 337 G CA -0.227 44.804 45.100 -0.114 0.000 0.640 337 G HN 0.508 8.587 8.290 -0.351 0.000 0.496 338 L N 0.507 121.509 121.223 -0.369 0.000 2.456 338 L HA -0.080 nan 4.340 nan 0.000 0.272 338 L C 0.653 177.329 176.870 -0.324 0.000 1.189 338 L CA -0.157 54.449 54.840 -0.390 0.000 0.846 338 L CB 0.394 42.251 42.059 -0.336 0.000 1.111 338 L HN -0.660 7.271 8.230 -0.398 0.060 0.475 339 K N 0.866 121.120 120.400 -0.243 0.000 2.186 339 K HA -0.229 nan 4.320 nan 0.000 0.202 339 K C 0.234 176.740 176.600 -0.156 0.000 1.052 339 K CA 2.321 58.506 56.287 -0.170 0.000 0.965 339 K CB 0.643 33.064 32.500 -0.131 0.000 0.746 339 K HN 0.318 8.418 8.250 -0.251 0.000 0.457 340 E N -2.645 117.450 120.200 -0.174 0.000 2.275 340 E HA 0.371 nan 4.350 nan 0.000 0.270 340 E C -1.877 174.567 176.600 -0.260 0.000 0.882 340 E CA -0.934 55.360 56.400 -0.178 0.000 0.758 340 E CB 3.121 32.735 29.700 -0.144 0.000 1.195 340 E HN -0.730 7.523 8.360 -0.178 0.000 0.419 341 V N 4.501 124.221 119.914 -0.324 0.000 2.815 341 V HA 0.413 nan 4.120 nan 0.000 0.314 341 V C -1.719 174.001 176.094 -0.625 0.000 1.064 341 V CA -1.819 60.181 62.300 -0.500 0.000 0.952 341 V CB 3.735 35.340 31.823 -0.363 0.000 1.020 341 V HN 1.162 9.099 8.190 -0.232 0.114 0.439 342 K N 2.009 121.725 120.400 -1.139 0.000 2.435 342 K HA 0.944 nan 4.320 nan 0.000 0.251 342 K C -1.652 174.735 176.600 -0.355 0.000 0.954 342 K CA -1.016 54.724 56.287 -0.910 0.000 0.820 342 K CB 3.471 34.970 32.500 -1.668 0.000 1.292 342 K HN -0.006 7.249 8.250 -1.659 0.000 0.436 343 L N -4.129 117.109 121.223 0.026 0.000 2.439 343 L HA 0.684 nan 4.340 nan 0.000 0.270 343 L C -0.851 176.210 176.870 0.317 0.000 0.972 343 L CA -2.000 52.985 54.840 0.242 0.000 0.836 343 L CB 2.173 44.331 42.059 0.165 0.000 1.255 343 L HN 0.082 8.321 8.230 0.015 0.000 0.404 344 C N 5.484 125.011 119.300 0.378 0.000 2.648 344 C HA 0.197 nan 4.460 nan 0.000 0.415 344 C C 1.056 176.090 174.990 0.074 0.000 1.366 344 C CA 0.708 59.796 59.018 0.117 0.000 1.756 344 C CB -0.450 27.338 27.740 0.080 0.000 2.549 344 C HN 0.367 8.875 8.230 0.463 0.000 0.597 345 V N 3.090 123.011 119.914 0.011 0.000 3.523 345 V HA 0.468 nan 4.120 nan 0.000 0.255 345 V C -1.557 174.494 176.094 -0.072 0.000 1.226 345 V CA -0.293 61.998 62.300 -0.015 0.000 1.092 345 V CB 0.787 32.610 31.823 -0.000 0.000 0.817 345 V HN 0.792 8.972 8.190 -0.017 0.000 0.458 346 A N -1.736 121.036 122.820 -0.079 0.000 2.564 346 A HA 0.598 nan 4.320 nan 0.000 0.291 346 A C -3.084 174.509 177.584 0.016 0.000 1.102 346 A CA 0.318 52.279 52.037 -0.127 0.000 0.660 346 A CB 2.267 21.221 19.000 -0.076 0.000 1.283 346 A HN -0.763 7.357 8.150 -0.051 0.000 0.430 347 Y N -2.739 117.505 120.300 -0.093 0.000 2.429 347 Y HA 0.690 nan 4.550 nan 0.000 0.342 347 Y C -1.570 174.272 175.900 -0.097 0.000 1.004 347 Y CA -3.301 54.730 58.100 -0.115 0.000 1.075 347 Y CB 3.751 42.111 38.460 -0.167 0.000 1.214 347 Y HN 0.344 8.573 8.280 -0.085 0.000 0.455 348 R N 3.362 123.907 120.500 0.073 0.000 2.198 348 R HA 0.574 nan 4.340 nan 0.000 0.339 348 R C -0.630 175.667 176.300 -0.004 0.000 1.020 348 R CA -1.397 54.716 56.100 0.021 0.000 0.864 348 R CB 1.365 31.670 30.300 0.008 0.000 1.105 348 R HN 0.972 9.160 8.270 0.052 0.113 0.463 349 M N 7.058 126.654 119.600 -0.007 0.000 2.240 349 M HA 0.171 nan 4.480 nan 0.000 0.333 349 M C -1.000 175.287 176.300 -0.020 0.000 1.110 349 M CA -2.059 53.224 55.300 -0.028 0.000 1.173 349 M CB -1.502 31.084 32.600 -0.024 0.000 1.458 349 M HN 1.030 9.211 8.290 0.001 0.110 0.458 350 P HA -0.181 nan 4.420 nan 0.000 0.226 350 P C -1.396 175.904 177.300 -0.001 0.000 1.146 350 P CA 1.910 65.005 63.100 -0.008 0.000 0.773 350 P CB -0.330 31.370 31.700 -0.001 0.000 0.772 351 D N -5.526 114.873 120.400 -0.001 0.000 2.463 351 D HA -0.003 nan 4.640 nan 0.000 0.224 351 D C 1.111 177.412 176.300 0.001 0.000 1.174 351 D CA -1.365 52.637 54.000 0.002 0.000 0.829 351 D CB -0.933 39.870 40.800 0.005 0.000 0.993 351 D HN -0.360 7.945 8.370 -0.005 0.062 0.497 352 G N 0.788 109.588 108.800 -0.000 0.000 2.284 352 G HA2 -0.374 nan 3.960 nan 0.000 0.247 352 G HA3 -0.374 nan 3.960 nan 0.000 0.247 352 G C -0.721 174.179 174.900 0.000 0.000 1.012 352 G CA 0.185 45.285 45.100 0.001 0.000 0.618 352 G HN 0.273 8.402 8.290 -0.002 0.160 0.521 353 R N 0.799 121.298 120.500 -0.001 0.000 2.594 353 R HA 0.011 nan 4.340 nan 0.000 0.272 353 R C -1.108 175.191 176.300 -0.002 0.000 1.074 353 R CA 0.022 56.121 56.100 -0.002 0.000 1.105 353 R CB 0.546 30.845 30.300 -0.003 0.000 1.008 353 R HN -0.594 7.751 8.270 -0.001 -0.075 0.472 354 E N 0.831 121.029 120.200 -0.004 0.000 2.191 354 E HA 0.681 nan 4.350 nan 0.000 0.278 354 E C -0.673 175.917 176.600 -0.017 0.000 0.972 354 E CA -0.758 55.639 56.400 -0.004 0.000 0.804 354 E CB 1.938 31.634 29.700 -0.006 0.000 1.110 354 E HN 0.041 8.398 8.360 -0.005 0.000 0.394 355 V N -1.538 118.360 119.914 -0.027 0.000 2.769 355 V HA 0.579 nan 4.120 nan 0.000 0.312 355 V C -0.071 175.943 176.094 -0.134 0.000 1.061 355 V CA -2.231 60.029 62.300 -0.066 0.000 0.931 355 V CB 2.843 34.629 31.823 -0.062 0.000 1.010 355 V HN 0.879 8.957 8.190 -0.003 0.111 0.433 356 T N -1.816 112.662 114.554 -0.127 0.000 3.092 356 T HA 0.215 nan 4.350 nan 0.000 0.258 356 T C -1.186 173.407 174.700 -0.178 0.000 1.031 356 T CA 0.084 62.090 62.100 -0.157 0.000 0.925 356 T CB 0.241 69.052 68.868 -0.094 0.000 1.036 356 T HN 0.374 8.560 8.240 -0.091 0.000 0.544 357 T N -2.250 112.200 114.554 -0.174 0.000 2.900 357 T HA 0.264 nan 4.350 nan 0.000 0.295 357 T C 0.009 174.628 174.700 -0.135 0.000 1.044 357 T CA -2.377 59.649 62.100 -0.123 0.000 0.995 357 T CB 2.923 71.763 68.868 -0.047 0.000 1.072 357 T HN -0.718 7.374 8.240 -0.162 0.051 0.473 358 T N -1.181 113.353 114.554 -0.034 0.000 2.902 358 T HA 0.205 nan 4.350 nan 0.000 0.301 358 T C 0.213 174.998 174.700 0.141 0.000 1.012 358 T CA -2.099 60.069 62.100 0.113 0.000 1.151 358 T CB -0.649 68.495 68.868 0.459 0.000 0.946 358 T HN 0.370 8.615 8.240 0.009 0.000 0.542 359 P HA 0.044 nan 4.420 nan 0.000 0.273 359 P C -0.489 177.014 177.300 0.338 0.000 1.250 359 P CA -0.746 62.384 63.100 0.050 0.000 0.793 359 P CB 0.542 32.115 31.700 -0.212 0.000 1.011 360 L N -1.501 119.886 121.223 0.273 0.000 2.482 360 L HA -0.172 nan 4.340 nan 0.000 0.273 360 L C 1.712 178.869 176.870 0.479 0.000 1.228 360 L CA -0.052 54.970 54.840 0.304 0.000 0.827 360 L CB 0.022 42.189 42.059 0.180 0.000 1.099 360 L HN 0.141 8.475 8.230 0.173 0.000 0.494 361 A N 2.942 125.968 122.820 0.344 0.000 1.972 361 A HA -0.226 nan 4.320 nan 0.000 0.219 361 A C 0.815 178.567 177.584 0.281 0.000 1.169 361 A CA 2.632 54.834 52.037 0.275 0.000 0.635 361 A CB -0.748 18.356 19.000 0.173 0.000 0.810 361 A HN 0.536 8.830 8.150 0.240 0.000 0.446 362 A N -3.476 119.480 122.820 0.227 0.000 2.119 362 A HA 0.020 nan 4.320 nan 0.000 0.217 362 A C 0.094 177.806 177.584 0.213 0.000 1.153 362 A CA 0.466 52.616 52.037 0.188 0.000 0.692 362 A CB -0.390 18.682 19.000 0.121 0.000 0.799 362 A HN -0.073 8.179 8.150 0.191 0.014 0.458 363 D N -0.744 119.818 120.400 0.271 0.000 2.393 363 D HA -0.061 nan 4.640 nan 0.000 0.246 363 D C -1.111 175.352 176.300 0.272 0.000 1.275 363 D CA -0.405 53.724 54.000 0.216 0.000 0.979 363 D CB 1.268 42.160 40.800 0.153 0.000 1.101 363 D HN -0.585 7.809 8.370 0.329 0.173 0.505 364 D N 0.471 120.965 120.400 0.158 0.000 2.494 364 D HA 0.039 nan 4.640 nan 0.000 0.217 364 D C 0.615 177.001 176.300 0.145 0.000 1.153 364 D CA -0.578 53.517 54.000 0.159 0.000 0.954 364 D CB -1.061 39.791 40.800 0.086 0.000 1.034 364 D HN 0.176 8.600 8.370 0.090 0.000 0.518 365 W N 4.608 125.936 121.300 0.047 0.000 2.595 365 W HA -0.190 nan 4.660 nan 0.000 0.257 365 W C 1.340 177.851 176.519 -0.013 0.000 1.267 365 W CA 2.079 59.434 57.345 0.016 0.000 1.300 365 W CB 0.150 29.637 29.460 0.045 0.000 1.120 365 W HN -0.180 8.351 8.180 0.584 0.000 0.618 366 K N 0.040 120.571 120.400 0.220 0.000 2.442 366 K HA -0.156 nan 4.320 nan 0.000 0.198 366 K C 0.627 177.264 176.600 0.061 0.000 1.042 366 K CA 1.074 57.432 56.287 0.119 0.000 0.958 366 K CB -0.407 32.151 32.500 0.097 0.000 0.766 366 K HN -0.520 7.951 8.250 0.235 -0.080 0.474 367 G N -2.527 106.296 108.800 0.038 0.000 3.839 367 G HA2 0.229 nan 3.960 nan 0.000 0.286 367 G HA3 0.229 nan 3.960 nan 0.000 0.286 367 G C -1.616 173.260 174.900 -0.041 0.000 1.005 367 G CA -0.512 44.589 45.100 0.001 0.000 0.824 367 G HN -0.680 7.487 8.290 0.049 0.153 0.489 368 V N -3.567 116.292 119.914 -0.091 0.000 2.649 368 V HA 0.308 nan 4.120 nan 0.000 0.292 368 V C -1.419 174.583 176.094 -0.153 0.000 1.055 368 V CA -1.424 60.762 62.300 -0.191 0.000 1.023 368 V CB 0.332 31.882 31.823 -0.455 0.000 0.992 368 V HN -0.675 7.477 8.190 -0.063 0.000 0.480 369 E N 6.084 126.214 120.200 -0.117 0.000 2.224 369 E HA 0.612 nan 4.350 nan 0.000 0.265 369 E C -2.490 174.064 176.600 -0.077 0.000 0.878 369 E CA -4.062 52.298 56.400 -0.066 0.000 0.759 369 E CB 3.191 32.880 29.700 -0.018 0.000 1.164 369 E HN 0.270 8.573 8.360 -0.095 0.000 0.414 370 P HA 0.343 nan 4.420 nan 0.000 0.275 370 P C -1.158 175.977 177.300 -0.276 0.000 1.228 370 P CA -0.559 62.432 63.100 -0.181 0.000 0.786 370 P CB 0.928 32.398 31.700 -0.383 0.000 0.927 371 I N 2.676 123.127 120.570 -0.199 0.000 2.312 371 I HA 0.128 nan 4.170 nan 0.000 0.290 371 I C -1.304 174.714 176.117 -0.165 0.000 1.008 371 I CA -0.632 60.598 61.300 -0.117 0.000 1.226 371 I CB 1.540 39.523 38.000 -0.029 0.000 1.371 371 I HN 0.719 8.772 8.210 -0.095 0.099 0.468 372 Y N 6.105 126.435 120.300 0.049 0.000 2.387 372 Y HA 0.296 nan 4.550 nan 0.000 0.330 372 Y C -0.993 174.896 175.900 -0.018 0.000 1.133 372 Y CA -1.578 56.527 58.100 0.009 0.000 1.152 372 Y CB 1.598 40.035 38.460 -0.038 0.000 1.215 372 Y HN 0.295 8.651 8.280 0.127 0.000 0.466 373 E N 3.586 123.881 120.200 0.158 0.000 2.081 373 E HA 0.287 nan 4.350 nan 0.000 0.276 373 E C -0.889 175.724 176.600 0.022 0.000 0.950 373 E CA -1.362 55.081 56.400 0.071 0.000 0.776 373 E CB 1.960 31.694 29.700 0.057 0.000 1.094 373 E HN 0.316 8.793 8.360 0.195 0.000 0.402 374 T N 7.142 121.689 114.554 -0.011 0.000 2.889 374 T HA 0.582 nan 4.350 nan 0.000 0.291 374 T C -0.719 173.953 174.700 -0.046 0.000 0.995 374 T CA 0.162 62.211 62.100 -0.084 0.000 1.092 374 T CB 0.389 69.205 68.868 -0.085 0.000 0.954 374 T HN 0.342 8.588 8.240 0.010 0.000 0.506 375 M N 1.090 120.652 119.600 -0.063 0.000 2.578 375 M HA 0.537 nan 4.480 nan 0.000 0.276 375 M C -3.237 173.059 176.300 -0.007 0.000 1.245 375 M CA -2.432 52.870 55.300 0.004 0.000 0.871 375 M CB 1.618 34.267 32.600 0.082 0.000 1.722 375 M HN 0.924 9.133 8.290 -0.136 0.000 0.473 376 P HA -0.145 nan 4.420 nan 0.000 0.262 376 P C -0.422 176.919 177.300 0.068 0.000 1.182 376 P CA 0.685 63.809 63.100 0.039 0.000 0.761 376 P CB -0.077 31.667 31.700 0.074 0.000 0.795 377 G N 1.329 110.095 108.800 -0.057 0.000 2.525 377 G HA2 0.363 nan 3.960 nan 0.000 0.287 377 G HA3 0.363 nan 3.960 nan 0.000 0.287 377 G C -1.844 173.065 174.900 0.016 0.000 1.350 377 G CA -1.082 43.869 45.100 -0.249 0.000 1.039 377 G HN 0.148 8.308 8.290 -0.078 0.082 0.513 378 W N -5.119 116.168 121.300 -0.022 0.000 3.107 378 W HA 0.420 nan 4.660 nan 0.000 0.331 378 W C -1.153 175.371 176.519 0.007 0.000 1.204 378 W CA -2.094 55.249 57.345 -0.003 0.000 1.184 378 W CB 1.216 30.680 29.460 0.007 0.000 1.421 378 W HN -0.342 7.267 8.180 -0.952 0.000 0.544 379 S N -0.141 115.668 115.700 0.182 0.000 2.499 379 S HA 0.046 nan 4.470 nan 0.000 0.225 379 S C -0.272 174.436 174.600 0.180 0.000 1.050 379 S CA 1.094 59.357 58.200 0.105 0.000 0.928 379 S CB 0.126 63.360 63.200 0.056 0.000 0.803 379 S HN 0.097 8.545 8.310 0.230 0.000 0.506 380 E N 3.245 123.584 120.200 0.232 0.000 2.452 380 E HA -0.077 nan 4.350 nan 0.000 0.261 380 E C -1.423 175.330 176.600 0.255 0.000 0.987 380 E CA 0.614 57.131 56.400 0.195 0.000 0.926 380 E CB 0.473 30.263 29.700 0.151 0.000 0.934 380 E HN -0.322 8.188 8.360 0.250 0.000 0.452 381 S N 1.295 117.108 115.700 0.189 0.000 2.528 381 S HA -0.063 nan 4.470 nan 0.000 0.277 381 S C 0.395 175.119 174.600 0.206 0.000 1.297 381 S CA 0.165 58.492 58.200 0.211 0.000 1.052 381 S CB 0.422 63.723 63.200 0.169 0.000 0.917 381 S HN -0.133 8.265 8.310 0.146 0.000 0.492 382 T N 3.986 118.686 114.554 0.244 0.000 3.092 382 T HA 0.254 nan 4.350 nan 0.000 0.258 382 T C -0.118 174.688 174.700 0.177 0.000 1.031 382 T CA -1.346 60.849 62.100 0.159 0.000 0.925 382 T CB 0.277 69.206 68.868 0.102 0.000 1.036 382 T HN 1.040 10.159 8.240 0.310 -0.693 0.544 383 F N 3.414 123.415 119.950 0.085 0.000 2.484 383 F HA -0.326 nan 4.527 nan 0.000 0.360 383 F C 0.620 176.450 175.800 0.049 0.000 1.101 383 F CA 1.263 59.304 58.000 0.068 0.000 1.251 383 F CB 0.417 39.456 39.000 0.065 0.000 1.132 383 F HN -0.857 7.598 8.300 0.376 0.071 0.570 384 G N 6.038 114.426 108.800 -0.687 0.000 2.196 384 G HA2 -0.343 nan 3.960 nan 0.000 0.268 384 G HA3 -0.343 nan 3.960 nan 0.000 0.268 384 G C -0.885 173.912 174.900 -0.172 0.000 0.975 384 G CA 0.406 45.241 45.100 -0.440 0.000 0.648 384 G HN 0.374 7.972 8.290 -0.981 0.104 0.538 385 V N 1.712 121.565 119.914 -0.102 0.000 2.655 385 V HA -0.170 nan 4.120 nan 0.000 0.300 385 V C 0.208 176.268 176.094 -0.058 0.000 1.044 385 V CA 1.074 63.345 62.300 -0.049 0.000 1.095 385 V CB -0.042 31.767 31.823 -0.024 0.000 0.952 385 V HN -0.940 7.110 8.190 -0.099 0.081 0.485 386 K N 1.026 121.401 120.400 -0.041 0.000 2.506 386 K HA 0.114 nan 4.320 nan 0.000 0.204 386 K C -1.466 175.120 176.600 -0.024 0.000 1.045 386 K CA -0.501 55.765 56.287 -0.036 0.000 1.074 386 K CB 0.805 33.284 32.500 -0.035 0.000 0.842 386 K HN 0.248 8.480 8.250 -0.031 0.000 0.514 387 D N -2.478 117.909 120.400 -0.022 0.000 2.602 387 D HA 0.058 nan 4.640 nan 0.000 0.236 387 D C 0.585 176.873 176.300 -0.021 0.000 1.209 387 D CA -1.634 52.356 54.000 -0.017 0.000 0.831 387 D CB 2.868 43.660 40.800 -0.012 0.000 1.478 387 D HN -0.827 7.529 8.370 -0.024 0.000 0.438 388 R N 2.459 122.948 120.500 -0.019 0.000 2.083 388 R HA -0.301 nan 4.340 nan 0.000 0.237 388 R C 1.445 177.728 176.300 -0.028 0.000 1.137 388 R CA 3.170 59.256 56.100 -0.024 0.000 0.951 388 R CB 0.102 30.391 30.300 -0.018 0.000 0.851 388 R HN 0.469 8.730 8.270 -0.014 0.000 0.434 389 S N 0.399 116.088 115.700 -0.019 0.000 2.462 389 S HA -0.219 nan 4.470 nan 0.000 0.243 389 S C 1.284 175.873 174.600 -0.018 0.000 1.003 389 S CA 2.602 60.792 58.200 -0.016 0.000 0.970 389 S CB -0.519 62.675 63.200 -0.009 0.000 0.762 389 S HN -0.389 8.096 8.310 -0.015 -0.184 0.510 390 G N -0.870 107.917 108.800 -0.021 0.000 2.985 390 G HA2 -0.038 nan 3.960 nan 0.000 0.209 390 G HA3 -0.038 nan 3.960 nan 0.000 0.209 390 G C -1.035 173.842 174.900 -0.037 0.000 1.165 390 G CA -0.030 45.059 45.100 -0.019 0.000 0.776 390 G HN -0.648 7.441 8.290 -0.023 0.187 0.541 391 L N 1.382 122.568 121.223 -0.063 0.000 2.294 391 L HA 0.326 nan 4.340 nan 0.000 0.283 391 L C -1.813 174.973 176.870 -0.139 0.000 1.015 391 L CA -2.782 51.984 54.840 -0.123 0.000 0.831 391 L CB 1.225 43.201 42.059 -0.139 0.000 1.217 391 L HN -0.013 8.010 8.230 -0.054 0.175 0.420 392 P HA -0.043 nan 4.420 nan 0.000 0.263 392 P C 0.379 177.597 177.300 -0.137 0.000 1.175 392 P CA -0.230 62.805 63.100 -0.109 0.000 0.761 392 P CB 0.669 32.329 31.700 -0.068 0.000 0.794 393 Q N 6.168 125.936 119.800 -0.053 0.000 2.217 393 Q HA -0.455 nan 4.340 nan 0.000 0.209 393 Q C 1.245 177.229 176.000 -0.027 0.000 0.988 393 Q CA 3.860 59.642 55.803 -0.034 0.000 0.878 393 Q CB -0.617 28.123 28.738 0.002 0.000 0.909 393 Q HN 0.728 8.984 8.270 -0.023 0.000 0.424 394 A N -2.178 120.645 122.820 0.005 0.000 1.898 394 A HA -0.231 nan 4.320 nan 0.000 0.216 394 A C 1.612 179.167 177.584 -0.049 0.000 1.181 394 A CA 2.396 54.499 52.037 0.110 0.000 0.620 394 A CB -1.098 18.107 19.000 0.341 0.000 0.819 394 A HN -0.008 8.124 8.150 0.021 0.031 0.442 395 A N -1.217 121.273 122.820 -0.551 0.000 1.930 395 A HA -0.231 nan 4.320 nan 0.000 0.217 395 A C 2.012 179.422 177.584 -0.290 0.000 1.175 395 A CA 2.811 54.266 52.037 -0.969 0.000 0.627 395 A CB -0.781 17.414 19.000 -1.342 0.000 0.815 395 A HN -0.133 7.605 8.150 -0.514 0.104 0.443 396 L N -2.302 118.806 121.223 -0.190 0.000 2.083 396 L HA -0.499 nan 4.340 nan 0.000 0.209 396 L C 2.411 179.275 176.870 -0.010 0.000 1.083 396 L CA 3.333 58.128 54.840 -0.076 0.000 0.752 396 L CB -0.551 41.470 42.059 -0.063 0.000 0.899 396 L HN -0.346 7.746 8.230 -0.230 0.000 0.433 397 N N -0.399 118.314 118.700 0.021 0.000 2.188 397 N HA -0.283 nan 4.740 nan 0.000 0.184 397 N C 2.038 177.613 175.510 0.108 0.000 1.018 397 N CA 2.982 56.068 53.050 0.061 0.000 0.858 397 N CB -0.390 38.143 38.487 0.078 0.000 0.989 397 N HN -0.270 8.111 8.380 0.002 0.000 0.426 398 Y N 2.587 122.899 120.300 0.021 0.000 2.145 398 Y HA -0.372 nan 4.550 nan 0.000 0.286 398 Y C 1.800 177.724 175.900 0.040 0.000 1.145 398 Y CA 3.919 62.064 58.100 0.075 0.000 1.148 398 Y CB -0.015 38.542 38.460 0.161 0.000 0.981 398 Y HN -0.314 8.019 8.280 0.220 0.079 0.507 399 I N -1.696 118.893 120.570 0.032 0.000 2.163 399 I HA -0.705 nan 4.170 nan 0.000 0.243 399 I C 1.694 177.773 176.117 -0.064 0.000 1.085 399 I CA 4.094 65.364 61.300 -0.049 0.000 1.347 399 I CB -0.266 37.735 38.000 0.002 0.000 1.044 399 I HN 0.221 8.509 8.210 0.130 0.000 0.408 400 K N -0.390 119.995 120.400 -0.025 0.000 2.044 400 K HA -0.370 nan 4.320 nan 0.000 0.210 400 K C 2.365 178.948 176.600 -0.028 0.000 1.049 400 K CA 2.706 58.984 56.287 -0.014 0.000 0.927 400 K CB -0.571 31.931 32.500 0.002 0.000 0.713 400 K HN -0.097 8.042 8.250 -0.004 0.109 0.443 401 R N -1.407 119.066 120.500 -0.045 0.000 2.081 401 R HA -0.257 nan 4.340 nan 0.000 0.235 401 R C 2.584 178.835 176.300 -0.083 0.000 1.131 401 R CA 2.239 58.308 56.100 -0.052 0.000 0.960 401 R CB -0.757 29.517 30.300 -0.042 0.000 0.856 401 R HN 0.034 8.180 8.270 -0.031 0.105 0.436 402 I N 0.022 120.493 120.570 -0.165 0.000 2.151 402 I HA -0.588 nan 4.170 nan 0.000 0.243 402 I C 2.056 178.158 176.117 -0.024 0.000 1.080 402 I CA 4.488 65.694 61.300 -0.156 0.000 1.339 402 I CB -0.530 37.312 38.000 -0.263 0.000 1.039 402 I HN -0.176 7.891 8.210 -0.239 0.000 0.409 403 E N -0.921 119.283 120.200 0.007 0.000 2.110 403 E HA -0.396 nan 4.350 nan 0.000 0.193 403 E C 2.773 179.395 176.600 0.036 0.000 0.988 403 E CA 3.521 59.961 56.400 0.066 0.000 0.804 403 E CB -0.488 29.243 29.700 0.051 0.000 0.745 403 E HN -0.371 7.972 8.360 -0.027 0.000 0.458 404 E N -0.045 120.160 120.200 0.009 0.000 2.072 404 E HA -0.257 nan 4.350 nan 0.000 0.191 404 E C 2.395 178.997 176.600 0.004 0.000 0.985 404 E CA 2.570 58.972 56.400 0.004 0.000 0.801 404 E CB -0.013 29.686 29.700 -0.002 0.000 0.750 404 E HN -0.478 7.802 8.360 -0.003 0.078 0.452 405 L N -2.952 118.272 121.223 0.001 0.000 2.376 405 L HA -0.189 nan 4.340 nan 0.000 0.219 405 L C 1.254 178.136 176.870 0.019 0.000 1.133 405 L CA 2.268 57.109 54.840 0.001 0.000 0.816 405 L CB 0.270 42.323 42.059 -0.010 0.000 0.933 405 L HN 0.485 8.593 8.230 -0.009 0.116 0.449 406 T N -7.856 106.730 114.554 0.053 0.000 2.978 406 T HA 0.163 nan 4.350 nan 0.000 0.248 406 T C 1.418 176.139 174.700 0.035 0.000 1.018 406 T CA 0.062 62.212 62.100 0.083 0.000 1.026 406 T CB 1.409 70.417 68.868 0.235 0.000 1.032 406 T HN -0.333 7.921 8.240 0.062 0.024 0.485 407 G N 2.538 111.353 108.800 0.025 0.000 2.157 407 G HA2 -0.248 nan 3.960 nan 0.000 0.248 407 G HA3 -0.248 nan 3.960 nan 0.000 0.248 407 G C -0.700 174.167 174.900 -0.056 0.000 0.979 407 G CA 0.457 45.547 45.100 -0.018 0.000 0.650 407 G HN 0.005 8.214 8.290 0.045 0.108 0.529 408 V N 1.483 121.367 119.914 -0.051 0.000 2.540 408 V HA 0.336 nan 4.120 nan 0.000 0.302 408 V C -2.366 173.701 176.094 -0.045 0.000 1.035 408 V CA -2.933 59.251 62.300 -0.193 0.000 0.873 408 V CB 2.170 33.623 31.823 -0.618 0.000 0.992 408 V HN -0.624 7.546 8.190 0.048 0.048 0.428 409 P HA 0.166 nan 4.420 nan 0.000 0.277 409 P C -1.441 175.932 177.300 0.122 0.000 1.240 409 P CA -1.321 61.803 63.100 0.041 0.000 0.798 409 P CB 1.447 33.154 31.700 0.011 0.000 0.979 410 I N 1.804 122.472 120.570 0.163 0.000 2.282 410 I HA -0.108 nan 4.170 nan 0.000 0.290 410 I C -0.461 175.725 176.117 0.116 0.000 1.090 410 I CA 0.089 61.506 61.300 0.195 0.000 1.231 410 I CB -0.072 38.016 38.000 0.145 0.000 1.434 410 I HN 0.595 9.342 8.210 0.119 -0.466 0.487 411 D N 7.397 127.869 120.400 0.120 0.000 2.277 411 D HA 0.025 nan 4.640 nan 0.000 0.208 411 D C -0.846 175.490 176.300 0.059 0.000 0.962 411 D CA 2.420 56.471 54.000 0.085 0.000 0.865 411 D CB 0.793 41.660 40.800 0.111 0.000 0.939 411 D HN -0.004 8.456 8.370 0.149 0.000 0.510 412 I N -3.464 117.149 120.570 0.072 0.000 2.802 412 I HA 0.543 nan 4.170 nan 0.000 0.298 412 I C -2.230 173.918 176.117 0.051 0.000 1.176 412 I CA -0.650 60.678 61.300 0.046 0.000 1.025 412 I CB 4.815 42.839 38.000 0.040 0.000 1.243 412 I HN -0.683 7.590 8.210 0.105 0.000 0.424 413 I N 3.669 124.258 120.570 0.031 0.000 2.439 413 I HA 0.426 nan 4.170 nan 0.000 0.285 413 I C -1.450 174.676 176.117 0.016 0.000 1.021 413 I CA -1.278 60.040 61.300 0.030 0.000 1.091 413 I CB 2.330 40.343 38.000 0.022 0.000 1.242 413 I HN 0.739 8.855 8.210 0.020 0.106 0.439 414 S N 7.070 122.783 115.700 0.023 0.000 2.411 414 S HA 0.365 nan 4.470 nan 0.000 0.294 414 S C 0.470 175.068 174.600 -0.004 0.000 1.115 414 S CA -0.516 57.688 58.200 0.006 0.000 1.071 414 S CB 1.014 64.225 63.200 0.019 0.000 0.967 414 S HN 0.552 8.884 8.310 0.037 0.000 0.488 415 T N 0.936 115.455 114.554 -0.057 0.000 3.086 415 T HA 0.377 nan 4.350 nan 0.000 0.250 415 T C -0.568 173.960 174.700 -0.287 0.000 1.074 415 T CA -1.032 61.004 62.100 -0.107 0.000 0.988 415 T CB 0.740 69.534 68.868 -0.122 0.000 0.988 415 T HN 0.309 8.507 8.240 -0.071 0.000 0.530 416 G N 0.372 109.033 108.800 -0.232 0.000 2.356 416 G HA2 0.288 nan 3.960 nan 0.000 0.294 416 G HA3 0.288 nan 3.960 nan 0.000 0.294 416 G C -2.676 172.167 174.900 -0.094 0.000 1.423 416 G CA 0.133 45.041 45.100 -0.321 0.000 0.806 416 G HN -0.888 7.274 8.290 -0.126 0.053 0.527 417 P HA -0.121 nan 4.420 nan 0.000 0.219 417 P C -0.962 176.339 177.300 0.003 0.000 1.150 417 P CA 0.904 64.020 63.100 0.027 0.000 0.814 417 P CB 0.676 32.423 31.700 0.079 0.000 0.787 418 D N -0.461 119.928 120.400 -0.017 0.000 2.362 418 D HA -0.122 nan 4.640 nan 0.000 0.242 418 D C 1.777 178.067 176.300 -0.018 0.000 1.132 418 D CA -0.473 53.520 54.000 -0.012 0.000 0.907 418 D CB 1.847 42.639 40.800 -0.014 0.000 1.195 418 D HN -0.222 8.537 8.370 -0.044 -0.415 0.429 419 R N 4.103 124.601 120.500 -0.004 0.000 2.127 419 R HA -0.287 nan 4.340 nan 0.000 0.238 419 R C 1.417 177.711 176.300 -0.010 0.000 1.134 419 R CA 3.157 59.257 56.100 -0.000 0.000 0.975 419 R CB -0.153 30.153 30.300 0.009 0.000 0.865 419 R HN 0.552 8.823 8.270 0.003 0.000 0.447 420 T N -5.686 108.858 114.554 -0.016 0.000 3.055 420 T HA 0.010 nan 4.350 nan 0.000 0.265 420 T C 1.299 175.976 174.700 -0.039 0.000 1.111 420 T CA 2.062 64.150 62.100 -0.021 0.000 1.118 420 T CB -0.408 68.449 68.868 -0.018 0.000 0.909 420 T HN -0.455 7.988 8.240 -0.014 -0.212 0.501 421 E N 2.656 122.820 120.200 -0.060 0.000 2.232 421 E HA 0.142 nan 4.350 nan 0.000 0.296 421 E C -1.694 174.861 176.600 -0.075 0.000 1.372 421 E CA -0.948 55.394 56.400 -0.097 0.000 1.527 421 E CB -1.268 28.329 29.700 -0.172 0.000 1.424 421 E HN -0.431 7.701 8.360 -0.055 0.195 0.485 422 T N 0.790 115.317 114.554 -0.045 0.000 2.900 422 T HA 0.464 nan 4.350 nan 0.000 0.303 422 T C -1.392 173.296 174.700 -0.020 0.000 1.142 422 T CA -0.783 61.300 62.100 -0.027 0.000 1.007 422 T CB 2.779 71.639 68.868 -0.013 0.000 1.156 422 T HN -0.322 7.834 8.240 -0.040 0.061 0.490 423 M N 4.430 124.024 119.600 -0.011 0.000 2.053 423 M HA 0.327 nan 4.480 nan 0.000 0.297 423 M C -1.647 174.653 176.300 -0.000 0.000 0.921 423 M CA -0.787 54.509 55.300 -0.008 0.000 0.918 423 M CB 3.382 35.977 32.600 -0.008 0.000 1.499 423 M HN 0.672 8.958 8.290 -0.007 0.000 0.422 424 I N 4.742 125.311 120.570 -0.003 0.000 2.291 424 I HA 0.070 nan 4.170 nan 0.000 0.290 424 I C -0.223 175.892 176.117 -0.003 0.000 1.050 424 I CA 0.180 61.478 61.300 -0.004 0.000 1.245 424 I CB -0.176 37.818 38.000 -0.011 0.000 1.405 424 I HN 0.509 8.716 8.210 -0.005 0.000 0.478 425 L N 7.856 129.082 121.223 0.004 0.000 2.307 425 L HA -0.016 nan 4.340 nan 0.000 0.211 425 L C 0.857 177.729 176.870 0.002 0.000 1.099 425 L CA 2.025 56.869 54.840 0.007 0.000 0.816 425 L CB 0.441 42.509 42.059 0.016 0.000 0.952 425 L HN 1.041 9.171 8.230 0.010 0.107 0.455 426 R N -2.830 117.666 120.500 -0.007 0.000 2.646 426 R HA 0.126 nan 4.340 nan 0.000 0.226 426 R C -0.750 175.503 176.300 -0.078 0.000 0.928 426 R CA -0.372 55.715 56.100 -0.023 0.000 1.010 426 R CB 2.739 33.043 30.300 0.007 0.000 1.516 426 R HN -0.464 7.803 8.270 -0.005 0.000 0.621 427 D N -0.233 120.100 120.400 -0.111 0.000 5.167 427 D HA -0.096 nan 4.640 nan 0.000 0.237 427 D C -1.661 174.413 176.300 -0.376 0.000 1.278 427 D CA 0.325 54.216 54.000 -0.181 0.000 1.266 427 D CB 0.752 41.493 40.800 -0.099 0.000 0.704 427 D HN -0.279 8.043 8.370 -0.080 0.000 0.350 428 P HA -0.184 nan 4.420 nan 0.000 0.216 428 P C 0.270 177.042 177.300 -0.879 0.000 1.150 428 P CA 2.034 64.373 63.100 -1.268 0.000 0.843 428 P CB 0.152 31.061 31.700 -1.317 0.000 0.787 429 F N -3.379 116.255 119.950 -0.527 0.000 2.325 429 F HA -0.118 nan 4.527 nan 0.000 0.299 429 F C 1.412 176.973 175.800 -0.398 0.000 1.090 429 F CA 2.253 59.877 58.000 -0.625 0.000 1.392 429 F CB -0.170 38.184 39.000 -1.075 0.000 1.053 429 F HN 0.213 8.513 8.300 -0.469 -0.282 0.521 430 D N -2.479 117.865 120.400 -0.094 0.000 2.346 430 D HA 0.006 nan 4.640 nan 0.000 0.206 430 D C 0.423 176.714 176.300 -0.014 0.000 1.001 430 D CA 0.510 54.506 54.000 -0.006 0.000 0.871 430 D CB 0.040 40.843 40.800 0.006 0.000 0.943 430 D HN -0.640 7.782 8.370 -0.150 -0.142 0.518 431 A N 0.000 122.771 122.820 -0.081 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 431 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 431 A HN 0.000 8.042 8.150 -0.181 0.000 0.486