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 1gim_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 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.917 174.900 0.028 0.000 0.946 1 G CA 0.000 45.123 45.100 0.039 0.000 0.502 2 N N 1.337 120.075 118.700 0.063 0.000 2.120 2 N HA -0.257 nan 4.740 nan 0.000 0.188 2 N C -0.474 175.164 175.510 0.214 0.000 1.024 2 N CA 2.297 55.402 53.050 0.091 0.000 0.852 2 N CB 0.386 38.984 38.487 0.185 0.000 1.003 2 N HN 0.352 8.785 8.380 0.089 0.000 0.424 3 N N -0.758 118.074 118.700 0.221 0.000 2.527 3 N HA 0.268 nan 4.740 nan 0.000 0.236 3 N C -1.799 173.857 175.510 0.243 0.000 0.999 3 N CA -0.016 53.217 53.050 0.305 0.000 0.935 3 N CB 1.000 39.719 38.487 0.386 0.000 1.132 3 N HN -0.114 8.810 8.380 0.187 -0.431 0.511 4 V N 5.982 126.002 119.914 0.177 0.000 2.384 4 V HA 0.539 nan 4.120 nan 0.000 0.287 4 V C -0.945 175.240 176.094 0.152 0.000 1.020 4 V CA -0.829 61.490 62.300 0.031 0.000 0.850 4 V CB 1.501 33.069 31.823 -0.425 0.000 0.987 4 V HN 0.502 8.821 8.190 0.216 0.000 0.436 5 V N 8.742 128.759 119.914 0.170 0.000 2.465 5 V HA 0.555 nan 4.120 nan 0.000 0.279 5 V C -1.332 174.842 176.094 0.133 0.000 1.045 5 V CA -0.652 61.759 62.300 0.184 0.000 0.938 5 V CB 0.638 32.494 31.823 0.056 0.000 0.986 5 V HN 0.568 8.845 8.190 0.145 0.000 0.467 6 V N 7.181 127.190 119.914 0.159 0.000 2.407 6 V HA 0.867 nan 4.120 nan 0.000 0.291 6 V C -1.627 174.544 176.094 0.128 0.000 1.018 6 V CA -0.906 61.457 62.300 0.105 0.000 0.842 6 V CB 0.297 32.153 31.823 0.055 0.000 0.996 6 V HN 0.883 9.103 8.190 0.231 0.109 0.426 7 L N 2.210 123.494 121.223 0.101 0.000 2.397 7 L HA 0.895 nan 4.340 nan 0.000 0.251 7 L C -1.845 175.062 176.870 0.062 0.000 1.064 7 L CA -1.743 53.156 54.840 0.098 0.000 0.859 7 L CB 3.224 45.372 42.059 0.148 0.000 1.468 7 L HN 0.494 8.774 8.230 0.084 0.000 0.411 8 G N -2.516 106.313 108.800 0.048 0.000 2.338 8 G HA2 0.141 nan 3.960 nan 0.000 0.295 8 G HA3 0.141 nan 3.960 nan 0.000 0.295 8 G C -0.146 174.748 174.900 -0.009 0.000 1.132 8 G CA -0.610 44.504 45.100 0.022 0.000 0.922 8 G HN 0.422 8.746 8.290 0.057 0.000 0.427 9 T N 1.331 115.880 114.554 -0.007 0.000 3.148 9 T HA 0.011 nan 4.350 nan 0.000 0.253 9 T C 0.234 174.830 174.700 -0.173 0.000 1.134 9 T CA 1.231 63.312 62.100 -0.032 0.000 1.051 9 T CB -0.546 68.365 68.868 0.071 0.000 0.959 9 T HN 0.030 8.280 8.240 0.017 0.000 0.525 10 Q N -0.206 119.449 119.800 -0.243 0.000 2.784 10 Q HA 0.253 nan 4.340 nan 0.000 0.207 10 Q C -0.747 174.863 176.000 -0.650 0.000 1.021 10 Q CA 0.439 55.900 55.803 -0.570 0.000 0.417 10 Q CB 2.537 31.081 28.738 -0.324 0.000 4.567 10 Q HN -0.413 7.970 8.270 -0.141 -0.198 0.306 11 W N -1.122 120.126 121.300 -0.087 0.000 1.513 11 W HA 0.275 nan 4.660 nan 0.000 0.311 11 W C -0.533 175.944 176.519 -0.069 0.000 0.821 11 W CA -1.079 56.203 57.345 -0.105 0.000 2.622 11 W CB 0.294 29.631 29.460 -0.205 0.000 1.907 11 W HN 0.285 8.520 8.180 0.092 0.000 0.562 12 G N 0.742 109.602 108.800 0.101 0.000 2.888 12 G HA2 -0.438 nan 3.960 nan 0.000 0.441 12 G HA3 -0.438 nan 3.960 nan 0.000 0.441 12 G C -2.077 172.878 174.900 0.091 0.000 1.461 12 G CA 0.183 45.338 45.100 0.092 0.000 0.897 12 G HN -0.695 7.728 8.290 0.035 -0.111 0.547 13 D N -3.950 116.507 120.400 0.094 0.000 3.076 13 D HA -0.309 nan 4.640 nan 0.000 0.218 13 D C 0.788 177.118 176.300 0.049 0.000 1.156 13 D CA 1.937 55.986 54.000 0.082 0.000 0.921 13 D CB -0.999 39.840 40.800 0.065 0.000 1.113 13 D HN 0.356 8.795 8.370 0.115 0.000 0.418 14 E N -2.960 117.261 120.200 0.036 0.000 2.442 14 E HA -0.105 nan 4.350 nan 0.000 0.195 14 E C 0.919 177.524 176.600 0.008 0.000 1.030 14 E CA 0.801 57.201 56.400 -0.001 0.000 0.869 14 E CB -0.068 29.628 29.700 -0.006 0.000 0.857 14 E HN 0.411 8.750 8.360 0.047 0.049 0.505 15 G N -1.626 107.191 108.800 0.029 0.000 2.161 15 G HA2 -0.236 nan 3.960 nan 0.000 0.140 15 G HA3 -0.236 nan 3.960 nan 0.000 0.140 15 G C 0.582 175.484 174.900 0.004 0.000 1.040 15 G CA -0.236 44.881 45.100 0.027 0.000 0.735 15 G HN 0.095 8.375 8.290 0.042 0.035 0.496 16 K N 1.814 122.201 120.400 -0.022 0.000 2.032 16 K HA -0.377 nan 4.320 nan 0.000 0.209 16 K C 1.667 178.178 176.600 -0.148 0.000 1.048 16 K CA 3.624 59.858 56.287 -0.090 0.000 0.927 16 K CB -0.188 32.228 32.500 -0.141 0.000 0.712 16 K HN 0.174 8.425 8.250 0.001 0.000 0.441 17 G N -1.561 107.106 108.800 -0.221 0.000 2.545 17 G HA2 -0.440 nan 3.960 nan 0.000 0.217 17 G HA3 -0.440 nan 3.960 nan 0.000 0.217 17 G C 0.662 175.534 174.900 -0.047 0.000 1.218 17 G CA 2.193 47.195 45.100 -0.163 0.000 0.787 17 G HN 0.362 8.526 8.290 -0.210 0.000 0.571 18 K N 1.918 122.314 120.400 -0.006 0.000 2.089 18 K HA -0.304 nan 4.320 nan 0.000 0.210 18 K C 2.301 178.899 176.600 -0.002 0.000 1.048 18 K CA 2.905 59.196 56.287 0.007 0.000 0.926 18 K CB -0.254 32.257 32.500 0.019 0.000 0.714 18 K HN -0.153 8.101 8.250 0.005 0.000 0.448 19 I N -1.523 119.040 120.570 -0.010 0.000 2.202 19 I HA -0.317 nan 4.170 nan 0.000 0.242 19 I C 1.997 178.106 176.117 -0.012 0.000 1.091 19 I CA 2.293 63.587 61.300 -0.010 0.000 1.368 19 I CB -1.182 36.813 38.000 -0.007 0.000 1.058 19 I HN -0.686 7.508 8.210 -0.016 0.006 0.410 20 V N 0.662 120.563 119.914 -0.022 0.000 2.343 20 V HA -0.513 nan 4.120 nan 0.000 0.247 20 V C 2.227 178.328 176.094 0.013 0.000 1.051 20 V CA 4.865 67.160 62.300 -0.008 0.000 1.036 20 V CB -1.316 30.494 31.823 -0.022 0.000 0.654 20 V HN 0.403 8.569 8.190 -0.041 0.000 0.451 21 D N -0.306 120.097 120.400 0.005 0.000 2.104 21 D HA -0.296 nan 4.640 nan 0.000 0.194 21 D C 1.964 178.280 176.300 0.025 0.000 0.994 21 D CA 3.498 57.508 54.000 0.017 0.000 0.830 21 D CB 0.269 41.077 40.800 0.014 0.000 0.959 21 D HN -0.107 8.257 8.370 -0.010 0.000 0.452 22 L N -0.428 120.806 121.223 0.019 0.000 1.994 22 L HA -0.271 nan 4.340 nan 0.000 0.208 22 L C 2.090 178.986 176.870 0.043 0.000 1.071 22 L CA 3.213 58.067 54.840 0.023 0.000 0.745 22 L CB 0.112 42.177 42.059 0.011 0.000 0.892 22 L HN -0.200 7.970 8.230 0.011 0.066 0.431 23 L N -4.030 117.218 121.223 0.042 0.000 2.291 23 L HA -0.274 nan 4.340 nan 0.000 0.214 23 L C 1.950 178.937 176.870 0.196 0.000 1.120 23 L CA 2.325 57.216 54.840 0.085 0.000 0.799 23 L CB -0.438 41.611 42.059 -0.017 0.000 0.925 23 L HN 0.411 8.544 8.230 0.020 0.108 0.446 24 T N -3.719 110.919 114.554 0.140 0.000 3.155 24 T HA -0.267 nan 4.350 nan 0.000 0.264 24 T C 1.766 176.537 174.700 0.118 0.000 1.160 24 T CA 2.504 64.698 62.100 0.158 0.000 1.075 24 T CB -1.296 67.627 68.868 0.093 0.000 0.921 24 T HN 0.439 8.630 8.240 0.088 0.102 0.533 25 E N 2.888 123.151 120.200 0.105 0.000 2.273 25 E HA -0.323 nan 4.350 nan 0.000 0.198 25 E C 1.128 177.750 176.600 0.038 0.000 1.002 25 E CA 2.553 58.988 56.400 0.059 0.000 0.828 25 E CB -0.273 29.462 29.700 0.058 0.000 0.747 25 E HN -0.460 7.893 8.360 0.112 0.074 0.491 26 R N -4.117 116.431 120.500 0.080 0.000 2.476 26 R HA 0.155 nan 4.340 nan 0.000 0.276 26 R C -1.044 175.199 176.300 -0.095 0.000 0.941 26 R CA -0.835 55.253 56.100 -0.020 0.000 1.088 26 R CB 1.045 31.384 30.300 0.066 0.000 1.216 26 R HN -0.855 7.490 8.270 0.183 0.034 0.533 27 A N -0.901 121.921 122.820 0.003 0.000 2.316 27 A HA 0.139 nan 4.320 nan 0.000 0.284 27 A C -0.550 176.982 177.584 -0.086 0.000 1.115 27 A CA -0.373 51.678 52.037 0.024 0.000 0.812 27 A CB 0.975 20.086 19.000 0.185 0.000 1.064 27 A HN -0.383 7.620 8.150 0.068 0.188 0.489 28 K N 0.627 120.947 120.400 -0.134 0.000 2.099 28 K HA 0.140 nan 4.320 nan 0.000 0.203 28 K C 0.310 176.595 176.600 -0.526 0.000 1.047 28 K CA 2.020 58.071 56.287 -0.393 0.000 0.963 28 K CB 2.248 34.433 32.500 -0.526 0.000 0.759 28 K HN 0.529 8.660 8.250 -0.015 0.110 0.451 29 Y N -4.920 115.370 120.300 -0.016 0.000 2.631 29 Y HA 0.605 nan 4.550 nan 0.000 0.328 29 Y C -0.694 175.183 175.900 -0.039 0.000 1.118 29 Y CA -1.007 57.073 58.100 -0.033 0.000 1.206 29 Y CB 3.107 41.531 38.460 -0.061 0.000 1.337 29 Y HN -0.663 7.671 8.280 0.090 0.000 0.515 30 V N -1.174 118.816 119.914 0.127 0.000 2.777 30 V HA 0.503 nan 4.120 nan 0.000 0.306 30 V C -2.082 174.042 176.094 0.049 0.000 1.112 30 V CA -0.086 62.246 62.300 0.054 0.000 0.917 30 V CB 2.991 34.851 31.823 0.062 0.000 1.018 30 V HN -0.011 8.289 8.190 0.183 0.000 0.426 31 V N 5.611 125.539 119.914 0.023 0.000 2.638 31 V HA 0.682 nan 4.120 nan 0.000 0.306 31 V C -1.471 174.775 176.094 0.253 0.000 1.052 31 V CA -1.579 60.801 62.300 0.133 0.000 0.885 31 V CB 3.347 35.266 31.823 0.161 0.000 0.999 31 V HN 0.747 8.922 8.190 -0.025 0.000 0.424 32 R N 4.966 125.580 120.500 0.190 0.000 2.294 32 R HA 0.630 nan 4.340 nan 0.000 0.319 32 R C -0.264 176.132 176.300 0.159 0.000 0.984 32 R CA -1.849 54.309 56.100 0.095 0.000 0.861 32 R CB 1.727 32.061 30.300 0.058 0.000 1.104 32 R HN 0.335 8.701 8.270 0.160 0.000 0.451 33 Y N -0.049 120.355 120.300 0.173 0.000 2.453 33 Y HA 0.155 nan 4.550 nan 0.000 0.247 33 Y C -2.110 173.872 175.900 0.136 0.000 1.124 33 Y CA -2.089 56.104 58.100 0.155 0.000 1.243 33 Y CB 1.392 39.940 38.460 0.146 0.000 1.213 33 Y HN -0.143 7.762 8.280 -0.626 0.000 0.523 34 Q N -5.359 114.354 119.800 -0.145 0.000 2.687 34 Q HA 0.200 nan 4.340 nan 0.000 0.295 34 Q C -0.420 175.600 176.000 0.034 0.000 0.920 34 Q CA -0.942 54.880 55.803 0.033 0.000 0.766 34 Q CB 2.680 31.458 28.738 0.067 0.000 1.467 34 Q HN -0.713 7.333 8.270 -0.373 0.000 0.415 35 G N -0.391 108.520 108.800 0.186 0.000 2.632 35 G HA2 -0.428 nan 3.960 nan 0.000 0.224 35 G HA3 -0.428 nan 3.960 nan 0.000 0.224 35 G C -1.987 173.012 174.900 0.165 0.000 1.341 35 G CA -0.142 45.067 45.100 0.180 0.000 0.880 35 G HN -0.202 8.291 8.290 0.339 0.000 0.566 36 G N -0.810 108.074 108.800 0.139 0.000 2.899 36 G HA2 0.333 nan 3.960 nan 0.000 0.137 36 G HA3 0.333 nan 3.960 nan 0.000 0.137 36 G C -0.921 174.097 174.900 0.198 0.000 1.198 36 G CA 1.104 46.293 45.100 0.149 0.000 1.126 36 G HN 0.219 8.920 8.290 0.129 -0.334 0.589 37 H N 0.647 119.722 119.070 0.008 0.000 2.555 37 H HA 0.129 nan 4.556 nan 0.000 0.283 37 H C -0.017 175.298 175.328 -0.022 0.000 1.037 37 H CA -0.735 55.316 56.048 0.004 0.000 1.169 37 H CB -0.784 28.959 29.762 -0.031 0.000 1.375 37 H HN 0.446 9.095 8.280 0.616 0.000 0.582 38 N N -0.441 118.238 118.700 -0.035 0.000 2.354 38 N HA -0.192 nan 4.740 nan 0.000 0.179 38 N C -0.014 175.492 175.510 -0.008 0.000 1.021 38 N CA 0.767 53.768 53.050 -0.081 0.000 0.887 38 N CB -0.995 37.472 38.487 -0.033 0.000 0.974 38 N HN -0.074 8.243 8.380 0.052 0.094 0.437 39 A N 0.151 122.994 122.820 0.039 0.000 2.327 39 A HA 0.134 nan 4.320 nan 0.000 0.255 39 A C -1.278 176.277 177.584 -0.048 0.000 1.099 39 A CA 0.538 52.575 52.037 0.001 0.000 0.801 39 A CB 0.828 19.854 19.000 0.045 0.000 1.062 39 A HN -0.947 7.220 8.150 0.068 0.024 0.496 40 G N -1.155 107.439 108.800 -0.344 0.000 2.596 40 G HA2 0.232 nan 3.960 nan 0.000 0.300 40 G HA3 0.232 nan 3.960 nan 0.000 0.300 40 G C -2.009 172.600 174.900 -0.485 0.000 1.370 40 G CA 0.206 45.090 45.100 -0.362 0.000 1.170 40 G HN -0.069 8.022 8.290 -0.331 0.000 0.594 41 H N 2.385 121.409 119.070 -0.077 0.000 2.717 41 H HA 0.417 nan 4.556 nan 0.000 0.366 41 H C -0.967 174.328 175.328 -0.054 0.000 1.132 41 H CA -2.137 53.888 56.048 -0.038 0.000 1.180 41 H CB 3.402 33.150 29.762 -0.023 0.000 1.678 41 H HN 0.419 8.288 8.280 -0.686 0.000 0.537 42 T N 4.596 119.211 114.554 0.100 0.000 2.770 42 T HA 0.370 nan 4.350 nan 0.000 0.297 42 T C -1.078 173.661 174.700 0.066 0.000 0.997 42 T CA -0.095 62.040 62.100 0.058 0.000 0.949 42 T CB 0.077 68.980 68.868 0.058 0.000 0.941 42 T HN 0.403 8.719 8.240 0.126 0.000 0.457 43 L N 8.180 129.434 121.223 0.050 0.000 2.334 43 L HA 0.532 nan 4.340 nan 0.000 0.275 43 L C -1.395 175.497 176.870 0.037 0.000 1.036 43 L CA -0.737 54.129 54.840 0.042 0.000 0.807 43 L CB 2.684 44.764 42.059 0.035 0.000 1.231 43 L HN 1.079 9.215 8.230 0.038 0.117 0.438 44 V N 2.843 122.779 119.914 0.036 0.000 2.532 44 V HA 0.464 nan 4.120 nan 0.000 0.294 44 V C -1.593 174.519 176.094 0.031 0.000 1.036 44 V CA -0.848 61.474 62.300 0.037 0.000 0.876 44 V CB 1.809 33.661 31.823 0.049 0.000 1.012 44 V HN 0.353 8.563 8.190 0.033 0.000 0.432 45 I N 7.270 127.856 120.570 0.027 0.000 2.378 45 I HA 0.350 nan 4.170 nan 0.000 0.291 45 I C -0.903 175.229 176.117 0.024 0.000 0.992 45 I CA -2.472 58.842 61.300 0.023 0.000 1.154 45 I CB 1.879 39.890 38.000 0.018 0.000 1.315 45 I HN 0.812 9.038 8.210 0.027 0.000 0.448 46 N N 7.540 126.255 118.700 0.025 0.000 2.698 46 N HA -0.437 nan 4.740 nan 0.000 0.258 46 N C 0.826 176.355 175.510 0.032 0.000 0.978 46 N CA 1.158 54.225 53.050 0.028 0.000 0.777 46 N CB -2.190 36.310 38.487 0.022 0.000 0.907 46 N HN 0.718 9.268 8.380 0.023 -0.156 0.543 47 G N -3.487 105.337 108.800 0.041 0.000 2.377 47 G HA2 -0.576 nan 3.960 nan 0.000 0.250 47 G HA3 -0.576 nan 3.960 nan 0.000 0.250 47 G C -0.920 174.001 174.900 0.034 0.000 1.039 47 G CA 0.364 45.490 45.100 0.043 0.000 0.625 47 G HN 0.315 8.965 8.290 0.045 -0.332 0.526 48 E N 2.999 123.216 120.200 0.028 0.000 2.324 48 E HA -0.046 nan 4.350 nan 0.000 0.271 48 E C -1.291 175.324 176.600 0.025 0.000 1.028 48 E CA -0.042 56.372 56.400 0.023 0.000 0.890 48 E CB 0.998 30.709 29.700 0.019 0.000 1.004 48 E HN -0.061 8.139 8.360 0.027 0.177 0.431 49 K N 4.640 125.054 120.400 0.024 0.000 2.123 49 K HA 0.537 nan 4.320 nan 0.000 0.259 49 K C -1.012 175.599 176.600 0.018 0.000 0.960 49 K CA -1.418 54.884 56.287 0.025 0.000 0.872 49 K CB 1.834 34.351 32.500 0.028 0.000 1.079 49 K HN -0.016 8.247 8.250 0.021 0.000 0.440 50 T N 5.985 120.549 114.554 0.016 0.000 2.879 50 T HA 0.296 nan 4.350 nan 0.000 0.290 50 T C -2.035 172.659 174.700 -0.009 0.000 0.993 50 T CA -0.132 61.972 62.100 0.006 0.000 0.975 50 T CB 2.252 71.126 68.868 0.011 0.000 0.981 50 T HN 0.842 8.983 8.240 0.022 0.112 0.439 51 V N 7.186 127.076 119.914 -0.040 0.000 2.328 51 V HA 0.694 nan 4.120 nan 0.000 0.278 51 V C -0.911 175.037 176.094 -0.243 0.000 1.021 51 V CA -0.826 61.401 62.300 -0.121 0.000 0.838 51 V CB 0.069 31.834 31.823 -0.097 0.000 0.999 51 V HN 0.408 8.582 8.190 -0.026 0.000 0.447 52 L N 6.326 127.379 121.223 -0.284 0.000 2.332 52 L HA 0.574 nan 4.340 nan 0.000 0.269 52 L C -0.591 175.900 176.870 -0.631 0.000 1.016 52 L CA -1.423 53.251 54.840 -0.277 0.000 0.809 52 L CB 1.980 44.038 42.059 -0.001 0.000 1.280 52 L HN 0.664 8.775 8.230 -0.199 0.000 0.447 53 H N -0.893 118.153 119.070 -0.040 0.000 2.356 53 H HA 0.300 nan 4.556 nan 0.000 0.149 53 H C 1.673 177.007 175.328 0.010 0.000 1.057 53 H CA 1.843 57.843 56.048 -0.079 0.000 1.093 53 H CB 2.131 31.890 29.762 -0.005 0.000 0.960 53 H HN 0.537 9.125 8.280 -0.042 -0.333 0.316 54 L N 0.503 121.838 121.223 0.186 0.000 2.209 54 L HA 0.092 nan 4.340 nan 0.000 0.207 54 L C -0.024 176.905 176.870 0.099 0.000 1.094 54 L CA 0.811 55.726 54.840 0.124 0.000 0.790 54 L CB 1.061 43.165 42.059 0.076 0.000 0.932 54 L HN -0.406 8.430 8.230 0.219 -0.475 0.447 55 I N 0.016 120.639 120.570 0.088 0.000 2.496 55 I HA -0.001 nan 4.170 nan 0.000 0.285 55 I C -1.857 174.317 176.117 0.094 0.000 1.080 55 I CA -1.867 59.478 61.300 0.076 0.000 1.404 55 I CB -0.217 37.817 38.000 0.056 0.000 1.403 55 I HN -0.666 7.875 8.210 0.087 -0.279 0.539 56 P HA -0.076 nan 4.420 nan 0.000 0.266 56 P C -0.223 177.116 177.300 0.063 0.000 1.193 56 P CA 0.312 63.458 63.100 0.076 0.000 0.770 56 P CB 0.495 32.236 31.700 0.070 0.000 0.836 57 S N 2.937 118.661 115.700 0.039 0.000 2.786 57 S HA -0.077 nan 4.470 nan 0.000 0.223 57 S C 0.486 175.101 174.600 0.025 0.000 0.956 57 S CA 1.717 59.932 58.200 0.026 0.000 0.961 57 S CB -0.384 62.798 63.200 -0.030 0.000 0.784 57 S HN 0.583 9.444 8.310 0.016 -0.541 0.519 58 G N -1.446 107.374 108.800 0.032 0.000 3.192 58 G HA2 0.312 nan 3.960 nan 0.000 0.239 58 G HA3 0.312 nan 3.960 nan 0.000 0.239 58 G C 0.198 175.113 174.900 0.024 0.000 1.084 58 G CA -0.534 44.584 45.100 0.030 0.000 0.784 58 G HN -0.273 7.952 8.290 0.039 0.088 0.540 59 I N 2.357 122.944 120.570 0.028 0.000 2.700 59 I HA -0.284 nan 4.170 nan 0.000 0.261 59 I C -0.074 176.053 176.117 0.016 0.000 1.219 59 I CA 1.228 62.542 61.300 0.024 0.000 1.463 59 I CB 0.444 38.462 38.000 0.031 0.000 1.092 59 I HN -0.656 7.521 8.210 0.034 0.054 0.452 60 L N -2.926 118.306 121.223 0.015 0.000 2.558 60 L HA -0.021 nan 4.340 nan 0.000 0.225 60 L C -0.059 176.814 176.870 0.005 0.000 1.128 60 L CA -0.052 54.794 54.840 0.011 0.000 0.868 60 L CB -0.367 41.700 42.059 0.013 0.000 1.006 60 L HN -0.411 7.782 8.230 0.019 0.048 0.454 61 R N -0.387 120.115 120.500 0.003 0.000 2.215 61 R HA 0.170 nan 4.340 nan 0.000 0.336 61 R C 0.232 176.522 176.300 -0.017 0.000 0.996 61 R CA -0.860 55.237 56.100 -0.005 0.000 0.847 61 R CB 0.214 30.514 30.300 -0.001 0.000 1.127 61 R HN -0.343 7.768 8.270 0.006 0.163 0.465 62 E N 8.924 129.112 120.200 -0.020 0.000 2.086 62 E HA -0.441 nan 4.350 nan 0.000 0.200 62 E C 0.220 176.792 176.600 -0.047 0.000 1.012 62 E CA 2.832 59.214 56.400 -0.029 0.000 0.812 62 E CB -0.187 29.497 29.700 -0.027 0.000 0.743 62 E HN 0.713 9.063 8.360 -0.016 0.000 0.453 63 N N -5.420 113.246 118.700 -0.057 0.000 2.609 63 N HA -0.152 nan 4.740 nan 0.000 0.190 63 N C -0.481 174.961 175.510 -0.115 0.000 1.157 63 N CA 0.428 53.426 53.050 -0.086 0.000 0.918 63 N CB -0.409 38.026 38.487 -0.086 0.000 0.978 63 N HN -0.310 8.042 8.380 -0.046 0.000 0.448 64 V N -0.579 119.282 119.914 -0.089 0.000 2.581 64 V HA 0.300 nan 4.120 nan 0.000 0.303 64 V C -0.162 175.878 176.094 -0.090 0.000 1.041 64 V CA -0.961 61.278 62.300 -0.103 0.000 0.907 64 V CB 1.575 33.371 31.823 -0.046 0.000 0.994 64 V HN -0.504 7.463 8.190 -0.060 0.186 0.442 65 T N 9.604 124.082 114.554 -0.127 0.000 2.801 65 T HA 0.329 nan 4.350 nan 0.000 0.306 65 T C -0.929 173.813 174.700 0.071 0.000 1.020 65 T CA -1.038 61.042 62.100 -0.033 0.000 0.948 65 T CB 0.254 69.094 68.868 -0.047 0.000 0.962 65 T HN 1.144 9.132 8.240 -0.227 0.116 0.465 66 S N 7.067 122.804 115.700 0.063 0.000 2.580 66 S HA 0.622 nan 4.470 nan 0.000 0.274 66 S C -1.271 173.389 174.600 0.101 0.000 1.329 66 S CA 0.821 59.069 58.200 0.079 0.000 1.036 66 S CB 0.914 64.148 63.200 0.058 0.000 0.919 66 S HN 0.328 8.663 8.310 0.042 0.000 0.515 67 I N 1.951 122.583 120.570 0.104 0.000 2.610 67 I HA 0.472 nan 4.170 nan 0.000 0.289 67 I C -2.051 174.128 176.117 0.103 0.000 1.163 67 I CA -0.540 60.822 61.300 0.103 0.000 1.044 67 I CB 3.957 42.022 38.000 0.109 0.000 1.251 67 I HN 0.258 8.528 8.210 0.100 0.000 0.424 68 I N 4.336 124.961 120.570 0.092 0.000 2.307 68 I HA 0.694 nan 4.170 nan 0.000 0.289 68 I C -1.332 174.847 176.117 0.103 0.000 1.021 68 I CA -2.175 59.180 61.300 0.093 0.000 1.224 68 I CB 0.378 38.419 38.000 0.069 0.000 1.376 68 I HN 0.454 8.714 8.210 0.082 0.000 0.470 69 G N 5.113 113.995 108.800 0.137 0.000 2.616 69 G HA2 0.096 nan 3.960 nan 0.000 0.268 69 G HA3 0.096 nan 3.960 nan 0.000 0.268 69 G C 0.698 175.674 174.900 0.126 0.000 1.213 69 G CA -1.796 43.392 45.100 0.146 0.000 0.926 69 G HN 0.579 8.965 8.290 0.160 0.000 0.523 70 N N 0.862 119.633 118.700 0.119 0.000 2.258 70 N HA -0.389 nan 4.740 nan 0.000 0.187 70 N C 1.884 177.468 175.510 0.122 0.000 1.012 70 N CA 2.631 55.743 53.050 0.102 0.000 0.870 70 N CB -0.510 38.033 38.487 0.094 0.000 0.977 70 N HN 0.455 8.909 8.380 0.123 0.000 0.434 71 G N -0.313 108.586 108.800 0.164 0.000 2.432 71 G HA2 -0.213 nan 3.960 nan 0.000 0.219 71 G HA3 -0.213 nan 3.960 nan 0.000 0.219 71 G C -0.495 174.537 174.900 0.220 0.000 1.135 71 G CA 1.138 46.364 45.100 0.210 0.000 0.767 71 G HN -0.449 7.827 8.290 0.179 0.122 0.550 72 V N 2.494 122.494 119.914 0.144 0.000 2.521 72 V HA 0.012 nan 4.120 nan 0.000 0.286 72 V C 0.389 176.474 176.094 -0.014 0.000 1.034 72 V CA 0.938 63.292 62.300 0.091 0.000 1.045 72 V CB -0.349 31.515 31.823 0.069 0.000 0.974 72 V HN -0.477 7.769 8.190 0.133 0.024 0.480 73 V N 4.512 124.346 119.914 -0.134 0.000 2.389 73 V HA 0.297 nan 4.120 nan 0.000 0.264 73 V C -0.967 175.058 176.094 -0.116 0.000 1.049 73 V CA -1.278 60.868 62.300 -0.255 0.000 0.932 73 V CB -0.739 30.748 31.823 -0.561 0.000 1.011 73 V HN 0.016 8.160 8.190 -0.077 0.000 0.475 74 L N 7.190 128.361 121.223 -0.087 0.000 2.289 74 L HA 0.511 nan 4.340 nan 0.000 0.285 74 L C -1.457 175.349 176.870 -0.107 0.000 1.049 74 L CA -1.076 53.718 54.840 -0.076 0.000 0.804 74 L CB 2.876 44.910 42.059 -0.042 0.000 1.195 74 L HN 0.862 9.040 8.230 -0.087 0.000 0.428 75 S N 5.961 121.548 115.700 -0.187 0.000 2.448 75 S HA 0.472 nan 4.470 nan 0.000 0.320 75 S C -1.188 173.303 174.600 -0.183 0.000 1.071 75 S CA -4.339 53.717 58.200 -0.242 0.000 1.113 75 S CB 0.312 63.166 63.200 -0.578 0.000 0.972 75 S HN 0.366 8.547 8.310 -0.215 0.000 0.465 76 P HA -0.252 nan 4.420 nan 0.000 0.215 76 P C 0.244 177.492 177.300 -0.087 0.000 1.157 76 P CA 2.809 65.859 63.100 -0.083 0.000 0.874 76 P CB 0.060 31.723 31.700 -0.063 0.000 0.790 77 A N -4.079 118.686 122.820 -0.092 0.000 1.908 77 A HA -0.265 nan 4.320 nan 0.000 0.218 77 A C 1.835 179.369 177.584 -0.083 0.000 1.181 77 A CA 2.779 54.772 52.037 -0.073 0.000 0.627 77 A CB -0.981 17.983 19.000 -0.059 0.000 0.818 77 A HN 0.177 8.269 8.150 -0.096 0.000 0.445 78 A N -0.882 121.846 122.820 -0.154 0.000 1.858 78 A HA -0.255 nan 4.320 nan 0.000 0.216 78 A C 1.851 179.388 177.584 -0.078 0.000 1.190 78 A CA 2.764 54.705 52.037 -0.159 0.000 0.617 78 A CB -0.710 18.024 19.000 -0.442 0.000 0.827 78 A HN -0.692 7.327 8.150 -0.219 0.000 0.443 79 L N -0.854 120.317 121.223 -0.086 0.000 1.970 79 L HA -0.341 nan 4.340 nan 0.000 0.212 79 L C 1.979 178.839 176.870 -0.018 0.000 1.071 79 L CA 2.979 57.797 54.840 -0.036 0.000 0.751 79 L CB -0.479 41.557 42.059 -0.038 0.000 0.889 79 L HN -0.022 8.131 8.230 -0.128 0.000 0.432 80 M N -2.707 116.876 119.600 -0.028 0.000 2.089 80 M HA -0.533 nan 4.480 nan 0.000 0.257 80 M C 2.325 178.622 176.300 -0.005 0.000 1.071 80 M CA 2.829 58.118 55.300 -0.017 0.000 1.096 80 M CB -1.639 30.947 32.600 -0.024 0.000 1.330 80 M HN -0.569 7.695 8.290 -0.043 0.000 0.403 81 K N -0.661 119.736 120.400 -0.004 0.000 2.057 81 K HA -0.369 nan 4.320 nan 0.000 0.207 81 K C 2.372 178.989 176.600 0.028 0.000 1.049 81 K CA 3.410 59.704 56.287 0.011 0.000 0.931 81 K CB -0.305 32.203 32.500 0.013 0.000 0.714 81 K HN -0.339 7.902 8.250 -0.016 0.000 0.440 82 E N -0.708 119.515 120.200 0.038 0.000 2.152 82 E HA -0.290 nan 4.350 nan 0.000 0.192 82 E C 2.271 178.890 176.600 0.032 0.000 0.983 82 E CA 2.480 58.911 56.400 0.052 0.000 0.818 82 E CB 0.065 29.807 29.700 0.069 0.000 0.758 82 E HN -0.595 7.783 8.360 0.030 0.000 0.467 83 M N 1.032 120.645 119.600 0.021 0.000 2.066 83 M HA -0.428 nan 4.480 nan 0.000 0.259 83 M C 1.158 177.466 176.300 0.013 0.000 1.074 83 M CA 4.145 59.454 55.300 0.015 0.000 1.114 83 M CB 0.187 32.792 32.600 0.008 0.000 1.306 83 M HN 0.459 8.579 8.290 0.017 0.181 0.411 84 K N -1.230 119.176 120.400 0.010 0.000 2.044 84 K HA -0.477 nan 4.320 nan 0.000 0.210 84 K C 1.940 178.547 176.600 0.012 0.000 1.049 84 K CA 3.838 60.130 56.287 0.009 0.000 0.927 84 K CB -0.214 32.290 32.500 0.007 0.000 0.713 84 K HN -0.268 7.988 8.250 0.009 0.000 0.443 85 E N -2.580 117.631 120.200 0.017 0.000 2.171 85 E HA -0.303 nan 4.350 nan 0.000 0.197 85 E C 2.149 178.759 176.600 0.016 0.000 0.997 85 E CA 2.733 59.144 56.400 0.019 0.000 0.810 85 E CB -0.241 29.476 29.700 0.027 0.000 0.738 85 E HN -0.625 7.747 8.360 0.020 0.000 0.467 86 L N -3.252 117.980 121.223 0.016 0.000 2.162 86 L HA -0.110 nan 4.340 nan 0.000 0.205 86 L C 1.904 178.780 176.870 0.011 0.000 1.086 86 L CA 2.197 57.045 54.840 0.014 0.000 0.778 86 L CB 0.223 42.291 42.059 0.016 0.000 0.928 86 L HN -0.665 7.464 8.230 0.018 0.112 0.446 87 E N 1.028 121.233 120.200 0.010 0.000 2.072 87 E HA -0.351 nan 4.350 nan 0.000 0.191 87 E C 2.986 179.590 176.600 0.006 0.000 0.985 87 E CA 3.422 59.826 56.400 0.007 0.000 0.801 87 E CB -0.235 29.468 29.700 0.006 0.000 0.750 87 E HN 0.167 8.534 8.360 0.011 0.000 0.452 88 D N -0.961 119.443 120.400 0.007 0.000 2.309 88 D HA -0.134 nan 4.640 nan 0.000 0.212 88 D C 0.803 177.107 176.300 0.006 0.000 0.968 88 D CA 2.381 56.385 54.000 0.006 0.000 0.882 88 D CB -0.216 40.588 40.800 0.007 0.000 0.918 88 D HN 0.468 8.725 8.370 0.008 0.117 0.503 89 R N -2.664 117.840 120.500 0.007 0.000 2.507 89 R HA 0.144 nan 4.340 nan 0.000 0.298 89 R C 0.227 176.531 176.300 0.006 0.000 0.999 89 R CA -0.600 55.504 56.100 0.007 0.000 1.082 89 R CB 0.213 30.518 30.300 0.009 0.000 1.246 89 R HN -0.704 7.379 8.270 0.008 0.192 0.553 90 G N -0.550 108.253 108.800 0.005 0.000 2.176 90 G HA2 -0.384 nan 3.960 nan 0.000 0.253 90 G HA3 -0.384 nan 3.960 nan 0.000 0.253 90 G C -0.463 174.439 174.900 0.003 0.000 0.979 90 G CA 0.543 45.645 45.100 0.003 0.000 0.641 90 G HN 0.001 8.131 8.290 0.005 0.162 0.530 91 I N 1.983 122.557 120.570 0.005 0.000 2.310 91 I HA 0.284 nan 4.170 nan 0.000 0.287 91 I C -1.691 174.430 176.117 0.006 0.000 1.073 91 I CA -3.516 57.787 61.300 0.006 0.000 1.216 91 I CB 1.102 39.107 38.000 0.008 0.000 1.415 91 I HN -0.059 8.016 8.210 0.007 0.139 0.480 92 P HA 0.042 nan 4.420 nan 0.000 0.252 92 P C 0.325 177.629 177.300 0.006 0.000 1.694 92 P CA -0.161 62.941 63.100 0.004 0.000 1.163 92 P CB -1.414 30.287 31.700 0.001 0.000 1.934 93 V N 4.821 124.740 119.914 0.010 0.000 2.220 93 V HA -0.570 nan 4.120 nan 0.000 0.250 93 V C 1.732 177.835 176.094 0.015 0.000 1.056 93 V CA 4.340 66.649 62.300 0.014 0.000 1.016 93 V CB -0.608 31.224 31.823 0.015 0.000 0.639 93 V HN 0.190 8.350 8.190 0.009 0.035 0.446 94 R N -2.862 117.645 120.500 0.012 0.000 2.211 94 R HA -0.343 nan 4.340 nan 0.000 0.240 94 R C 1.862 178.170 176.300 0.013 0.000 1.144 94 R CA 2.926 59.034 56.100 0.013 0.000 0.992 94 R CB -0.455 29.851 30.300 0.010 0.000 0.869 94 R HN -0.082 8.194 8.270 0.010 0.000 0.462 95 E N -2.257 117.948 120.200 0.009 0.000 2.285 95 E HA -0.148 nan 4.350 nan 0.000 0.194 95 E C 0.486 177.090 176.600 0.008 0.000 0.997 95 E CA 1.575 57.979 56.400 0.007 0.000 0.845 95 E CB 0.523 30.224 29.700 0.001 0.000 0.782 95 E HN -0.436 7.789 8.360 0.008 0.141 0.491 96 R N -6.092 114.414 120.500 0.011 0.000 2.404 96 R HA 0.238 nan 4.340 nan 0.000 0.237 96 R C -0.502 175.814 176.300 0.027 0.000 0.907 96 R CA -0.582 55.525 56.100 0.011 0.000 1.063 96 R CB 1.429 31.730 30.300 0.003 0.000 1.134 96 R HN -0.314 7.820 8.270 0.012 0.143 0.529 97 L N 0.824 122.067 121.223 0.033 0.000 2.289 97 L HA 0.419 nan 4.340 nan 0.000 0.285 97 L C -1.768 175.134 176.870 0.053 0.000 1.049 97 L CA -0.417 54.450 54.840 0.045 0.000 0.804 97 L CB 1.622 43.704 42.059 0.038 0.000 1.195 97 L HN -0.291 7.955 8.230 0.026 0.000 0.428 98 L N 5.668 126.932 121.223 0.068 0.000 2.354 98 L HA 0.651 nan 4.340 nan 0.000 0.269 98 L C -1.788 175.125 176.870 0.071 0.000 1.005 98 L CA -1.424 53.459 54.840 0.072 0.000 0.819 98 L CB 2.883 44.996 42.059 0.089 0.000 1.311 98 L HN 0.875 9.032 8.230 0.077 0.120 0.423 99 L N -3.584 117.680 121.223 0.069 0.000 2.250 99 L HA 0.834 nan 4.340 nan 0.000 0.252 99 L C -2.031 174.885 176.870 0.076 0.000 1.054 99 L CA -2.091 52.790 54.840 0.067 0.000 0.856 99 L CB 2.639 44.729 42.059 0.053 0.000 1.443 99 L HN 0.681 8.851 8.230 0.069 0.101 0.427 100 S N -1.542 114.202 115.700 0.072 0.000 2.519 100 S HA 0.345 nan 4.470 nan 0.000 0.309 100 S C 0.879 175.516 174.600 0.063 0.000 1.100 100 S CA -3.103 55.144 58.200 0.078 0.000 1.059 100 S CB 1.367 64.614 63.200 0.078 0.000 1.008 100 S HN 0.134 8.482 8.310 0.064 0.000 0.478 101 E N 8.482 128.731 120.200 0.081 0.000 2.273 101 E HA -0.324 nan 4.350 nan 0.000 0.198 101 E C 0.941 177.528 176.600 -0.023 0.000 1.002 101 E CA 2.846 59.257 56.400 0.018 0.000 0.828 101 E CB -0.644 29.111 29.700 0.092 0.000 0.747 101 E HN 0.915 9.346 8.360 0.119 0.000 0.491 102 A N -1.139 121.695 122.820 0.024 0.000 2.167 102 A HA -0.043 nan 4.320 nan 0.000 0.214 102 A C -0.016 177.582 177.584 0.023 0.000 1.151 102 A CA 0.314 52.365 52.037 0.024 0.000 0.735 102 A CB -0.104 18.924 19.000 0.048 0.000 0.802 102 A HN -0.571 7.561 8.150 0.050 0.047 0.467 103 C N 0.946 120.258 119.300 0.021 0.000 2.642 103 C HA -0.046 nan 4.460 nan 0.000 0.420 103 C C -2.004 172.981 174.990 -0.008 0.000 1.349 103 C CA -0.412 58.612 59.018 0.011 0.000 1.821 103 C CB -1.444 26.302 27.740 0.010 0.000 2.637 103 C HN -0.032 8.053 8.230 0.024 0.159 0.605 104 P HA 0.433 nan 4.420 nan 0.000 0.282 104 P C -1.809 175.474 177.300 -0.030 0.000 1.249 104 P CA -0.431 62.650 63.100 -0.032 0.000 0.806 104 P CB 0.403 32.045 31.700 -0.096 0.000 0.984 105 L N 1.234 122.479 121.223 0.036 0.000 2.276 105 L HA 0.385 nan 4.340 nan 0.000 0.286 105 L C -0.147 176.777 176.870 0.089 0.000 1.061 105 L CA -0.880 53.992 54.840 0.053 0.000 0.807 105 L CB 0.457 42.589 42.059 0.121 0.000 1.177 105 L HN 0.610 8.775 8.230 0.073 0.109 0.429 106 I N 3.865 124.451 120.570 0.026 0.000 2.352 106 I HA 0.012 nan 4.170 nan 0.000 0.290 106 I C -1.168 174.980 176.117 0.052 0.000 1.036 106 I CA 0.100 61.463 61.300 0.105 0.000 1.336 106 I CB -0.269 37.735 38.000 0.005 0.000 1.407 106 I HN 0.869 8.934 8.210 -0.030 0.127 0.497 107 L N 4.396 125.592 121.223 -0.045 0.000 2.256 107 L HA 0.267 nan 4.340 nan 0.000 0.261 107 L C 0.575 177.156 176.870 -0.483 0.000 1.022 107 L CA -1.887 52.737 54.840 -0.361 0.000 0.828 107 L CB 1.959 43.711 42.059 -0.513 0.000 1.374 107 L HN 0.311 8.735 8.230 0.324 0.000 0.436 108 D N 1.151 121.351 120.400 -0.334 0.000 2.127 108 D HA -0.421 nan 4.640 nan 0.000 0.190 108 D C 1.866 178.025 176.300 -0.236 0.000 1.000 108 D CA 4.137 58.017 54.000 -0.200 0.000 0.839 108 D CB 0.059 40.819 40.800 -0.066 0.000 0.955 108 D HN 0.683 8.914 8.370 -0.232 0.000 0.446 109 Y N -4.319 115.918 120.300 -0.105 0.000 2.283 109 Y HA -0.360 nan 4.550 nan 0.000 0.285 109 Y C 2.013 177.845 175.900 -0.113 0.000 1.176 109 Y CA 1.812 59.840 58.100 -0.120 0.000 1.229 109 Y CB -1.489 36.886 38.460 -0.142 0.000 0.975 109 Y HN 0.060 8.124 8.280 -0.361 0.000 0.537 110 H N 0.151 118.993 119.070 -0.380 0.000 2.389 110 H HA -0.318 nan 4.556 nan 0.000 0.299 110 H C 2.500 177.756 175.328 -0.120 0.000 1.081 110 H CA 3.250 59.163 56.048 -0.224 0.000 1.345 110 H CB -0.028 29.569 29.762 -0.274 0.000 1.393 110 H HN -0.358 7.262 8.280 -0.868 0.139 0.520 111 V N -0.385 119.536 119.914 0.012 0.000 2.453 111 V HA -0.376 nan 4.120 nan 0.000 0.247 111 V C 1.494 177.580 176.094 -0.013 0.000 1.048 111 V CA 3.698 65.995 62.300 -0.005 0.000 1.049 111 V CB -1.095 30.721 31.823 -0.011 0.000 0.672 111 V HN 0.254 8.311 8.190 -0.040 0.109 0.457 112 A N -0.330 122.489 122.820 -0.002 0.000 1.908 112 A HA -0.332 nan 4.320 nan 0.000 0.218 112 A C 2.057 179.625 177.584 -0.026 0.000 1.181 112 A CA 3.481 55.520 52.037 0.004 0.000 0.627 112 A CB -0.790 18.240 19.000 0.050 0.000 0.818 112 A HN -0.142 7.941 8.150 -0.007 0.062 0.445 113 L N -2.425 118.796 121.223 -0.003 0.000 2.044 113 L HA -0.432 nan 4.340 nan 0.000 0.205 113 L C 1.753 178.562 176.870 -0.102 0.000 1.075 113 L CA 3.325 58.133 54.840 -0.053 0.000 0.747 113 L CB -0.549 41.542 42.059 0.053 0.000 0.903 113 L HN 0.446 8.588 8.230 0.039 0.111 0.435 114 D N -1.076 119.298 120.400 -0.043 0.000 2.158 114 D HA -0.367 nan 4.640 nan 0.000 0.197 114 D C 2.597 178.853 176.300 -0.073 0.000 0.995 114 D CA 3.427 57.398 54.000 -0.048 0.000 0.846 114 D CB -0.286 40.495 40.800 -0.032 0.000 0.941 114 D HN -0.125 8.240 8.370 -0.008 0.000 0.456 115 N N -0.720 117.934 118.700 -0.076 0.000 2.171 115 N HA -0.217 nan 4.740 nan 0.000 0.184 115 N C 2.178 177.618 175.510 -0.116 0.000 1.021 115 N CA 2.618 55.623 53.050 -0.074 0.000 0.854 115 N CB -0.435 38.020 38.487 -0.053 0.000 0.994 115 N HN 0.022 8.363 8.380 -0.063 0.001 0.426 116 A N 1.143 123.841 122.820 -0.203 0.000 1.851 116 A HA -0.315 nan 4.320 nan 0.000 0.216 116 A C 2.138 179.480 177.584 -0.404 0.000 1.195 116 A CA 3.183 54.993 52.037 -0.379 0.000 0.622 116 A CB -0.622 17.949 19.000 -0.715 0.000 0.831 116 A HN -0.181 7.797 8.150 -0.184 0.062 0.444 117 R N -2.485 117.769 120.500 -0.411 0.000 2.091 117 R HA -0.406 nan 4.340 nan 0.000 0.238 117 R C 2.397 178.680 176.300 -0.029 0.000 1.136 117 R CA 3.583 59.601 56.100 -0.138 0.000 0.959 117 R CB -0.171 30.102 30.300 -0.044 0.000 0.856 117 R HN 0.523 8.438 8.270 -0.406 0.111 0.437 118 E N -1.889 118.280 120.200 -0.052 0.000 2.204 118 E HA -0.212 nan 4.350 nan 0.000 0.194 118 E C 0.819 177.418 176.600 -0.002 0.000 0.989 118 E CA 2.298 58.687 56.400 -0.018 0.000 0.824 118 E CB -0.360 29.325 29.700 -0.026 0.000 0.756 118 E HN -0.425 7.881 8.360 -0.084 0.004 0.477 119 K N -1.998 118.394 120.400 -0.014 0.000 1.991 119 K HA -0.186 nan 4.320 nan 0.000 0.207 119 K C 1.941 178.569 176.600 0.047 0.000 1.045 119 K CA 2.282 58.575 56.287 0.010 0.000 0.937 119 K CB 0.336 32.835 32.500 -0.001 0.000 0.720 119 K HN -0.446 7.637 8.250 -0.052 0.136 0.438 120 A N -0.399 122.476 122.820 0.092 0.000 1.940 120 A HA -0.291 nan 4.320 nan 0.000 0.221 120 A C 1.881 179.526 177.584 0.102 0.000 1.190 120 A CA 2.781 54.907 52.037 0.148 0.000 0.647 120 A CB -0.795 18.391 19.000 0.310 0.000 0.821 120 A HN -0.001 8.194 8.150 0.075 0.000 0.457 121 R N -2.826 117.724 120.500 0.084 0.000 2.303 121 R HA -0.314 nan 4.340 nan 0.000 0.225 121 R C 1.261 177.594 176.300 0.056 0.000 1.114 121 R CA 1.112 57.251 56.100 0.065 0.000 1.007 121 R CB 0.111 30.441 30.300 0.049 0.000 0.861 121 R HN -0.519 7.798 8.270 0.081 0.002 0.471 122 G N -0.743 108.086 108.800 0.048 0.000 2.704 122 G HA2 -0.472 nan 3.960 nan 0.000 0.344 122 G HA3 -0.472 nan 3.960 nan 0.000 0.344 122 G C 0.646 175.568 174.900 0.037 0.000 1.200 122 G CA 1.875 46.998 45.100 0.038 0.000 0.962 122 G HN 0.446 8.576 8.290 0.050 0.190 0.552 123 A N 3.946 126.788 122.820 0.037 0.000 2.123 123 A HA 0.084 nan 4.320 nan 0.000 0.214 123 A C 0.588 178.204 177.584 0.054 0.000 1.152 123 A CA 1.269 53.327 52.037 0.035 0.000 0.728 123 A CB -0.279 18.737 19.000 0.026 0.000 0.814 123 A HN 0.189 8.361 8.150 0.037 0.000 0.464 124 K N -2.593 117.852 120.400 0.074 0.000 2.596 124 K HA 0.133 nan 4.320 nan 0.000 0.211 124 K C -0.748 175.941 176.600 0.149 0.000 1.046 124 K CA -1.480 54.882 56.287 0.125 0.000 1.202 124 K CB -0.820 31.747 32.500 0.112 0.000 0.925 124 K HN -0.070 8.184 8.250 0.064 0.034 0.486 125 A N -0.012 122.873 122.820 0.110 0.000 2.498 125 A HA -0.061 nan 4.320 nan 0.000 0.239 125 A C 0.256 177.946 177.584 0.177 0.000 1.068 125 A CA 0.392 52.487 52.037 0.096 0.000 0.766 125 A CB 0.082 19.116 19.000 0.056 0.000 1.003 125 A HN -0.486 7.608 8.150 0.082 0.105 0.497 126 I N 0.329 120.969 120.570 0.116 0.000 2.315 126 I HA -0.304 nan 4.170 nan 0.000 0.248 126 I C 0.724 176.927 176.117 0.144 0.000 1.117 126 I CA 1.809 63.200 61.300 0.152 0.000 1.404 126 I CB 0.405 38.388 38.000 -0.029 0.000 1.071 126 I HN -0.256 8.153 8.210 0.045 -0.173 0.419 127 G N -1.740 107.097 108.800 0.062 0.000 2.356 127 G HA2 -0.329 nan 3.960 nan 0.000 0.233 127 G HA3 -0.329 nan 3.960 nan 0.000 0.233 127 G C -0.190 174.715 174.900 0.010 0.000 1.105 127 G CA -0.449 44.667 45.100 0.028 0.000 0.861 127 G HN -0.041 8.615 8.290 0.044 -0.340 0.493 128 T N -1.694 112.859 114.554 -0.001 0.000 2.898 128 T HA 0.224 nan 4.350 nan 0.000 0.301 128 T C 1.330 176.010 174.700 -0.033 0.000 1.049 128 T CA -0.492 61.598 62.100 -0.017 0.000 1.095 128 T CB 1.081 69.935 68.868 -0.024 0.000 0.976 128 T HN 0.282 9.038 8.240 0.001 -0.515 0.539 129 T N -4.908 109.617 114.554 -0.048 0.000 2.869 129 T HA -0.155 nan 4.350 nan 0.000 0.270 129 T C 1.175 175.817 174.700 -0.096 0.000 1.082 129 T CA 1.146 63.201 62.100 -0.075 0.000 1.123 129 T CB -0.514 68.291 68.868 -0.106 0.000 0.856 129 T HN 0.395 8.611 8.240 -0.040 0.000 0.499 130 G N 1.612 110.359 108.800 -0.088 0.000 2.141 130 G HA2 -0.294 nan 3.960 nan 0.000 0.242 130 G HA3 -0.294 nan 3.960 nan 0.000 0.242 130 G C -0.096 174.733 174.900 -0.118 0.000 0.982 130 G CA -0.046 45.004 45.100 -0.085 0.000 0.662 130 G HN 0.176 8.377 8.290 -0.074 0.045 0.527 131 R N -0.298 120.091 120.500 -0.184 0.000 2.317 131 R HA 0.074 nan 4.340 nan 0.000 0.208 131 R C 0.538 176.775 176.300 -0.105 0.000 0.914 131 R CA -1.392 54.540 56.100 -0.280 0.000 1.060 131 R CB -0.063 29.786 30.300 -0.751 0.000 1.015 131 R HN -0.622 7.488 8.270 -0.184 0.049 0.498 132 G N -1.387 107.376 108.800 -0.062 0.000 2.136 132 G HA2 -0.283 nan 3.960 nan 0.000 0.242 132 G HA3 -0.283 nan 3.960 nan 0.000 0.242 132 G C 0.086 174.941 174.900 -0.075 0.000 0.989 132 G CA 0.551 45.633 45.100 -0.030 0.000 0.682 132 G HN -0.069 8.455 8.290 -0.068 -0.275 0.522 133 I N 0.798 121.343 120.570 -0.042 0.000 2.202 133 I HA -0.348 nan 4.170 nan 0.000 0.242 133 I C 1.596 177.749 176.117 0.059 0.000 1.091 133 I CA 2.438 63.739 61.300 0.000 0.000 1.368 133 I CB -1.233 36.819 38.000 0.088 0.000 1.058 133 I HN -0.104 8.079 8.210 -0.045 0.000 0.410 134 G N -0.297 108.541 108.800 0.063 0.000 2.545 134 G HA2 -0.247 nan 3.960 nan 0.000 0.217 134 G HA3 -0.247 nan 3.960 nan 0.000 0.217 134 G C -1.517 173.414 174.900 0.051 0.000 1.218 134 G CA 3.115 48.267 45.100 0.087 0.000 0.787 134 G HN 0.556 8.866 8.290 0.033 0.000 0.571 135 P HA -0.227 nan 4.420 nan 0.000 0.216 135 P C 1.041 178.197 177.300 -0.240 0.000 1.150 135 P CA 2.468 65.553 63.100 -0.026 0.000 0.837 135 P CB -0.439 31.288 31.700 0.045 0.000 0.786 136 A N -2.103 120.366 122.820 -0.586 0.000 1.883 136 A HA -0.272 nan 4.320 nan 0.000 0.217 136 A C 2.239 179.626 177.584 -0.328 0.000 1.186 136 A CA 3.091 54.664 52.037 -0.773 0.000 0.624 136 A CB -0.761 17.824 19.000 -0.691 0.000 0.822 136 A HN -0.249 7.604 8.150 -0.495 0.000 0.444 137 Y N -2.164 118.064 120.300 -0.120 0.000 2.274 137 Y HA -0.430 nan 4.550 nan 0.000 0.290 137 Y C 2.426 178.324 175.900 -0.003 0.000 1.145 137 Y CA 3.302 61.380 58.100 -0.036 0.000 1.203 137 Y CB -0.480 37.970 38.460 -0.016 0.000 0.984 137 Y HN 0.111 8.315 8.280 -0.126 0.000 0.533 138 E N -0.211 120.075 120.200 0.144 0.000 2.017 138 E HA -0.452 nan 4.350 nan 0.000 0.193 138 E C 2.450 179.129 176.600 0.131 0.000 0.997 138 E CA 3.504 59.986 56.400 0.137 0.000 0.804 138 E CB -0.258 29.531 29.700 0.148 0.000 0.757 138 E HN 0.143 8.492 8.360 0.116 0.080 0.448 139 D N -1.195 119.293 120.400 0.146 0.000 2.182 139 D HA -0.224 nan 4.640 nan 0.000 0.201 139 D C 2.491 178.851 176.300 0.100 0.000 0.986 139 D CA 2.870 56.971 54.000 0.169 0.000 0.847 139 D CB -0.458 40.525 40.800 0.306 0.000 0.942 139 D HN 0.072 8.513 8.370 0.119 0.000 0.467 140 K N 0.982 121.429 120.400 0.078 0.000 2.009 140 K HA -0.277 nan 4.320 nan 0.000 0.210 140 K C 2.797 179.443 176.600 0.077 0.000 1.049 140 K CA 3.149 59.479 56.287 0.070 0.000 0.929 140 K CB 0.065 32.613 32.500 0.080 0.000 0.714 140 K HN -0.406 7.872 8.250 0.056 0.006 0.440 141 V N 0.485 120.455 119.914 0.094 0.000 2.453 141 V HA -0.221 nan 4.120 nan 0.000 0.247 141 V C 1.583 177.702 176.094 0.043 0.000 1.048 141 V CA 2.520 64.862 62.300 0.070 0.000 1.049 141 V CB -0.556 31.312 31.823 0.076 0.000 0.672 141 V HN -0.440 7.821 8.190 0.119 0.000 0.457 142 A N -3.221 119.625 122.820 0.042 0.000 2.172 142 A HA -0.117 nan 4.320 nan 0.000 0.216 142 A C -0.363 177.212 177.584 -0.016 0.000 1.154 142 A CA 0.693 52.734 52.037 0.008 0.000 0.701 142 A CB 0.265 19.265 19.000 0.001 0.000 0.789 142 A HN -0.237 7.951 8.150 0.064 0.000 0.465 143 R N -5.386 115.116 120.500 0.003 0.000 3.776 143 R HA -0.323 nan 4.340 nan 0.000 0.312 143 R C 0.594 176.875 176.300 -0.031 0.000 1.181 143 R CA 1.478 57.573 56.100 -0.008 0.000 0.836 143 R CB -2.318 27.974 30.300 -0.014 0.000 1.324 143 R HN -0.553 7.566 8.270 0.025 0.165 0.501 144 R N -3.808 116.673 120.500 -0.031 0.000 2.394 144 R HA 0.241 nan 4.340 nan 0.000 0.220 144 R C 0.787 177.091 176.300 0.006 0.000 0.887 144 R CA -0.163 55.899 56.100 -0.064 0.000 1.034 144 R CB 0.922 31.123 30.300 -0.165 0.000 1.179 144 R HN -0.268 7.970 8.270 -0.004 0.029 0.561 145 G N 0.705 109.543 108.800 0.065 0.000 2.606 145 G HA2 -0.067 nan 3.960 nan 0.000 0.252 145 G HA3 -0.067 nan 3.960 nan 0.000 0.252 145 G C -1.230 173.716 174.900 0.077 0.000 1.206 145 G CA -0.310 44.864 45.100 0.124 0.000 0.861 145 G HN -0.602 7.724 8.290 0.059 0.000 0.561 146 L N -0.021 121.266 121.223 0.106 0.000 2.334 146 L HA 0.324 nan 4.340 nan 0.000 0.275 146 L C -0.787 176.142 176.870 0.099 0.000 1.036 146 L CA -0.321 54.570 54.840 0.085 0.000 0.807 146 L CB 1.483 43.593 42.059 0.085 0.000 1.231 146 L HN 0.240 8.572 8.230 0.171 0.000 0.438 147 R N 0.883 121.426 120.500 0.071 0.000 2.939 147 R HA 0.609 nan 4.340 nan 0.000 0.254 147 R C 1.712 178.007 176.300 -0.008 0.000 1.123 147 R CA -0.956 55.158 56.100 0.024 0.000 1.020 147 R CB 2.447 32.742 30.300 -0.009 0.000 1.206 147 R HN 0.029 8.666 8.270 0.067 -0.327 0.491 148 V N 0.986 120.865 119.914 -0.058 0.000 2.287 148 V HA -0.383 nan 4.120 nan 0.000 0.248 148 V C 1.728 177.609 176.094 -0.355 0.000 1.053 148 V CA 4.827 67.053 62.300 -0.123 0.000 1.027 148 V CB -0.481 31.300 31.823 -0.070 0.000 0.646 148 V HN 0.701 8.870 8.190 -0.036 0.000 0.447 149 G N -2.424 106.096 108.800 -0.468 0.000 2.475 149 G HA2 -0.409 nan 3.960 nan 0.000 0.220 149 G HA3 -0.409 nan 3.960 nan 0.000 0.220 149 G C 0.939 175.263 174.900 -0.960 0.000 1.125 149 G CA 2.339 46.779 45.100 -1.101 0.000 0.755 149 G HN 0.860 8.868 8.290 -0.257 0.127 0.565 150 D N 2.970 123.170 120.400 -0.334 0.000 2.182 150 D HA -0.214 nan 4.640 nan 0.000 0.201 150 D C 2.250 178.553 176.300 0.004 0.000 0.986 150 D CA 2.897 56.866 54.000 -0.052 0.000 0.847 150 D CB -0.359 40.555 40.800 0.190 0.000 0.942 150 D HN -0.527 7.575 8.370 -0.214 0.140 0.467 151 L N -1.848 119.276 121.223 -0.164 0.000 2.549 151 L HA -0.286 nan 4.340 nan 0.000 0.230 151 L C 2.044 178.960 176.870 0.077 0.000 1.162 151 L CA 1.574 56.319 54.840 -0.158 0.000 0.834 151 L CB -0.528 41.388 42.059 -0.238 0.000 0.947 151 L HN -0.071 7.851 8.230 -0.279 0.140 0.452 152 F N -2.222 117.744 119.950 0.027 0.000 2.186 152 F HA -0.235 nan 4.527 nan 0.000 0.299 152 F C 1.026 176.846 175.800 0.034 0.000 1.090 152 F CA -0.072 57.942 58.000 0.024 0.000 1.307 152 F CB -0.287 38.733 39.000 0.033 0.000 1.019 152 F HN -0.472 7.496 8.300 -0.262 0.175 0.489 153 D N -0.826 119.715 120.400 0.236 0.000 2.462 153 D HA 0.179 nan 4.640 nan 0.000 0.249 153 D C -0.112 176.288 176.300 0.167 0.000 1.117 153 D CA -1.307 52.795 54.000 0.169 0.000 0.900 153 D CB 0.128 41.018 40.800 0.149 0.000 1.039 153 D HN -0.684 7.806 8.370 0.213 0.007 0.516 154 K N 4.873 125.350 120.400 0.129 0.000 2.063 154 K HA -0.464 nan 4.320 nan 0.000 0.208 154 K C 1.588 178.296 176.600 0.181 0.000 1.048 154 K CA 4.256 60.622 56.287 0.133 0.000 0.928 154 K CB -0.143 32.395 32.500 0.062 0.000 0.713 154 K HN 0.421 8.735 8.250 0.106 0.000 0.442 155 E N -1.119 119.162 120.200 0.134 0.000 2.021 155 E HA -0.381 nan 4.350 nan 0.000 0.200 155 E C 2.736 179.421 176.600 0.141 0.000 1.015 155 E CA 3.108 59.582 56.400 0.123 0.000 0.824 155 E CB -0.617 29.136 29.700 0.088 0.000 0.762 155 E HN -0.043 8.384 8.360 0.111 0.000 0.454 156 T N 2.873 117.505 114.554 0.130 0.000 2.699 156 T HA -0.314 nan 4.350 nan 0.000 0.268 156 T C 1.557 176.334 174.700 0.129 0.000 1.036 156 T CA 4.562 66.728 62.100 0.109 0.000 1.147 156 T CB -0.516 68.411 68.868 0.097 0.000 0.862 156 T HN -0.103 8.592 8.240 0.122 -0.382 0.446 157 F N 2.078 122.059 119.950 0.052 0.000 2.087 157 F HA -0.565 nan 4.527 nan 0.000 0.299 157 F C 0.445 176.299 175.800 0.092 0.000 1.100 157 F CA 3.604 61.637 58.000 0.055 0.000 1.226 157 F CB -0.063 38.964 39.000 0.044 0.000 0.983 157 F HN 0.278 8.763 8.300 0.308 0.000 0.479 158 A N -3.406 119.579 122.820 0.275 0.000 1.972 158 A HA -0.342 nan 4.320 nan 0.000 0.219 158 A C 2.406 180.071 177.584 0.137 0.000 1.169 158 A CA 3.278 55.470 52.037 0.259 0.000 0.635 158 A CB -1.165 18.016 19.000 0.302 0.000 0.810 158 A HN 0.121 8.491 8.150 0.367 0.000 0.446 159 E N -0.780 119.451 120.200 0.051 0.000 2.015 159 E HA -0.353 nan 4.350 nan 0.000 0.191 159 E C 2.412 178.963 176.600 -0.082 0.000 0.991 159 E CA 3.064 59.454 56.400 -0.017 0.000 0.802 159 E CB -0.207 29.490 29.700 -0.005 0.000 0.759 159 E HN -0.419 7.850 8.360 0.076 0.137 0.447 160 K N -0.956 119.380 120.400 -0.106 0.000 2.001 160 K HA -0.343 nan 4.320 nan 0.000 0.214 160 K C 2.491 178.981 176.600 -0.183 0.000 1.050 160 K CA 2.368 58.565 56.287 -0.150 0.000 0.934 160 K CB -0.559 31.834 32.500 -0.178 0.000 0.718 160 K HN -0.173 8.029 8.250 -0.079 0.000 0.443 161 L N -0.099 120.964 121.223 -0.267 0.000 2.021 161 L HA -0.406 nan 4.340 nan 0.000 0.215 161 L C 1.447 178.302 176.870 -0.025 0.000 1.074 161 L CA 3.374 58.122 54.840 -0.153 0.000 0.760 161 L CB -0.406 41.557 42.059 -0.159 0.000 0.889 161 L HN 0.397 8.387 8.230 -0.400 0.000 0.433 162 K N -1.552 118.777 120.400 -0.118 0.000 2.063 162 K HA -0.451 nan 4.320 nan 0.000 0.208 162 K C 2.194 178.611 176.600 -0.305 0.000 1.048 162 K CA 3.478 59.433 56.287 -0.552 0.000 0.928 162 K CB -0.172 31.890 32.500 -0.730 0.000 0.713 162 K HN -0.292 7.927 8.250 -0.052 0.000 0.442 163 E N -2.748 117.332 120.200 -0.199 0.000 2.230 163 E HA -0.135 nan 4.350 nan 0.000 0.192 163 E C 2.088 178.612 176.600 -0.127 0.000 0.987 163 E CA 2.270 58.583 56.400 -0.145 0.000 0.841 163 E CB -0.072 29.555 29.700 -0.121 0.000 0.783 163 E HN -0.504 7.746 8.360 -0.183 0.000 0.481 164 V N 2.466 122.294 119.914 -0.143 0.000 2.358 164 V HA -0.357 nan 4.120 nan 0.000 0.246 164 V C 1.354 177.341 176.094 -0.177 0.000 1.047 164 V CA 4.118 66.330 62.300 -0.148 0.000 1.035 164 V CB -0.411 31.360 31.823 -0.087 0.000 0.658 164 V HN 0.385 8.415 8.190 -0.145 0.074 0.452 165 M N -2.125 117.336 119.600 -0.232 0.000 2.229 165 M HA -0.477 nan 4.480 nan 0.000 0.264 165 M C 2.164 178.407 176.300 -0.095 0.000 1.063 165 M CA 4.435 59.589 55.300 -0.244 0.000 1.114 165 M CB -0.493 32.058 32.600 -0.081 0.000 1.387 165 M HN 0.529 8.602 8.290 -0.184 0.107 0.420 166 E N 0.278 120.425 120.200 -0.089 0.000 2.023 166 E HA -0.412 nan 4.350 nan 0.000 0.196 166 E C 2.046 178.649 176.600 0.005 0.000 1.003 166 E CA 3.141 59.517 56.400 -0.041 0.000 0.809 166 E CB -0.187 29.477 29.700 -0.059 0.000 0.755 166 E HN -0.291 7.794 8.360 -0.127 0.199 0.449 167 Y N 0.072 120.271 120.300 -0.169 0.000 2.081 167 Y HA -0.525 nan 4.550 nan 0.000 0.280 167 Y C 2.407 178.210 175.900 -0.163 0.000 1.163 167 Y CA 3.726 61.695 58.100 -0.218 0.000 1.135 167 Y CB 0.131 38.367 38.460 -0.373 0.000 0.970 167 Y HN -0.106 8.193 8.280 0.031 0.000 0.498 168 H N -3.193 115.883 119.070 0.011 0.000 2.423 168 H HA -0.315 nan 4.556 nan 0.000 0.297 168 H C 2.704 178.034 175.328 0.003 0.000 1.075 168 H CA 3.765 59.800 56.048 -0.023 0.000 1.342 168 H CB -0.120 29.622 29.762 -0.033 0.000 1.395 168 H HN 0.103 8.320 8.280 -0.104 0.000 0.530 169 N N 0.142 118.904 118.700 0.104 0.000 2.216 169 N HA -0.264 nan 4.740 nan 0.000 0.183 169 N C 1.562 177.123 175.510 0.085 0.000 1.017 169 N CA 2.922 56.029 53.050 0.094 0.000 0.861 169 N CB -0.327 38.199 38.487 0.065 0.000 0.986 169 N HN -0.290 8.127 8.380 0.062 0.000 0.428 170 F N 1.009 120.921 119.950 -0.063 0.000 2.120 170 F HA -0.463 nan 4.527 nan 0.000 0.300 170 F C 1.447 177.220 175.800 -0.046 0.000 1.095 170 F CA 3.932 61.887 58.000 -0.075 0.000 1.249 170 F CB 0.248 39.166 39.000 -0.138 0.000 0.995 170 F HN -0.448 7.950 8.300 0.164 0.000 0.480 171 Q N -0.590 119.326 119.800 0.193 0.000 1.994 171 Q HA -0.319 nan 4.340 nan 0.000 0.198 171 Q C 2.407 178.555 176.000 0.248 0.000 0.976 171 Q CA 3.185 59.104 55.803 0.192 0.000 0.828 171 Q CB 0.030 28.857 28.738 0.149 0.000 0.894 171 Q HN -0.708 7.634 8.270 0.123 0.002 0.432 172 L N -1.173 120.210 121.223 0.267 0.000 2.034 172 L HA -0.487 nan 4.340 nan 0.000 0.217 172 L C 2.172 179.145 176.870 0.172 0.000 1.077 172 L CA 3.185 58.189 54.840 0.274 0.000 0.769 172 L CB -0.223 41.941 42.059 0.176 0.000 0.890 172 L HN -0.354 8.014 8.230 0.229 0.000 0.435 173 V N -4.833 115.114 119.914 0.055 0.000 2.426 173 V HA -0.223 nan 4.120 nan 0.000 0.242 173 V C 0.675 176.723 176.094 -0.076 0.000 1.036 173 V CA 3.631 65.921 62.300 -0.016 0.000 1.044 173 V CB -0.396 31.395 31.823 -0.054 0.000 0.688 173 V HN 0.056 8.268 8.190 0.036 0.000 0.462 174 N N -1.365 117.227 118.700 -0.180 0.000 2.188 174 N HA -0.193 nan 4.740 nan 0.000 0.184 174 N C 1.816 177.274 175.510 -0.088 0.000 1.018 174 N CA 2.951 55.862 53.050 -0.231 0.000 0.858 174 N CB 0.567 38.714 38.487 -0.567 0.000 0.989 174 N HN -0.539 7.704 8.380 -0.228 0.000 0.426 175 Y N 0.543 120.751 120.300 -0.153 0.000 2.314 175 Y HA -0.128 nan 4.550 nan 0.000 0.294 175 Y C 1.456 177.190 175.900 -0.276 0.000 1.139 175 Y CA 3.316 61.279 58.100 -0.229 0.000 1.162 175 Y CB 1.250 39.517 38.460 -0.322 0.000 1.121 175 Y HN 0.165 8.376 8.280 0.082 0.117 0.529 176 Y N -4.907 115.406 120.300 0.022 0.000 2.490 176 Y HA -0.026 nan 4.550 nan 0.000 0.285 176 Y C -1.052 174.806 175.900 -0.070 0.000 1.117 176 Y CA 2.146 60.216 58.100 -0.051 0.000 1.262 176 Y CB 0.858 39.362 38.460 0.074 0.000 1.043 176 Y HN -0.564 7.827 8.280 0.184 0.000 0.553 177 K N -6.656 113.785 120.400 0.067 0.000 3.338 177 K HA -0.376 nan 4.320 nan 0.000 0.292 177 K C -0.783 175.843 176.600 0.042 0.000 1.268 177 K CA 0.335 56.631 56.287 0.015 0.000 0.853 177 K CB -3.224 29.261 32.500 -0.025 0.000 1.342 177 K HN -0.464 7.761 8.250 0.078 0.072 0.501 178 A N 0.083 122.955 122.820 0.086 0.000 2.242 178 A HA 0.086 nan 4.320 nan 0.000 0.304 178 A C -1.347 176.266 177.584 0.047 0.000 1.100 178 A CA -0.627 51.447 52.037 0.062 0.000 0.860 178 A CB 1.137 20.179 19.000 0.069 0.000 1.168 178 A HN 0.154 8.258 8.150 0.136 0.128 0.503 179 E N -0.166 120.056 120.200 0.036 0.000 2.390 179 E HA -0.087 nan 4.350 nan 0.000 0.261 179 E C -1.296 175.333 176.600 0.048 0.000 1.076 179 E CA -0.436 55.983 56.400 0.033 0.000 0.905 179 E CB 0.760 30.476 29.700 0.026 0.000 0.984 179 E HN 0.119 8.498 8.360 0.032 0.000 0.427 180 A N 1.175 124.022 122.820 0.046 0.000 2.371 180 A HA 0.116 nan 4.320 nan 0.000 0.257 180 A C -0.634 176.995 177.584 0.076 0.000 1.089 180 A CA -0.331 51.743 52.037 0.063 0.000 0.794 180 A CB 1.060 20.091 19.000 0.051 0.000 1.029 180 A HN 0.175 8.345 8.150 0.034 0.000 0.488 181 V N 1.215 121.193 119.914 0.106 0.000 2.385 181 V HA -0.061 nan 4.120 nan 0.000 0.269 181 V C -0.268 175.904 176.094 0.129 0.000 1.043 181 V CA -0.066 62.307 62.300 0.121 0.000 0.906 181 V CB 0.371 32.302 31.823 0.180 0.000 0.995 181 V HN 0.247 8.832 8.190 0.117 -0.325 0.467 182 D N 7.135 127.597 120.400 0.103 0.000 2.450 182 D HA -0.116 nan 4.640 nan 0.000 0.247 182 D C 0.378 176.763 176.300 0.142 0.000 1.162 182 D CA 0.470 54.537 54.000 0.112 0.000 0.879 182 D CB 1.347 42.192 40.800 0.075 0.000 1.163 182 D HN 0.090 8.509 8.370 0.082 0.000 0.472 183 Y N 7.992 128.323 120.300 0.053 0.000 2.128 183 Y HA -0.460 nan 4.550 nan 0.000 0.284 183 Y C 1.190 177.129 175.900 0.065 0.000 1.154 183 Y CA 3.363 61.497 58.100 0.056 0.000 1.149 183 Y CB 0.381 38.859 38.460 0.031 0.000 0.976 183 Y HN 0.330 8.770 8.280 0.267 0.000 0.505 184 Q N -1.688 118.032 119.800 -0.133 0.000 2.084 184 Q HA -0.355 nan 4.340 nan 0.000 0.202 184 Q C 2.277 178.184 176.000 -0.154 0.000 0.978 184 Q CA 3.006 58.680 55.803 -0.214 0.000 0.844 184 Q CB -0.699 28.020 28.738 -0.032 0.000 0.898 184 Q HN -0.299 8.170 8.270 0.094 -0.142 0.426 185 K N 0.020 120.380 120.400 -0.066 0.000 1.991 185 K HA -0.311 nan 4.320 nan 0.000 0.212 185 K C 2.130 178.700 176.600 -0.049 0.000 1.049 185 K CA 3.024 59.289 56.287 -0.036 0.000 0.932 185 K CB -0.281 32.219 32.500 -0.000 0.000 0.717 185 K HN -0.719 7.693 8.250 -0.026 -0.178 0.441 186 V N 0.094 119.985 119.914 -0.038 0.000 2.287 186 V HA -0.362 nan 4.120 nan 0.000 0.248 186 V C 2.416 178.494 176.094 -0.027 0.000 1.053 186 V CA 4.345 66.644 62.300 -0.003 0.000 1.027 186 V CB -0.786 31.093 31.823 0.093 0.000 0.646 186 V HN -0.588 7.591 8.190 -0.019 0.000 0.447 187 L N -0.880 120.240 121.223 -0.172 0.000 2.046 187 L HA -0.400 nan 4.340 nan 0.000 0.208 187 L C 1.388 178.218 176.870 -0.068 0.000 1.077 187 L CA 3.517 58.274 54.840 -0.138 0.000 0.747 187 L CB -0.706 41.089 42.059 -0.440 0.000 0.896 187 L HN 0.254 8.286 8.230 -0.330 0.000 0.432 188 D N -0.389 119.957 120.400 -0.090 0.000 2.077 188 D HA -0.337 nan 4.640 nan 0.000 0.196 188 D C 2.318 178.594 176.300 -0.041 0.000 0.986 188 D CA 3.503 57.470 54.000 -0.054 0.000 0.829 188 D CB -0.950 39.822 40.800 -0.048 0.000 0.983 188 D HN 0.331 8.514 8.370 -0.127 0.110 0.453 189 D N -0.252 120.126 120.400 -0.036 0.000 2.160 189 D HA -0.349 nan 4.640 nan 0.000 0.189 189 D C 2.499 178.775 176.300 -0.039 0.000 1.003 189 D CA 3.076 57.057 54.000 -0.031 0.000 0.846 189 D CB -0.222 40.563 40.800 -0.024 0.000 0.949 189 D HN 0.235 8.582 8.370 -0.038 0.000 0.446 190 T N 1.553 116.086 114.554 -0.035 0.000 2.684 190 T HA -0.268 nan 4.350 nan 0.000 0.267 190 T C 2.585 177.209 174.700 -0.125 0.000 1.036 190 T CA 3.863 65.921 62.100 -0.070 0.000 1.148 190 T CB -0.156 68.696 68.868 -0.027 0.000 0.863 190 T HN -0.475 7.756 8.240 -0.014 0.000 0.436 191 M N 0.721 120.253 119.600 -0.113 0.000 2.202 191 M HA -0.307 nan 4.480 nan 0.000 0.262 191 M C 1.854 178.107 176.300 -0.078 0.000 1.063 191 M CA 1.935 57.166 55.300 -0.115 0.000 1.097 191 M CB -1.276 31.282 32.600 -0.070 0.000 1.382 191 M HN -0.244 8.001 8.290 -0.076 0.000 0.413 192 A N -2.549 120.236 122.820 -0.059 0.000 2.076 192 A HA -0.134 nan 4.320 nan 0.000 0.220 192 A C 1.157 178.715 177.584 -0.044 0.000 1.160 192 A CA 2.551 54.563 52.037 -0.043 0.000 0.653 192 A CB 0.023 19.003 19.000 -0.034 0.000 0.801 192 A HN -0.266 7.838 8.150 -0.056 0.013 0.455 193 V N -9.092 110.787 119.914 -0.058 0.000 3.330 193 V HA 0.388 nan 4.120 nan 0.000 0.309 193 V C 0.686 176.742 176.094 -0.064 0.000 1.481 193 V CA -0.873 61.397 62.300 -0.051 0.000 1.068 193 V CB -0.421 31.375 31.823 -0.044 0.000 0.935 193 V HN -0.379 7.628 8.190 -0.072 0.140 0.453 194 A N 2.815 125.578 122.820 -0.095 0.000 1.903 194 A HA -0.409 nan 4.320 nan 0.000 0.219 194 A C 1.075 178.628 177.584 -0.051 0.000 1.191 194 A CA 3.917 55.885 52.037 -0.116 0.000 0.638 194 A CB -0.854 18.044 19.000 -0.170 0.000 0.823 194 A HN -0.130 7.835 8.150 -0.103 0.123 0.451 195 D N -2.677 117.703 120.400 -0.034 0.000 2.182 195 D HA -0.250 nan 4.640 nan 0.000 0.201 195 D C 2.222 178.521 176.300 -0.002 0.000 0.986 195 D CA 3.170 57.165 54.000 -0.009 0.000 0.847 195 D CB -0.406 40.388 40.800 -0.010 0.000 0.942 195 D HN 0.168 8.510 8.370 -0.044 0.002 0.467 196 I N 0.046 120.610 120.570 -0.011 0.000 2.193 196 I HA -0.409 nan 4.170 nan 0.000 0.240 196 I C 1.695 177.815 176.117 0.005 0.000 1.084 196 I CA 3.370 64.668 61.300 -0.004 0.000 1.365 196 I CB 0.224 38.218 38.000 -0.010 0.000 1.064 196 I HN -0.545 7.504 8.210 -0.022 0.148 0.410 197 L N -0.613 120.608 121.223 -0.003 0.000 1.971 197 L HA -0.535 nan 4.340 nan 0.000 0.215 197 L C 2.874 179.769 176.870 0.042 0.000 1.072 197 L CA 3.517 58.361 54.840 0.007 0.000 0.758 197 L CB -1.320 40.730 42.059 -0.016 0.000 0.889 197 L HN -0.260 7.959 8.230 -0.018 0.000 0.433 198 T N -0.576 114.016 114.554 0.063 0.000 2.778 198 T HA -0.312 nan 4.350 nan 0.000 0.269 198 T C 2.649 177.410 174.700 0.100 0.000 1.050 198 T CA 4.434 66.621 62.100 0.145 0.000 1.137 198 T CB -0.751 68.233 68.868 0.192 0.000 0.860 198 T HN -0.060 8.202 8.240 0.038 0.000 0.468 199 S N 3.648 119.380 115.700 0.053 0.000 2.382 199 S HA -0.224 nan 4.470 nan 0.000 0.228 199 S C 0.921 175.544 174.600 0.040 0.000 1.027 199 S CA 3.107 61.326 58.200 0.033 0.000 0.991 199 S CB -0.934 62.276 63.200 0.018 0.000 0.823 199 S HN -0.409 7.824 8.310 0.041 0.101 0.469 200 M N -0.770 118.858 119.600 0.046 0.000 2.686 200 M HA -0.074 nan 4.480 nan 0.000 0.246 200 M C -0.569 175.770 176.300 0.066 0.000 1.096 200 M CA 0.227 55.556 55.300 0.049 0.000 1.076 200 M CB 0.108 32.734 32.600 0.043 0.000 1.504 200 M HN -0.612 7.588 8.290 0.045 0.116 0.524 201 V N 0.751 120.717 119.914 0.087 0.000 2.585 201 V HA 0.119 nan 4.120 nan 0.000 0.296 201 V C -0.528 175.617 176.094 0.085 0.000 1.035 201 V CA 1.694 64.061 62.300 0.112 0.000 1.084 201 V CB -0.440 31.502 31.823 0.198 0.000 0.953 201 V HN -0.651 7.402 8.190 0.092 0.192 0.483 202 V N 5.630 125.594 119.914 0.084 0.000 3.007 202 V HA 0.311 nan 4.120 nan 0.000 0.311 202 V C -2.046 174.090 176.094 0.069 0.000 1.120 202 V CA -1.997 60.342 62.300 0.066 0.000 0.980 202 V CB 4.701 36.560 31.823 0.060 0.000 1.033 202 V HN 0.384 8.627 8.190 0.090 0.000 0.429 203 D N 5.373 125.806 120.400 0.055 0.000 2.416 203 D HA 0.059 nan 4.640 nan 0.000 0.240 203 D C 0.882 177.207 176.300 0.040 0.000 1.250 203 D CA 0.055 54.088 54.000 0.055 0.000 0.967 203 D CB -0.550 40.278 40.800 0.046 0.000 1.059 203 D HN -0.024 8.373 8.370 0.045 0.000 0.512 204 V N 5.611 125.554 119.914 0.050 0.000 2.255 204 V HA -0.428 nan 4.120 nan 0.000 0.247 204 V C 1.441 177.556 176.094 0.034 0.000 1.051 204 V CA 3.455 65.779 62.300 0.040 0.000 1.018 204 V CB -0.735 31.130 31.823 0.071 0.000 0.641 204 V HN -0.138 8.082 8.190 0.064 0.009 0.445 205 S N -0.117 115.615 115.700 0.053 0.000 2.353 205 S HA -0.485 nan 4.470 nan 0.000 0.222 205 S C 1.712 176.334 174.600 0.036 0.000 1.035 205 S CA 3.531 61.765 58.200 0.057 0.000 1.025 205 S CB -0.507 62.728 63.200 0.059 0.000 0.902 205 S HN -0.020 8.326 8.310 0.060 0.000 0.440 206 D N 2.246 122.662 120.400 0.027 0.000 2.218 206 D HA -0.232 nan 4.640 nan 0.000 0.204 206 D C 2.146 178.439 176.300 -0.012 0.000 0.976 206 D CA 2.721 56.730 54.000 0.015 0.000 0.853 206 D CB 0.263 41.074 40.800 0.019 0.000 0.939 206 D HN -0.624 8.023 8.370 0.034 -0.257 0.481 207 L N 0.215 121.419 121.223 -0.032 0.000 2.072 207 L HA -0.215 nan 4.340 nan 0.000 0.205 207 L C 1.411 178.180 176.870 -0.167 0.000 1.079 207 L CA 2.984 57.768 54.840 -0.094 0.000 0.752 207 L CB 0.073 42.065 42.059 -0.112 0.000 0.906 207 L HN -0.435 7.678 8.230 -0.015 0.109 0.436 208 L N -1.277 119.871 121.223 -0.125 0.000 2.093 208 L HA -0.484 nan 4.340 nan 0.000 0.208 208 L C 1.922 178.766 176.870 -0.043 0.000 1.085 208 L CA 3.512 58.291 54.840 -0.102 0.000 0.755 208 L CB -0.686 41.400 42.059 0.045 0.000 0.904 208 L HN 0.050 8.238 8.230 -0.069 0.000 0.435 209 D N -1.105 119.287 120.400 -0.013 0.000 2.123 209 D HA -0.368 nan 4.640 nan 0.000 0.196 209 D C 2.166 178.435 176.300 -0.052 0.000 0.992 209 D CA 3.767 57.754 54.000 -0.021 0.000 0.833 209 D CB -0.095 40.711 40.800 0.010 0.000 0.954 209 D HN 0.011 8.384 8.370 0.005 0.000 0.455 210 Q N -0.790 118.982 119.800 -0.046 0.000 2.020 210 Q HA -0.337 nan 4.340 nan 0.000 0.202 210 Q C 2.569 178.550 176.000 -0.032 0.000 0.982 210 Q CA 2.895 58.676 55.803 -0.035 0.000 0.838 210 Q CB 0.115 28.840 28.738 -0.022 0.000 0.899 210 Q HN -0.269 7.794 8.270 -0.045 0.179 0.423 211 A N -0.689 122.096 122.820 -0.057 0.000 1.978 211 A HA -0.323 nan 4.320 nan 0.000 0.220 211 A C 1.915 179.505 177.584 0.009 0.000 1.170 211 A CA 3.006 55.043 52.037 -0.000 0.000 0.636 211 A CB -0.835 18.107 19.000 -0.097 0.000 0.810 211 A HN 0.536 8.503 8.150 -0.117 0.113 0.448 212 R N -1.414 119.061 120.500 -0.041 0.000 2.070 212 R HA -0.319 nan 4.340 nan 0.000 0.233 212 R C 2.994 179.236 176.300 -0.097 0.000 1.137 212 R CA 3.129 59.180 56.100 -0.081 0.000 0.945 212 R CB -0.284 29.889 30.300 -0.213 0.000 0.845 212 R HN 0.449 8.566 8.270 -0.059 0.118 0.430 213 Q N -1.221 118.518 119.800 -0.101 0.000 2.234 213 Q HA -0.254 nan 4.340 nan 0.000 0.206 213 Q C 2.148 178.126 176.000 -0.036 0.000 0.980 213 Q CA 2.741 58.497 55.803 -0.078 0.000 0.869 213 Q CB -0.256 28.445 28.738 -0.061 0.000 0.912 213 Q HN -0.337 7.873 8.270 -0.100 0.000 0.436 214 R N -4.104 116.387 120.500 -0.015 0.000 2.280 214 R HA 0.087 nan 4.340 nan 0.000 0.195 214 R C 0.337 176.644 176.300 0.012 0.000 0.935 214 R CA -0.135 55.965 56.100 -0.000 0.000 1.033 214 R CB 0.544 30.850 30.300 0.010 0.000 0.964 214 R HN -0.604 7.541 8.270 -0.013 0.117 0.489 215 G N 0.003 108.822 108.800 0.031 0.000 2.204 215 G HA2 -0.416 nan 3.960 nan 0.000 0.244 215 G HA3 -0.416 nan 3.960 nan 0.000 0.244 215 G C -0.634 174.334 174.900 0.113 0.000 1.062 215 G CA -0.064 45.082 45.100 0.076 0.000 0.798 215 G HN -0.355 7.820 8.290 0.020 0.126 0.496 216 D N 0.632 121.105 120.400 0.121 0.000 2.304 216 D HA 0.005 nan 4.640 nan 0.000 0.250 216 D C -0.276 176.202 176.300 0.296 0.000 1.107 216 D CA 0.180 54.263 54.000 0.138 0.000 0.885 216 D CB 1.027 41.945 40.800 0.198 0.000 1.192 216 D HN -0.254 8.180 8.370 0.107 0.000 0.436 217 F N 1.130 121.022 119.950 -0.097 0.000 2.519 217 F HA -0.099 nan 4.527 nan 0.000 0.375 217 F C -0.237 175.579 175.800 0.027 0.000 1.084 217 F CA -1.143 56.748 58.000 -0.181 0.000 1.147 217 F CB -0.307 38.269 39.000 -0.707 0.000 1.088 217 F HN 0.115 8.420 8.300 0.008 0.000 0.555 218 V N 5.939 126.039 119.914 0.311 0.000 2.555 218 V HA 0.555 nan 4.120 nan 0.000 0.302 218 V C -2.079 174.076 176.094 0.102 0.000 1.038 218 V CA -1.883 60.501 62.300 0.139 0.000 0.887 218 V CB 2.391 34.180 31.823 -0.057 0.000 0.991 218 V HN 0.806 9.203 8.190 0.345 0.000 0.434 219 M N 5.103 124.701 119.600 -0.004 0.000 2.311 219 M HA 0.643 nan 4.480 nan 0.000 0.325 219 M C -2.027 174.190 176.300 -0.138 0.000 1.061 219 M CA -1.284 54.027 55.300 0.020 0.000 0.957 219 M CB 3.480 36.152 32.600 0.120 0.000 1.646 219 M HN -0.215 8.067 8.290 -0.013 0.000 0.434 220 F N 4.721 124.756 119.950 0.141 0.000 2.421 220 F HA 0.675 nan 4.527 nan 0.000 0.337 220 F C -1.634 174.316 175.800 0.250 0.000 1.105 220 F CA -1.018 57.108 58.000 0.211 0.000 1.049 220 F CB 1.844 40.926 39.000 0.137 0.000 1.139 220 F HN 0.845 9.221 8.300 0.322 0.117 0.479 221 E N 3.649 124.104 120.200 0.424 0.000 2.165 221 E HA 0.626 nan 4.350 nan 0.000 0.266 221 E C -0.759 175.885 176.600 0.072 0.000 0.889 221 E CA -1.884 54.647 56.400 0.218 0.000 0.756 221 E CB 3.432 33.178 29.700 0.077 0.000 1.131 221 E HN 1.045 9.547 8.360 0.441 0.122 0.411 222 G N 3.986 112.831 108.800 0.075 0.000 2.528 222 G HA2 0.204 nan 3.960 nan 0.000 0.289 222 G HA3 0.204 nan 3.960 nan 0.000 0.289 222 G C -2.390 172.451 174.900 -0.097 0.000 1.192 222 G CA -1.132 43.886 45.100 -0.137 0.000 0.921 222 G HN 0.758 9.147 8.290 0.164 0.000 0.512 223 A N -0.220 122.549 122.820 -0.084 0.000 2.485 223 A HA 0.401 nan 4.320 nan 0.000 0.292 223 A C -0.745 176.870 177.584 0.051 0.000 1.147 223 A CA -1.019 51.043 52.037 0.042 0.000 0.750 223 A CB 2.093 21.126 19.000 0.054 0.000 1.331 223 A HN -0.226 7.847 8.150 -0.127 0.000 0.419 224 Q N -1.623 118.231 119.800 0.090 0.000 1.134 224 Q HA -0.380 nan 4.340 nan 0.000 0.391 224 Q C -0.969 175.067 176.000 0.059 0.000 1.017 224 Q CA 1.646 57.495 55.803 0.076 0.000 0.532 224 Q CB -0.045 28.730 28.738 0.062 0.000 5.001 224 Q HN 0.383 8.733 8.270 0.132 0.000 0.513 225 G N -5.287 103.539 108.800 0.043 0.000 2.727 225 G HA2 0.343 nan 3.960 nan 0.000 0.289 225 G HA3 0.343 nan 3.960 nan 0.000 0.289 225 G C 0.023 174.907 174.900 -0.026 0.000 1.418 225 G CA -0.799 44.301 45.100 -0.001 0.000 0.818 225 G HN -0.513 7.809 8.290 0.052 0.000 0.486 226 T N 4.370 118.883 114.554 -0.068 0.000 2.624 226 T HA -0.354 nan 4.350 nan 0.000 0.268 226 T C 2.419 177.080 174.700 -0.065 0.000 1.041 226 T CA 5.365 67.429 62.100 -0.059 0.000 1.159 226 T CB -0.065 68.752 68.868 -0.085 0.000 0.863 226 T HN 0.784 8.870 8.240 -0.074 0.109 0.434 227 L N -1.037 120.062 121.223 -0.207 0.000 2.633 227 L HA -0.185 nan 4.340 nan 0.000 0.235 227 L C 0.548 177.443 176.870 0.041 0.000 1.163 227 L CA 1.894 56.653 54.840 -0.134 0.000 0.859 227 L CB -0.980 40.847 42.059 -0.386 0.000 0.973 227 L HN -0.097 7.906 8.230 -0.379 0.000 0.451 228 L N -2.714 118.536 121.223 0.045 0.000 2.640 228 L HA 0.050 nan 4.340 nan 0.000 0.230 228 L C -0.476 176.436 176.870 0.069 0.000 1.123 228 L CA -1.156 53.737 54.840 0.088 0.000 0.900 228 L CB 0.292 42.407 42.059 0.092 0.000 1.146 228 L HN -0.341 7.695 8.230 0.003 0.195 0.484 229 D N 1.163 121.606 120.400 0.072 0.000 2.434 229 D HA -0.174 nan 4.640 nan 0.000 0.252 229 D C 0.727 177.064 176.300 0.063 0.000 1.185 229 D CA 1.439 55.483 54.000 0.075 0.000 0.886 229 D CB 1.028 41.907 40.800 0.131 0.000 1.148 229 D HN -0.147 8.105 8.370 0.071 0.161 0.483 230 I N 7.914 128.496 120.570 0.021 0.000 2.248 230 I HA -0.418 nan 4.170 nan 0.000 0.248 230 I C -0.001 176.104 176.117 -0.019 0.000 1.107 230 I CA 2.387 63.706 61.300 0.031 0.000 1.373 230 I CB 0.344 38.329 38.000 -0.025 0.000 1.055 230 I HN -0.098 8.108 8.210 -0.007 0.000 0.418 231 D N -2.283 118.045 120.400 -0.121 0.000 2.202 231 D HA -0.052 nan 4.640 nan 0.000 0.214 231 D C 1.309 177.338 176.300 -0.451 0.000 0.967 231 D CA 2.675 56.466 54.000 -0.349 0.000 0.871 231 D CB 1.003 41.504 40.800 -0.498 0.000 1.020 231 D HN -0.353 8.150 8.370 -0.074 -0.177 0.474 232 H N -3.136 115.952 119.070 0.030 0.000 2.586 232 H HA 0.271 nan 4.556 nan 0.000 0.273 232 H C 0.646 176.037 175.328 0.105 0.000 0.997 232 H CA 0.300 56.383 56.048 0.058 0.000 1.177 232 H CB 1.409 31.192 29.762 0.036 0.000 1.471 232 H HN 0.139 8.845 8.280 -0.058 -0.460 0.538 233 G N -1.095 107.811 108.800 0.177 0.000 2.508 233 G HA2 0.179 nan 3.960 nan 0.000 0.278 233 G HA3 0.179 nan 3.960 nan 0.000 0.278 233 G C 0.129 175.160 174.900 0.217 0.000 1.389 233 G CA -0.633 44.572 45.100 0.174 0.000 1.050 233 G HN -0.227 8.028 8.290 0.134 0.115 0.522 234 T N -0.116 114.538 114.554 0.167 0.000 4.508 234 T HA 0.046 nan 4.350 nan 0.000 0.232 234 T C -0.393 174.428 174.700 0.202 0.000 1.027 234 T CA -1.243 60.938 62.100 0.136 0.000 0.999 234 T CB -2.277 66.514 68.868 -0.128 0.000 1.402 234 T HN -0.127 8.194 8.240 0.136 0.000 1.003 235 Y N 5.686 126.042 120.300 0.093 0.000 2.811 235 Y HA -0.235 nan 4.550 nan 0.000 0.334 235 Y C -1.315 174.594 175.900 0.014 0.000 1.247 235 Y CA -0.134 57.980 58.100 0.025 0.000 1.526 235 Y CB 0.725 39.196 38.460 0.017 0.000 1.284 235 Y HN 0.111 8.528 8.280 0.350 0.073 0.586 236 P HA 0.022 nan 4.420 nan 0.000 0.257 236 P C -1.280 175.564 177.300 -0.759 0.000 1.281 236 P CA 0.660 63.046 63.100 -1.190 0.000 0.826 236 P CB -0.060 30.902 31.700 -1.230 0.000 1.237 237 Y N 2.606 122.806 120.300 -0.167 0.000 2.667 237 Y HA -0.053 nan 4.550 nan 0.000 0.340 237 Y C -1.687 174.182 175.900 -0.052 0.000 1.303 237 Y CA 0.237 58.274 58.100 -0.105 0.000 1.769 237 Y CB -2.612 35.787 38.460 -0.100 0.000 1.804 237 Y HN 0.060 8.161 8.280 -0.176 0.073 0.451 238 V N -5.409 114.494 119.914 -0.019 0.000 3.181 238 V HA 0.579 nan 4.120 nan 0.000 0.307 238 V C -1.441 174.658 176.094 0.009 0.000 1.310 238 V CA -2.767 59.556 62.300 0.038 0.000 1.067 238 V CB 3.636 35.504 31.823 0.075 0.000 1.081 238 V HN -0.291 7.780 8.190 -0.129 0.041 0.453 239 T N -0.152 114.416 114.554 0.024 0.000 2.862 239 T HA 0.302 nan 4.350 nan 0.000 0.276 239 T C -0.282 174.402 174.700 -0.027 0.000 0.974 239 T CA -2.014 60.091 62.100 0.009 0.000 0.966 239 T CB 0.749 69.632 68.868 0.025 0.000 1.072 239 T HN 0.388 8.538 8.240 0.040 0.114 0.538 240 S N 0.889 116.550 115.700 -0.065 0.000 2.614 240 S HA 0.313 nan 4.470 nan 0.000 0.230 240 S C -0.659 173.615 174.600 -0.542 0.000 0.952 240 S CA 0.791 58.877 58.200 -0.191 0.000 0.949 240 S CB 0.478 63.638 63.200 -0.068 0.000 0.786 240 S HN 0.315 8.621 8.310 -0.008 0.000 0.478 241 S N -1.254 114.204 115.700 -0.403 0.000 2.599 241 S HA 0.224 nan 4.470 nan 0.000 0.294 241 S C -1.485 173.035 174.600 -0.134 0.000 1.094 241 S CA -2.162 55.788 58.200 -0.417 0.000 0.931 241 S CB 3.276 66.271 63.200 -0.342 0.000 1.093 241 S HN -0.630 7.499 8.310 -0.208 0.055 0.488 242 N N 2.565 121.228 118.700 -0.061 0.000 2.421 242 N HA 0.006 nan 4.740 nan 0.000 0.260 242 N C 0.560 176.125 175.510 0.093 0.000 1.173 242 N CA 1.050 54.118 53.050 0.031 0.000 0.960 242 N CB -0.184 38.334 38.487 0.051 0.000 1.273 242 N HN 0.291 8.629 8.380 -0.070 0.000 0.497 243 T N -0.952 113.650 114.554 0.079 0.000 2.962 243 T HA -0.081 nan 4.350 nan 0.000 0.270 243 T C 1.024 175.817 174.700 0.155 0.000 1.088 243 T CA 1.595 63.758 62.100 0.105 0.000 1.127 243 T CB 0.064 68.969 68.868 0.062 0.000 0.883 243 T HN -0.199 8.104 8.240 0.054 -0.031 0.493 244 T N -0.323 114.298 114.554 0.112 0.000 2.802 244 T HA 0.046 nan 4.350 nan 0.000 0.305 244 T C 1.015 175.739 174.700 0.040 0.000 1.053 244 T CA -1.192 60.946 62.100 0.064 0.000 1.058 244 T CB 0.903 69.784 68.868 0.022 0.000 0.988 244 T HN -0.566 7.977 8.240 0.104 -0.241 0.539 245 A N 1.460 124.257 122.820 -0.038 0.000 2.148 245 A HA -0.365 nan 4.320 nan 0.000 0.222 245 A C 2.195 179.660 177.584 -0.199 0.000 1.161 245 A CA 2.827 54.778 52.037 -0.144 0.000 0.662 245 A CB -0.808 18.101 19.000 -0.150 0.000 0.799 245 A HN 0.508 8.988 8.150 -0.039 -0.353 0.466 246 G N -1.557 107.174 108.800 -0.114 0.000 2.484 246 G HA2 -0.292 nan 3.960 nan 0.000 0.218 246 G HA3 -0.292 nan 3.960 nan 0.000 0.218 246 G C 1.109 175.948 174.900 -0.102 0.000 1.130 246 G CA 0.551 45.586 45.100 -0.107 0.000 0.784 246 G HN 0.198 8.405 8.290 -0.068 0.043 0.543 247 G N -0.226 108.545 108.800 -0.048 0.000 2.534 247 G HA2 -0.139 nan 3.960 nan 0.000 0.217 247 G HA3 -0.139 nan 3.960 nan 0.000 0.217 247 G C 0.680 175.515 174.900 -0.109 0.000 1.128 247 G CA 1.188 46.327 45.100 0.065 0.000 0.784 247 G HN 0.505 8.644 8.290 -0.007 0.147 0.542 248 V N 2.897 122.436 119.914 -0.625 0.000 2.223 248 V HA -0.418 nan 4.120 nan 0.000 0.244 248 V C 2.023 177.839 176.094 -0.464 0.000 1.045 248 V CA 4.159 65.884 62.300 -0.958 0.000 1.000 248 V CB -0.603 30.588 31.823 -1.053 0.000 0.635 248 V HN -0.558 7.137 8.190 -0.554 0.163 0.445 249 A N -2.806 119.800 122.820 -0.358 0.000 1.933 249 A HA -0.343 nan 4.320 nan 0.000 0.218 249 A C 1.913 179.442 177.584 -0.091 0.000 1.175 249 A CA 3.386 55.297 52.037 -0.210 0.000 0.628 249 A CB -0.716 18.175 19.000 -0.182 0.000 0.814 249 A HN 0.250 8.179 8.150 -0.367 0.000 0.444 250 T N -3.031 111.487 114.554 -0.060 0.000 2.777 250 T HA -0.194 nan 4.350 nan 0.000 0.266 250 T C 2.012 176.750 174.700 0.063 0.000 1.040 250 T CA 2.730 64.835 62.100 0.009 0.000 1.141 250 T CB -0.180 68.701 68.868 0.021 0.000 0.868 250 T HN -0.443 7.744 8.240 -0.088 0.000 0.444 251 G N 1.001 109.866 108.800 0.107 0.000 3.233 251 G HA2 0.244 nan 3.960 nan 0.000 0.227 251 G HA3 0.244 nan 3.960 nan 0.000 0.227 251 G C -0.611 174.404 174.900 0.192 0.000 1.175 251 G CA -0.266 44.942 45.100 0.180 0.000 0.781 251 G HN 0.215 8.458 8.290 0.098 0.106 0.542 252 S N -0.174 115.607 115.700 0.135 0.000 2.818 252 S HA 0.205 nan 4.470 nan 0.000 0.251 252 S C 0.946 175.618 174.600 0.120 0.000 1.083 252 S CA 0.214 58.516 58.200 0.171 0.000 0.871 252 S CB 2.382 65.725 63.200 0.238 0.000 0.831 252 S HN -0.688 7.597 8.310 0.073 0.068 0.470 253 G N 2.551 111.393 108.800 0.071 0.000 2.195 253 G HA2 -0.264 nan 3.960 nan 0.000 0.224 253 G HA3 -0.264 nan 3.960 nan 0.000 0.224 253 G C -0.844 174.095 174.900 0.065 0.000 0.990 253 G CA -0.017 45.120 45.100 0.062 0.000 0.639 253 G HN -0.137 8.176 8.290 0.038 0.000 0.514 254 L N 1.864 123.130 121.223 0.072 0.000 2.416 254 L HA 0.051 nan 4.340 nan 0.000 0.272 254 L C -0.282 176.606 176.870 0.030 0.000 1.161 254 L CA 0.737 55.643 54.840 0.109 0.000 0.845 254 L CB 1.027 43.171 42.059 0.142 0.000 1.119 254 L HN -0.510 7.701 8.230 0.063 0.057 0.464 255 G N 3.144 111.989 108.800 0.075 0.000 2.378 255 G HA2 0.147 nan 3.960 nan 0.000 0.255 255 G HA3 0.147 nan 3.960 nan 0.000 0.255 255 G C -0.485 174.270 174.900 -0.241 0.000 1.270 255 G CA -1.871 43.170 45.100 -0.099 0.000 0.876 255 G HN 0.068 8.500 8.290 0.237 0.000 0.521 256 P HA -0.314 nan 4.420 nan 0.000 0.217 256 P C 1.585 178.711 177.300 -0.290 0.000 1.148 256 P CA 2.225 65.181 63.100 -0.240 0.000 0.834 256 P CB 0.247 31.833 31.700 -0.190 0.000 0.783 257 R N -2.632 117.605 120.500 -0.439 0.000 2.241 257 R HA -0.173 nan 4.340 nan 0.000 0.224 257 R C 1.456 177.511 176.300 -0.409 0.000 1.101 257 R CA 2.046 57.869 56.100 -0.463 0.000 0.995 257 R CB -0.440 29.538 30.300 -0.538 0.000 0.870 257 R HN 0.289 8.242 8.270 -0.480 0.030 0.463 258 Y N -3.892 116.391 120.300 -0.028 0.000 2.470 258 Y HA 0.022 nan 4.550 nan 0.000 0.284 258 Y C -0.514 175.393 175.900 0.012 0.000 1.188 258 Y CA -0.868 57.236 58.100 0.007 0.000 1.269 258 Y CB -0.994 37.489 38.460 0.038 0.000 1.094 258 Y HN -0.311 7.620 8.280 -0.515 0.040 0.518 259 V N 0.613 120.540 119.914 0.021 0.000 2.427 259 V HA -0.195 nan 4.120 nan 0.000 0.268 259 V C 0.005 176.121 176.094 0.037 0.000 1.046 259 V CA 0.970 63.268 62.300 -0.003 0.000 0.970 259 V CB -1.104 30.646 31.823 -0.121 0.000 1.001 259 V HN -0.582 7.504 8.190 -0.070 0.062 0.476 260 D N 7.731 128.189 120.400 0.096 0.000 2.214 260 D HA 0.052 nan 4.640 nan 0.000 0.217 260 D C -1.029 175.332 176.300 0.101 0.000 0.973 260 D CA 2.993 57.053 54.000 0.099 0.000 0.880 260 D CB 1.436 42.312 40.800 0.128 0.000 1.031 260 D HN 0.239 8.690 8.370 0.135 0.000 0.468 261 Y N -2.784 117.488 120.300 -0.048 0.000 2.524 261 Y HA 0.115 nan 4.550 nan 0.000 0.347 261 Y C -2.771 173.073 175.900 -0.093 0.000 1.005 261 Y CA -0.848 57.201 58.100 -0.086 0.000 1.025 261 Y CB 3.788 42.178 38.460 -0.116 0.000 1.275 261 Y HN -0.592 7.792 8.280 0.173 0.000 0.460 262 V N 6.300 126.095 119.914 -0.199 0.000 2.407 262 V HA 0.556 nan 4.120 nan 0.000 0.291 262 V C -1.986 174.055 176.094 -0.089 0.000 1.018 262 V CA -1.510 60.738 62.300 -0.086 0.000 0.842 262 V CB 1.323 33.048 31.823 -0.163 0.000 0.996 262 V HN 0.612 8.416 8.190 -0.644 0.000 0.426 263 L N 7.675 128.981 121.223 0.139 0.000 2.275 263 L HA 0.749 nan 4.340 nan 0.000 0.288 263 L C -1.452 175.458 176.870 0.067 0.000 1.046 263 L CA -1.335 53.607 54.840 0.171 0.000 0.805 263 L CB 2.533 44.693 42.059 0.168 0.000 1.193 263 L HN 1.149 9.351 8.230 0.144 0.115 0.426 264 G N 5.544 114.377 108.800 0.055 0.000 2.384 264 G HA2 0.543 nan 3.960 nan 0.000 0.316 264 G HA3 0.543 nan 3.960 nan 0.000 0.316 264 G C -1.252 173.771 174.900 0.205 0.000 1.160 264 G CA -1.464 43.705 45.100 0.116 0.000 0.936 264 G HN 0.890 9.190 8.290 0.017 0.000 0.455 265 I N 7.046 127.691 120.570 0.126 0.000 2.421 265 I HA 0.148 nan 4.170 nan 0.000 0.291 265 I C -1.256 174.909 176.117 0.080 0.000 1.089 265 I CA -1.465 59.892 61.300 0.096 0.000 1.354 265 I CB -1.335 36.696 38.000 0.051 0.000 1.413 265 I HN 1.108 9.373 8.210 0.093 0.000 0.513 266 L N 10.071 131.332 121.223 0.064 0.000 2.301 266 L HA 0.398 nan 4.340 nan 0.000 0.278 266 L C -2.125 174.719 176.870 -0.044 0.000 1.022 266 L CA -1.810 53.007 54.840 -0.039 0.000 0.854 266 L CB 2.088 44.011 42.059 -0.227 0.000 1.226 266 L HN 1.022 9.188 8.230 0.084 0.114 0.429 267 K N 6.989 127.355 120.400 -0.058 0.000 2.414 267 K HA -0.169 nan 4.320 nan 0.000 0.272 267 K C -0.263 176.302 176.600 -0.059 0.000 0.993 267 K CA 0.597 56.817 56.287 -0.111 0.000 0.964 267 K CB 0.882 33.239 32.500 -0.239 0.000 0.925 267 K HN -0.388 8.026 8.250 -0.054 -0.197 0.487 268 A N 2.699 125.526 122.820 0.011 0.000 2.070 268 A HA -0.190 nan 4.320 nan 0.000 0.220 268 A C -1.057 176.771 177.584 0.406 0.000 1.159 268 A CA 2.344 54.546 52.037 0.275 0.000 0.656 268 A CB 0.675 19.922 19.000 0.411 0.000 0.800 268 A HN 0.450 8.595 8.150 -0.007 0.000 0.453 269 Y N -8.415 112.039 120.300 0.257 0.000 2.818 269 Y HA 0.752 nan 4.550 nan 0.000 0.322 269 Y C -2.072 173.985 175.900 0.261 0.000 1.323 269 Y CA -3.908 54.358 58.100 0.276 0.000 1.090 269 Y CB 2.533 41.103 38.460 0.183 0.000 1.328 269 Y HN -0.843 7.125 8.280 -0.448 0.044 0.482 270 S N -0.069 115.896 115.700 0.441 0.000 2.578 270 S HA 0.404 nan 4.470 nan 0.000 0.301 270 S C -1.436 173.415 174.600 0.419 0.000 1.091 270 S CA -1.116 57.338 58.200 0.423 0.000 1.032 270 S CB 2.821 66.455 63.200 0.724 0.000 1.064 270 S HN 0.893 9.416 8.310 0.554 0.119 0.508 271 T N -2.787 111.883 114.554 0.194 0.000 2.883 271 T HA 0.527 nan 4.350 nan 0.000 0.301 271 T C -2.334 172.212 174.700 -0.258 0.000 1.158 271 T CA -1.820 60.308 62.100 0.047 0.000 1.007 271 T CB 3.093 71.995 68.868 0.057 0.000 1.186 271 T HN 0.169 8.531 8.240 0.203 0.000 0.499 272 R N 0.595 120.886 120.500 -0.348 0.000 2.633 272 R HA 0.408 nan 4.340 nan 0.000 0.256 272 R C -2.282 173.850 176.300 -0.280 0.000 1.131 272 R CA 0.308 56.114 56.100 -0.490 0.000 0.994 272 R CB 4.075 33.634 30.300 -1.235 0.000 1.261 272 R HN 0.331 8.566 8.270 -0.192 -0.079 0.446 273 V N 1.963 121.770 119.914 -0.179 0.000 2.417 273 V HA 0.731 nan 4.120 nan 0.000 0.291 273 V C -0.702 175.331 176.094 -0.102 0.000 1.024 273 V CA -2.373 59.858 62.300 -0.115 0.000 0.861 273 V CB 0.329 32.115 31.823 -0.062 0.000 0.985 273 V HN 0.646 8.749 8.190 -0.146 0.000 0.436 274 G N 4.171 112.914 108.800 -0.094 0.000 2.459 274 G HA2 -0.185 nan 3.960 nan 0.000 0.685 274 G HA3 -0.185 nan 3.960 nan 0.000 0.685 274 G C -1.880 172.955 174.900 -0.108 0.000 1.303 274 G CA -0.844 44.218 45.100 -0.063 0.000 0.907 274 G HN -0.328 7.906 8.290 -0.094 0.000 0.632 275 A N -0.399 122.371 122.820 -0.084 0.000 2.406 275 A HA 0.221 nan 4.320 nan 0.000 0.243 275 A C -1.040 176.315 177.584 -0.383 0.000 1.082 275 A CA 0.390 52.281 52.037 -0.243 0.000 0.786 275 A CB 0.776 19.606 19.000 -0.284 0.000 1.029 275 A HN 0.092 8.238 8.150 -0.007 0.000 0.495 276 G N -2.666 105.805 108.800 -0.549 0.000 2.329 276 G HA2 -0.114 nan 3.960 nan 0.000 0.308 276 G HA3 -0.114 nan 3.960 nan 0.000 0.308 276 G C -3.414 171.279 174.900 -0.345 0.000 1.587 276 G CA -0.530 44.280 45.100 -0.482 0.000 0.978 276 G HN -0.389 7.609 8.290 -0.488 0.000 0.685 277 P HA 0.009 nan 4.420 nan 0.000 0.265 277 P C -1.977 175.209 177.300 -0.189 0.000 1.187 277 P CA 0.566 63.543 63.100 -0.206 0.000 0.766 277 P CB 0.441 31.883 31.700 -0.430 0.000 0.820 278 F N 2.165 121.998 119.950 -0.195 0.000 3.159 278 F HA 0.211 nan 4.527 nan 0.000 0.394 278 F C -2.132 173.669 175.800 0.002 0.000 1.214 278 F CA -4.040 53.828 58.000 -0.220 0.000 1.241 278 F CB -0.333 38.427 39.000 -0.400 0.000 2.238 278 F HN -0.143 8.239 8.300 0.137 0.000 0.658 279 P HA -0.233 nan 4.420 nan 0.000 0.218 279 P C -0.381 177.010 177.300 0.152 0.000 1.165 279 P CA 2.467 65.705 63.100 0.231 0.000 0.922 279 P CB 0.134 31.988 31.700 0.258 0.000 0.794 280 T N -7.933 106.753 114.554 0.220 0.000 3.380 280 T HA 0.002 nan 4.350 nan 0.000 0.250 280 T C -0.064 174.400 174.700 -0.392 0.000 1.082 280 T CA -1.214 61.002 62.100 0.195 0.000 0.968 280 T CB -1.113 68.075 68.868 0.534 0.000 1.027 280 T HN 0.075 8.567 8.240 0.420 0.000 0.575 281 E N 1.585 121.229 120.200 -0.926 0.000 2.366 281 E HA -0.077 nan 4.350 nan 0.000 0.266 281 E C -0.675 175.352 176.600 -0.955 0.000 1.015 281 E CA 0.256 55.796 56.400 -1.433 0.000 0.906 281 E CB 0.521 29.379 29.700 -1.402 0.000 0.979 281 E HN -0.393 7.385 8.360 -0.668 0.182 0.443 282 L N 5.965 126.645 121.223 -0.906 0.000 2.289 282 L HA 0.113 nan 4.340 nan 0.000 0.285 282 L C -0.675 175.780 176.870 -0.692 0.000 1.049 282 L CA -0.560 53.907 54.840 -0.622 0.000 0.804 282 L CB 0.897 42.616 42.059 -0.566 0.000 1.195 282 L HN 0.712 8.272 8.230 -0.916 0.121 0.428 283 F N -0.223 119.626 119.950 -0.167 0.000 2.688 283 F HA 0.137 nan 4.527 nan 0.000 0.310 283 F C -0.327 175.414 175.800 -0.098 0.000 1.098 283 F CA -0.459 57.467 58.000 -0.122 0.000 1.228 283 F CB 0.775 39.718 39.000 -0.096 0.000 1.042 283 F HN 0.251 8.613 8.300 0.104 0.000 0.557 284 D N 0.793 121.206 120.400 0.022 0.000 2.539 284 D HA 0.076 nan 4.640 nan 0.000 0.276 284 D C 1.172 177.443 176.300 -0.048 0.000 1.206 284 D CA -1.365 52.631 54.000 -0.007 0.000 1.081 284 D CB 0.485 41.278 40.800 -0.012 0.000 1.142 284 D HN -0.393 7.900 8.370 -0.043 0.051 0.595 285 E N -1.128 119.048 120.200 -0.042 0.000 2.097 285 E HA -0.333 nan 4.350 nan 0.000 0.196 285 E C 2.385 178.950 176.600 -0.058 0.000 1.000 285 E CA 4.253 60.631 56.400 -0.037 0.000 0.804 285 E CB -0.843 28.831 29.700 -0.043 0.000 0.740 285 E HN 0.518 8.859 8.360 -0.031 0.000 0.454 286 T N 2.425 116.896 114.554 -0.138 0.000 2.746 286 T HA -0.208 nan 4.350 nan 0.000 0.267 286 T C 1.883 176.452 174.700 -0.219 0.000 1.039 286 T CA 4.202 66.162 62.100 -0.232 0.000 1.142 286 T CB -0.637 68.011 68.868 -0.367 0.000 0.866 286 T HN 0.189 8.350 8.240 -0.133 -0.000 0.444 287 G N 1.394 110.042 108.800 -0.253 0.000 2.491 287 G HA2 -0.357 nan 3.960 nan 0.000 0.218 287 G HA3 -0.357 nan 3.960 nan 0.000 0.218 287 G C 1.206 176.009 174.900 -0.162 0.000 1.180 287 G CA 2.093 47.033 45.100 -0.267 0.000 0.774 287 G HN -0.327 8.005 8.290 -0.237 -0.184 0.562 288 E N 3.761 123.908 120.200 -0.089 0.000 2.058 288 E HA -0.345 nan 4.350 nan 0.000 0.194 288 E C 1.819 178.405 176.600 -0.023 0.000 0.997 288 E CA 2.390 58.763 56.400 -0.045 0.000 0.801 288 E CB -0.433 29.262 29.700 -0.009 0.000 0.746 288 E HN -0.094 8.215 8.360 -0.085 0.000 0.450 289 F N 0.527 120.378 119.950 -0.165 0.000 2.126 289 F HA -0.347 nan 4.527 nan 0.000 0.299 289 F C 1.400 177.064 175.800 -0.227 0.000 1.096 289 F CA 3.309 61.206 58.000 -0.170 0.000 1.255 289 F CB 0.154 39.048 39.000 -0.177 0.000 0.997 289 F HN 0.351 8.541 8.300 0.114 0.180 0.479 290 L N -1.226 119.968 121.223 -0.049 0.000 1.994 290 L HA -0.558 nan 4.340 nan 0.000 0.208 290 L C 1.917 178.589 176.870 -0.330 0.000 1.071 290 L CA 3.629 58.256 54.840 -0.356 0.000 0.745 290 L CB -0.495 41.263 42.059 -0.502 0.000 0.892 290 L HN 0.452 8.588 8.230 0.028 0.110 0.431 291 C N -1.709 117.461 119.300 -0.216 0.000 2.403 291 C HA -0.525 nan 4.460 nan 0.000 0.277 291 C C 1.967 176.884 174.990 -0.122 0.000 1.248 291 C CA 3.933 62.843 59.018 -0.181 0.000 1.762 291 C CB -2.024 25.592 27.740 -0.208 0.000 2.014 291 C HN -0.122 7.990 8.230 -0.196 0.000 0.486 292 K N -0.295 120.013 120.400 -0.154 0.000 1.965 292 K HA -0.379 nan 4.320 nan 0.000 0.214 292 K C 2.609 179.095 176.600 -0.190 0.000 1.042 292 K CA 3.416 59.625 56.287 -0.130 0.000 0.950 292 K CB -0.182 32.208 32.500 -0.183 0.000 0.733 292 K HN -0.155 7.910 8.250 -0.181 0.077 0.441 293 Q N -3.435 116.112 119.800 -0.422 0.000 2.297 293 Q HA -0.240 nan 4.340 nan 0.000 0.208 293 Q C 2.261 178.169 176.000 -0.153 0.000 0.981 293 Q CA 1.997 57.578 55.803 -0.370 0.000 0.876 293 Q CB -0.201 28.139 28.738 -0.663 0.000 0.921 293 Q HN 0.052 7.931 8.270 -0.652 0.000 0.446 294 G N -3.739 104.994 108.800 -0.112 0.000 3.042 294 G HA2 0.063 nan 3.960 nan 0.000 0.212 294 G HA3 0.063 nan 3.960 nan 0.000 0.212 294 G C -1.208 173.758 174.900 0.111 0.000 1.166 294 G CA -1.000 44.148 45.100 0.081 0.000 0.767 294 G HN 0.024 8.174 8.290 -0.206 0.016 0.546 295 N N -0.285 118.473 118.700 0.097 0.000 2.689 295 N HA -0.520 nan 4.740 nan 0.000 0.263 295 N C -0.901 174.769 175.510 0.267 0.000 0.987 295 N CA 1.108 54.293 53.050 0.224 0.000 0.782 295 N CB -0.272 38.311 38.487 0.160 0.000 0.903 295 N HN 0.139 8.354 8.380 0.036 0.187 0.547 296 E N 0.012 120.255 120.200 0.071 0.000 1.861 296 E HA 0.128 nan 4.350 nan 0.000 0.263 296 E C -1.650 174.601 176.600 -0.582 0.000 1.137 296 E CA -0.948 55.365 56.400 -0.145 0.000 0.944 296 E CB -0.972 28.632 29.700 -0.160 0.000 1.092 296 E HN -0.224 8.146 8.360 0.017 0.000 0.420 297 F N 2.057 122.024 119.950 0.029 0.000 2.573 297 F HA 0.210 nan 4.527 nan 0.000 0.316 297 F C -0.376 175.438 175.800 0.023 0.000 1.148 297 F CA -1.056 56.955 58.000 0.018 0.000 0.940 297 F CB 3.314 42.321 39.000 0.010 0.000 1.214 297 F HN -0.506 7.925 8.300 0.219 0.000 0.448 298 G N 0.968 109.851 108.800 0.139 0.000 2.138 298 G HA2 -0.236 nan 3.960 nan 0.000 0.244 298 G HA3 -0.236 nan 3.960 nan 0.000 0.244 298 G C -0.141 174.829 174.900 0.117 0.000 1.166 298 G CA 0.529 45.687 45.100 0.096 0.000 0.902 298 G HN 0.729 8.978 8.290 0.102 0.102 0.460 299 A N 2.774 125.656 122.820 0.102 0.000 2.209 299 A HA -0.007 nan 4.320 nan 0.000 0.212 299 A C -0.338 177.351 177.584 0.176 0.000 1.158 299 A CA 2.132 54.238 52.037 0.114 0.000 0.742 299 A CB -0.339 18.701 19.000 0.067 0.000 0.790 299 A HN 0.550 8.752 8.150 0.085 0.000 0.472 300 T N -1.918 112.702 114.554 0.109 0.000 3.085 300 T HA 0.067 nan 4.350 nan 0.000 0.241 300 T C 0.685 175.372 174.700 -0.022 0.000 0.988 300 T CA 1.925 64.043 62.100 0.029 0.000 1.117 300 T CB 0.231 69.081 68.868 -0.029 0.000 0.978 300 T HN -0.082 8.156 8.240 0.076 0.047 0.454 301 T N -1.172 113.384 114.554 0.004 0.000 3.023 301 T HA 0.267 nan 4.350 nan 0.000 0.253 301 T C 1.278 176.000 174.700 0.037 0.000 1.038 301 T CA -0.024 62.076 62.100 0.000 0.000 0.962 301 T CB -0.066 68.796 68.868 -0.009 0.000 1.018 301 T HN 0.001 8.252 8.240 0.018 0.000 0.521 302 G N 1.840 110.685 108.800 0.075 0.000 2.168 302 G HA2 -0.281 nan 3.960 nan 0.000 0.263 302 G HA3 -0.281 nan 3.960 nan 0.000 0.263 302 G C -0.515 174.502 174.900 0.195 0.000 0.977 302 G CA 0.310 45.481 45.100 0.118 0.000 0.659 302 G HN -0.366 7.871 8.290 0.080 0.100 0.533 303 R N -1.342 119.240 120.500 0.137 0.000 2.643 303 R HA -0.074 nan 4.340 nan 0.000 0.270 303 R C -0.352 176.016 176.300 0.114 0.000 1.061 303 R CA -0.715 55.457 56.100 0.120 0.000 1.107 303 R CB 0.692 31.015 30.300 0.039 0.000 0.999 303 R HN -0.218 8.043 8.270 0.090 0.063 0.460 304 R N 2.011 122.540 120.500 0.048 0.000 2.543 304 R HA 0.091 nan 4.340 nan 0.000 0.277 304 R C -0.267 175.875 176.300 -0.264 0.000 1.074 304 R CA 0.069 55.979 56.100 -0.318 0.000 1.076 304 R CB 0.536 30.722 30.300 -0.191 0.000 0.993 304 R HN 0.243 8.571 8.270 0.096 0.000 0.459 305 R N 4.867 125.148 120.500 -0.365 0.000 2.457 305 R HA 0.070 nan 4.340 nan 0.000 0.284 305 R C -0.148 176.053 176.300 -0.164 0.000 1.024 305 R CA -0.530 55.448 56.100 -0.204 0.000 1.025 305 R CB 1.338 31.544 30.300 -0.156 0.000 1.063 305 R HN 0.001 7.904 8.270 -0.611 0.000 0.493 306 R N 2.263 122.703 120.500 -0.099 0.000 2.389 306 R HA 0.057 nan 4.340 nan 0.000 0.295 306 R C -0.612 175.752 176.300 0.107 0.000 1.075 306 R CA 0.532 56.614 56.100 -0.030 0.000 1.005 306 R CB 0.624 30.955 30.300 0.050 0.000 0.987 306 R HN 0.775 8.854 8.270 -0.118 0.120 0.452 307 T N -2.334 112.201 114.554 -0.032 0.000 2.932 307 T HA 0.770 nan 4.350 nan 0.000 0.289 307 T C -1.148 173.410 174.700 -0.236 0.000 1.039 307 T CA -2.904 59.203 62.100 0.011 0.000 1.024 307 T CB 3.227 72.042 68.868 -0.087 0.000 1.090 307 T HN 0.129 8.260 8.240 -0.183 0.000 0.496 308 G N 0.280 109.025 108.800 -0.092 0.000 2.488 308 G HA2 0.563 nan 3.960 nan 0.000 0.301 308 G HA3 0.563 nan 3.960 nan 0.000 0.301 308 G C -2.523 172.357 174.900 -0.034 0.000 1.339 308 G CA 0.617 45.508 45.100 -0.347 0.000 0.803 308 G HN 0.239 8.657 8.290 0.213 0.000 0.482 309 W N -2.020 119.372 121.300 0.153 0.000 2.093 309 W HA 0.258 nan 4.660 nan 0.000 0.352 309 W C 0.304 177.037 176.519 0.356 0.000 1.294 309 W CA -0.650 56.839 57.345 0.239 0.000 1.290 309 W CB 0.978 30.533 29.460 0.159 0.000 1.149 309 W HN -0.076 8.075 8.180 -0.049 0.000 0.606 310 L N 1.049 122.654 121.223 0.638 0.000 2.455 310 L HA -0.047 nan 4.340 nan 0.000 0.272 310 L C -1.713 175.401 176.870 0.406 0.000 1.174 310 L CA 0.984 56.081 54.840 0.430 0.000 0.869 310 L CB 0.819 43.058 42.059 0.300 0.000 1.130 310 L HN 0.541 9.206 8.230 0.726 0.000 0.474 311 D N 6.233 126.847 120.400 0.356 0.000 2.460 311 D HA 0.255 nan 4.640 nan 0.000 0.232 311 D C 0.204 176.602 176.300 0.163 0.000 1.079 311 D CA -1.145 53.056 54.000 0.335 0.000 0.864 311 D CB 1.709 42.804 40.800 0.492 0.000 1.048 311 D HN 0.324 8.881 8.370 0.311 0.000 0.523 312 T N 7.133 121.741 114.554 0.091 0.000 2.821 312 T HA -0.208 nan 4.350 nan 0.000 0.267 312 T C 1.688 176.372 174.700 -0.027 0.000 1.046 312 T CA 4.295 66.399 62.100 0.007 0.000 1.139 312 T CB -0.091 68.768 68.868 -0.015 0.000 0.871 312 T HN 0.412 8.723 8.240 0.118 0.000 0.454 313 V N 1.071 120.933 119.914 -0.087 0.000 2.287 313 V HA -0.409 nan 4.120 nan 0.000 0.248 313 V C 1.630 177.660 176.094 -0.106 0.000 1.053 313 V CA 4.122 66.278 62.300 -0.239 0.000 1.027 313 V CB -1.004 30.385 31.823 -0.723 0.000 0.646 313 V HN -0.165 8.080 8.190 -0.055 -0.088 0.447 314 A N -1.673 121.179 122.820 0.053 0.000 1.898 314 A HA -0.249 nan 4.320 nan 0.000 0.216 314 A C 2.016 179.616 177.584 0.028 0.000 1.181 314 A CA 3.212 55.336 52.037 0.145 0.000 0.620 314 A CB -0.598 18.552 19.000 0.250 0.000 0.819 314 A HN -0.454 8.096 8.150 0.112 -0.333 0.442 315 V N -0.379 119.542 119.914 0.010 0.000 2.392 315 V HA -0.486 nan 4.120 nan 0.000 0.249 315 V C 2.270 178.401 176.094 0.062 0.000 1.059 315 V CA 4.266 66.573 62.300 0.012 0.000 1.051 315 V CB -1.061 30.748 31.823 -0.024 0.000 0.658 315 V HN 0.299 8.399 8.190 0.032 0.109 0.455 316 R N -2.233 118.288 120.500 0.034 0.000 2.241 316 R HA -0.325 nan 4.340 nan 0.000 0.224 316 R C 2.172 178.472 176.300 0.000 0.000 1.101 316 R CA 3.300 59.415 56.100 0.024 0.000 0.995 316 R CB -0.271 30.022 30.300 -0.011 0.000 0.870 316 R HN 0.395 8.565 8.270 0.010 0.106 0.463 317 R N -0.259 120.243 120.500 0.003 0.000 2.073 317 R HA -0.199 nan 4.340 nan 0.000 0.229 317 R C 1.470 177.756 176.300 -0.023 0.000 1.120 317 R CA 2.491 58.591 56.100 0.000 0.000 0.967 317 R CB -0.534 29.794 30.300 0.048 0.000 0.862 317 R HN -0.113 8.002 8.270 0.012 0.161 0.436 318 A N -0.794 122.017 122.820 -0.015 0.000 1.908 318 A HA -0.255 nan 4.320 nan 0.000 0.218 318 A C 2.313 179.875 177.584 -0.038 0.000 1.181 318 A CA 3.162 55.183 52.037 -0.026 0.000 0.627 318 A CB -0.894 18.104 19.000 -0.004 0.000 0.818 318 A HN -0.547 7.529 8.150 -0.006 0.070 0.445 319 V N -0.944 118.958 119.914 -0.020 0.000 2.233 319 V HA -0.548 nan 4.120 nan 0.000 0.247 319 V C 2.376 178.402 176.094 -0.113 0.000 1.050 319 V CA 4.492 66.740 62.300 -0.087 0.000 1.010 319 V CB -0.880 30.907 31.823 -0.060 0.000 0.637 319 V HN -0.018 8.184 8.190 0.027 0.004 0.444 320 Q N -1.354 118.392 119.800 -0.090 0.000 2.124 320 Q HA -0.314 nan 4.340 nan 0.000 0.202 320 Q C 2.251 178.176 176.000 -0.125 0.000 0.977 320 Q CA 2.694 58.435 55.803 -0.102 0.000 0.850 320 Q CB -0.375 28.313 28.738 -0.083 0.000 0.901 320 Q HN -0.609 7.622 8.270 -0.066 0.000 0.429 321 L N -2.411 118.730 121.223 -0.136 0.000 2.109 321 L HA -0.231 nan 4.340 nan 0.000 0.207 321 L C 1.311 178.087 176.870 -0.157 0.000 1.086 321 L CA 2.027 56.757 54.840 -0.184 0.000 0.760 321 L CB 0.133 42.064 42.059 -0.215 0.000 0.910 321 L HN -0.317 7.845 8.230 -0.114 0.000 0.437 322 N N -3.567 115.054 118.700 -0.131 0.000 2.353 322 N HA 0.025 nan 4.740 nan 0.000 0.185 322 N C -0.127 175.293 175.510 -0.150 0.000 1.098 322 N CA 0.607 53.581 53.050 -0.125 0.000 0.872 322 N CB 0.884 39.313 38.487 -0.098 0.000 0.970 322 N HN -0.547 7.761 8.380 -0.120 0.000 0.467 323 S N -3.231 112.374 115.700 -0.158 0.000 3.706 323 S HA -0.503 nan 4.470 nan 0.000 0.363 323 S C -0.027 174.438 174.600 -0.225 0.000 0.999 323 S CA 0.923 59.018 58.200 -0.174 0.000 1.143 323 S CB -2.382 60.724 63.200 -0.157 0.000 0.902 323 S HN -0.418 7.764 8.310 -0.149 0.038 0.476 324 L N -1.951 119.119 121.223 -0.254 0.000 2.558 324 L HA -0.326 nan 4.340 nan 0.000 0.301 324 L C 0.868 177.479 176.870 -0.433 0.000 1.267 324 L CA 1.602 56.229 54.840 -0.354 0.000 0.854 324 L CB 0.237 42.026 42.059 -0.449 0.000 1.103 324 L HN -0.478 7.620 8.230 -0.221 0.000 0.522 325 S N 0.739 116.079 115.700 -0.599 0.000 2.665 325 S HA 0.235 nan 4.470 nan 0.000 0.240 325 S C -0.349 173.872 174.600 -0.631 0.000 1.081 325 S CA 0.581 58.319 58.200 -0.771 0.000 0.887 325 S CB 2.218 64.475 63.200 -1.572 0.000 0.805 325 S HN 0.518 8.466 8.310 -0.604 0.000 0.486 326 G N -0.635 107.835 108.800 -0.551 0.000 2.608 326 G HA2 0.270 nan 3.960 nan 0.000 0.291 326 G HA3 0.270 nan 3.960 nan 0.000 0.291 326 G C -3.147 171.610 174.900 -0.240 0.000 1.425 326 G CA 0.794 45.730 45.100 -0.273 0.000 0.787 326 G HN -0.783 7.168 8.290 -0.565 0.000 0.484 327 F N -1.785 118.180 119.950 0.026 0.000 2.507 327 F HA 0.839 nan 4.527 nan 0.000 0.327 327 F C -1.674 174.149 175.800 0.039 0.000 1.068 327 F CA -2.340 55.672 58.000 0.021 0.000 0.965 327 F CB 4.267 43.271 39.000 0.007 0.000 1.192 327 F HN 0.137 8.512 8.300 0.124 0.000 0.476 328 C N 4.385 123.840 119.300 0.259 0.000 2.291 328 C HA 0.661 nan 4.460 nan 0.000 0.322 328 C C -1.496 173.563 174.990 0.114 0.000 1.205 328 C CA -2.478 56.626 59.018 0.143 0.000 1.495 328 C CB -0.169 27.625 27.740 0.091 0.000 2.127 328 C HN 0.903 9.208 8.230 0.292 0.100 0.452 329 L N 10.841 132.121 121.223 0.095 0.000 2.361 329 L HA 0.496 nan 4.340 nan 0.000 0.278 329 L C -1.818 175.094 176.870 0.071 0.000 1.113 329 L CA 0.134 55.012 54.840 0.064 0.000 0.849 329 L CB 1.918 44.022 42.059 0.074 0.000 1.155 329 L HN 0.254 8.546 8.230 0.104 0.000 0.452 330 T N 2.318 116.907 114.554 0.060 0.000 2.940 330 T HA 0.480 nan 4.350 nan 0.000 0.288 330 T C -0.291 174.463 174.700 0.090 0.000 1.045 330 T CA -2.145 59.992 62.100 0.061 0.000 1.018 330 T CB 2.198 71.088 68.868 0.035 0.000 1.151 330 T HN 0.694 8.854 8.240 0.041 0.104 0.529 331 K N -1.996 118.473 120.400 0.115 0.000 3.016 331 K HA -0.446 nan 4.320 nan 0.000 0.262 331 K C 1.328 178.099 176.600 0.285 0.000 1.043 331 K CA 1.603 58.006 56.287 0.194 0.000 0.761 331 K CB -2.314 30.296 32.500 0.184 0.000 1.230 331 K HN 0.462 8.769 8.250 0.095 0.000 0.485 332 L N -1.186 120.190 121.223 0.256 0.000 2.131 332 L HA -0.312 nan 4.340 nan 0.000 0.210 332 L C 0.499 177.601 176.870 0.387 0.000 1.092 332 L CA 3.155 58.196 54.840 0.334 0.000 0.759 332 L CB -0.160 42.056 42.059 0.262 0.000 0.903 332 L HN -0.550 7.770 8.230 0.193 0.026 0.435 333 D N -1.754 118.834 120.400 0.313 0.000 2.218 333 D HA -0.282 nan 4.640 nan 0.000 0.204 333 D C 2.035 178.514 176.300 0.298 0.000 0.976 333 D CA 2.663 56.864 54.000 0.335 0.000 0.853 333 D CB -0.698 40.304 40.800 0.336 0.000 0.939 333 D HN 0.285 8.784 8.370 0.253 0.022 0.481 334 V N -0.176 119.898 119.914 0.267 0.000 2.809 334 V HA -0.197 nan 4.120 nan 0.000 0.256 334 V C 0.701 176.887 176.094 0.155 0.000 1.080 334 V CA 1.992 64.386 62.300 0.157 0.000 1.102 334 V CB -0.479 31.441 31.823 0.161 0.000 0.705 334 V HN -0.702 7.634 8.190 0.312 0.041 0.475 335 L N -5.285 116.031 121.223 0.155 0.000 2.599 335 L HA 0.015 nan 4.340 nan 0.000 0.230 335 L C -0.287 176.435 176.870 -0.246 0.000 1.141 335 L CA -0.187 54.626 54.840 -0.045 0.000 0.877 335 L CB -0.643 41.284 42.059 -0.221 0.000 1.009 335 L HN -0.881 7.452 8.230 0.233 0.036 0.447 336 D N -0.072 120.323 120.400 -0.009 0.000 2.458 336 D HA -0.187 nan 4.640 nan 0.000 0.243 336 D C 1.198 177.488 176.300 -0.017 0.000 1.146 336 D CA 2.031 56.017 54.000 -0.022 0.000 0.877 336 D CB -0.449 40.480 40.800 0.215 0.000 1.176 336 D HN -0.711 7.582 8.370 0.157 0.171 0.461 337 G N 2.150 110.875 108.800 -0.124 0.000 2.175 337 G HA2 -0.504 nan 3.960 nan 0.000 0.244 337 G HA3 -0.504 nan 3.960 nan 0.000 0.244 337 G C -0.864 173.894 174.900 -0.236 0.000 0.982 337 G CA -0.021 45.028 45.100 -0.085 0.000 0.641 337 G HN 0.477 8.645 8.290 -0.203 0.000 0.527 338 L N 1.476 122.468 121.223 -0.385 0.000 2.290 338 L HA -0.007 nan 4.340 nan 0.000 0.284 338 L C -0.014 176.657 176.870 -0.332 0.000 1.078 338 L CA -0.686 53.891 54.840 -0.439 0.000 0.815 338 L CB 0.379 42.153 42.059 -0.475 0.000 1.162 338 L HN -0.446 7.453 8.230 -0.460 0.056 0.435 339 K N 3.511 123.768 120.400 -0.239 0.000 2.097 339 K HA -0.310 nan 4.320 nan 0.000 0.206 339 K C -0.425 176.087 176.600 -0.148 0.000 1.049 339 K CA 2.387 58.580 56.287 -0.157 0.000 0.933 339 K CB 0.366 32.795 32.500 -0.119 0.000 0.717 339 K HN 0.564 8.662 8.250 -0.253 0.000 0.442 340 E N -6.980 113.121 120.200 -0.165 0.000 2.413 340 E HA 0.561 nan 4.350 nan 0.000 0.277 340 E C -1.604 174.873 176.600 -0.205 0.000 0.958 340 E CA -1.907 54.396 56.400 -0.161 0.000 0.779 340 E CB 3.700 33.321 29.700 -0.132 0.000 1.278 340 E HN -0.742 7.496 8.360 -0.175 0.017 0.456 341 V N -5.292 114.461 119.914 -0.268 0.000 2.638 341 V HA 0.563 nan 4.120 nan 0.000 0.306 341 V C -1.785 173.958 176.094 -0.586 0.000 1.052 341 V CA -1.963 60.094 62.300 -0.404 0.000 0.885 341 V CB 2.691 34.384 31.823 -0.217 0.000 0.999 341 V HN 1.205 9.150 8.190 -0.199 0.125 0.424 342 K N 4.073 123.632 120.400 -1.402 0.000 2.156 342 K HA 0.936 nan 4.320 nan 0.000 0.250 342 K C -1.193 175.096 176.600 -0.519 0.000 0.955 342 K CA -1.107 54.539 56.287 -1.069 0.000 0.855 342 K CB 1.993 33.453 32.500 -1.733 0.000 1.101 342 K HN 0.184 6.745 8.250 -2.815 0.000 0.434 343 L N -4.717 116.448 121.223 -0.097 0.000 2.409 343 L HA 0.687 nan 4.340 nan 0.000 0.272 343 L C -0.760 176.294 176.870 0.307 0.000 0.980 343 L CA -2.326 52.598 54.840 0.140 0.000 0.826 343 L CB 1.944 44.020 42.059 0.028 0.000 1.268 343 L HN 0.080 8.258 8.230 -0.087 0.000 0.407 344 C N 5.165 124.718 119.300 0.421 0.000 2.651 344 C HA 0.112 nan 4.460 nan 0.000 0.410 344 C C 1.004 176.041 174.990 0.077 0.000 1.372 344 C CA 0.855 60.000 59.018 0.211 0.000 1.707 344 C CB -0.570 27.302 27.740 0.219 0.000 2.501 344 C HN 0.603 9.103 8.230 0.451 0.000 0.598 345 V N 3.381 123.297 119.914 0.003 0.000 3.379 345 V HA 0.463 nan 4.120 nan 0.000 0.249 345 V C -1.571 174.472 176.094 -0.085 0.000 1.184 345 V CA -0.021 62.261 62.300 -0.031 0.000 1.106 345 V CB 1.217 33.032 31.823 -0.014 0.000 0.826 345 V HN 0.908 9.080 8.190 -0.031 0.000 0.465 346 A N -1.894 120.873 122.820 -0.088 0.000 2.602 346 A HA 0.721 nan 4.320 nan 0.000 0.290 346 A C -3.011 174.584 177.584 0.019 0.000 1.114 346 A CA -0.179 51.794 52.037 -0.106 0.000 0.683 346 A CB 2.632 21.599 19.000 -0.054 0.000 1.281 346 A HN -0.683 7.425 8.150 -0.069 0.000 0.416 347 Y N -2.342 117.922 120.300 -0.060 0.000 2.446 347 Y HA 0.789 nan 4.550 nan 0.000 0.338 347 Y C -1.612 174.252 175.900 -0.059 0.000 1.055 347 Y CA -3.146 54.915 58.100 -0.065 0.000 1.101 347 Y CB 3.741 42.152 38.460 -0.082 0.000 1.221 347 Y HN 1.183 9.325 8.280 -0.019 0.127 0.460 348 R N 2.875 123.440 120.500 0.107 0.000 2.310 348 R HA 0.659 nan 4.340 nan 0.000 0.324 348 R C -1.319 174.990 176.300 0.015 0.000 0.955 348 R CA -1.946 54.178 56.100 0.041 0.000 0.830 348 R CB 1.273 31.584 30.300 0.019 0.000 1.154 348 R HN 1.165 9.370 8.270 0.088 0.118 0.458 349 M N 6.816 126.423 119.600 0.012 0.000 2.247 349 M HA 0.401 nan 4.480 nan 0.000 0.326 349 M C -0.832 175.463 176.300 -0.008 0.000 1.134 349 M CA -2.792 52.502 55.300 -0.010 0.000 1.136 349 M CB -1.112 31.482 32.600 -0.009 0.000 1.454 349 M HN 1.037 9.229 8.290 0.019 0.110 0.467 350 P HA -0.171 nan 4.420 nan 0.000 0.229 350 P C -1.550 175.750 177.300 0.000 0.000 1.150 350 P CA 1.936 65.034 63.100 -0.003 0.000 0.765 350 P CB -0.567 31.133 31.700 0.000 0.000 0.783 351 D N -3.797 116.602 120.400 -0.001 0.000 2.501 351 D HA -0.031 nan 4.640 nan 0.000 0.226 351 D C 1.182 177.483 176.300 0.002 0.000 1.198 351 D CA -1.499 52.502 54.000 0.001 0.000 0.830 351 D CB -1.318 39.483 40.800 0.001 0.000 1.014 351 D HN -0.669 7.620 8.370 -0.003 0.079 0.496 352 G N 0.586 109.387 108.800 0.003 0.000 2.205 352 G HA2 -0.455 nan 3.960 nan 0.000 0.261 352 G HA3 -0.455 nan 3.960 nan 0.000 0.261 352 G C -0.425 174.477 174.900 0.004 0.000 0.980 352 G CA 0.341 45.443 45.100 0.004 0.000 0.632 352 G HN 0.134 8.366 8.290 0.002 0.060 0.533 353 R N 1.589 122.091 120.500 0.003 0.000 2.490 353 R HA 0.028 nan 4.340 nan 0.000 0.280 353 R C -1.648 174.657 176.300 0.008 0.000 1.077 353 R CA -0.221 55.880 56.100 0.003 0.000 1.065 353 R CB 1.431 31.731 30.300 -0.000 0.000 1.003 353 R HN -0.200 8.294 8.270 0.002 -0.223 0.470 354 E N 4.184 124.387 120.200 0.006 0.000 2.197 354 E HA 0.533 nan 4.350 nan 0.000 0.281 354 E C -1.716 174.885 176.600 0.002 0.000 0.995 354 E CA -0.745 55.660 56.400 0.009 0.000 0.808 354 E CB 1.804 31.505 29.700 0.002 0.000 1.093 354 E HN 0.120 8.481 8.360 0.001 0.000 0.394 355 V N 6.003 125.921 119.914 0.008 0.000 3.049 355 V HA 0.374 nan 4.120 nan 0.000 0.309 355 V C -1.240 174.805 176.094 -0.081 0.000 1.148 355 V CA -1.165 61.123 62.300 -0.021 0.000 0.990 355 V CB 4.519 36.339 31.823 -0.005 0.000 1.039 355 V HN 1.063 9.158 8.190 0.035 0.115 0.430 356 T N 1.573 116.061 114.554 -0.110 0.000 3.215 356 T HA 0.225 nan 4.350 nan 0.000 0.271 356 T C -1.349 173.235 174.700 -0.194 0.000 1.012 356 T CA -0.489 61.509 62.100 -0.169 0.000 0.899 356 T CB 0.411 69.213 68.868 -0.110 0.000 1.089 356 T HN 0.267 8.459 8.240 -0.079 0.000 0.552 357 T N 3.213 117.660 114.554 -0.178 0.000 2.886 357 T HA 0.262 nan 4.350 nan 0.000 0.292 357 T C -0.499 174.124 174.700 -0.128 0.000 1.012 357 T CA -0.091 61.927 62.100 -0.137 0.000 0.982 357 T CB 2.680 71.504 68.868 -0.073 0.000 1.018 357 T HN -0.450 7.634 8.240 -0.146 0.068 0.451 358 T N 3.176 117.673 114.554 -0.096 0.000 2.907 358 T HA 0.444 nan 4.350 nan 0.000 0.298 358 T C -1.744 172.855 174.700 -0.168 0.000 1.017 358 T CA -3.022 59.038 62.100 -0.066 0.000 1.118 358 T CB -0.032 68.925 68.868 0.149 0.000 0.948 358 T HN 0.144 8.341 8.240 -0.071 0.000 0.531 359 P HA 0.052 nan 4.420 nan 0.000 0.273 359 P C -0.563 176.714 177.300 -0.038 0.000 1.250 359 P CA -0.637 62.232 63.100 -0.385 0.000 0.793 359 P CB 0.752 32.001 31.700 -0.751 0.000 1.011 360 L N -0.816 120.488 121.223 0.136 0.000 2.292 360 L HA 0.092 nan 4.340 nan 0.000 0.196 360 L C 0.721 177.870 176.870 0.466 0.000 1.246 360 L CA 1.133 56.152 54.840 0.299 0.000 0.864 360 L CB -0.014 42.148 42.059 0.172 0.000 1.044 360 L HN 0.149 8.417 8.230 0.064 0.000 0.504 361 A N -2.390 120.630 122.820 0.334 0.000 2.507 361 A HA -0.143 nan 4.320 nan 0.000 0.235 361 A C 0.988 178.885 177.584 0.522 0.000 1.070 361 A CA 0.235 52.498 52.037 0.377 0.000 0.768 361 A CB 0.143 19.313 19.000 0.283 0.000 1.011 361 A HN -0.188 8.100 8.150 0.229 0.000 0.502 362 A N 2.417 125.497 122.820 0.433 0.000 1.917 362 A HA -0.374 nan 4.320 nan 0.000 0.219 362 A C 2.294 180.131 177.584 0.422 0.000 1.182 362 A CA 3.241 55.521 52.037 0.404 0.000 0.633 362 A CB -0.359 18.850 19.000 0.349 0.000 0.819 362 A HN 0.899 9.163 8.150 0.364 0.104 0.448 363 D N -2.598 117.991 120.400 0.315 0.000 2.218 363 D HA -0.237 nan 4.640 nan 0.000 0.204 363 D C 1.966 178.395 176.300 0.215 0.000 0.976 363 D CA 2.837 56.976 54.000 0.230 0.000 0.853 363 D CB -0.631 40.274 40.800 0.173 0.000 0.939 363 D HN 0.342 8.892 8.370 0.300 0.000 0.481 364 D N -0.661 119.884 120.400 0.242 0.000 2.363 364 D HA -0.091 nan 4.640 nan 0.000 0.226 364 D C 0.483 176.811 176.300 0.046 0.000 1.020 364 D CA 1.319 55.391 54.000 0.120 0.000 0.892 364 D CB -0.667 40.177 40.800 0.074 0.000 0.900 364 D HN -0.267 8.152 8.370 0.312 0.138 0.531 365 W N -2.217 119.122 121.300 0.066 0.000 3.211 365 W HA 0.114 nan 4.660 nan 0.000 0.292 365 W C -0.072 176.447 176.519 0.000 0.000 1.268 365 W CA 0.021 57.384 57.345 0.031 0.000 1.702 365 W CB 0.311 29.807 29.460 0.060 0.000 1.092 365 W HN -0.169 8.131 8.180 0.525 0.195 0.643 366 K N -0.866 119.656 120.400 0.202 0.000 2.015 366 K HA -0.355 nan 4.320 nan 0.000 0.220 366 K C 1.744 178.384 176.600 0.066 0.000 1.055 366 K CA 2.447 58.806 56.287 0.120 0.000 0.951 366 K CB -0.398 32.159 32.500 0.095 0.000 0.725 366 K HN -0.687 7.533 8.250 0.213 0.158 0.449 367 G N -2.121 106.699 108.800 0.033 0.000 2.453 367 G HA2 -0.258 nan 3.960 nan 0.000 0.215 367 G HA3 -0.258 nan 3.960 nan 0.000 0.215 367 G C -0.404 174.490 174.900 -0.010 0.000 1.201 367 G CA 0.446 45.552 45.100 0.009 0.000 0.784 367 G HN 0.058 8.366 8.290 0.031 0.000 0.545 368 V N 2.304 122.185 119.914 -0.054 0.000 3.182 368 V HA -0.381 nan 4.120 nan 0.000 0.271 368 V C -0.180 175.847 176.094 -0.110 0.000 1.563 368 V CA 0.669 62.885 62.300 -0.141 0.000 1.521 368 V CB -0.750 30.884 31.823 -0.314 0.000 0.820 368 V HN -0.014 8.142 8.190 -0.057 0.000 0.434 369 E N 7.767 127.911 120.200 -0.094 0.000 2.234 369 E HA 0.557 nan 4.350 nan 0.000 0.266 369 E C -2.503 174.070 176.600 -0.044 0.000 0.877 369 E CA -3.458 52.916 56.400 -0.042 0.000 0.758 369 E CB 2.891 32.587 29.700 -0.006 0.000 1.170 369 E HN 0.488 8.691 8.360 -0.078 0.110 0.415 370 P HA 0.502 nan 4.420 nan 0.000 0.285 370 P C -1.183 175.907 177.300 -0.350 0.000 1.259 370 P CA -0.591 62.410 63.100 -0.166 0.000 0.794 370 P CB 0.703 32.221 31.700 -0.303 0.000 0.940 371 I N 3.460 123.863 120.570 -0.277 0.000 2.377 371 I HA 0.208 nan 4.170 nan 0.000 0.293 371 I C -1.306 174.638 176.117 -0.288 0.000 0.987 371 I CA -0.691 60.486 61.300 -0.205 0.000 1.185 371 I CB 2.360 40.325 38.000 -0.058 0.000 1.341 371 I HN 0.585 8.717 8.210 -0.129 0.000 0.455 372 Y N 3.952 124.268 120.300 0.025 0.000 2.659 372 Y HA 0.440 nan 4.550 nan 0.000 0.333 372 Y C -0.583 175.288 175.900 -0.047 0.000 1.064 372 Y CA -2.045 56.040 58.100 -0.025 0.000 1.141 372 Y CB 2.704 41.110 38.460 -0.090 0.000 1.316 372 Y HN 0.080 8.413 8.280 0.089 0.000 0.509 373 E N -1.322 118.959 120.200 0.134 0.000 2.224 373 E HA 0.365 nan 4.350 nan 0.000 0.265 373 E C -1.504 175.071 176.600 -0.041 0.000 0.878 373 E CA -1.065 55.355 56.400 0.034 0.000 0.759 373 E CB 2.897 32.609 29.700 0.020 0.000 1.164 373 E HN 0.150 8.609 8.360 0.164 0.000 0.414 374 T N 6.754 121.264 114.554 -0.073 0.000 2.853 374 T HA 0.417 nan 4.350 nan 0.000 0.317 374 T C -0.673 173.973 174.700 -0.090 0.000 1.059 374 T CA -0.316 61.688 62.100 -0.161 0.000 0.954 374 T CB -0.064 68.702 68.868 -0.169 0.000 0.994 374 T HN 0.271 8.489 8.240 -0.037 0.000 0.479 375 M N 6.606 126.168 119.600 -0.062 0.000 2.283 375 M HA 0.488 nan 4.480 nan 0.000 0.314 375 M C -2.001 174.298 176.300 -0.002 0.000 1.153 375 M CA -2.281 53.032 55.300 0.023 0.000 1.084 375 M CB 0.310 32.998 32.600 0.146 0.000 1.468 375 M HN 0.953 9.089 8.290 -0.099 0.095 0.474 376 P HA 0.202 nan 4.420 nan 0.000 0.278 376 P C -0.598 176.726 177.300 0.039 0.000 1.238 376 P CA -0.879 62.235 63.100 0.023 0.000 0.794 376 P CB 0.622 32.355 31.700 0.054 0.000 0.955 377 G N -0.577 108.177 108.800 -0.078 0.000 2.504 377 G HA2 0.338 nan 3.960 nan 0.000 0.257 377 G HA3 0.338 nan 3.960 nan 0.000 0.257 377 G C -1.543 173.364 174.900 0.011 0.000 1.451 377 G CA -0.503 44.438 45.100 -0.266 0.000 1.059 377 G HN 0.455 8.574 8.290 -0.092 0.116 0.550 378 W N -4.230 117.049 121.300 -0.035 0.000 3.573 378 W HA 0.386 nan 4.660 nan 0.000 0.306 378 W C -0.030 176.490 176.519 0.002 0.000 1.227 378 W CA -0.845 56.493 57.345 -0.013 0.000 1.212 378 W CB 0.811 30.267 29.460 -0.006 0.000 1.331 378 W HN -0.509 7.234 8.180 -0.728 0.000 0.524 379 S N 1.561 117.383 115.700 0.203 0.000 2.387 379 S HA -0.251 nan 4.470 nan 0.000 0.226 379 S C 0.126 174.845 174.600 0.199 0.000 1.026 379 S CA 1.931 60.211 58.200 0.133 0.000 0.972 379 S CB -0.163 63.090 63.200 0.089 0.000 0.814 379 S HN 0.207 8.632 8.310 0.192 0.000 0.477 380 E N 2.679 123.034 120.200 0.258 0.000 2.467 380 E HA -0.104 nan 4.350 nan 0.000 0.264 380 E C -1.157 175.616 176.600 0.289 0.000 1.020 380 E CA 0.390 56.920 56.400 0.217 0.000 0.945 380 E CB 0.514 30.299 29.700 0.143 0.000 0.942 380 E HN -0.371 8.152 8.360 0.271 0.000 0.449 381 S N 0.819 116.639 115.700 0.200 0.000 2.489 381 S HA 0.044 nan 4.470 nan 0.000 0.277 381 S C 0.266 174.990 174.600 0.206 0.000 1.230 381 S CA -0.126 58.205 58.200 0.219 0.000 1.053 381 S CB 0.474 63.775 63.200 0.168 0.000 0.955 381 S HN -0.183 8.217 8.310 0.150 0.000 0.488 382 T N 3.901 118.609 114.554 0.256 0.000 3.022 382 T HA 0.213 nan 4.350 nan 0.000 0.250 382 T C 0.048 174.852 174.700 0.173 0.000 1.060 382 T CA -0.976 61.221 62.100 0.162 0.000 1.013 382 T CB 0.442 69.392 68.868 0.136 0.000 0.982 382 T HN 1.114 10.066 8.240 0.337 -0.509 0.508 383 F N 3.752 123.764 119.950 0.103 0.000 2.623 383 F HA -0.584 nan 4.527 nan 0.000 0.386 383 F C 0.757 176.592 175.800 0.058 0.000 1.068 383 F CA 1.852 59.900 58.000 0.081 0.000 1.265 383 F CB 0.141 39.187 39.000 0.075 0.000 1.026 383 F HN -0.774 7.847 8.300 0.403 -0.079 0.568 384 G N 6.482 114.789 108.800 -0.822 0.000 2.228 384 G HA2 -0.397 nan 3.960 nan 0.000 0.270 384 G HA3 -0.397 nan 3.960 nan 0.000 0.270 384 G C -0.425 174.365 174.900 -0.183 0.000 0.976 384 G CA 0.402 45.176 45.100 -0.544 0.000 0.636 384 G HN 0.879 8.433 8.290 -1.011 0.130 0.542 385 V N 1.607 121.466 119.914 -0.092 0.000 2.788 385 V HA -0.250 nan 4.120 nan 0.000 0.307 385 V C 0.445 176.506 176.094 -0.055 0.000 1.069 385 V CA 1.688 63.965 62.300 -0.039 0.000 1.173 385 V CB 0.135 31.948 31.823 -0.017 0.000 0.925 385 V HN -0.346 7.723 8.190 -0.078 0.074 0.492 386 K N 2.415 122.793 120.400 -0.036 0.000 2.501 386 K HA 0.245 nan 4.320 nan 0.000 0.204 386 K C -2.150 174.437 176.600 -0.021 0.000 1.067 386 K CA -0.265 56.003 56.287 -0.032 0.000 1.060 386 K CB 1.451 33.933 32.500 -0.030 0.000 0.873 386 K HN 0.171 8.406 8.250 -0.025 0.000 0.540 387 D N -0.879 119.509 120.400 -0.020 0.000 2.934 387 D HA 0.198 nan 4.640 nan 0.000 0.230 387 D C 0.139 176.425 176.300 -0.024 0.000 1.204 387 D CA -1.001 52.989 54.000 -0.017 0.000 0.873 387 D CB 2.269 43.062 40.800 -0.012 0.000 1.645 387 D HN -0.508 7.848 8.370 -0.023 0.000 0.502 388 R N 3.689 124.175 120.500 -0.024 0.000 2.105 388 R HA -0.302 nan 4.340 nan 0.000 0.239 388 R C 1.584 177.861 176.300 -0.039 0.000 1.135 388 R CA 3.635 59.714 56.100 -0.034 0.000 0.967 388 R CB -0.100 30.185 30.300 -0.024 0.000 0.861 388 R HN 0.526 8.786 8.270 -0.017 0.000 0.442 389 S N -0.761 114.923 115.700 -0.026 0.000 2.440 389 S HA -0.235 nan 4.470 nan 0.000 0.240 389 S C 1.142 175.725 174.600 -0.029 0.000 1.014 389 S CA 2.278 60.464 58.200 -0.023 0.000 0.980 389 S CB -0.690 62.502 63.200 -0.013 0.000 0.775 389 S HN 0.249 8.542 8.310 -0.019 0.006 0.499 390 G N -0.208 108.573 108.800 -0.031 0.000 2.985 390 G HA2 -0.027 nan 3.960 nan 0.000 0.209 390 G HA3 -0.027 nan 3.960 nan 0.000 0.209 390 G C -1.033 173.832 174.900 -0.058 0.000 1.165 390 G CA -0.140 44.942 45.100 -0.030 0.000 0.776 390 G HN -0.307 7.800 8.290 -0.029 0.165 0.541 391 L N 1.973 123.143 121.223 -0.088 0.000 2.282 391 L HA 0.319 nan 4.340 nan 0.000 0.288 391 L C -1.739 175.022 176.870 -0.182 0.000 1.033 391 L CA -2.739 52.002 54.840 -0.166 0.000 0.807 391 L CB 0.920 42.875 42.059 -0.174 0.000 1.209 391 L HN 0.220 8.205 8.230 -0.074 0.200 0.423 392 P HA 0.044 nan 4.420 nan 0.000 0.269 392 P C 0.189 177.378 177.300 -0.184 0.000 1.215 392 P CA -0.585 62.410 63.100 -0.175 0.000 0.780 392 P CB 0.960 32.561 31.700 -0.165 0.000 0.898 393 Q N 2.893 122.642 119.800 -0.085 0.000 2.181 393 Q HA -0.419 nan 4.340 nan 0.000 0.205 393 Q C 1.813 177.789 176.000 -0.040 0.000 0.980 393 Q CA 3.512 59.283 55.803 -0.053 0.000 0.862 393 Q CB -0.602 28.129 28.738 -0.012 0.000 0.905 393 Q HN 0.651 8.890 8.270 -0.051 0.000 0.429 394 A N -0.889 121.924 122.820 -0.012 0.000 1.849 394 A HA -0.305 nan 4.320 nan 0.000 0.217 394 A C 1.710 179.298 177.584 0.006 0.000 1.202 394 A CA 3.125 55.228 52.037 0.111 0.000 0.629 394 A CB -1.336 17.868 19.000 0.341 0.000 0.834 394 A HN 0.316 8.448 8.150 -0.005 0.015 0.447 395 A N -1.565 120.953 122.820 -0.504 0.000 1.927 395 A HA -0.302 nan 4.320 nan 0.000 0.220 395 A C 2.506 179.954 177.584 -0.227 0.000 1.185 395 A CA 2.861 54.368 52.037 -0.884 0.000 0.639 395 A CB -1.094 17.042 19.000 -1.439 0.000 0.820 395 A HN -0.219 7.544 8.150 -0.645 0.000 0.451 396 L N -2.945 118.181 121.223 -0.161 0.000 2.017 396 L HA -0.573 nan 4.340 nan 0.000 0.208 396 L C 2.106 178.993 176.870 0.028 0.000 1.073 396 L CA 3.339 58.149 54.840 -0.050 0.000 0.745 396 L CB -0.632 41.397 42.059 -0.051 0.000 0.894 396 L HN -0.300 7.719 8.230 -0.219 0.080 0.432 397 N N -0.279 118.452 118.700 0.052 0.000 2.069 397 N HA -0.435 nan 4.740 nan 0.000 0.191 397 N C 1.967 177.562 175.510 0.141 0.000 1.031 397 N CA 3.514 56.614 53.050 0.083 0.000 0.852 397 N CB -0.209 38.330 38.487 0.087 0.000 1.018 397 N HN 0.215 8.612 8.380 0.028 0.000 0.423 398 Y N 1.569 121.910 120.300 0.068 0.000 2.081 398 Y HA -0.496 nan 4.550 nan 0.000 0.280 398 Y C 1.606 177.547 175.900 0.068 0.000 1.163 398 Y CA 4.075 62.242 58.100 0.112 0.000 1.135 398 Y CB 0.057 38.664 38.460 0.244 0.000 0.970 398 Y HN 0.070 8.531 8.280 0.302 0.000 0.498 399 I N -1.688 118.987 120.570 0.175 0.000 2.099 399 I HA -0.728 nan 4.170 nan 0.000 0.239 399 I C 1.796 177.911 176.117 -0.004 0.000 1.066 399 I CA 4.173 65.507 61.300 0.056 0.000 1.324 399 I CB -0.286 37.757 38.000 0.071 0.000 1.037 399 I HN -0.158 8.206 8.210 0.257 0.000 0.401 400 K N -0.604 119.808 120.400 0.018 0.000 2.044 400 K HA -0.391 nan 4.320 nan 0.000 0.210 400 K C 2.011 178.606 176.600 -0.009 0.000 1.049 400 K CA 2.522 58.816 56.287 0.011 0.000 0.927 400 K CB -0.632 31.879 32.500 0.018 0.000 0.713 400 K HN 0.143 8.415 8.250 0.038 0.000 0.443 401 R N -1.060 119.425 120.500 -0.024 0.000 2.091 401 R HA -0.272 nan 4.340 nan 0.000 0.238 401 R C 2.479 178.729 176.300 -0.083 0.000 1.136 401 R CA 2.666 58.738 56.100 -0.046 0.000 0.959 401 R CB -0.844 29.426 30.300 -0.051 0.000 0.856 401 R HN 0.196 8.352 8.270 -0.004 0.112 0.437 402 I N -1.179 119.302 120.570 -0.149 0.000 2.163 402 I HA -0.597 nan 4.170 nan 0.000 0.243 402 I C 2.335 178.419 176.117 -0.055 0.000 1.085 402 I CA 4.027 65.225 61.300 -0.169 0.000 1.347 402 I CB -0.546 37.296 38.000 -0.264 0.000 1.044 402 I HN -0.062 7.966 8.210 -0.179 0.074 0.408 403 E N -0.416 119.783 120.200 -0.002 0.000 2.058 403 E HA -0.437 nan 4.350 nan 0.000 0.194 403 E C 2.302 178.929 176.600 0.045 0.000 0.997 403 E CA 3.616 60.057 56.400 0.069 0.000 0.801 403 E CB -0.467 29.271 29.700 0.063 0.000 0.746 403 E HN -0.180 8.166 8.360 -0.023 0.000 0.450 404 E N 0.044 120.252 120.200 0.013 0.000 2.049 404 E HA -0.324 nan 4.350 nan 0.000 0.198 404 E C 2.575 179.177 176.600 0.003 0.000 1.007 404 E CA 2.812 59.215 56.400 0.005 0.000 0.809 404 E CB -0.198 29.500 29.700 -0.004 0.000 0.749 404 E HN -0.223 8.139 8.360 0.003 0.000 0.450 405 L N -4.259 116.960 121.223 -0.007 0.000 2.353 405 L HA -0.187 nan 4.340 nan 0.000 0.220 405 L C 1.026 177.902 176.870 0.011 0.000 1.133 405 L CA 2.132 56.966 54.840 -0.010 0.000 0.798 405 L CB -0.014 42.027 42.059 -0.030 0.000 0.922 405 L HN 0.043 8.262 8.230 -0.019 0.000 0.445 406 T N -7.301 107.284 114.554 0.051 0.000 2.987 406 T HA 0.267 nan 4.350 nan 0.000 0.248 406 T C 1.463 176.203 174.700 0.066 0.000 0.997 406 T CA 0.265 62.426 62.100 0.102 0.000 1.013 406 T CB 1.543 70.581 68.868 0.283 0.000 1.077 406 T HN -0.199 7.901 8.240 0.055 0.173 0.483 407 G N 2.124 110.954 108.800 0.051 0.000 2.141 407 G HA2 -0.349 nan 3.960 nan 0.000 0.242 407 G HA3 -0.349 nan 3.960 nan 0.000 0.242 407 G C -1.172 173.714 174.900 -0.025 0.000 0.982 407 G CA 0.292 45.395 45.100 0.004 0.000 0.662 407 G HN 0.377 8.591 8.290 0.065 0.115 0.527 408 V N 1.557 121.482 119.914 0.019 0.000 2.531 408 V HA 0.354 nan 4.120 nan 0.000 0.301 408 V C -2.515 173.622 176.094 0.070 0.000 1.034 408 V CA -2.979 59.258 62.300 -0.105 0.000 0.865 408 V CB 2.941 34.436 31.823 -0.547 0.000 0.995 408 V HN -0.384 7.851 8.190 0.139 0.038 0.424 409 P HA 0.192 nan 4.420 nan 0.000 0.278 409 P C -1.156 176.239 177.300 0.158 0.000 1.238 409 P CA -1.222 61.931 63.100 0.088 0.000 0.794 409 P CB 1.170 32.894 31.700 0.041 0.000 0.955 410 I N 2.894 123.570 120.570 0.176 0.000 2.308 410 I HA -0.216 nan 4.170 nan 0.000 0.293 410 I C -0.315 175.875 176.117 0.121 0.000 1.078 410 I CA 0.578 61.991 61.300 0.189 0.000 1.292 410 I CB -0.240 37.844 38.000 0.140 0.000 1.423 410 I HN 0.565 9.300 8.210 0.138 -0.442 0.493 411 D N 8.262 128.738 120.400 0.126 0.000 2.271 411 D HA 0.135 nan 4.640 nan 0.000 0.206 411 D C -1.035 175.298 176.300 0.054 0.000 0.967 411 D CA 2.264 56.316 54.000 0.087 0.000 0.867 411 D CB 1.323 42.190 40.800 0.112 0.000 0.960 411 D HN 0.296 8.763 8.370 0.161 0.000 0.509 412 I N -3.626 116.983 120.570 0.065 0.000 2.865 412 I HA 0.620 nan 4.170 nan 0.000 0.302 412 I C -2.137 174.011 176.117 0.051 0.000 1.140 412 I CA -0.755 60.569 61.300 0.040 0.000 1.021 412 I CB 4.837 42.851 38.000 0.023 0.000 1.233 412 I HN -0.789 7.479 8.210 0.096 0.000 0.427 413 I N 1.758 122.348 120.570 0.035 0.000 2.571 413 I HA 0.468 nan 4.170 nan 0.000 0.289 413 I C -2.096 174.034 176.117 0.023 0.000 1.115 413 I CA -0.910 60.413 61.300 0.039 0.000 1.045 413 I CB 3.754 41.775 38.000 0.035 0.000 1.238 413 I HN 0.632 8.855 8.210 0.022 0.000 0.424 414 S N 5.163 120.882 115.700 0.031 0.000 2.437 414 S HA 0.649 nan 4.470 nan 0.000 0.305 414 S C -0.305 174.305 174.600 0.016 0.000 1.109 414 S CA -2.008 56.200 58.200 0.013 0.000 1.099 414 S CB 1.700 64.912 63.200 0.020 0.000 1.004 414 S HN 0.809 9.149 8.310 0.050 0.000 0.475 415 T N 2.019 116.547 114.554 -0.043 0.000 3.296 415 T HA 0.543 nan 4.350 nan 0.000 0.285 415 T C -1.172 173.383 174.700 -0.242 0.000 1.014 415 T CA -2.176 59.881 62.100 -0.072 0.000 0.920 415 T CB 0.289 69.101 68.868 -0.093 0.000 1.143 415 T HN 0.220 8.414 8.240 -0.076 0.000 0.522 416 G N 0.470 109.169 108.800 -0.169 0.000 2.361 416 G HA2 0.223 nan 3.960 nan 0.000 0.299 416 G HA3 0.223 nan 3.960 nan 0.000 0.299 416 G C -2.783 172.097 174.900 -0.033 0.000 1.544 416 G CA 0.361 45.334 45.100 -0.212 0.000 0.860 416 G HN -0.784 7.461 8.290 -0.075 0.000 0.610 417 P HA -0.140 nan 4.420 nan 0.000 0.221 417 P C -1.071 176.255 177.300 0.043 0.000 1.150 417 P CA 0.949 64.094 63.100 0.075 0.000 0.800 417 P CB 0.575 32.345 31.700 0.117 0.000 0.787 418 D N -0.314 120.102 120.400 0.025 0.000 2.350 418 D HA -0.040 nan 4.640 nan 0.000 0.249 418 D C 1.288 177.585 176.300 -0.005 0.000 1.119 418 D CA 0.068 54.077 54.000 0.016 0.000 0.886 418 D CB 1.985 42.797 40.800 0.020 0.000 1.195 418 D HN -0.406 8.306 8.370 0.012 -0.335 0.437 419 R N 6.998 127.501 120.500 0.006 0.000 2.159 419 R HA -0.497 nan 4.340 nan 0.000 0.252 419 R C 1.782 178.077 176.300 -0.010 0.000 1.144 419 R CA 3.855 59.956 56.100 0.002 0.000 0.961 419 R CB -0.001 30.304 30.300 0.009 0.000 0.877 419 R HN 0.549 8.828 8.270 0.015 0.000 0.444 420 T N -5.858 108.688 114.554 -0.014 0.000 3.055 420 T HA 0.023 nan 4.350 nan 0.000 0.265 420 T C 1.444 176.116 174.700 -0.047 0.000 1.111 420 T CA 1.839 63.926 62.100 -0.021 0.000 1.118 420 T CB -0.637 68.224 68.868 -0.011 0.000 0.909 420 T HN -0.507 7.924 8.240 -0.008 -0.196 0.501 421 E N 3.242 123.394 120.200 -0.080 0.000 2.053 421 E HA -0.017 nan 4.350 nan 0.000 0.297 421 E C -1.623 174.914 176.600 -0.105 0.000 1.173 421 E CA 0.072 56.385 56.400 -0.146 0.000 1.219 421 E CB -1.575 27.954 29.700 -0.285 0.000 1.103 421 E HN -0.196 8.011 8.360 -0.070 0.111 0.476 422 T N 1.210 115.726 114.554 -0.064 0.000 2.885 422 T HA 0.601 nan 4.350 nan 0.000 0.322 422 T C -1.463 173.222 174.700 -0.025 0.000 1.387 422 T CA -0.541 61.536 62.100 -0.038 0.000 1.041 422 T CB 3.096 71.951 68.868 -0.022 0.000 1.287 422 T HN 0.206 8.373 8.240 -0.057 0.038 0.491 423 M N 1.295 120.886 119.600 -0.014 0.000 2.151 423 M HA 0.561 nan 4.480 nan 0.000 0.290 423 M C -1.728 174.572 176.300 -0.000 0.000 0.965 423 M CA -0.700 54.595 55.300 -0.008 0.000 0.930 423 M CB 3.019 35.613 32.600 -0.010 0.000 1.560 423 M HN 0.931 9.215 8.290 -0.010 0.000 0.438 424 I N 4.573 125.142 120.570 -0.001 0.000 2.291 424 I HA 0.079 nan 4.170 nan 0.000 0.290 424 I C -0.246 175.872 176.117 0.001 0.000 1.050 424 I CA -0.021 61.277 61.300 -0.002 0.000 1.245 424 I CB -0.061 37.935 38.000 -0.006 0.000 1.405 424 I HN 0.478 8.687 8.210 -0.002 0.000 0.478 425 L N 8.197 129.424 121.223 0.007 0.000 2.341 425 L HA -0.054 nan 4.340 nan 0.000 0.214 425 L C -0.108 176.766 176.870 0.007 0.000 1.115 425 L CA 1.680 56.526 54.840 0.010 0.000 0.820 425 L CB 0.496 42.567 42.059 0.019 0.000 0.944 425 L HN 0.900 9.036 8.230 0.011 0.101 0.452 426 R N -2.304 118.194 120.500 -0.003 0.000 2.522 426 R HA 0.143 nan 4.340 nan 0.000 0.273 426 R C -2.242 174.014 176.300 -0.074 0.000 1.133 426 R CA -0.933 55.155 56.100 -0.020 0.000 0.969 426 R CB 2.895 33.196 30.300 0.002 0.000 1.235 426 R HN -0.698 7.552 8.270 -0.006 0.017 0.433 427 D N 6.536 126.886 120.400 -0.083 0.000 2.295 427 D HA 0.354 nan 4.640 nan 0.000 0.248 427 D C -0.344 175.781 176.300 -0.293 0.000 1.154 427 D CA -2.995 50.925 54.000 -0.133 0.000 0.857 427 D CB 1.244 42.036 40.800 -0.014 0.000 1.117 427 D HN 0.088 8.557 8.370 -0.045 -0.127 0.468 428 P HA -0.229 nan 4.420 nan 0.000 0.219 428 P C 0.884 177.769 177.300 -0.691 0.000 1.144 428 P CA 2.025 64.457 63.100 -1.113 0.000 0.806 428 P CB 0.156 31.092 31.700 -1.274 0.000 0.771 429 F N -3.103 116.600 119.950 -0.412 0.000 2.367 429 F HA -0.159 nan 4.527 nan 0.000 0.298 429 F C 0.724 176.351 175.800 -0.288 0.000 1.094 429 F CA 2.054 59.776 58.000 -0.463 0.000 1.409 429 F CB -0.177 38.488 39.000 -0.559 0.000 1.064 429 F HN 0.430 8.911 8.300 -0.361 -0.397 0.528 430 D N -1.656 118.746 120.400 0.004 0.000 2.519 430 D HA 0.063 nan 4.640 nan 0.000 0.238 430 D C -1.729 174.579 176.300 0.013 0.000 1.192 430 D CA 0.434 54.454 54.000 0.032 0.000 0.835 430 D CB -1.545 39.277 40.800 0.037 0.000 0.975 430 D HN 0.064 8.277 8.370 -0.050 0.127 0.490 431 A N 0.000 122.820 122.820 -0.001 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.060 52.037 0.038 0.000 0.836 431 A CB 0.000 19.032 19.000 0.053 0.000 0.831 431 A HN 0.000 8.106 8.150 -0.032 0.024 0.486