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 3i3v_1_A DATA FIRST_RESID 39 DATA SEQUENCE PDTLVVHTQL GTTAPGSPTY LAAVDRFREE NPGVKIKNLV NGDDLAQVYE DATA SEQUENCE TSRLARKEAD VVXVNLYDKT LAWTDVGATV DVKPYLDDWG LRGRVLPAAL DATA SEQUENCE ADWTDDEGRV RAFPYFATNW PVAYNRALLD RAGVDAIPTT GDQLIAAARK DATA SEQUENCE LRAKGIAPVT VGGNDWTGQK LLAQIIQTFL SQDEARHVYS TGDFGVRGAR DATA SEQUENCE LGIEYFAHLR DAGVFADKAQ GLTSDSXTTQ FNTEEAAVQS AXSSALAKVP DATA SEQUENCE EKVAGHTEVG GWPLADGAAH DGPTVIRAYT LIGFWISPNG VRKIEQVEKF DATA SEQUENCE LRFXYRPDVV ARFVTESGRD XALRTDAVST GFPLVGAAQR LGSEVSQVLL DATA SEQUENCE PDVYVPPAAA QPLITATSTS FTRGTSPARV RAALESAYRS V 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 P HA 0.000 nan 4.420 nan 0.000 0.216 39 P C 0.000 177.290 177.300 -0.017 0.000 1.155 39 P CA 0.000 63.089 63.100 -0.019 0.000 0.800 39 P CB 0.000 31.690 31.700 -0.016 0.000 0.726 40 D N -0.298 120.090 120.400 -0.019 0.000 4.436 40 D HA -0.066 4.573 4.640 -0.001 0.000 0.098 40 D C -0.932 175.355 176.300 -0.022 0.000 0.396 40 D CA 1.069 55.058 54.000 -0.018 0.000 0.574 40 D CB -0.820 39.970 40.800 -0.017 0.000 1.641 40 D HN 0.542 nan 8.370 nan 0.000 0.017 41 T N 0.183 114.721 114.554 -0.027 0.000 2.792 41 T HA 0.488 4.837 4.350 -0.001 0.000 0.280 41 T C -0.052 174.620 174.700 -0.046 0.000 0.990 41 T CA -0.806 61.275 62.100 -0.033 0.000 0.960 41 T CB 1.111 69.960 68.868 -0.032 0.000 0.939 41 T HN 0.160 nan 8.240 nan 0.000 0.439 42 L N 5.412 126.596 121.223 -0.065 0.000 2.477 42 L HA 0.344 4.683 4.340 -0.001 0.000 0.272 42 L C -0.591 176.206 176.870 -0.122 0.000 1.157 42 L CA 0.002 54.776 54.840 -0.110 0.000 0.889 42 L CB 0.673 42.623 42.059 -0.182 0.000 1.158 42 L HN 0.605 nan 8.230 nan 0.000 0.473 43 V N 6.158 126.018 119.914 -0.089 0.000 2.398 43 V HA 0.326 4.445 4.120 -0.001 0.000 0.286 43 V C 0.030 176.093 176.094 -0.053 0.000 1.026 43 V CA -0.641 61.620 62.300 -0.065 0.000 0.868 43 V CB 1.858 33.660 31.823 -0.036 0.000 0.982 43 V HN 0.481 nan 8.190 nan 0.000 0.443 44 V N 4.380 124.268 119.914 -0.043 0.000 2.378 44 V HA 0.346 4.465 4.120 -0.001 0.000 0.288 44 V C -0.163 176.013 176.094 0.136 0.000 1.016 44 V CA -0.606 61.708 62.300 0.023 0.000 0.840 44 V CB 1.193 32.996 31.823 -0.033 0.000 0.994 44 V HN 0.912 nan 8.190 nan 0.000 0.431 45 H N 3.156 122.255 119.070 0.048 0.000 2.761 45 H HA 0.500 5.055 4.556 -0.001 0.000 0.284 45 H C -0.128 175.215 175.328 0.026 0.000 1.105 45 H CA 0.017 56.097 56.048 0.054 0.000 1.352 45 H CB 0.866 30.678 29.762 0.084 0.000 1.423 45 H HN 0.713 nan 8.280 nan 0.000 0.464 46 T N 2.809 117.464 114.554 0.168 0.000 2.906 46 T HA 0.103 4.452 4.350 -0.001 0.000 0.295 46 T C 0.697 175.382 174.700 -0.025 0.000 1.075 46 T CA -0.624 61.472 62.100 -0.006 0.000 1.005 46 T CB 2.178 70.997 68.868 -0.081 0.000 1.136 46 T HN 0.769 nan 8.240 nan 0.000 0.498 47 Q N 1.415 121.154 119.800 -0.103 0.000 2.424 47 Q HA 0.293 4.633 4.340 -0.001 0.000 0.204 47 Q C 0.129 176.101 176.000 -0.047 0.000 0.933 47 Q CA 0.369 56.128 55.803 -0.074 0.000 0.929 47 Q CB 0.186 28.862 28.738 -0.104 0.000 1.037 47 Q HN 0.506 nan 8.270 nan 0.000 0.511 48 L N -1.015 120.152 121.223 -0.092 0.000 2.343 48 L HA 0.503 4.842 4.340 -0.001 0.000 0.275 48 L C 0.870 177.814 176.870 0.123 0.000 1.056 48 L CA -0.059 54.771 54.840 -0.017 0.000 0.804 48 L CB 1.455 43.419 42.059 -0.158 0.000 1.203 48 L HN 0.209 nan 8.230 nan 0.000 0.440 49 G N 0.416 109.341 108.800 0.208 0.000 3.302 49 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 49 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 49 G C 0.459 175.454 174.900 0.158 0.000 1.008 49 G CA 0.450 45.692 45.100 0.236 0.000 0.852 49 G HN 0.674 nan 8.290 nan 0.000 0.485 50 T N -2.575 112.051 114.554 0.120 0.000 3.413 50 T HA 0.274 4.623 4.350 -0.001 0.000 0.187 50 T C 2.211 176.958 174.700 0.079 0.000 0.961 50 T CA 2.325 64.479 62.100 0.090 0.000 1.085 50 T CB -0.155 68.754 68.868 0.069 0.000 1.345 50 T HN 0.679 nan 8.240 nan 0.000 0.326 51 T N 0.796 115.385 114.554 0.059 0.000 3.039 51 T HA 0.549 4.898 4.350 -0.001 0.000 0.250 51 T C 1.223 175.949 174.700 0.043 0.000 1.052 51 T CA 0.339 62.466 62.100 0.045 0.000 1.125 51 T CB -0.786 68.098 68.868 0.026 0.000 0.908 51 T HN 0.772 nan 8.240 nan 0.000 0.473 52 A N 3.454 126.301 122.820 0.044 0.000 2.561 52 A HA 0.408 4.727 4.320 -0.001 0.000 0.234 52 A C -2.334 175.297 177.584 0.078 0.000 1.055 52 A CA -0.866 51.197 52.037 0.042 0.000 0.756 52 A CB -0.539 18.485 19.000 0.041 0.000 0.986 52 A HN 0.298 nan 8.150 nan 0.000 0.505 53 P HA 0.321 nan 4.420 nan 0.000 0.267 53 P C 0.990 178.378 177.300 0.148 0.000 1.205 53 P CA 1.675 64.805 63.100 0.050 0.000 0.765 53 P CB 0.804 32.486 31.700 -0.030 0.000 0.828 54 G N 2.090 110.989 108.800 0.165 0.000 2.175 54 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.244 54 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.244 54 G C 1.451 176.621 174.900 0.451 0.000 0.982 54 G CA 0.452 45.762 45.100 0.349 0.000 0.641 54 G HN 0.434 nan 8.290 nan 0.000 0.527 55 S N 1.415 117.304 115.700 0.315 0.000 2.370 55 S HA -0.064 4.405 4.470 -0.001 0.000 0.226 55 S C 0.265 175.044 174.600 0.299 0.000 1.033 55 S CA 1.928 60.322 58.200 0.324 0.000 1.011 55 S CB -0.681 62.648 63.200 0.215 0.000 0.852 55 S HN 0.551 nan 8.310 nan 0.000 0.457 56 P HA -0.035 nan 4.420 nan 0.000 0.215 56 P C 1.449 178.813 177.300 0.105 0.000 1.157 56 P CA 1.300 64.481 63.100 0.135 0.000 0.868 56 P CB -0.245 31.517 31.700 0.102 0.000 0.788 57 T N -1.650 112.951 114.554 0.078 0.000 2.821 57 T HA -0.185 4.165 4.350 -0.001 0.000 0.267 57 T C 1.629 176.292 174.700 -0.061 0.000 1.046 57 T CA 1.019 63.042 62.100 -0.128 0.000 1.139 57 T CB -1.079 67.516 68.868 -0.454 0.000 0.871 57 T HN 0.055 nan 8.240 nan 0.000 0.454 58 Y N 1.973 122.380 120.300 0.178 0.000 2.165 58 Y HA -0.080 4.469 4.550 -0.001 0.000 0.286 58 Y C 1.920 177.981 175.900 0.269 0.000 1.155 58 Y CA 0.940 59.289 58.100 0.414 0.000 1.164 58 Y CB -0.636 38.116 38.460 0.488 0.000 0.978 58 Y HN 0.143 nan 8.280 nan 0.000 0.513 59 L N -0.621 120.637 121.223 0.060 0.000 2.093 59 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 59 L C 2.727 179.576 176.870 -0.035 0.000 1.085 59 L CA 1.042 55.857 54.840 -0.042 0.000 0.755 59 L CB -0.901 41.197 42.059 0.065 0.000 0.904 59 L HN 0.331 nan 8.230 nan 0.000 0.435 60 A N 0.041 122.862 122.820 0.001 0.000 1.898 60 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 60 A C 2.560 180.177 177.584 0.055 0.000 1.181 60 A CA 1.498 53.543 52.037 0.015 0.000 0.620 60 A CB -0.649 18.352 19.000 0.000 0.000 0.819 60 A HN 0.369 nan 8.150 nan 0.000 0.442 61 A N -0.365 122.502 122.820 0.077 0.000 1.883 61 A HA -0.083 4.237 4.320 -0.001 0.000 0.217 61 A C 2.246 179.983 177.584 0.255 0.000 1.186 61 A CA 2.027 54.236 52.037 0.287 0.000 0.624 61 A CB -1.132 18.088 19.000 0.366 0.000 0.822 61 A HN 0.424 nan 8.150 nan 0.000 0.444 62 V N 0.749 120.676 119.914 0.022 0.000 2.287 62 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 62 V C 2.176 178.296 176.094 0.045 0.000 1.053 62 V CA 2.412 64.715 62.300 0.005 0.000 1.027 62 V CB -0.851 30.859 31.823 -0.188 0.000 0.646 62 V HN 0.534 nan 8.190 nan 0.000 0.447 63 D N -0.678 119.728 120.400 0.009 0.000 2.178 63 D HA -0.123 4.517 4.640 -0.001 0.000 0.202 63 D C 2.333 178.627 176.300 -0.010 0.000 0.974 63 D CA 0.726 54.726 54.000 -0.000 0.000 0.841 63 D CB -0.324 40.476 40.800 0.000 0.000 0.953 63 D HN 0.169 nan 8.370 nan 0.000 0.478 64 R N 0.272 120.791 120.500 0.032 0.000 2.066 64 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 64 R C 2.169 178.396 176.300 -0.121 0.000 1.131 64 R CA 0.542 56.666 56.100 0.040 0.000 0.955 64 R CB -0.986 29.442 30.300 0.213 0.000 0.851 64 R HN 0.213 nan 8.270 nan 0.000 0.432 65 F N 1.696 121.354 119.950 -0.486 0.000 2.161 65 F HA -0.188 4.339 4.527 -0.001 0.000 0.300 65 F C 2.208 177.772 175.800 -0.393 0.000 1.089 65 F CA 1.651 59.138 58.000 -0.856 0.000 1.282 65 F CB -0.138 38.346 39.000 -0.861 0.000 1.010 65 F HN -0.053 nan 8.300 nan 0.000 0.485 66 R N 0.095 120.407 120.500 -0.313 0.000 2.115 66 R HA -0.105 4.234 4.340 -0.001 0.000 0.230 66 R C 2.107 178.244 176.300 -0.272 0.000 1.111 66 R CA 1.508 57.422 56.100 -0.310 0.000 0.976 66 R CB -0.341 29.883 30.300 -0.127 0.000 0.870 66 R HN 0.439 nan 8.270 nan 0.000 0.445 67 E N 0.352 120.430 120.200 -0.203 0.000 2.152 67 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 67 E C 1.541 178.038 176.600 -0.173 0.000 0.983 67 E CA 0.790 57.103 56.400 -0.145 0.000 0.818 67 E CB 0.154 29.806 29.700 -0.080 0.000 0.758 67 E HN 0.389 nan 8.360 nan 0.000 0.467 68 E N 0.440 120.496 120.200 -0.239 0.000 2.285 68 E HA -0.041 4.308 4.350 -0.001 0.000 0.194 68 E C -0.173 176.254 176.600 -0.288 0.000 0.997 68 E CA 0.449 56.719 56.400 -0.216 0.000 0.845 68 E CB 0.166 29.755 29.700 -0.184 0.000 0.782 68 E HN 0.115 nan 8.360 nan 0.000 0.491 69 N N 0.196 118.632 118.700 -0.440 0.000 2.762 69 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 69 N C -2.346 172.967 175.510 -0.329 0.000 1.269 69 N CA -1.012 51.785 53.050 -0.422 0.000 0.799 69 N CB 1.552 39.638 38.487 -0.669 0.000 1.173 69 N HN -0.137 nan 8.380 nan 0.000 0.516 70 P HA -0.161 nan 4.420 nan 0.000 0.217 70 P C 1.326 178.546 177.300 -0.133 0.000 1.151 70 P CA 1.203 64.212 63.100 -0.153 0.000 0.849 70 P CB 0.309 31.943 31.700 -0.111 0.000 0.787 71 G N -1.496 107.225 108.800 -0.131 0.000 2.744 71 G HA2 0.022 3.981 3.960 -0.001 0.000 0.211 71 G HA3 0.022 3.981 3.960 -0.001 0.000 0.211 71 G C 0.303 175.143 174.900 -0.100 0.000 1.146 71 G CA -0.051 44.989 45.100 -0.099 0.000 0.787 71 G HN 0.133 nan 8.290 nan 0.000 0.534 72 V N 1.089 120.919 119.914 -0.141 0.000 2.599 72 V HA 0.166 4.285 4.120 -0.001 0.000 0.300 72 V C -0.111 175.945 176.094 -0.064 0.000 1.034 72 V CA 0.106 62.343 62.300 -0.105 0.000 1.115 72 V CB 0.877 32.602 31.823 -0.163 0.000 0.934 72 V HN 0.238 nan 8.190 nan 0.000 0.485 73 K N 5.455 125.839 120.400 -0.026 0.000 2.235 73 K HA 0.742 5.061 4.320 -0.001 0.000 0.266 73 K C -0.653 175.943 176.600 -0.007 0.000 0.980 73 K CA -0.218 56.056 56.287 -0.021 0.000 0.849 73 K CB 2.018 34.502 32.500 -0.028 0.000 1.098 73 K HN 0.654 nan 8.250 nan 0.000 0.445 74 I N 1.584 122.149 120.570 -0.007 0.000 2.607 74 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 74 I C -1.582 174.508 176.117 -0.045 0.000 1.129 74 I CA -0.589 60.685 61.300 -0.043 0.000 1.042 74 I CB 1.368 39.355 38.000 -0.023 0.000 1.242 74 I HN 0.536 nan 8.210 nan 0.000 0.421 75 K N 6.087 126.450 120.400 -0.062 0.000 2.385 75 K HA 0.512 4.832 4.320 -0.001 0.000 0.248 75 K C -1.602 174.988 176.600 -0.015 0.000 0.955 75 K CA -0.708 55.561 56.287 -0.030 0.000 0.816 75 K CB 1.848 34.330 32.500 -0.030 0.000 1.250 75 K HN 0.613 nan 8.250 nan 0.000 0.434 76 N N 3.252 121.970 118.700 0.029 0.000 2.314 76 N HA 0.352 5.091 4.740 -0.001 0.000 0.294 76 N C -1.309 174.246 175.510 0.074 0.000 1.029 76 N CA -0.588 52.512 53.050 0.084 0.000 0.845 76 N CB 1.436 40.023 38.487 0.167 0.000 1.321 76 N HN 0.403 nan 8.380 nan 0.000 0.481 77 L N 2.842 124.116 121.223 0.086 0.000 2.294 77 L HA 0.445 4.785 4.340 -0.001 0.000 0.283 77 L C -0.350 176.634 176.870 0.189 0.000 1.015 77 L CA -0.703 54.175 54.840 0.064 0.000 0.831 77 L CB 1.351 43.341 42.059 -0.115 0.000 1.217 77 L HN 0.168 nan 8.230 nan 0.000 0.420 78 V N 4.781 124.784 119.914 0.148 0.000 2.439 78 V HA 0.531 4.651 4.120 -0.001 0.000 0.282 78 V C 0.103 176.284 176.094 0.145 0.000 1.039 78 V CA -0.641 61.747 62.300 0.147 0.000 0.913 78 V CB 1.638 33.528 31.823 0.111 0.000 0.983 78 V HN 0.724 nan 8.190 nan 0.000 0.460 79 N N 2.349 121.120 118.700 0.119 0.000 2.371 79 N HA 0.406 5.146 4.740 -0.001 0.000 0.280 79 N C 0.247 175.765 175.510 0.014 0.000 1.084 79 N CA -0.057 53.044 53.050 0.085 0.000 0.892 79 N CB 2.732 41.304 38.487 0.142 0.000 1.653 79 N HN 0.677 nan 8.380 nan 0.000 0.480 80 G N 0.510 109.311 108.800 0.002 0.000 3.224 80 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.161 80 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.161 80 G C 0.462 175.320 174.900 -0.069 0.000 1.872 80 G CA 0.423 45.500 45.100 -0.037 0.000 1.012 80 G HN 0.478 nan 8.290 nan 0.000 0.504 81 D N 0.721 121.071 120.400 -0.083 0.000 2.350 81 D HA -0.030 4.610 4.640 -0.001 0.000 0.216 81 D C 1.490 177.761 176.300 -0.047 0.000 0.968 81 D CA 0.912 54.844 54.000 -0.114 0.000 0.894 81 D CB 0.087 40.812 40.800 -0.126 0.000 0.909 81 D HN 0.458 nan 8.370 nan 0.000 0.520 82 D N -0.198 120.197 120.400 -0.010 0.000 2.368 82 D HA -0.037 4.602 4.640 -0.001 0.000 0.218 82 D C 1.912 178.245 176.300 0.055 0.000 1.112 82 D CA -0.231 53.788 54.000 0.033 0.000 0.834 82 D CB -0.365 40.458 40.800 0.038 0.000 0.953 82 D HN 0.239 nan 8.370 nan 0.000 0.505 83 L N 0.803 122.033 121.223 0.012 0.000 2.017 83 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 83 L C 2.420 179.317 176.870 0.045 0.000 1.073 83 L CA 1.739 56.552 54.840 -0.045 0.000 0.745 83 L CB -0.284 41.664 42.059 -0.186 0.000 0.894 83 L HN 0.072 nan 8.230 nan 0.000 0.432 84 A N -0.434 122.451 122.820 0.108 0.000 1.917 84 A HA -0.325 3.994 4.320 -0.001 0.000 0.219 84 A C 2.076 179.864 177.584 0.341 0.000 1.182 84 A CA 2.251 54.463 52.037 0.292 0.000 0.633 84 A CB -0.675 18.381 19.000 0.094 0.000 0.819 84 A HN 0.650 nan 8.150 nan 0.000 0.448 85 Q N -0.723 119.195 119.800 0.198 0.000 2.079 85 Q HA -0.040 4.299 4.340 -0.001 0.000 0.200 85 Q C 2.055 178.144 176.000 0.148 0.000 0.974 85 Q CA 1.566 57.461 55.803 0.153 0.000 0.840 85 Q CB -0.417 28.381 28.738 0.100 0.000 0.898 85 Q HN 0.446 nan 8.270 nan 0.000 0.430 86 V N -0.048 119.971 119.914 0.176 0.000 2.515 86 V HA -0.245 3.875 4.120 -0.001 0.000 0.250 86 V C 1.799 178.053 176.094 0.267 0.000 1.058 86 V CA 1.657 64.078 62.300 0.202 0.000 1.064 86 V CB -0.567 31.412 31.823 0.261 0.000 0.675 86 V HN 0.397 nan 8.190 nan 0.000 0.461 87 Y N 1.509 121.936 120.300 0.211 0.000 2.163 87 Y HA -0.199 4.351 4.550 -0.001 0.000 0.288 87 Y C 2.467 178.361 175.900 -0.010 0.000 1.136 87 Y CA 2.006 60.198 58.100 0.154 0.000 1.147 87 Y CB -0.204 38.274 38.460 0.030 0.000 0.987 87 Y HN 0.334 nan 8.280 nan 0.000 0.509 88 E N -0.849 119.307 120.200 -0.073 0.000 2.153 88 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 88 E C 2.018 178.499 176.600 -0.199 0.000 0.988 88 E CA 1.748 58.022 56.400 -0.210 0.000 0.811 88 E CB -0.147 29.560 29.700 0.012 0.000 0.746 88 E HN 0.435 nan 8.360 nan 0.000 0.466 89 T N 0.127 114.622 114.554 -0.098 0.000 2.857 89 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 89 T C 2.093 176.717 174.700 -0.126 0.000 1.048 89 T CA 1.346 63.397 62.100 -0.081 0.000 1.139 89 T CB -0.172 68.683 68.868 -0.022 0.000 0.874 89 T HN 0.264 nan 8.240 nan 0.000 0.455 90 S N 1.398 117.001 115.700 -0.161 0.000 2.447 90 S HA -0.026 4.444 4.470 -0.001 0.000 0.233 90 S C 1.997 176.447 174.600 -0.249 0.000 1.006 90 S CA 0.567 58.662 58.200 -0.175 0.000 0.957 90 S CB -0.300 62.810 63.200 -0.151 0.000 0.773 90 S HN 0.385 nan 8.310 nan 0.000 0.507 91 R N 0.604 120.873 120.500 -0.386 0.000 2.115 91 R HA 0.207 4.546 4.340 -0.001 0.000 0.226 91 R C 2.149 178.318 176.300 -0.218 0.000 1.100 91 R CA 0.911 56.782 56.100 -0.383 0.000 0.980 91 R CB -0.322 29.641 30.300 -0.562 0.000 0.875 91 R HN 0.447 nan 8.270 nan 0.000 0.445 92 L N -0.116 121.002 121.223 -0.175 0.000 2.141 92 L HA -0.041 4.298 4.340 -0.001 0.000 0.209 92 L C 2.262 179.077 176.870 -0.091 0.000 1.094 92 L CA 1.091 55.864 54.840 -0.112 0.000 0.763 92 L CB -0.268 41.739 42.059 -0.086 0.000 0.908 92 L HN 0.246 nan 8.230 nan 0.000 0.437 93 A N -0.910 121.853 122.820 -0.096 0.000 2.238 93 A HA -0.022 4.297 4.320 -0.001 0.000 0.208 93 A C 1.142 178.681 177.584 -0.075 0.000 1.177 93 A CA 0.048 52.040 52.037 -0.075 0.000 0.804 93 A CB -0.192 18.765 19.000 -0.070 0.000 0.823 93 A HN 0.399 nan 8.150 nan 0.000 0.482 94 R N -1.791 118.652 120.500 -0.094 0.000 3.875 94 R HA -0.158 4.181 4.340 -0.001 0.000 0.321 94 R C 0.020 176.275 176.300 -0.076 0.000 1.196 94 R CA 1.641 57.691 56.100 -0.083 0.000 0.868 94 R CB -2.418 27.848 30.300 -0.058 0.000 1.333 94 R HN 0.682 nan 8.270 nan 0.000 0.522 95 K N 0.806 121.152 120.400 -0.091 0.000 2.537 95 K HA 0.065 4.385 4.320 -0.001 0.000 0.206 95 K C 0.136 176.686 176.600 -0.083 0.000 1.041 95 K CA -0.367 55.876 56.287 -0.074 0.000 1.090 95 K CB 0.648 33.108 32.500 -0.067 0.000 0.833 95 K HN 0.296 nan 8.250 nan 0.000 0.493 96 E N 1.445 121.577 120.200 -0.113 0.000 2.415 96 E HA 0.073 4.422 4.350 -0.001 0.000 0.262 96 E C -0.195 176.433 176.600 0.047 0.000 1.038 96 E CA -0.072 56.271 56.400 -0.095 0.000 0.921 96 E CB 0.652 30.190 29.700 -0.269 0.000 0.950 96 E HN 0.127 nan 8.360 nan 0.000 0.438 97 A N 3.053 125.965 122.820 0.154 0.000 2.466 97 A HA -0.027 4.292 4.320 -0.001 0.000 0.238 97 A C 0.713 178.389 177.584 0.153 0.000 1.074 97 A CA 0.155 52.272 52.037 0.133 0.000 0.774 97 A CB 0.138 19.246 19.000 0.180 0.000 1.015 97 A HN 0.753 nan 8.150 nan 0.000 0.498 98 D N -0.244 120.203 120.400 0.079 0.000 2.149 98 D HA 0.022 4.661 4.640 -0.001 0.000 0.201 98 D C 0.274 176.630 176.300 0.094 0.000 0.972 98 D CA 1.445 55.484 54.000 0.066 0.000 0.835 98 D CB -0.009 40.797 40.800 0.009 0.000 0.966 98 D HN 0.224 nan 8.370 nan 0.000 0.476 99 V N 0.946 120.916 119.914 0.094 0.000 2.735 99 V HA 0.372 4.491 4.120 -0.001 0.000 0.310 99 V C 0.209 176.404 176.094 0.168 0.000 1.061 99 V CA -0.753 61.638 62.300 0.151 0.000 0.913 99 V CB 2.740 34.650 31.823 0.145 0.000 1.005 99 V HN -0.234 nan 8.190 nan 0.000 0.428 103 N N 2.720 121.526 118.700 0.177 0.000 2.413 103 N HA 0.413 5.152 4.740 -0.001 0.000 0.266 103 N C -0.715 175.009 175.510 0.357 0.000 1.238 103 N CA -0.437 52.784 53.050 0.286 0.000 0.972 103 N CB 1.312 39.851 38.487 0.086 0.000 1.210 103 N HN 0.666 nan 8.380 nan 0.000 0.547 104 L N 1.339 122.655 121.223 0.155 0.000 2.255 104 L HA 0.371 4.710 4.340 -0.001 0.000 0.289 104 L C -1.206 175.667 176.870 0.004 0.000 1.046 104 L CA -0.410 54.415 54.840 -0.025 0.000 0.816 104 L CB -0.688 41.017 42.059 -0.591 0.000 1.197 104 L HN 0.648 nan 8.230 nan 0.000 0.427 105 Y N 1.189 121.357 120.300 -0.219 0.000 2.728 105 Y HA 0.450 4.999 4.550 -0.001 0.000 0.330 105 Y C 0.786 176.553 175.900 -0.222 0.000 1.234 105 Y CA -1.073 56.898 58.100 -0.214 0.000 1.070 105 Y CB 0.001 38.349 38.460 -0.188 0.000 1.300 105 Y HN 0.535 nan 8.280 nan 0.000 0.467 106 D N 0.359 120.593 120.400 -0.278 0.000 2.191 106 D HA -0.244 4.395 4.640 -0.001 0.000 0.195 106 D C 1.216 177.181 176.300 -0.559 0.000 1.003 106 D CA 2.408 56.203 54.000 -0.341 0.000 0.867 106 D CB -0.040 40.667 40.800 -0.154 0.000 0.926 106 D HN 0.619 nan 8.370 nan 0.000 0.450 107 K N -0.761 119.023 120.400 -1.027 0.000 2.155 107 K HA -0.038 4.282 4.320 -0.001 0.000 0.203 107 K C 2.180 178.167 176.600 -1.021 0.000 1.052 107 K CA 1.589 57.363 56.287 -0.856 0.000 0.948 107 K CB -0.097 31.940 32.500 -0.772 0.000 0.728 107 K HN 0.464 nan 8.250 nan 0.000 0.448 108 T N -0.922 112.820 114.554 -1.353 0.000 3.065 108 T HA 0.055 4.404 4.350 -0.001 0.000 0.252 108 T C 1.667 175.993 174.700 -0.623 0.000 1.099 108 T CA -0.062 61.102 62.100 -1.559 0.000 1.063 108 T CB 0.092 68.045 68.868 -1.525 0.000 0.948 108 T HN -0.085 nan 8.240 nan 0.000 0.506 109 L N 1.493 122.474 121.223 -0.404 0.000 2.191 109 L HA 0.287 4.627 4.340 -0.001 0.000 0.212 109 L C 2.551 179.404 176.870 -0.029 0.000 1.103 109 L CA 1.393 56.145 54.840 -0.146 0.000 0.769 109 L CB -1.399 40.547 42.059 -0.188 0.000 0.908 109 L HN 0.521 nan 8.230 nan 0.000 0.438 110 A N -3.380 119.413 122.820 -0.045 0.000 2.308 110 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 110 A C 1.651 179.398 177.584 0.272 0.000 1.216 110 A CA -0.327 51.763 52.037 0.088 0.000 0.864 110 A CB -0.496 18.538 19.000 0.056 0.000 0.902 110 A HN 0.408 nan 8.150 nan 0.000 0.499 111 W N 0.872 122.199 121.300 0.044 0.000 2.355 111 W HA -0.074 4.585 4.660 -0.001 0.000 0.309 111 W C 2.238 178.850 176.519 0.154 0.000 1.206 111 W CA 1.806 59.201 57.345 0.084 0.000 1.284 111 W CB -1.315 28.162 29.460 0.030 0.000 1.145 111 W HN 0.311 nan 8.180 nan 0.000 0.502 112 T N -0.556 114.271 114.554 0.455 0.000 2.821 112 T HA -0.209 4.141 4.350 -0.001 0.000 0.267 112 T C 1.209 176.022 174.700 0.187 0.000 1.046 112 T CA 1.852 64.138 62.100 0.309 0.000 1.139 112 T CB -0.381 68.647 68.868 0.267 0.000 0.871 112 T HN 0.016 nan 8.240 nan 0.000 0.454 113 D N 1.026 121.523 120.400 0.161 0.000 2.224 113 D HA -0.069 4.571 4.640 -0.001 0.000 0.205 113 D C 1.973 178.327 176.300 0.091 0.000 0.965 113 D CA 0.739 54.802 54.000 0.105 0.000 0.852 113 D CB 0.033 40.884 40.800 0.085 0.000 0.947 113 D HN 0.368 nan 8.370 nan 0.000 0.494 114 V N -3.606 116.373 119.914 0.108 0.000 3.647 114 V HA 0.467 4.586 4.120 -0.001 0.000 0.279 114 V C 1.472 177.602 176.094 0.061 0.000 1.314 114 V CA 0.482 62.827 62.300 0.075 0.000 1.125 114 V CB -0.219 31.648 31.823 0.073 0.000 0.907 114 V HN 0.220 nan 8.190 nan 0.000 0.434 115 G N 0.192 109.043 108.800 0.086 0.000 2.143 115 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.248 115 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.248 115 G C 0.929 175.853 174.900 0.039 0.000 0.991 115 G CA 0.392 45.534 45.100 0.070 0.000 0.689 115 G HN 1.479 nan 8.290 nan 0.000 0.522 116 A N -1.361 121.462 122.820 0.005 0.000 2.168 116 A HA 0.520 4.840 4.320 -0.001 0.000 0.215 116 A C 1.266 178.809 177.584 -0.068 0.000 1.152 116 A CA 2.190 54.144 52.037 -0.138 0.000 0.716 116 A CB 0.229 18.982 19.000 -0.412 0.000 0.794 116 A HN 1.083 nan 8.150 nan 0.000 0.465 117 T N -1.181 113.428 114.554 0.092 0.000 2.982 117 T HA 0.467 4.817 4.350 -0.001 0.000 0.321 117 T C -0.579 174.270 174.700 0.249 0.000 1.229 117 T CA 0.061 62.297 62.100 0.227 0.000 1.044 117 T CB 1.465 70.608 68.868 0.459 0.000 1.184 117 T HN 0.632 nan 8.240 nan 0.000 0.477 118 V N 1.149 121.201 119.914 0.229 0.000 3.134 118 V HA 0.681 4.801 4.120 -0.001 0.000 0.313 118 V C 0.176 176.356 176.094 0.144 0.000 1.069 118 V CA -0.714 61.692 62.300 0.176 0.000 1.048 118 V CB 1.419 33.347 31.823 0.176 0.000 1.119 118 V HN 0.830 nan 8.190 nan 0.000 0.461 119 D N 1.147 121.591 120.400 0.073 0.000 2.371 119 D HA 0.146 4.785 4.640 -0.001 0.000 0.256 119 D C 0.535 176.803 176.300 -0.054 0.000 1.193 119 D CA 0.217 54.211 54.000 -0.009 0.000 0.881 119 D CB 1.595 42.367 40.800 -0.046 0.000 1.143 119 D HN 0.398 nan 8.370 nan 0.000 0.473 120 V N 5.043 124.872 119.914 -0.142 0.000 3.649 120 V HA -0.030 4.089 4.120 -0.001 0.000 0.275 120 V C 2.282 178.137 176.094 -0.398 0.000 1.281 120 V CA 0.378 62.530 62.300 -0.246 0.000 1.143 120 V CB -0.330 31.173 31.823 -0.534 0.000 0.892 120 V HN 0.596 nan 8.190 nan 0.000 0.441 121 K N 1.657 121.865 120.400 -0.320 0.000 2.044 121 K HA -0.167 4.152 4.320 -0.001 0.000 0.210 121 K C -0.271 176.130 176.600 -0.331 0.000 1.049 121 K CA 2.080 58.190 56.287 -0.295 0.000 0.927 121 K CB -0.887 31.492 32.500 -0.203 0.000 0.713 121 K HN 0.428 nan 8.250 nan 0.000 0.443 122 P HA -0.150 nan 4.420 nan 0.000 0.222 122 P C 0.725 177.654 177.300 -0.618 0.000 1.147 122 P CA 1.328 64.134 63.100 -0.491 0.000 0.790 122 P CB -0.033 31.331 31.700 -0.561 0.000 0.780 123 Y N -0.376 119.606 120.300 -0.530 0.000 2.269 123 Y HA 0.015 4.564 4.550 -0.001 0.000 0.294 123 Y C 2.533 177.997 175.900 -0.727 0.000 1.120 123 Y CA 0.250 57.729 58.100 -1.034 0.000 1.159 123 Y CB -1.493 36.251 38.460 -1.193 0.000 1.024 123 Y HN -0.186 nan 8.280 nan 0.000 0.532 124 L N 0.271 121.334 121.223 -0.265 0.000 2.079 124 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 124 L C 1.630 178.492 176.870 -0.013 0.000 1.081 124 L CA 1.982 56.782 54.840 -0.067 0.000 0.752 124 L CB -0.595 41.299 42.059 -0.276 0.000 0.896 124 L HN 0.110 nan 8.230 nan 0.000 0.433 125 D N -0.906 119.428 120.400 -0.111 0.000 2.106 125 D HA -0.172 4.467 4.640 -0.001 0.000 0.203 125 D C 1.763 178.059 176.300 -0.008 0.000 0.977 125 D CA 1.389 55.357 54.000 -0.053 0.000 0.844 125 D CB -0.336 40.409 40.800 -0.091 0.000 1.002 125 D HN 0.387 nan 8.370 nan 0.000 0.461 126 D N -0.149 120.206 120.400 -0.075 0.000 2.158 126 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 126 D C 1.421 177.864 176.300 0.238 0.000 0.995 126 D CA 0.921 54.936 54.000 0.026 0.000 0.846 126 D CB -0.113 40.666 40.800 -0.036 0.000 0.941 126 D HN 0.203 nan 8.370 nan 0.000 0.456 127 W N 0.353 121.715 121.300 0.102 0.000 3.180 127 W HA 0.406 5.066 4.660 -0.001 0.000 0.254 127 W C 1.558 178.118 176.519 0.068 0.000 1.318 127 W CA 0.652 58.046 57.345 0.081 0.000 1.608 127 W CB -1.006 28.501 29.460 0.078 0.000 1.124 127 W HN 0.186 nan 8.180 nan 0.000 0.694 128 G N 1.031 109.983 108.800 0.254 0.000 2.273 128 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.280 128 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.280 128 G C 0.576 175.592 174.900 0.195 0.000 1.047 128 G CA 0.322 45.527 45.100 0.176 0.000 0.869 128 G HN 0.189 nan 8.290 nan 0.000 0.502 129 L N -0.269 121.101 121.223 0.245 0.000 2.463 129 L HA 0.324 4.663 4.340 -0.001 0.000 0.219 129 L C 1.940 178.979 176.870 0.282 0.000 1.088 129 L CA 0.716 55.737 54.840 0.303 0.000 0.849 129 L CB -0.253 42.011 42.059 0.341 0.000 1.012 129 L HN 0.556 nan 8.230 nan 0.000 0.468 130 R N -0.261 120.346 120.500 0.178 0.000 2.640 130 R HA 0.284 4.623 4.340 -0.001 0.000 0.270 130 R C 1.073 177.438 176.300 0.108 0.000 1.024 130 R CA 1.185 57.354 56.100 0.116 0.000 1.085 130 R CB 0.158 30.485 30.300 0.045 0.000 0.963 130 R HN 0.343 nan 8.270 nan 0.000 0.426 131 G N 3.249 112.098 108.800 0.081 0.000 2.254 131 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.225 131 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.225 131 G C 0.935 175.868 174.900 0.056 0.000 1.003 131 G CA 0.061 45.196 45.100 0.058 0.000 0.622 131 G HN 0.587 nan 8.290 nan 0.000 0.507 132 R N 0.171 120.728 120.500 0.096 0.000 2.254 132 R HA 0.299 4.638 4.340 -0.001 0.000 0.195 132 R C 0.999 177.276 176.300 -0.039 0.000 0.957 132 R CA 0.672 56.795 56.100 0.040 0.000 1.024 132 R CB 0.129 30.495 30.300 0.111 0.000 0.952 132 R HN 0.407 nan 8.270 nan 0.000 0.484 133 V N 2.464 122.391 119.914 0.020 0.000 2.546 133 V HA 0.100 4.219 4.120 -0.001 0.000 0.284 133 V C 0.457 176.516 176.094 -0.059 0.000 1.050 133 V CA -0.846 61.442 62.300 -0.020 0.000 0.981 133 V CB 1.313 33.163 31.823 0.045 0.000 0.990 133 V HN -0.039 nan 8.190 nan 0.000 0.474 134 L N 7.815 128.966 121.223 -0.121 0.000 2.455 134 L HA 0.208 4.548 4.340 -0.001 0.000 0.272 134 L C -1.246 175.523 176.870 -0.168 0.000 1.174 134 L CA -1.296 53.442 54.840 -0.170 0.000 0.869 134 L CB 0.479 42.351 42.059 -0.312 0.000 1.130 134 L HN 0.429 nan 8.230 nan 0.000 0.474 135 P HA -0.198 nan 4.420 nan 0.000 0.216 135 P C 1.195 178.441 177.300 -0.090 0.000 1.153 135 P CA 1.992 65.049 63.100 -0.071 0.000 0.858 135 P CB 0.249 31.926 31.700 -0.038 0.000 0.789 136 A N -0.594 122.136 122.820 -0.151 0.000 2.015 136 A HA -0.041 4.279 4.320 -0.001 0.000 0.219 136 A C 2.241 179.707 177.584 -0.198 0.000 1.163 136 A CA 1.831 53.797 52.037 -0.118 0.000 0.646 136 A CB -1.410 17.572 19.000 -0.030 0.000 0.806 136 A HN 0.205 nan 8.150 nan 0.000 0.448 137 A N -0.198 122.337 122.820 -0.476 0.000 1.872 137 A HA 0.051 4.370 4.320 -0.001 0.000 0.214 137 A C 2.159 179.812 177.584 0.115 0.000 1.187 137 A CA 1.280 53.174 52.037 -0.238 0.000 0.614 137 A CB -0.628 18.178 19.000 -0.322 0.000 0.826 137 A HN 0.692 nan 8.150 nan 0.000 0.442 138 L N -0.549 120.690 121.223 0.026 0.000 2.083 138 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 138 L C 2.637 179.562 176.870 0.093 0.000 1.083 138 L CA 1.742 56.622 54.840 0.066 0.000 0.752 138 L CB -0.328 41.734 42.059 0.005 0.000 0.899 138 L HN 0.357 nan 8.230 nan 0.000 0.433 139 A N -0.220 122.635 122.820 0.058 0.000 1.877 139 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 139 A C 1.894 179.529 177.584 0.085 0.000 1.186 139 A CA 1.913 53.986 52.037 0.061 0.000 0.620 139 A CB -0.801 18.228 19.000 0.047 0.000 0.822 139 A HN 0.540 nan 8.150 nan 0.000 0.443 140 D N -1.661 118.802 120.400 0.104 0.000 2.263 140 D HA -0.138 4.501 4.640 -0.001 0.000 0.208 140 D C 1.155 177.435 176.300 -0.034 0.000 0.971 140 D CA 0.802 54.833 54.000 0.052 0.000 0.867 140 D CB -0.277 40.572 40.800 0.081 0.000 0.929 140 D HN 0.763 nan 8.370 nan 0.000 0.492 141 W N 0.637 121.926 121.300 -0.020 0.000 3.278 141 W HA 0.122 4.782 4.660 -0.001 0.000 0.308 141 W C 0.203 176.662 176.519 -0.101 0.000 1.253 141 W CA 0.052 57.351 57.345 -0.077 0.000 1.759 141 W CB 0.495 29.890 29.460 -0.109 0.000 1.093 141 W HN -0.326 nan 8.180 nan 0.000 0.648 142 T N 1.298 115.926 114.554 0.125 0.000 2.771 142 T HA 0.128 4.478 4.350 -0.001 0.000 0.281 142 T C 0.002 174.724 174.700 0.037 0.000 0.982 142 T CA -0.688 61.447 62.100 0.058 0.000 0.978 142 T CB 1.118 70.006 68.868 0.033 0.000 0.930 142 T HN -0.071 nan 8.240 nan 0.000 0.447 143 D N 1.695 122.113 120.400 0.031 0.000 2.447 143 D HA 0.121 4.760 4.640 -0.001 0.000 0.265 143 D C 0.727 177.042 176.300 0.025 0.000 1.250 143 D CA -0.597 53.419 54.000 0.026 0.000 1.046 143 D CB 0.474 41.295 40.800 0.035 0.000 1.095 143 D HN 0.214 nan 8.370 nan 0.000 0.555 144 D N -0.847 119.569 120.400 0.027 0.000 2.178 144 D HA -0.120 4.519 4.640 -0.001 0.000 0.201 144 D C 1.041 177.352 176.300 0.019 0.000 0.980 144 D CA 1.078 55.094 54.000 0.026 0.000 0.842 144 D CB -0.072 40.745 40.800 0.029 0.000 0.948 144 D HN 0.453 nan 8.370 nan 0.000 0.472 145 E N -0.514 119.696 120.200 0.018 0.000 2.476 145 E HA 0.256 4.605 4.350 -0.001 0.000 0.191 145 E C 1.287 177.888 176.600 0.002 0.000 1.064 145 E CA 0.311 56.718 56.400 0.011 0.000 0.866 145 E CB -0.007 29.702 29.700 0.014 0.000 0.952 145 E HN 0.251 nan 8.360 nan 0.000 0.492 146 G N 1.209 110.011 108.800 0.003 0.000 2.148 146 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.254 146 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.254 146 G C 0.094 174.981 174.900 -0.021 0.000 0.981 146 G CA 0.083 45.178 45.100 -0.008 0.000 0.670 146 G HN 0.247 nan 8.290 nan 0.000 0.528 147 R N -0.515 119.977 120.500 -0.013 0.000 2.404 147 R HA 0.521 4.861 4.340 -0.001 0.000 0.291 147 R C 0.008 176.289 176.300 -0.031 0.000 1.025 147 R CA -0.674 55.410 56.100 -0.027 0.000 0.991 147 R CB 1.836 32.134 30.300 -0.003 0.000 1.053 147 R HN 0.056 nan 8.270 nan 0.000 0.479 148 V N 4.911 124.776 119.914 -0.081 0.000 2.368 148 V HA 0.108 4.227 4.120 -0.001 0.000 0.266 148 V C 1.365 177.376 176.094 -0.138 0.000 1.045 148 V CA -0.200 62.033 62.300 -0.111 0.000 0.899 148 V CB 0.930 32.627 31.823 -0.209 0.000 1.006 148 V HN 0.766 nan 8.190 nan 0.000 0.470 149 R N 3.269 123.729 120.500 -0.066 0.000 2.096 149 R HA 0.060 4.400 4.340 -0.001 0.000 0.240 149 R C 0.732 176.730 176.300 -0.504 0.000 1.139 149 R CA 1.640 57.658 56.100 -0.136 0.000 0.952 149 R CB 0.029 30.327 30.300 -0.004 0.000 0.854 149 R HN 0.779 nan 8.270 nan 0.000 0.436 150 A N -0.737 121.657 122.820 -0.710 0.000 2.586 150 A HA 0.505 4.824 4.320 -0.001 0.000 0.290 150 A C -1.521 175.529 177.584 -0.890 0.000 1.086 150 A CA -0.877 50.587 52.037 -0.954 0.000 0.665 150 A CB 0.493 18.411 19.000 -1.804 0.000 1.279 150 A HN 0.076 nan 8.150 nan 0.000 0.423 151 F N 1.286 120.916 119.950 -0.533 0.000 2.471 151 F HA 0.383 4.910 4.527 -0.001 0.000 0.365 151 F C -1.955 173.601 175.800 -0.406 0.000 1.095 151 F CA -1.057 56.773 58.000 -0.284 0.000 1.174 151 F CB 0.565 39.523 39.000 -0.070 0.000 1.105 151 F HN 0.198 nan 8.300 nan 0.000 0.535 152 P HA 0.013 nan 4.420 nan 0.000 0.269 152 P C -0.635 176.762 177.300 0.162 0.000 1.215 152 P CA 0.520 63.391 63.100 -0.383 0.000 0.780 152 P CB 0.840 32.425 31.700 -0.191 0.000 0.898 153 Y N 0.703 120.970 120.300 -0.055 0.000 3.341 153 Y HA 0.362 4.911 4.550 -0.001 0.000 0.179 153 Y C 0.024 176.043 175.900 0.198 0.000 0.929 153 Y CA 0.165 58.252 58.100 -0.022 0.000 1.758 153 Y CB 0.043 38.301 38.460 -0.337 0.000 1.446 153 Y HN 0.168 nan 8.280 nan 0.000 0.337 154 F N 1.193 121.143 119.950 0.000 0.000 2.378 154 F HA 0.584 5.111 4.527 -0.001 0.000 0.325 154 F C 0.480 176.323 175.800 0.071 0.000 1.097 154 F CA -0.311 57.657 58.000 -0.055 0.000 1.079 154 F CB 1.276 40.243 39.000 -0.055 0.000 1.240 154 F HN 0.130 nan 8.300 nan 0.000 0.519 155 A N 1.211 124.140 122.820 0.181 0.000 2.525 155 A HA 0.752 5.072 4.320 -0.001 0.000 0.291 155 A C -1.048 176.542 177.584 0.010 0.000 1.268 155 A CA -0.628 51.490 52.037 0.135 0.000 0.712 155 A CB 1.945 21.066 19.000 0.201 0.000 1.320 155 A HN 0.542 nan 8.150 nan 0.000 0.456 156 T N 0.511 115.041 114.554 -0.041 0.000 3.105 156 T HA 0.481 4.830 4.350 -0.001 0.000 0.321 156 T C -1.895 172.797 174.700 -0.014 0.000 1.135 156 T CA -0.656 61.428 62.100 -0.027 0.000 1.053 156 T CB 0.646 69.537 68.868 0.039 0.000 1.133 156 T HN 0.558 nan 8.240 nan 0.000 0.463 157 N N 3.121 121.820 118.700 -0.002 0.000 2.421 157 N HA 0.398 5.137 4.740 -0.001 0.000 0.285 157 N C -1.290 174.294 175.510 0.123 0.000 1.027 157 N CA -0.441 52.633 53.050 0.039 0.000 0.918 157 N CB 1.312 39.806 38.487 0.012 0.000 1.152 157 N HN 0.618 nan 8.380 nan 0.000 0.485 158 W N 6.152 127.421 121.300 -0.051 0.000 2.237 158 W HA 0.321 4.981 4.660 -0.001 0.000 0.289 158 W C -2.793 173.716 176.519 -0.017 0.000 0.988 158 W CA -1.662 55.663 57.345 -0.033 0.000 1.671 158 W CB 0.728 30.169 29.460 -0.033 0.000 1.746 158 W HN 0.400 nan 8.180 nan 0.000 0.380 159 P HA 0.435 nan 4.420 nan 0.000 0.310 159 P C -0.914 176.492 177.300 0.176 0.000 1.309 159 P CA -0.233 62.980 63.100 0.188 0.000 0.769 159 P CB 2.543 34.316 31.700 0.121 0.000 1.327 160 V N -0.146 119.861 119.914 0.156 0.000 2.398 160 V HA 0.561 4.681 4.120 -0.001 0.000 0.286 160 V C 0.457 176.511 176.094 -0.066 0.000 1.026 160 V CA -0.740 61.587 62.300 0.046 0.000 0.868 160 V CB 0.666 32.542 31.823 0.088 0.000 0.982 160 V HN 0.723 nan 8.190 nan 0.000 0.443 161 A N 4.726 127.416 122.820 -0.218 0.000 2.290 161 A HA 0.798 5.118 4.320 -0.001 0.000 0.310 161 A C -1.223 176.268 177.584 -0.155 0.000 1.202 161 A CA -0.327 51.629 52.037 -0.136 0.000 0.837 161 A CB 0.360 19.174 19.000 -0.310 0.000 1.139 161 A HN 0.758 nan 8.150 nan 0.000 0.509 162 Y N 1.256 121.669 120.300 0.188 0.000 2.326 162 Y HA 0.266 4.816 4.550 -0.001 0.000 0.331 162 Y C 0.496 176.533 175.900 0.230 0.000 0.962 162 Y CA -0.414 57.807 58.100 0.202 0.000 1.167 162 Y CB 1.689 40.207 38.460 0.097 0.000 1.148 162 Y HN 0.837 nan 8.280 nan 0.000 0.463 163 N N 2.577 121.483 118.700 0.344 0.000 2.399 163 N HA 0.045 4.785 4.740 -0.001 0.000 0.259 163 N C 1.197 176.809 175.510 0.171 0.000 1.160 163 N CA -0.231 52.938 53.050 0.197 0.000 0.946 163 N CB 0.534 38.986 38.487 -0.058 0.000 1.156 163 N HN 0.580 nan 8.380 nan 0.000 0.489 164 R N 3.580 124.190 120.500 0.184 0.000 2.092 164 R HA -0.019 4.321 4.340 -0.001 0.000 0.231 164 R C 1.806 178.127 176.300 0.035 0.000 1.119 164 R CA 1.604 57.771 56.100 0.112 0.000 0.970 164 R CB -0.504 29.863 30.300 0.113 0.000 0.864 164 R HN 0.739 nan 8.270 nan 0.000 0.440 165 A N -0.294 122.515 122.820 -0.019 0.000 1.969 165 A HA -0.069 4.251 4.320 -0.001 0.000 0.218 165 A C 1.797 179.314 177.584 -0.111 0.000 1.169 165 A CA 0.963 52.895 52.037 -0.175 0.000 0.635 165 A CB -0.340 18.319 19.000 -0.568 0.000 0.810 165 A HN 0.213 nan 8.150 nan 0.000 0.445 166 L N -1.047 120.139 121.223 -0.062 0.000 2.072 166 L HA -0.046 4.293 4.340 -0.001 0.000 0.205 166 L C 2.317 179.175 176.870 -0.020 0.000 1.079 166 L CA 1.179 55.991 54.840 -0.046 0.000 0.752 166 L CB -0.981 41.052 42.059 -0.043 0.000 0.906 166 L HN 0.261 nan 8.230 nan 0.000 0.436 167 L N -0.543 120.684 121.223 0.007 0.000 1.994 167 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 167 L C 2.243 179.107 176.870 -0.010 0.000 1.071 167 L CA 1.662 56.510 54.840 0.012 0.000 0.745 167 L CB -0.918 41.162 42.059 0.035 0.000 0.892 167 L HN 0.262 nan 8.230 nan 0.000 0.431 168 D N -0.968 119.420 120.400 -0.019 0.000 2.104 168 D HA -0.225 4.414 4.640 -0.001 0.000 0.194 168 D C 2.337 178.617 176.300 -0.033 0.000 0.994 168 D CA 1.101 55.085 54.000 -0.027 0.000 0.830 168 D CB -0.110 40.669 40.800 -0.035 0.000 0.959 168 D HN 0.165 nan 8.370 nan 0.000 0.452 169 R N 0.667 121.142 120.500 -0.042 0.000 2.117 169 R HA -0.115 4.225 4.340 -0.001 0.000 0.243 169 R C 1.897 178.179 176.300 -0.030 0.000 1.143 169 R CA 1.728 57.803 56.100 -0.042 0.000 0.968 169 R CB -0.197 30.072 30.300 -0.052 0.000 0.863 169 R HN 0.117 nan 8.270 nan 0.000 0.444 170 A N -1.130 121.675 122.820 -0.025 0.000 2.169 170 A HA 0.242 4.562 4.320 -0.001 0.000 0.212 170 A C 1.406 178.979 177.584 -0.018 0.000 1.153 170 A CA 0.755 52.780 52.037 -0.019 0.000 0.756 170 A CB -0.118 18.873 19.000 -0.015 0.000 0.813 170 A HN 0.607 nan 8.150 nan 0.000 0.471 171 G N -1.805 106.983 108.800 -0.019 0.000 2.134 171 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.209 171 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.209 171 G C -0.037 174.852 174.900 -0.019 0.000 0.993 171 G CA -0.021 45.068 45.100 -0.019 0.000 0.669 171 G HN 0.782 nan 8.290 nan 0.000 0.519 172 V N 1.529 121.432 119.914 -0.018 0.000 2.333 172 V HA 0.339 4.459 4.120 -0.001 0.000 0.274 172 V C 0.536 176.616 176.094 -0.024 0.000 1.028 172 V CA -0.277 62.011 62.300 -0.021 0.000 0.851 172 V CB 1.465 33.278 31.823 -0.017 0.000 1.000 172 V HN 0.254 nan 8.190 nan 0.000 0.456 173 D N 3.640 124.023 120.400 -0.027 0.000 2.339 173 D HA 0.314 4.953 4.640 -0.001 0.000 0.217 173 D C 0.590 176.868 176.300 -0.036 0.000 1.050 173 D CA 0.587 54.571 54.000 -0.027 0.000 0.856 173 D CB 1.205 41.991 40.800 -0.023 0.000 0.922 173 D HN 0.638 nan 8.370 nan 0.000 0.518 174 A N 0.265 123.055 122.820 -0.051 0.000 2.572 174 A HA 0.527 4.847 4.320 -0.001 0.000 0.295 174 A C -0.638 176.874 177.584 -0.120 0.000 1.072 174 A CA -0.647 51.345 52.037 -0.074 0.000 0.691 174 A CB 1.281 20.240 19.000 -0.067 0.000 1.291 174 A HN 0.013 nan 8.150 nan 0.000 0.404 175 I N 3.274 123.732 120.570 -0.186 0.000 2.533 175 I HA 0.202 4.371 4.170 -0.001 0.000 0.284 175 I C -1.598 174.329 176.117 -0.316 0.000 1.109 175 I CA -1.183 59.897 61.300 -0.367 0.000 1.412 175 I CB 1.110 38.795 38.000 -0.525 0.000 1.396 175 I HN 0.462 nan 8.210 nan 0.000 0.543 176 P HA 0.064 nan 4.420 nan 0.000 0.271 176 P C 0.190 177.374 177.300 -0.194 0.000 1.216 176 P CA -0.140 62.845 63.100 -0.192 0.000 0.776 176 P CB 1.029 32.646 31.700 -0.138 0.000 0.881 177 T N -2.112 112.371 114.554 -0.118 0.000 3.004 177 T HA 0.154 4.504 4.350 -0.001 0.000 0.266 177 T C 0.615 175.293 174.700 -0.037 0.000 0.986 177 T CA 0.174 62.227 62.100 -0.078 0.000 0.902 177 T CB -0.312 68.520 68.868 -0.060 0.000 1.118 177 T HN 0.562 nan 8.240 nan 0.000 0.522 178 T N -2.427 112.108 114.554 -0.031 0.000 2.916 178 T HA 0.685 5.034 4.350 -0.001 0.000 0.292 178 T C 1.524 176.252 174.700 0.046 0.000 1.064 178 T CA -0.121 61.986 62.100 0.011 0.000 1.011 178 T CB 1.358 70.232 68.868 0.009 0.000 1.152 178 T HN 0.010 nan 8.240 nan 0.000 0.510 179 G N 0.643 109.529 108.800 0.145 0.000 2.446 179 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.217 179 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.217 179 G C 1.030 176.013 174.900 0.139 0.000 1.168 179 G CA 0.892 46.151 45.100 0.266 0.000 0.771 179 G HN 0.821 nan 8.290 nan 0.000 0.551 180 D N 0.394 120.862 120.400 0.114 0.000 2.123 180 D HA -0.107 4.532 4.640 -0.001 0.000 0.196 180 D C 2.614 178.926 176.300 0.020 0.000 0.992 180 D CA 1.019 55.062 54.000 0.072 0.000 0.833 180 D CB -0.269 40.569 40.800 0.064 0.000 0.954 180 D HN 0.419 nan 8.370 nan 0.000 0.455 181 Q N -0.191 119.611 119.800 0.003 0.000 2.119 181 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 181 Q C 2.228 178.199 176.000 -0.048 0.000 0.972 181 Q CA 0.508 56.295 55.803 -0.027 0.000 0.847 181 Q CB -0.082 28.630 28.738 -0.042 0.000 0.903 181 Q HN 0.168 nan 8.270 nan 0.000 0.433 182 L N 0.606 121.792 121.223 -0.061 0.000 2.046 182 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 182 L C 1.905 178.715 176.870 -0.101 0.000 1.077 182 L CA 1.628 56.403 54.840 -0.109 0.000 0.747 182 L CB -0.322 41.626 42.059 -0.185 0.000 0.896 182 L HN 0.208 nan 8.230 nan 0.000 0.432 183 I N -0.417 120.107 120.570 -0.077 0.000 2.226 183 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 183 I C 2.584 178.661 176.117 -0.066 0.000 1.100 183 I CA 1.157 62.402 61.300 -0.091 0.000 1.374 183 I CB -0.645 37.303 38.000 -0.086 0.000 1.057 183 I HN 0.376 nan 8.210 nan 0.000 0.413 184 A N 0.758 123.552 122.820 -0.043 0.000 1.908 184 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 184 A C 2.515 180.077 177.584 -0.036 0.000 1.181 184 A CA 1.966 53.983 52.037 -0.033 0.000 0.627 184 A CB -0.753 18.234 19.000 -0.022 0.000 0.818 184 A HN 0.452 nan 8.150 nan 0.000 0.445 185 A N -0.307 122.488 122.820 -0.041 0.000 1.929 185 A HA 0.243 4.562 4.320 -0.001 0.000 0.216 185 A C 2.494 180.058 177.584 -0.034 0.000 1.176 185 A CA 1.828 53.846 52.037 -0.033 0.000 0.628 185 A CB -0.961 18.021 19.000 -0.030 0.000 0.816 185 A HN 1.023 nan 8.150 nan 0.000 0.444 186 A N -0.066 122.722 122.820 -0.054 0.000 1.908 186 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 186 A C 2.193 179.750 177.584 -0.045 0.000 1.181 186 A CA 1.615 53.616 52.037 -0.060 0.000 0.627 186 A CB -0.433 18.505 19.000 -0.103 0.000 0.818 186 A HN 0.390 nan 8.150 nan 0.000 0.445 187 R N 0.128 120.601 120.500 -0.045 0.000 2.075 187 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 187 R C 1.973 178.259 176.300 -0.024 0.000 1.126 187 R CA 1.540 57.620 56.100 -0.034 0.000 0.963 187 R CB -0.733 29.547 30.300 -0.033 0.000 0.858 187 R HN 0.612 nan 8.270 nan 0.000 0.435 188 K N 0.536 120.922 120.400 -0.023 0.000 2.057 188 K HA -0.044 4.276 4.320 -0.001 0.000 0.207 188 K C 2.298 178.889 176.600 -0.016 0.000 1.049 188 K CA 1.012 57.288 56.287 -0.018 0.000 0.931 188 K CB -0.215 32.274 32.500 -0.018 0.000 0.714 188 K HN 0.061 nan 8.250 nan 0.000 0.440 189 L N 0.541 121.756 121.223 -0.015 0.000 1.994 189 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 189 L C 2.509 179.373 176.870 -0.010 0.000 1.071 189 L CA 1.410 56.243 54.840 -0.010 0.000 0.745 189 L CB -0.322 41.735 42.059 -0.004 0.000 0.892 189 L HN 0.125 nan 8.230 nan 0.000 0.431 190 R N -0.413 120.081 120.500 -0.011 0.000 2.159 190 R HA -0.163 4.176 4.340 -0.001 0.000 0.237 190 R C 2.301 178.595 176.300 -0.009 0.000 1.131 190 R CA 1.177 57.272 56.100 -0.008 0.000 0.982 190 R CB -0.431 29.864 30.300 -0.009 0.000 0.868 190 R HN 0.395 nan 8.270 nan 0.000 0.453 191 A N 0.778 123.591 122.820 -0.011 0.000 2.015 191 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 191 A C 1.483 179.061 177.584 -0.011 0.000 1.163 191 A CA 1.170 53.200 52.037 -0.011 0.000 0.646 191 A CB 0.050 19.043 19.000 -0.012 0.000 0.806 191 A HN 0.002 nan 8.150 nan 0.000 0.448 192 K N -1.056 119.337 120.400 -0.012 0.000 2.417 192 K HA 0.204 4.523 4.320 -0.001 0.000 0.196 192 K C 0.996 177.589 176.600 -0.013 0.000 1.023 192 K CA 0.579 56.857 56.287 -0.014 0.000 1.122 192 K CB -0.204 32.286 32.500 -0.017 0.000 0.850 192 K HN 0.729 nan 8.250 nan 0.000 0.521 193 G N 1.679 110.473 108.800 -0.009 0.000 2.136 193 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.242 193 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.242 193 G C 0.092 174.987 174.900 -0.007 0.000 0.989 193 G CA -0.000 45.096 45.100 -0.007 0.000 0.682 193 G HN 0.301 nan 8.290 nan 0.000 0.522 194 I N 0.971 121.536 120.570 -0.008 0.000 2.392 194 I HA 0.630 4.800 4.170 -0.001 0.000 0.295 194 I C 0.870 176.989 176.117 0.003 0.000 0.985 194 I CA -0.709 60.587 61.300 -0.007 0.000 1.221 194 I CB 1.844 39.836 38.000 -0.014 0.000 1.366 194 I HN 0.234 nan 8.210 nan 0.000 0.467 195 A N 8.659 131.487 122.820 0.012 0.000 2.388 195 A HA 0.455 4.774 4.320 -0.001 0.000 0.257 195 A C -1.838 175.768 177.584 0.038 0.000 1.095 195 A CA -1.061 50.994 52.037 0.030 0.000 0.791 195 A CB 0.002 19.028 19.000 0.044 0.000 1.029 195 A HN 0.553 nan 8.150 nan 0.000 0.489 196 P HA 0.011 nan 4.420 nan 0.000 0.200 196 P C 0.107 177.453 177.300 0.077 0.000 1.198 196 P CA 0.633 63.752 63.100 0.032 0.000 0.892 196 P CB 0.003 31.694 31.700 -0.016 0.000 0.724 197 V N 0.709 120.684 119.914 0.101 0.000 2.350 197 V HA 0.276 4.395 4.120 -0.001 0.000 0.276 197 V C 0.644 176.912 176.094 0.290 0.000 1.028 197 V CA -0.221 62.209 62.300 0.217 0.000 0.860 197 V CB 0.625 32.639 31.823 0.318 0.000 0.990 197 V HN 0.250 nan 8.190 nan 0.000 0.453 198 T N 4.407 119.095 114.554 0.223 0.000 2.907 198 T HA 0.717 5.067 4.350 -0.001 0.000 0.284 198 T C -0.893 173.863 174.700 0.093 0.000 1.004 198 T CA -0.295 61.895 62.100 0.151 0.000 1.063 198 T CB 1.397 70.337 68.868 0.119 0.000 0.992 198 T HN 0.690 nan 8.240 nan 0.000 0.483 199 V N 2.848 122.741 119.914 -0.034 0.000 3.106 199 V HA 0.638 4.757 4.120 -0.001 0.000 0.280 199 V C -0.003 175.888 176.094 -0.339 0.000 1.525 199 V CA -0.257 61.931 62.300 -0.187 0.000 0.999 199 V CB 1.814 33.509 31.823 -0.213 0.000 1.186 199 V HN 1.115 nan 8.190 nan 0.000 0.448 200 G N 3.143 111.717 108.800 -0.377 0.000 2.716 200 G HA2 0.412 4.371 3.960 -0.001 0.000 0.296 200 G HA3 0.412 4.371 3.960 -0.001 0.000 0.296 200 G C 1.044 175.648 174.900 -0.492 0.000 0.811 200 G CA 0.318 45.188 45.100 -0.382 0.000 1.758 200 G HN 1.638 nan 8.290 nan 0.000 0.512 201 G N 1.798 110.232 108.800 -0.609 0.000 2.498 201 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.219 201 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.219 201 G C 1.274 175.976 174.900 -0.330 0.000 1.119 201 G CA 0.416 45.046 45.100 -0.784 0.000 0.766 201 G HN 0.578 nan 8.290 nan 0.000 0.552 202 N N 0.362 118.924 118.700 -0.229 0.000 2.275 202 N HA 0.165 4.905 4.740 -0.001 0.000 0.236 202 N C -0.525 174.931 175.510 -0.090 0.000 1.154 202 N CA -0.023 52.958 53.050 -0.115 0.000 0.866 202 N CB 0.425 38.867 38.487 -0.075 0.000 1.093 202 N HN 0.460 nan 8.380 nan 0.000 0.515 203 D N -2.497 117.821 120.400 -0.136 0.000 2.921 203 D HA 0.061 4.700 4.640 -0.001 0.000 0.329 203 D C 1.314 177.570 176.300 -0.074 0.000 1.293 203 D CA -0.741 53.218 54.000 -0.069 0.000 0.964 203 D CB -0.559 40.202 40.800 -0.065 0.000 1.435 203 D HN 0.032 nan 8.370 nan 0.000 0.548 204 W N 0.281 121.567 121.300 -0.022 0.000 2.341 204 W HA -0.197 4.463 4.660 -0.001 0.000 0.283 204 W C 1.209 177.755 176.519 0.044 0.000 1.215 204 W CA 2.518 59.868 57.345 0.009 0.000 1.211 204 W CB -2.057 27.420 29.460 0.029 0.000 1.131 204 W HN 0.472 nan 8.180 nan 0.000 0.552 205 T N -0.618 113.490 114.554 -0.744 0.000 2.701 205 T HA -0.012 4.338 4.350 -0.001 0.000 0.263 205 T C 2.265 176.807 174.700 -0.263 0.000 1.040 205 T CA 1.904 63.659 62.100 -0.576 0.000 1.147 205 T CB -1.344 67.034 68.868 -0.816 0.000 0.865 205 T HN 0.179 nan 8.240 nan 0.000 0.426 206 G N 1.492 110.088 108.800 -0.341 0.000 2.432 206 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.219 206 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.219 206 G C 1.628 176.482 174.900 -0.077 0.000 1.135 206 G CA 1.173 46.075 45.100 -0.330 0.000 0.767 206 G HN 0.670 nan 8.290 nan 0.000 0.550 207 Q N 1.080 120.838 119.800 -0.070 0.000 2.061 207 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 207 Q C 2.260 178.215 176.000 -0.074 0.000 0.984 207 Q CA 1.856 57.647 55.803 -0.021 0.000 0.846 207 Q CB -0.213 28.550 28.738 0.041 0.000 0.902 207 Q HN 0.300 nan 8.270 nan 0.000 0.421 208 K N 0.292 120.639 120.400 -0.089 0.000 2.167 208 K HA 0.019 4.339 4.320 -0.001 0.000 0.203 208 K C 2.169 178.583 176.600 -0.309 0.000 1.052 208 K CA 0.758 56.893 56.287 -0.254 0.000 0.956 208 K CB -0.530 31.713 32.500 -0.429 0.000 0.735 208 K HN 0.331 nan 8.250 nan 0.000 0.451 209 L N 0.985 122.077 121.223 -0.219 0.000 2.083 209 L HA -0.097 4.242 4.340 -0.001 0.000 0.209 209 L C 2.307 178.979 176.870 -0.329 0.000 1.083 209 L CA 0.837 55.521 54.840 -0.260 0.000 0.752 209 L CB -0.171 41.800 42.059 -0.147 0.000 0.899 209 L HN 0.154 nan 8.230 nan 0.000 0.433 210 L N -0.550 120.492 121.223 -0.300 0.000 2.017 210 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 210 L C 2.691 179.364 176.870 -0.330 0.000 1.073 210 L CA 1.598 56.116 54.840 -0.536 0.000 0.745 210 L CB -0.428 41.312 42.059 -0.531 0.000 0.894 210 L HN 0.309 nan 8.230 nan 0.000 0.432 211 A N -0.670 122.031 122.820 -0.198 0.000 1.940 211 A HA -0.312 4.008 4.320 -0.001 0.000 0.219 211 A C 2.176 179.678 177.584 -0.136 0.000 1.176 211 A CA 1.963 53.945 52.037 -0.092 0.000 0.631 211 A CB -0.627 18.145 19.000 -0.381 0.000 0.814 211 A HN 0.654 nan 8.150 nan 0.000 0.446 212 Q N -0.297 119.351 119.800 -0.253 0.000 2.050 212 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 212 Q C 1.952 177.857 176.000 -0.158 0.000 0.980 212 Q CA 1.785 57.446 55.803 -0.237 0.000 0.840 212 Q CB -0.262 28.279 28.738 -0.328 0.000 0.898 212 Q HN 0.691 nan 8.270 nan 0.000 0.424 213 I N 0.547 120.967 120.570 -0.250 0.000 2.286 213 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 213 I C 2.213 178.418 176.117 0.146 0.000 1.115 213 I CA 0.932 62.153 61.300 -0.132 0.000 1.392 213 I CB -0.220 37.644 38.000 -0.226 0.000 1.065 213 I HN 0.305 nan 8.210 nan 0.000 0.418 214 I N 0.361 120.991 120.570 0.101 0.000 2.361 214 I HA -0.286 3.883 4.170 -0.001 0.000 0.251 214 I C 2.107 178.394 176.117 0.282 0.000 1.133 214 I CA 1.328 62.767 61.300 0.233 0.000 1.413 214 I CB -0.341 37.785 38.000 0.210 0.000 1.073 214 I HN 0.311 nan 8.210 nan 0.000 0.424 215 Q N 0.024 119.948 119.800 0.206 0.000 2.515 215 Q HA -0.078 4.262 4.340 -0.001 0.000 0.212 215 Q C 1.744 177.911 176.000 0.279 0.000 0.970 215 Q CA 0.702 56.640 55.803 0.225 0.000 0.941 215 Q CB -0.122 28.702 28.738 0.144 0.000 0.998 215 Q HN 0.458 nan 8.270 nan 0.000 0.518 216 T N -0.032 114.661 114.554 0.232 0.000 2.897 216 T HA -0.118 4.232 4.350 -0.001 0.000 0.271 216 T C 0.424 174.963 174.700 -0.267 0.000 1.084 216 T CA 1.081 63.226 62.100 0.075 0.000 1.123 216 T CB -0.028 68.866 68.868 0.043 0.000 0.865 216 T HN 0.246 nan 8.240 nan 0.000 0.496 217 F N 0.295 120.323 119.950 0.130 0.000 2.764 217 F HA 0.474 5.001 4.527 -0.001 0.000 0.310 217 F C -0.044 175.751 175.800 -0.008 0.000 1.124 217 F CA -0.504 57.508 58.000 0.021 0.000 1.252 217 F CB 0.455 39.477 39.000 0.036 0.000 1.010 217 F HN -0.055 nan 8.300 nan 0.000 0.518 218 L N 0.458 121.761 121.223 0.133 0.000 2.409 218 L HA 0.440 4.780 4.340 -0.001 0.000 0.272 218 L C 0.301 177.197 176.870 0.044 0.000 0.980 218 L CA -0.908 53.987 54.840 0.091 0.000 0.826 218 L CB 2.111 44.250 42.059 0.134 0.000 1.268 218 L HN 0.069 nan 8.230 nan 0.000 0.407 219 S N 1.314 117.007 115.700 -0.011 0.000 2.600 219 S HA 0.138 4.608 4.470 -0.001 0.000 0.265 219 S C 0.733 175.368 174.600 0.059 0.000 1.325 219 S CA -0.435 57.770 58.200 0.009 0.000 1.002 219 S CB 1.266 64.454 63.200 -0.020 0.000 0.921 219 S HN 0.730 nan 8.310 nan 0.000 0.554 220 Q N 0.212 120.056 119.800 0.074 0.000 2.181 220 Q HA -0.164 4.175 4.340 -0.001 0.000 0.205 220 Q C 1.280 177.254 176.000 -0.044 0.000 0.980 220 Q CA 1.746 57.559 55.803 0.017 0.000 0.862 220 Q CB -0.189 28.561 28.738 0.019 0.000 0.905 220 Q HN 0.712 nan 8.270 nan 0.000 0.429 221 D N 0.452 120.836 120.400 -0.027 0.000 2.097 221 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 221 D C 1.578 177.855 176.300 -0.039 0.000 0.984 221 D CA 1.078 55.052 54.000 -0.044 0.000 0.826 221 D CB 0.040 40.823 40.800 -0.028 0.000 0.973 221 D HN 0.338 nan 8.370 nan 0.000 0.460 222 E N 0.761 120.949 120.200 -0.019 0.000 2.110 222 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 222 E C 2.091 178.693 176.600 0.003 0.000 0.988 222 E CA 0.877 57.277 56.400 -0.000 0.000 0.804 222 E CB 0.002 29.702 29.700 0.001 0.000 0.745 222 E HN 0.164 nan 8.360 nan 0.000 0.458 223 A N 1.612 124.430 122.820 -0.003 0.000 1.877 223 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 223 A C 2.062 179.614 177.584 -0.053 0.000 1.186 223 A CA 1.261 53.314 52.037 0.026 0.000 0.620 223 A CB -0.374 18.649 19.000 0.038 0.000 0.822 223 A HN 0.076 nan 8.150 nan 0.000 0.443 224 R N -1.496 118.868 120.500 -0.227 0.000 2.091 224 R HA -0.203 4.137 4.340 -0.001 0.000 0.238 224 R C 2.270 178.458 176.300 -0.186 0.000 1.136 224 R CA 1.779 57.599 56.100 -0.467 0.000 0.959 224 R CB -0.644 29.285 30.300 -0.619 0.000 0.856 224 R HN 0.825 nan 8.270 nan 0.000 0.437 225 H N 0.754 119.717 119.070 -0.177 0.000 2.321 225 H HA -0.065 4.490 4.556 -0.001 0.000 0.300 225 H C 1.888 177.078 175.328 -0.231 0.000 1.087 225 H CA 1.781 57.738 56.048 -0.152 0.000 1.319 225 H CB -0.177 29.503 29.762 -0.137 0.000 1.379 225 H HN -0.084 nan 8.280 nan 0.000 0.501 226 V N 0.084 119.729 119.914 -0.447 0.000 2.233 226 V HA -0.303 3.817 4.120 -0.001 0.000 0.247 226 V C 1.971 177.508 176.094 -0.929 0.000 1.050 226 V CA 2.207 64.025 62.300 -0.802 0.000 1.010 226 V CB -0.841 30.503 31.823 -0.798 0.000 0.637 226 V HN 0.493 nan 8.190 nan 0.000 0.444 227 Y N 0.078 120.153 120.300 -0.375 0.000 2.574 227 Y HA -0.092 4.458 4.550 -0.001 0.000 0.294 227 Y C 2.638 178.574 175.900 0.060 0.000 1.142 227 Y CA 1.179 59.218 58.100 -0.101 0.000 1.314 227 Y CB -0.250 38.230 38.460 0.032 0.000 0.991 227 Y HN 0.167 nan 8.280 nan 0.000 0.555 228 S N -1.266 114.438 115.700 0.006 0.000 2.404 228 S HA -0.102 4.368 4.470 -0.001 0.000 0.223 228 S C 2.120 176.725 174.600 0.008 0.000 1.040 228 S CA 1.505 59.759 58.200 0.090 0.000 0.957 228 S CB -0.286 62.950 63.200 0.061 0.000 0.826 228 S HN 0.619 nan 8.310 nan 0.000 0.491 229 T N -1.722 112.659 114.554 -0.288 0.000 3.044 229 T HA 0.374 4.723 4.350 -0.001 0.000 0.250 229 T C 1.376 175.753 174.700 -0.540 0.000 1.081 229 T CA 0.822 62.724 62.100 -0.330 0.000 1.040 229 T CB 0.194 68.793 68.868 -0.448 0.000 0.962 229 T HN 0.529 nan 8.240 nan 0.000 0.506 230 G N 1.926 110.105 108.800 -1.036 0.000 2.176 230 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.252 230 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.252 230 G C -0.239 174.187 174.900 -0.790 0.000 1.024 230 G CA 0.118 44.278 45.100 -1.566 0.000 0.755 230 G HN 0.743 nan 8.290 nan 0.000 0.507 231 D N -0.377 119.549 120.400 -0.789 0.000 2.500 231 D HA 0.478 5.117 4.640 -0.001 0.000 0.219 231 D C 0.729 176.718 176.300 -0.519 0.000 1.137 231 D CA -1.018 52.697 54.000 -0.476 0.000 0.946 231 D CB -0.530 40.067 40.800 -0.338 0.000 1.022 231 D HN 0.120 nan 8.370 nan 0.000 0.518 232 F N 1.068 120.856 119.950 -0.270 0.000 2.676 232 F HA 0.295 4.821 4.527 -0.001 0.000 0.300 232 F C 2.093 177.820 175.800 -0.122 0.000 1.160 232 F CA -0.271 57.603 58.000 -0.210 0.000 1.401 232 F CB 0.720 39.595 39.000 -0.208 0.000 1.037 232 F HN 0.467 nan 8.300 nan 0.000 0.522 233 G N -0.253 108.544 108.800 -0.005 0.000 2.887 233 G HA2 0.127 4.087 3.960 -0.001 0.000 0.211 233 G HA3 0.127 4.087 3.960 -0.001 0.000 0.211 233 G C 0.571 175.462 174.900 -0.014 0.000 1.152 233 G CA 0.278 45.378 45.100 0.001 0.000 0.769 233 G HN 0.167 nan 8.290 nan 0.000 0.541 234 V N -1.033 118.863 119.914 -0.030 0.000 2.872 234 V HA 0.258 4.378 4.120 -0.001 0.000 0.307 234 V C 1.743 177.826 176.094 -0.019 0.000 1.072 234 V CA -0.075 62.211 62.300 -0.024 0.000 1.148 234 V CB 1.049 32.861 31.823 -0.018 0.000 0.954 234 V HN 0.344 nan 8.190 nan 0.000 0.490 235 R N 3.099 123.583 120.500 -0.026 0.000 2.119 235 R HA -0.146 4.193 4.340 -0.001 0.000 0.246 235 R C 2.029 178.306 176.300 -0.040 0.000 1.146 235 R CA 2.374 58.451 56.100 -0.039 0.000 0.962 235 R CB -0.943 29.331 30.300 -0.044 0.000 0.863 235 R HN 1.028 nan 8.270 nan 0.000 0.442 236 G N -0.448 108.353 108.800 0.001 0.000 2.402 236 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 236 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 236 G C 1.506 176.463 174.900 0.096 0.000 1.162 236 G CA 0.666 45.805 45.100 0.065 0.000 0.777 236 G HN 0.492 nan 8.290 nan 0.000 0.539 237 A N 0.916 123.776 122.820 0.066 0.000 1.902 237 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 237 A C 2.454 180.104 177.584 0.110 0.000 1.181 237 A CA 1.474 53.578 52.037 0.111 0.000 0.623 237 A CB -0.318 18.721 19.000 0.065 0.000 0.818 237 A HN 0.351 nan 8.150 nan 0.000 0.443 238 R N -1.162 119.363 120.500 0.042 0.000 2.092 238 R HA -0.024 4.316 4.340 -0.001 0.000 0.231 238 R C 1.823 178.104 176.300 -0.030 0.000 1.119 238 R CA 1.022 57.132 56.100 0.016 0.000 0.970 238 R CB -0.511 29.780 30.300 -0.015 0.000 0.864 238 R HN 0.368 nan 8.270 nan 0.000 0.440 239 L N 0.269 121.409 121.223 -0.137 0.000 2.083 239 L HA -0.051 4.289 4.340 -0.001 0.000 0.209 239 L C 2.343 179.087 176.870 -0.210 0.000 1.083 239 L CA 1.876 56.461 54.840 -0.426 0.000 0.752 239 L CB -1.168 40.349 42.059 -0.903 0.000 0.899 239 L HN 0.254 nan 8.230 nan 0.000 0.433 240 G N -1.136 107.771 108.800 0.178 0.000 2.394 240 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.215 240 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.215 240 G C 1.726 176.853 174.900 0.379 0.000 1.165 240 G CA 0.549 45.954 45.100 0.509 0.000 0.784 240 G HN 0.349 nan 8.290 nan 0.000 0.535 241 I N 0.636 121.346 120.570 0.233 0.000 2.208 241 I HA -0.184 3.985 4.170 -0.001 0.000 0.245 241 I C 2.703 178.961 176.117 0.235 0.000 1.097 241 I CA 1.605 63.028 61.300 0.205 0.000 1.363 241 I CB -0.169 37.896 38.000 0.108 0.000 1.051 241 I HN 0.337 nan 8.210 nan 0.000 0.413 242 E N 0.649 120.950 120.200 0.168 0.000 2.058 242 E HA -0.311 4.038 4.350 -0.001 0.000 0.194 242 E C 2.353 179.112 176.600 0.264 0.000 0.997 242 E CA 1.569 58.056 56.400 0.145 0.000 0.801 242 E CB -0.288 29.440 29.700 0.047 0.000 0.746 242 E HN 0.478 nan 8.360 nan 0.000 0.450 243 Y N 0.662 121.089 120.300 0.211 0.000 2.145 243 Y HA -0.252 4.298 4.550 -0.001 0.000 0.286 243 Y C 1.962 178.058 175.900 0.327 0.000 1.145 243 Y CA 1.803 60.096 58.100 0.322 0.000 1.148 243 Y CB -0.945 37.819 38.460 0.507 0.000 0.981 243 Y HN 0.210 nan 8.280 nan 0.000 0.507 244 F N 0.735 120.753 119.950 0.112 0.000 2.095 244 F HA -0.150 4.377 4.527 -0.001 0.000 0.298 244 F C 2.329 178.136 175.800 0.012 0.000 1.104 244 F CA 1.938 59.915 58.000 -0.038 0.000 1.232 244 F CB -1.001 37.957 39.000 -0.070 0.000 0.987 244 F HN 0.058 nan 8.300 nan 0.000 0.475 245 A N -0.526 122.213 122.820 -0.135 0.000 1.933 245 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 245 A C 2.390 179.910 177.584 -0.106 0.000 1.175 245 A CA 1.800 53.714 52.037 -0.205 0.000 0.628 245 A CB -1.493 17.506 19.000 -0.002 0.000 0.814 245 A HN 0.712 nan 8.150 nan 0.000 0.444 246 H N -0.238 118.789 119.070 -0.073 0.000 2.326 246 H HA -0.050 4.506 4.556 -0.001 0.000 0.301 246 H C 1.972 177.254 175.328 -0.076 0.000 1.081 246 H CA 1.694 57.730 56.048 -0.021 0.000 1.334 246 H CB -0.067 29.753 29.762 0.097 0.000 1.385 246 H HN 0.425 nan 8.280 nan 0.000 0.504 247 L N 0.385 121.507 121.223 -0.167 0.000 2.017 247 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 247 L C 2.997 179.690 176.870 -0.296 0.000 1.073 247 L CA 1.517 56.195 54.840 -0.269 0.000 0.745 247 L CB -0.453 41.460 42.059 -0.243 0.000 0.894 247 L HN 0.257 nan 8.230 nan 0.000 0.432 248 R N 0.381 120.711 120.500 -0.284 0.000 2.070 248 R HA -0.196 4.143 4.340 -0.001 0.000 0.233 248 R C 1.815 178.047 176.300 -0.113 0.000 1.137 248 R CA 2.116 58.127 56.100 -0.148 0.000 0.945 248 R CB -0.261 29.777 30.300 -0.436 0.000 0.845 248 R HN 0.261 nan 8.270 nan 0.000 0.430 249 D N 0.201 120.515 120.400 -0.145 0.000 2.263 249 D HA -0.093 4.546 4.640 -0.001 0.000 0.208 249 D C 1.275 177.512 176.300 -0.105 0.000 0.971 249 D CA 1.283 55.230 54.000 -0.089 0.000 0.867 249 D CB 0.009 40.777 40.800 -0.054 0.000 0.929 249 D HN 0.454 nan 8.370 nan 0.000 0.492 250 A N -0.395 122.317 122.820 -0.180 0.000 2.238 250 A HA 0.412 4.732 4.320 -0.001 0.000 0.208 250 A C 1.668 179.173 177.584 -0.132 0.000 1.177 250 A CA 0.867 52.793 52.037 -0.186 0.000 0.804 250 A CB -0.164 18.657 19.000 -0.298 0.000 0.823 250 A HN 0.210 nan 8.150 nan 0.000 0.482 251 G N -1.576 107.162 108.800 -0.102 0.000 2.149 251 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.235 251 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.235 251 G C 0.776 175.609 174.900 -0.111 0.000 1.018 251 G CA 0.345 45.408 45.100 -0.063 0.000 0.728 251 G HN 0.560 nan 8.290 nan 0.000 0.508 252 V N -0.765 119.001 119.914 -0.246 0.000 2.515 252 V HA 0.167 4.286 4.120 -0.001 0.000 0.250 252 V C 1.454 177.294 176.094 -0.424 0.000 1.058 252 V CA 1.628 63.684 62.300 -0.407 0.000 1.064 252 V CB -0.446 30.994 31.823 -0.639 0.000 0.675 252 V HN 0.374 nan 8.190 nan 0.000 0.461 253 F N -0.448 119.577 119.950 0.126 0.000 2.403 253 F HA 0.691 5.218 4.527 -0.001 0.000 0.326 253 F C 0.715 176.577 175.800 0.102 0.000 1.081 253 F CA -1.031 57.071 58.000 0.170 0.000 1.041 253 F CB 0.359 39.534 39.000 0.291 0.000 1.234 253 F HN -0.068 nan 8.300 nan 0.000 0.503 254 A N 0.753 123.736 122.820 0.273 0.000 2.507 254 A HA 0.133 4.452 4.320 -0.001 0.000 0.235 254 A C -0.130 177.535 177.584 0.134 0.000 1.070 254 A CA -0.579 51.547 52.037 0.149 0.000 0.768 254 A CB -0.191 18.873 19.000 0.106 0.000 1.011 254 A HN 0.682 nan 8.150 nan 0.000 0.502 255 D N 0.988 121.440 120.400 0.086 0.000 2.472 255 D HA 0.142 4.782 4.640 -0.001 0.000 0.237 255 D C 0.355 176.691 176.300 0.060 0.000 1.141 255 D CA 0.817 54.859 54.000 0.070 0.000 0.875 255 D CB 0.383 41.210 40.800 0.045 0.000 1.192 255 D HN 0.583 nan 8.370 nan 0.000 0.450 256 K N 0.270 120.707 120.400 0.060 0.000 3.209 256 K HA -0.265 4.054 4.320 -0.001 0.000 0.289 256 K C 1.003 177.616 176.600 0.023 0.000 1.191 256 K CA 0.571 56.883 56.287 0.041 0.000 0.851 256 K CB -1.538 30.975 32.500 0.023 0.000 1.242 256 K HN 0.478 nan 8.250 nan 0.000 0.480 257 A N 1.695 124.541 122.820 0.043 0.000 2.032 257 A HA -0.265 4.054 4.320 -0.001 0.000 0.221 257 A C 2.209 179.704 177.584 -0.148 0.000 1.165 257 A CA 1.800 53.807 52.037 -0.049 0.000 0.645 257 A CB -0.364 18.637 19.000 0.002 0.000 0.807 257 A HN 0.593 nan 8.150 nan 0.000 0.453 258 Q N -0.590 119.198 119.800 -0.020 0.000 2.439 258 Q HA -0.047 4.292 4.340 -0.001 0.000 0.211 258 Q C 1.344 177.311 176.000 -0.056 0.000 0.978 258 Q CA 1.627 57.423 55.803 -0.011 0.000 0.897 258 Q CB -0.632 28.158 28.738 0.087 0.000 0.956 258 Q HN 0.494 nan 8.270 nan 0.000 0.483 259 G N 0.629 109.393 108.800 -0.059 0.000 3.062 259 G HA2 0.295 4.255 3.960 -0.001 0.000 0.228 259 G HA3 0.295 4.255 3.960 -0.001 0.000 0.228 259 G C 0.484 175.338 174.900 -0.076 0.000 1.094 259 G CA -0.452 44.616 45.100 -0.052 0.000 0.782 259 G HN 0.128 nan 8.290 nan 0.000 0.541 260 L N 1.540 122.694 121.223 -0.114 0.000 2.472 260 L HA 0.472 4.811 4.340 -0.001 0.000 0.260 260 L C 0.991 177.768 176.870 -0.154 0.000 1.209 260 L CA -0.262 54.505 54.840 -0.121 0.000 0.817 260 L CB 1.079 43.057 42.059 -0.135 0.000 1.106 260 L HN 0.161 nan 8.230 nan 0.000 0.479 261 T N -3.693 110.779 114.554 -0.136 0.000 2.888 261 T HA 0.157 4.506 4.350 -0.001 0.000 0.288 261 T C 0.757 175.342 174.700 -0.191 0.000 1.063 261 T CA -0.217 61.791 62.100 -0.154 0.000 1.010 261 T CB 1.517 70.338 68.868 -0.078 0.000 1.214 261 T HN 0.458 nan 8.240 nan 0.000 0.533 262 S N -0.001 115.553 115.700 -0.243 0.000 2.387 262 S HA -0.183 4.286 4.470 -0.001 0.000 0.230 262 S C 1.363 175.893 174.600 -0.118 0.000 1.035 262 S CA 2.125 60.162 58.200 -0.271 0.000 1.014 262 S CB -1.053 62.015 63.200 -0.221 0.000 0.836 262 S HN 0.716 nan 8.310 nan 0.000 0.466 263 D N 1.330 121.698 120.400 -0.054 0.000 2.084 263 D HA 0.007 4.646 4.640 -0.001 0.000 0.194 263 D C 1.388 177.672 176.300 -0.027 0.000 0.990 263 D CA 0.976 54.963 54.000 -0.021 0.000 0.826 263 D CB -0.761 40.037 40.800 -0.003 0.000 0.971 263 D HN 0.428 nan 8.370 nan 0.000 0.453 267 T N 2.281 116.862 114.554 0.045 0.000 2.777 267 T HA -0.001 4.349 4.350 -0.001 0.000 0.266 267 T C 1.926 176.658 174.700 0.053 0.000 1.040 267 T CA 1.787 63.913 62.100 0.043 0.000 1.141 267 T CB -0.316 68.566 68.868 0.022 0.000 0.868 267 T HN 0.466 nan 8.240 nan 0.000 0.444 268 Q N -0.456 119.379 119.800 0.058 0.000 2.084 268 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 268 Q C 1.990 178.036 176.000 0.078 0.000 0.978 268 Q CA 1.359 57.196 55.803 0.057 0.000 0.844 268 Q CB -0.225 28.548 28.738 0.059 0.000 0.898 268 Q HN 0.503 nan 8.270 nan 0.000 0.426 269 F N 1.393 121.341 119.950 -0.004 0.000 2.163 269 F HA -0.112 4.415 4.527 -0.001 0.000 0.297 269 F C 1.760 177.564 175.800 0.006 0.000 1.094 269 F CA 0.978 58.979 58.000 0.002 0.000 1.290 269 F CB 0.040 39.034 39.000 -0.009 0.000 1.017 269 F HN 0.041 nan 8.300 nan 0.000 0.483 270 N N -0.255 118.555 118.700 0.183 0.000 2.244 270 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 270 N C 1.687 177.197 175.510 -0.001 0.000 1.016 270 N CA 1.840 54.949 53.050 0.099 0.000 0.866 270 N CB -0.973 37.577 38.487 0.105 0.000 0.980 270 N HN 0.398 nan 8.380 nan 0.000 0.430 271 T N -1.488 113.061 114.554 -0.007 0.000 3.219 271 T HA 0.172 4.522 4.350 -0.001 0.000 0.249 271 T C 0.098 174.767 174.700 -0.053 0.000 1.099 271 T CA -0.216 61.872 62.100 -0.020 0.000 0.988 271 T CB -0.325 68.541 68.868 -0.004 0.000 0.999 271 T HN 0.190 nan 8.240 nan 0.000 0.550 272 E N 0.670 120.799 120.200 -0.119 0.000 2.360 272 E HA -0.241 4.108 4.350 -0.001 0.000 0.238 272 E C 0.460 176.996 176.600 -0.107 0.000 1.186 272 E CA 0.756 57.056 56.400 -0.167 0.000 0.719 272 E CB -1.317 28.321 29.700 -0.104 0.000 1.236 272 E HN 0.765 nan 8.360 nan 0.000 0.386 273 E N -0.646 119.509 120.200 -0.075 0.000 2.340 273 E HA 0.180 4.530 4.350 -0.001 0.000 0.194 273 E C 0.579 177.164 176.600 -0.025 0.000 0.996 273 E CA 0.689 57.068 56.400 -0.036 0.000 0.869 273 E CB 0.534 30.227 29.700 -0.011 0.000 0.835 273 E HN 0.318 nan 8.360 nan 0.000 0.493 274 A N 0.221 123.021 122.820 -0.034 0.000 2.386 274 A HA 0.678 4.998 4.320 -0.001 0.000 0.311 274 A C 0.216 177.780 177.584 -0.034 0.000 1.068 274 A CA -0.252 51.796 52.037 0.017 0.000 0.743 274 A CB 1.507 20.567 19.000 0.100 0.000 1.258 274 A HN 0.102 nan 8.150 nan 0.000 0.429 275 A N 1.223 124.057 122.820 0.024 0.000 2.147 275 A HA 0.518 4.837 4.320 -0.001 0.000 0.211 275 A C 0.397 178.103 177.584 0.204 0.000 1.160 275 A CA 0.763 52.818 52.037 0.030 0.000 0.781 275 A CB 0.006 19.031 19.000 0.041 0.000 0.842 275 A HN 0.996 nan 8.150 nan 0.000 0.475 276 V N -0.147 119.908 119.914 0.235 0.000 2.876 276 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 276 V C -0.687 175.505 176.094 0.164 0.000 1.085 276 V CA -0.668 61.717 62.300 0.141 0.000 0.945 276 V CB 1.827 33.606 31.823 -0.073 0.000 1.017 276 V HN 0.464 nan 8.190 nan 0.000 0.428 277 Q N 1.620 121.383 119.800 -0.062 0.000 2.364 277 Q HA 0.402 4.741 4.340 -0.001 0.000 0.257 277 Q C -1.561 174.356 176.000 -0.139 0.000 0.956 277 Q CA -0.227 55.506 55.803 -0.116 0.000 0.924 277 Q CB 2.284 30.806 28.738 -0.360 0.000 1.413 277 Q HN 0.802 nan 8.270 nan 0.000 0.418 278 S N 2.069 117.794 115.700 0.042 0.000 2.499 278 S HA 0.914 5.383 4.470 -0.001 0.000 0.279 278 S C -0.876 173.770 174.600 0.076 0.000 1.219 278 S CA 0.593 58.877 58.200 0.140 0.000 1.062 278 S CB 0.965 64.320 63.200 0.259 0.000 0.978 278 S HN 0.737 nan 8.310 nan 0.000 0.489 282 S N 1.828 117.402 115.700 -0.209 0.000 2.370 282 S HA 0.009 4.478 4.470 -0.001 0.000 0.226 282 S C 2.009 176.525 174.600 -0.140 0.000 1.033 282 S CA 1.602 59.691 58.200 -0.184 0.000 1.011 282 S CB -0.404 62.686 63.200 -0.183 0.000 0.852 282 S HN 0.743 nan 8.310 nan 0.000 0.457 283 A N 0.796 123.521 122.820 -0.159 0.000 1.897 283 A HA 0.086 4.406 4.320 -0.001 0.000 0.215 283 A C 1.923 179.447 177.584 -0.101 0.000 1.181 283 A CA 0.901 52.868 52.037 -0.118 0.000 0.620 283 A CB -0.520 18.390 19.000 -0.150 0.000 0.821 283 A HN 0.380 nan 8.150 nan 0.000 0.443 284 L N -0.239 120.906 121.223 -0.130 0.000 2.191 284 L HA -0.073 4.266 4.340 -0.001 0.000 0.212 284 L C 2.777 179.641 176.870 -0.010 0.000 1.103 284 L CA 1.512 56.296 54.840 -0.093 0.000 0.769 284 L CB -0.872 41.124 42.059 -0.106 0.000 0.908 284 L HN 0.406 nan 8.230 nan 0.000 0.438 285 A N -1.213 121.604 122.820 -0.004 0.000 2.121 285 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 285 A C 2.103 179.779 177.584 0.153 0.000 1.154 285 A CA 1.203 53.301 52.037 0.102 0.000 0.679 285 A CB -0.337 18.646 19.000 -0.028 0.000 0.795 285 A HN 0.386 nan 8.150 nan 0.000 0.458 286 K N -0.399 120.043 120.400 0.070 0.000 2.372 286 K HA 0.249 4.569 4.320 -0.001 0.000 0.200 286 K C -0.463 176.175 176.600 0.064 0.000 1.022 286 K CA -0.223 56.107 56.287 0.071 0.000 1.125 286 K CB 0.753 33.279 32.500 0.043 0.000 0.855 286 K HN 0.211 nan 8.250 nan 0.000 0.524 287 V N 3.873 123.828 119.914 0.069 0.000 2.479 287 V HA 0.050 4.170 4.120 -0.001 0.000 0.281 287 V C -2.142 173.991 176.094 0.065 0.000 1.031 287 V CA -1.606 60.750 62.300 0.094 0.000 1.038 287 V CB 0.151 32.054 31.823 0.134 0.000 0.981 287 V HN 0.098 nan 8.190 nan 0.000 0.478 288 P HA -0.070 nan 4.420 nan 0.000 0.261 288 P C 0.996 178.290 177.300 -0.010 0.000 1.165 288 P CA 0.187 63.297 63.100 0.018 0.000 0.759 288 P CB 0.471 32.180 31.700 0.015 0.000 0.772 289 E N 5.920 126.108 120.200 -0.020 0.000 2.086 289 E HA -0.324 4.025 4.350 -0.001 0.000 0.205 289 E C 1.529 178.087 176.600 -0.068 0.000 1.027 289 E CA 2.006 58.382 56.400 -0.040 0.000 0.830 289 E CB -0.949 28.729 29.700 -0.037 0.000 0.751 289 E HN 0.485 nan 8.360 nan 0.000 0.456 290 K N 0.656 121.020 120.400 -0.059 0.000 2.074 290 K HA -0.124 4.196 4.320 -0.001 0.000 0.209 290 K C 2.300 178.747 176.600 -0.255 0.000 1.048 290 K CA 1.787 58.030 56.287 -0.074 0.000 0.926 290 K CB 0.022 32.520 32.500 -0.003 0.000 0.713 290 K HN 0.128 nan 8.250 nan 0.000 0.444 291 V N 0.990 120.769 119.914 -0.225 0.000 2.323 291 V HA -0.179 3.941 4.120 -0.001 0.000 0.244 291 V C 2.436 178.317 176.094 -0.355 0.000 1.041 291 V CA 1.835 63.923 62.300 -0.352 0.000 1.025 291 V CB -0.712 31.043 31.823 -0.113 0.000 0.656 291 V HN 0.452 nan 8.190 nan 0.000 0.451 292 A N 0.765 123.501 122.820 -0.139 0.000 2.024 292 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 292 A C 2.381 179.905 177.584 -0.099 0.000 1.164 292 A CA 1.842 53.848 52.037 -0.052 0.000 0.643 292 A CB -1.151 17.846 19.000 -0.005 0.000 0.806 292 A HN 0.541 nan 8.150 nan 0.000 0.451 293 G N -0.009 108.680 108.800 -0.184 0.000 2.440 293 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.218 293 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.218 293 G C 1.049 175.917 174.900 -0.053 0.000 1.154 293 G CA 1.072 46.104 45.100 -0.112 0.000 0.767 293 G HN 0.913 nan 8.290 nan 0.000 0.552 294 H N -0.643 118.448 119.070 0.036 0.000 2.507 294 H HA 0.426 4.981 4.556 -0.001 0.000 0.271 294 H C -0.897 174.470 175.328 0.064 0.000 1.224 294 H CA -0.252 55.818 56.048 0.037 0.000 1.000 294 H CB -0.428 29.343 29.762 0.015 0.000 1.663 294 H HN -0.053 nan 8.280 nan 0.000 0.548 295 T N 2.030 116.642 114.554 0.097 0.000 2.881 295 T HA 0.282 4.632 4.350 -0.001 0.000 0.290 295 T C -0.381 174.411 174.700 0.153 0.000 1.000 295 T CA -0.882 61.318 62.100 0.167 0.000 0.978 295 T CB 2.642 71.626 68.868 0.193 0.000 0.997 295 T HN 0.627 nan 8.240 nan 0.000 0.443 296 E N 1.030 121.344 120.200 0.189 0.000 2.312 296 E HA 0.739 5.088 4.350 -0.001 0.000 0.267 296 E C -0.781 175.946 176.600 0.211 0.000 0.894 296 E CA -1.203 55.292 56.400 0.158 0.000 0.773 296 E CB 1.813 31.584 29.700 0.117 0.000 1.241 296 E HN 0.402 nan 8.360 nan 0.000 0.432 297 V N -1.118 118.894 119.914 0.164 0.000 2.612 297 V HA 0.931 5.051 4.120 -0.001 0.000 0.301 297 V C 0.217 176.429 176.094 0.198 0.000 1.046 297 V CA 0.267 62.678 62.300 0.185 0.000 0.946 297 V CB 0.894 32.783 31.823 0.111 0.000 1.003 297 V HN 0.941 nan 8.190 nan 0.000 0.459 298 G N 1.631 110.597 108.800 0.277 0.000 2.815 298 G HA2 0.782 4.742 3.960 -0.001 0.000 0.305 298 G HA3 0.782 4.742 3.960 -0.001 0.000 0.305 298 G C -0.413 174.645 174.900 0.264 0.000 1.277 298 G CA -0.292 44.944 45.100 0.228 0.000 0.795 298 G HN 1.246 nan 8.290 nan 0.000 0.528 299 G N -1.733 107.206 108.800 0.232 0.000 2.667 299 G HA2 0.489 4.449 3.960 -0.001 0.000 0.310 299 G HA3 0.489 4.449 3.960 -0.001 0.000 0.310 299 G C -1.067 174.020 174.900 0.311 0.000 1.259 299 G CA -0.818 44.425 45.100 0.240 0.000 1.019 299 G HN 0.510 nan 8.290 nan 0.000 0.496 300 W N 1.328 122.718 121.300 0.149 0.000 2.356 300 W HA 0.364 5.023 4.660 -0.001 0.000 0.311 300 W C -2.346 174.278 176.519 0.174 0.000 1.328 300 W CA -1.887 55.563 57.345 0.175 0.000 1.251 300 W CB 0.875 30.418 29.460 0.138 0.000 1.280 300 W HN 0.191 nan 8.180 nan 0.000 0.524 301 P HA -0.104 nan 4.420 nan 0.000 0.263 301 P C -0.331 177.073 177.300 0.173 0.000 1.168 301 P CA 0.897 63.946 63.100 -0.084 0.000 0.759 301 P CB 0.433 31.998 31.700 -0.226 0.000 0.782 302 L N 2.064 123.355 121.223 0.114 0.000 2.360 302 L HA 0.614 4.954 4.340 -0.001 0.000 0.271 302 L C 0.791 177.613 176.870 -0.080 0.000 1.057 302 L CA -0.907 53.967 54.840 0.056 0.000 0.803 302 L CB 1.227 43.280 42.059 -0.009 0.000 1.207 302 L HN 0.356 nan 8.230 nan 0.000 0.445 303 A N 1.292 123.866 122.820 -0.410 0.000 2.279 303 A HA 0.407 4.726 4.320 -0.001 0.000 0.303 303 A C -0.739 176.712 177.584 -0.221 0.000 1.108 303 A CA -0.625 51.128 52.037 -0.474 0.000 0.830 303 A CB 0.435 18.840 19.000 -0.990 0.000 1.106 303 A HN 0.707 nan 8.150 nan 0.000 0.493 304 D N -0.005 120.357 120.400 -0.064 0.000 2.414 304 D HA 0.412 5.051 4.640 -0.001 0.000 0.242 304 D C 1.213 177.563 176.300 0.084 0.000 1.129 304 D CA 1.878 55.876 54.000 -0.003 0.000 0.885 304 D CB 0.519 41.330 40.800 0.018 0.000 1.198 304 D HN 1.115 nan 8.370 nan 0.000 0.437 305 G N 0.802 109.638 108.800 0.061 0.000 2.159 305 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.256 305 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.256 305 G C 0.533 175.507 174.900 0.124 0.000 0.977 305 G CA 0.075 45.258 45.100 0.139 0.000 0.652 305 G HN 0.841 nan 8.290 nan 0.000 0.531 306 A N 0.019 122.748 122.820 -0.151 0.000 2.555 306 A HA 0.636 4.955 4.320 -0.001 0.000 0.233 306 A C 1.611 179.053 177.584 -0.237 0.000 1.060 306 A CA 1.233 53.007 52.037 -0.440 0.000 0.759 306 A CB 0.362 19.147 19.000 -0.359 0.000 0.995 306 A HN 1.877 nan 8.150 nan 0.000 0.506 307 A N 1.723 124.338 122.820 -0.342 0.000 2.302 307 A HA 0.313 4.632 4.320 -0.001 0.000 0.219 307 A C 0.598 177.809 177.584 -0.621 0.000 1.243 307 A CA 0.257 52.059 52.037 -0.392 0.000 0.856 307 A CB -0.372 18.391 19.000 -0.394 0.000 0.893 307 A HN 0.809 nan 8.150 nan 0.000 0.491 308 H N -1.806 117.225 119.070 -0.064 0.000 2.894 308 H HA 0.265 4.820 4.556 -0.001 0.000 0.368 308 H C -0.532 174.777 175.328 -0.030 0.000 1.181 308 H CA -0.629 55.399 56.048 -0.034 0.000 1.146 308 H CB 1.342 31.088 29.762 -0.027 0.000 1.839 308 H HN 0.207 nan 8.280 nan 0.000 0.557 309 D N 0.069 120.541 120.400 0.120 0.000 2.305 309 D HA 0.196 4.835 4.640 -0.001 0.000 0.206 309 D C 1.013 177.343 176.300 0.051 0.000 0.974 309 D CA 0.628 54.663 54.000 0.059 0.000 0.871 309 D CB 0.824 41.653 40.800 0.048 0.000 0.947 309 D HN 0.589 nan 8.370 nan 0.000 0.516 310 G N -0.489 108.352 108.800 0.069 0.000 2.687 310 G HA2 0.459 4.418 3.960 -0.001 0.000 0.291 310 G HA3 0.459 4.418 3.960 -0.001 0.000 0.291 310 G C -2.931 172.006 174.900 0.061 0.000 1.420 310 G CA -1.395 43.735 45.100 0.050 0.000 0.796 310 G HN -0.310 nan 8.290 nan 0.000 0.485 311 P HA 0.107 nan 4.420 nan 0.000 0.263 311 P C 0.508 177.865 177.300 0.096 0.000 1.168 311 P CA 0.441 63.600 63.100 0.099 0.000 0.759 311 P CB 0.385 32.137 31.700 0.087 0.000 0.782 312 T N -0.126 114.505 114.554 0.129 0.000 2.922 312 T HA 0.636 4.985 4.350 -0.001 0.000 0.285 312 T C 0.000 174.751 174.700 0.084 0.000 1.005 312 T CA -0.670 61.450 62.100 0.032 0.000 1.061 312 T CB 0.905 69.738 68.868 -0.059 0.000 1.007 312 T HN 0.293 nan 8.240 nan 0.000 0.502 313 V N -0.322 119.599 119.914 0.010 0.000 3.049 313 V HA 0.708 4.827 4.120 -0.001 0.000 0.309 313 V C -0.652 175.415 176.094 -0.045 0.000 1.148 313 V CA -1.402 60.922 62.300 0.039 0.000 0.990 313 V CB 1.472 33.339 31.823 0.073 0.000 1.039 313 V HN 1.024 nan 8.190 nan 0.000 0.430 314 I N 2.564 123.097 120.570 -0.062 0.000 2.577 314 I HA 0.697 4.867 4.170 -0.001 0.000 0.300 314 I C 0.220 176.316 176.117 -0.035 0.000 0.990 314 I CA -0.512 60.693 61.300 -0.159 0.000 1.283 314 I CB 1.605 39.317 38.000 -0.479 0.000 1.411 314 I HN 0.808 nan 8.210 nan 0.000 0.515 315 R N 3.718 124.158 120.500 -0.100 0.000 2.594 315 R HA 0.761 5.100 4.340 -0.001 0.000 0.265 315 R C -2.039 174.121 176.300 -0.234 0.000 1.070 315 R CA -0.469 55.544 56.100 -0.145 0.000 0.909 315 R CB 2.067 32.248 30.300 -0.198 0.000 1.243 315 R HN 0.753 nan 8.270 nan 0.000 0.455 316 A N 2.400 125.049 122.820 -0.286 0.000 2.556 316 A HA 0.592 4.912 4.320 -0.001 0.000 0.294 316 A C -1.704 175.666 177.584 -0.357 0.000 1.091 316 A CA -0.505 51.379 52.037 -0.255 0.000 0.704 316 A CB 1.173 20.127 19.000 -0.077 0.000 1.300 316 A HN 0.731 nan 8.150 nan 0.000 0.406 317 Y N 0.103 120.435 120.300 0.053 0.000 2.675 317 Y HA 0.164 4.714 4.550 -0.001 0.000 0.248 317 Y C 1.681 177.700 175.900 0.198 0.000 1.161 317 Y CA 0.517 58.699 58.100 0.136 0.000 1.203 317 Y CB 0.786 39.339 38.460 0.156 0.000 1.262 317 Y HN 0.654 nan 8.280 nan 0.000 0.544 318 T N -2.149 112.460 114.554 0.092 0.000 3.243 318 T HA 0.338 4.687 4.350 -0.001 0.000 0.264 318 T C 0.368 175.117 174.700 0.081 0.000 1.000 318 T CA 0.023 62.030 62.100 -0.155 0.000 0.901 318 T CB -0.292 68.267 68.868 -0.514 0.000 1.083 318 T HN -0.134 nan 8.240 nan 0.000 0.559 319 L N 0.810 122.178 121.223 0.242 0.000 2.777 319 L HA 0.465 4.805 4.340 -0.001 0.000 0.195 319 L C 1.023 178.091 176.870 0.330 0.000 1.190 319 L CA -0.928 54.044 54.840 0.220 0.000 0.933 319 L CB -0.072 42.113 42.059 0.210 0.000 1.758 319 L HN 0.230 nan 8.230 nan 0.000 0.515 320 I N 0.428 121.099 120.570 0.168 0.000 3.089 320 I HA 0.077 4.247 4.170 -0.001 0.000 0.321 320 I C 0.658 176.702 176.117 -0.122 0.000 1.222 320 I CA 0.790 62.072 61.300 -0.030 0.000 1.452 320 I CB -0.642 37.127 38.000 -0.384 0.000 1.321 320 I HN 0.590 nan 8.210 nan 0.000 0.539 321 G N 5.866 114.594 108.800 -0.120 0.000 2.725 321 G HA2 0.683 4.643 3.960 -0.001 0.000 0.288 321 G HA3 0.683 4.643 3.960 -0.001 0.000 0.288 321 G C -1.425 173.221 174.900 -0.423 0.000 1.399 321 G CA -0.696 44.146 45.100 -0.430 0.000 0.859 321 G HN 0.300 nan 8.290 nan 0.000 0.479 322 F N 0.286 120.142 119.950 -0.156 0.000 2.405 322 F HA 0.551 5.078 4.527 -0.001 0.000 0.355 322 F C -0.519 175.331 175.800 0.082 0.000 1.121 322 F CA -0.624 57.388 58.000 0.020 0.000 1.112 322 F CB 1.219 40.175 39.000 -0.074 0.000 1.126 322 F HN 0.288 nan 8.300 nan 0.000 0.481 323 W N 4.175 125.596 121.300 0.202 0.000 2.578 323 W HA 0.720 5.379 4.660 -0.001 0.000 0.346 323 W C -0.647 175.976 176.519 0.173 0.000 1.075 323 W CA -0.945 56.508 57.345 0.180 0.000 1.233 323 W CB 0.825 30.381 29.460 0.160 0.000 1.358 323 W HN 0.184 nan 8.180 nan 0.000 0.574 324 I N 2.751 123.554 120.570 0.387 0.000 2.406 324 I HA 0.250 4.420 4.170 -0.001 0.000 0.290 324 I C 0.449 176.704 176.117 0.229 0.000 0.999 324 I CA -0.781 60.675 61.300 0.260 0.000 1.124 324 I CB 1.339 39.462 38.000 0.205 0.000 1.289 324 I HN 0.441 nan 8.210 nan 0.000 0.441 325 S N 5.672 121.482 115.700 0.184 0.000 2.681 325 S HA 0.461 4.930 4.470 -0.001 0.000 0.270 325 S C -2.060 172.619 174.600 0.132 0.000 1.209 325 S CA -1.176 57.131 58.200 0.178 0.000 0.988 325 S CB 1.415 64.757 63.200 0.236 0.000 1.006 325 S HN 0.333 nan 8.310 nan 0.000 0.558 326 P HA -0.050 nan 4.420 nan 0.000 0.216 326 P C 1.187 178.524 177.300 0.062 0.000 1.150 326 P CA 0.994 64.138 63.100 0.074 0.000 0.837 326 P CB -0.055 31.669 31.700 0.040 0.000 0.786 327 N N -0.527 118.204 118.700 0.052 0.000 2.120 327 N HA -0.100 4.639 4.740 -0.001 0.000 0.188 327 N C 1.993 177.530 175.510 0.045 0.000 1.024 327 N CA 1.727 54.800 53.050 0.038 0.000 0.852 327 N CB -1.118 37.387 38.487 0.030 0.000 1.003 327 N HN 0.127 nan 8.380 nan 0.000 0.424 328 G N 0.447 109.285 108.800 0.064 0.000 2.450 328 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.220 328 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.220 328 G C 1.650 176.573 174.900 0.038 0.000 1.130 328 G CA 0.604 45.735 45.100 0.052 0.000 0.760 328 G HN 0.218 nan 8.290 nan 0.000 0.557 329 V N 0.369 120.319 119.914 0.060 0.000 2.759 329 V HA -0.033 4.087 4.120 -0.001 0.000 0.256 329 V C 2.754 178.889 176.094 0.069 0.000 1.080 329 V CA 1.141 63.486 62.300 0.074 0.000 1.101 329 V CB -0.330 31.573 31.823 0.132 0.000 0.698 329 V HN 0.238 nan 8.190 nan 0.000 0.477 330 R N 0.377 120.908 120.500 0.051 0.000 2.276 330 R HA 0.054 4.394 4.340 -0.001 0.000 0.203 330 R C 1.056 177.374 176.300 0.030 0.000 1.017 330 R CA 0.626 56.751 56.100 0.041 0.000 1.010 330 R CB 0.059 30.377 30.300 0.030 0.000 0.900 330 R HN 0.472 nan 8.270 nan 0.000 0.469 331 K N -0.039 120.375 120.400 0.023 0.000 2.792 331 K HA 0.110 4.429 4.320 -0.001 0.000 0.207 331 K C 0.813 177.415 176.600 0.005 0.000 1.103 331 K CA -0.230 56.062 56.287 0.009 0.000 1.048 331 K CB 0.501 32.998 32.500 -0.005 0.000 0.777 331 K HN -0.114 nan 8.250 nan 0.000 0.468 332 I N 3.189 123.774 120.570 0.025 0.000 2.194 332 I HA -0.334 3.835 4.170 -0.001 0.000 0.246 332 I C 2.368 178.498 176.117 0.021 0.000 1.093 332 I CA 1.938 63.257 61.300 0.032 0.000 1.355 332 I CB 0.100 38.152 38.000 0.087 0.000 1.046 332 I HN 0.306 nan 8.210 nan 0.000 0.413 333 E N -0.117 120.091 120.200 0.013 0.000 2.204 333 E HA -0.276 4.074 4.350 -0.001 0.000 0.194 333 E C 1.956 178.498 176.600 -0.097 0.000 0.989 333 E CA 1.286 57.657 56.400 -0.048 0.000 0.824 333 E CB -0.689 29.001 29.700 -0.016 0.000 0.756 333 E HN 0.672 nan 8.360 nan 0.000 0.477 334 Q N 0.712 120.478 119.800 -0.056 0.000 2.083 334 Q HA -0.039 4.300 4.340 -0.001 0.000 0.198 334 Q C 2.498 178.453 176.000 -0.076 0.000 0.969 334 Q CA 1.348 57.125 55.803 -0.043 0.000 0.838 334 Q CB 0.092 28.814 28.738 -0.027 0.000 0.900 334 Q HN 0.137 nan 8.270 nan 0.000 0.436 335 V N 1.356 121.215 119.914 -0.092 0.000 2.287 335 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 335 V C 2.218 178.147 176.094 -0.276 0.000 1.053 335 V CA 2.191 64.431 62.300 -0.100 0.000 1.027 335 V CB -0.623 31.186 31.823 -0.025 0.000 0.646 335 V HN 0.453 nan 8.190 nan 0.000 0.447 336 E N 0.478 120.364 120.200 -0.524 0.000 2.058 336 E HA -0.325 4.025 4.350 -0.001 0.000 0.194 336 E C 2.329 178.504 176.600 -0.710 0.000 0.997 336 E CA 1.935 57.611 56.400 -1.207 0.000 0.801 336 E CB -0.174 28.702 29.700 -1.373 0.000 0.746 336 E HN 0.580 nan 8.360 nan 0.000 0.450 337 K N -0.530 119.663 120.400 -0.346 0.000 2.097 337 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 337 K C 2.033 178.619 176.600 -0.023 0.000 1.049 337 K CA 1.348 57.573 56.287 -0.104 0.000 0.933 337 K CB -0.258 32.282 32.500 0.067 0.000 0.717 337 K HN 0.162 nan 8.250 nan 0.000 0.442 338 F N 1.277 121.017 119.950 -0.349 0.000 2.234 338 F HA -0.016 4.511 4.527 -0.001 0.000 0.296 338 F C 1.555 177.038 175.800 -0.529 0.000 1.089 338 F CA 0.992 58.616 58.000 -0.628 0.000 1.343 338 F CB 0.002 38.612 39.000 -0.651 0.000 1.040 338 F HN -0.069 nan 8.300 nan 0.000 0.498 339 L N 0.802 121.617 121.223 -0.681 0.000 2.156 339 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 339 L C 2.595 179.027 176.870 -0.729 0.000 1.095 339 L CA 1.126 55.374 54.840 -0.986 0.000 0.770 339 L CB -0.710 40.712 42.059 -1.061 0.000 0.914 339 L HN 0.183 nan 8.230 nan 0.000 0.439 340 R N 0.054 120.263 120.500 -0.484 0.000 2.153 340 R HA -0.075 4.264 4.340 -0.001 0.000 0.218 340 R C 1.328 177.559 176.300 -0.115 0.000 1.072 340 R CA 0.216 56.168 56.100 -0.247 0.000 0.990 340 R CB -0.694 29.489 30.300 -0.195 0.000 0.889 340 R HN 0.100 nan 8.270 nan 0.000 0.452 344 R N 2.274 122.766 120.500 -0.014 0.000 2.537 344 R HA 0.053 4.392 4.340 -0.001 0.000 0.280 344 R C -1.883 174.393 176.300 -0.039 0.000 1.058 344 R CA -1.102 54.970 56.100 -0.047 0.000 1.057 344 R CB 0.625 30.847 30.300 -0.130 0.000 0.973 344 R HN -0.088 nan 8.270 nan 0.000 0.438 345 P HA -0.260 nan 4.420 nan 0.000 0.218 345 P C 0.419 177.714 177.300 -0.008 0.000 1.154 345 P CA 1.594 64.687 63.100 -0.012 0.000 0.872 345 P CB 0.103 31.803 31.700 -0.001 0.000 0.790 346 D N -1.152 119.239 120.400 -0.015 0.000 2.224 346 D HA -0.077 4.562 4.640 -0.001 0.000 0.205 346 D C 1.768 178.058 176.300 -0.016 0.000 0.965 346 D CA 0.930 54.925 54.000 -0.008 0.000 0.852 346 D CB -0.899 39.901 40.800 0.001 0.000 0.947 346 D HN 0.072 nan 8.370 nan 0.000 0.494 347 V N 0.984 120.861 119.914 -0.062 0.000 2.323 347 V HA -0.179 3.941 4.120 -0.001 0.000 0.244 347 V C 2.930 179.123 176.094 0.165 0.000 1.041 347 V CA 0.908 63.181 62.300 -0.045 0.000 1.025 347 V CB -0.222 31.433 31.823 -0.282 0.000 0.656 347 V HN 0.077 nan 8.190 nan 0.000 0.451 348 V N 0.580 120.586 119.914 0.153 0.000 2.332 348 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 348 V C 2.714 178.885 176.094 0.128 0.000 1.055 348 V CA 2.083 64.478 62.300 0.159 0.000 1.038 348 V CB -1.124 30.689 31.823 -0.016 0.000 0.651 348 V HN 0.562 nan 8.190 nan 0.000 0.450 349 A N -0.429 122.428 122.820 0.063 0.000 1.972 349 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 349 A C 2.397 180.009 177.584 0.047 0.000 1.169 349 A CA 1.927 53.989 52.037 0.042 0.000 0.635 349 A CB -0.534 18.479 19.000 0.023 0.000 0.810 349 A HN 0.485 nan 8.150 nan 0.000 0.446 350 R N -1.710 118.808 120.500 0.031 0.000 2.073 350 R HA -0.119 4.220 4.340 -0.001 0.000 0.234 350 R C 1.790 178.058 176.300 -0.053 0.000 1.134 350 R CA 1.729 57.809 56.100 -0.034 0.000 0.952 350 R CB -0.381 29.856 30.300 -0.105 0.000 0.850 350 R HN 0.485 nan 8.270 nan 0.000 0.433 351 F N -0.189 119.790 119.950 0.048 0.000 2.126 351 F HA -0.230 4.297 4.527 -0.001 0.000 0.299 351 F C 2.321 178.070 175.800 -0.086 0.000 1.096 351 F CA 1.237 59.246 58.000 0.015 0.000 1.255 351 F CB -0.586 38.441 39.000 0.045 0.000 0.997 351 F HN -0.151 nan 8.300 nan 0.000 0.479 352 V N -1.010 118.965 119.914 0.102 0.000 2.244 352 V HA -0.291 3.828 4.120 -0.001 0.000 0.244 352 V C 2.355 178.464 176.094 0.025 0.000 1.042 352 V CA 2.431 64.734 62.300 0.005 0.000 1.006 352 V CB -0.942 30.884 31.823 0.005 0.000 0.641 352 V HN 0.327 nan 8.190 nan 0.000 0.446 353 T N -1.011 113.579 114.554 0.061 0.000 2.746 353 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 353 T C 1.886 176.691 174.700 0.176 0.000 1.039 353 T CA 2.021 64.183 62.100 0.103 0.000 1.142 353 T CB -0.072 68.835 68.868 0.065 0.000 0.866 353 T HN 0.606 nan 8.240 nan 0.000 0.444 354 E N -0.641 119.630 120.200 0.118 0.000 2.251 354 E HA 0.082 4.432 4.350 -0.001 0.000 0.194 354 E C 1.841 178.551 176.600 0.182 0.000 0.964 354 E CA 0.359 56.850 56.400 0.151 0.000 0.868 354 E CB 0.265 29.992 29.700 0.045 0.000 0.828 354 E HN 0.252 nan 8.360 nan 0.000 0.481 355 S N -0.969 114.741 115.700 0.017 0.000 2.512 355 S HA 0.205 4.675 4.470 -0.001 0.000 0.216 355 S C 0.892 175.155 174.600 -0.562 0.000 1.006 355 S CA 0.498 58.628 58.200 -0.117 0.000 0.915 355 S CB 1.248 64.446 63.200 -0.004 0.000 0.824 355 S HN 0.497 nan 8.310 nan 0.000 0.497 356 G N 2.966 111.421 108.800 -0.574 0.000 2.198 356 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.257 356 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.257 356 G C -0.176 174.443 174.900 -0.468 0.000 1.042 356 G CA -0.304 44.328 45.100 -0.780 0.000 0.791 356 G HN 0.274 nan 8.290 nan 0.000 0.502 357 R N 0.385 120.681 120.500 -0.339 0.000 2.528 357 R HA 0.574 4.913 4.340 -0.001 0.000 0.271 357 R C 0.083 176.203 176.300 -0.300 0.000 1.056 357 R CA -0.731 55.129 56.100 -0.400 0.000 1.117 357 R CB 0.617 30.532 30.300 -0.640 0.000 1.085 357 R HN 0.264 nan 8.270 nan 0.000 0.530 361 L N 0.531 121.680 121.223 -0.124 0.000 2.322 361 L HA 0.592 4.931 4.340 -0.001 0.000 0.269 361 L C 0.261 177.060 176.870 -0.118 0.000 1.012 361 L CA -1.150 53.585 54.840 -0.176 0.000 0.815 361 L CB 1.370 43.234 42.059 -0.325 0.000 1.295 361 L HN 0.205 nan 8.230 nan 0.000 0.438 362 R N 0.708 121.149 120.500 -0.098 0.000 2.421 362 R HA 0.285 4.625 4.340 -0.001 0.000 0.305 362 R C -0.261 176.007 176.300 -0.054 0.000 1.039 362 R CA 0.264 56.329 56.100 -0.058 0.000 1.003 362 R CB 0.565 30.841 30.300 -0.039 0.000 0.959 362 R HN 0.548 nan 8.270 nan 0.000 0.427 363 T N 0.336 114.869 114.554 -0.034 0.000 2.889 363 T HA 0.154 4.504 4.350 -0.001 0.000 0.315 363 T C -0.535 174.160 174.700 -0.008 0.000 1.291 363 T CA -0.820 61.265 62.100 -0.026 0.000 1.028 363 T CB 1.510 70.357 68.868 -0.035 0.000 1.235 363 T HN 0.451 nan 8.240 nan 0.000 0.491 364 D N 1.403 121.802 120.400 -0.002 0.000 2.369 364 D HA 0.362 5.002 4.640 -0.001 0.000 0.211 364 D C 0.853 177.159 176.300 0.010 0.000 1.077 364 D CA 0.123 54.126 54.000 0.006 0.000 0.842 364 D CB 0.475 41.280 40.800 0.008 0.000 0.947 364 D HN 0.709 nan 8.370 nan 0.000 0.509 365 A N 0.376 123.201 122.820 0.008 0.000 2.386 365 A HA 0.480 4.800 4.320 -0.001 0.000 0.248 365 A C 0.020 177.614 177.584 0.017 0.000 1.082 365 A CA -0.060 51.986 52.037 0.015 0.000 0.789 365 A CB 0.761 19.770 19.000 0.016 0.000 1.025 365 A HN -0.027 nan 8.150 nan 0.000 0.490 366 V N 1.008 120.939 119.914 0.028 0.000 2.760 366 V HA 0.249 4.369 4.120 -0.001 0.000 0.309 366 V C 0.305 176.434 176.094 0.057 0.000 1.077 366 V CA -0.559 61.762 62.300 0.034 0.000 0.910 366 V CB 2.299 34.143 31.823 0.034 0.000 1.008 366 V HN 0.862 nan 8.190 nan 0.000 0.424 367 S N 1.807 117.548 115.700 0.068 0.000 3.864 367 S HA -0.008 4.461 4.470 -0.001 0.000 0.202 367 S C 1.669 176.375 174.600 0.177 0.000 1.402 367 S CA 0.427 58.713 58.200 0.143 0.000 1.072 367 S CB -0.361 62.901 63.200 0.104 0.000 1.383 367 S HN 1.055 nan 8.310 nan 0.000 0.458 368 T N -0.997 113.623 114.554 0.111 0.000 2.849 368 T HA -0.117 4.232 4.350 -0.001 0.000 0.270 368 T C 1.921 176.647 174.700 0.044 0.000 1.066 368 T CA 1.273 63.415 62.100 0.069 0.000 1.130 368 T CB -0.436 68.455 68.868 0.039 0.000 0.864 368 T HN 0.492 nan 8.240 nan 0.000 0.481 369 G N 0.022 108.850 108.800 0.047 0.000 2.679 369 G HA2 0.228 4.188 3.960 -0.001 0.000 0.212 369 G HA3 0.228 4.188 3.960 -0.001 0.000 0.212 369 G C 0.003 174.619 174.900 -0.472 0.000 1.137 369 G CA -0.225 44.765 45.100 -0.183 0.000 0.787 369 G HN 0.565 nan 8.290 nan 0.000 0.534 370 F N -0.195 119.751 119.950 -0.007 0.000 2.686 370 F HA 0.370 4.897 4.527 -0.001 0.000 0.365 370 F C -1.632 174.163 175.800 -0.008 0.000 1.196 370 F CA -2.524 55.469 58.000 -0.010 0.000 1.198 370 F CB 1.941 40.930 39.000 -0.018 0.000 1.454 370 F HN -0.136 nan 8.300 nan 0.000 0.539 371 P HA -0.295 nan 4.420 nan 0.000 0.222 371 P C 1.892 179.236 177.300 0.074 0.000 1.147 371 P CA 2.038 65.174 63.100 0.061 0.000 0.958 371 P CB 0.259 31.976 31.700 0.027 0.000 0.788 372 L N -1.768 119.500 121.223 0.075 0.000 2.083 372 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 372 L C 2.416 179.316 176.870 0.050 0.000 1.083 372 L CA 1.253 56.128 54.840 0.058 0.000 0.752 372 L CB -1.056 41.028 42.059 0.042 0.000 0.899 372 L HN -0.081 nan 8.230 nan 0.000 0.433 373 V N 0.396 120.350 119.914 0.065 0.000 2.307 373 V HA -0.178 3.942 4.120 -0.001 0.000 0.245 373 V C 2.684 178.801 176.094 0.038 0.000 1.045 373 V CA 2.019 64.336 62.300 0.028 0.000 1.024 373 V CB -1.260 30.566 31.823 0.005 0.000 0.651 373 V HN 0.547 nan 8.190 nan 0.000 0.449 374 G N -0.397 108.448 108.800 0.075 0.000 2.442 374 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.219 374 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.219 374 G C 1.740 176.669 174.900 0.048 0.000 1.141 374 G CA 1.081 46.218 45.100 0.063 0.000 0.763 374 G HN 0.610 nan 8.290 nan 0.000 0.554 375 A N 1.078 123.929 122.820 0.051 0.000 1.930 375 A HA 0.338 4.657 4.320 -0.001 0.000 0.217 375 A C 2.773 180.386 177.584 0.047 0.000 1.175 375 A CA 2.044 54.111 52.037 0.049 0.000 0.627 375 A CB -0.659 18.375 19.000 0.056 0.000 0.815 375 A HN 0.753 nan 8.150 nan 0.000 0.443 376 A N -0.715 122.130 122.820 0.042 0.000 2.015 376 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 376 A C 2.045 179.650 177.584 0.035 0.000 1.163 376 A CA 1.487 53.548 52.037 0.040 0.000 0.646 376 A CB -0.433 18.584 19.000 0.027 0.000 0.806 376 A HN 0.663 nan 8.150 nan 0.000 0.448 377 Q N -0.743 119.074 119.800 0.029 0.000 2.245 377 Q HA -0.010 4.330 4.340 -0.001 0.000 0.201 377 Q C 1.758 177.778 176.000 0.034 0.000 0.955 377 Q CA 0.798 56.618 55.803 0.028 0.000 0.870 377 Q CB -0.013 28.737 28.738 0.019 0.000 0.945 377 Q HN 0.599 nan 8.270 nan 0.000 0.461 378 R N -0.098 120.424 120.500 0.036 0.000 2.310 378 R HA 0.081 4.420 4.340 -0.001 0.000 0.202 378 R C -0.222 176.100 176.300 0.038 0.000 0.933 378 R CA -0.157 55.965 56.100 0.035 0.000 1.054 378 R CB 0.156 30.477 30.300 0.034 0.000 0.985 378 R HN 0.068 nan 8.270 nan 0.000 0.489 379 L N 1.073 122.321 121.223 0.042 0.000 2.462 379 L HA 0.076 4.415 4.340 -0.001 0.000 0.272 379 L C 1.102 177.997 176.870 0.042 0.000 1.166 379 L CA 0.622 55.489 54.840 0.045 0.000 0.880 379 L CB 0.783 42.873 42.059 0.052 0.000 1.142 379 L HN 0.094 nan 8.230 nan 0.000 0.473 380 G N 1.289 110.112 108.800 0.039 0.000 3.441 380 G HA2 0.213 4.172 3.960 -0.001 0.000 0.195 380 G HA3 0.213 4.172 3.960 -0.001 0.000 0.195 380 G C 0.725 175.648 174.900 0.037 0.000 1.633 380 G CA 0.466 45.589 45.100 0.037 0.000 0.895 380 G HN 0.591 nan 8.290 nan 0.000 0.654 381 S N 0.474 116.194 115.700 0.033 0.000 2.603 381 S HA -0.014 4.455 4.470 -0.001 0.000 0.220 381 S C 1.551 176.169 174.600 0.031 0.000 0.967 381 S CA 1.257 59.477 58.200 0.033 0.000 0.920 381 S CB -0.010 63.208 63.200 0.030 0.000 0.773 381 S HN 0.607 nan 8.310 nan 0.000 0.529 382 E N 1.952 122.169 120.200 0.030 0.000 2.511 382 E HA 0.023 4.373 4.350 -0.001 0.000 0.196 382 E C 0.575 177.195 176.600 0.032 0.000 1.066 382 E CA 0.194 56.610 56.400 0.026 0.000 0.871 382 E CB -0.321 29.392 29.700 0.021 0.000 0.863 382 E HN 0.600 nan 8.360 nan 0.000 0.520 383 V N -2.525 117.411 119.914 0.037 0.000 2.925 383 V HA 0.672 4.791 4.120 -0.001 0.000 0.311 383 V C -0.541 175.569 176.094 0.027 0.000 1.104 383 V CA -1.026 61.297 62.300 0.040 0.000 0.954 383 V CB 2.017 33.871 31.823 0.051 0.000 1.022 383 V HN 0.025 nan 8.190 nan 0.000 0.427 384 S N 2.842 118.545 115.700 0.005 0.000 2.509 384 S HA 0.509 4.979 4.470 -0.001 0.000 0.297 384 S C -0.562 173.976 174.600 -0.104 0.000 1.118 384 S CA -0.520 57.661 58.200 -0.032 0.000 1.074 384 S CB 1.530 64.714 63.200 -0.026 0.000 1.038 384 S HN 0.969 nan 8.310 nan 0.000 0.498 385 Q N 2.351 122.101 119.800 -0.083 0.000 2.261 385 Q HA 0.539 4.879 4.340 -0.001 0.000 0.252 385 Q C -0.638 175.259 176.000 -0.172 0.000 0.915 385 Q CA -0.574 55.170 55.803 -0.097 0.000 0.915 385 Q CB 0.871 29.588 28.738 -0.034 0.000 1.204 385 Q HN 0.640 nan 8.270 nan 0.000 0.421 386 V N 1.400 121.202 119.914 -0.187 0.000 3.113 386 V HA 0.564 4.684 4.120 -0.001 0.000 0.316 386 V C -0.611 175.397 176.094 -0.143 0.000 1.125 386 V CA -1.288 60.902 62.300 -0.183 0.000 1.026 386 V CB 1.442 33.133 31.823 -0.220 0.000 1.080 386 V HN 0.792 nan 8.190 nan 0.000 0.444 387 L N 2.248 123.399 121.223 -0.120 0.000 2.380 387 L HA 0.482 4.821 4.340 -0.001 0.000 0.273 387 L C -0.226 176.526 176.870 -0.197 0.000 1.138 387 L CA -0.085 54.681 54.840 -0.122 0.000 0.832 387 L CB 0.954 42.945 42.059 -0.113 0.000 1.124 387 L HN 0.829 nan 8.230 nan 0.000 0.454 388 L N 8.222 129.350 121.223 -0.160 0.000 2.295 388 L HA 0.454 4.793 4.340 -0.001 0.000 0.288 388 L C -1.857 174.943 176.870 -0.116 0.000 1.079 388 L CA -1.257 53.451 54.840 -0.219 0.000 0.830 388 L CB 0.759 42.724 42.059 -0.156 0.000 1.200 388 L HN 0.538 nan 8.230 nan 0.000 0.438 389 P HA -0.119 nan 4.420 nan 0.000 0.219 389 P C 0.663 177.992 177.300 0.048 0.000 1.146 389 P CA 1.057 64.069 63.100 -0.148 0.000 0.808 389 P CB 0.246 31.571 31.700 -0.626 0.000 0.779 390 D N -0.261 120.125 120.400 -0.024 0.000 2.412 390 D HA -0.224 4.416 4.640 -0.001 0.000 0.191 390 D C 1.832 178.110 176.300 -0.037 0.000 1.019 390 D CA 2.156 56.147 54.000 -0.014 0.000 0.866 390 D CB -1.345 39.435 40.800 -0.033 0.000 0.966 390 D HN 0.154 nan 8.370 nan 0.000 0.459 391 V N -1.926 117.899 119.914 -0.147 0.000 2.867 391 V HA -0.195 3.925 4.120 -0.001 0.000 0.260 391 V C 1.596 177.453 176.094 -0.395 0.000 1.099 391 V CA 1.320 63.427 62.300 -0.323 0.000 1.122 391 V CB -1.157 30.351 31.823 -0.525 0.000 0.708 391 V HN 0.264 nan 8.190 nan 0.000 0.490 392 Y N 0.053 120.351 120.300 -0.002 0.000 2.503 392 Y HA 0.420 4.969 4.550 -0.001 0.000 0.278 392 Y C 1.414 177.363 175.900 0.081 0.000 1.111 392 Y CA -0.192 57.930 58.100 0.036 0.000 1.270 392 Y CB 0.061 38.555 38.460 0.057 0.000 1.063 392 Y HN 0.066 nan 8.280 nan 0.000 0.548 393 V N 3.806 123.844 119.914 0.206 0.000 2.508 393 V HA 0.087 4.207 4.120 -0.001 0.000 0.281 393 V C -2.058 174.065 176.094 0.049 0.000 1.041 393 V CA -1.997 60.407 62.300 0.174 0.000 1.016 393 V CB 0.434 32.343 31.823 0.143 0.000 0.984 393 V HN -0.008 nan 8.190 nan 0.000 0.478 394 P HA 0.083 nan 4.420 nan 0.000 0.265 394 P C -1.686 175.571 177.300 -0.072 0.000 1.193 394 P CA -1.019 62.064 63.100 -0.028 0.000 0.765 394 P CB 0.141 31.823 31.700 -0.030 0.000 0.823 395 P HA -0.229 nan 4.420 nan 0.000 0.218 395 P C 0.879 178.144 177.300 -0.059 0.000 1.146 395 P CA 1.619 64.691 63.100 -0.047 0.000 0.813 395 P CB -0.183 31.492 31.700 -0.041 0.000 0.778 396 A N -0.078 122.698 122.820 -0.073 0.000 2.119 396 A HA 0.232 4.552 4.320 -0.001 0.000 0.216 396 A C 2.263 179.770 177.584 -0.128 0.000 1.152 396 A CA 1.240 53.231 52.037 -0.076 0.000 0.708 396 A CB -0.923 18.046 19.000 -0.053 0.000 0.805 396 A HN 0.252 nan 8.150 nan 0.000 0.460 397 A N -0.794 121.888 122.820 -0.230 0.000 2.238 397 A HA 0.548 4.867 4.320 -0.001 0.000 0.210 397 A C 2.129 179.574 177.584 -0.231 0.000 1.179 397 A CA 1.076 52.886 52.037 -0.379 0.000 0.827 397 A CB -0.509 17.876 19.000 -1.026 0.000 0.856 397 A HN 0.710 nan 8.150 nan 0.000 0.488 398 A N 0.236 122.979 122.820 -0.130 0.000 1.834 398 A HA -0.242 4.077 4.320 -0.001 0.000 0.216 398 A C 2.090 179.660 177.584 -0.023 0.000 1.203 398 A CA 1.721 53.727 52.037 -0.052 0.000 0.621 398 A CB -0.739 18.245 19.000 -0.025 0.000 0.841 398 A HN 0.555 nan 8.150 nan 0.000 0.446 399 Q N -0.752 119.036 119.800 -0.021 0.000 2.061 399 Q HA -0.147 4.193 4.340 -0.001 0.000 0.204 399 Q C -0.206 175.791 176.000 -0.006 0.000 0.984 399 Q CA 1.946 57.746 55.803 -0.004 0.000 0.846 399 Q CB -1.289 27.446 28.738 -0.004 0.000 0.902 399 Q HN 0.492 nan 8.270 nan 0.000 0.421 400 P HA -0.161 nan 4.420 nan 0.000 0.216 400 P C 1.297 178.595 177.300 -0.002 0.000 1.150 400 P CA 0.884 63.976 63.100 -0.013 0.000 0.837 400 P CB -0.018 31.666 31.700 -0.026 0.000 0.786 401 L N -0.962 120.258 121.223 -0.005 0.000 2.131 401 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 401 L C 2.031 178.919 176.870 0.030 0.000 1.092 401 L CA 1.686 56.545 54.840 0.032 0.000 0.759 401 L CB -1.099 40.999 42.059 0.066 0.000 0.903 401 L HN -0.072 nan 8.230 nan 0.000 0.435 402 I N -1.227 119.360 120.570 0.027 0.000 2.202 402 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 402 I C 2.267 178.395 176.117 0.017 0.000 1.091 402 I CA 1.390 62.708 61.300 0.029 0.000 1.368 402 I CB -1.630 36.393 38.000 0.039 0.000 1.058 402 I HN 0.237 nan 8.210 nan 0.000 0.410 403 T N 1.572 116.134 114.554 0.013 0.000 2.684 403 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 403 T C 2.021 176.727 174.700 0.011 0.000 1.036 403 T CA 1.627 63.734 62.100 0.011 0.000 1.148 403 T CB -0.344 68.529 68.868 0.008 0.000 0.863 403 T HN 0.449 nan 8.240 nan 0.000 0.436 404 A N 1.020 123.841 122.820 0.002 0.000 2.070 404 A HA -0.099 4.221 4.320 -0.001 0.000 0.220 404 A C 2.493 180.068 177.584 -0.014 0.000 1.159 404 A CA 1.817 53.845 52.037 -0.015 0.000 0.656 404 A CB -1.035 17.942 19.000 -0.037 0.000 0.800 404 A HN 0.471 nan 8.150 nan 0.000 0.453 405 T N -0.874 113.683 114.554 0.006 0.000 2.770 405 T HA -0.107 4.243 4.350 -0.001 0.000 0.263 405 T C 2.300 177.088 174.700 0.147 0.000 1.039 405 T CA 1.580 63.707 62.100 0.044 0.000 1.142 405 T CB -0.270 68.627 68.868 0.049 0.000 0.868 405 T HN 0.563 nan 8.240 nan 0.000 0.435 406 S N 0.654 116.408 115.700 0.090 0.000 2.359 406 S HA -0.176 4.293 4.470 -0.001 0.000 0.224 406 S C 2.220 176.889 174.600 0.114 0.000 1.035 406 S CA 2.098 60.353 58.200 0.092 0.000 1.018 406 S CB -0.860 62.358 63.200 0.029 0.000 0.876 406 S HN 0.535 nan 8.310 nan 0.000 0.448 407 T N 1.488 116.083 114.554 0.069 0.000 2.720 407 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 407 T C 2.070 176.813 174.700 0.073 0.000 1.037 407 T CA 1.742 63.874 62.100 0.055 0.000 1.144 407 T CB -0.588 68.295 68.868 0.025 0.000 0.864 407 T HN 0.438 nan 8.240 nan 0.000 0.444 408 S N 0.555 116.299 115.700 0.073 0.000 2.423 408 S HA 0.053 4.522 4.470 -0.001 0.000 0.231 408 S C 1.468 176.149 174.600 0.136 0.000 1.014 408 S CA 0.671 58.919 58.200 0.080 0.000 0.965 408 S CB -0.377 62.811 63.200 -0.019 0.000 0.785 408 S HN 0.441 nan 8.310 nan 0.000 0.495 409 F N 1.898 121.914 119.950 0.110 0.000 2.780 409 F HA 0.094 4.621 4.527 -0.001 0.000 0.299 409 F C 1.071 176.894 175.800 0.039 0.000 1.146 409 F CA 0.341 58.397 58.000 0.092 0.000 1.428 409 F CB -0.276 38.707 39.000 -0.028 0.000 1.115 409 F HN -0.053 nan 8.300 nan 0.000 0.583 410 T N 1.879 116.533 114.554 0.167 0.000 2.799 410 T HA 0.097 4.447 4.350 -0.001 0.000 0.296 410 T C 0.464 175.200 174.700 0.059 0.000 0.947 410 T CA -0.433 61.728 62.100 0.103 0.000 1.141 410 T CB 0.253 69.165 68.868 0.074 0.000 0.891 410 T HN 0.048 nan 8.240 nan 0.000 0.533 411 R N 1.998 122.531 120.500 0.054 0.000 2.502 411 R HA 0.295 4.635 4.340 -0.001 0.000 0.292 411 R C 1.480 177.788 176.300 0.013 0.000 0.998 411 R CA 1.313 57.428 56.100 0.024 0.000 1.056 411 R CB -0.062 30.257 30.300 0.032 0.000 0.939 411 R HN 1.051 nan 8.270 nan 0.000 0.411 412 G N 2.222 111.021 108.800 -0.002 0.000 2.179 412 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.220 412 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.220 412 G C 0.096 175.000 174.900 0.007 0.000 0.990 412 G CA -0.037 45.066 45.100 0.004 0.000 0.646 412 G HN 0.584 nan 8.290 nan 0.000 0.517 413 T N 2.969 117.527 114.554 0.007 0.000 2.743 413 T HA 0.491 4.841 4.350 -0.001 0.000 0.290 413 T C 1.041 175.748 174.700 0.012 0.000 0.908 413 T CA 0.567 62.675 62.100 0.013 0.000 1.092 413 T CB 0.917 69.798 68.868 0.023 0.000 0.882 413 T HN 1.249 nan 8.240 nan 0.000 0.531 414 S N 4.406 120.113 115.700 0.012 0.000 2.558 414 S HA 0.029 4.499 4.470 -0.001 0.000 0.287 414 S C -1.682 172.929 174.600 0.018 0.000 1.321 414 S CA -0.965 57.242 58.200 0.013 0.000 1.048 414 S CB 0.417 63.623 63.200 0.010 0.000 0.844 414 S HN 0.314 nan 8.310 nan 0.000 0.512 415 P HA -0.074 nan 4.420 nan 0.000 0.218 415 P C 1.621 178.929 177.300 0.013 0.000 1.148 415 P CA 1.829 64.949 63.100 0.033 0.000 0.822 415 P CB -0.214 31.508 31.700 0.036 0.000 0.784 416 A N -0.024 122.801 122.820 0.007 0.000 1.902 416 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 416 A C 2.221 179.801 177.584 -0.007 0.000 1.181 416 A CA 1.565 53.602 52.037 0.000 0.000 0.623 416 A CB -1.009 17.992 19.000 0.001 0.000 0.818 416 A HN 0.100 nan 8.150 nan 0.000 0.443 417 R N -0.932 119.566 120.500 -0.004 0.000 2.115 417 R HA -0.005 4.334 4.340 -0.001 0.000 0.226 417 R C 2.004 178.290 176.300 -0.023 0.000 1.100 417 R CA 1.118 57.213 56.100 -0.008 0.000 0.980 417 R CB -0.449 29.851 30.300 -0.000 0.000 0.875 417 R HN 0.377 nan 8.270 nan 0.000 0.445 418 V N 1.120 121.022 119.914 -0.020 0.000 2.261 418 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 418 V C 2.571 178.594 176.094 -0.119 0.000 1.047 418 V CA 1.620 63.892 62.300 -0.048 0.000 1.015 418 V CB -0.520 31.303 31.823 -0.001 0.000 0.642 418 V HN 0.298 nan 8.190 nan 0.000 0.446 419 R N 0.086 120.530 120.500 -0.094 0.000 2.103 419 R HA -0.203 4.136 4.340 -0.001 0.000 0.242 419 R C 2.232 178.467 176.300 -0.108 0.000 1.142 419 R CA 1.930 57.960 56.100 -0.118 0.000 0.960 419 R CB -0.516 29.767 30.300 -0.028 0.000 0.858 419 R HN 0.510 nan 8.270 nan 0.000 0.439 420 A N 0.426 123.211 122.820 -0.059 0.000 1.898 420 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 420 A C 2.348 179.906 177.584 -0.043 0.000 1.181 420 A CA 1.643 53.659 52.037 -0.035 0.000 0.620 420 A CB -0.587 18.403 19.000 -0.017 0.000 0.819 420 A HN 0.497 nan 8.150 nan 0.000 0.442 421 A N -0.600 122.183 122.820 -0.062 0.000 1.873 421 A HA 0.018 4.338 4.320 -0.001 0.000 0.215 421 A C 2.022 179.557 177.584 -0.082 0.000 1.186 421 A CA 1.640 53.644 52.037 -0.055 0.000 0.616 421 A CB -0.546 18.423 19.000 -0.052 0.000 0.823 421 A HN 0.376 nan 8.150 nan 0.000 0.442 422 L N 0.387 121.486 121.223 -0.206 0.000 1.989 422 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 422 L C 2.448 179.256 176.870 -0.103 0.000 1.071 422 L CA 2.167 56.798 54.840 -0.348 0.000 0.749 422 L CB -1.310 40.137 42.059 -1.020 0.000 0.890 422 L HN 0.519 nan 8.230 nan 0.000 0.431 423 E N -0.891 119.264 120.200 -0.074 0.000 2.153 423 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 423 E C 2.078 178.767 176.600 0.148 0.000 0.988 423 E CA 1.404 57.864 56.400 0.101 0.000 0.811 423 E CB -0.197 29.541 29.700 0.064 0.000 0.746 423 E HN 0.590 nan 8.360 nan 0.000 0.466 424 S N 0.693 116.445 115.700 0.086 0.000 2.515 424 S HA 0.045 4.515 4.470 -0.001 0.000 0.231 424 S C 2.055 176.720 174.600 0.108 0.000 0.987 424 S CA 0.603 58.852 58.200 0.082 0.000 0.936 424 S CB 0.089 63.312 63.200 0.039 0.000 0.766 424 S HN 0.262 nan 8.310 nan 0.000 0.528 425 A N 0.290 123.204 122.820 0.156 0.000 2.066 425 A HA 0.177 4.496 4.320 -0.001 0.000 0.218 425 A C 1.489 179.103 177.584 0.050 0.000 1.157 425 A CA 0.636 52.731 52.037 0.096 0.000 0.670 425 A CB -0.762 18.292 19.000 0.091 0.000 0.804 425 A HN 0.700 nan 8.150 nan 0.000 0.453 426 Y N -0.084 120.243 120.300 0.044 0.000 2.468 426 Y HA 0.056 4.605 4.550 -0.001 0.000 0.268 426 Y C 2.225 178.140 175.900 0.024 0.000 1.177 426 Y CA 0.293 58.417 58.100 0.040 0.000 1.265 426 Y CB 0.117 38.605 38.460 0.046 0.000 1.103 426 Y HN 0.466 nan 8.280 nan 0.000 0.522 427 R N -0.686 119.897 120.500 0.138 0.000 2.189 427 R HA -0.027 4.313 4.340 -0.001 0.000 0.218 427 R C 1.765 178.096 176.300 0.051 0.000 1.074 427 R CA 1.411 57.561 56.100 0.084 0.000 0.991 427 R CB -0.522 29.814 30.300 0.061 0.000 0.883 427 R HN 0.251 nan 8.270 nan 0.000 0.457 428 S N 1.223 116.942 115.700 0.032 0.000 2.575 428 S HA 0.370 4.840 4.470 -0.001 0.000 0.215 428 S C 1.129 175.734 174.600 0.008 0.000 0.966 428 S CA 0.403 58.610 58.200 0.012 0.000 0.911 428 S CB -0.135 63.062 63.200 -0.004 0.000 0.780 428 S HN 0.360 nan 8.310 nan 0.000 0.514 429 V N 0.000 119.926 119.914 0.020 0.000 2.409 429 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 429 V CA 0.000 62.313 62.300 0.022 0.000 1.235 429 V CB 0.000 31.849 31.823 0.044 0.000 1.184 429 V HN 0.000 nan 8.190 nan 0.000 0.556