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 3e79_1_A DATA FIRST_RESID 39 DATA SEQUENCE QGQWDKSITF GVSEAWLNKK KGGEKVNKEV INTFLENFKK EFNKLKNAND DATA SEQUENCE KTKNFDDVDF KVTPIQDFTV LLNNLSTDNP ELDFGINASG KLVEFLKNNP DATA SEQUENCE GIITPALETT TNSFVFDKEK DKFYVDGTDS DPLVKIAKEI NKIFVETPYA DATA SEQUENCE SWTDENHKWN GNVYQSVYDP TVQANFYRGM IWIKGNDETL AKIKKAWNDK DATA SEQUENCE DWNTFRNFGI LHGKDNSSSK FKLEETILKN HFQNKFTTLN EDRSAHPNAY DATA SEQUENCE KQKSADTLGT LDDFHIAFSE EGSFAWTHNK SATKPFETKA NEKMEALIVT DATA SEQUENCE NPIPYDVGVF RKSVNQLEQN LIVQTFINLA KNKQDTYGPL LGYNGYKKID DATA SEQUENCE NFQKEIVEVY EKAIK 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 39 Q HA 0.000 nan 4.340 nan 0.000 0.214 39 Q C 0.000 176.012 176.000 0.019 0.000 1.003 39 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 39 Q CB 0.000 28.773 28.738 0.059 0.000 1.108 40 G N 0.806 109.617 108.800 0.018 0.000 2.603 40 G HA2 -0.152 3.808 3.960 0.001 0.000 0.686 40 G HA3 -0.152 3.808 3.960 0.001 0.000 0.686 40 G C -1.278 173.628 174.900 0.010 0.000 1.286 40 G CA -0.487 44.611 45.100 -0.003 0.000 0.871 40 G HN 0.157 nan 8.290 nan 0.000 0.568 41 Q N -0.440 119.356 119.800 -0.007 0.000 2.241 41 Q HA 0.335 4.676 4.340 0.001 0.000 0.254 41 Q C 0.069 176.060 176.000 -0.015 0.000 0.917 41 Q CA -0.785 55.032 55.803 0.023 0.000 0.919 41 Q CB 2.112 30.865 28.738 0.025 0.000 1.237 41 Q HN 0.632 nan 8.270 nan 0.000 0.434 42 W N 3.653 124.838 121.300 -0.193 0.000 2.322 42 W HA -0.011 4.649 4.660 0.000 0.000 0.328 42 W C -0.743 175.686 176.519 -0.150 0.000 1.395 42 W CA 0.731 57.906 57.345 -0.282 0.000 1.267 42 W CB 0.725 29.912 29.460 -0.456 0.000 1.259 42 W HN 0.637 nan 8.180 nan 0.000 0.560 43 D N 5.561 125.653 120.400 -0.514 0.000 2.425 43 D HA 0.104 4.745 4.640 0.001 0.000 0.240 43 D C 0.865 176.937 176.300 -0.380 0.000 1.080 43 D CA -0.337 53.474 54.000 -0.317 0.000 0.836 43 D CB 1.242 41.870 40.800 -0.287 0.000 1.125 43 D HN 0.474 nan 8.370 nan 0.000 0.525 44 K N 1.085 121.405 120.400 -0.133 0.000 2.487 44 K HA 0.107 4.427 4.320 0.001 0.000 0.192 44 K C 0.421 176.885 176.600 -0.227 0.000 1.027 44 K CA -0.296 55.941 56.287 -0.084 0.000 1.054 44 K CB 0.358 32.910 32.500 0.087 0.000 0.824 44 K HN 0.085 nan 8.250 nan 0.000 0.510 45 S N 1.205 116.737 115.700 -0.280 0.000 2.605 45 S HA 0.452 4.923 4.470 0.001 0.000 0.308 45 S C -1.020 173.326 174.600 -0.424 0.000 1.113 45 S CA -0.925 57.071 58.200 -0.339 0.000 1.049 45 S CB 0.682 63.757 63.200 -0.208 0.000 1.001 45 S HN 0.176 nan 8.310 nan 0.000 0.480 46 I N 4.575 124.762 120.570 -0.638 0.000 2.382 46 I HA 0.327 4.497 4.170 0.001 0.000 0.286 46 I C -0.053 175.761 176.117 -0.505 0.000 1.002 46 I CA -0.293 60.658 61.300 -0.582 0.000 1.135 46 I CB 1.436 38.952 38.000 -0.806 0.000 1.288 46 I HN 0.558 nan 8.210 nan 0.000 0.448 47 T N 6.914 121.307 114.554 -0.269 0.000 2.772 47 T HA 0.479 4.829 4.350 0.001 0.000 0.288 47 T C -0.262 174.459 174.700 0.036 0.000 0.994 47 T CA -0.289 61.706 62.100 -0.175 0.000 0.951 47 T CB 0.386 69.205 68.868 -0.082 0.000 0.933 47 T HN 0.037 nan 8.240 nan 0.000 0.447 48 F N 2.245 122.222 119.950 0.046 0.000 2.420 48 F HA 0.504 5.031 4.527 0.001 0.000 0.352 48 F C 1.219 177.040 175.800 0.034 0.000 1.108 48 F CA -1.576 56.483 58.000 0.098 0.000 1.162 48 F CB 0.518 39.576 39.000 0.096 0.000 1.118 48 F HN 0.576 nan 8.300 nan 0.000 0.510 49 G N 2.795 111.714 108.800 0.198 0.000 2.339 49 G HA2 0.507 4.468 3.960 0.001 0.000 0.287 49 G HA3 0.507 4.468 3.960 0.001 0.000 0.287 49 G C -0.946 173.991 174.900 0.061 0.000 1.163 49 G CA -0.297 44.851 45.100 0.081 0.000 0.872 49 G HN 0.484 nan 8.290 nan 0.000 0.464 50 V N 1.347 121.304 119.914 0.071 0.000 3.001 50 V HA 0.519 4.640 4.120 0.001 0.000 0.314 50 V C 0.642 176.800 176.094 0.106 0.000 1.099 50 V CA -0.928 61.415 62.300 0.072 0.000 0.989 50 V CB 2.058 33.926 31.823 0.074 0.000 1.040 50 V HN 0.932 nan 8.190 nan 0.000 0.434 51 S N 1.164 116.934 115.700 0.117 0.000 2.546 51 S HA -0.011 4.459 4.470 0.001 0.000 0.290 51 S C 1.092 175.824 174.600 0.219 0.000 1.262 51 S CA 0.589 58.880 58.200 0.151 0.000 1.083 51 S CB 0.300 63.593 63.200 0.156 0.000 0.859 51 S HN 0.897 nan 8.310 nan 0.000 0.495 52 E N 4.474 124.760 120.200 0.144 0.000 2.058 52 E HA -0.161 4.189 4.350 0.001 0.000 0.194 52 E C 2.102 178.776 176.600 0.123 0.000 0.997 52 E CA 1.415 57.886 56.400 0.119 0.000 0.801 52 E CB -0.484 29.260 29.700 0.074 0.000 0.746 52 E HN 0.936 nan 8.360 nan 0.000 0.450 53 A N 0.214 123.111 122.820 0.128 0.000 1.972 53 A HA -0.185 4.136 4.320 0.001 0.000 0.219 53 A C 1.857 179.529 177.584 0.146 0.000 1.169 53 A CA 1.354 53.458 52.037 0.113 0.000 0.635 53 A CB -1.032 18.033 19.000 0.108 0.000 0.810 53 A HN 0.693 nan 8.150 nan 0.000 0.446 54 W N -0.119 121.200 121.300 0.031 0.000 2.407 54 W HA -0.049 4.611 4.660 0.001 0.000 0.305 54 W C 1.628 178.172 176.519 0.042 0.000 1.196 54 W CA 1.393 58.760 57.345 0.036 0.000 1.311 54 W CB -0.251 29.236 29.460 0.045 0.000 1.135 54 W HN 0.248 nan 8.180 nan 0.000 0.514 55 L N 1.752 123.099 121.223 0.206 0.000 2.046 55 L HA -0.219 4.121 4.340 0.001 0.000 0.208 55 L C 1.582 178.369 176.870 -0.137 0.000 1.077 55 L CA 1.948 56.794 54.840 0.011 0.000 0.747 55 L CB -1.040 41.127 42.059 0.180 0.000 0.896 55 L HN 0.013 nan 8.230 nan 0.000 0.432 56 N N -0.456 118.204 118.700 -0.068 0.000 2.398 56 N HA -0.044 4.696 4.740 0.001 0.000 0.188 56 N C 0.277 175.721 175.510 -0.110 0.000 1.122 56 N CA 0.114 53.120 53.050 -0.072 0.000 0.866 56 N CB -0.209 38.264 38.487 -0.024 0.000 0.970 56 N HN 0.287 nan 8.380 nan 0.000 0.462 57 K N 1.839 122.129 120.400 -0.184 0.000 2.404 57 K HA -0.072 4.248 4.320 0.001 0.000 0.271 57 K C -0.187 176.320 176.600 -0.155 0.000 1.130 57 K CA 0.732 56.905 56.287 -0.190 0.000 1.181 57 K CB 0.165 32.460 32.500 -0.341 0.000 0.840 57 K HN 0.023 nan 8.250 nan 0.000 0.483 58 K N 4.022 124.368 120.400 -0.089 0.000 2.264 58 K HA 0.064 4.384 4.320 0.001 0.000 0.277 58 K C -0.304 176.265 176.600 -0.051 0.000 1.067 58 K CA -0.285 55.963 56.287 -0.065 0.000 0.900 58 K CB 0.851 33.327 32.500 -0.039 0.000 1.124 58 K HN 0.233 nan 8.250 nan 0.000 0.469 59 K N 2.036 122.405 120.400 -0.052 0.000 2.360 59 K HA 0.196 4.517 4.320 0.001 0.000 0.235 59 K C 0.019 176.608 176.600 -0.018 0.000 1.077 59 K CA -0.015 56.253 56.287 -0.031 0.000 1.035 59 K CB 0.262 32.742 32.500 -0.035 0.000 1.623 59 K HN 0.756 nan 8.250 nan 0.000 0.462 60 G N 1.872 110.666 108.800 -0.011 0.000 2.164 60 G HA2 -0.117 3.843 3.960 0.001 0.000 0.212 60 G HA3 -0.117 3.843 3.960 0.001 0.000 0.212 60 G C 0.698 175.593 174.900 -0.009 0.000 1.031 60 G CA -0.194 44.903 45.100 -0.005 0.000 0.730 60 G HN 1.220 nan 8.290 nan 0.000 0.501 61 G N -1.196 107.596 108.800 -0.013 0.000 2.284 61 G HA2 -0.277 3.684 3.960 0.001 0.000 0.247 61 G HA3 -0.277 3.684 3.960 0.001 0.000 0.247 61 G C 0.375 175.263 174.900 -0.021 0.000 1.012 61 G CA 1.125 46.217 45.100 -0.014 0.000 0.618 61 G HN 1.007 nan 8.290 nan 0.000 0.521 62 E N 0.505 120.691 120.200 -0.023 0.000 2.371 62 E HA 0.460 4.810 4.350 0.001 0.000 0.257 62 E C 0.041 176.612 176.600 -0.048 0.000 1.134 62 E CA -0.267 56.115 56.400 -0.029 0.000 0.919 62 E CB 0.447 30.133 29.700 -0.024 0.000 1.025 62 E HN 0.095 nan 8.360 nan 0.000 0.438 63 K N 2.250 122.618 120.400 -0.055 0.000 2.499 63 K HA 0.163 4.483 4.320 0.001 0.000 0.215 63 K C 0.405 176.946 176.600 -0.098 0.000 1.041 63 K CA -0.100 56.135 56.287 -0.087 0.000 1.031 63 K CB 1.193 33.646 32.500 -0.078 0.000 1.479 63 K HN 0.262 nan 8.250 nan 0.000 0.518 64 V N 1.593 121.441 119.914 -0.110 0.000 2.261 64 V HA -0.294 3.826 4.120 0.001 0.000 0.246 64 V C 1.672 177.691 176.094 -0.126 0.000 1.047 64 V CA 1.753 63.998 62.300 -0.091 0.000 1.015 64 V CB -0.209 31.569 31.823 -0.075 0.000 0.642 64 V HN 0.604 nan 8.190 nan 0.000 0.446 65 N N 0.179 118.713 118.700 -0.277 0.000 2.137 65 N HA -0.216 4.524 4.740 0.001 0.000 0.190 65 N C 1.782 177.159 175.510 -0.221 0.000 1.017 65 N CA 1.413 54.196 53.050 -0.445 0.000 0.859 65 N CB -0.369 37.318 38.487 -1.334 0.000 1.002 65 N HN 0.456 nan 8.380 nan 0.000 0.428 66 K N 0.940 121.234 120.400 -0.176 0.000 2.097 66 K HA -0.084 4.236 4.320 0.001 0.000 0.206 66 K C 1.729 178.336 176.600 0.011 0.000 1.049 66 K CA 1.100 57.357 56.287 -0.050 0.000 0.933 66 K CB 0.098 32.570 32.500 -0.048 0.000 0.717 66 K HN 0.430 nan 8.250 nan 0.000 0.442 67 E N -0.164 120.036 120.200 0.001 0.000 2.152 67 E HA -0.132 4.218 4.350 0.001 0.000 0.192 67 E C 1.958 178.606 176.600 0.079 0.000 0.983 67 E CA 0.899 57.319 56.400 0.034 0.000 0.818 67 E CB -0.092 29.620 29.700 0.020 0.000 0.758 67 E HN 0.013 nan 8.360 nan 0.000 0.467 68 V N 1.597 121.568 119.914 0.096 0.000 2.343 68 V HA -0.223 3.898 4.120 0.001 0.000 0.247 68 V C 2.273 178.518 176.094 0.250 0.000 1.051 68 V CA 1.506 63.914 62.300 0.180 0.000 1.036 68 V CB -0.211 31.747 31.823 0.224 0.000 0.654 68 V HN 0.202 nan 8.190 nan 0.000 0.451 69 I N -0.179 120.540 120.570 0.248 0.000 2.676 69 I HA -0.145 4.025 4.170 0.001 0.000 0.259 69 I C 2.084 178.333 176.117 0.220 0.000 1.194 69 I CA 1.385 62.827 61.300 0.238 0.000 1.473 69 I CB -0.395 37.721 38.000 0.192 0.000 1.096 69 I HN 0.304 nan 8.210 nan 0.000 0.443 70 N N -0.604 118.188 118.700 0.153 0.000 2.250 70 N HA -0.162 4.578 4.740 0.001 0.000 0.181 70 N C 1.875 177.455 175.510 0.117 0.000 1.017 70 N CA 1.727 54.844 53.050 0.112 0.000 0.866 70 N CB 0.038 38.568 38.487 0.071 0.000 0.985 70 N HN 0.472 nan 8.380 nan 0.000 0.429 71 T N -0.937 113.699 114.554 0.136 0.000 2.951 71 T HA -0.115 4.236 4.350 0.001 0.000 0.268 71 T C 1.756 176.549 174.700 0.155 0.000 1.073 71 T CA 0.464 62.636 62.100 0.120 0.000 1.134 71 T CB -0.466 68.469 68.868 0.112 0.000 0.884 71 T HN 0.175 nan 8.240 nan 0.000 0.479 72 F N 1.834 121.835 119.950 0.085 0.000 2.102 72 F HA 0.121 4.649 4.527 0.000 0.000 0.298 72 F C 1.900 177.746 175.800 0.076 0.000 1.105 72 F CA 1.154 59.214 58.000 0.100 0.000 1.239 72 F CB -0.443 38.634 39.000 0.128 0.000 0.991 72 F HN 0.126 nan 8.300 nan 0.000 0.474 73 L N 0.049 121.281 121.223 0.014 0.000 2.083 73 L HA -0.183 4.158 4.340 0.001 0.000 0.209 73 L C 2.632 179.444 176.870 -0.097 0.000 1.083 73 L CA 1.566 56.342 54.840 -0.107 0.000 0.752 73 L CB -0.791 41.282 42.059 0.024 0.000 0.899 73 L HN 0.205 nan 8.230 nan 0.000 0.433 74 E N 0.473 120.655 120.200 -0.030 0.000 2.072 74 E HA -0.180 4.171 4.350 0.001 0.000 0.191 74 E C 1.826 178.393 176.600 -0.055 0.000 0.985 74 E CA 1.024 57.414 56.400 -0.015 0.000 0.801 74 E CB 0.008 29.716 29.700 0.013 0.000 0.750 74 E HN 0.468 nan 8.360 nan 0.000 0.452 75 N N 0.162 118.809 118.700 -0.088 0.000 2.188 75 N HA -0.134 4.606 4.740 0.001 0.000 0.184 75 N C 1.670 177.041 175.510 -0.233 0.000 1.018 75 N CA 0.633 53.608 53.050 -0.125 0.000 0.858 75 N CB -0.661 37.770 38.487 -0.094 0.000 0.989 75 N HN 0.142 nan 8.380 nan 0.000 0.426 76 F N 2.036 121.659 119.950 -0.545 0.000 2.102 76 F HA -0.107 4.421 4.527 0.000 0.000 0.298 76 F C 2.342 177.806 175.800 -0.560 0.000 1.105 76 F CA 1.383 58.949 58.000 -0.723 0.000 1.239 76 F CB -0.069 38.261 39.000 -1.116 0.000 0.991 76 F HN -0.070 nan 8.300 nan 0.000 0.474 77 K N 0.354 120.661 120.400 -0.155 0.000 2.063 77 K HA -0.281 4.039 4.320 0.001 0.000 0.208 77 K C 2.268 178.927 176.600 0.098 0.000 1.048 77 K CA 1.908 58.249 56.287 0.089 0.000 0.928 77 K CB -0.214 32.401 32.500 0.192 0.000 0.713 77 K HN 0.186 nan 8.250 nan 0.000 0.442 78 K N 0.560 120.958 120.400 -0.003 0.000 2.057 78 K HA -0.189 4.131 4.320 0.001 0.000 0.206 78 K C 2.020 178.594 176.600 -0.043 0.000 1.050 78 K CA 1.712 57.997 56.287 -0.003 0.000 0.935 78 K CB -0.014 32.473 32.500 -0.022 0.000 0.715 78 K HN 0.110 nan 8.250 nan 0.000 0.439 79 E N -0.040 120.079 120.200 -0.134 0.000 2.072 79 E HA -0.173 4.177 4.350 0.001 0.000 0.190 79 E C 1.688 178.195 176.600 -0.154 0.000 0.982 79 E CA 1.217 57.512 56.400 -0.174 0.000 0.803 79 E CB -0.374 29.160 29.700 -0.275 0.000 0.755 79 E HN 0.366 nan 8.360 nan 0.000 0.453 80 F N 1.189 120.948 119.950 -0.318 0.000 2.069 80 F HA -0.198 4.329 4.527 0.001 0.000 0.298 80 F C 1.855 177.662 175.800 0.010 0.000 1.113 80 F CA 1.937 59.829 58.000 -0.179 0.000 1.214 80 F CB -0.282 38.659 39.000 -0.098 0.000 0.978 80 F HN 0.060 nan 8.300 nan 0.000 0.474 81 N N 0.702 119.489 118.700 0.146 0.000 2.331 81 N HA -0.163 4.578 4.740 0.001 0.000 0.180 81 N C 1.806 177.290 175.510 -0.043 0.000 1.019 81 N CA 0.975 54.070 53.050 0.074 0.000 0.881 81 N CB -0.317 38.304 38.487 0.223 0.000 0.972 81 N HN 0.427 nan 8.380 nan 0.000 0.435 82 K N 1.325 121.693 120.400 -0.052 0.000 2.026 82 K HA -0.033 4.287 4.320 0.001 0.000 0.208 82 K C 2.040 178.579 176.600 -0.101 0.000 1.048 82 K CA 0.833 57.081 56.287 -0.065 0.000 0.929 82 K CB -0.087 32.377 32.500 -0.061 0.000 0.713 82 K HN 0.040 nan 8.250 nan 0.000 0.439 83 L N 1.225 122.357 121.223 -0.153 0.000 2.046 83 L HA -0.191 4.149 4.340 0.001 0.000 0.208 83 L C 2.805 179.574 176.870 -0.168 0.000 1.077 83 L CA 1.425 56.170 54.840 -0.158 0.000 0.747 83 L CB -0.565 41.379 42.059 -0.192 0.000 0.896 83 L HN 0.298 nan 8.230 nan 0.000 0.432 84 K N 0.364 120.606 120.400 -0.264 0.000 2.057 84 K HA -0.177 4.143 4.320 0.001 0.000 0.207 84 K C 1.676 178.225 176.600 -0.086 0.000 1.049 84 K CA 1.513 57.684 56.287 -0.192 0.000 0.931 84 K CB -0.057 32.283 32.500 -0.266 0.000 0.714 84 K HN 0.315 nan 8.250 nan 0.000 0.440 85 N N 0.519 119.175 118.700 -0.074 0.000 2.457 85 N HA -0.034 4.706 4.740 0.001 0.000 0.180 85 N C 1.311 176.791 175.510 -0.050 0.000 1.050 85 N CA 0.822 53.843 53.050 -0.049 0.000 0.906 85 N CB 0.186 38.656 38.487 -0.029 0.000 0.968 85 N HN 0.285 nan 8.380 nan 0.000 0.445 86 A N 0.032 122.818 122.820 -0.056 0.000 2.169 86 A HA 0.074 4.394 4.320 0.001 0.000 0.212 86 A C 0.616 178.174 177.584 -0.043 0.000 1.153 86 A CA 0.290 52.299 52.037 -0.046 0.000 0.756 86 A CB 0.097 19.069 19.000 -0.047 0.000 0.813 86 A HN 0.092 nan 8.150 nan 0.000 0.471 87 N N 0.319 118.992 118.700 -0.045 0.000 2.400 87 N HA 0.225 4.965 4.740 0.001 0.000 0.288 87 N C -0.747 174.738 175.510 -0.041 0.000 1.024 87 N CA -0.321 52.709 53.050 -0.034 0.000 0.894 87 N CB 1.641 40.115 38.487 -0.022 0.000 1.173 87 N HN 0.038 nan 8.380 nan 0.000 0.487 88 D N 1.380 121.756 120.400 -0.040 0.000 2.144 88 D HA -0.139 4.501 4.640 0.001 0.000 0.199 88 D C 1.460 177.716 176.300 -0.073 0.000 0.984 88 D CA 1.401 55.367 54.000 -0.057 0.000 0.834 88 D CB 0.296 41.068 40.800 -0.046 0.000 0.955 88 D HN 0.482 nan 8.370 nan 0.000 0.465 89 K N -0.394 119.982 120.400 -0.041 0.000 2.283 89 K HA -0.057 4.263 4.320 0.001 0.000 0.202 89 K C 1.117 177.701 176.600 -0.025 0.000 1.048 89 K CA 1.357 57.627 56.287 -0.029 0.000 0.948 89 K CB 0.204 32.722 32.500 0.030 0.000 0.742 89 K HN 0.300 nan 8.250 nan 0.000 0.458 90 T N -2.969 111.574 114.554 -0.017 0.000 3.004 90 T HA 0.080 4.430 4.350 0.001 0.000 0.266 90 T C 1.226 175.861 174.700 -0.108 0.000 0.986 90 T CA -0.327 61.796 62.100 0.038 0.000 0.902 90 T CB 0.167 69.116 68.868 0.134 0.000 1.118 90 T HN 0.215 nan 8.240 nan 0.000 0.522 91 K N 1.584 121.904 120.400 -0.133 0.000 2.442 91 K HA 0.068 4.388 4.320 0.001 0.000 0.198 91 K C 1.242 177.729 176.600 -0.188 0.000 1.042 91 K CA 0.848 57.059 56.287 -0.125 0.000 0.958 91 K CB -0.224 32.220 32.500 -0.094 0.000 0.766 91 K HN 0.102 nan 8.250 nan 0.000 0.474 92 N N 0.140 118.644 118.700 -0.327 0.000 2.336 92 N HA 0.081 4.821 4.740 0.001 0.000 0.189 92 N C -0.494 174.755 175.510 -0.436 0.000 1.113 92 N CA 0.195 53.033 53.050 -0.354 0.000 0.858 92 N CB 0.048 38.306 38.487 -0.383 0.000 0.970 92 N HN 0.065 nan 8.380 nan 0.000 0.471 93 F N 1.556 121.216 119.950 -0.482 0.000 2.403 93 F HA 0.128 4.656 4.527 0.000 0.000 0.320 93 F C 1.245 176.810 175.800 -0.391 0.000 1.176 93 F CA -0.651 56.915 58.000 -0.722 0.000 1.206 93 F CB 0.341 38.226 39.000 -1.859 0.000 1.235 93 F HN -0.186 nan 8.300 nan 0.000 0.565 94 D N 0.917 121.325 120.400 0.014 0.000 2.423 94 D HA -0.001 4.640 4.640 0.001 0.000 0.238 94 D C -0.368 176.138 176.300 0.344 0.000 1.142 94 D CA 0.120 54.226 54.000 0.176 0.000 0.884 94 D CB 0.353 41.284 40.800 0.219 0.000 1.199 94 D HN 0.345 nan 8.370 nan 0.000 0.438 95 D N -0.083 120.463 120.400 0.244 0.000 2.400 95 D HA 0.135 4.776 4.640 0.001 0.000 0.238 95 D C -0.312 176.163 176.300 0.292 0.000 1.157 95 D CA 0.085 54.258 54.000 0.287 0.000 0.889 95 D CB 0.830 41.739 40.800 0.181 0.000 1.199 95 D HN -0.108 nan 8.370 nan 0.000 0.436 96 V N 1.605 121.707 119.914 0.314 0.000 2.555 96 V HA 0.266 4.386 4.120 0.001 0.000 0.302 96 V C -0.137 175.831 176.094 -0.209 0.000 1.038 96 V CA -0.826 61.454 62.300 -0.034 0.000 0.887 96 V CB 2.035 33.677 31.823 -0.300 0.000 0.991 96 V HN 0.464 nan 8.190 nan 0.000 0.434 97 D N 2.042 122.224 120.400 -0.362 0.000 2.181 97 D HA 0.596 5.236 4.640 0.001 0.000 0.248 97 D C -1.220 174.699 176.300 -0.635 0.000 1.020 97 D CA -0.114 53.714 54.000 -0.287 0.000 0.891 97 D CB 1.163 41.874 40.800 -0.149 0.000 1.187 97 D HN 0.250 nan 8.370 nan 0.000 0.443 98 F N 1.836 121.625 119.950 -0.268 0.000 2.495 98 F HA 0.495 5.022 4.527 0.000 0.000 0.327 98 F C 0.447 176.027 175.800 -0.367 0.000 1.103 98 F CA -0.681 57.050 58.000 -0.448 0.000 0.949 98 F CB 1.742 40.399 39.000 -0.571 0.000 1.142 98 F HN 0.198 nan 8.300 nan 0.000 0.457 99 K N 1.206 121.439 120.400 -0.278 0.000 2.430 99 K HA 0.901 5.221 4.320 0.001 0.000 0.268 99 K C -1.514 174.993 176.600 -0.154 0.000 1.043 99 K CA -1.183 55.006 56.287 -0.164 0.000 0.899 99 K CB 2.233 34.661 32.500 -0.120 0.000 1.472 99 K HN 0.375 nan 8.250 nan 0.000 0.451 100 V N -2.945 116.948 119.914 -0.035 0.000 3.046 100 V HA 0.776 4.897 4.120 0.001 0.000 0.316 100 V C -0.744 175.369 176.094 0.033 0.000 1.104 100 V CA -0.625 61.698 62.300 0.037 0.000 1.006 100 V CB 1.796 33.673 31.823 0.090 0.000 1.058 100 V HN 0.869 nan 8.190 nan 0.000 0.440 101 T N 2.577 117.165 114.554 0.056 0.000 2.916 101 T HA 0.652 5.002 4.350 0.001 0.000 0.298 101 T C -3.103 171.632 174.700 0.058 0.000 1.031 101 T CA -1.483 60.642 62.100 0.042 0.000 0.993 101 T CB 2.213 71.095 68.868 0.022 0.000 1.045 101 T HN 0.863 nan 8.240 nan 0.000 0.454 102 P HA 0.487 nan 4.420 nan 0.000 0.276 102 P C -1.035 176.294 177.300 0.048 0.000 1.230 102 P CA -0.398 62.745 63.100 0.070 0.000 0.776 102 P CB 0.742 32.483 31.700 0.068 0.000 0.888 103 I N 2.341 122.941 120.570 0.050 0.000 2.569 103 I HA 0.172 4.342 4.170 0.001 0.000 0.296 103 I C 1.566 177.703 176.117 0.033 0.000 1.028 103 I CA -0.435 60.881 61.300 0.026 0.000 1.082 103 I CB 1.993 39.997 38.000 0.007 0.000 1.264 103 I HN 0.201 nan 8.210 nan 0.000 0.429 104 Q N 2.319 122.129 119.800 0.017 0.000 1.993 104 Q HA -0.060 4.280 4.340 0.001 0.000 0.202 104 Q C -0.389 175.633 176.000 0.036 0.000 0.984 104 Q CA 1.707 57.524 55.803 0.024 0.000 0.837 104 Q CB -0.033 28.709 28.738 0.006 0.000 0.902 104 Q HN 0.817 nan 8.270 nan 0.000 0.423 105 D N -3.076 117.335 120.400 0.019 0.000 2.677 105 D HA 0.070 4.711 4.640 0.001 0.000 0.298 105 D C -0.032 176.287 176.300 0.033 0.000 1.250 105 D CA -0.701 53.336 54.000 0.062 0.000 0.888 105 D CB -0.403 40.444 40.800 0.079 0.000 1.397 105 D HN 0.041 nan 8.370 nan 0.000 0.461 106 F N -0.690 119.227 119.950 -0.055 0.000 2.365 106 F HA -0.010 4.518 4.527 0.000 0.000 0.300 106 F C 1.773 177.503 175.800 -0.118 0.000 1.090 106 F CA 1.413 59.355 58.000 -0.097 0.000 1.408 106 F CB -0.866 38.076 39.000 -0.097 0.000 1.060 106 F HN 0.357 nan 8.300 nan 0.000 0.534 107 T N -1.919 112.006 114.554 -1.048 0.000 2.867 107 T HA -0.114 4.236 4.350 0.001 0.000 0.268 107 T C 1.926 176.374 174.700 -0.421 0.000 1.057 107 T CA 1.117 62.686 62.100 -0.886 0.000 1.136 107 T CB -0.959 67.534 68.868 -0.625 0.000 0.874 107 T HN 0.259 nan 8.240 nan 0.000 0.466 108 V N 0.923 120.673 119.914 -0.274 0.000 2.548 108 V HA 0.037 4.158 4.120 0.001 0.000 0.249 108 V C 2.368 178.364 176.094 -0.163 0.000 1.055 108 V CA 1.128 63.329 62.300 -0.164 0.000 1.065 108 V CB -0.315 31.450 31.823 -0.096 0.000 0.681 108 V HN 0.437 nan 8.190 nan 0.000 0.462 109 L N -0.298 120.821 121.223 -0.173 0.000 1.994 109 L HA -0.151 4.189 4.340 0.001 0.000 0.208 109 L C 2.161 178.888 176.870 -0.239 0.000 1.071 109 L CA 2.184 56.927 54.840 -0.162 0.000 0.745 109 L CB -0.540 41.443 42.059 -0.127 0.000 0.892 109 L HN 0.232 nan 8.230 nan 0.000 0.431 110 L N -0.491 120.505 121.223 -0.378 0.000 2.056 110 L HA -0.171 4.170 4.340 0.001 0.000 0.207 110 L C 2.368 178.948 176.870 -0.483 0.000 1.078 110 L CA 1.055 55.516 54.840 -0.632 0.000 0.749 110 L CB -0.840 40.504 42.059 -1.193 0.000 0.901 110 L HN 0.379 nan 8.230 nan 0.000 0.433 111 N N 0.299 118.817 118.700 -0.304 0.000 2.120 111 N HA -0.165 4.575 4.740 0.001 0.000 0.188 111 N C 1.621 177.104 175.510 -0.045 0.000 1.024 111 N CA 1.239 54.249 53.050 -0.066 0.000 0.852 111 N CB -0.508 37.952 38.487 -0.045 0.000 1.003 111 N HN 0.305 nan 8.380 nan 0.000 0.424 112 N N 1.121 119.771 118.700 -0.083 0.000 2.142 112 N HA -0.005 4.735 4.740 0.001 0.000 0.186 112 N C 1.909 177.398 175.510 -0.035 0.000 1.023 112 N CA 0.446 53.467 53.050 -0.049 0.000 0.852 112 N CB -0.464 37.991 38.487 -0.053 0.000 0.998 112 N HN 0.235 nan 8.380 nan 0.000 0.424 113 L N 0.653 121.838 121.223 -0.062 0.000 2.131 113 L HA -0.128 4.212 4.340 0.001 0.000 0.210 113 L C 2.121 178.997 176.870 0.011 0.000 1.092 113 L CA 1.219 56.039 54.840 -0.034 0.000 0.759 113 L CB -0.536 41.477 42.059 -0.078 0.000 0.903 113 L HN 0.262 nan 8.230 nan 0.000 0.435 114 S N -2.600 113.119 115.700 0.032 0.000 2.515 114 S HA -0.154 4.317 4.470 0.001 0.000 0.231 114 S C 1.843 176.483 174.600 0.067 0.000 0.987 114 S CA 1.244 59.505 58.200 0.101 0.000 0.936 114 S CB -0.312 63.033 63.200 0.241 0.000 0.766 114 S HN 0.333 nan 8.310 nan 0.000 0.528 115 T N 0.921 115.500 114.554 0.041 0.000 3.088 115 T HA 0.034 4.384 4.350 0.001 0.000 0.259 115 T C 0.277 174.991 174.700 0.023 0.000 1.122 115 T CA 0.767 62.884 62.100 0.029 0.000 1.095 115 T CB -0.916 67.963 68.868 0.017 0.000 0.930 115 T HN 0.457 nan 8.240 nan 0.000 0.508 116 D N 1.715 122.130 120.400 0.026 0.000 2.716 116 D HA -0.146 4.495 4.640 0.001 0.000 0.239 116 D C -0.585 175.724 176.300 0.015 0.000 1.125 116 D CA 0.225 54.240 54.000 0.026 0.000 0.681 116 D CB -1.712 39.103 40.800 0.026 0.000 1.070 116 D HN 0.428 nan 8.370 nan 0.000 0.432 117 N N 0.485 119.192 118.700 0.011 0.000 2.419 117 N HA 0.248 4.988 4.740 0.001 0.000 0.264 117 N C -1.841 173.668 175.510 -0.001 0.000 1.031 117 N CA -1.701 51.351 53.050 0.003 0.000 0.951 117 N CB 1.474 39.961 38.487 0.000 0.000 1.101 117 N HN -0.050 nan 8.380 nan 0.000 0.488 118 P HA -0.113 nan 4.420 nan 0.000 0.226 118 P C 0.430 177.711 177.300 -0.032 0.000 1.146 118 P CA 1.027 64.112 63.100 -0.025 0.000 0.773 118 P CB 0.282 31.961 31.700 -0.034 0.000 0.772 119 E N -1.295 118.891 120.200 -0.023 0.000 2.418 119 E HA 0.014 4.364 4.350 0.001 0.000 0.197 119 E C 0.371 176.961 176.600 -0.017 0.000 1.026 119 E CA 0.555 56.939 56.400 -0.027 0.000 0.862 119 E CB -0.423 29.265 29.700 -0.020 0.000 0.799 119 E HN 0.134 nan 8.360 nan 0.000 0.518 120 L N 0.889 122.112 121.223 -0.001 0.000 2.491 120 L HA 0.336 4.676 4.340 0.001 0.000 0.267 120 L C -0.888 176.014 176.870 0.053 0.000 0.971 120 L CA -0.157 54.696 54.840 0.021 0.000 0.857 120 L CB 1.991 44.056 42.059 0.010 0.000 1.226 120 L HN -0.099 nan 8.230 nan 0.000 0.408 121 D N 3.993 124.457 120.400 0.107 0.000 2.422 121 D HA 0.155 4.795 4.640 0.001 0.000 0.218 121 D C -0.467 176.028 176.300 0.326 0.000 1.047 121 D CA 0.851 54.967 54.000 0.192 0.000 0.885 121 D CB 1.150 42.055 40.800 0.175 0.000 1.035 121 D HN 0.305 nan 8.370 nan 0.000 0.502 122 F N 0.197 120.194 119.950 0.079 0.000 2.665 122 F HA 0.508 5.035 4.527 0.000 0.000 0.308 122 F C -1.187 174.567 175.800 -0.078 0.000 1.112 122 F CA -0.429 57.523 58.000 -0.080 0.000 0.972 122 F CB 1.968 40.911 39.000 -0.094 0.000 1.295 122 F HN -0.097 nan 8.300 nan 0.000 0.440 123 G N 3.669 111.850 108.800 -1.032 0.000 2.623 123 G HA2 0.597 4.557 3.960 0.001 0.000 0.290 123 G HA3 0.597 4.557 3.960 0.001 0.000 0.290 123 G C -2.268 172.046 174.900 -0.977 0.000 1.437 123 G CA -0.844 43.801 45.100 -0.757 0.000 0.798 123 G HN 0.720 nan 8.290 nan 0.000 0.488 124 I N 1.344 121.567 120.570 -0.579 0.000 2.404 124 I HA 0.408 4.579 4.170 0.001 0.000 0.293 124 I C -0.333 175.600 176.117 -0.308 0.000 0.992 124 I CA -0.821 60.180 61.300 -0.498 0.000 1.149 124 I CB 2.042 39.771 38.000 -0.452 0.000 1.315 124 I HN 0.354 nan 8.210 nan 0.000 0.446 125 N N 3.580 122.109 118.700 -0.285 0.000 2.262 125 N HA 0.570 5.311 4.740 0.001 0.000 0.295 125 N C -0.802 174.588 175.510 -0.201 0.000 1.161 125 N CA -0.489 52.444 53.050 -0.195 0.000 0.767 125 N CB 2.585 40.982 38.487 -0.150 0.000 1.499 125 N HN 0.685 nan 8.380 nan 0.000 0.476 126 A N 0.952 123.644 122.820 -0.212 0.000 2.531 126 A HA 0.102 4.422 4.320 0.001 0.000 0.236 126 A C 1.466 178.970 177.584 -0.133 0.000 1.062 126 A CA 0.461 52.370 52.037 -0.213 0.000 0.760 126 A CB 0.007 18.867 19.000 -0.233 0.000 0.995 126 A HN 0.799 nan 8.150 nan 0.000 0.501 127 S N 2.669 118.325 115.700 -0.074 0.000 2.368 127 S HA -0.067 4.403 4.470 0.001 0.000 0.224 127 S C 1.920 176.438 174.600 -0.137 0.000 1.029 127 S CA 1.330 59.506 58.200 -0.040 0.000 0.988 127 S CB -0.970 62.251 63.200 0.035 0.000 0.838 127 S HN 1.215 nan 8.310 nan 0.000 0.462 128 G N 2.009 110.727 108.800 -0.137 0.000 2.421 128 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 128 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 128 G C 1.524 176.242 174.900 -0.303 0.000 1.171 128 G CA 0.840 45.675 45.100 -0.441 0.000 0.775 128 G HN 0.573 nan 8.290 nan 0.000 0.543 129 K N -0.403 119.919 120.400 -0.129 0.000 2.103 129 K HA -0.063 4.257 4.320 0.001 0.000 0.207 129 K C 2.365 179.008 176.600 0.073 0.000 1.048 129 K CA 1.153 57.422 56.287 -0.030 0.000 0.930 129 K CB -0.260 32.102 32.500 -0.229 0.000 0.716 129 K HN 0.308 nan 8.250 nan 0.000 0.444 130 L N 0.604 121.836 121.223 0.016 0.000 2.072 130 L HA -0.120 4.220 4.340 0.001 0.000 0.205 130 L C 1.951 178.913 176.870 0.153 0.000 1.079 130 L CA 1.310 56.211 54.840 0.101 0.000 0.752 130 L CB -0.185 41.914 42.059 0.067 0.000 0.906 130 L HN -0.121 nan 8.230 nan 0.000 0.436 131 V N 0.155 120.077 119.914 0.014 0.000 2.392 131 V HA -0.240 3.880 4.120 0.001 0.000 0.249 131 V C 2.670 178.790 176.094 0.043 0.000 1.059 131 V CA 1.835 64.138 62.300 0.006 0.000 1.051 131 V CB -0.740 30.900 31.823 -0.304 0.000 0.658 131 V HN 0.486 nan 8.190 nan 0.000 0.455 132 E N -0.563 119.647 120.200 0.017 0.000 2.047 132 E HA -0.194 4.156 4.350 0.001 0.000 0.191 132 E C 2.015 178.706 176.600 0.153 0.000 0.987 132 E CA 1.245 57.705 56.400 0.100 0.000 0.799 132 E CB -0.463 29.311 29.700 0.123 0.000 0.752 132 E HN 0.612 nan 8.360 nan 0.000 0.449 133 F N 1.437 121.422 119.950 0.058 0.000 2.095 133 F HA -0.169 4.358 4.527 0.001 0.000 0.298 133 F C 2.185 178.008 175.800 0.040 0.000 1.104 133 F CA 1.299 59.330 58.000 0.051 0.000 1.232 133 F CB -0.172 38.859 39.000 0.052 0.000 0.987 133 F HN -0.076 nan 8.300 nan 0.000 0.475 134 L N -0.427 120.894 121.223 0.163 0.000 2.395 134 L HA -0.126 4.214 4.340 0.001 0.000 0.218 134 L C 2.237 179.121 176.870 0.024 0.000 1.130 134 L CA 0.729 55.614 54.840 0.074 0.000 0.826 134 L CB -0.477 41.679 42.059 0.161 0.000 0.941 134 L HN 0.058 nan 8.230 nan 0.000 0.451 135 K N 0.164 120.589 120.400 0.042 0.000 2.057 135 K HA -0.131 4.189 4.320 0.001 0.000 0.207 135 K C 1.975 178.558 176.600 -0.028 0.000 1.049 135 K CA 1.155 57.460 56.287 0.031 0.000 0.931 135 K CB 0.027 32.562 32.500 0.057 0.000 0.714 135 K HN 0.199 nan 8.250 nan 0.000 0.440 136 N N 0.954 119.602 118.700 -0.087 0.000 2.039 136 N HA -0.103 4.637 4.740 0.001 0.000 0.193 136 N C -0.297 175.113 175.510 -0.166 0.000 1.044 136 N CA 1.147 54.115 53.050 -0.136 0.000 0.847 136 N CB -0.223 38.138 38.487 -0.209 0.000 1.030 136 N HN 0.219 nan 8.380 nan 0.000 0.422 137 N N 1.425 119.963 118.700 -0.271 0.000 2.904 137 N HA 0.264 5.005 4.740 0.001 0.000 0.257 137 N C -2.732 172.691 175.510 -0.145 0.000 1.363 137 N CA -1.111 51.794 53.050 -0.242 0.000 0.856 137 N CB 1.420 39.666 38.487 -0.402 0.000 1.166 137 N HN 0.206 nan 8.380 nan 0.000 0.499 138 P HA 0.077 nan 4.420 nan 0.000 0.269 138 P C 1.014 178.308 177.300 -0.011 0.000 1.209 138 P CA 0.627 63.717 63.100 -0.017 0.000 0.776 138 P CB 0.768 32.469 31.700 0.001 0.000 0.876 139 G N 2.554 111.353 108.800 -0.002 0.000 2.205 139 G HA2 -0.345 3.616 3.960 0.001 0.000 0.269 139 G HA3 -0.345 3.616 3.960 0.001 0.000 0.269 139 G C 0.799 175.704 174.900 0.008 0.000 0.977 139 G CA 0.404 45.503 45.100 -0.001 0.000 0.652 139 G HN 0.565 nan 8.290 nan 0.000 0.539 140 I N 0.735 121.317 120.570 0.021 0.000 2.761 140 I HA 0.275 4.446 4.170 0.001 0.000 0.261 140 I C 1.391 177.551 176.117 0.071 0.000 1.198 140 I CA 1.192 62.520 61.300 0.048 0.000 1.482 140 I CB -0.032 38.003 38.000 0.058 0.000 1.100 140 I HN 0.489 nan 8.210 nan 0.000 0.445 141 I N -4.058 116.551 120.570 0.066 0.000 3.174 141 I HA 0.434 4.605 4.170 0.001 0.000 0.313 141 I C -0.934 175.177 176.117 -0.009 0.000 1.155 141 I CA -0.664 60.663 61.300 0.046 0.000 0.977 141 I CB 2.173 40.199 38.000 0.043 0.000 1.248 141 I HN -0.414 nan 8.210 nan 0.000 0.453 142 T N 3.327 117.891 114.554 0.018 0.000 2.864 142 T HA 0.471 4.821 4.350 0.001 0.000 0.310 142 T C -2.707 171.991 174.700 -0.003 0.000 1.040 142 T CA -1.115 60.988 62.100 0.005 0.000 0.977 142 T CB 1.186 70.115 68.868 0.103 0.000 0.976 142 T HN 0.440 nan 8.240 nan 0.000 0.459 143 P HA 0.495 nan 4.420 nan 0.000 0.280 143 P C -0.119 177.206 177.300 0.042 0.000 1.244 143 P CA -0.389 62.620 63.100 -0.151 0.000 0.784 143 P CB 1.346 32.763 31.700 -0.472 0.000 0.913 144 A N 3.356 126.253 122.820 0.130 0.000 2.150 144 A HA 0.351 4.672 4.320 0.001 0.000 0.191 144 A C 0.354 178.050 177.584 0.187 0.000 1.591 144 A CA 0.236 52.408 52.037 0.226 0.000 1.142 144 A CB -0.125 19.150 19.000 0.457 0.000 1.326 144 A HN 0.549 nan 8.150 nan 0.000 0.470 145 L N -2.240 119.055 121.223 0.120 0.000 2.376 145 L HA 0.866 5.206 4.340 0.001 0.000 0.258 145 L C -0.924 175.964 176.870 0.029 0.000 1.013 145 L CA -0.749 54.141 54.840 0.084 0.000 0.822 145 L CB 1.946 44.032 42.059 0.046 0.000 1.388 145 L HN 0.107 nan 8.230 nan 0.000 0.413 146 E N 1.159 121.390 120.200 0.052 0.000 2.187 146 E HA 0.488 4.838 4.350 0.001 0.000 0.268 146 E C -0.786 175.812 176.600 -0.004 0.000 0.896 146 E CA -0.638 55.777 56.400 0.025 0.000 0.766 146 E CB 1.775 31.515 29.700 0.066 0.000 1.142 146 E HN 0.845 nan 8.360 nan 0.000 0.408 147 T N 1.054 115.549 114.554 -0.098 0.000 2.849 147 T HA 0.499 4.849 4.350 0.001 0.000 0.284 147 T C 0.310 174.954 174.700 -0.094 0.000 1.004 147 T CA -0.476 61.509 62.100 -0.192 0.000 1.021 147 T CB 1.415 70.018 68.868 -0.441 0.000 1.013 147 T HN 0.501 nan 8.240 nan 0.000 0.527 148 T N -1.834 112.590 114.554 -0.216 0.000 2.906 148 T HA 0.667 5.017 4.350 0.001 0.000 0.295 148 T C -0.533 173.912 174.700 -0.425 0.000 1.075 148 T CA -0.809 61.133 62.100 -0.264 0.000 1.005 148 T CB 1.898 70.646 68.868 -0.199 0.000 1.136 148 T HN 0.832 nan 8.240 nan 0.000 0.498 149 T N 1.120 115.304 114.554 -0.615 0.000 2.907 149 T HA 0.465 4.815 4.350 0.001 0.000 0.292 149 T C -0.641 173.765 174.700 -0.489 0.000 1.043 149 T CA -0.773 60.927 62.100 -0.667 0.000 1.003 149 T CB 0.835 69.001 68.868 -1.171 0.000 1.084 149 T HN 0.664 nan 8.240 nan 0.000 0.483 150 N N 2.695 121.164 118.700 -0.386 0.000 2.411 150 N HA 0.068 4.808 4.740 0.001 0.000 0.261 150 N C 0.259 175.620 175.510 -0.249 0.000 1.248 150 N CA 0.209 53.104 53.050 -0.257 0.000 0.885 150 N CB 0.686 39.033 38.487 -0.234 0.000 1.062 150 N HN 0.725 nan 8.380 nan 0.000 0.471 151 S N 2.028 117.592 115.700 -0.228 0.000 2.572 151 S HA 0.239 4.709 4.470 0.001 0.000 0.279 151 S C 0.062 174.507 174.600 -0.258 0.000 1.341 151 S CA -0.517 57.512 58.200 -0.285 0.000 1.043 151 S CB 0.128 63.231 63.200 -0.162 0.000 0.887 151 S HN 0.254 nan 8.310 nan 0.000 0.516 152 F N 1.941 121.667 119.950 -0.374 0.000 2.471 152 F HA 0.203 4.730 4.527 0.000 0.000 0.353 152 F C 1.721 177.158 175.800 -0.605 0.000 1.113 152 F CA -0.831 56.725 58.000 -0.741 0.000 1.262 152 F CB 0.732 38.958 39.000 -1.290 0.000 1.146 152 F HN 0.574 nan 8.300 nan 0.000 0.578 153 V N 0.845 120.591 119.914 -0.279 0.000 2.720 153 V HA -0.252 3.869 4.120 0.001 0.000 0.256 153 V C 1.370 177.442 176.094 -0.037 0.000 1.082 153 V CA 1.737 63.985 62.300 -0.086 0.000 1.101 153 V CB -1.577 30.264 31.823 0.030 0.000 0.693 153 V HN 0.713 nan 8.190 nan 0.000 0.479 154 F N 0.398 120.412 119.950 0.106 0.000 2.765 154 F HA 0.551 5.078 4.527 0.000 0.000 0.302 154 F C 0.699 176.556 175.800 0.096 0.000 1.111 154 F CA -0.092 57.951 58.000 0.071 0.000 1.359 154 F CB -0.191 38.825 39.000 0.026 0.000 1.097 154 F HN 0.272 nan 8.300 nan 0.000 0.577 155 D N 0.861 121.280 120.400 0.031 0.000 2.823 155 D HA 0.167 4.807 4.640 0.001 0.000 0.255 155 D C 0.275 176.705 176.300 0.216 0.000 1.257 155 D CA -0.201 53.921 54.000 0.202 0.000 0.803 155 D CB 0.339 41.344 40.800 0.341 0.000 1.384 155 D HN 0.155 nan 8.370 nan 0.000 0.541 156 K N 0.146 120.639 120.400 0.154 0.000 2.379 156 K HA 0.162 4.483 4.320 0.001 0.000 0.194 156 K C 0.043 176.761 176.600 0.197 0.000 1.031 156 K CA 0.363 56.738 56.287 0.146 0.000 1.037 156 K CB 0.795 33.335 32.500 0.067 0.000 0.824 156 K HN 0.271 nan 8.250 nan 0.000 0.516 157 E N 1.116 121.399 120.200 0.138 0.000 2.155 157 E HA 0.083 4.434 4.350 0.001 0.000 0.264 157 E C -0.160 176.286 176.600 -0.255 0.000 0.886 157 E CA -0.248 56.154 56.400 0.003 0.000 0.752 157 E CB 2.082 31.764 29.700 -0.030 0.000 1.133 157 E HN 0.004 nan 8.360 nan 0.000 0.414 158 K N 2.644 122.772 120.400 -0.454 0.000 2.020 158 K HA -0.175 4.145 4.320 0.001 0.000 0.212 158 K C 0.801 176.934 176.600 -0.779 0.000 1.050 158 K CA 1.331 56.958 56.287 -1.100 0.000 0.929 158 K CB 0.162 32.264 32.500 -0.663 0.000 0.714 158 K HN 0.407 nan 8.250 nan 0.000 0.443 159 D N 1.464 121.590 120.400 -0.457 0.000 2.688 159 D HA -0.010 4.631 4.640 0.001 0.000 0.228 159 D C -1.007 175.031 176.300 -0.438 0.000 1.116 159 D CA 0.247 53.993 54.000 -0.423 0.000 1.023 159 D CB 0.015 40.789 40.800 -0.044 0.000 1.100 159 D HN 0.045 nan 8.370 nan 0.000 0.487 160 K N 2.139 122.115 120.400 -0.706 0.000 2.413 160 K HA 0.355 4.676 4.320 0.001 0.000 0.257 160 K C -0.587 175.608 176.600 -0.676 0.000 0.946 160 K CA -0.613 55.397 56.287 -0.462 0.000 0.823 160 K CB 1.354 33.700 32.500 -0.257 0.000 1.109 160 K HN 0.075 nan 8.250 nan 0.000 0.427 161 F N 0.369 120.300 119.950 -0.033 0.000 2.620 161 F HA 0.303 4.830 4.527 0.001 0.000 0.320 161 F C 0.308 176.135 175.800 0.044 0.000 1.069 161 F CA -1.384 56.618 58.000 0.004 0.000 0.953 161 F CB 0.861 39.859 39.000 -0.003 0.000 1.322 161 F HN 0.358 nan 8.300 nan 0.000 0.479 162 Y N 0.856 121.261 120.300 0.175 0.000 2.702 162 Y HA 0.239 4.789 4.550 0.001 0.000 0.336 162 Y C 0.178 176.130 175.900 0.087 0.000 1.235 162 Y CA 0.324 58.485 58.100 0.102 0.000 1.492 162 Y CB 0.526 39.036 38.460 0.084 0.000 1.308 162 Y HN 0.392 nan 8.280 nan 0.000 0.589 163 V N 3.120 122.649 119.914 -0.641 0.000 3.264 163 V HA 0.051 4.171 4.120 0.001 0.000 0.217 163 V C 0.273 175.957 176.094 -0.684 0.000 1.236 163 V CA 1.057 63.093 62.300 -0.441 0.000 1.287 163 V CB 0.346 32.031 31.823 -0.230 0.000 1.241 163 V HN 0.877 nan 8.190 nan 0.000 0.518 164 D N -1.234 118.732 120.400 -0.724 0.000 2.497 164 D HA 0.255 4.896 4.640 0.001 0.000 0.256 164 D C 1.288 177.482 176.300 -0.177 0.000 1.273 164 D CA 0.752 54.500 54.000 -0.419 0.000 0.812 164 D CB 0.507 41.203 40.800 -0.173 0.000 1.190 164 D HN 0.641 nan 8.370 nan 0.000 0.524 165 G N 0.485 109.143 108.800 -0.237 0.000 2.148 165 G HA2 -0.276 3.685 3.960 0.001 0.000 0.254 165 G HA3 -0.276 3.685 3.960 0.001 0.000 0.254 165 G C 0.554 175.620 174.900 0.275 0.000 0.981 165 G CA 0.861 46.114 45.100 0.255 0.000 0.670 165 G HN 0.881 nan 8.290 nan 0.000 0.528 166 T N -2.499 112.116 114.554 0.101 0.000 2.852 166 T HA 0.523 4.873 4.350 0.001 0.000 0.281 166 T C 1.435 176.169 174.700 0.057 0.000 0.993 166 T CA 0.517 62.677 62.100 0.100 0.000 0.933 166 T CB 1.335 70.226 68.868 0.040 0.000 1.187 166 T HN 0.334 nan 8.240 nan 0.000 0.559 167 D N -0.158 120.267 120.400 0.043 0.000 2.351 167 D HA -0.137 4.504 4.640 0.001 0.000 0.216 167 D C 1.513 177.811 176.300 -0.003 0.000 0.968 167 D CA 1.250 55.260 54.000 0.016 0.000 0.899 167 D CB -0.212 40.596 40.800 0.015 0.000 0.907 167 D HN 0.557 nan 8.370 nan 0.000 0.514 168 S N -0.762 114.933 115.700 -0.009 0.000 2.557 168 S HA 0.010 4.480 4.470 0.001 0.000 0.223 168 S C 0.483 175.062 174.600 -0.034 0.000 0.969 168 S CA -0.665 57.524 58.200 -0.020 0.000 0.927 168 S CB 0.183 63.371 63.200 -0.020 0.000 0.806 168 S HN 0.127 nan 8.310 nan 0.000 0.489 169 D N 3.315 123.691 120.400 -0.041 0.000 2.390 169 D HA 0.139 4.780 4.640 0.001 0.000 0.249 169 D C -1.385 174.886 176.300 -0.047 0.000 1.144 169 D CA -1.613 52.344 54.000 -0.071 0.000 0.880 169 D CB 1.721 42.461 40.800 -0.100 0.000 1.182 169 D HN 0.061 nan 8.370 nan 0.000 0.451 170 P HA -0.103 nan 4.420 nan 0.000 0.218 170 P C 1.710 178.991 177.300 -0.031 0.000 1.149 170 P CA 0.787 63.866 63.100 -0.035 0.000 0.817 170 P CB 0.306 31.983 31.700 -0.038 0.000 0.785 171 L N -1.209 120.001 121.223 -0.021 0.000 2.217 171 L HA -0.055 4.285 4.340 0.001 0.000 0.211 171 L C 2.576 179.425 176.870 -0.035 0.000 1.107 171 L CA 0.816 55.650 54.840 -0.010 0.000 0.783 171 L CB -0.902 41.185 42.059 0.046 0.000 0.919 171 L HN -0.161 nan 8.230 nan 0.000 0.442 172 V N 0.032 119.926 119.914 -0.034 0.000 2.453 172 V HA -0.202 3.918 4.120 0.001 0.000 0.247 172 V C 2.505 178.559 176.094 -0.067 0.000 1.048 172 V CA 1.446 63.708 62.300 -0.063 0.000 1.049 172 V CB -0.417 31.383 31.823 -0.038 0.000 0.672 172 V HN 0.408 nan 8.190 nan 0.000 0.457 173 K N -0.009 120.365 120.400 -0.043 0.000 2.063 173 K HA -0.131 4.189 4.320 0.001 0.000 0.208 173 K C 2.052 178.632 176.600 -0.034 0.000 1.048 173 K CA 1.596 57.862 56.287 -0.034 0.000 0.928 173 K CB -0.378 32.111 32.500 -0.018 0.000 0.713 173 K HN 0.406 nan 8.250 nan 0.000 0.442 174 I N 1.205 121.759 120.570 -0.027 0.000 2.226 174 I HA -0.259 3.911 4.170 0.001 0.000 0.245 174 I C 2.564 178.615 176.117 -0.109 0.000 1.100 174 I CA 1.005 62.297 61.300 -0.013 0.000 1.374 174 I CB -0.419 37.600 38.000 0.032 0.000 1.057 174 I HN 0.114 nan 8.210 nan 0.000 0.413 175 A N 0.884 123.615 122.820 -0.148 0.000 1.940 175 A HA -0.234 4.087 4.320 0.001 0.000 0.219 175 A C 2.296 179.751 177.584 -0.214 0.000 1.176 175 A CA 1.678 53.573 52.037 -0.237 0.000 0.631 175 A CB -0.435 18.420 19.000 -0.241 0.000 0.814 175 A HN 0.348 nan 8.150 nan 0.000 0.446 176 K N -0.338 119.978 120.400 -0.140 0.000 2.097 176 K HA -0.132 4.189 4.320 0.001 0.000 0.205 176 K C 1.929 178.468 176.600 -0.101 0.000 1.050 176 K CA 1.488 57.711 56.287 -0.107 0.000 0.938 176 K CB -0.162 32.297 32.500 -0.068 0.000 0.718 176 K HN 0.627 nan 8.250 nan 0.000 0.442 177 E N 0.831 120.977 120.200 -0.091 0.000 2.077 177 E HA -0.167 4.184 4.350 0.001 0.000 0.193 177 E C 2.038 178.536 176.600 -0.169 0.000 0.989 177 E CA 0.976 57.340 56.400 -0.060 0.000 0.800 177 E CB -0.140 29.579 29.700 0.033 0.000 0.746 177 E HN 0.266 nan 8.360 nan 0.000 0.452 178 I N 1.827 122.169 120.570 -0.379 0.000 2.208 178 I HA -0.284 3.886 4.170 0.001 0.000 0.245 178 I C 1.921 177.869 176.117 -0.282 0.000 1.097 178 I CA 0.819 61.770 61.300 -0.581 0.000 1.363 178 I CB -0.261 37.285 38.000 -0.757 0.000 1.051 178 I HN 0.085 nan 8.210 nan 0.000 0.413 179 N N 0.984 119.565 118.700 -0.199 0.000 2.223 179 N HA -0.158 4.582 4.740 0.001 0.000 0.185 179 N C 1.709 177.205 175.510 -0.023 0.000 1.016 179 N CA 1.105 54.107 53.050 -0.080 0.000 0.863 179 N CB -0.202 38.240 38.487 -0.076 0.000 0.983 179 N HN 0.379 nan 8.380 nan 0.000 0.429 180 K N 0.475 120.857 120.400 -0.030 0.000 2.097 180 K HA 0.006 4.326 4.320 0.001 0.000 0.206 180 K C 1.919 178.550 176.600 0.052 0.000 1.049 180 K CA 0.809 57.102 56.287 0.009 0.000 0.933 180 K CB -0.010 32.496 32.500 0.011 0.000 0.717 180 K HN 0.153 nan 8.250 nan 0.000 0.442 181 I N -0.850 119.761 120.570 0.067 0.000 2.480 181 I HA -0.167 4.004 4.170 0.001 0.000 0.251 181 I C 1.819 178.107 176.117 0.285 0.000 1.124 181 I CA 0.842 62.247 61.300 0.175 0.000 1.444 181 I CB 0.139 38.265 38.000 0.210 0.000 1.098 181 I HN 0.073 nan 8.210 nan 0.000 0.428 182 F N -0.572 119.324 119.950 -0.090 0.000 2.622 182 F HA 0.105 4.632 4.527 0.000 0.000 0.288 182 F C 1.796 177.479 175.800 -0.196 0.000 1.120 182 F CA 0.560 58.393 58.000 -0.279 0.000 1.423 182 F CB 0.375 38.959 39.000 -0.694 0.000 1.127 182 F HN -0.284 nan 8.300 nan 0.000 0.588 183 V N -0.334 119.570 119.914 -0.017 0.000 2.743 183 V HA -0.057 4.063 4.120 0.001 0.000 0.237 183 V C 2.071 178.132 176.094 -0.056 0.000 1.113 183 V CA 1.328 63.587 62.300 -0.067 0.000 1.141 183 V CB -0.253 31.588 31.823 0.030 0.000 0.873 183 V HN 0.261 nan 8.190 nan 0.000 0.486 184 E N 0.625 120.821 120.200 -0.006 0.000 2.077 184 E HA -0.165 4.185 4.350 0.001 0.000 0.193 184 E C 0.471 177.082 176.600 0.017 0.000 0.989 184 E CA 1.398 57.800 56.400 0.003 0.000 0.800 184 E CB 0.089 29.797 29.700 0.014 0.000 0.746 184 E HN 0.500 nan 8.360 nan 0.000 0.452 185 T N 4.486 119.077 114.554 0.061 0.000 3.145 185 T HA 0.252 4.602 4.350 0.001 0.000 0.362 185 T C -2.618 172.168 174.700 0.143 0.000 1.340 185 T CA -1.489 60.687 62.100 0.127 0.000 1.069 185 T CB 1.327 70.311 68.868 0.193 0.000 1.129 185 T HN 0.147 nan 8.240 nan 0.000 0.585 186 P HA -0.036 nan 4.420 nan 0.000 0.263 186 P C 0.439 177.429 177.300 -0.516 0.000 1.195 186 P CA -0.187 62.747 63.100 -0.277 0.000 0.762 186 P CB 0.699 32.264 31.700 -0.225 0.000 0.799 187 Y N 4.878 124.404 120.300 -1.289 0.000 2.139 187 Y HA -0.319 4.232 4.550 0.000 0.000 0.282 187 Y C 2.356 177.501 175.900 -1.259 0.000 1.179 187 Y CA 2.468 59.313 58.100 -2.093 0.000 1.161 187 Y CB -0.615 36.541 38.460 -2.173 0.000 0.970 187 Y HN 0.451 nan 8.280 nan 0.000 0.511 188 A N -1.201 121.149 122.820 -0.783 0.000 2.070 188 A HA -0.149 4.171 4.320 0.001 0.000 0.220 188 A C 2.201 179.524 177.584 -0.436 0.000 1.159 188 A CA 1.885 53.584 52.037 -0.562 0.000 0.656 188 A CB -0.740 18.067 19.000 -0.322 0.000 0.800 188 A HN 0.471 nan 8.150 nan 0.000 0.453 189 S N -1.534 113.954 115.700 -0.353 0.000 2.524 189 S HA 0.091 4.561 4.470 0.001 0.000 0.215 189 S C -0.172 174.396 174.600 -0.053 0.000 0.986 189 S CA -0.720 57.383 58.200 -0.161 0.000 0.911 189 S CB -0.113 63.040 63.200 -0.079 0.000 0.805 189 S HN 0.635 nan 8.310 nan 0.000 0.501 190 W N 3.848 124.893 121.300 -0.425 0.000 2.274 190 W HA 0.237 4.897 4.660 0.000 0.000 0.345 190 W C 1.040 177.413 176.519 -0.244 0.000 1.265 190 W CA -0.729 56.351 57.345 -0.442 0.000 1.293 190 W CB -0.623 28.279 29.460 -0.930 0.000 1.175 190 W HN 0.043 nan 8.180 nan 0.000 0.577 191 T N -1.461 113.201 114.554 0.181 0.000 2.940 191 T HA 0.231 4.581 4.350 0.001 0.000 0.288 191 T C 0.702 175.601 174.700 0.332 0.000 1.033 191 T CA -0.763 61.443 62.100 0.176 0.000 1.033 191 T CB 1.951 70.900 68.868 0.134 0.000 1.079 191 T HN 0.265 nan 8.240 nan 0.000 0.496 192 D N 0.571 121.169 120.400 0.330 0.000 2.190 192 D HA -0.134 4.506 4.640 0.001 0.000 0.200 192 D C 1.859 178.391 176.300 0.386 0.000 0.992 192 D CA 1.376 55.651 54.000 0.458 0.000 0.854 192 D CB 0.157 41.190 40.800 0.388 0.000 0.936 192 D HN 0.746 nan 8.370 nan 0.000 0.462 193 E N 0.156 120.512 120.200 0.261 0.000 2.140 193 E HA -0.042 4.308 4.350 0.001 0.000 0.191 193 E C 1.732 178.430 176.600 0.163 0.000 0.973 193 E CA 0.071 56.586 56.400 0.190 0.000 0.829 193 E CB -0.436 29.342 29.700 0.130 0.000 0.781 193 E HN 0.145 nan 8.360 nan 0.000 0.466 194 N N 1.411 120.213 118.700 0.171 0.000 2.049 194 N HA -0.178 4.562 4.740 0.001 0.000 0.198 194 N C 1.024 176.532 175.510 -0.003 0.000 1.030 194 N CA 1.487 54.612 53.050 0.126 0.000 0.870 194 N CB -0.335 38.328 38.487 0.295 0.000 1.045 194 N HN 0.270 nan 8.380 nan 0.000 0.434 195 H N -0.683 118.419 119.070 0.052 0.000 2.528 195 H HA 0.357 4.913 4.556 0.000 0.000 0.282 195 H C -0.436 175.089 175.328 0.328 0.000 1.097 195 H CA -0.264 55.813 56.048 0.049 0.000 1.121 195 H CB 0.306 29.928 29.762 -0.232 0.000 1.590 195 H HN 0.040 nan 8.280 nan 0.000 0.553 196 K N 0.294 120.906 120.400 0.352 0.000 3.419 196 K HA -0.215 4.105 4.320 0.001 0.000 0.272 196 K C -0.651 176.167 176.600 0.364 0.000 0.973 196 K CA 0.145 56.605 56.287 0.290 0.000 0.749 196 K CB -0.892 31.714 32.500 0.177 0.000 1.403 196 K HN 0.537 nan 8.250 nan 0.000 0.456 197 W N 2.864 124.314 121.300 0.250 0.000 2.308 197 W HA 0.045 4.705 4.660 0.000 0.000 0.324 197 W C 0.563 177.104 176.519 0.036 0.000 1.387 197 W CA 0.486 57.872 57.345 0.070 0.000 1.250 197 W CB 0.324 29.802 29.460 0.031 0.000 1.257 197 W HN 0.441 nan 8.180 nan 0.000 0.554 198 N N 4.145 122.391 118.700 -0.756 0.000 2.282 198 N HA 0.169 4.909 4.740 0.001 0.000 0.240 198 N C 0.990 176.109 175.510 -0.652 0.000 1.182 198 N CA 0.223 52.969 53.050 -0.507 0.000 0.874 198 N CB 0.369 38.660 38.487 -0.327 0.000 1.126 198 N HN 0.731 nan 8.380 nan 0.000 0.516 199 G N 0.527 108.625 108.800 -1.170 0.000 2.320 199 G HA2 -0.416 3.544 3.960 0.001 0.000 0.242 199 G HA3 -0.416 3.544 3.960 0.001 0.000 0.242 199 G C 0.945 175.477 174.900 -0.614 0.000 1.033 199 G CA 0.509 45.304 45.100 -0.509 0.000 0.620 199 G HN 0.550 nan 8.290 nan 0.000 0.517 200 N N -0.197 117.961 118.700 -0.902 0.000 2.607 200 N HA 0.359 5.100 4.740 0.001 0.000 0.207 200 N C 0.862 175.958 175.510 -0.689 0.000 1.040 200 N CA 2.023 54.735 53.050 -0.564 0.000 0.947 200 N CB 0.693 38.972 38.487 -0.345 0.000 1.293 200 N HN 1.310 nan 8.380 nan 0.000 0.446 201 V N -2.437 117.013 119.914 -0.774 0.000 3.160 201 V HA 0.538 4.659 4.120 0.001 0.000 0.310 201 V C -1.304 174.751 176.094 -0.064 0.000 1.181 201 V CA -1.093 61.094 62.300 -0.187 0.000 1.047 201 V CB 1.230 33.125 31.823 0.119 0.000 1.068 201 V HN 0.029 nan 8.190 nan 0.000 0.441 202 Y N 1.620 122.325 120.300 0.674 0.000 2.585 202 Y HA 0.354 4.904 4.550 0.001 0.000 0.354 202 Y C 1.665 177.880 175.900 0.525 0.000 1.024 202 Y CA 0.221 58.732 58.100 0.685 0.000 1.321 202 Y CB 0.891 39.842 38.460 0.818 0.000 1.151 202 Y HN 0.719 nan 8.280 nan 0.000 0.525 203 Q N 1.054 121.115 119.800 0.435 0.000 2.369 203 Q HA -0.121 4.219 4.340 0.001 0.000 0.206 203 Q C 2.027 178.235 176.000 0.346 0.000 0.963 203 Q CA 1.191 57.189 55.803 0.325 0.000 0.894 203 Q CB 0.108 28.918 28.738 0.121 0.000 0.965 203 Q HN 0.773 nan 8.270 nan 0.000 0.475 204 S N -0.107 115.767 115.700 0.290 0.000 2.555 204 S HA -0.048 4.422 4.470 0.001 0.000 0.230 204 S C 1.653 176.345 174.600 0.153 0.000 0.978 204 S CA 0.720 58.997 58.200 0.129 0.000 0.934 204 S CB -0.153 63.007 63.200 -0.067 0.000 0.766 204 S HN 0.303 nan 8.310 nan 0.000 0.533 205 V N -2.765 117.319 119.914 0.283 0.000 3.444 205 V HA 0.511 4.632 4.120 0.001 0.000 0.308 205 V C -0.351 175.764 176.094 0.035 0.000 1.371 205 V CA -0.825 61.598 62.300 0.204 0.000 1.141 205 V CB -1.595 30.430 31.823 0.336 0.000 1.037 205 V HN 0.379 nan 8.190 nan 0.000 0.433 206 Y N -0.054 120.333 120.300 0.145 0.000 2.524 206 Y HA 0.742 5.292 4.550 0.001 0.000 0.344 206 Y C -0.349 175.545 175.900 -0.011 0.000 1.012 206 Y CA -1.068 57.056 58.100 0.039 0.000 1.068 206 Y CB 1.849 40.308 38.460 -0.001 0.000 1.249 206 Y HN 0.079 nan 8.280 nan 0.000 0.468 207 D N 3.367 123.833 120.400 0.109 0.000 2.438 207 D HA 0.288 4.929 4.640 0.001 0.000 0.257 207 D C -2.154 174.150 176.300 0.008 0.000 1.148 207 D CA -2.652 51.373 54.000 0.043 0.000 0.902 207 D CB 1.496 42.303 40.800 0.012 0.000 1.062 207 D HN 0.142 nan 8.370 nan 0.000 0.518 208 P HA -0.096 nan 4.420 nan 0.000 0.226 208 P C 1.197 178.468 177.300 -0.048 0.000 1.153 208 P CA 0.833 63.903 63.100 -0.050 0.000 0.777 208 P CB -0.087 31.577 31.700 -0.059 0.000 0.794 209 T N -3.306 111.232 114.554 -0.027 0.000 3.072 209 T HA 0.048 4.398 4.350 0.001 0.000 0.266 209 T C 0.694 175.378 174.700 -0.027 0.000 1.127 209 T CA 0.278 62.365 62.100 -0.023 0.000 1.107 209 T CB -0.648 68.214 68.868 -0.010 0.000 0.910 209 T HN -0.145 nan 8.240 nan 0.000 0.513 210 V N 2.434 122.326 119.914 -0.037 0.000 2.407 210 V HA 0.409 4.530 4.120 0.001 0.000 0.291 210 V C -0.635 175.411 176.094 -0.079 0.000 1.018 210 V CA -1.072 61.205 62.300 -0.038 0.000 0.842 210 V CB 1.701 33.512 31.823 -0.020 0.000 0.996 210 V HN 0.284 nan 8.190 nan 0.000 0.426 211 Q N 3.202 122.953 119.800 -0.081 0.000 2.279 211 Q HA 0.608 4.948 4.340 0.001 0.000 0.256 211 Q C 0.050 175.960 176.000 -0.149 0.000 0.937 211 Q CA -0.103 55.619 55.803 -0.136 0.000 0.933 211 Q CB 1.965 30.635 28.738 -0.114 0.000 1.189 211 Q HN 0.870 nan 8.270 nan 0.000 0.417 212 A N 3.218 125.865 122.820 -0.289 0.000 2.290 212 A HA 0.225 4.545 4.320 0.001 0.000 0.310 212 A C 0.700 178.083 177.584 -0.334 0.000 1.202 212 A CA -0.473 51.331 52.037 -0.388 0.000 0.837 212 A CB 0.114 18.578 19.000 -0.894 0.000 1.139 212 A HN 0.909 nan 8.150 nan 0.000 0.509 213 N N 0.801 119.481 118.700 -0.034 0.000 2.575 213 N HA 0.141 4.882 4.740 0.001 0.000 0.192 213 N C -0.585 175.089 175.510 0.274 0.000 1.200 213 N CA 0.349 53.482 53.050 0.137 0.000 0.897 213 N CB -0.157 38.486 38.487 0.259 0.000 0.990 213 N HN 0.667 nan 8.380 nan 0.000 0.449 214 F N -1.713 118.296 119.950 0.100 0.000 2.817 214 F HA 0.451 4.978 4.527 0.001 0.000 0.317 214 F C -1.493 174.537 175.800 0.384 0.000 1.168 214 F CA -1.479 56.661 58.000 0.234 0.000 0.911 214 F CB 0.611 39.683 39.000 0.120 0.000 1.337 214 F HN -0.185 nan 8.300 nan 0.000 0.464 215 Y N -0.744 119.792 120.300 0.394 0.000 2.689 215 Y HA 0.909 5.460 4.550 0.001 0.000 0.333 215 Y C -1.520 174.623 175.900 0.405 0.000 1.190 215 Y CA -2.287 56.024 58.100 0.351 0.000 1.063 215 Y CB 1.395 40.108 38.460 0.421 0.000 1.294 215 Y HN 0.865 nan 8.280 nan 0.000 0.466 216 R N 0.210 120.828 120.500 0.196 0.000 2.836 216 R HA 0.701 5.041 4.340 0.001 0.000 0.269 216 R C -0.319 176.009 176.300 0.046 0.000 1.010 216 R CA -0.834 55.281 56.100 0.025 0.000 0.930 216 R CB 2.322 32.706 30.300 0.141 0.000 1.218 216 R HN 1.101 nan 8.270 nan 0.000 0.473 217 G N 0.686 109.477 108.800 -0.014 0.000 2.537 217 G HA2 0.660 4.621 3.960 0.001 0.000 0.297 217 G HA3 0.660 4.621 3.960 0.001 0.000 0.297 217 G C -0.387 174.520 174.900 0.011 0.000 1.310 217 G CA -0.603 44.528 45.100 0.051 0.000 1.027 217 G HN 0.584 nan 8.290 nan 0.000 0.505 218 M N -1.502 118.097 119.600 -0.003 0.000 2.603 218 M HA 0.626 5.106 4.480 0.001 0.000 0.275 218 M C -1.942 174.311 176.300 -0.080 0.000 1.226 218 M CA -0.807 54.417 55.300 -0.127 0.000 0.870 218 M CB 2.074 34.490 32.600 -0.306 0.000 1.716 218 M HN 0.279 nan 8.290 nan 0.000 0.482 219 I N 1.704 122.194 120.570 -0.132 0.000 2.378 219 I HA 0.485 4.655 4.170 0.001 0.000 0.291 219 I C -1.475 174.588 176.117 -0.089 0.000 0.992 219 I CA -0.250 61.084 61.300 0.057 0.000 1.154 219 I CB 1.296 39.377 38.000 0.136 0.000 1.315 219 I HN 0.676 nan 8.210 nan 0.000 0.448 220 W N 7.177 128.517 121.300 0.067 0.000 2.516 220 W HA 0.706 5.366 4.660 0.001 0.000 0.343 220 W C -0.108 176.403 176.519 -0.014 0.000 1.094 220 W CA -0.533 56.806 57.345 -0.011 0.000 1.250 220 W CB 1.214 30.669 29.460 -0.010 0.000 1.308 220 W HN 0.226 nan 8.180 nan 0.000 0.588 221 I N 0.020 120.729 120.570 0.232 0.000 2.865 221 I HA 0.671 4.841 4.170 0.001 0.000 0.302 221 I C -1.092 175.082 176.117 0.095 0.000 1.140 221 I CA -1.373 59.984 61.300 0.096 0.000 1.021 221 I CB 2.371 40.365 38.000 -0.009 0.000 1.233 221 I HN 0.337 nan 8.210 nan 0.000 0.427 222 K N 3.106 123.540 120.400 0.057 0.000 2.498 222 K HA 0.813 5.133 4.320 0.001 0.000 0.254 222 K C -0.987 175.666 176.600 0.089 0.000 0.933 222 K CA -0.309 56.014 56.287 0.059 0.000 0.806 222 K CB 2.575 35.090 32.500 0.026 0.000 1.301 222 K HN 1.177 nan 8.250 nan 0.000 0.432 223 G N 1.747 110.582 108.800 0.059 0.000 2.315 223 G HA2 0.084 4.045 3.960 0.001 0.000 0.294 223 G HA3 0.084 4.045 3.960 0.001 0.000 0.294 223 G C -1.487 173.426 174.900 0.022 0.000 1.300 223 G CA -0.850 44.297 45.100 0.077 0.000 0.843 223 G HN 0.732 nan 8.290 nan 0.000 0.527 224 N N -0.068 118.642 118.700 0.015 0.000 2.294 224 N HA 0.200 4.941 4.740 0.001 0.000 0.248 224 N C 0.565 176.066 175.510 -0.016 0.000 1.300 224 N CA 0.318 53.368 53.050 -0.001 0.000 0.925 224 N CB 0.369 38.858 38.487 0.002 0.000 1.188 224 N HN 0.354 nan 8.380 nan 0.000 0.512 225 D N -0.722 119.669 120.400 -0.014 0.000 2.116 225 D HA -0.234 4.407 4.640 0.001 0.000 0.193 225 D C 1.448 177.735 176.300 -0.022 0.000 0.998 225 D CA 1.733 55.722 54.000 -0.017 0.000 0.836 225 D CB -0.282 40.511 40.800 -0.011 0.000 0.951 225 D HN 0.864 nan 8.370 nan 0.000 0.449 226 E N 0.065 120.254 120.200 -0.017 0.000 2.072 226 E HA -0.119 4.232 4.350 0.001 0.000 0.191 226 E C 1.821 178.402 176.600 -0.032 0.000 0.985 226 E CA 1.568 57.961 56.400 -0.013 0.000 0.801 226 E CB -0.064 29.635 29.700 -0.002 0.000 0.750 226 E HN 0.074 nan 8.360 nan 0.000 0.452 227 T N 1.108 115.627 114.554 -0.058 0.000 2.777 227 T HA -0.090 4.261 4.350 0.001 0.000 0.266 227 T C 1.807 176.366 174.700 -0.235 0.000 1.040 227 T CA 1.248 63.261 62.100 -0.145 0.000 1.141 227 T CB -0.241 68.529 68.868 -0.164 0.000 0.868 227 T HN 0.134 nan 8.240 nan 0.000 0.444 228 L N 0.801 121.936 121.223 -0.147 0.000 2.042 228 L HA -0.155 4.185 4.340 0.001 0.000 0.210 228 L C 3.026 179.832 176.870 -0.107 0.000 1.076 228 L CA 1.374 56.132 54.840 -0.135 0.000 0.749 228 L CB -0.662 41.356 42.059 -0.068 0.000 0.893 228 L HN 0.260 nan 8.230 nan 0.000 0.432 229 A N -0.324 122.459 122.820 -0.061 0.000 1.930 229 A HA -0.184 4.136 4.320 0.001 0.000 0.217 229 A C 2.331 179.918 177.584 0.004 0.000 1.175 229 A CA 1.398 53.426 52.037 -0.015 0.000 0.627 229 A CB -0.287 18.713 19.000 0.002 0.000 0.815 229 A HN 0.293 nan 8.150 nan 0.000 0.443 230 K N -0.500 119.888 120.400 -0.020 0.000 2.097 230 K HA -0.043 4.277 4.320 0.001 0.000 0.206 230 K C 1.770 178.394 176.600 0.039 0.000 1.049 230 K CA 1.425 57.747 56.287 0.057 0.000 0.933 230 K CB -0.324 32.262 32.500 0.143 0.000 0.717 230 K HN 0.546 nan 8.250 nan 0.000 0.442 231 I N 1.243 121.663 120.570 -0.249 0.000 2.252 231 I HA -0.272 3.899 4.170 0.001 0.000 0.245 231 I C 2.130 178.356 176.117 0.182 0.000 1.102 231 I CA 1.304 62.476 61.300 -0.213 0.000 1.385 231 I CB -0.129 37.574 38.000 -0.495 0.000 1.064 231 I HN 0.094 nan 8.210 nan 0.000 0.414 232 K N 0.795 121.258 120.400 0.105 0.000 2.097 232 K HA -0.197 4.123 4.320 0.001 0.000 0.205 232 K C 2.171 178.937 176.600 0.276 0.000 1.050 232 K CA 0.925 57.327 56.287 0.192 0.000 0.938 232 K CB -0.189 32.359 32.500 0.080 0.000 0.718 232 K HN 0.249 nan 8.250 nan 0.000 0.442 233 K N 1.583 122.107 120.400 0.206 0.000 2.032 233 K HA -0.147 4.174 4.320 0.001 0.000 0.209 233 K C 2.084 178.854 176.600 0.283 0.000 1.048 233 K CA 1.549 57.961 56.287 0.208 0.000 0.927 233 K CB -0.154 32.441 32.500 0.157 0.000 0.712 233 K HN 0.077 nan 8.250 nan 0.000 0.441 234 A N 1.609 124.652 122.820 0.372 0.000 1.972 234 A HA -0.179 4.141 4.320 0.001 0.000 0.219 234 A C 2.033 179.952 177.584 0.558 0.000 1.169 234 A CA 1.191 53.506 52.037 0.464 0.000 0.635 234 A CB -1.108 18.242 19.000 0.583 0.000 0.810 234 A HN 0.763 nan 8.150 nan 0.000 0.446 235 W N 1.196 122.727 121.300 0.384 0.000 2.379 235 W HA -0.162 4.498 4.660 0.001 0.000 0.307 235 W C 1.494 178.125 176.519 0.186 0.000 1.200 235 W CA 1.811 59.285 57.345 0.215 0.000 1.297 235 W CB -0.392 29.133 29.460 0.108 0.000 1.140 235 W HN 0.383 nan 8.180 nan 0.000 0.507 236 N N 0.788 119.680 118.700 0.321 0.000 2.244 236 N HA -0.145 4.596 4.740 0.001 0.000 0.183 236 N C 0.887 176.419 175.510 0.037 0.000 1.016 236 N CA 1.577 54.717 53.050 0.150 0.000 0.866 236 N CB -0.743 37.856 38.487 0.186 0.000 0.980 236 N HN 0.137 nan 8.380 nan 0.000 0.430 237 D N 0.838 121.294 120.400 0.092 0.000 2.363 237 D HA 0.017 4.657 4.640 0.001 0.000 0.220 237 D C 0.171 176.490 176.300 0.033 0.000 0.994 237 D CA 0.253 54.292 54.000 0.065 0.000 0.890 237 D CB 0.030 40.901 40.800 0.118 0.000 0.906 237 D HN 0.201 nan 8.370 nan 0.000 0.530 238 K N 0.798 121.183 120.400 -0.025 0.000 3.077 238 K HA -0.198 4.123 4.320 0.001 0.000 0.264 238 K C -0.444 176.390 176.600 0.389 0.000 1.008 238 K CA 0.434 56.695 56.287 -0.044 0.000 0.740 238 K CB -1.287 31.024 32.500 -0.315 0.000 1.273 238 K HN 0.126 nan 8.250 nan 0.000 0.477 239 D N 0.644 121.312 120.400 0.447 0.000 2.453 239 D HA 0.006 4.646 4.640 0.001 0.000 0.223 239 D C 0.914 177.444 176.300 0.382 0.000 1.183 239 D CA -0.446 53.769 54.000 0.358 0.000 0.933 239 D CB 0.040 40.987 40.800 0.246 0.000 1.038 239 D HN 0.386 nan 8.370 nan 0.000 0.513 240 W N 4.348 125.704 121.300 0.092 0.000 2.354 240 W HA -0.219 4.441 4.660 0.000 0.000 0.315 240 W C 0.978 177.424 176.519 -0.122 0.000 1.206 240 W CA 0.754 57.935 57.345 -0.273 0.000 1.290 240 W CB -0.084 29.271 29.460 -0.174 0.000 1.152 240 W HN 0.356 nan 8.180 nan 0.000 0.489 241 N N -0.247 118.337 118.700 -0.193 0.000 2.104 241 N HA -0.186 4.554 4.740 0.001 0.000 0.190 241 N C 1.731 177.016 175.510 -0.374 0.000 1.024 241 N CA 3.213 56.035 53.050 -0.380 0.000 0.853 241 N CB -0.492 37.902 38.487 -0.155 0.000 1.008 241 N HN -0.046 nan 8.380 nan 0.000 0.424 242 T N -0.420 114.024 114.554 -0.184 0.000 2.777 242 T HA -0.102 4.248 4.350 0.001 0.000 0.266 242 T C 1.497 176.111 174.700 -0.144 0.000 1.040 242 T CA 0.810 62.800 62.100 -0.183 0.000 1.141 242 T CB -0.416 68.448 68.868 -0.007 0.000 0.868 242 T HN 0.240 nan 8.240 nan 0.000 0.444 243 F N 2.276 122.149 119.950 -0.128 0.000 2.051 243 F HA -0.063 4.464 4.527 0.001 0.000 0.296 243 F C 2.671 178.317 175.800 -0.256 0.000 1.122 243 F CA 1.367 59.380 58.000 0.022 0.000 1.201 243 F CB -0.135 38.897 39.000 0.053 0.000 0.978 243 F HN -0.141 nan 8.300 nan 0.000 0.472 244 R N 0.715 120.802 120.500 -0.689 0.000 2.105 244 R HA -0.187 4.153 4.340 0.001 0.000 0.239 244 R C 1.584 177.481 176.300 -0.671 0.000 1.135 244 R CA 1.703 57.244 56.100 -0.931 0.000 0.967 244 R CB -0.787 28.609 30.300 -1.507 0.000 0.861 244 R HN 0.310 nan 8.270 nan 0.000 0.442 245 N N 0.215 118.554 118.700 -0.601 0.000 2.520 245 N HA -0.110 4.630 4.740 0.001 0.000 0.185 245 N C 1.055 176.249 175.510 -0.526 0.000 1.068 245 N CA 0.664 53.395 53.050 -0.533 0.000 0.911 245 N CB -0.310 37.874 38.487 -0.504 0.000 0.961 245 N HN 0.171 nan 8.380 nan 0.000 0.446 246 F N 0.499 120.205 119.950 -0.406 0.000 2.546 246 F HA 0.128 4.655 4.527 0.000 0.000 0.298 246 F C 1.481 177.131 175.800 -0.249 0.000 1.120 246 F CA 0.562 58.368 58.000 -0.323 0.000 1.456 246 F CB -0.382 38.397 39.000 -0.369 0.000 1.088 246 F HN -0.028 nan 8.300 nan 0.000 0.572 247 G N 1.221 109.852 108.800 -0.281 0.000 3.421 247 G HA2 -0.147 3.813 3.960 0.001 0.000 0.686 247 G HA3 -0.147 3.813 3.960 0.001 0.000 0.686 247 G C -0.859 174.031 174.900 -0.018 0.000 1.056 247 G CA -0.937 43.931 45.100 -0.386 0.000 0.891 247 G HN 0.132 nan 8.290 nan 0.000 0.514 248 I N 2.921 123.471 120.570 -0.034 0.000 2.362 248 I HA 0.410 4.580 4.170 0.001 0.000 0.289 248 I C 0.737 176.839 176.117 -0.025 0.000 0.994 248 I CA -0.881 60.347 61.300 -0.119 0.000 1.158 248 I CB 1.492 39.284 38.000 -0.346 0.000 1.315 248 I HN 0.348 nan 8.210 nan 0.000 0.451 249 L N 7.018 128.142 121.223 -0.165 0.000 2.292 249 L HA 0.427 4.768 4.340 0.001 0.000 0.284 249 L C -0.398 176.294 176.870 -0.298 0.000 1.065 249 L CA -0.433 54.234 54.840 -0.287 0.000 0.806 249 L CB 0.655 42.545 42.059 -0.282 0.000 1.175 249 L HN 0.700 nan 8.230 nan 0.000 0.431 250 H N 0.883 119.869 119.070 -0.139 0.000 2.977 250 H HA 0.781 5.337 4.556 0.001 0.000 0.350 250 H C -0.196 175.257 175.328 0.208 0.000 1.238 250 H CA -0.650 55.417 56.048 0.032 0.000 1.124 250 H CB 1.157 31.029 29.762 0.183 0.000 1.866 250 H HN 0.497 nan 8.280 nan 0.000 0.550 251 G N -0.074 109.042 108.800 0.526 0.000 2.641 251 G HA2 0.323 4.284 3.960 0.001 0.000 0.239 251 G HA3 0.323 4.284 3.960 0.001 0.000 0.239 251 G C -0.699 174.476 174.900 0.458 0.000 1.402 251 G CA -1.267 44.052 45.100 0.365 0.000 1.046 251 G HN 0.628 nan 8.290 nan 0.000 0.565 252 K N -0.113 120.433 120.400 0.243 0.000 2.414 252 K HA 0.046 4.366 4.320 0.001 0.000 0.272 252 K C 0.483 177.040 176.600 -0.072 0.000 0.993 252 K CA -0.211 56.142 56.287 0.109 0.000 0.964 252 K CB 0.828 33.380 32.500 0.087 0.000 0.925 252 K HN 0.288 nan 8.250 nan 0.000 0.487 253 D N 1.533 121.715 120.400 -0.364 0.000 2.228 253 D HA -0.160 4.480 4.640 0.001 0.000 0.203 253 D C 1.132 177.218 176.300 -0.358 0.000 0.988 253 D CA 1.368 54.879 54.000 -0.814 0.000 0.864 253 D CB -0.035 40.476 40.800 -0.482 0.000 0.928 253 D HN 0.544 nan 8.370 nan 0.000 0.469 254 N N -0.909 117.738 118.700 -0.088 0.000 2.270 254 N HA -0.021 4.719 4.740 0.001 0.000 0.198 254 N C -0.034 175.522 175.510 0.077 0.000 1.117 254 N CA -0.149 52.928 53.050 0.044 0.000 0.845 254 N CB 0.077 38.639 38.487 0.124 0.000 0.980 254 N HN -0.174 nan 8.380 nan 0.000 0.486 255 S N -0.531 115.236 115.700 0.111 0.000 2.548 255 S HA 0.281 4.751 4.470 0.001 0.000 0.277 255 S C 0.906 175.643 174.600 0.229 0.000 1.315 255 S CA -0.510 57.784 58.200 0.157 0.000 1.050 255 S CB 0.697 64.029 63.200 0.221 0.000 0.918 255 S HN 0.271 nan 8.310 nan 0.000 0.497 256 S N 3.329 119.151 115.700 0.203 0.000 2.335 256 S HA -0.084 4.386 4.470 0.001 0.000 0.217 256 S C 2.101 176.814 174.600 0.188 0.000 1.032 256 S CA 1.369 59.703 58.200 0.224 0.000 0.985 256 S CB -0.488 62.862 63.200 0.250 0.000 0.896 256 S HN 0.964 nan 8.310 nan 0.000 0.445 257 S N 0.923 116.756 115.700 0.221 0.000 2.527 257 S HA 0.187 4.657 4.470 0.001 0.000 0.222 257 S C 1.019 175.772 174.600 0.254 0.000 0.985 257 S CA 0.291 58.613 58.200 0.203 0.000 0.921 257 S CB -0.144 63.274 63.200 0.364 0.000 0.772 257 S HN 0.344 nan 8.310 nan 0.000 0.529 258 K N -0.729 119.863 120.400 0.320 0.000 2.478 258 K HA 0.423 4.743 4.320 0.001 0.000 0.205 258 K C -0.174 176.792 176.600 0.611 0.000 1.033 258 K CA -0.132 56.416 56.287 0.434 0.000 1.091 258 K CB 0.442 33.175 32.500 0.388 0.000 0.844 258 K HN 0.390 nan 8.250 nan 0.000 0.507 259 F N -0.514 119.599 119.950 0.271 0.000 1.759 259 F HA 0.134 4.661 4.527 0.001 0.000 0.239 259 F C 0.832 176.694 175.800 0.103 0.000 1.234 259 F CA 0.031 58.210 58.000 0.298 0.000 1.313 259 F CB 0.553 39.719 39.000 0.278 0.000 1.912 259 F HN -0.335 nan 8.300 nan 0.000 0.254 260 K N 1.036 121.657 120.400 0.369 0.000 2.057 260 K HA 0.026 4.346 4.320 0.001 0.000 0.206 260 K C 1.802 178.414 176.600 0.019 0.000 1.050 260 K CA 1.897 58.318 56.287 0.222 0.000 0.935 260 K CB -0.239 32.408 32.500 0.246 0.000 0.715 260 K HN 0.297 nan 8.250 nan 0.000 0.439 261 L N 0.555 121.768 121.223 -0.017 0.000 2.141 261 L HA -0.172 4.168 4.340 0.001 0.000 0.209 261 L C 1.919 178.690 176.870 -0.164 0.000 1.094 261 L CA 1.152 55.940 54.840 -0.087 0.000 0.763 261 L CB -0.207 41.805 42.059 -0.079 0.000 0.908 261 L HN 0.143 nan 8.230 nan 0.000 0.437 262 E N -0.043 119.968 120.200 -0.315 0.000 2.107 262 E HA -0.233 4.117 4.350 0.001 0.000 0.191 262 E C 1.991 178.388 176.600 -0.339 0.000 0.982 262 E CA 0.915 57.001 56.400 -0.523 0.000 0.809 262 E CB -0.046 28.780 29.700 -1.456 0.000 0.756 262 E HN 0.393 nan 8.360 nan 0.000 0.459 263 E N 0.196 120.223 120.200 -0.288 0.000 2.085 263 E HA -0.223 4.127 4.350 0.001 0.000 0.194 263 E C 1.534 178.134 176.600 0.001 0.000 0.994 263 E CA 1.704 58.057 56.400 -0.078 0.000 0.801 263 E CB -0.008 29.651 29.700 -0.070 0.000 0.743 263 E HN 0.163 nan 8.360 nan 0.000 0.453 264 T N 1.391 115.907 114.554 -0.064 0.000 2.708 264 T HA -0.130 4.220 4.350 0.001 0.000 0.266 264 T C 1.809 176.427 174.700 -0.136 0.000 1.037 264 T CA 1.210 63.256 62.100 -0.091 0.000 1.146 264 T CB -0.079 68.727 68.868 -0.103 0.000 0.865 264 T HN 0.169 nan 8.240 nan 0.000 0.435 265 I N 1.098 121.590 120.570 -0.130 0.000 2.226 265 I HA -0.060 4.110 4.170 0.001 0.000 0.245 265 I C 2.312 178.367 176.117 -0.103 0.000 1.100 265 I CA 1.179 62.358 61.300 -0.201 0.000 1.374 265 I CB -1.279 36.684 38.000 -0.061 0.000 1.057 265 I HN 0.280 nan 8.210 nan 0.000 0.413 266 L N 0.124 121.417 121.223 0.117 0.000 2.046 266 L HA -0.214 4.127 4.340 0.001 0.000 0.208 266 L C 2.597 179.625 176.870 0.263 0.000 1.077 266 L CA 1.295 56.351 54.840 0.360 0.000 0.747 266 L CB -0.575 41.749 42.059 0.443 0.000 0.896 266 L HN 0.216 nan 8.230 nan 0.000 0.432 267 K N 0.106 120.542 120.400 0.060 0.000 2.057 267 K HA -0.154 4.166 4.320 0.001 0.000 0.206 267 K C 1.866 178.310 176.600 -0.259 0.000 1.050 267 K CA 1.360 57.481 56.287 -0.276 0.000 0.935 267 K CB 0.073 32.389 32.500 -0.307 0.000 0.715 267 K HN 0.248 nan 8.250 nan 0.000 0.439 268 N N -0.132 118.413 118.700 -0.259 0.000 2.270 268 N HA -0.137 4.604 4.740 0.001 0.000 0.181 268 N C 1.560 176.898 175.510 -0.286 0.000 1.016 268 N CA 1.062 53.933 53.050 -0.300 0.000 0.870 268 N CB -0.215 37.995 38.487 -0.462 0.000 0.979 268 N HN 0.342 nan 8.380 nan 0.000 0.431 269 H N -0.842 117.957 119.070 -0.451 0.000 2.355 269 H HA 0.184 4.740 4.556 0.001 0.000 0.303 269 H C -0.072 174.888 175.328 -0.612 0.000 1.061 269 H CA 0.942 56.660 56.048 -0.550 0.000 1.368 269 H CB -0.068 29.129 29.762 -0.941 0.000 1.412 269 H HN 0.008 nan 8.280 nan 0.000 0.523 270 F N 2.839 122.625 119.950 -0.273 0.000 2.660 270 F HA 0.182 4.710 4.527 0.001 0.000 0.342 270 F C 0.157 175.792 175.800 -0.275 0.000 1.195 270 F CA -0.578 57.280 58.000 -0.237 0.000 1.300 270 F CB -0.152 38.823 39.000 -0.043 0.000 1.616 270 F HN 0.089 nan 8.300 nan 0.000 0.592 271 Q N 2.206 121.893 119.800 -0.187 0.000 2.436 271 Q HA -0.153 4.188 4.340 0.001 0.000 0.326 271 Q C 0.521 176.423 176.000 -0.164 0.000 1.079 271 Q CA 0.513 56.202 55.803 -0.190 0.000 1.049 271 Q CB 0.019 28.656 28.738 -0.168 0.000 1.047 271 Q HN 0.587 nan 8.270 nan 0.000 0.386 272 N N 1.488 120.056 118.700 -0.220 0.000 2.714 272 N HA -0.178 4.562 4.740 0.001 0.000 0.250 272 N C 0.037 175.466 175.510 -0.135 0.000 1.117 272 N CA 0.895 53.838 53.050 -0.178 0.000 0.719 272 N CB -0.446 37.977 38.487 -0.107 0.000 1.081 272 N HN 0.557 nan 8.380 nan 0.000 0.557 273 K N -0.461 119.838 120.400 -0.169 0.000 2.354 273 K HA 0.180 4.500 4.320 0.001 0.000 0.194 273 K C 0.814 177.423 176.600 0.014 0.000 1.045 273 K CA 0.582 56.860 56.287 -0.015 0.000 1.026 273 K CB 0.437 33.010 32.500 0.121 0.000 0.866 273 K HN 0.427 nan 8.250 nan 0.000 0.530 274 F N -2.176 117.611 119.950 -0.272 0.000 2.685 274 F HA 0.319 4.847 4.527 0.001 0.000 0.315 274 F C 1.010 176.728 175.800 -0.136 0.000 1.126 274 F CA -0.896 56.991 58.000 -0.189 0.000 0.950 274 F CB 0.729 39.538 39.000 -0.318 0.000 1.360 274 F HN -0.166 nan 8.300 nan 0.000 0.469 275 T N -2.433 112.142 114.554 0.036 0.000 2.988 275 T HA 0.326 4.676 4.350 0.001 0.000 0.240 275 T C 0.611 175.305 174.700 -0.009 0.000 1.014 275 T CA 1.073 63.121 62.100 -0.086 0.000 1.155 275 T CB -0.291 68.580 68.868 0.005 0.000 0.872 275 T HN 1.060 nan 8.240 nan 0.000 0.440 276 T N -1.375 113.336 114.554 0.263 0.000 2.883 276 T HA 0.606 4.957 4.350 0.001 0.000 0.301 276 T C 0.750 175.686 174.700 0.394 0.000 1.158 276 T CA -0.935 61.354 62.100 0.314 0.000 1.007 276 T CB 1.467 70.448 68.868 0.188 0.000 1.186 276 T HN 0.043 nan 8.240 nan 0.000 0.499 277 L N 0.967 122.368 121.223 0.298 0.000 2.131 277 L HA -0.061 4.279 4.340 0.001 0.000 0.210 277 L C 2.319 179.223 176.870 0.057 0.000 1.092 277 L CA 1.071 55.970 54.840 0.098 0.000 0.759 277 L CB -0.556 41.481 42.059 -0.036 0.000 0.903 277 L HN 0.664 nan 8.230 nan 0.000 0.435 278 N N 0.414 119.216 118.700 0.169 0.000 2.142 278 N HA -0.193 4.547 4.740 0.001 0.000 0.186 278 N C 1.711 177.252 175.510 0.051 0.000 1.023 278 N CA 1.528 54.627 53.050 0.080 0.000 0.852 278 N CB -0.121 38.423 38.487 0.095 0.000 0.998 278 N HN 0.510 nan 8.380 nan 0.000 0.424 279 E N 0.623 120.887 120.200 0.106 0.000 2.072 279 E HA -0.160 4.190 4.350 0.001 0.000 0.191 279 E C 1.397 178.082 176.600 0.141 0.000 0.985 279 E CA 1.543 58.009 56.400 0.111 0.000 0.801 279 E CB -0.594 29.184 29.700 0.131 0.000 0.750 279 E HN 0.283 nan 8.360 nan 0.000 0.452 280 D N 0.371 120.890 120.400 0.198 0.000 2.123 280 D HA -0.211 4.429 4.640 0.001 0.000 0.196 280 D C 2.125 178.599 176.300 0.291 0.000 0.992 280 D CA 1.723 55.922 54.000 0.331 0.000 0.833 280 D CB -0.093 40.934 40.800 0.378 0.000 0.954 280 D HN 0.220 nan 8.370 nan 0.000 0.455 281 R N -0.145 120.326 120.500 -0.049 0.000 2.096 281 R HA -0.085 4.255 4.340 0.001 0.000 0.235 281 R C 2.061 178.378 176.300 0.028 0.000 1.127 281 R CA 1.465 57.444 56.100 -0.201 0.000 0.968 281 R CB -0.247 29.708 30.300 -0.574 0.000 0.861 281 R HN 0.045 nan 8.270 nan 0.000 0.440 282 S N -0.120 115.590 115.700 0.017 0.000 2.400 282 S HA -0.104 4.366 4.470 0.001 0.000 0.232 282 S C 1.651 176.242 174.600 -0.015 0.000 1.025 282 S CA 1.287 59.495 58.200 0.014 0.000 0.993 282 S CB 0.025 63.237 63.200 0.020 0.000 0.808 282 S HN 0.596 nan 8.310 nan 0.000 0.478 283 A N -0.110 122.678 122.820 -0.054 0.000 2.169 283 A HA 0.211 4.531 4.320 0.001 0.000 0.210 283 A C 0.323 177.577 177.584 -0.549 0.000 1.168 283 A CA 0.245 52.107 52.037 -0.292 0.000 0.813 283 A CB -0.029 18.760 19.000 -0.352 0.000 0.861 283 A HN 0.557 nan 8.150 nan 0.000 0.481 284 H N -0.937 118.209 119.070 0.127 0.000 2.511 284 H HA 0.213 4.769 4.556 0.000 0.000 0.228 284 H C -2.115 173.339 175.328 0.210 0.000 1.424 284 H CA -1.208 54.924 56.048 0.140 0.000 1.321 284 H CB 0.717 30.567 29.762 0.146 0.000 1.720 284 H HN 0.235 nan 8.280 nan 0.000 0.512 285 P HA -0.144 nan 4.420 nan 0.000 0.218 285 P C 0.778 178.232 177.300 0.258 0.000 1.149 285 P CA 0.969 64.206 63.100 0.228 0.000 0.817 285 P CB 0.605 32.382 31.700 0.127 0.000 0.785 286 N N 0.053 118.861 118.700 0.180 0.000 2.571 286 N HA 0.006 4.746 4.740 0.001 0.000 0.189 286 N C 1.462 177.029 175.510 0.095 0.000 1.154 286 N CA 0.653 53.786 53.050 0.139 0.000 0.907 286 N CB -0.202 38.316 38.487 0.052 0.000 0.977 286 N HN 0.163 nan 8.380 nan 0.000 0.449 287 A N -0.650 122.233 122.820 0.106 0.000 2.275 287 A HA 0.152 4.472 4.320 0.001 0.000 0.212 287 A C -0.259 177.250 177.584 -0.125 0.000 1.201 287 A CA 0.182 52.130 52.037 -0.148 0.000 0.843 287 A CB 0.090 18.912 19.000 -0.296 0.000 0.873 287 A HN 0.142 nan 8.150 nan 0.000 0.492 288 Y N -1.084 119.415 120.300 0.331 0.000 2.477 288 Y HA 0.613 5.164 4.550 0.000 0.000 0.347 288 Y C -0.063 176.007 175.900 0.283 0.000 0.981 288 Y CA -0.863 57.460 58.100 0.373 0.000 1.033 288 Y CB 1.926 40.575 38.460 0.314 0.000 1.245 288 Y HN 0.051 nan 8.280 nan 0.000 0.455 289 K N 2.041 122.516 120.400 0.126 0.000 2.525 289 K HA 0.250 4.571 4.320 0.001 0.000 0.254 289 K C -1.517 174.752 176.600 -0.552 0.000 0.934 289 K CA -0.791 55.339 56.287 -0.262 0.000 0.802 289 K CB 1.935 33.978 32.500 -0.763 0.000 1.295 289 K HN 0.786 nan 8.250 nan 0.000 0.433 290 Q N 4.176 123.689 119.800 -0.477 0.000 2.369 290 Q HA 0.174 4.514 4.340 0.001 0.000 0.247 290 Q C -1.333 174.474 176.000 -0.321 0.000 1.083 290 Q CA 0.338 55.818 55.803 -0.537 0.000 0.905 290 Q CB 0.571 29.180 28.738 -0.214 0.000 1.305 290 Q HN 0.436 nan 8.270 nan 0.000 0.465 291 K N 1.184 121.390 120.400 -0.323 0.000 2.575 291 K HA 0.259 4.579 4.320 0.001 0.000 0.279 291 K C -1.329 175.166 176.600 -0.173 0.000 0.969 291 K CA -0.591 55.560 56.287 -0.227 0.000 0.868 291 K CB 2.114 34.448 32.500 -0.277 0.000 1.457 291 K HN 0.481 nan 8.250 nan 0.000 0.426 292 S N 0.933 116.551 115.700 -0.136 0.000 2.576 292 S HA 0.249 4.719 4.470 0.001 0.000 0.276 292 S C 1.086 175.579 174.600 -0.180 0.000 1.339 292 S CA 0.434 58.571 58.200 -0.105 0.000 1.039 292 S CB 1.208 64.350 63.200 -0.097 0.000 0.902 292 S HN 0.665 nan 8.310 nan 0.000 0.516 293 A N 3.086 125.817 122.820 -0.149 0.000 2.070 293 A HA -0.082 4.239 4.320 0.001 0.000 0.220 293 A C 1.498 178.749 177.584 -0.556 0.000 1.159 293 A CA 1.724 53.607 52.037 -0.256 0.000 0.656 293 A CB -0.797 18.119 19.000 -0.139 0.000 0.800 293 A HN 0.978 nan 8.150 nan 0.000 0.453 294 D N -0.750 119.229 120.400 -0.702 0.000 2.363 294 D HA -0.075 4.566 4.640 0.001 0.000 0.226 294 D C 1.236 177.136 176.300 -0.667 0.000 1.020 294 D CA 1.296 54.573 54.000 -1.205 0.000 0.892 294 D CB -0.931 39.031 40.800 -1.397 0.000 0.900 294 D HN 0.425 nan 8.370 nan 0.000 0.531 295 T N -2.809 111.490 114.554 -0.426 0.000 3.069 295 T HA 0.121 4.471 4.350 0.001 0.000 0.252 295 T C 1.522 176.068 174.700 -0.257 0.000 1.053 295 T CA -0.387 61.538 62.100 -0.292 0.000 0.964 295 T CB -0.280 68.453 68.868 -0.225 0.000 1.005 295 T HN 0.061 nan 8.240 nan 0.000 0.532 296 L N 2.310 123.357 121.223 -0.292 0.000 2.127 296 L HA 0.236 4.576 4.340 0.001 0.000 0.211 296 L C 2.415 179.181 176.870 -0.173 0.000 1.089 296 L CA 1.948 56.655 54.840 -0.221 0.000 0.757 296 L CB -1.055 40.876 42.059 -0.214 0.000 0.899 296 L HN 0.394 nan 8.230 nan 0.000 0.434 297 G N -2.000 106.697 108.800 -0.172 0.000 2.498 297 G HA2 -0.252 3.709 3.960 0.001 0.000 0.219 297 G HA3 -0.252 3.709 3.960 0.001 0.000 0.219 297 G C 1.413 176.250 174.900 -0.106 0.000 1.119 297 G CA 1.072 46.100 45.100 -0.121 0.000 0.766 297 G HN 0.538 nan 8.290 nan 0.000 0.552 298 T N -1.705 112.779 114.554 -0.118 0.000 3.081 298 T HA 0.385 4.735 4.350 0.001 0.000 0.250 298 T C 0.753 175.405 174.700 -0.080 0.000 1.100 298 T CA -0.266 61.777 62.100 -0.094 0.000 1.038 298 T CB -0.022 68.787 68.868 -0.098 0.000 0.962 298 T HN 0.046 nan 8.240 nan 0.000 0.516 299 L N 2.104 123.276 121.223 -0.086 0.000 2.276 299 L HA 0.464 4.804 4.340 0.001 0.000 0.286 299 L C 0.301 177.136 176.870 -0.058 0.000 1.024 299 L CA -0.780 54.041 54.840 -0.033 0.000 0.826 299 L CB 1.414 43.476 42.059 0.005 0.000 1.211 299 L HN -0.071 nan 8.230 nan 0.000 0.422 300 D N 0.523 120.898 120.400 -0.042 0.000 2.269 300 D HA -0.119 4.521 4.640 0.001 0.000 0.208 300 D C 1.148 177.376 176.300 -0.121 0.000 0.963 300 D CA 1.091 55.048 54.000 -0.071 0.000 0.864 300 D CB 0.284 41.071 40.800 -0.021 0.000 0.936 300 D HN 0.485 nan 8.370 nan 0.000 0.505 301 D N -1.256 119.088 120.400 -0.092 0.000 2.347 301 D HA 0.057 4.698 4.640 0.001 0.000 0.213 301 D C -0.313 175.660 176.300 -0.545 0.000 0.985 301 D CA 0.288 54.164 54.000 -0.206 0.000 0.879 301 D CB 0.232 40.947 40.800 -0.143 0.000 0.919 301 D HN 0.136 nan 8.370 nan 0.000 0.526 302 F N -1.375 118.351 119.950 -0.374 0.000 2.540 302 F HA 0.330 4.858 4.527 0.001 0.000 0.317 302 F C 0.524 175.947 175.800 -0.628 0.000 1.104 302 F CA -0.783 57.015 58.000 -0.337 0.000 0.913 302 F CB 1.745 40.606 39.000 -0.231 0.000 1.170 302 F HN -0.167 nan 8.300 nan 0.000 0.450 303 H N 1.926 121.014 119.070 0.031 0.000 3.230 303 H HA 0.471 5.027 4.556 0.001 0.000 0.259 303 H C -0.769 174.517 175.328 -0.070 0.000 1.195 303 H CA -0.040 55.986 56.048 -0.037 0.000 1.112 303 H CB 0.551 30.249 29.762 -0.107 0.000 1.638 303 H HN 0.296 nan 8.280 nan 0.000 0.624 304 I N 0.791 121.379 120.570 0.031 0.000 2.647 304 I HA 0.704 4.874 4.170 0.001 0.000 0.295 304 I C -0.754 175.372 176.117 0.014 0.000 1.078 304 I CA -1.021 60.281 61.300 0.003 0.000 1.048 304 I CB 2.239 40.167 38.000 -0.119 0.000 1.239 304 I HN 0.130 nan 8.210 nan 0.000 0.421 305 A N 4.790 127.686 122.820 0.127 0.000 2.549 305 A HA 0.854 5.174 4.320 0.001 0.000 0.297 305 A C -1.520 176.294 177.584 0.383 0.000 1.061 305 A CA -0.407 51.688 52.037 0.097 0.000 0.690 305 A CB 1.093 20.127 19.000 0.057 0.000 1.287 305 A HN 0.384 nan 8.150 nan 0.000 0.402 306 F N 1.422 121.518 119.950 0.244 0.000 2.399 306 F HA 0.786 5.313 4.527 0.000 0.000 0.334 306 F C 1.015 176.989 175.800 0.289 0.000 1.097 306 F CA -0.795 57.357 58.000 0.254 0.000 1.076 306 F CB 1.798 40.935 39.000 0.228 0.000 1.162 306 F HN 0.784 nan 8.300 nan 0.000 0.495 307 S N 0.773 116.770 115.700 0.495 0.000 2.643 307 S HA 0.553 5.023 4.470 0.001 0.000 0.270 307 S C -1.217 173.596 174.600 0.354 0.000 1.166 307 S CA -1.143 57.315 58.200 0.430 0.000 0.815 307 S CB 1.917 65.436 63.200 0.532 0.000 1.139 307 S HN 0.483 nan 8.310 nan 0.000 0.472 308 E N 0.932 121.367 120.200 0.392 0.000 2.390 308 E HA 0.170 4.521 4.350 0.001 0.000 0.261 308 E C -0.009 176.780 176.600 0.316 0.000 1.076 308 E CA -0.466 56.193 56.400 0.432 0.000 0.905 308 E CB 0.207 30.284 29.700 0.630 0.000 0.984 308 E HN 0.808 nan 8.360 nan 0.000 0.427 309 E N 0.575 120.951 120.200 0.293 0.000 2.415 309 E HA 0.157 4.507 4.350 0.001 0.000 0.263 309 E C 0.535 177.129 176.600 -0.009 0.000 0.995 309 E CA 0.679 57.151 56.400 0.119 0.000 0.915 309 E CB -0.184 29.642 29.700 0.211 0.000 0.951 309 E HN 0.750 nan 8.360 nan 0.000 0.449 310 G N 3.410 111.938 108.800 -0.454 0.000 2.179 310 G HA2 -0.370 3.590 3.960 0.001 0.000 0.257 310 G HA3 -0.370 3.590 3.960 0.001 0.000 0.257 310 G C 0.793 175.009 174.900 -1.140 0.000 1.010 310 G CA 0.822 45.219 45.100 -1.172 0.000 0.736 310 G HN 0.796 nan 8.290 nan 0.000 0.513 311 S N -0.178 115.069 115.700 -0.754 0.000 2.442 311 S HA -0.054 4.416 4.470 0.001 0.000 0.236 311 S C 2.057 176.082 174.600 -0.958 0.000 1.007 311 S CA 1.792 59.304 58.200 -1.147 0.000 0.965 311 S CB -0.658 62.407 63.200 -0.225 0.000 0.773 311 S HN 1.298 nan 8.310 nan 0.000 0.504 312 F N 1.756 121.448 119.950 -0.430 0.000 2.365 312 F HA 0.398 4.925 4.527 0.000 0.000 0.300 312 F C 2.330 178.198 175.800 0.112 0.000 1.090 312 F CA -0.066 57.700 58.000 -0.388 0.000 1.408 312 F CB -1.117 37.334 39.000 -0.915 0.000 1.060 312 F HN 0.271 nan 8.300 nan 0.000 0.534 313 A N 0.785 123.465 122.820 -0.234 0.000 2.070 313 A HA -0.100 4.220 4.320 0.001 0.000 0.220 313 A C 1.430 179.504 177.584 0.817 0.000 1.159 313 A CA 1.284 53.621 52.037 0.500 0.000 0.656 313 A CB -1.422 17.818 19.000 0.401 0.000 0.800 313 A HN 0.815 nan 8.150 nan 0.000 0.453 314 W N -1.894 119.784 121.300 0.630 0.000 2.818 314 W HA 0.522 5.182 4.660 0.000 0.000 0.403 314 W C -0.690 176.208 176.519 0.632 0.000 0.991 314 W CA -0.205 57.490 57.345 0.583 0.000 1.925 314 W CB -0.905 28.772 29.460 0.361 0.000 1.166 314 W HN -0.100 nan 8.180 nan 0.000 0.605 315 T N 1.890 116.793 114.554 0.583 0.000 2.821 315 T HA 0.100 4.451 4.350 0.001 0.000 0.307 315 T C -0.607 174.417 174.700 0.540 0.000 1.034 315 T CA -0.304 62.112 62.100 0.527 0.000 0.953 315 T CB 0.426 69.562 68.868 0.445 0.000 0.968 315 T HN 0.113 nan 8.240 nan 0.000 0.462 316 H N 4.094 123.204 119.070 0.067 0.000 2.964 316 H HA -0.003 4.554 4.556 0.001 0.000 0.328 316 H C 1.132 176.431 175.328 -0.047 0.000 1.030 316 H CA -0.007 55.802 56.048 -0.398 0.000 1.445 316 H CB 0.816 30.133 29.762 -0.742 0.000 1.449 316 H HN 0.622 nan 8.280 nan 0.000 0.581 317 N N 4.145 122.609 118.700 -0.393 0.000 2.494 317 N HA -0.117 4.623 4.740 0.001 0.000 0.182 317 N C 0.638 175.922 175.510 -0.376 0.000 1.076 317 N CA 0.670 53.456 53.050 -0.440 0.000 0.908 317 N CB 0.014 37.835 38.487 -1.109 0.000 0.967 317 N HN 0.504 nan 8.380 nan 0.000 0.449 318 K N 0.343 120.432 120.400 -0.520 0.000 2.458 318 K HA 0.177 4.497 4.320 0.001 0.000 0.194 318 K C -0.185 176.370 176.600 -0.075 0.000 1.024 318 K CA -0.186 55.928 56.287 -0.288 0.000 1.108 318 K CB 0.244 32.564 32.500 -0.300 0.000 0.846 318 K HN 0.152 nan 8.250 nan 0.000 0.518 319 S N 0.532 116.219 115.700 -0.020 0.000 2.576 319 S HA 0.063 4.533 4.470 0.001 0.000 0.272 319 S C 1.397 176.005 174.600 0.014 0.000 1.352 319 S CA -0.170 58.058 58.200 0.047 0.000 1.021 319 S CB 1.398 64.648 63.200 0.083 0.000 0.887 319 S HN 0.306 nan 8.310 nan 0.000 0.542 320 A N 1.820 124.653 122.820 0.021 0.000 1.902 320 A HA -0.120 4.200 4.320 0.001 0.000 0.217 320 A C 2.348 179.927 177.584 -0.008 0.000 1.181 320 A CA 1.989 54.029 52.037 0.004 0.000 0.623 320 A CB -1.688 17.317 19.000 0.009 0.000 0.818 320 A HN 0.978 nan 8.150 nan 0.000 0.443 321 T N -2.711 111.841 114.554 -0.004 0.000 3.051 321 T HA -0.013 4.338 4.350 0.001 0.000 0.269 321 T C 0.518 175.195 174.700 -0.038 0.000 1.127 321 T CA 1.016 63.102 62.100 -0.024 0.000 1.107 321 T CB -0.645 68.208 68.868 -0.025 0.000 0.898 321 T HN 0.548 nan 8.240 nan 0.000 0.517 322 K N 0.700 121.085 120.400 -0.025 0.000 3.619 322 K HA -0.093 4.227 4.320 0.001 0.000 0.275 322 K C -2.734 173.851 176.600 -0.025 0.000 0.993 322 K CA 0.602 56.871 56.287 -0.030 0.000 0.787 322 K CB -1.861 30.611 32.500 -0.046 0.000 1.431 322 K HN 0.435 nan 8.250 nan 0.000 0.451 323 P HA 0.079 nan 4.420 nan 0.000 0.271 323 P C 0.189 177.541 177.300 0.087 0.000 1.216 323 P CA 0.060 63.128 63.100 -0.053 0.000 0.771 323 P CB 0.255 32.011 31.700 0.093 0.000 0.864 324 F N -2.176 117.696 119.950 -0.129 0.000 2.794 324 F HA -0.194 4.333 4.527 0.000 0.000 0.335 324 F C 0.953 176.676 175.800 -0.128 0.000 0.653 324 F CA 0.895 58.778 58.000 -0.195 0.000 1.266 324 F CB -1.685 37.169 39.000 -0.244 0.000 1.666 324 F HN 0.342 nan 8.300 nan 0.000 0.314 325 E N 1.116 121.318 120.200 0.005 0.000 2.383 325 E HA 0.345 4.695 4.350 0.001 0.000 0.264 325 E C 0.319 176.886 176.600 -0.055 0.000 1.050 325 E CA 0.693 57.076 56.400 -0.028 0.000 0.896 325 E CB 1.394 31.065 29.700 -0.047 0.000 0.982 325 E HN 0.178 nan 8.360 nan 0.000 0.424 326 T N 2.531 117.053 114.554 -0.054 0.000 2.901 326 T HA 0.357 4.707 4.350 0.001 0.000 0.293 326 T C -0.802 173.868 174.700 -0.049 0.000 1.084 326 T CA -0.726 61.342 62.100 -0.053 0.000 1.008 326 T CB 0.980 69.823 68.868 -0.041 0.000 1.170 326 T HN 0.358 nan 8.240 nan 0.000 0.509 327 K N 1.253 121.628 120.400 -0.042 0.000 2.336 327 K HA 0.422 4.742 4.320 0.001 0.000 0.262 327 K C 1.511 178.091 176.600 -0.034 0.000 0.992 327 K CA 0.374 56.640 56.287 -0.035 0.000 0.927 327 K CB 0.247 32.731 32.500 -0.026 0.000 0.956 327 K HN 0.637 nan 8.250 nan 0.000 0.495 328 A N 2.468 125.268 122.820 -0.033 0.000 1.884 328 A HA -0.243 4.077 4.320 0.001 0.000 0.219 328 A C 1.384 178.950 177.584 -0.030 0.000 1.197 328 A CA 2.291 54.308 52.037 -0.034 0.000 0.637 328 A CB -0.675 18.308 19.000 -0.030 0.000 0.827 328 A HN 0.911 nan 8.150 nan 0.000 0.450 329 N N 0.221 118.907 118.700 -0.022 0.000 2.322 329 N HA 0.076 4.816 4.740 0.001 0.000 0.216 329 N C -0.355 175.146 175.510 -0.014 0.000 1.144 329 N CA 0.067 53.106 53.050 -0.018 0.000 0.830 329 N CB -0.057 38.422 38.487 -0.013 0.000 1.034 329 N HN 0.627 nan 8.380 nan 0.000 0.484 330 E N 0.323 120.514 120.200 -0.016 0.000 2.221 330 E HA 0.438 4.789 4.350 0.001 0.000 0.268 330 E C -0.746 175.847 176.600 -0.012 0.000 0.933 330 E CA -0.698 55.698 56.400 -0.008 0.000 0.809 330 E CB 1.915 31.615 29.700 -0.000 0.000 1.190 330 E HN 0.147 nan 8.360 nan 0.000 0.406 331 K N 1.259 121.659 120.400 0.000 0.000 2.395 331 K HA 0.543 4.863 4.320 0.001 0.000 0.247 331 K C -0.800 175.827 176.600 0.045 0.000 0.973 331 K CA -0.791 55.502 56.287 0.009 0.000 0.828 331 K CB 2.368 34.873 32.500 0.007 0.000 1.272 331 K HN 0.374 nan 8.250 nan 0.000 0.439 332 M N 2.136 121.792 119.600 0.094 0.000 2.311 332 M HA 0.294 4.774 4.480 0.001 0.000 0.325 332 M C -1.398 175.086 176.300 0.307 0.000 1.061 332 M CA 0.059 55.459 55.300 0.166 0.000 0.957 332 M CB 1.500 34.159 32.600 0.098 0.000 1.646 332 M HN 0.729 nan 8.290 nan 0.000 0.434 333 E N 3.457 123.847 120.200 0.317 0.000 2.430 333 E HA 0.734 5.084 4.350 0.001 0.000 0.279 333 E C -1.816 174.827 176.600 0.072 0.000 1.003 333 E CA -1.284 55.255 56.400 0.232 0.000 0.801 333 E CB 1.571 31.320 29.700 0.081 0.000 1.313 333 E HN 0.777 nan 8.360 nan 0.000 0.459 334 A N 1.391 124.057 122.820 -0.258 0.000 2.363 334 A HA 0.358 4.679 4.320 0.001 0.000 0.270 334 A C 0.327 177.726 177.584 -0.309 0.000 1.121 334 A CA -0.511 51.226 52.037 -0.500 0.000 0.800 334 A CB 0.557 19.147 19.000 -0.683 0.000 1.052 334 A HN 0.638 nan 8.150 nan 0.000 0.493 335 L N 3.000 124.036 121.223 -0.310 0.000 2.269 335 L HA 0.592 4.932 4.340 0.001 0.000 0.200 335 L C 0.427 177.069 176.870 -0.380 0.000 1.069 335 L CA 1.211 55.849 54.840 -0.336 0.000 0.804 335 L CB 0.071 41.916 42.059 -0.358 0.000 0.987 335 L HN 0.735 nan 8.230 nan 0.000 0.468 336 I N -1.126 119.239 120.570 -0.341 0.000 2.947 336 I HA 0.353 4.524 4.170 0.001 0.000 0.301 336 I C -1.060 174.943 176.117 -0.191 0.000 1.453 336 I CA -0.866 60.286 61.300 -0.247 0.000 0.984 336 I CB 1.975 39.832 38.000 -0.238 0.000 1.333 336 I HN -0.073 nan 8.210 nan 0.000 0.475 337 V N 1.371 121.214 119.914 -0.119 0.000 3.406 337 V HA 0.801 4.922 4.120 0.001 0.000 0.305 337 V C 0.119 176.195 176.094 -0.030 0.000 1.136 337 V CA 0.284 62.531 62.300 -0.088 0.000 1.011 337 V CB 1.242 33.031 31.823 -0.056 0.000 1.221 337 V HN 0.877 nan 8.190 nan 0.000 0.454 338 T N -1.286 113.255 114.554 -0.022 0.000 2.870 338 T HA 0.482 4.832 4.350 0.001 0.000 0.277 338 T C 0.060 174.760 174.700 0.001 0.000 1.000 338 T CA -0.854 61.239 62.100 -0.012 0.000 0.982 338 T CB 0.848 69.684 68.868 -0.052 0.000 1.249 338 T HN 0.785 nan 8.240 nan 0.000 0.589 339 N N 2.495 121.210 118.700 0.025 0.000 2.381 339 N HA 0.303 5.043 4.740 0.001 0.000 0.241 339 N C -2.390 173.106 175.510 -0.024 0.000 1.279 339 N CA -1.025 52.048 53.050 0.038 0.000 0.896 339 N CB -0.002 38.590 38.487 0.176 0.000 1.118 339 N HN 0.552 nan 8.380 nan 0.000 0.438 340 P HA 0.433 nan 4.420 nan 0.000 0.293 340 P C -0.662 176.675 177.300 0.061 0.000 1.291 340 P CA -0.519 62.568 63.100 -0.022 0.000 0.867 340 P CB 1.195 32.751 31.700 -0.240 0.000 1.074 341 I N -1.627 119.005 120.570 0.104 0.000 3.042 341 I HA 0.703 4.874 4.170 0.001 0.000 0.310 341 I C -2.992 173.321 176.117 0.328 0.000 1.117 341 I CA -3.659 57.754 61.300 0.188 0.000 1.003 341 I CB 2.083 40.205 38.000 0.203 0.000 1.228 341 I HN 0.001 nan 8.210 nan 0.000 0.443 342 P HA 0.114 nan 4.420 nan 0.000 0.269 342 P C -1.141 176.401 177.300 0.403 0.000 1.215 342 P CA 0.329 63.622 63.100 0.322 0.000 0.780 342 P CB 0.289 32.101 31.700 0.186 0.000 0.898 343 Y N 0.590 120.989 120.300 0.165 0.000 2.188 343 Y HA 0.019 4.570 4.550 0.000 0.000 0.360 343 Y C 1.160 177.029 175.900 -0.052 0.000 1.324 343 Y CA -0.126 57.987 58.100 0.021 0.000 1.726 343 Y CB 0.382 38.799 38.460 -0.071 0.000 1.536 343 Y HN 0.349 nan 8.280 nan 0.000 0.628 344 D N 0.303 120.502 120.400 -0.335 0.000 2.368 344 D HA 0.231 4.872 4.640 0.001 0.000 0.240 344 D C -1.066 175.084 176.300 -0.250 0.000 1.169 344 D CA 0.242 54.045 54.000 -0.328 0.000 0.906 344 D CB 0.988 41.545 40.800 -0.404 0.000 1.187 344 D HN 0.110 nan 8.370 nan 0.000 0.435 345 V N 0.595 120.377 119.914 -0.220 0.000 2.540 345 V HA 0.573 4.693 4.120 0.001 0.000 0.302 345 V C 0.687 176.612 176.094 -0.282 0.000 1.035 345 V CA -0.938 61.266 62.300 -0.160 0.000 0.873 345 V CB 1.870 33.683 31.823 -0.016 0.000 0.992 345 V HN 0.587 nan 8.190 nan 0.000 0.428 346 G N 3.381 112.005 108.800 -0.294 0.000 2.353 346 G HA2 0.565 4.526 3.960 0.001 0.000 0.284 346 G HA3 0.565 4.526 3.960 0.001 0.000 0.284 346 G C -0.807 173.834 174.900 -0.431 0.000 1.172 346 G CA -0.214 44.581 45.100 -0.509 0.000 0.854 346 G HN 0.583 nan 8.290 nan 0.000 0.485 347 V N 1.992 121.491 119.914 -0.692 0.000 2.735 347 V HA 0.562 4.682 4.120 0.001 0.000 0.310 347 V C -0.816 175.032 176.094 -0.409 0.000 1.061 347 V CA -0.871 61.192 62.300 -0.395 0.000 0.913 347 V CB 1.697 33.347 31.823 -0.288 0.000 1.005 347 V HN 0.591 nan 8.190 nan 0.000 0.428 348 F N 2.284 122.258 119.950 0.040 0.000 2.432 348 F HA 0.647 5.175 4.527 0.000 0.000 0.329 348 F C 0.924 176.741 175.800 0.029 0.000 1.076 348 F CA -0.833 57.236 58.000 0.115 0.000 1.018 348 F CB 1.326 40.412 39.000 0.144 0.000 1.201 348 F HN 0.551 nan 8.300 nan 0.000 0.489 349 R N 1.737 122.389 120.500 0.254 0.000 2.784 349 R HA 0.121 4.462 4.340 0.001 0.000 0.266 349 R C 0.791 177.167 176.300 0.128 0.000 1.044 349 R CA -0.451 55.731 56.100 0.137 0.000 1.151 349 R CB 0.517 30.874 30.300 0.095 0.000 1.037 349 R HN 0.778 nan 8.270 nan 0.000 0.478 350 K N 0.976 121.419 120.400 0.073 0.000 2.217 350 K HA -0.042 4.278 4.320 0.001 0.000 0.202 350 K C 0.667 177.278 176.600 0.018 0.000 1.051 350 K CA 1.251 57.567 56.287 0.049 0.000 0.952 350 K CB 0.183 32.704 32.500 0.035 0.000 0.736 350 K HN 0.649 nan 8.250 nan 0.000 0.453 351 S N 0.615 116.321 115.700 0.010 0.000 2.605 351 S HA 0.098 4.568 4.470 0.001 0.000 0.217 351 S C -0.118 174.450 174.600 -0.054 0.000 0.958 351 S CA -0.365 57.826 58.200 -0.014 0.000 0.919 351 S CB 0.494 63.691 63.200 -0.005 0.000 0.780 351 S HN -0.006 nan 8.310 nan 0.000 0.507 352 V N 4.030 123.895 119.914 -0.082 0.000 2.585 352 V HA 0.048 4.169 4.120 0.001 0.000 0.296 352 V C 0.903 176.861 176.094 -0.226 0.000 1.035 352 V CA -0.716 61.471 62.300 -0.189 0.000 1.084 352 V CB 0.295 31.960 31.823 -0.264 0.000 0.953 352 V HN 0.489 nan 8.190 nan 0.000 0.483 353 N N 3.732 122.296 118.700 -0.226 0.000 2.356 353 N HA -0.083 4.658 4.740 0.001 0.000 0.252 353 N C 1.019 176.426 175.510 -0.172 0.000 1.241 353 N CA 0.230 53.191 53.050 -0.148 0.000 0.861 353 N CB 0.896 39.322 38.487 -0.102 0.000 1.075 353 N HN 0.802 nan 8.380 nan 0.000 0.461 354 Q N 3.768 123.514 119.800 -0.090 0.000 2.135 354 Q HA -0.115 4.225 4.340 0.001 0.000 0.204 354 Q C 1.788 177.766 176.000 -0.036 0.000 0.981 354 Q CA 1.698 57.456 55.803 -0.075 0.000 0.856 354 Q CB -0.014 28.716 28.738 -0.013 0.000 0.902 354 Q HN 0.806 nan 8.270 nan 0.000 0.425 355 L N -0.074 121.172 121.223 0.039 0.000 2.046 355 L HA -0.167 4.173 4.340 0.001 0.000 0.208 355 L C 2.512 179.450 176.870 0.113 0.000 1.077 355 L CA 1.656 56.570 54.840 0.124 0.000 0.747 355 L CB -0.532 41.672 42.059 0.242 0.000 0.896 355 L HN 0.364 nan 8.230 nan 0.000 0.432 356 E N 0.003 120.188 120.200 -0.025 0.000 2.077 356 E HA -0.252 4.099 4.350 0.001 0.000 0.193 356 E C 2.244 178.776 176.600 -0.113 0.000 0.989 356 E CA 1.146 57.417 56.400 -0.214 0.000 0.800 356 E CB 0.066 29.301 29.700 -0.775 0.000 0.746 356 E HN 0.503 nan 8.360 nan 0.000 0.452 357 Q N 0.041 119.655 119.800 -0.311 0.000 2.061 357 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 357 Q C 2.024 178.029 176.000 0.009 0.000 0.984 357 Q CA 1.369 56.897 55.803 -0.459 0.000 0.846 357 Q CB -0.150 28.186 28.738 -0.671 0.000 0.902 357 Q HN 0.273 nan 8.270 nan 0.000 0.421 358 N N 0.460 119.182 118.700 0.037 0.000 2.309 358 N HA -0.068 4.672 4.740 0.001 0.000 0.182 358 N C 1.771 177.366 175.510 0.142 0.000 1.018 358 N CA 0.791 53.906 53.050 0.108 0.000 0.876 358 N CB -0.031 38.506 38.487 0.083 0.000 0.972 358 N HN 0.223 nan 8.380 nan 0.000 0.434 359 L N 0.393 121.716 121.223 0.167 0.000 2.109 359 L HA 0.007 4.347 4.340 0.001 0.000 0.207 359 L C 2.072 179.118 176.870 0.293 0.000 1.086 359 L CA 0.581 55.522 54.840 0.167 0.000 0.760 359 L CB -0.176 41.929 42.059 0.078 0.000 0.910 359 L HN 0.066 nan 8.230 nan 0.000 0.437 360 I N -1.192 119.638 120.570 0.433 0.000 2.202 360 I HA -0.251 3.919 4.170 0.001 0.000 0.242 360 I C 2.425 178.775 176.117 0.387 0.000 1.091 360 I CA 0.907 62.490 61.300 0.472 0.000 1.368 360 I CB -0.217 38.098 38.000 0.526 0.000 1.058 360 I HN -0.022 nan 8.210 nan 0.000 0.410 361 V N 0.449 120.578 119.914 0.357 0.000 2.255 361 V HA -0.352 3.768 4.120 0.001 0.000 0.247 361 V C 2.485 178.702 176.094 0.205 0.000 1.051 361 V CA 2.239 64.719 62.300 0.299 0.000 1.018 361 V CB -0.673 31.301 31.823 0.251 0.000 0.641 361 V HN 0.439 nan 8.190 nan 0.000 0.445 362 Q N -0.244 119.637 119.800 0.135 0.000 2.226 362 Q HA -0.171 4.169 4.340 0.001 0.000 0.204 362 Q C 2.104 178.093 176.000 -0.018 0.000 0.975 362 Q CA 2.256 58.098 55.803 0.065 0.000 0.866 362 Q CB -0.515 28.245 28.738 0.037 0.000 0.915 362 Q HN 0.684 nan 8.270 nan 0.000 0.440 363 T N -0.229 114.259 114.554 -0.110 0.000 2.777 363 T HA -0.084 4.266 4.350 0.001 0.000 0.266 363 T C 1.121 175.570 174.700 -0.418 0.000 1.040 363 T CA 1.218 63.064 62.100 -0.424 0.000 1.141 363 T CB -0.375 67.941 68.868 -0.920 0.000 0.868 363 T HN 0.248 nan 8.240 nan 0.000 0.444 364 F N 1.173 120.962 119.950 -0.268 0.000 2.095 364 F HA -0.040 4.487 4.527 0.001 0.000 0.298 364 F C 2.181 177.895 175.800 -0.142 0.000 1.104 364 F CA 0.947 58.774 58.000 -0.289 0.000 1.232 364 F CB -0.629 37.994 39.000 -0.630 0.000 0.987 364 F HN 0.123 nan 8.300 nan 0.000 0.475 365 I N -0.069 120.600 120.570 0.166 0.000 2.163 365 I HA -0.351 3.819 4.170 0.001 0.000 0.243 365 I C 1.990 178.190 176.117 0.138 0.000 1.085 365 I CA 1.376 62.804 61.300 0.214 0.000 1.347 365 I CB -0.533 37.560 38.000 0.156 0.000 1.044 365 I HN 0.141 nan 8.210 nan 0.000 0.408 366 N N 0.764 119.490 118.700 0.043 0.000 2.188 366 N HA -0.085 4.656 4.740 0.001 0.000 0.184 366 N C 1.932 177.449 175.510 0.010 0.000 1.018 366 N CA 1.087 54.142 53.050 0.007 0.000 0.858 366 N CB -0.385 38.073 38.487 -0.048 0.000 0.989 366 N HN 0.324 nan 8.380 nan 0.000 0.426 367 L N 0.496 121.712 121.223 -0.011 0.000 2.046 367 L HA -0.107 4.234 4.340 0.001 0.000 0.208 367 L C 2.309 179.258 176.870 0.132 0.000 1.077 367 L CA 1.169 56.022 54.840 0.022 0.000 0.747 367 L CB -0.492 41.566 42.059 -0.001 0.000 0.896 367 L HN 0.143 nan 8.230 nan 0.000 0.432 368 A N -0.502 122.455 122.820 0.229 0.000 1.930 368 A HA -0.172 4.149 4.320 0.001 0.000 0.217 368 A C 2.252 179.910 177.584 0.124 0.000 1.175 368 A CA 1.308 53.487 52.037 0.237 0.000 0.627 368 A CB -0.243 18.973 19.000 0.359 0.000 0.815 368 A HN 0.144 nan 8.150 nan 0.000 0.443 369 K N 0.852 121.314 120.400 0.103 0.000 2.057 369 K HA -0.040 4.281 4.320 0.001 0.000 0.207 369 K C 1.110 177.735 176.600 0.041 0.000 1.049 369 K CA 1.121 57.444 56.287 0.059 0.000 0.931 369 K CB -0.518 32.011 32.500 0.049 0.000 0.714 369 K HN 0.509 nan 8.250 nan 0.000 0.440 370 N N 1.456 120.180 118.700 0.040 0.000 2.449 370 N HA -0.050 4.690 4.740 0.001 0.000 0.191 370 N C -0.417 175.114 175.510 0.035 0.000 1.161 370 N CA 0.178 53.243 53.050 0.025 0.000 0.863 370 N CB 0.279 38.772 38.487 0.010 0.000 0.980 370 N HN -0.011 nan 8.380 nan 0.000 0.458 371 K N 0.305 120.736 120.400 0.051 0.000 3.071 371 K HA -0.205 4.115 4.320 0.001 0.000 0.265 371 K C 0.110 176.752 176.600 0.069 0.000 1.060 371 K CA 0.543 56.863 56.287 0.055 0.000 0.767 371 K CB -2.180 30.338 32.500 0.031 0.000 1.241 371 K HN 0.561 nan 8.250 nan 0.000 0.486 372 Q N -0.245 119.607 119.800 0.087 0.000 2.219 372 Q HA 0.042 4.382 4.340 0.001 0.000 0.209 372 Q C -0.087 176.020 176.000 0.177 0.000 0.854 372 Q CA -0.215 55.645 55.803 0.094 0.000 0.960 372 Q CB 0.510 29.273 28.738 0.043 0.000 1.116 372 Q HN 0.196 nan 8.270 nan 0.000 0.500 373 D N 1.133 121.673 120.400 0.233 0.000 2.380 373 D HA 0.014 4.654 4.640 0.001 0.000 0.230 373 D C 0.862 177.344 176.300 0.304 0.000 1.154 373 D CA -0.005 54.231 54.000 0.394 0.000 0.859 373 D CB 1.190 42.268 40.800 0.463 0.000 1.045 373 D HN 0.113 nan 8.370 nan 0.000 0.495 374 T N 0.868 115.637 114.554 0.358 0.000 3.107 374 T HA -0.037 4.313 4.350 0.001 0.000 0.249 374 T C 1.287 176.116 174.700 0.214 0.000 1.096 374 T CA 0.098 62.343 62.100 0.242 0.000 1.012 374 T CB -0.254 68.764 68.868 0.250 0.000 0.977 374 T HN 0.423 nan 8.240 nan 0.000 0.527 375 Y N 1.789 122.070 120.300 -0.032 0.000 2.472 375 Y HA 0.460 5.011 4.550 0.001 0.000 0.288 375 Y C 2.399 178.171 175.900 -0.212 0.000 1.154 375 Y CA 0.378 58.342 58.100 -0.228 0.000 1.238 375 Y CB -0.537 37.472 38.460 -0.752 0.000 1.287 375 Y HN 0.119 nan 8.280 nan 0.000 0.524 376 G N 1.617 110.260 108.800 -0.262 0.000 2.553 376 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 376 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 376 G C -0.541 174.147 174.900 -0.353 0.000 1.195 376 G CA 1.342 46.322 45.100 -0.201 0.000 0.779 376 G HN 0.377 nan 8.290 nan 0.000 0.577 377 P HA -0.072 nan 4.420 nan 0.000 0.218 377 P C 1.884 178.991 177.300 -0.322 0.000 1.146 377 P CA 0.768 63.716 63.100 -0.254 0.000 0.813 377 P CB -0.156 31.450 31.700 -0.157 0.000 0.778 378 L N -2.022 119.009 121.223 -0.320 0.000 2.275 378 L HA -0.074 4.267 4.340 0.001 0.000 0.215 378 L C 1.932 178.538 176.870 -0.440 0.000 1.119 378 L CA 0.995 55.674 54.840 -0.268 0.000 0.790 378 L CB -0.605 41.413 42.059 -0.068 0.000 0.919 378 L HN 0.030 nan 8.230 nan 0.000 0.443 379 L N -1.129 119.650 121.223 -0.740 0.000 2.616 379 L HA 0.320 4.661 4.340 0.001 0.000 0.229 379 L C 1.356 177.662 176.870 -0.939 0.000 1.110 379 L CA 0.570 54.835 54.840 -0.959 0.000 0.884 379 L CB 0.146 41.334 42.059 -1.453 0.000 1.115 379 L HN 0.385 nan 8.230 nan 0.000 0.481 380 G N -0.693 107.680 108.800 -0.712 0.000 2.163 380 G HA2 -0.255 3.705 3.960 0.001 0.000 0.213 380 G HA3 -0.255 3.705 3.960 0.001 0.000 0.213 380 G C -0.312 174.388 174.900 -0.334 0.000 0.991 380 G CA -0.596 44.209 45.100 -0.493 0.000 0.653 380 G HN 0.166 nan 8.290 nan 0.000 0.518 381 Y N 1.259 121.374 120.300 -0.308 0.000 2.594 381 Y HA 0.502 5.052 4.550 0.000 0.000 0.342 381 Y C 1.010 176.651 175.900 -0.432 0.000 1.010 381 Y CA -1.600 56.280 58.100 -0.367 0.000 1.270 381 Y CB 0.216 38.456 38.460 -0.366 0.000 1.125 381 Y HN 0.190 nan 8.280 nan 0.000 0.513 382 N N 1.148 119.673 118.700 -0.292 0.000 2.280 382 N HA 0.344 5.084 4.740 0.001 0.000 0.192 382 N C 0.544 175.886 175.510 -0.280 0.000 1.109 382 N CA 0.085 52.974 53.050 -0.268 0.000 0.855 382 N CB 0.826 39.152 38.487 -0.268 0.000 0.974 382 N HN 0.759 nan 8.380 nan 0.000 0.482 383 G N -0.550 107.970 108.800 -0.466 0.000 2.506 383 G HA2 0.480 4.441 3.960 0.001 0.000 0.292 383 G HA3 0.480 4.441 3.960 0.001 0.000 0.292 383 G C -2.207 172.301 174.900 -0.654 0.000 1.425 383 G CA -0.629 44.241 45.100 -0.383 0.000 0.788 383 G HN 0.028 nan 8.290 nan 0.000 0.490 384 Y N -0.651 119.654 120.300 0.009 0.000 2.571 384 Y HA 0.760 5.310 4.550 0.000 0.000 0.341 384 Y C 0.023 175.933 175.900 0.017 0.000 1.076 384 Y CA -0.963 57.133 58.100 -0.006 0.000 1.029 384 Y CB 3.075 41.549 38.460 0.024 0.000 1.308 384 Y HN 0.680 nan 8.280 nan 0.000 0.461 385 K N 1.778 122.284 120.400 0.177 0.000 2.502 385 K HA 0.423 4.744 4.320 0.001 0.000 0.257 385 K C -1.538 175.137 176.600 0.126 0.000 0.938 385 K CA -1.018 55.345 56.287 0.126 0.000 0.819 385 K CB 2.214 34.765 32.500 0.085 0.000 1.333 385 K HN 0.672 nan 8.250 nan 0.000 0.434 386 K N 4.060 124.532 120.400 0.120 0.000 2.326 386 K HA 0.183 4.503 4.320 0.001 0.000 0.275 386 K C -0.587 176.085 176.600 0.120 0.000 1.018 386 K CA -0.293 56.068 56.287 0.124 0.000 0.962 386 K CB 0.480 33.049 32.500 0.115 0.000 0.953 386 K HN 0.521 nan 8.250 nan 0.000 0.475 387 I N 4.892 125.544 120.570 0.137 0.000 2.337 387 I HA -0.010 4.161 4.170 0.001 0.000 0.291 387 I C 0.517 176.719 176.117 0.140 0.000 1.046 387 I CA -0.299 61.090 61.300 0.148 0.000 1.324 387 I CB 1.167 39.285 38.000 0.198 0.000 1.409 387 I HN 0.744 nan 8.210 nan 0.000 0.494 388 D N 4.423 124.895 120.400 0.120 0.000 2.301 388 D HA -0.000 4.640 4.640 0.001 0.000 0.206 388 D C 0.434 176.800 176.300 0.111 0.000 0.979 388 D CA 0.999 55.061 54.000 0.104 0.000 0.874 388 D CB 0.337 41.187 40.800 0.084 0.000 0.968 388 D HN 0.564 nan 8.370 nan 0.000 0.510 389 N N -0.404 118.371 118.700 0.126 0.000 2.699 389 N HA 0.015 4.755 4.740 0.001 0.000 0.271 389 N C -0.174 175.433 175.510 0.163 0.000 1.216 389 N CA -0.294 52.837 53.050 0.134 0.000 0.844 389 N CB 0.712 39.254 38.487 0.091 0.000 1.462 389 N HN -0.289 nan 8.380 nan 0.000 0.555 390 F N 2.824 122.809 119.950 0.058 0.000 2.134 390 F HA -0.111 4.416 4.527 0.001 0.000 0.299 390 F C 2.293 178.128 175.800 0.059 0.000 1.097 390 F CA 1.733 59.767 58.000 0.058 0.000 1.264 390 F CB 0.180 39.213 39.000 0.056 0.000 1.001 390 F HN 0.600 nan 8.300 nan 0.000 0.479 391 Q N 0.437 120.286 119.800 0.082 0.000 2.079 391 Q HA -0.163 4.178 4.340 0.001 0.000 0.200 391 Q C 2.057 178.026 176.000 -0.052 0.000 0.974 391 Q CA 1.756 57.551 55.803 -0.013 0.000 0.840 391 Q CB -0.105 28.677 28.738 0.073 0.000 0.898 391 Q HN 0.164 nan 8.270 nan 0.000 0.430 392 K N 0.083 120.480 120.400 -0.005 0.000 2.076 392 K HA -0.040 4.280 4.320 0.001 0.000 0.204 392 K C 1.792 178.383 176.600 -0.015 0.000 1.051 392 K CA 1.439 57.725 56.287 -0.000 0.000 0.949 392 K CB 0.060 32.576 32.500 0.026 0.000 0.726 392 K HN 0.283 nan 8.250 nan 0.000 0.443 393 E N -0.816 119.372 120.200 -0.019 0.000 2.318 393 E HA 0.041 4.392 4.350 0.001 0.000 0.193 393 E C 1.075 177.642 176.600 -0.054 0.000 0.998 393 E CA 0.695 57.092 56.400 -0.005 0.000 0.859 393 E CB 0.242 29.964 29.700 0.037 0.000 0.812 393 E HN 0.156 nan 8.360 nan 0.000 0.492 394 I N -1.211 119.235 120.570 -0.207 0.000 3.650 394 I HA -0.080 4.091 4.170 0.001 0.000 0.261 394 I C 1.886 177.839 176.117 -0.273 0.000 1.154 394 I CA 0.186 61.317 61.300 -0.282 0.000 1.418 394 I CB 0.059 37.727 38.000 -0.553 0.000 1.539 394 I HN -0.147 nan 8.210 nan 0.000 0.449 395 V N 1.185 120.833 119.914 -0.443 0.000 2.295 395 V HA -0.252 3.868 4.120 0.001 0.000 0.246 395 V C 2.365 178.451 176.094 -0.012 0.000 1.049 395 V CA 2.076 64.254 62.300 -0.204 0.000 1.024 395 V CB -0.654 31.067 31.823 -0.171 0.000 0.648 395 V HN 0.403 nan 8.190 nan 0.000 0.447 396 E N -0.211 119.969 120.200 -0.034 0.000 2.110 396 E HA -0.167 4.183 4.350 0.001 0.000 0.193 396 E C 2.265 178.879 176.600 0.023 0.000 0.988 396 E CA 1.425 57.826 56.400 0.001 0.000 0.804 396 E CB -0.223 29.472 29.700 -0.009 0.000 0.745 396 E HN 0.468 nan 8.360 nan 0.000 0.458 397 V N 0.855 120.793 119.914 0.040 0.000 2.343 397 V HA -0.270 3.850 4.120 0.001 0.000 0.247 397 V C 2.106 178.269 176.094 0.115 0.000 1.051 397 V CA 1.911 64.261 62.300 0.082 0.000 1.036 397 V CB -0.573 31.308 31.823 0.097 0.000 0.654 397 V HN 0.309 nan 8.190 nan 0.000 0.451 398 Y N 1.147 121.449 120.300 0.003 0.000 2.163 398 Y HA -0.167 4.383 4.550 0.001 0.000 0.288 398 Y C 2.613 178.521 175.900 0.014 0.000 1.136 398 Y CA 1.824 59.934 58.100 0.017 0.000 1.147 398 Y CB -0.100 38.365 38.460 0.008 0.000 0.987 398 Y HN 0.224 nan 8.280 nan 0.000 0.509 399 E N 0.764 120.975 120.200 0.018 0.000 2.110 399 E HA -0.238 4.112 4.350 0.001 0.000 0.193 399 E C 2.032 178.557 176.600 -0.125 0.000 0.988 399 E CA 1.489 57.842 56.400 -0.079 0.000 0.804 399 E CB -0.311 29.405 29.700 0.028 0.000 0.745 399 E HN 0.576 nan 8.360 nan 0.000 0.458 400 K N 0.778 121.126 120.400 -0.087 0.000 2.217 400 K HA 0.006 4.326 4.320 0.001 0.000 0.202 400 K C 1.947 178.484 176.600 -0.105 0.000 1.051 400 K CA 0.975 57.194 56.287 -0.112 0.000 0.952 400 K CB 0.043 32.464 32.500 -0.133 0.000 0.736 400 K HN 0.026 nan 8.250 nan 0.000 0.453 401 A N 1.596 124.363 122.820 -0.088 0.000 2.016 401 A HA 0.023 4.344 4.320 0.001 0.000 0.217 401 A C 1.945 179.448 177.584 -0.134 0.000 1.162 401 A CA 0.948 52.957 52.037 -0.047 0.000 0.662 401 A CB -0.475 18.506 19.000 -0.032 0.000 0.812 401 A HN 0.561 nan 8.150 nan 0.000 0.450 402 I N -4.059 116.361 120.570 -0.251 0.000 3.883 402 I HA 0.262 4.432 4.170 0.001 0.000 0.326 402 I C 0.640 176.667 176.117 -0.150 0.000 1.283 402 I CA -0.238 60.924 61.300 -0.231 0.000 1.161 402 I CB -0.040 37.745 38.000 -0.358 0.000 1.012 402 I HN -0.071 nan 8.210 nan 0.000 0.421 403 K N 0.000 120.321 120.400 -0.131 0.000 2.780 403 K HA 0.000 4.320 4.320 0.001 0.000 0.191 403 K CA 0.000 56.225 56.287 -0.103 0.000 0.838 403 K CB 0.000 32.441 32.500 -0.098 0.000 1.064 403 K HN 0.000 nan 8.250 nan 0.000 0.543