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 1zrt_1_C DATA FIRST_RESID 2 DATA SEQUENCE SGIPHDHYEP KTGIEKWLHD RLPIVGLVYD TIMIPTPKNL NWWWIWGIVL DATA SEQUENCE AFTLVLQIVT GIVLAMHYTP HVDLAFASVE HIMRDVNGGW AMRYIHANGA DATA SEQUENCE SLFFLAVYIH IFRGLYYGSY KAPREITWIV GMVIYLLMMG TAFMGYVLPW DATA SEQUENCE GQMSFWGATV ITGLFGAIPG IGPSIQAWLL GGPAVDNATL NRFFSLHYLL DATA SEQUENCE PFVIAALVAI HIWAFHTTGN NNPTGVEVRR TSKADAEKDT LPFWPYFVIK DATA SEQUENCE DLFALALVLL GFFAVVAYMP NYLGHPDNYV QANPLSTPAH IVPEWYFLPF DATA SEQUENCE YAILRAFAAD VWVVILVDGL TFGIVDAKFF GVIAMFGAIA VMALAPWLDT DATA SEQUENCE SKVRSGAYRP KFRMWFWFLV LDFVVLTWVG AMPTEYPYDW ISLIASTYWF DATA SEQUENCE AYFLVILPLL GATEKPEPIP ASIEEDF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 0.001 0.000 1.055 2 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 2 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 3 G N -1.212 107.590 108.800 0.003 0.000 2.291 3 G HA2 0.334 4.263 3.960 -0.052 0.000 0.271 3 G HA3 0.334 4.263 3.960 -0.052 0.000 0.271 3 G C 0.810 175.720 174.900 0.016 0.000 1.099 3 G CA 0.677 45.781 45.100 0.008 0.000 0.919 3 G HN 2.347 nan 8.290 nan 0.000 0.496 4 I N -0.545 120.037 120.570 0.020 0.000 3.432 4 I HA 0.951 5.089 4.170 -0.052 0.000 0.291 4 I C 0.327 176.465 176.117 0.034 0.000 1.127 4 I CA -0.419 60.901 61.300 0.032 0.000 0.962 4 I CB -0.867 37.154 38.000 0.036 0.000 1.550 4 I HN 0.585 nan 8.210 nan 0.000 0.736 5 P HA 0.106 nan 4.420 nan 0.000 0.228 5 P C 0.952 178.271 177.300 0.031 0.000 1.151 5 P CA 3.735 66.859 63.100 0.040 0.000 0.770 5 P CB -1.570 30.160 31.700 0.050 0.000 0.786 6 H N -5.008 114.080 119.070 0.030 0.000 3.284 6 H HA -0.261 4.263 4.556 -0.052 0.000 0.257 6 H C 1.285 176.628 175.328 0.025 0.000 1.091 6 H CA 2.207 58.270 56.048 0.026 0.000 1.190 6 H CB -2.781 26.994 29.762 0.021 0.000 1.268 6 H HN 0.874 nan 8.280 nan 0.000 0.322 7 D N -1.929 118.486 120.400 0.025 0.000 1.861 7 D HA 0.165 4.774 4.640 -0.052 0.000 0.502 7 D C 2.036 178.346 176.300 0.018 0.000 1.425 7 D CA 4.750 58.762 54.000 0.020 0.000 1.413 7 D CB -1.663 39.147 40.800 0.016 0.000 2.158 7 D HN 2.756 nan 8.370 nan 0.000 0.664 8 H N -4.540 114.539 119.070 0.015 0.000 4.923 8 H HA 0.082 4.606 4.556 -0.052 0.000 0.073 8 H C 2.248 177.584 175.328 0.013 0.000 0.574 8 H CA 4.092 60.150 56.048 0.016 0.000 1.046 8 H CB -1.976 27.799 29.762 0.022 0.000 0.465 8 H HN 2.771 nan 8.280 nan 0.000 0.757 9 Y N -0.511 119.797 120.300 0.014 0.000 2.836 9 Y HA 0.247 4.766 4.550 -0.052 0.000 0.470 9 Y C 2.423 178.333 175.900 0.016 0.000 1.158 9 Y CA 4.354 62.462 58.100 0.013 0.000 2.671 9 Y CB -2.399 36.066 38.460 0.008 0.000 1.183 9 Y HN 3.313 nan 8.280 nan 0.000 0.621 10 E N -3.399 116.811 120.200 0.017 0.000 4.373 10 E HA 0.195 4.514 4.350 -0.052 0.000 0.412 10 E C 0.090 176.701 176.600 0.018 0.000 0.537 10 E CA 1.997 58.410 56.400 0.022 0.000 1.539 10 E CB -3.235 26.478 29.700 0.022 0.000 1.964 10 E HN 2.579 nan 8.360 nan 0.000 0.298 11 P HA 0.171 nan 4.420 nan 0.000 0.206 11 P C 1.993 179.300 177.300 0.013 0.000 1.209 11 P CA 3.957 67.064 63.100 0.011 0.000 0.923 11 P CB -0.594 31.112 31.700 0.010 0.000 0.761 12 K N -2.086 118.321 120.400 0.012 0.000 2.582 12 K HA -0.112 4.176 4.320 -0.052 0.000 0.194 12 K C 1.335 177.945 176.600 0.017 0.000 0.771 12 K CA 4.622 60.917 56.287 0.014 0.000 1.030 12 K CB -2.368 30.141 32.500 0.015 0.000 1.289 12 K HN 1.542 nan 8.250 nan 0.000 0.598 13 T N -5.758 108.809 114.554 0.022 0.000 2.684 13 T HA 0.586 4.905 4.350 -0.052 0.000 0.279 13 T C 1.633 176.348 174.700 0.025 0.000 1.997 13 T CA 0.718 62.831 62.100 0.021 0.000 0.938 13 T CB -0.705 68.178 68.868 0.025 0.000 2.162 13 T HN 1.257 nan 8.240 nan 0.000 0.423 14 G N 0.178 108.991 108.800 0.020 0.000 2.402 14 G HA2 0.316 4.245 3.960 -0.052 0.000 0.216 14 G HA3 0.316 4.245 3.960 -0.052 0.000 0.216 14 G C 2.073 177.012 174.900 0.066 0.000 1.162 14 G CA 2.627 47.733 45.100 0.010 0.000 0.777 14 G HN 1.776 nan 8.290 nan 0.000 0.539 15 I N 1.042 121.669 120.570 0.094 0.000 2.091 15 I HA 0.066 4.205 4.170 -0.052 0.000 0.239 15 I C 2.849 179.057 176.117 0.152 0.000 1.061 15 I CA 3.166 64.556 61.300 0.151 0.000 1.317 15 I CB -1.708 36.352 38.000 0.100 0.000 1.031 15 I HN 0.498 nan 8.210 nan 0.000 0.401 16 E N 0.813 121.068 120.200 0.091 0.000 2.097 16 E HA -0.311 4.007 4.350 -0.052 0.000 0.196 16 E C 2.473 179.132 176.600 0.099 0.000 1.000 16 E CA 3.604 60.050 56.400 0.076 0.000 0.804 16 E CB -1.476 28.251 29.700 0.044 0.000 0.740 16 E HN 1.131 nan 8.360 nan 0.000 0.454 17 K N -0.390 120.064 120.400 0.090 0.000 2.009 17 K HA -0.102 4.186 4.320 -0.052 0.000 0.210 17 K C 2.042 178.753 176.600 0.186 0.000 1.049 17 K CA 1.506 57.841 56.287 0.081 0.000 0.929 17 K CB -1.328 31.175 32.500 0.007 0.000 0.714 17 K HN 0.753 nan 8.250 nan 0.000 0.440 18 W N 0.257 121.559 121.300 0.003 0.000 2.309 18 W HA -0.165 4.464 4.660 -0.052 0.000 0.326 18 W C 2.600 179.121 176.519 0.003 0.000 1.222 18 W CA 1.732 59.079 57.345 0.004 0.000 1.237 18 W CB -0.320 29.142 29.460 0.004 0.000 1.180 18 W HN 0.300 nan 8.180 nan 0.000 0.456 19 L N 0.353 121.738 121.223 0.270 0.000 2.740 19 L HA -0.084 4.225 4.340 -0.052 0.000 0.242 19 L C 1.824 178.752 176.870 0.097 0.000 1.175 19 L CA 2.619 57.511 54.840 0.087 0.000 0.859 19 L CB -2.883 39.197 42.059 0.035 0.000 0.992 19 L HN 0.599 nan 8.230 nan 0.000 0.454 20 H N -2.566 116.592 119.070 0.147 0.000 2.654 20 H HA 0.354 4.879 4.556 -0.052 0.000 0.264 20 H C 1.948 177.350 175.328 0.122 0.000 0.954 20 H CA 1.469 57.580 56.048 0.103 0.000 1.199 20 H CB -0.383 29.431 29.762 0.087 0.000 1.446 20 H HN 0.790 nan 8.280 nan 0.000 0.516 21 D N 0.231 120.754 120.400 0.205 0.000 2.349 21 D HA 0.188 4.797 4.640 -0.052 0.000 0.224 21 D C 0.878 177.263 176.300 0.141 0.000 1.029 21 D CA -0.030 54.110 54.000 0.233 0.000 0.879 21 D CB 0.214 41.318 40.800 0.507 0.000 0.906 21 D HN 0.389 nan 8.370 nan 0.000 0.528 22 R N -0.062 120.495 120.500 0.095 0.000 2.514 22 R HA 0.424 4.733 4.340 -0.052 0.000 0.296 22 R C 1.220 177.534 176.300 0.023 0.000 1.012 22 R CA -0.279 55.841 56.100 0.033 0.000 0.897 22 R CB 1.685 31.972 30.300 -0.020 0.000 1.184 22 R HN 0.209 nan 8.270 nan 0.000 0.440 23 L N 3.546 124.779 121.223 0.017 0.000 1.981 23 L HA -0.190 4.119 4.340 -0.052 0.000 0.243 23 L C -0.413 176.459 176.870 0.004 0.000 1.088 23 L CA 1.760 56.608 54.840 0.014 0.000 0.849 23 L CB -2.796 39.268 42.059 0.008 0.000 0.914 23 L HN 0.752 nan 8.230 nan 0.000 0.429 24 P HA -0.438 nan 4.420 nan 0.000 0.260 24 P C 1.585 178.880 177.300 -0.007 0.000 0.772 24 P CA 2.470 65.562 63.100 -0.013 0.000 1.039 24 P CB -0.739 30.949 31.700 -0.020 0.000 0.829 25 I N 1.306 121.873 120.570 -0.005 0.000 2.103 25 I HA -0.295 3.844 4.170 -0.052 0.000 0.241 25 I C 2.629 178.745 176.117 -0.001 0.000 1.036 25 I CA 3.202 64.499 61.300 -0.005 0.000 1.300 25 I CB -1.764 36.238 38.000 0.004 0.000 1.010 25 I HN 0.392 nan 8.210 nan 0.000 0.406 26 V N 1.472 121.392 119.914 0.010 0.000 2.217 26 V HA -0.311 3.777 4.120 -0.052 0.000 0.248 26 V C 2.721 178.825 176.094 0.016 0.000 1.050 26 V CA 3.687 65.997 62.300 0.016 0.000 1.007 26 V CB -1.960 29.878 31.823 0.025 0.000 0.639 26 V HN 0.501 nan 8.190 nan 0.000 0.452 27 G N -1.083 107.726 108.800 0.016 0.000 2.513 27 G HA2 -0.256 3.673 3.960 -0.052 0.000 0.219 27 G HA3 -0.256 3.673 3.960 -0.052 0.000 0.219 27 G C 1.844 176.752 174.900 0.013 0.000 1.160 27 G CA 2.504 47.615 45.100 0.018 0.000 0.767 27 G HN 0.990 nan 8.290 nan 0.000 0.571 28 L N 0.955 122.178 121.223 0.001 0.000 1.941 28 L HA -0.047 4.261 4.340 -0.052 0.000 0.224 28 L C 3.434 180.305 176.870 0.002 0.000 1.081 28 L CA 3.127 57.967 54.840 -0.001 0.000 0.784 28 L CB -1.336 40.716 42.059 -0.011 0.000 0.894 28 L HN 0.571 nan 8.230 nan 0.000 0.436 29 V N -1.756 118.148 119.914 -0.017 0.000 2.220 29 V HA -0.348 3.741 4.120 -0.052 0.000 0.250 29 V C 2.403 178.504 176.094 0.012 0.000 1.053 29 V CA 3.735 66.018 62.300 -0.029 0.000 1.019 29 V CB -1.688 30.116 31.823 -0.033 0.000 0.646 29 V HN 0.680 nan 8.190 nan 0.000 0.455 30 Y N -0.457 119.859 120.300 0.026 0.000 2.016 30 Y HA -0.329 4.190 4.550 -0.052 0.000 0.224 30 Y C 2.663 178.615 175.900 0.086 0.000 1.030 30 Y CA 1.749 59.880 58.100 0.052 0.000 1.010 30 Y CB -1.293 37.199 38.460 0.053 0.000 0.939 30 Y HN 0.695 nan 8.280 nan 0.000 0.514 31 D N -1.352 119.110 120.400 0.103 0.000 2.158 31 D HA -0.135 4.474 4.640 -0.052 0.000 0.197 31 D C 1.883 178.294 176.300 0.184 0.000 0.995 31 D CA 1.937 56.042 54.000 0.176 0.000 0.846 31 D CB -0.425 40.449 40.800 0.124 0.000 0.941 31 D HN 0.390 nan 8.370 nan 0.000 0.456 32 T N -1.279 113.330 114.554 0.090 0.000 3.081 32 T HA 0.202 4.520 4.350 -0.052 0.000 0.255 32 T C 1.507 176.297 174.700 0.150 0.000 1.113 32 T CA 0.320 62.470 62.100 0.084 0.000 1.082 32 T CB 0.445 69.338 68.868 0.041 0.000 0.939 32 T HN 0.110 nan 8.240 nan 0.000 0.506 33 I N -1.057 119.603 120.570 0.151 0.000 3.680 33 I HA 0.197 4.336 4.170 -0.052 0.000 0.261 33 I C 0.261 176.547 176.117 0.281 0.000 1.121 33 I CA -0.051 61.387 61.300 0.230 0.000 1.429 33 I CB 0.423 38.464 38.000 0.067 0.000 1.719 33 I HN -0.007 nan 8.210 nan 0.000 0.413 34 M N 2.574 122.270 119.600 0.161 0.000 3.663 34 M HA 0.213 4.662 4.480 -0.052 0.000 0.198 34 M C -0.162 176.234 176.300 0.161 0.000 1.365 34 M CA 0.085 55.486 55.300 0.168 0.000 1.595 34 M CB -0.910 31.743 32.600 0.089 0.000 1.120 34 M HN -0.012 nan 8.290 nan 0.000 0.522 35 I N 1.858 122.541 120.570 0.189 0.000 2.359 35 I HA 0.442 4.580 4.170 -0.052 0.000 0.294 35 I C -2.189 174.006 176.117 0.130 0.000 0.987 35 I CA -2.488 58.870 61.300 0.097 0.000 1.225 35 I CB 1.869 39.847 38.000 -0.038 0.000 1.366 35 I HN 0.193 nan 8.210 nan 0.000 0.466 36 P HA 0.122 nan 4.420 nan 0.000 0.257 36 P C -1.007 176.292 177.300 -0.002 0.000 1.189 36 P CA 0.547 63.684 63.100 0.061 0.000 0.780 36 P CB -0.038 31.681 31.700 0.033 0.000 0.772 37 T N 5.609 120.129 114.554 -0.057 0.000 2.809 37 T HA 0.347 4.665 4.350 -0.052 0.000 0.284 37 T C -2.606 171.958 174.700 -0.227 0.000 0.992 37 T CA -2.296 59.585 62.100 -0.365 0.000 0.957 37 T CB 1.096 69.252 68.868 -1.188 0.000 0.942 37 T HN 0.027 nan 8.240 nan 0.000 0.439 38 P HA -0.038 nan 4.420 nan 0.000 0.253 38 P C 1.014 178.416 177.300 0.170 0.000 1.159 38 P CA 0.128 63.212 63.100 -0.026 0.000 0.779 38 P CB 0.469 32.091 31.700 -0.129 0.000 0.745 39 K N 5.980 126.499 120.400 0.199 0.000 2.052 39 K HA -0.343 3.946 4.320 -0.052 0.000 0.215 39 K C 1.544 178.178 176.600 0.057 0.000 1.053 39 K CA 2.415 58.804 56.287 0.170 0.000 0.934 39 K CB -0.411 32.090 32.500 0.001 0.000 0.717 39 K HN 0.396 nan 8.250 nan 0.000 0.450 40 N N 1.848 120.532 118.700 -0.026 0.000 2.132 40 N HA -0.242 4.467 4.740 -0.052 0.000 0.191 40 N C 0.538 175.985 175.510 -0.105 0.000 1.015 40 N CA 1.133 54.128 53.050 -0.092 0.000 0.864 40 N CB -1.208 37.204 38.487 -0.125 0.000 1.006 40 N HN 0.328 nan 8.380 nan 0.000 0.430 41 L N 1.618 122.768 121.223 -0.122 0.000 3.374 41 L HA -0.198 4.110 4.340 -0.052 0.000 0.354 41 L C 0.360 177.272 176.870 0.070 0.000 0.900 41 L CA 0.224 54.940 54.840 -0.206 0.000 0.918 41 L CB -1.338 40.831 42.059 0.183 0.000 1.487 41 L HN 0.271 nan 8.230 nan 0.000 0.578 42 N N 2.056 120.824 118.700 0.113 0.000 2.273 42 N HA -0.109 4.599 4.740 -0.052 0.000 0.227 42 N C 0.987 176.885 175.510 0.645 0.000 1.292 42 N CA 0.384 53.663 53.050 0.383 0.000 0.875 42 N CB 0.314 39.154 38.487 0.588 0.000 1.105 42 N HN 0.466 nan 8.380 nan 0.000 0.434 43 W N 0.100 121.533 121.300 0.221 0.000 2.338 43 W HA -0.197 4.432 4.660 -0.051 0.000 0.304 43 W C 1.399 178.086 176.519 0.280 0.000 1.212 43 W CA -0.048 57.404 57.345 0.177 0.000 1.264 43 W CB -0.146 29.356 29.460 0.069 0.000 1.142 43 W HN 0.678 nan 8.180 nan 0.000 0.512 44 W N -0.708 120.757 121.300 0.275 0.000 2.401 44 W HA -0.260 4.370 4.660 -0.049 0.000 0.264 44 W C 1.716 178.145 176.519 -0.150 0.000 1.209 44 W CA -0.164 57.171 57.345 -0.018 0.000 1.170 44 W CB -0.603 28.912 29.460 0.091 0.000 1.134 44 W HN 0.079 nan 8.180 nan 0.000 0.587 45 W N -0.057 121.383 121.300 0.232 0.000 3.377 45 W HA 0.046 4.676 4.660 -0.050 0.000 0.277 45 W C 1.092 177.670 176.519 0.097 0.000 1.311 45 W CA 0.126 57.577 57.345 0.178 0.000 1.703 45 W CB -0.239 29.373 29.460 0.254 0.000 1.095 45 W HN -0.179 nan 8.180 nan 0.000 0.715 46 I N -1.097 119.445 120.570 -0.046 0.000 3.764 46 I HA -0.012 4.126 4.170 -0.052 0.000 0.312 46 I C 1.154 177.335 176.117 0.107 0.000 1.340 46 I CA 0.786 62.035 61.300 -0.085 0.000 1.195 46 I CB -0.571 37.163 38.000 -0.443 0.000 1.068 46 I HN -0.060 nan 8.210 nan 0.000 0.421 47 W N -0.169 121.105 121.300 -0.044 0.000 2.574 47 W HA 0.147 4.778 4.660 -0.047 0.000 0.282 47 W C 2.420 179.055 176.519 0.193 0.000 1.197 47 W CA 0.418 57.819 57.345 0.094 0.000 1.376 47 W CB -0.182 29.317 29.460 0.065 0.000 1.091 47 W HN 0.246 nan 8.180 nan 0.000 0.569 48 G N 0.949 110.077 108.800 0.547 0.000 2.450 48 G HA2 -0.329 3.600 3.960 -0.052 0.000 0.220 48 G HA3 -0.329 3.600 3.960 -0.052 0.000 0.220 48 G C 1.271 176.267 174.900 0.161 0.000 1.130 48 G CA 1.229 46.437 45.100 0.179 0.000 0.760 48 G HN 0.179 nan 8.290 nan 0.000 0.557 49 I N 0.478 121.198 120.570 0.250 0.000 2.099 49 I HA -0.156 3.982 4.170 -0.052 0.000 0.239 49 I C 2.671 178.919 176.117 0.218 0.000 1.066 49 I CA 1.265 62.708 61.300 0.239 0.000 1.324 49 I CB -0.618 37.527 38.000 0.242 0.000 1.037 49 I HN 0.053 nan 8.210 nan 0.000 0.401 50 V N 0.480 120.570 119.914 0.293 0.000 2.324 50 V HA -0.308 3.780 4.120 -0.052 0.000 0.250 50 V C 2.563 178.722 176.094 0.107 0.000 1.060 50 V CA 2.281 64.746 62.300 0.275 0.000 1.042 50 V CB -0.425 31.690 31.823 0.486 0.000 0.650 50 V HN 0.498 nan 8.190 nan 0.000 0.450 51 L N -0.336 120.849 121.223 -0.063 0.000 1.944 51 L HA -0.239 4.070 4.340 -0.052 0.000 0.218 51 L C 2.750 179.457 176.870 -0.273 0.000 1.075 51 L CA 2.154 56.768 54.840 -0.377 0.000 0.767 51 L CB -0.967 40.744 42.059 -0.581 0.000 0.890 51 L HN 0.395 nan 8.230 nan 0.000 0.434 52 A N -0.477 122.273 122.820 -0.117 0.000 1.940 52 A HA -0.336 3.952 4.320 -0.052 0.000 0.221 52 A C 2.160 179.748 177.584 0.008 0.000 1.190 52 A CA 2.329 54.348 52.037 -0.030 0.000 0.647 52 A CB -1.111 17.930 19.000 0.070 0.000 0.821 52 A HN 0.476 nan 8.150 nan 0.000 0.457 53 F N 1.483 121.417 119.950 -0.026 0.000 2.046 53 F HA -0.193 4.303 4.527 -0.051 0.000 0.297 53 F C 2.535 178.319 175.800 -0.025 0.000 1.123 53 F CA 2.493 60.487 58.000 -0.011 0.000 1.199 53 F CB -1.051 37.949 39.000 -0.000 0.000 0.972 53 F HN 0.256 nan 8.300 nan 0.000 0.474 54 T N 2.818 117.278 114.554 -0.157 0.000 2.592 54 T HA -0.293 4.026 4.350 -0.052 0.000 0.267 54 T C 2.078 176.694 174.700 -0.140 0.000 1.060 54 T CA 1.770 63.745 62.100 -0.209 0.000 1.167 54 T CB -1.008 67.853 68.868 -0.012 0.000 0.863 54 T HN 0.330 nan 8.240 nan 0.000 0.431 55 L N 1.498 122.758 121.223 0.062 0.000 1.991 55 L HA -0.174 4.135 4.340 -0.052 0.000 0.221 55 L C 2.534 179.324 176.870 -0.133 0.000 1.079 55 L CA 2.048 56.981 54.840 0.155 0.000 0.778 55 L CB -1.310 40.849 42.059 0.167 0.000 0.893 55 L HN 0.202 nan 8.230 nan 0.000 0.437 56 V N 0.101 119.887 119.914 -0.213 0.000 2.332 56 V HA -0.317 3.771 4.120 -0.052 0.000 0.248 56 V C 2.739 178.643 176.094 -0.316 0.000 1.055 56 V CA 1.751 63.902 62.300 -0.248 0.000 1.038 56 V CB -0.606 31.100 31.823 -0.195 0.000 0.651 56 V HN 0.545 nan 8.190 nan 0.000 0.450 57 L N -0.040 120.874 121.223 -0.515 0.000 1.951 57 L HA -0.268 4.040 4.340 -0.052 0.000 0.222 57 L C 2.575 179.283 176.870 -0.270 0.000 1.078 57 L CA 2.176 56.747 54.840 -0.448 0.000 0.778 57 L CB -0.951 40.756 42.059 -0.586 0.000 0.893 57 L HN 0.301 nan 8.230 nan 0.000 0.436 58 Q N -0.471 119.156 119.800 -0.288 0.000 2.047 58 Q HA -0.280 4.028 4.340 -0.052 0.000 0.211 58 Q C 2.275 178.105 176.000 -0.285 0.000 1.005 58 Q CA 2.613 58.208 55.803 -0.346 0.000 0.866 58 Q CB -0.815 27.706 28.738 -0.362 0.000 0.938 58 Q HN 0.559 nan 8.270 nan 0.000 0.414 59 I N 0.027 120.430 120.570 -0.279 0.000 2.068 59 I HA -0.317 3.821 4.170 -0.052 0.000 0.238 59 I C 2.519 178.520 176.117 -0.194 0.000 1.046 59 I CA 1.326 62.449 61.300 -0.294 0.000 1.306 59 I CB -1.225 36.552 38.000 -0.371 0.000 1.023 59 I HN 0.008 nan 8.210 nan 0.000 0.399 60 V N -0.601 119.221 119.914 -0.154 0.000 2.214 60 V HA -0.383 3.705 4.120 -0.052 0.000 0.247 60 V C 2.470 178.548 176.094 -0.027 0.000 1.051 60 V CA 2.674 64.927 62.300 -0.079 0.000 1.003 60 V CB -1.834 29.957 31.823 -0.053 0.000 0.635 60 V HN 0.635 nan 8.190 nan 0.000 0.447 61 T N 0.459 115.010 114.554 -0.005 0.000 2.620 61 T HA -0.257 4.061 4.350 -0.052 0.000 0.267 61 T C 1.884 176.675 174.700 0.151 0.000 1.044 61 T CA 2.971 65.117 62.100 0.076 0.000 1.161 61 T CB -1.039 67.892 68.868 0.105 0.000 0.862 61 T HN 0.684 nan 8.240 nan 0.000 0.438 62 G N 2.237 111.190 108.800 0.256 0.000 2.628 62 G HA2 -0.250 3.678 3.960 -0.052 0.000 0.217 62 G HA3 -0.250 3.678 3.960 -0.052 0.000 0.217 62 G C 1.606 176.471 174.900 -0.059 0.000 1.240 62 G CA 1.083 46.309 45.100 0.210 0.000 0.792 62 G HN 0.585 nan 8.290 nan 0.000 0.593 63 I N 2.022 122.507 120.570 -0.140 0.000 2.264 63 I HA -0.172 3.967 4.170 -0.052 0.000 0.248 63 I C 2.921 179.021 176.117 -0.028 0.000 1.111 63 I CA 2.351 63.546 61.300 -0.174 0.000 1.382 63 I CB -0.779 37.123 38.000 -0.162 0.000 1.060 63 I HN 0.212 nan 8.210 nan 0.000 0.418 64 V N 0.555 120.474 119.914 0.008 0.000 2.343 64 V HA -0.245 3.843 4.120 -0.052 0.000 0.247 64 V C 2.516 178.679 176.094 0.115 0.000 1.051 64 V CA 2.016 64.352 62.300 0.060 0.000 1.036 64 V CB -1.058 30.801 31.823 0.060 0.000 0.654 64 V HN 0.529 nan 8.190 nan 0.000 0.451 65 L N 0.620 121.883 121.223 0.068 0.000 2.005 65 L HA 0.002 4.311 4.340 -0.052 0.000 0.207 65 L C 2.712 179.658 176.870 0.126 0.000 1.072 65 L CA 2.074 56.953 54.840 0.066 0.000 0.744 65 L CB -0.810 41.193 42.059 -0.093 0.000 0.895 65 L HN 0.435 nan 8.230 nan 0.000 0.433 66 A N -0.334 122.525 122.820 0.066 0.000 2.178 66 A HA -0.237 4.051 4.320 -0.052 0.000 0.218 66 A C 2.136 179.859 177.584 0.232 0.000 1.157 66 A CA 1.431 53.584 52.037 0.194 0.000 0.689 66 A CB -0.666 18.449 19.000 0.192 0.000 0.787 66 A HN 0.650 nan 8.150 nan 0.000 0.465 67 M N -1.286 118.380 119.600 0.110 0.000 2.682 67 M HA 0.004 4.452 4.480 -0.052 0.000 0.235 67 M C 0.744 176.868 176.300 -0.293 0.000 1.114 67 M CA 1.135 56.410 55.300 -0.041 0.000 1.053 67 M CB -0.190 32.355 32.600 -0.093 0.000 1.599 67 M HN 0.567 nan 8.290 nan 0.000 0.520 68 H N -2.758 116.398 119.070 0.142 0.000 3.436 68 H HA 0.134 4.658 4.556 -0.053 0.000 0.244 68 H C -0.128 175.271 175.328 0.118 0.000 1.009 68 H CA -0.245 55.878 56.048 0.125 0.000 1.129 68 H CB 0.255 30.120 29.762 0.172 0.000 1.473 68 H HN 0.328 nan 8.280 nan 0.000 0.510 69 Y N 1.859 122.229 120.300 0.117 0.000 2.285 69 Y HA 0.201 4.719 4.550 -0.053 0.000 0.356 69 Y C -0.117 175.732 175.900 -0.084 0.000 1.267 69 Y CA 0.532 58.650 58.100 0.030 0.000 1.574 69 Y CB 0.622 39.102 38.460 0.035 0.000 1.378 69 Y HN -0.060 nan 8.280 nan 0.000 0.679 70 T N 4.986 118.710 114.554 -1.382 0.000 3.293 70 T HA 0.286 4.605 4.350 -0.052 0.000 0.320 70 T C -3.016 170.798 174.700 -1.476 0.000 0.995 70 T CA -1.095 60.367 62.100 -1.062 0.000 1.041 70 T CB 1.403 69.924 68.868 -0.579 0.000 1.058 70 T HN 0.368 nan 8.240 nan 0.000 0.453 71 P HA 0.496 nan 4.420 nan 0.000 0.287 71 P C -0.876 176.247 177.300 -0.295 0.000 1.281 71 P CA 0.003 62.814 63.100 -0.482 0.000 0.781 71 P CB 0.455 31.859 31.700 -0.492 0.000 0.903 72 H N 2.244 121.083 119.070 -0.386 0.000 5.177 72 H HA -0.058 4.467 4.556 -0.052 0.000 0.734 72 H C -0.158 174.878 175.328 -0.486 0.000 1.946 72 H CA -0.283 55.527 56.048 -0.396 0.000 1.551 72 H CB -0.162 29.400 29.762 -0.333 0.000 4.010 72 H HN 0.032 nan 8.280 nan 0.000 0.568 73 V N 3.542 123.104 119.914 -0.587 0.000 2.944 73 V HA -0.184 3.905 4.120 -0.052 0.000 0.265 73 V C 1.585 177.543 176.094 -0.227 0.000 1.125 73 V CA 2.274 64.084 62.300 -0.817 0.000 1.145 73 V CB -0.228 30.887 31.823 -1.180 0.000 0.725 73 V HN 0.538 nan 8.190 nan 0.000 0.510 74 D N -1.128 119.408 120.400 0.227 0.000 2.389 74 D HA 0.184 4.793 4.640 -0.052 0.000 0.206 74 D C 1.688 177.901 176.300 -0.144 0.000 1.055 74 D CA 0.502 54.484 54.000 -0.030 0.000 0.856 74 D CB 0.618 41.394 40.800 -0.040 0.000 0.957 74 D HN 0.383 nan 8.370 nan 0.000 0.509 75 L N -0.631 120.472 121.223 -0.201 0.000 2.766 75 L HA 0.359 4.668 4.340 -0.052 0.000 0.241 75 L C 2.154 178.959 176.870 -0.109 0.000 1.080 75 L CA 0.140 54.863 54.840 -0.195 0.000 0.909 75 L CB -0.219 41.649 42.059 -0.320 0.000 1.277 75 L HN -0.165 nan 8.230 nan 0.000 0.510 76 A N 1.752 124.503 122.820 -0.114 0.000 2.182 76 A HA -0.374 3.914 4.320 -0.052 0.000 0.235 76 A C 2.034 179.734 177.584 0.193 0.000 1.757 76 A CA 2.522 54.548 52.037 -0.018 0.000 0.923 76 A CB -1.488 17.580 19.000 0.115 0.000 0.784 76 A HN 0.374 nan 8.150 nan 0.000 0.514 77 F N 0.023 120.041 119.950 0.114 0.000 2.048 77 F HA -0.311 4.191 4.527 -0.042 0.000 0.296 77 F C 2.797 178.652 175.800 0.090 0.000 1.109 77 F CA 1.767 59.837 58.000 0.117 0.000 1.214 77 F CB -0.361 38.711 39.000 0.121 0.000 0.963 77 F HN 0.419 nan 8.300 nan 0.000 0.491 78 A N -0.719 122.249 122.820 0.245 0.000 1.892 78 A HA -0.315 3.974 4.320 -0.052 0.000 0.218 78 A C 2.164 179.835 177.584 0.144 0.000 1.188 78 A CA 2.241 54.337 52.037 0.099 0.000 0.631 78 A CB -1.482 17.530 19.000 0.020 0.000 0.822 78 A HN 0.535 nan 8.150 nan 0.000 0.447 79 S N -0.721 115.034 115.700 0.092 0.000 2.369 79 S HA -0.206 4.232 4.470 -0.052 0.000 0.225 79 S C 1.904 176.644 174.600 0.233 0.000 1.043 79 S CA 2.129 60.370 58.200 0.069 0.000 1.074 79 S CB -0.842 62.287 63.200 -0.118 0.000 0.962 79 S HN 0.385 nan 8.310 nan 0.000 0.433 80 V N 1.754 121.850 119.914 0.304 0.000 2.215 80 V HA -0.233 3.856 4.120 -0.052 0.000 0.249 80 V C 2.645 178.893 176.094 0.256 0.000 1.054 80 V CA 2.622 65.103 62.300 0.302 0.000 1.012 80 V CB -1.193 30.819 31.823 0.315 0.000 0.639 80 V HN 0.502 nan 8.190 nan 0.000 0.448 81 E N -0.453 119.914 120.200 0.278 0.000 2.072 81 E HA -0.289 4.029 4.350 -0.052 0.000 0.218 81 E C 2.191 178.881 176.600 0.151 0.000 1.051 81 E CA 2.044 58.560 56.400 0.192 0.000 0.880 81 E CB -0.805 28.956 29.700 0.102 0.000 0.783 81 E HN 0.735 nan 8.360 nan 0.000 0.473 82 H N 0.075 119.189 119.070 0.074 0.000 2.272 82 H HA -0.240 4.284 4.556 -0.053 0.000 0.289 82 H C 2.317 177.669 175.328 0.041 0.000 1.100 82 H CA 2.296 58.373 56.048 0.048 0.000 1.209 82 H CB -0.614 29.170 29.762 0.038 0.000 1.348 82 H HN 0.193 nan 8.280 nan 0.000 0.481 83 I N 1.089 121.774 120.570 0.193 0.000 2.053 83 I HA -0.309 3.830 4.170 -0.052 0.000 0.236 83 I C 2.542 178.636 176.117 -0.039 0.000 1.038 83 I CA 1.846 63.193 61.300 0.078 0.000 1.304 83 I CB -0.324 37.767 38.000 0.152 0.000 1.023 83 I HN 0.318 nan 8.210 nan 0.000 0.395 84 M N 0.676 120.305 119.600 0.048 0.000 3.607 84 M HA 0.125 4.573 4.480 -0.052 0.000 0.206 84 M C 0.746 177.129 176.300 0.138 0.000 1.314 84 M CA 0.560 55.920 55.300 0.101 0.000 1.526 84 M CB -0.543 32.135 32.600 0.129 0.000 1.101 84 M HN 0.294 nan 8.290 nan 0.000 0.539 85 R N -1.142 119.386 120.500 0.047 0.000 2.333 85 R HA 0.027 4.335 4.340 -0.052 0.000 0.082 85 R C -0.570 175.688 176.300 -0.071 0.000 0.528 85 R CA 0.242 56.362 56.100 0.034 0.000 0.877 85 R CB 0.378 30.703 30.300 0.042 0.000 1.050 85 R HN 0.406 nan 8.270 nan 0.000 0.526 86 D N -0.047 120.232 120.400 -0.203 0.000 2.411 86 D HA 0.142 4.750 4.640 -0.052 0.000 0.374 86 D C -0.790 175.337 176.300 -0.288 0.000 1.187 86 D CA 0.293 54.120 54.000 -0.288 0.000 0.928 86 D CB 1.742 42.246 40.800 -0.493 0.000 1.402 86 D HN -0.064 nan 8.370 nan 0.000 0.478 87 V N 3.006 122.752 119.914 -0.279 0.000 2.370 87 V HA 0.177 4.265 4.120 -0.052 0.000 0.283 87 V C -0.143 175.883 176.094 -0.114 0.000 1.023 87 V CA -0.949 61.195 62.300 -0.260 0.000 0.857 87 V CB 1.229 32.760 31.823 -0.487 0.000 0.985 87 V HN 0.103 nan 8.190 nan 0.000 0.443 88 N N 3.976 122.649 118.700 -0.046 0.000 2.429 88 N HA 0.322 5.030 4.740 -0.052 0.000 0.298 88 N C 0.824 176.334 175.510 0.000 0.000 1.256 88 N CA 0.621 53.689 53.050 0.031 0.000 1.090 88 N CB 0.180 38.695 38.487 0.047 0.000 1.477 88 N HN 0.973 nan 8.380 nan 0.000 0.491 89 G N -0.919 107.851 108.800 -0.050 0.000 3.751 89 G HA2 0.041 3.969 3.960 -0.052 0.000 0.216 89 G HA3 0.041 3.969 3.960 -0.052 0.000 0.216 89 G C 0.846 175.487 174.900 -0.431 0.000 0.911 89 G CA 0.068 45.041 45.100 -0.212 0.000 0.869 89 G HN 0.720 nan 8.290 nan 0.000 0.462 90 G N 1.947 110.613 108.800 -0.224 0.000 3.858 90 G HA2 -0.353 3.575 3.960 -0.052 0.000 0.401 90 G HA3 -0.353 3.575 3.960 -0.052 0.000 0.401 90 G C 1.698 176.420 174.900 -0.295 0.000 0.864 90 G CA 2.859 47.872 45.100 -0.145 0.000 0.718 90 G HN 1.126 nan 8.290 nan 0.000 1.399 91 W N 1.095 122.487 121.300 0.153 0.000 2.255 91 W HA -0.199 4.429 4.660 -0.053 0.000 0.318 91 W C 2.378 179.114 176.519 0.362 0.000 1.277 91 W CA 2.503 60.085 57.345 0.395 0.000 1.286 91 W CB -1.820 27.812 29.460 0.286 0.000 1.132 91 W HN 0.624 nan 8.180 nan 0.000 0.504 92 A N 2.187 123.865 122.820 -1.905 0.000 1.952 92 A HA -0.257 4.031 4.320 -0.052 0.000 0.206 92 A C 2.223 179.468 177.584 -0.564 0.000 1.213 92 A CA 3.062 54.153 52.037 -1.576 0.000 0.690 92 A CB -1.216 16.896 19.000 -1.480 0.000 0.854 92 A HN 0.188 nan 8.150 nan 0.000 0.485 93 M N -0.861 118.482 119.600 -0.428 0.000 2.894 93 M HA -0.257 4.192 4.480 -0.052 0.000 0.268 93 M C 2.171 178.413 176.300 -0.096 0.000 1.054 93 M CA 2.298 57.489 55.300 -0.181 0.000 1.062 93 M CB -1.822 30.697 32.600 -0.135 0.000 1.242 93 M HN 0.595 nan 8.290 nan 0.000 0.508 94 R N 0.008 120.437 120.500 -0.120 0.000 2.179 94 R HA -0.235 4.073 4.340 -0.052 0.000 0.238 94 R C 2.213 178.468 176.300 -0.075 0.000 1.119 94 R CA 2.499 58.526 56.100 -0.122 0.000 0.915 94 R CB -1.421 28.775 30.300 -0.173 0.000 0.870 94 R HN 0.521 nan 8.270 nan 0.000 0.432 95 Y N 0.680 120.968 120.300 -0.020 0.000 2.069 95 Y HA -0.267 4.253 4.550 -0.050 0.000 0.278 95 Y C 2.547 178.453 175.900 0.010 0.000 1.175 95 Y CA 2.073 60.180 58.100 0.011 0.000 1.134 95 Y CB -0.412 38.062 38.460 0.022 0.000 0.965 95 Y HN 0.131 nan 8.280 nan 0.000 0.498 96 I N -0.971 119.665 120.570 0.110 0.000 2.069 96 I HA -0.426 3.712 4.170 -0.052 0.000 0.237 96 I C 2.370 178.633 176.117 0.243 0.000 1.053 96 I CA 2.134 63.514 61.300 0.134 0.000 1.311 96 I CB -0.810 37.193 38.000 0.005 0.000 1.030 96 I HN 0.277 nan 8.210 nan 0.000 0.398 97 H N 0.750 119.853 119.070 0.056 0.000 2.265 97 H HA -0.258 4.264 4.556 -0.056 0.000 0.293 97 H C 2.229 177.606 175.328 0.083 0.000 1.089 97 H CA 2.427 58.500 56.048 0.041 0.000 1.244 97 H CB -0.101 29.652 29.762 -0.016 0.000 1.355 97 H HN 0.378 nan 8.280 nan 0.000 0.485 98 A N 0.264 123.238 122.820 0.257 0.000 1.851 98 A HA -0.287 4.001 4.320 -0.052 0.000 0.216 98 A C 2.227 179.934 177.584 0.205 0.000 1.195 98 A CA 2.173 54.328 52.037 0.195 0.000 0.622 98 A CB -0.929 18.132 19.000 0.102 0.000 0.831 98 A HN 0.704 nan 8.150 nan 0.000 0.444 99 N N -0.182 118.663 118.700 0.242 0.000 2.069 99 N HA -0.053 4.655 4.740 -0.052 0.000 0.191 99 N C 1.856 177.656 175.510 0.484 0.000 1.031 99 N CA 1.413 54.654 53.050 0.318 0.000 0.852 99 N CB -0.514 38.097 38.487 0.206 0.000 1.018 99 N HN 0.490 nan 8.380 nan 0.000 0.423 100 G N 0.865 109.954 108.800 0.482 0.000 2.599 100 G HA2 -0.360 3.568 3.960 -0.052 0.000 0.219 100 G HA3 -0.360 3.568 3.960 -0.052 0.000 0.219 100 G C 1.581 176.604 174.900 0.205 0.000 1.193 100 G CA 1.506 46.732 45.100 0.209 0.000 0.778 100 G HN 0.447 nan 8.290 nan 0.000 0.589 101 A N 0.344 123.245 122.820 0.134 0.000 1.863 101 A HA -0.216 4.073 4.320 -0.052 0.000 0.218 101 A C 2.674 180.511 177.584 0.421 0.000 1.233 101 A CA 3.135 55.282 52.037 0.183 0.000 0.655 101 A CB -1.344 17.764 19.000 0.180 0.000 0.839 101 A HN 0.522 nan 8.150 nan 0.000 0.454 102 S N -0.773 115.139 115.700 0.354 0.000 2.387 102 S HA -0.184 4.255 4.470 -0.052 0.000 0.230 102 S C 1.932 176.882 174.600 0.583 0.000 1.035 102 S CA 1.780 60.231 58.200 0.417 0.000 1.014 102 S CB -0.699 62.694 63.200 0.321 0.000 0.836 102 S HN 0.804 nan 8.310 nan 0.000 0.466 103 L N 1.010 122.508 121.223 0.458 0.000 1.976 103 L HA 0.003 4.312 4.340 -0.052 0.000 0.209 103 L C 1.903 178.977 176.870 0.341 0.000 1.071 103 L CA 2.406 57.467 54.840 0.369 0.000 0.746 103 L CB -1.666 40.564 42.059 0.285 0.000 0.890 103 L HN 0.344 nan 8.230 nan 0.000 0.432 104 F N 0.085 120.114 119.950 0.132 0.000 2.045 104 F HA -0.323 4.175 4.527 -0.049 0.000 0.297 104 F C 2.166 178.016 175.800 0.084 0.000 1.114 104 F CA 1.994 60.017 58.000 0.038 0.000 1.207 104 F CB -1.070 37.946 39.000 0.028 0.000 0.964 104 F HN 0.177 nan 8.300 nan 0.000 0.486 105 F N 0.065 120.431 119.950 0.693 0.000 2.065 105 F HA -0.251 4.254 4.527 -0.036 0.000 0.298 105 F C 2.338 178.454 175.800 0.526 0.000 1.112 105 F CA 1.961 60.337 58.000 0.628 0.000 1.212 105 F CB -1.076 38.370 39.000 0.743 0.000 0.975 105 F HN 0.157 nan 8.300 nan 0.000 0.476 106 L N 0.532 122.163 121.223 0.681 0.000 1.971 106 L HA -0.216 4.093 4.340 -0.052 0.000 0.215 106 L C 2.398 179.299 176.870 0.052 0.000 1.072 106 L CA 2.257 57.379 54.840 0.471 0.000 0.758 106 L CB -1.560 40.698 42.059 0.331 0.000 0.889 106 L HN 0.120 nan 8.230 nan 0.000 0.433 107 A N -0.735 121.965 122.820 -0.200 0.000 1.859 107 A HA -0.255 4.034 4.320 -0.052 0.000 0.218 107 A C 2.289 179.485 177.584 -0.647 0.000 1.209 107 A CA 2.982 54.588 52.037 -0.719 0.000 0.639 107 A CB -1.500 17.113 19.000 -0.645 0.000 0.835 107 A HN 0.376 nan 8.150 nan 0.000 0.450 108 V N -1.418 118.199 119.914 -0.494 0.000 2.222 108 V HA -0.393 3.695 4.120 -0.052 0.000 0.252 108 V C 2.302 178.165 176.094 -0.386 0.000 1.060 108 V CA 2.611 64.597 62.300 -0.524 0.000 1.027 108 V CB -1.196 30.288 31.823 -0.564 0.000 0.644 108 V HN 0.674 nan 8.190 nan 0.000 0.448 109 Y N -0.225 119.939 120.300 -0.226 0.000 2.062 109 Y HA -0.340 4.175 4.550 -0.059 0.000 0.273 109 Y C 2.302 178.107 175.900 -0.158 0.000 1.206 109 Y CA 2.444 60.456 58.100 -0.147 0.000 1.125 109 Y CB -0.513 37.965 38.460 0.031 0.000 0.951 109 Y HN 0.204 nan 8.280 nan 0.000 0.501 110 I N -1.243 119.260 120.570 -0.111 0.000 2.076 110 I HA -0.420 3.719 4.170 -0.052 0.000 0.237 110 I C 2.365 178.393 176.117 -0.148 0.000 1.059 110 I CA 2.031 63.206 61.300 -0.209 0.000 1.317 110 I CB -0.871 36.824 38.000 -0.508 0.000 1.037 110 I HN 0.295 nan 8.210 nan 0.000 0.398 111 H N 1.364 120.159 119.070 -0.458 0.000 2.278 111 H HA -0.267 4.258 4.556 -0.052 0.000 0.287 111 H C 2.152 177.429 175.328 -0.086 0.000 1.107 111 H CA 2.846 58.774 56.048 -0.200 0.000 1.192 111 H CB -0.000 29.600 29.762 -0.270 0.000 1.346 111 H HN 0.163 nan 8.280 nan 0.000 0.478 112 I N -0.197 120.395 120.570 0.037 0.000 2.068 112 I HA -0.335 3.804 4.170 -0.052 0.000 0.238 112 I C 2.415 178.571 176.117 0.065 0.000 1.046 112 I CA 1.707 62.989 61.300 -0.030 0.000 1.306 112 I CB -1.714 36.102 38.000 -0.305 0.000 1.023 112 I HN 0.291 nan 8.210 nan 0.000 0.399 113 F N 0.914 120.861 119.950 -0.005 0.000 2.161 113 F HA -0.236 4.258 4.527 -0.055 0.000 0.300 113 F C 2.803 178.734 175.800 0.219 0.000 1.089 113 F CA 1.549 59.594 58.000 0.075 0.000 1.282 113 F CB -0.341 38.610 39.000 -0.081 0.000 1.010 113 F HN 0.068 nan 8.300 nan 0.000 0.485 114 R N 1.199 121.829 120.500 0.217 0.000 2.082 114 R HA -0.152 4.156 4.340 -0.052 0.000 0.234 114 R C 2.419 178.811 176.300 0.154 0.000 1.136 114 R CA 1.926 58.061 56.100 0.058 0.000 0.935 114 R CB -1.608 28.562 30.300 -0.218 0.000 0.842 114 R HN 0.353 nan 8.270 nan 0.000 0.430 115 G N 2.341 111.205 108.800 0.107 0.000 2.469 115 G HA2 -0.255 3.673 3.960 -0.052 0.000 0.220 115 G HA3 -0.255 3.673 3.960 -0.052 0.000 0.220 115 G C 1.556 176.708 174.900 0.421 0.000 1.136 115 G CA 0.690 45.929 45.100 0.231 0.000 0.759 115 G HN 0.312 nan 8.290 nan 0.000 0.562 116 L N -0.560 120.949 121.223 0.477 0.000 2.042 116 L HA -0.068 4.241 4.340 -0.052 0.000 0.210 116 L C 2.438 179.860 176.870 0.920 0.000 1.076 116 L CA 1.911 57.088 54.840 0.562 0.000 0.749 116 L CB -1.012 41.309 42.059 0.437 0.000 0.893 116 L HN 0.376 nan 8.230 nan 0.000 0.432 117 Y N -0.184 120.545 120.300 0.716 0.000 2.206 117 Y HA -0.156 4.362 4.550 -0.053 0.000 0.292 117 Y C 1.521 177.796 175.900 0.625 0.000 1.123 117 Y CA 0.930 59.317 58.100 0.478 0.000 1.142 117 Y CB -0.711 37.648 38.460 -0.167 0.000 1.006 117 Y HN 0.174 nan 8.280 nan 0.000 0.518 118 Y N 0.719 121.144 120.300 0.208 0.000 2.976 118 Y HA 0.201 4.720 4.550 -0.051 0.000 0.389 118 Y C 1.736 177.645 175.900 0.016 0.000 1.072 118 Y CA -0.354 57.761 58.100 0.025 0.000 1.809 118 Y CB -0.491 38.130 38.460 0.269 0.000 1.736 118 Y HN 0.403 nan 8.280 nan 0.000 0.471 119 G N -0.041 108.797 108.800 0.064 0.000 2.271 119 G HA2 -0.450 3.478 3.960 -0.052 0.000 0.277 119 G HA3 -0.450 3.478 3.960 -0.052 0.000 0.277 119 G C 1.330 176.078 174.900 -0.253 0.000 1.004 119 G CA 1.065 45.992 45.100 -0.289 0.000 0.679 119 G HN 0.556 nan 8.290 nan 0.000 0.540 120 S N -0.423 115.312 115.700 0.059 0.000 2.428 120 S HA -0.279 4.160 4.470 -0.052 0.000 0.240 120 S C 1.861 176.490 174.600 0.047 0.000 1.036 120 S CA 2.223 60.492 58.200 0.116 0.000 1.009 120 S CB -0.467 62.853 63.200 0.200 0.000 0.803 120 S HN 1.054 nan 8.310 nan 0.000 0.486 121 Y N 1.002 121.201 120.300 -0.167 0.000 2.206 121 Y HA 0.334 4.854 4.550 -0.051 0.000 0.292 121 Y C 0.914 176.636 175.900 -0.297 0.000 1.123 121 Y CA -0.194 57.609 58.100 -0.494 0.000 1.142 121 Y CB -0.756 36.892 38.460 -1.352 0.000 1.006 121 Y HN -0.112 nan 8.280 nan 0.000 0.518 122 K N 1.503 121.292 120.400 -1.018 0.000 2.443 122 K HA 0.100 4.389 4.320 -0.052 0.000 0.268 122 K C 0.504 176.960 176.600 -0.240 0.000 0.971 122 K CA 0.217 56.130 56.287 -0.624 0.000 0.902 122 K CB -0.042 32.028 32.500 -0.718 0.000 0.950 122 K HN 0.498 nan 8.250 nan 0.000 0.525 123 A N 2.485 125.210 122.820 -0.158 0.000 2.586 123 A HA 0.027 4.315 4.320 -0.052 0.000 0.231 123 A C -1.704 175.835 177.584 -0.075 0.000 1.055 123 A CA -0.336 51.648 52.037 -0.089 0.000 0.756 123 A CB -0.201 18.739 19.000 -0.101 0.000 0.988 123 A HN 0.578 nan 8.150 nan 0.000 0.509 124 P HA 0.288 nan 4.420 nan 0.000 0.263 124 P C -0.168 177.159 177.300 0.046 0.000 1.821 124 P CA -0.146 62.951 63.100 -0.006 0.000 1.186 124 P CB 0.229 31.920 31.700 -0.015 0.000 1.623 125 R N -0.104 120.441 120.500 0.074 0.000 2.466 125 R HA 0.154 4.462 4.340 -0.052 0.000 0.279 125 R C 1.260 177.708 176.300 0.246 0.000 0.976 125 R CA 0.032 56.223 56.100 0.150 0.000 1.081 125 R CB 0.014 30.407 30.300 0.156 0.000 1.215 125 R HN 0.097 nan 8.270 nan 0.000 0.546 126 E N 0.990 121.331 120.200 0.235 0.000 2.070 126 E HA -0.219 4.100 4.350 -0.052 0.000 0.197 126 E C 1.507 178.356 176.600 0.414 0.000 1.004 126 E CA 1.243 57.866 56.400 0.372 0.000 0.805 126 E CB -0.040 29.886 29.700 0.377 0.000 0.744 126 E HN 0.162 nan 8.360 nan 0.000 0.451 127 I N 1.116 121.864 120.570 0.296 0.000 2.142 127 I HA -0.275 3.864 4.170 -0.052 0.000 0.240 127 I C 2.700 178.994 176.117 0.296 0.000 1.078 127 I CA 2.063 63.522 61.300 0.264 0.000 1.343 127 I CB -1.798 36.313 38.000 0.184 0.000 1.046 127 I HN 0.338 nan 8.210 nan 0.000 0.405 128 T N -0.473 114.262 114.554 0.302 0.000 2.635 128 T HA -0.307 4.012 4.350 -0.052 0.000 0.267 128 T C 1.976 176.956 174.700 0.466 0.000 1.040 128 T CA 1.662 63.971 62.100 0.348 0.000 1.156 128 T CB -1.021 68.011 68.868 0.273 0.000 0.863 128 T HN 0.557 nan 8.240 nan 0.000 0.430 129 W N 1.694 123.148 121.300 0.257 0.000 2.317 129 W HA -0.190 4.441 4.660 -0.049 0.000 0.318 129 W C 1.868 178.499 176.519 0.187 0.000 1.227 129 W CA 1.167 58.659 57.345 0.245 0.000 1.269 129 W CB -0.328 29.280 29.460 0.246 0.000 1.155 129 W HN 0.227 nan 8.180 nan 0.000 0.484 130 I N 0.886 121.618 120.570 0.269 0.000 2.142 130 I HA -0.277 3.862 4.170 -0.052 0.000 0.240 130 I C 2.595 178.712 176.117 -0.001 0.000 1.078 130 I CA 1.115 62.453 61.300 0.064 0.000 1.343 130 I CB -1.875 36.225 38.000 0.166 0.000 1.046 130 I HN -0.133 nan 8.210 nan 0.000 0.405 131 V N 1.550 121.530 119.914 0.110 0.000 2.313 131 V HA -0.317 3.771 4.120 -0.052 0.000 0.253 131 V C 2.643 178.719 176.094 -0.030 0.000 1.070 131 V CA 2.285 64.640 62.300 0.091 0.000 1.057 131 V CB -1.505 30.451 31.823 0.221 0.000 0.653 131 V HN 0.577 nan 8.190 nan 0.000 0.450 132 G N -0.948 107.830 108.800 -0.037 0.000 2.552 132 G HA2 -0.310 3.618 3.960 -0.052 0.000 0.216 132 G HA3 -0.310 3.618 3.960 -0.052 0.000 0.216 132 G C 1.478 176.188 174.900 -0.317 0.000 1.240 132 G CA 1.361 46.306 45.100 -0.258 0.000 0.796 132 G HN 0.296 nan 8.290 nan 0.000 0.568 133 M N 0.219 119.556 119.600 -0.438 0.000 2.147 133 M HA -0.156 4.293 4.480 -0.052 0.000 0.253 133 M C 2.782 178.982 176.300 -0.166 0.000 1.075 133 M CA 1.083 56.175 55.300 -0.346 0.000 1.085 133 M CB -1.516 30.867 32.600 -0.362 0.000 1.305 133 M HN 0.122 nan 8.290 nan 0.000 0.409 134 V N 0.595 120.419 119.914 -0.149 0.000 2.219 134 V HA -0.312 3.777 4.120 -0.052 0.000 0.248 134 V C 2.552 178.576 176.094 -0.117 0.000 1.053 134 V CA 1.819 64.050 62.300 -0.114 0.000 1.009 134 V CB -0.603 31.176 31.823 -0.073 0.000 0.636 134 V HN 0.362 nan 8.190 nan 0.000 0.445 135 I N -0.779 119.715 120.570 -0.126 0.000 2.113 135 I HA -0.364 3.775 4.170 -0.052 0.000 0.242 135 I C 2.385 178.435 176.117 -0.111 0.000 1.057 135 I CA 2.676 63.897 61.300 -0.133 0.000 1.314 135 I CB -1.061 36.809 38.000 -0.217 0.000 1.022 135 I HN 0.474 nan 8.210 nan 0.000 0.408 136 Y N 1.690 121.811 120.300 -0.298 0.000 1.993 136 Y HA -0.296 4.227 4.550 -0.046 0.000 0.267 136 Y C 2.631 178.370 175.900 -0.269 0.000 1.155 136 Y CA 1.720 59.620 58.100 -0.332 0.000 1.105 136 Y CB -0.958 37.274 38.460 -0.380 0.000 0.960 136 Y HN 0.018 nan 8.280 nan 0.000 0.486 137 L N -0.461 120.558 121.223 -0.339 0.000 1.991 137 L HA -0.360 3.949 4.340 -0.052 0.000 0.221 137 L C 2.705 179.378 176.870 -0.329 0.000 1.079 137 L CA 1.950 56.511 54.840 -0.464 0.000 0.778 137 L CB -1.056 40.806 42.059 -0.327 0.000 0.893 137 L HN 0.404 nan 8.230 nan 0.000 0.437 138 L N -1.031 120.070 121.223 -0.203 0.000 1.997 138 L HA -0.325 3.983 4.340 -0.052 0.000 0.216 138 L C 2.690 179.480 176.870 -0.133 0.000 1.074 138 L CA 2.020 56.781 54.840 -0.133 0.000 0.763 138 L CB -0.593 41.412 42.059 -0.090 0.000 0.890 138 L HN 0.390 nan 8.230 nan 0.000 0.434 139 M N -1.289 118.224 119.600 -0.145 0.000 2.115 139 M HA -0.311 4.137 4.480 -0.052 0.000 0.258 139 M C 2.422 178.686 176.300 -0.059 0.000 1.071 139 M CA 1.932 57.158 55.300 -0.124 0.000 1.100 139 M CB -0.426 32.104 32.600 -0.116 0.000 1.292 139 M HN 0.197 nan 8.290 nan 0.000 0.415 140 M N -0.083 119.435 119.600 -0.137 0.000 2.147 140 M HA -0.250 4.198 4.480 -0.052 0.000 0.253 140 M C 2.296 178.517 176.300 -0.132 0.000 1.075 140 M CA 2.215 57.424 55.300 -0.151 0.000 1.085 140 M CB -1.526 30.725 32.600 -0.582 0.000 1.305 140 M HN 0.587 nan 8.290 nan 0.000 0.409 141 G N -0.424 108.299 108.800 -0.129 0.000 2.480 141 G HA2 -0.236 3.693 3.960 -0.052 0.000 0.216 141 G HA3 -0.236 3.693 3.960 -0.052 0.000 0.216 141 G C 1.341 176.264 174.900 0.038 0.000 1.200 141 G CA 1.676 46.784 45.100 0.013 0.000 0.782 141 G HN 0.433 nan 8.290 nan 0.000 0.554 142 T N 1.773 116.327 114.554 0.001 0.000 2.680 142 T HA -0.153 4.166 4.350 -0.052 0.000 0.268 142 T C 2.657 177.417 174.700 0.100 0.000 1.033 142 T CA 1.893 64.022 62.100 0.048 0.000 1.152 142 T CB -0.480 68.364 68.868 -0.040 0.000 0.859 142 T HN 0.468 nan 8.240 nan 0.000 0.452 143 A N 1.875 124.708 122.820 0.023 0.000 1.821 143 A HA 0.005 4.293 4.320 -0.052 0.000 0.215 143 A C 1.941 179.483 177.584 -0.070 0.000 1.216 143 A CA 1.820 53.843 52.037 -0.024 0.000 0.615 143 A CB -1.330 17.593 19.000 -0.130 0.000 0.862 143 A HN 0.484 nan 8.150 nan 0.000 0.450 144 F N 0.088 119.979 119.950 -0.098 0.000 2.032 144 F HA -0.322 4.196 4.527 -0.015 0.000 0.297 144 F C 2.260 177.881 175.800 -0.298 0.000 1.125 144 F CA 2.755 60.671 58.000 -0.141 0.000 1.202 144 F CB -0.615 38.350 39.000 -0.057 0.000 0.958 144 F HN 0.274 nan 8.300 nan 0.000 0.491 145 M N 0.881 119.695 119.600 -1.310 0.000 2.116 145 M HA -0.231 4.217 4.480 -0.052 0.000 0.255 145 M C 2.281 177.948 176.300 -1.055 0.000 1.075 145 M CA 2.270 56.606 55.300 -1.607 0.000 1.087 145 M CB -1.547 30.672 32.600 -0.636 0.000 1.340 145 M HN 0.510 nan 8.290 nan 0.000 0.402 146 G N -1.833 106.470 108.800 -0.828 0.000 2.394 146 G HA2 -0.285 3.643 3.960 -0.052 0.000 0.214 146 G HA3 -0.285 3.643 3.960 -0.052 0.000 0.214 146 G C 1.191 175.645 174.900 -0.743 0.000 1.176 146 G CA 0.512 44.728 45.100 -1.473 0.000 0.786 146 G HN 0.569 nan 8.290 nan 0.000 0.533 147 Y N 1.636 121.594 120.300 -0.570 0.000 2.538 147 Y HA -0.095 4.399 4.550 -0.094 0.000 0.287 147 Y C 2.348 178.017 175.900 -0.384 0.000 1.157 147 Y CA 0.813 58.686 58.100 -0.379 0.000 1.338 147 Y CB 0.064 38.361 38.460 -0.272 0.000 0.970 147 Y HN 0.052 nan 8.280 nan 0.000 0.564 148 V N -0.883 118.700 119.914 -0.551 0.000 2.951 148 V HA -0.194 3.894 4.120 -0.052 0.000 0.255 148 V C 2.064 178.035 176.094 -0.205 0.000 1.088 148 V CA 0.819 62.841 62.300 -0.464 0.000 1.109 148 V CB -0.539 30.978 31.823 -0.509 0.000 0.724 148 V HN 0.259 nan 8.190 nan 0.000 0.471 149 L N 1.108 122.222 121.223 -0.181 0.000 2.129 149 L HA -0.116 4.192 4.340 -0.052 0.000 0.212 149 L C 0.447 177.405 176.870 0.146 0.000 1.087 149 L CA 2.163 57.034 54.840 0.051 0.000 0.757 149 L CB -1.920 40.037 42.059 -0.170 0.000 0.896 149 L HN 0.365 nan 8.230 nan 0.000 0.434 150 P HA -0.284 nan 4.420 nan 0.000 0.218 150 P C 0.473 177.755 177.300 -0.029 0.000 1.149 150 P CA 1.117 64.139 63.100 -0.128 0.000 0.817 150 P CB -0.049 31.397 31.700 -0.422 0.000 0.785 151 W N -0.198 120.951 121.300 -0.252 0.000 4.148 151 W HA -0.111 4.539 4.660 -0.017 0.000 0.370 151 W C -0.471 175.892 176.519 -0.261 0.000 1.423 151 W CA 0.250 57.497 57.345 -0.163 0.000 0.769 151 W CB -1.618 27.811 29.460 -0.051 0.000 2.559 151 W HN -0.020 nan 8.180 nan 0.000 1.292 152 G N 1.467 109.984 108.800 -0.472 0.000 2.367 152 G HA2 0.320 4.248 3.960 -0.052 0.000 0.314 152 G HA3 0.320 4.248 3.960 -0.052 0.000 0.314 152 G C 0.702 175.427 174.900 -0.291 0.000 1.130 152 G CA -0.036 44.801 45.100 -0.439 0.000 0.864 152 G HN 0.112 nan 8.290 nan 0.000 0.486 153 Q N 0.832 120.554 119.800 -0.129 0.000 2.094 153 Q HA -0.270 4.038 4.340 -0.052 0.000 0.217 153 Q C 2.659 178.730 176.000 0.118 0.000 1.046 153 Q CA 1.833 57.655 55.803 0.032 0.000 0.911 153 Q CB -0.308 28.524 28.738 0.158 0.000 1.038 153 Q HN 0.617 nan 8.270 nan 0.000 0.422 154 M N -0.373 119.271 119.600 0.074 0.000 2.108 154 M HA -0.121 4.328 4.480 -0.052 0.000 0.261 154 M C 2.294 178.600 176.300 0.010 0.000 1.066 154 M CA 1.342 56.708 55.300 0.110 0.000 1.107 154 M CB -1.425 31.269 32.600 0.156 0.000 1.356 154 M HN 0.136 nan 8.290 nan 0.000 0.406 155 S N 0.254 115.798 115.700 -0.259 0.000 2.363 155 S HA -0.174 4.264 4.470 -0.052 0.000 0.218 155 S C 1.740 176.147 174.600 -0.321 0.000 1.035 155 S CA 1.518 59.445 58.200 -0.455 0.000 1.043 155 S CB -0.485 62.345 63.200 -0.616 0.000 0.986 155 S HN 0.389 nan 8.310 nan 0.000 0.423 156 F N 0.763 120.346 119.950 -0.613 0.000 2.005 156 F HA -0.218 4.295 4.527 -0.025 0.000 0.297 156 F C 1.945 177.499 175.800 -0.409 0.000 1.175 156 F CA 2.319 59.860 58.000 -0.765 0.000 1.192 156 F CB -1.146 37.223 39.000 -1.051 0.000 0.953 156 F HN 0.393 nan 8.300 nan 0.000 0.504 157 W N 0.813 122.117 121.300 0.008 0.000 2.276 157 W HA -0.245 4.338 4.660 -0.128 0.000 0.307 157 W C 2.552 178.956 176.519 -0.192 0.000 1.240 157 W CA 1.114 58.415 57.345 -0.073 0.000 1.249 157 W CB -1.249 28.265 29.460 0.090 0.000 1.140 157 W HN 0.344 nan 8.180 nan 0.000 0.519 158 G N 0.011 108.855 108.800 0.073 0.000 2.666 158 G HA2 -0.233 3.695 3.960 -0.052 0.000 0.215 158 G HA3 -0.233 3.695 3.960 -0.052 0.000 0.215 158 G C 1.620 176.508 174.900 -0.020 0.000 1.294 158 G CA 2.089 47.215 45.100 0.045 0.000 0.811 158 G HN 0.369 nan 8.290 nan 0.000 0.594 159 A N -0.078 122.761 122.820 0.033 0.000 1.916 159 A HA -0.288 4.001 4.320 -0.052 0.000 0.224 159 A C 2.485 180.024 177.584 -0.075 0.000 1.366 159 A CA 3.420 55.550 52.037 0.155 0.000 0.692 159 A CB -1.596 17.432 19.000 0.048 0.000 0.841 159 A HN 0.428 nan 8.150 nan 0.000 0.480 160 T N -0.937 113.414 114.554 -0.339 0.000 2.529 160 T HA -0.212 4.107 4.350 -0.052 0.000 0.261 160 T C 1.840 176.462 174.700 -0.129 0.000 1.110 160 T CA 2.150 64.072 62.100 -0.297 0.000 1.192 160 T CB -1.077 67.557 68.868 -0.390 0.000 0.864 160 T HN 0.557 nan 8.240 nan 0.000 0.407 161 V N 0.995 120.877 119.914 -0.052 0.000 2.546 161 V HA -0.171 3.917 4.120 -0.052 0.000 0.254 161 V C 2.131 178.125 176.094 -0.166 0.000 1.076 161 V CA 1.583 63.840 62.300 -0.072 0.000 1.087 161 V CB -0.635 31.160 31.823 -0.047 0.000 0.674 161 V HN 0.509 nan 8.190 nan 0.000 0.470 162 I N 0.434 120.863 120.570 -0.235 0.000 2.162 162 I HA -0.183 3.955 4.170 -0.052 0.000 0.238 162 I C 2.807 178.664 176.117 -0.433 0.000 1.076 162 I CA 1.948 63.002 61.300 -0.411 0.000 1.353 162 I CB -0.674 36.840 38.000 -0.810 0.000 1.063 162 I HN 0.544 nan 8.210 nan 0.000 0.408 163 T N -0.710 113.628 114.554 -0.359 0.000 2.699 163 T HA -0.193 4.126 4.350 -0.052 0.000 0.268 163 T C 2.074 176.573 174.700 -0.334 0.000 1.036 163 T CA 1.424 63.263 62.100 -0.435 0.000 1.147 163 T CB -1.494 67.239 68.868 -0.225 0.000 0.862 163 T HN 0.454 nan 8.240 nan 0.000 0.446 164 G N 2.246 110.926 108.800 -0.200 0.000 2.597 164 G HA2 -0.268 3.660 3.960 -0.052 0.000 0.222 164 G HA3 -0.268 3.660 3.960 -0.052 0.000 0.222 164 G C 1.527 176.359 174.900 -0.113 0.000 1.135 164 G CA 1.402 46.428 45.100 -0.123 0.000 0.759 164 G HN 0.586 nan 8.290 nan 0.000 0.595 165 L N -0.462 120.667 121.223 -0.157 0.000 2.010 165 L HA -0.183 4.125 4.340 -0.052 0.000 0.219 165 L C 2.837 179.720 176.870 0.021 0.000 1.077 165 L CA 1.794 56.562 54.840 -0.120 0.000 0.773 165 L CB -0.666 41.326 42.059 -0.110 0.000 0.892 165 L HN 0.293 nan 8.230 nan 0.000 0.436 166 F N -0.440 119.399 119.950 -0.185 0.000 2.126 166 F HA -0.190 4.316 4.527 -0.034 0.000 0.299 166 F C 2.560 178.300 175.800 -0.100 0.000 1.096 166 F CA 0.372 58.288 58.000 -0.139 0.000 1.255 166 F CB -0.964 38.011 39.000 -0.042 0.000 0.997 166 F HN 0.213 nan 8.300 nan 0.000 0.479 167 G N 0.157 109.031 108.800 0.125 0.000 2.549 167 G HA2 -0.266 3.662 3.960 -0.052 0.000 0.222 167 G HA3 -0.266 3.662 3.960 -0.052 0.000 0.222 167 G C 1.721 176.652 174.900 0.052 0.000 1.100 167 G CA 0.847 45.992 45.100 0.074 0.000 0.739 167 G HN 0.451 nan 8.290 nan 0.000 0.577 168 A N 1.074 123.885 122.820 -0.016 0.000 1.902 168 A HA 0.114 4.403 4.320 -0.052 0.000 0.217 168 A C 1.614 179.304 177.584 0.177 0.000 1.181 168 A CA 0.817 52.830 52.037 -0.040 0.000 0.623 168 A CB -0.499 18.298 19.000 -0.339 0.000 0.818 168 A HN 0.771 nan 8.150 nan 0.000 0.443 169 I N -0.120 120.521 120.570 0.118 0.000 2.742 169 I HA 0.174 4.313 4.170 -0.052 0.000 0.287 169 I C -2.315 173.957 176.117 0.258 0.000 1.186 169 I CA -1.714 59.844 61.300 0.430 0.000 1.417 169 I CB -0.014 38.097 38.000 0.185 0.000 1.377 169 I HN 0.062 nan 8.210 nan 0.000 0.556 170 P HA 0.036 nan 4.420 nan 0.000 0.268 170 P C 0.986 178.314 177.300 0.047 0.000 1.208 170 P CA 1.004 64.144 63.100 0.066 0.000 0.777 170 P CB 0.982 32.661 31.700 -0.035 0.000 0.875 171 G N 3.144 111.964 108.800 0.034 0.000 5.218 171 G HA2 -0.427 3.502 3.960 -0.052 0.000 0.342 171 G HA3 -0.427 3.502 3.960 -0.052 0.000 0.342 171 G C 1.001 175.926 174.900 0.041 0.000 1.391 171 G CA 0.683 45.800 45.100 0.027 0.000 1.096 171 G HN 0.567 nan 8.290 nan 0.000 0.831 172 I N 3.169 123.766 120.570 0.045 0.000 2.614 172 I HA 0.247 4.386 4.170 -0.052 0.000 0.258 172 I C 2.522 178.691 176.117 0.086 0.000 1.189 172 I CA 2.106 63.439 61.300 0.056 0.000 1.462 172 I CB -0.716 37.312 38.000 0.046 0.000 1.092 172 I HN 0.601 nan 8.210 nan 0.000 0.442 173 G N 1.340 110.197 108.800 0.094 0.000 2.877 173 G HA2 -0.243 3.686 3.960 -0.052 0.000 0.211 173 G HA3 -0.243 3.686 3.960 -0.052 0.000 0.211 173 G C -0.412 174.559 174.900 0.118 0.000 1.367 173 G CA 1.251 46.420 45.100 0.114 0.000 0.807 173 G HN 0.299 nan 8.290 nan 0.000 0.666 174 P HA -0.213 nan 4.420 nan 0.000 0.222 174 P C 2.364 179.723 177.300 0.097 0.000 1.155 174 P CA 2.555 65.702 63.100 0.079 0.000 0.890 174 P CB -0.268 31.467 31.700 0.058 0.000 0.790 175 S N -0.286 115.473 115.700 0.099 0.000 2.365 175 S HA -0.232 4.207 4.470 -0.052 0.000 0.221 175 S C 1.946 176.658 174.600 0.188 0.000 1.037 175 S CA 1.458 59.725 58.200 0.111 0.000 1.060 175 S CB -1.632 61.616 63.200 0.081 0.000 0.974 175 S HN 0.126 nan 8.310 nan 0.000 0.427 176 I N 1.535 122.236 120.570 0.218 0.000 2.151 176 I HA -0.327 3.812 4.170 -0.052 0.000 0.243 176 I C 2.855 179.168 176.117 0.326 0.000 1.080 176 I CA 1.695 63.207 61.300 0.353 0.000 1.339 176 I CB -0.324 37.869 38.000 0.323 0.000 1.039 176 I HN 0.401 nan 8.210 nan 0.000 0.409 177 Q N 0.388 120.317 119.800 0.215 0.000 1.900 177 Q HA -0.336 3.973 4.340 -0.052 0.000 0.219 177 Q C 2.285 178.330 176.000 0.074 0.000 1.012 177 Q CA 2.626 58.492 55.803 0.106 0.000 0.876 177 Q CB -0.474 28.304 28.738 0.066 0.000 0.952 177 Q HN 0.699 nan 8.270 nan 0.000 0.419 178 A N 0.352 123.225 122.820 0.089 0.000 1.971 178 A HA -0.256 4.032 4.320 -0.052 0.000 0.222 178 A C 1.645 179.310 177.584 0.135 0.000 1.182 178 A CA 1.985 54.070 52.037 0.080 0.000 0.649 178 A CB -1.353 17.699 19.000 0.086 0.000 0.818 178 A HN 0.776 nan 8.150 nan 0.000 0.458 179 W N 0.400 121.709 121.300 0.015 0.000 2.329 179 W HA -0.171 4.464 4.660 -0.041 0.000 0.324 179 W C 1.879 178.396 176.519 -0.003 0.000 1.222 179 W CA 1.673 59.025 57.345 0.013 0.000 1.270 179 W CB -1.151 28.331 29.460 0.037 0.000 1.167 179 W HN 0.277 nan 8.180 nan 0.000 0.467 180 L N 0.245 121.289 121.223 -0.299 0.000 1.965 180 L HA -0.364 3.945 4.340 -0.052 0.000 0.226 180 L C 2.776 179.414 176.870 -0.387 0.000 1.083 180 L CA 2.488 57.019 54.840 -0.516 0.000 0.790 180 L CB -1.289 40.593 42.059 -0.295 0.000 0.898 180 L HN 0.092 nan 8.230 nan 0.000 0.439 181 L N -0.856 120.229 121.223 -0.230 0.000 1.997 181 L HA -0.221 4.088 4.340 -0.052 0.000 0.216 181 L C 1.605 178.361 176.870 -0.190 0.000 1.074 181 L CA 1.507 56.223 54.840 -0.207 0.000 0.763 181 L CB -0.940 41.053 42.059 -0.109 0.000 0.890 181 L HN 0.654 nan 8.230 nan 0.000 0.434 182 G N -1.744 106.997 108.800 -0.099 0.000 2.148 182 G HA2 0.149 4.078 3.960 -0.052 0.000 0.157 182 G HA3 0.149 4.078 3.960 -0.052 0.000 0.157 182 G C 0.240 175.132 174.900 -0.015 0.000 1.012 182 G CA -0.175 44.895 45.100 -0.050 0.000 0.677 182 G HN 0.912 nan 8.290 nan 0.000 0.506 183 G N -0.699 108.100 108.800 -0.002 0.000 2.441 183 G HA2 0.657 4.585 3.960 -0.052 0.000 0.222 183 G HA3 0.657 4.585 3.960 -0.052 0.000 0.222 183 G C -0.970 173.936 174.900 0.010 0.000 1.254 183 G CA 0.696 45.801 45.100 0.007 0.000 0.959 183 G HN 0.507 nan 8.290 nan 0.000 0.474 184 P HA 0.257 nan 4.420 nan 0.000 0.210 184 P C 0.674 177.983 177.300 0.016 0.000 1.185 184 P CA 2.642 65.752 63.100 0.017 0.000 0.924 184 P CB 0.119 31.830 31.700 0.019 0.000 0.786 185 A N -1.596 121.234 122.820 0.016 0.000 2.610 185 A HA 0.492 4.780 4.320 -0.052 0.000 0.291 185 A C -0.629 176.967 177.584 0.019 0.000 1.086 185 A CA -0.521 51.524 52.037 0.012 0.000 0.677 185 A CB 1.076 20.100 19.000 0.041 0.000 1.278 185 A HN 0.027 nan 8.150 nan 0.000 0.414 186 V N 0.033 119.934 119.914 -0.022 0.000 3.067 186 V HA 0.203 4.291 4.120 -0.052 0.000 0.285 186 V C -0.027 176.199 176.094 0.219 0.000 1.308 186 V CA 1.672 63.970 62.300 -0.003 0.000 1.374 186 V CB -1.477 30.157 31.823 -0.316 0.000 0.808 186 V HN 1.135 nan 8.190 nan 0.000 0.448 187 D N 1.936 122.464 120.400 0.214 0.000 2.769 187 D HA 0.204 4.813 4.640 -0.052 0.000 0.309 187 D C 0.687 176.953 176.300 -0.056 0.000 1.315 187 D CA -0.134 53.981 54.000 0.191 0.000 0.780 187 D CB 0.938 41.770 40.800 0.054 0.000 1.312 187 D HN 0.462 nan 8.370 nan 0.000 0.437 188 N N 0.076 118.595 118.700 -0.301 0.000 2.217 188 N HA -0.385 4.323 4.740 -0.052 0.000 0.195 188 N C 1.639 176.969 175.510 -0.300 0.000 0.950 188 N CA 3.214 55.981 53.050 -0.472 0.000 0.910 188 N CB -0.135 38.047 38.487 -0.508 0.000 1.073 188 N HN 0.388 nan 8.380 nan 0.000 0.663 189 A N -0.878 121.813 122.820 -0.214 0.000 1.852 189 A HA -0.294 3.995 4.320 -0.052 0.000 0.217 189 A C 2.397 179.852 177.584 -0.214 0.000 1.215 189 A CA 2.966 54.898 52.037 -0.175 0.000 0.641 189 A CB -1.827 17.092 19.000 -0.134 0.000 0.838 189 A HN 0.555 nan 8.150 nan 0.000 0.450 190 T N -0.659 113.747 114.554 -0.247 0.000 2.680 190 T HA -0.229 4.090 4.350 -0.052 0.000 0.268 190 T C 1.766 176.159 174.700 -0.511 0.000 1.033 190 T CA 1.904 63.714 62.100 -0.484 0.000 1.152 190 T CB -0.589 68.049 68.868 -0.383 0.000 0.859 190 T HN 0.411 nan 8.240 nan 0.000 0.452 191 L N 1.005 122.162 121.223 -0.109 0.000 1.944 191 L HA -0.182 4.126 4.340 -0.052 0.000 0.218 191 L C 2.636 179.553 176.870 0.080 0.000 1.075 191 L CA 2.264 57.172 54.840 0.114 0.000 0.767 191 L CB -0.743 41.280 42.059 -0.061 0.000 0.890 191 L HN 0.303 nan 8.230 nan 0.000 0.434 192 N N -0.073 118.615 118.700 -0.019 0.000 2.091 192 N HA -0.250 4.458 4.740 -0.052 0.000 0.193 192 N C 1.858 177.437 175.510 0.115 0.000 1.021 192 N CA 1.741 54.830 53.050 0.067 0.000 0.862 192 N CB -0.185 38.284 38.487 -0.030 0.000 1.018 192 N HN 0.358 nan 8.380 nan 0.000 0.429 193 R N 0.339 120.811 120.500 -0.048 0.000 2.103 193 R HA -0.155 4.153 4.340 -0.052 0.000 0.234 193 R C 2.244 178.591 176.300 0.079 0.000 1.132 193 R CA 1.028 57.082 56.100 -0.076 0.000 0.925 193 R CB -1.598 28.521 30.300 -0.302 0.000 0.842 193 R HN 0.256 nan 8.270 nan 0.000 0.430 194 F N 0.955 120.909 119.950 0.005 0.000 2.027 194 F HA -0.226 4.269 4.527 -0.052 0.000 0.297 194 F C 2.498 178.345 175.800 0.078 0.000 1.129 194 F CA 0.771 58.758 58.000 -0.023 0.000 1.195 194 F CB -1.616 37.330 39.000 -0.091 0.000 0.960 194 F HN -0.023 nan 8.300 nan 0.000 0.485 195 F N 1.226 121.323 119.950 0.245 0.000 2.048 195 F HA -0.412 4.081 4.527 -0.057 0.000 0.296 195 F C 2.851 178.787 175.800 0.226 0.000 1.109 195 F CA 2.900 61.037 58.000 0.228 0.000 1.214 195 F CB -0.670 38.473 39.000 0.239 0.000 0.963 195 F HN 0.075 nan 8.300 nan 0.000 0.491 196 S N 0.242 115.947 115.700 0.010 0.000 2.383 196 S HA -0.176 4.262 4.470 -0.052 0.000 0.227 196 S C 1.919 176.466 174.600 -0.088 0.000 1.026 196 S CA 1.257 59.344 58.200 -0.188 0.000 0.981 196 S CB -0.889 62.279 63.200 -0.053 0.000 0.818 196 S HN 0.331 nan 8.310 nan 0.000 0.472 197 L N 1.886 123.124 121.223 0.026 0.000 2.012 197 L HA -0.056 4.253 4.340 -0.052 0.000 0.210 197 L C 2.624 179.525 176.870 0.052 0.000 1.073 197 L CA 2.171 57.041 54.840 0.051 0.000 0.748 197 L CB -1.603 40.522 42.059 0.109 0.000 0.891 197 L HN 0.536 nan 8.230 nan 0.000 0.431 198 H N -2.067 116.976 119.070 -0.046 0.000 2.387 198 H HA -0.259 4.269 4.556 -0.046 0.000 0.299 198 H C 2.057 177.362 175.328 -0.038 0.000 1.090 198 H CA 1.778 57.780 56.048 -0.075 0.000 1.332 198 H CB -0.250 29.447 29.762 -0.110 0.000 1.386 198 H HN 0.477 nan 8.280 nan 0.000 0.516 199 Y N -0.698 119.412 120.300 -0.317 0.000 2.571 199 Y HA -0.062 4.456 4.550 -0.054 0.000 0.294 199 Y C 1.979 177.825 175.900 -0.090 0.000 1.141 199 Y CA 0.176 58.094 58.100 -0.302 0.000 1.308 199 Y CB 0.278 38.471 38.460 -0.445 0.000 1.002 199 Y HN 0.301 nan 8.280 nan 0.000 0.551 200 L N -0.895 120.411 121.223 0.139 0.000 2.262 200 L HA -0.043 4.266 4.340 -0.052 0.000 0.197 200 L C 1.918 178.888 176.870 0.166 0.000 1.073 200 L CA 0.949 55.876 54.840 0.146 0.000 0.800 200 L CB -0.895 41.167 42.059 0.006 0.000 0.987 200 L HN 0.263 nan 8.230 nan 0.000 0.470 201 L N 1.522 122.779 121.223 0.057 0.000 2.034 201 L HA -0.200 4.108 4.340 -0.052 0.000 0.217 201 L C -0.442 176.435 176.870 0.012 0.000 1.077 201 L CA 2.680 57.536 54.840 0.027 0.000 0.769 201 L CB -2.022 40.036 42.059 -0.003 0.000 0.890 201 L HN 0.212 nan 8.230 nan 0.000 0.435 202 P HA -0.272 nan 4.420 nan 0.000 0.213 202 P C 1.847 179.099 177.300 -0.080 0.000 1.176 202 P CA 1.879 64.896 63.100 -0.137 0.000 0.919 202 P CB -0.290 31.244 31.700 -0.277 0.000 0.791 203 F N -0.124 119.786 119.950 -0.066 0.000 2.063 203 F HA -0.229 4.265 4.527 -0.054 0.000 0.298 203 F C 2.769 178.548 175.800 -0.035 0.000 1.105 203 F CA 1.454 59.432 58.000 -0.038 0.000 1.215 203 F CB -1.788 37.204 39.000 -0.015 0.000 0.972 203 F HN -0.238 nan 8.300 nan 0.000 0.483 204 V N 0.067 120.087 119.914 0.177 0.000 2.252 204 V HA -0.344 3.745 4.120 -0.052 0.000 0.249 204 V C 2.304 178.416 176.094 0.030 0.000 1.056 204 V CA 2.153 64.501 62.300 0.080 0.000 1.022 204 V CB -0.612 31.241 31.823 0.049 0.000 0.641 204 V HN 0.253 nan 8.190 nan 0.000 0.445 205 I N -0.182 120.389 120.570 0.001 0.000 2.087 205 I HA -0.366 3.773 4.170 -0.052 0.000 0.240 205 I C 2.538 178.640 176.117 -0.025 0.000 1.054 205 I CA 2.094 63.379 61.300 -0.026 0.000 1.311 205 I CB -0.647 37.329 38.000 -0.040 0.000 1.024 205 I HN 0.323 nan 8.210 nan 0.000 0.402 206 A N 0.274 123.069 122.820 -0.041 0.000 1.870 206 A HA -0.367 3.921 4.320 -0.052 0.000 0.219 206 A C 2.490 180.064 177.584 -0.017 0.000 1.224 206 A CA 3.001 55.011 52.037 -0.046 0.000 0.650 206 A CB -1.554 17.394 19.000 -0.087 0.000 0.836 206 A HN 0.546 nan 8.150 nan 0.000 0.454 207 A N -0.743 122.079 122.820 0.003 0.000 1.873 207 A HA -0.179 4.110 4.320 -0.052 0.000 0.218 207 A C 2.275 179.859 177.584 -0.001 0.000 1.193 207 A CA 1.815 53.851 52.037 -0.003 0.000 0.629 207 A CB -0.821 18.187 19.000 0.014 0.000 0.826 207 A HN 0.707 nan 8.150 nan 0.000 0.447 208 L N -0.628 120.600 121.223 0.008 0.000 2.043 208 L HA -0.193 4.115 4.340 -0.052 0.000 0.212 208 L C 2.521 179.413 176.870 0.037 0.000 1.075 208 L CA 1.770 56.621 54.840 0.018 0.000 0.752 208 L CB -0.267 41.790 42.059 -0.003 0.000 0.891 208 L HN 0.290 nan 8.230 nan 0.000 0.432 209 V N -0.123 119.799 119.914 0.014 0.000 2.295 209 V HA -0.331 3.758 4.120 -0.052 0.000 0.246 209 V C 2.745 178.903 176.094 0.107 0.000 1.049 209 V CA 1.826 64.157 62.300 0.052 0.000 1.024 209 V CB -0.436 31.396 31.823 0.014 0.000 0.648 209 V HN 0.630 nan 8.190 nan 0.000 0.447 210 A N -0.253 122.581 122.820 0.023 0.000 1.903 210 A HA -0.267 4.022 4.320 -0.052 0.000 0.219 210 A C 2.083 179.651 177.584 -0.026 0.000 1.191 210 A CA 2.458 54.467 52.037 -0.045 0.000 0.638 210 A CB -0.692 18.239 19.000 -0.115 0.000 0.823 210 A HN 0.463 nan 8.150 nan 0.000 0.451 211 I N -0.851 119.741 120.570 0.037 0.000 2.127 211 I HA -0.223 3.916 4.170 -0.052 0.000 0.241 211 I C 2.207 178.465 176.117 0.234 0.000 1.075 211 I CA 1.954 63.341 61.300 0.144 0.000 1.334 211 I CB -1.143 36.955 38.000 0.163 0.000 1.040 211 I HN 0.608 nan 8.210 nan 0.000 0.405 212 H N 0.705 119.849 119.070 0.124 0.000 2.272 212 H HA -0.247 4.278 4.556 -0.051 0.000 0.289 212 H C 2.234 177.688 175.328 0.211 0.000 1.100 212 H CA 2.553 58.719 56.048 0.197 0.000 1.209 212 H CB -0.481 29.397 29.762 0.194 0.000 1.348 212 H HN 0.316 nan 8.280 nan 0.000 0.481 213 I N -1.164 119.515 120.570 0.183 0.000 2.053 213 I HA -0.410 3.729 4.170 -0.052 0.000 0.236 213 I C 2.260 178.033 176.117 -0.573 0.000 1.038 213 I CA 1.665 62.752 61.300 -0.355 0.000 1.304 213 I CB -0.592 37.272 38.000 -0.226 0.000 1.023 213 I HN 0.416 nan 8.210 nan 0.000 0.395 214 W N 1.355 122.434 121.300 -0.369 0.000 2.277 214 W HA -0.375 4.253 4.660 -0.053 0.000 0.327 214 W C 2.720 179.113 176.519 -0.210 0.000 1.284 214 W CA 2.328 59.516 57.345 -0.262 0.000 1.277 214 W CB -1.114 28.276 29.460 -0.117 0.000 1.141 214 W HN 0.275 nan 8.180 nan 0.000 0.482 215 A N 0.334 123.228 122.820 0.123 0.000 1.842 215 A HA -0.250 4.038 4.320 -0.052 0.000 0.217 215 A C 2.002 179.617 177.584 0.051 0.000 1.206 215 A CA 2.714 54.792 52.037 0.068 0.000 0.630 215 A CB -1.895 17.191 19.000 0.144 0.000 0.839 215 A HN 0.487 nan 8.150 nan 0.000 0.447 216 F N -0.155 119.840 119.950 0.075 0.000 2.192 216 F HA -0.244 4.251 4.527 -0.053 0.000 0.301 216 F C 1.900 177.790 175.800 0.149 0.000 1.079 216 F CA 2.065 60.115 58.000 0.082 0.000 1.303 216 F CB -1.309 37.711 39.000 0.032 0.000 1.024 216 F HN 0.347 nan 8.300 nan 0.000 0.494 217 H N 1.022 119.778 119.070 -0.525 0.000 2.270 217 H HA -0.086 4.438 4.556 -0.052 0.000 0.299 217 H C 2.578 177.866 175.328 -0.068 0.000 1.077 217 H CA 2.784 58.682 56.048 -0.249 0.000 1.294 217 H CB -0.958 28.602 29.762 -0.337 0.000 1.371 217 H HN 0.441 nan 8.280 nan 0.000 0.491 218 T N -2.338 112.220 114.554 0.008 0.000 2.969 218 T HA -0.172 4.147 4.350 -0.052 0.000 0.271 218 T C 1.625 176.317 174.700 -0.013 0.000 1.127 218 T CA 1.655 63.723 62.100 -0.054 0.000 1.102 218 T CB -0.575 68.196 68.868 -0.161 0.000 0.855 218 T HN 0.549 nan 8.240 nan 0.000 0.536 219 T N -3.224 111.358 114.554 0.045 0.000 3.043 219 T HA 0.527 4.846 4.350 -0.052 0.000 0.272 219 T C 1.123 175.876 174.700 0.087 0.000 0.990 219 T CA 0.208 62.345 62.100 0.062 0.000 0.897 219 T CB 0.101 69.015 68.868 0.077 0.000 1.111 219 T HN 1.184 nan 8.240 nan 0.000 0.529 220 G N 2.667 111.534 108.800 0.112 0.000 2.734 220 G HA2 -0.183 3.745 3.960 -0.052 0.000 0.277 220 G HA3 -0.183 3.745 3.960 -0.052 0.000 0.277 220 G C -0.143 174.866 174.900 0.181 0.000 1.099 220 G CA -0.279 44.886 45.100 0.108 0.000 1.218 220 G HN 0.645 nan 8.290 nan 0.000 0.554 221 N N -1.026 117.844 118.700 0.284 0.000 3.365 221 N HA -0.242 4.467 4.740 -0.052 0.000 0.341 221 N C 0.658 176.445 175.510 0.463 0.000 1.159 221 N CA 1.625 54.843 53.050 0.279 0.000 1.720 221 N CB 0.061 38.723 38.487 0.292 0.000 0.837 221 N HN 0.846 nan 8.380 nan 0.000 0.633 222 N N -0.073 119.279 118.700 1.087 0.000 2.482 222 N HA 0.258 4.966 4.740 -0.052 0.000 0.279 222 N C -0.846 174.809 175.510 0.242 0.000 1.182 222 N CA -0.538 53.054 53.050 0.903 0.000 0.969 222 N CB 0.636 39.626 38.487 0.838 0.000 1.201 222 N HN 0.571 nan 8.380 nan 0.000 0.523 223 N N 1.283 120.015 118.700 0.053 0.000 2.425 223 N HA 0.346 5.055 4.740 -0.052 0.000 0.268 223 N C -2.118 173.226 175.510 -0.277 0.000 0.991 223 N CA -1.943 50.955 53.050 -0.253 0.000 0.931 223 N CB 1.422 39.835 38.487 -0.123 0.000 1.130 223 N HN 0.378 nan 8.380 nan 0.000 0.493 224 P HA -0.064 nan 4.420 nan 0.000 0.234 224 P C 0.407 177.405 177.300 -0.503 0.000 1.162 224 P CA 0.905 63.695 63.100 -0.516 0.000 0.759 224 P CB 0.420 31.877 31.700 -0.405 0.000 0.813 225 T N -1.916 112.479 114.554 -0.265 0.000 2.987 225 T HA 0.367 4.686 4.350 -0.052 0.000 0.248 225 T C 0.928 175.622 174.700 -0.010 0.000 0.997 225 T CA 0.839 62.893 62.100 -0.076 0.000 1.013 225 T CB -0.300 68.601 68.868 0.055 0.000 1.077 225 T HN 0.211 nan 8.240 nan 0.000 0.483 226 G N 1.477 110.238 108.800 -0.066 0.000 2.742 226 G HA2 -0.053 3.875 3.960 -0.052 0.000 0.257 226 G HA3 -0.053 3.875 3.960 -0.052 0.000 0.257 226 G C -0.228 174.656 174.900 -0.027 0.000 1.143 226 G CA -0.077 44.996 45.100 -0.045 0.000 1.064 226 G HN 1.419 nan 8.290 nan 0.000 0.529 227 V N -2.785 117.109 119.914 -0.033 0.000 2.610 227 V HA 0.619 4.708 4.120 -0.052 0.000 0.298 227 V C 1.011 177.086 176.094 -0.032 0.000 1.067 227 V CA -0.176 62.103 62.300 -0.036 0.000 0.894 227 V CB 1.459 33.258 31.823 -0.040 0.000 1.015 227 V HN 0.392 nan 8.190 nan 0.000 0.432 228 E N 2.216 122.399 120.200 -0.029 0.000 2.352 228 E HA -0.107 4.212 4.350 -0.052 0.000 0.203 228 E C 0.619 177.208 176.600 -0.020 0.000 1.024 228 E CA 1.223 57.611 56.400 -0.021 0.000 0.842 228 E CB -0.082 29.604 29.700 -0.024 0.000 0.753 228 E HN 0.842 nan 8.360 nan 0.000 0.508 229 V N 1.739 121.637 119.914 -0.027 0.000 3.825 229 V HA -0.351 3.737 4.120 -0.052 0.000 0.521 229 V C 0.819 176.901 176.094 -0.020 0.000 0.682 229 V CA 1.181 63.465 62.300 -0.027 0.000 2.054 229 V CB -0.289 31.515 31.823 -0.031 0.000 2.452 229 V HN 0.566 nan 8.190 nan 0.000 0.514 230 R N 2.089 122.577 120.500 -0.020 0.000 3.928 230 R HA -0.303 4.006 4.340 -0.052 0.000 0.319 230 R C 1.536 177.828 176.300 -0.013 0.000 0.783 230 R CA 2.085 58.176 56.100 -0.015 0.000 1.798 230 R CB -1.340 28.954 30.300 -0.009 0.000 2.049 230 R HN 0.753 nan 8.270 nan 0.000 0.509 231 R N 2.145 122.637 120.500 -0.013 0.000 2.377 231 R HA -0.003 4.305 4.340 -0.052 0.000 0.207 231 R C 0.939 177.229 176.300 -0.016 0.000 1.075 231 R CA 1.541 57.634 56.100 -0.012 0.000 1.035 231 R CB -0.735 29.558 30.300 -0.011 0.000 0.857 231 R HN 0.541 nan 8.270 nan 0.000 0.475 232 T N -0.748 113.795 114.554 -0.019 0.000 2.896 232 T HA -0.125 4.193 4.350 -0.052 0.000 0.270 232 T C 0.981 175.669 174.700 -0.019 0.000 1.104 232 T CA 1.231 63.318 62.100 -0.022 0.000 1.115 232 T CB -0.038 68.815 68.868 -0.024 0.000 0.843 232 T HN 0.300 nan 8.240 nan 0.000 0.523 233 S N -0.790 114.900 115.700 -0.016 0.000 4.152 233 S HA -0.226 4.212 4.470 -0.052 0.000 0.266 233 S C 0.973 175.566 174.600 -0.012 0.000 1.862 233 S CA 0.551 58.743 58.200 -0.014 0.000 4.242 233 S CB -0.929 62.262 63.200 -0.015 0.000 0.206 233 S HN 0.404 nan 8.310 nan 0.000 0.454 234 K N 1.058 121.450 120.400 -0.013 0.000 5.860 234 K HA -0.245 4.044 4.320 -0.052 0.000 0.293 234 K C 0.476 177.071 176.600 -0.008 0.000 0.645 234 K CA 2.685 58.965 56.287 -0.012 0.000 0.970 234 K CB -1.702 30.791 32.500 -0.012 0.000 0.789 234 K HN 2.018 nan 8.250 nan 0.000 0.882 235 A N 0.797 123.613 122.820 -0.006 0.000 2.366 235 A HA 0.378 4.667 4.320 -0.052 0.000 0.288 235 A C -1.614 175.970 177.584 -0.000 0.000 1.012 235 A CA 0.653 52.688 52.037 -0.003 0.000 0.554 235 A CB -0.149 18.849 19.000 -0.003 0.000 1.527 235 A HN 1.207 nan 8.150 nan 0.000 0.659 236 D N -1.719 118.683 120.400 0.003 0.000 10.484 236 D HA 0.115 4.724 4.640 -0.052 0.000 0.318 236 D C 0.539 176.845 176.300 0.010 0.000 3.002 236 D CA 0.907 54.911 54.000 0.007 0.000 2.679 236 D CB -0.831 39.971 40.800 0.003 0.000 1.149 236 D HN 2.339 nan 8.370 nan 0.000 0.891 237 A N 2.729 125.559 122.820 0.017 0.000 2.272 237 A HA 0.182 4.471 4.320 -0.052 0.000 0.213 237 A C 0.801 178.398 177.584 0.023 0.000 1.183 237 A CA 2.325 54.377 52.037 0.025 0.000 0.719 237 A CB -0.986 18.035 19.000 0.036 0.000 0.771 237 A HN 2.057 nan 8.150 nan 0.000 0.484 238 E N -2.359 117.849 120.200 0.013 0.000 7.781 238 E HA -0.240 4.078 4.350 -0.052 0.000 0.466 238 E C 0.147 176.754 176.600 0.011 0.000 0.562 238 E CA 0.744 57.148 56.400 0.007 0.000 0.986 238 E CB -1.252 28.450 29.700 0.003 0.000 0.975 238 E HN 0.550 nan 8.360 nan 0.000 0.333 239 K N 1.292 121.693 120.400 0.002 0.000 1.980 239 K HA -0.138 4.151 4.320 -0.052 0.000 0.223 239 K C 1.117 177.719 176.600 0.002 0.000 1.052 239 K CA 2.191 58.478 56.287 -0.001 0.000 0.974 239 K CB -0.814 31.678 32.500 -0.013 0.000 0.734 239 K HN 0.987 nan 8.250 nan 0.000 0.447 240 D N 0.208 120.606 120.400 -0.004 0.000 2.372 240 D HA 0.066 4.675 4.640 -0.052 0.000 0.243 240 D C -0.632 175.683 176.300 0.025 0.000 1.121 240 D CA 0.941 54.943 54.000 0.003 0.000 0.898 240 D CB 0.515 41.309 40.800 -0.011 0.000 1.202 240 D HN 0.443 nan 8.370 nan 0.000 0.428 241 T N 0.059 114.647 114.554 0.058 0.000 4.517 241 T HA -0.054 4.264 4.350 -0.052 0.000 0.336 241 T C -0.383 174.402 174.700 0.141 0.000 0.790 241 T CA -0.629 61.518 62.100 0.078 0.000 2.037 241 T CB -2.348 66.547 68.868 0.044 0.000 1.896 241 T HN 0.285 nan 8.240 nan 0.000 1.014 242 L N 0.715 122.070 121.223 0.221 0.000 2.482 242 L HA 0.643 4.952 4.340 -0.052 0.000 0.242 242 L C -1.688 175.482 176.870 0.500 0.000 1.210 242 L CA -1.894 53.150 54.840 0.339 0.000 0.819 242 L CB -0.328 41.850 42.059 0.199 0.000 1.203 242 L HN 0.220 nan 8.230 nan 0.000 0.495 243 P HA 0.044 nan 4.420 nan 0.000 0.287 243 P C 0.652 178.346 177.300 0.656 0.000 1.294 243 P CA -0.267 63.157 63.100 0.540 0.000 0.776 243 P CB 0.534 32.466 31.700 0.387 0.000 0.889 244 F N 3.722 123.903 119.950 0.385 0.000 2.053 244 F HA -0.193 4.302 4.527 -0.053 0.000 0.295 244 F C 1.055 177.118 175.800 0.440 0.000 1.102 244 F CA 1.820 60.060 58.000 0.399 0.000 1.225 244 F CB -0.245 38.933 39.000 0.296 0.000 0.961 244 F HN 0.337 nan 8.300 nan 0.000 0.495 245 W N 3.138 124.676 121.300 0.397 0.000 2.322 245 W HA 0.262 4.890 4.660 -0.053 0.000 0.307 245 W C -2.262 174.198 176.519 -0.099 0.000 1.220 245 W CA -2.506 54.935 57.345 0.160 0.000 1.210 245 W CB 0.736 30.285 29.460 0.148 0.000 1.223 245 W HN -0.007 nan 8.180 nan 0.000 0.511 246 P HA 0.028 nan 4.420 nan 0.000 0.282 246 P C 0.543 177.626 177.300 -0.362 0.000 1.373 246 P CA 0.232 62.862 63.100 -0.784 0.000 1.001 246 P CB 0.260 31.235 31.700 -1.210 0.000 1.489 247 Y N -0.099 120.215 120.300 0.024 0.000 2.034 247 Y HA -0.232 4.286 4.550 -0.053 0.000 0.269 247 Y C 2.264 178.057 175.900 -0.178 0.000 1.125 247 Y CA 1.334 59.383 58.100 -0.086 0.000 1.097 247 Y CB -1.450 36.976 38.460 -0.057 0.000 0.978 247 Y HN -0.189 nan 8.280 nan 0.000 0.480 248 F N -1.055 118.912 119.950 0.028 0.000 2.102 248 F HA -0.199 4.296 4.527 -0.053 0.000 0.298 248 F C 2.445 178.070 175.800 -0.292 0.000 1.105 248 F CA 0.954 58.843 58.000 -0.185 0.000 1.239 248 F CB -1.351 37.389 39.000 -0.433 0.000 0.991 248 F HN -0.143 nan 8.300 nan 0.000 0.474 249 V N 0.649 120.482 119.914 -0.135 0.000 2.231 249 V HA -0.332 3.757 4.120 -0.052 0.000 0.250 249 V C 2.442 178.492 176.094 -0.074 0.000 1.058 249 V CA 1.803 64.063 62.300 -0.067 0.000 1.022 249 V CB -0.482 31.379 31.823 0.062 0.000 0.640 249 V HN 0.203 nan 8.190 nan 0.000 0.445 250 I N -0.325 120.163 120.570 -0.136 0.000 2.091 250 I HA -0.316 3.822 4.170 -0.052 0.000 0.239 250 I C 2.439 178.560 176.117 0.006 0.000 1.061 250 I CA 2.218 63.456 61.300 -0.104 0.000 1.317 250 I CB -1.421 36.491 38.000 -0.148 0.000 1.031 250 I HN 0.424 nan 8.210 nan 0.000 0.401 251 K N 0.797 121.212 120.400 0.026 0.000 2.049 251 K HA -0.277 4.011 4.320 -0.052 0.000 0.219 251 K C 1.730 178.402 176.600 0.120 0.000 1.056 251 K CA 2.446 58.824 56.287 0.151 0.000 0.946 251 K CB -0.140 32.443 32.500 0.139 0.000 0.723 251 K HN 0.354 nan 8.250 nan 0.000 0.453 252 D N 0.559 120.979 120.400 0.033 0.000 2.120 252 D HA -0.222 4.387 4.640 -0.052 0.000 0.191 252 D C 2.161 178.433 176.300 -0.047 0.000 0.994 252 D CA 1.462 55.446 54.000 -0.027 0.000 0.838 252 D CB -0.624 40.181 40.800 0.009 0.000 0.976 252 D HN 0.151 nan 8.370 nan 0.000 0.447 253 L N 0.256 121.470 121.223 -0.015 0.000 2.054 253 L HA -0.262 4.046 4.340 -0.052 0.000 0.220 253 L C 2.370 179.218 176.870 -0.037 0.000 1.081 253 L CA 1.529 56.346 54.840 -0.039 0.000 0.780 253 L CB -0.669 41.375 42.059 -0.025 0.000 0.893 253 L HN 0.032 nan 8.230 nan 0.000 0.438 254 F N 0.208 120.088 119.950 -0.115 0.000 2.010 254 F HA -0.291 4.205 4.527 -0.051 0.000 0.296 254 F C 2.411 178.113 175.800 -0.163 0.000 1.146 254 F CA 1.528 59.461 58.000 -0.112 0.000 1.181 254 F CB -1.029 37.932 39.000 -0.065 0.000 0.965 254 F HN 0.045 nan 8.300 nan 0.000 0.480 255 A N 0.966 123.398 122.820 -0.647 0.000 1.915 255 A HA -0.277 4.012 4.320 -0.052 0.000 0.220 255 A C 2.340 179.612 177.584 -0.519 0.000 1.198 255 A CA 2.258 53.795 52.037 -0.834 0.000 0.647 255 A CB -1.643 16.890 19.000 -0.778 0.000 0.825 255 A HN 0.698 nan 8.150 nan 0.000 0.456 256 L N -0.574 120.452 121.223 -0.329 0.000 1.990 256 L HA -0.207 4.101 4.340 -0.052 0.000 0.213 256 L C 2.763 179.472 176.870 -0.268 0.000 1.072 256 L CA 2.439 57.142 54.840 -0.227 0.000 0.755 256 L CB -0.552 41.379 42.059 -0.215 0.000 0.889 256 L HN 0.402 nan 8.230 nan 0.000 0.432 257 A N -0.005 122.642 122.820 -0.288 0.000 1.884 257 A HA -0.258 4.030 4.320 -0.052 0.000 0.219 257 A C 2.221 179.665 177.584 -0.234 0.000 1.197 257 A CA 2.338 54.227 52.037 -0.247 0.000 0.637 257 A CB -1.161 17.742 19.000 -0.161 0.000 0.827 257 A HN 0.569 nan 8.150 nan 0.000 0.450 258 L N -0.124 120.890 121.223 -0.349 0.000 1.990 258 L HA -0.265 4.043 4.340 -0.052 0.000 0.213 258 L C 2.698 179.502 176.870 -0.110 0.000 1.072 258 L CA 2.103 56.782 54.840 -0.267 0.000 0.755 258 L CB -1.194 40.613 42.059 -0.419 0.000 0.889 258 L HN 0.455 nan 8.230 nan 0.000 0.432 259 V N -1.914 117.945 119.914 -0.091 0.000 2.255 259 V HA -0.318 3.770 4.120 -0.052 0.000 0.247 259 V C 2.512 178.683 176.094 0.128 0.000 1.051 259 V CA 1.501 63.838 62.300 0.062 0.000 1.018 259 V CB -0.946 30.952 31.823 0.126 0.000 0.641 259 V HN 0.315 nan 8.190 nan 0.000 0.445 260 L N -0.456 120.786 121.223 0.032 0.000 1.997 260 L HA -0.242 4.066 4.340 -0.052 0.000 0.216 260 L C 2.624 179.581 176.870 0.145 0.000 1.074 260 L CA 2.732 57.618 54.840 0.078 0.000 0.763 260 L CB -0.865 41.084 42.059 -0.183 0.000 0.890 260 L HN 0.450 nan 8.230 nan 0.000 0.434 261 L N -0.223 121.004 121.223 0.006 0.000 1.944 261 L HA -0.199 4.109 4.340 -0.052 0.000 0.218 261 L C 2.479 179.446 176.870 0.161 0.000 1.075 261 L CA 2.111 56.972 54.840 0.035 0.000 0.767 261 L CB -0.905 41.152 42.059 -0.003 0.000 0.890 261 L HN 0.315 nan 8.230 nan 0.000 0.434 262 G N -0.780 108.111 108.800 0.152 0.000 2.505 262 G HA2 -0.410 3.518 3.960 -0.052 0.000 0.220 262 G HA3 -0.410 3.518 3.960 -0.052 0.000 0.220 262 G C 1.398 176.445 174.900 0.245 0.000 1.145 262 G CA 1.226 46.432 45.100 0.177 0.000 0.761 262 G HN 0.540 nan 8.290 nan 0.000 0.571 263 F N 0.624 120.686 119.950 0.187 0.000 2.031 263 F HA 0.006 4.500 4.527 -0.055 0.000 0.295 263 F C 2.384 178.372 175.800 0.314 0.000 1.133 263 F CA 1.536 59.685 58.000 0.249 0.000 1.188 263 F CB -0.365 38.818 39.000 0.306 0.000 0.974 263 F HN 0.090 nan 8.300 nan 0.000 0.473 264 F N 1.073 121.071 119.950 0.079 0.000 2.192 264 F HA -0.212 4.284 4.527 -0.052 0.000 0.301 264 F C 2.551 178.249 175.800 -0.171 0.000 1.079 264 F CA 0.932 58.879 58.000 -0.089 0.000 1.303 264 F CB -1.678 37.383 39.000 0.101 0.000 1.024 264 F HN 0.154 nan 8.300 nan 0.000 0.494 265 A N 0.329 123.240 122.820 0.151 0.000 1.841 265 A HA -0.204 4.085 4.320 -0.052 0.000 0.216 265 A C 2.407 179.975 177.584 -0.027 0.000 1.199 265 A CA 2.748 54.843 52.037 0.096 0.000 0.621 265 A CB -1.353 17.748 19.000 0.169 0.000 0.835 265 A HN 0.185 nan 8.150 nan 0.000 0.445 266 V N -0.898 118.990 119.914 -0.043 0.000 2.282 266 V HA -0.267 3.821 4.120 -0.052 0.000 0.249 266 V C 2.359 178.336 176.094 -0.195 0.000 1.057 266 V CA 2.060 64.310 62.300 -0.084 0.000 1.032 266 V CB -1.584 30.197 31.823 -0.071 0.000 0.645 266 V HN 0.296 nan 8.190 nan 0.000 0.447 267 V N 0.464 120.143 119.914 -0.392 0.000 2.214 267 V HA -0.309 3.779 4.120 -0.052 0.000 0.247 267 V C 2.920 178.834 176.094 -0.300 0.000 1.051 267 V CA 2.665 64.751 62.300 -0.357 0.000 1.003 267 V CB -1.250 30.281 31.823 -0.487 0.000 0.635 267 V HN 0.594 nan 8.190 nan 0.000 0.447 268 A N -1.370 121.230 122.820 -0.367 0.000 1.884 268 A HA -0.290 3.998 4.320 -0.052 0.000 0.219 268 A C 1.949 179.139 177.584 -0.656 0.000 1.197 268 A CA 2.676 54.372 52.037 -0.568 0.000 0.637 268 A CB -0.829 17.655 19.000 -0.859 0.000 0.827 268 A HN 0.744 nan 8.150 nan 0.000 0.450 269 Y N -3.130 117.134 120.300 -0.061 0.000 2.458 269 Y HA 0.447 4.966 4.550 -0.052 0.000 0.254 269 Y C 1.290 177.151 175.900 -0.066 0.000 1.120 269 Y CA -0.014 58.047 58.100 -0.065 0.000 1.282 269 Y CB 0.491 38.925 38.460 -0.044 0.000 1.109 269 Y HN 0.125 nan 8.280 nan 0.000 0.526 270 M N 0.935 120.549 119.600 0.023 0.000 3.637 270 M HA 0.169 4.617 4.480 -0.052 0.000 0.452 270 M C -2.014 174.311 176.300 0.042 0.000 1.718 270 M CA -1.010 54.312 55.300 0.037 0.000 0.690 270 M CB 0.969 33.597 32.600 0.046 0.000 1.448 270 M HN -0.128 nan 8.290 nan 0.000 0.524 271 P HA -0.183 nan 4.420 nan 0.000 0.216 271 P C 0.009 177.451 177.300 0.236 0.000 1.154 271 P CA 1.717 64.838 63.100 0.035 0.000 0.865 271 P CB -0.048 31.448 31.700 -0.340 0.000 0.789 272 N N -2.070 116.765 118.700 0.226 0.000 2.321 272 N HA 0.033 4.742 4.740 -0.052 0.000 0.242 272 N C 1.012 176.626 175.510 0.173 0.000 1.141 272 N CA -0.422 52.779 53.050 0.251 0.000 0.864 272 N CB -0.124 38.560 38.487 0.328 0.000 1.100 272 N HN 0.071 nan 8.380 nan 0.000 0.510 273 Y N 1.283 121.579 120.300 -0.007 0.000 2.206 273 Y HA 0.102 4.625 4.550 -0.046 0.000 0.292 273 Y C 1.523 177.334 175.900 -0.149 0.000 1.123 273 Y CA 1.064 59.120 58.100 -0.073 0.000 1.142 273 Y CB -0.129 38.284 38.460 -0.077 0.000 1.006 273 Y HN 0.018 nan 8.280 nan 0.000 0.518 274 L N 0.161 121.207 121.223 -0.295 0.000 2.291 274 L HA 0.058 4.367 4.340 -0.052 0.000 0.214 274 L C 1.783 178.477 176.870 -0.295 0.000 1.120 274 L CA 0.482 55.059 54.840 -0.438 0.000 0.799 274 L CB -1.095 40.797 42.059 -0.278 0.000 0.925 274 L HN 0.248 nan 8.230 nan 0.000 0.446 275 G N -1.377 107.326 108.800 -0.162 0.000 2.611 275 G HA2 0.141 4.070 3.960 -0.052 0.000 0.273 275 G HA3 0.141 4.070 3.960 -0.052 0.000 0.273 275 G C -0.508 174.194 174.900 -0.330 0.000 1.305 275 G CA -0.343 44.714 45.100 -0.070 0.000 1.010 275 G HN 0.265 nan 8.290 nan 0.000 0.509 276 H N 0.951 120.067 119.070 0.077 0.000 2.917 276 H HA 0.171 4.713 4.556 -0.023 0.000 0.279 276 H C -1.607 173.802 175.328 0.136 0.000 1.211 276 H CA -1.244 54.854 56.048 0.083 0.000 1.534 276 H CB 1.906 31.698 29.762 0.050 0.000 1.581 276 H HN 0.286 nan 8.280 nan 0.000 0.510 277 P HA -0.368 nan 4.420 nan 0.000 0.228 277 P C 0.884 178.352 177.300 0.281 0.000 0.798 277 P CA 2.036 65.286 63.100 0.251 0.000 1.070 277 P CB 0.080 31.884 31.700 0.173 0.000 0.714 278 D N -1.315 119.215 120.400 0.218 0.000 2.220 278 D HA -0.201 4.408 4.640 -0.052 0.000 0.198 278 D C 1.380 177.777 176.300 0.162 0.000 1.001 278 D CA 1.578 55.693 54.000 0.191 0.000 0.875 278 D CB -1.421 39.474 40.800 0.160 0.000 0.921 278 D HN 0.316 nan 8.370 nan 0.000 0.454 279 N N -1.150 117.620 118.700 0.117 0.000 2.551 279 N HA -0.046 4.662 4.740 -0.052 0.000 0.199 279 N C -0.457 174.966 175.510 -0.146 0.000 1.277 279 N CA 0.244 53.253 53.050 -0.069 0.000 0.870 279 N CB -0.251 38.170 38.487 -0.110 0.000 1.028 279 N HN 0.369 nan 8.380 nan 0.000 0.452 280 Y N -1.405 118.957 120.300 0.104 0.000 2.719 280 Y HA 0.325 4.846 4.550 -0.048 0.000 0.251 280 Y C -0.328 175.827 175.900 0.426 0.000 1.159 280 Y CA -0.477 57.809 58.100 0.311 0.000 1.166 280 Y CB 1.101 39.700 38.460 0.231 0.000 1.219 280 Y HN -0.141 nan 8.280 nan 0.000 0.551 281 V N 1.692 121.899 119.914 0.489 0.000 2.629 281 V HA 0.229 4.317 4.120 -0.052 0.000 0.263 281 V C -0.717 175.583 176.094 0.344 0.000 0.959 281 V CA -0.491 62.052 62.300 0.405 0.000 0.869 281 V CB 0.760 32.724 31.823 0.235 0.000 1.060 281 V HN 0.300 nan 8.190 nan 0.000 0.474 282 Q N 3.055 123.196 119.800 0.568 0.000 3.120 282 Q HA -0.137 4.172 4.340 -0.052 0.000 0.368 282 Q C 0.752 176.822 176.000 0.117 0.000 1.306 282 Q CA 1.283 57.329 55.803 0.405 0.000 0.806 282 Q CB 0.265 29.218 28.738 0.358 0.000 1.338 282 Q HN 1.167 nan 8.270 nan 0.000 0.593 283 A N 3.020 125.832 122.820 -0.013 0.000 2.520 283 A HA 0.160 4.449 4.320 -0.052 0.000 0.245 283 A C 0.115 177.530 177.584 -0.282 0.000 1.072 283 A CA 0.313 52.169 52.037 -0.302 0.000 0.761 283 A CB 0.092 18.631 19.000 -0.768 0.000 1.004 283 A HN 0.702 nan 8.150 nan 0.000 0.499 284 N N 2.425 120.898 118.700 -0.377 0.000 2.531 284 N HA 0.490 5.199 4.740 -0.052 0.000 0.268 284 N C -2.558 172.664 175.510 -0.480 0.000 1.023 284 N CA -1.761 51.127 53.050 -0.271 0.000 0.896 284 N CB 1.895 40.361 38.487 -0.035 0.000 1.233 284 N HN 0.136 nan 8.380 nan 0.000 0.512 285 P HA 0.046 nan 4.420 nan 0.000 0.242 285 P C 0.220 177.490 177.300 -0.050 0.000 1.197 285 P CA 0.529 63.264 63.100 -0.609 0.000 0.765 285 P CB 0.235 31.682 31.700 -0.422 0.000 0.936 286 L N -2.964 118.291 121.223 0.053 0.000 2.556 286 L HA 0.222 4.530 4.340 -0.052 0.000 0.226 286 L C 0.869 177.873 176.870 0.223 0.000 1.089 286 L CA 0.603 55.527 54.840 0.141 0.000 0.864 286 L CB -0.265 41.832 42.059 0.063 0.000 1.067 286 L HN -0.195 nan 8.230 nan 0.000 0.477 287 S N -0.851 115.041 115.700 0.320 0.000 2.543 287 S HA 0.491 4.930 4.470 -0.052 0.000 0.271 287 S C -0.493 174.247 174.600 0.234 0.000 1.148 287 S CA -0.644 57.683 58.200 0.211 0.000 0.914 287 S CB 1.078 64.331 63.200 0.088 0.000 1.096 287 S HN 0.190 nan 8.310 nan 0.000 0.471 288 T N 3.505 117.892 114.554 -0.277 0.000 2.727 288 T HA 0.505 4.824 4.350 -0.052 0.000 0.298 288 T C -2.667 171.839 174.700 -0.324 0.000 0.942 288 T CA -1.493 60.131 62.100 -0.794 0.000 0.997 288 T CB 0.240 68.420 68.868 -1.146 0.000 0.917 288 T HN 0.371 nan 8.240 nan 0.000 0.487 289 P HA 0.253 nan 4.420 nan 0.000 0.263 289 P C -0.108 177.129 177.300 -0.104 0.000 1.175 289 P CA -0.144 62.926 63.100 -0.050 0.000 0.761 289 P CB 0.216 31.945 31.700 0.048 0.000 0.794 290 A N 2.881 125.630 122.820 -0.118 0.000 2.351 290 A HA 0.249 4.538 4.320 -0.052 0.000 0.257 290 A C -0.016 177.524 177.584 -0.073 0.000 1.087 290 A CA -0.189 51.746 52.037 -0.171 0.000 0.798 290 A CB -0.624 18.201 19.000 -0.293 0.000 1.033 290 A HN 0.838 nan 8.150 nan 0.000 0.488 291 H N -0.100 118.933 119.070 -0.061 0.000 2.929 291 H HA -0.160 4.361 4.556 -0.059 0.000 0.341 291 H C 0.230 175.537 175.328 -0.036 0.000 1.258 291 H CA 0.120 56.138 56.048 -0.049 0.000 1.185 291 H CB -1.501 28.245 29.762 -0.026 0.000 1.553 291 H HN 0.622 nan 8.280 nan 0.000 0.438 292 I N -0.985 119.616 120.570 0.053 0.000 2.185 292 I HA -0.052 4.086 4.170 -0.052 0.000 0.235 292 I C 1.500 177.582 176.117 -0.059 0.000 1.069 292 I CA 0.646 61.952 61.300 0.009 0.000 1.354 292 I CB -0.208 37.788 38.000 -0.007 0.000 1.093 292 I HN 0.227 nan 8.210 nan 0.000 0.411 293 V N 3.301 123.162 119.914 -0.089 0.000 5.791 293 V HA -0.203 3.886 4.120 -0.052 0.000 0.241 293 V C -1.141 174.747 176.094 -0.342 0.000 0.700 293 V CA -0.034 62.119 62.300 -0.245 0.000 0.848 293 V CB -2.000 29.665 31.823 -0.264 0.000 0.947 293 V HN 0.422 nan 8.190 nan 0.000 0.423 294 P HA -0.239 nan 4.420 nan 0.000 0.249 294 P C 0.689 177.680 177.300 -0.515 0.000 0.857 294 P CA 1.857 64.816 63.100 -0.234 0.000 1.100 294 P CB 0.458 32.109 31.700 -0.081 0.000 0.761 295 E N -2.209 117.644 120.200 -0.578 0.000 3.010 295 E HA 0.275 4.594 4.350 -0.052 0.000 0.199 295 E C 1.263 177.676 176.600 -0.311 0.000 0.698 295 E CA -0.139 55.907 56.400 -0.591 0.000 1.360 295 E CB -0.547 28.747 29.700 -0.676 0.000 1.860 295 E HN 0.587 nan 8.360 nan 0.000 0.376 296 W N -0.002 121.175 121.300 -0.206 0.000 3.283 296 W HA 0.068 4.703 4.660 -0.041 0.000 0.235 296 W C 0.665 177.221 176.519 0.061 0.000 1.123 296 W CA 0.022 57.293 57.345 -0.124 0.000 1.534 296 W CB -0.437 28.924 29.460 -0.166 0.000 0.839 296 W HN 0.414 nan 8.180 nan 0.000 0.734 297 Y N -0.033 119.219 120.300 -1.747 0.000 2.572 297 Y HA 0.233 4.747 4.550 -0.061 0.000 0.340 297 Y C 0.340 176.225 175.900 -0.026 0.000 1.224 297 Y CA -1.500 55.832 58.100 -1.281 0.000 1.260 297 Y CB -2.290 35.278 38.460 -1.488 0.000 1.078 297 Y HN -0.134 nan 8.280 nan 0.000 0.491 298 F N -1.456 118.332 119.950 -0.269 0.000 2.883 298 F HA 0.215 4.700 4.527 -0.071 0.000 0.351 298 F C 1.736 177.450 175.800 -0.144 0.000 0.970 298 F CA -1.234 56.693 58.000 -0.122 0.000 1.130 298 F CB -0.581 38.349 39.000 -0.117 0.000 1.015 298 F HN 0.010 nan 8.300 nan 0.000 0.585 299 L N 2.040 123.265 121.223 0.002 0.000 2.040 299 L HA -0.287 4.021 4.340 -0.052 0.000 0.228 299 L C -0.144 176.615 176.870 -0.185 0.000 1.092 299 L CA 2.451 57.216 54.840 -0.126 0.000 0.805 299 L CB -2.145 39.828 42.059 -0.144 0.000 0.905 299 L HN 0.058 nan 8.230 nan 0.000 0.443 300 P HA -0.260 nan 4.420 nan 0.000 0.214 300 P C 1.713 178.799 177.300 -0.357 0.000 1.169 300 P CA 2.003 64.739 63.100 -0.607 0.000 0.908 300 P CB -0.244 30.736 31.700 -1.201 0.000 0.791 301 F N -1.347 118.516 119.950 -0.145 0.000 2.069 301 F HA -0.224 4.262 4.527 -0.069 0.000 0.298 301 F C 2.961 178.764 175.800 0.005 0.000 1.113 301 F CA 1.161 59.103 58.000 -0.097 0.000 1.214 301 F CB -1.631 37.332 39.000 -0.061 0.000 0.978 301 F HN -0.107 nan 8.300 nan 0.000 0.474 302 Y N 1.266 121.620 120.300 0.091 0.000 1.997 302 Y HA -0.447 4.051 4.550 -0.087 0.000 0.265 302 Y C 2.490 178.375 175.900 -0.024 0.000 1.193 302 Y CA 1.686 59.801 58.100 0.024 0.000 1.106 302 Y CB -0.748 37.702 38.460 -0.017 0.000 0.940 302 Y HN 0.035 nan 8.280 nan 0.000 0.494 303 A N 1.223 124.289 122.820 0.409 0.000 1.859 303 A HA -0.277 4.012 4.320 -0.052 0.000 0.217 303 A C 2.215 179.831 177.584 0.055 0.000 1.198 303 A CA 2.690 54.848 52.037 0.201 0.000 0.629 303 A CB -1.659 17.346 19.000 0.009 0.000 0.830 303 A HN 0.765 nan 8.150 nan 0.000 0.446 304 I N -1.993 118.584 120.570 0.012 0.000 2.502 304 I HA -0.199 3.940 4.170 -0.052 0.000 0.258 304 I C 2.175 178.388 176.117 0.160 0.000 1.172 304 I CA 1.488 62.805 61.300 0.029 0.000 1.430 304 I CB -0.643 37.351 38.000 -0.009 0.000 1.086 304 I HN 0.339 nan 8.210 nan 0.000 0.440 305 L N 3.170 124.444 121.223 0.085 0.000 2.062 305 L HA -0.056 4.253 4.340 -0.052 0.000 0.202 305 L C 2.672 179.557 176.870 0.024 0.000 1.079 305 L CA 1.842 56.714 54.840 0.053 0.000 0.755 305 L CB -1.040 40.967 42.059 -0.087 0.000 0.913 305 L HN 0.335 nan 8.230 nan 0.000 0.445 306 R N 0.341 120.787 120.500 -0.091 0.000 2.397 306 R HA 0.049 4.358 4.340 -0.052 0.000 0.213 306 R C 1.685 177.955 176.300 -0.051 0.000 1.102 306 R CA 1.101 57.150 56.100 -0.084 0.000 1.040 306 R CB -1.200 29.084 30.300 -0.026 0.000 0.844 306 R HN 0.384 nan 8.270 nan 0.000 0.478 307 A N 1.017 123.801 122.820 -0.059 0.000 1.855 307 A HA 0.088 4.377 4.320 -0.052 0.000 0.215 307 A C 0.269 177.620 177.584 -0.388 0.000 1.191 307 A CA 0.547 52.420 52.037 -0.273 0.000 0.613 307 A CB -0.310 18.397 19.000 -0.488 0.000 0.829 307 A HN 0.282 nan 8.150 nan 0.000 0.442 308 F N -2.285 117.567 119.950 -0.163 0.000 2.399 308 F HA 0.618 5.109 4.527 -0.060 0.000 0.334 308 F C 0.846 176.493 175.800 -0.256 0.000 1.097 308 F CA -0.126 57.711 58.000 -0.272 0.000 1.076 308 F CB 1.656 40.367 39.000 -0.481 0.000 1.162 308 F HN 0.171 nan 8.300 nan 0.000 0.495 309 A N 1.549 124.312 122.820 -0.096 0.000 2.590 309 A HA 0.573 4.862 4.320 -0.052 0.000 0.153 309 A C 0.404 177.914 177.584 -0.123 0.000 1.705 309 A CA 0.176 52.149 52.037 -0.107 0.000 1.228 309 A CB -0.587 18.355 19.000 -0.097 0.000 1.463 309 A HN 1.863 nan 8.150 nan 0.000 0.425 310 A N -1.173 121.557 122.820 -0.150 0.000 4.068 310 A HA 0.405 4.694 4.320 -0.052 0.000 0.225 310 A C 0.155 177.643 177.584 -0.159 0.000 1.193 310 A CA 1.317 53.271 52.037 -0.139 0.000 0.802 310 A CB -2.122 16.819 19.000 -0.100 0.000 0.954 310 A HN 1.856 nan 8.150 nan 0.000 0.451 311 D N -0.784 119.477 120.400 -0.232 0.000 2.673 311 D HA 0.749 5.358 4.640 -0.052 0.000 0.278 311 D C 0.454 176.486 176.300 -0.448 0.000 1.393 311 D CA 0.947 54.774 54.000 -0.289 0.000 0.805 311 D CB 0.280 40.900 40.800 -0.300 0.000 1.110 311 D HN 2.392 nan 8.370 nan 0.000 0.476 312 V N -2.763 116.923 119.914 -0.381 0.000 3.019 312 V HA 0.380 4.469 4.120 -0.052 0.000 0.248 312 V C 1.103 177.109 176.094 -0.147 0.000 1.660 312 V CA -0.070 61.971 62.300 -0.431 0.000 0.874 312 V CB -0.780 30.279 31.823 -1.274 0.000 1.161 312 V HN 1.025 nan 8.190 nan 0.000 0.491 313 W N 2.678 123.975 121.300 -0.006 0.000 2.287 313 W HA 0.116 4.744 4.660 -0.052 0.000 0.282 313 W C 1.291 177.859 176.519 0.081 0.000 1.184 313 W CA 2.498 59.874 57.345 0.052 0.000 1.164 313 W CB -1.287 28.226 29.460 0.089 0.000 1.133 313 W HN 2.429 nan 8.180 nan 0.000 0.563 314 V N 0.353 120.332 119.914 0.108 0.000 3.189 314 V HA 0.613 4.701 4.120 -0.052 0.000 0.366 314 V C 0.840 176.986 176.094 0.087 0.000 1.313 314 V CA 0.658 63.041 62.300 0.140 0.000 1.302 314 V CB -0.395 31.570 31.823 0.238 0.000 1.260 314 V HN 1.042 nan 8.190 nan 0.000 0.484 315 V N 0.516 120.448 119.914 0.031 0.000 2.276 315 V HA 0.540 4.628 4.120 -0.052 0.000 0.249 315 V C 1.554 177.669 176.094 0.036 0.000 1.160 315 V CA 0.870 63.168 62.300 -0.003 0.000 1.042 315 V CB -0.053 31.733 31.823 -0.062 0.000 1.224 315 V HN 0.772 nan 8.190 nan 0.000 0.496 316 I N 3.293 123.924 120.570 0.103 0.000 2.614 316 I HA 0.030 4.169 4.170 -0.052 0.000 0.258 316 I C 2.490 178.686 176.117 0.131 0.000 1.189 316 I CA 2.433 63.832 61.300 0.165 0.000 1.462 316 I CB -1.234 36.943 38.000 0.295 0.000 1.092 316 I HN 1.020 nan 8.210 nan 0.000 0.442 317 L N -0.029 121.122 121.223 -0.121 0.000 2.217 317 L HA 0.321 4.629 4.340 -0.052 0.000 0.211 317 L C 2.820 179.630 176.870 -0.101 0.000 1.107 317 L CA 2.195 56.812 54.840 -0.372 0.000 0.783 317 L CB -1.884 39.648 42.059 -0.878 0.000 0.919 317 L HN 0.885 nan 8.230 nan 0.000 0.442 318 V N -0.636 119.240 119.914 -0.064 0.000 3.041 318 V HA 0.053 4.141 4.120 -0.052 0.000 0.260 318 V C 2.016 178.118 176.094 0.014 0.000 1.105 318 V CA 2.805 65.088 62.300 -0.027 0.000 1.125 318 V CB -1.226 30.580 31.823 -0.028 0.000 0.730 318 V HN 0.672 nan 8.190 nan 0.000 0.479 319 D N -0.561 119.866 120.400 0.045 0.000 2.338 319 D HA 0.185 4.794 4.640 -0.052 0.000 0.224 319 D C 2.173 178.522 176.300 0.082 0.000 0.967 319 D CA 0.861 54.899 54.000 0.064 0.000 0.896 319 D CB -0.474 40.374 40.800 0.081 0.000 1.028 319 D HN 0.606 nan 8.370 nan 0.000 0.493 320 G N -0.138 108.744 108.800 0.135 0.000 2.615 320 G HA2 0.202 4.131 3.960 -0.052 0.000 0.213 320 G HA3 0.202 4.131 3.960 -0.052 0.000 0.213 320 G C 1.634 176.592 174.900 0.096 0.000 1.135 320 G CA 1.362 46.555 45.100 0.155 0.000 0.772 320 G HN 1.144 nan 8.290 nan 0.000 0.542 321 L N -0.815 120.448 121.223 0.066 0.000 2.610 321 L HA 0.557 4.865 4.340 -0.052 0.000 0.232 321 L C 2.818 179.701 176.870 0.021 0.000 1.149 321 L CA 2.175 57.036 54.840 0.035 0.000 0.872 321 L CB -1.935 40.136 42.059 0.021 0.000 0.992 321 L HN 0.397 nan 8.230 nan 0.000 0.447 322 T N -1.299 113.271 114.554 0.027 0.000 2.684 322 T HA 0.080 4.398 4.350 -0.052 0.000 0.267 322 T C 1.521 176.223 174.700 0.003 0.000 1.036 322 T CA 2.016 64.126 62.100 0.017 0.000 1.148 322 T CB -0.931 67.950 68.868 0.022 0.000 0.863 322 T HN 1.459 nan 8.240 nan 0.000 0.436 323 F N 2.666 122.614 119.950 -0.003 0.000 2.613 323 F HA 0.541 5.037 4.527 -0.052 0.000 0.341 323 F C 1.302 177.086 175.800 -0.027 0.000 1.288 323 F CA -1.064 56.921 58.000 -0.025 0.000 1.103 323 F CB -0.989 37.984 39.000 -0.046 0.000 1.423 323 F HN 0.411 nan 8.300 nan 0.000 0.651 324 G N 1.009 109.797 108.800 -0.020 0.000 2.991 324 G HA2 0.469 4.397 3.960 -0.052 0.000 0.262 324 G HA3 0.469 4.397 3.960 -0.052 0.000 0.262 324 G C 0.409 175.291 174.900 -0.029 0.000 0.765 324 G CA 1.005 46.094 45.100 -0.018 0.000 2.051 324 G HN 2.329 nan 8.290 nan 0.000 0.602 325 I N -2.346 118.197 120.570 -0.044 0.000 2.613 325 I HA 0.588 4.727 4.170 -0.052 0.000 0.312 325 I C -0.058 175.997 176.117 -0.103 0.000 1.276 325 I CA 0.179 61.443 61.300 -0.060 0.000 0.701 325 I CB -0.537 37.425 38.000 -0.064 0.000 2.842 325 I HN 1.071 nan 8.210 nan 0.000 0.821 326 V N -1.240 118.617 119.914 -0.095 0.000 3.161 326 V HA 0.751 4.839 4.120 -0.052 0.000 0.263 326 V C -0.965 175.117 176.094 -0.020 0.000 0.838 326 V CA 0.805 63.011 62.300 -0.156 0.000 1.057 326 V CB 0.262 31.902 31.823 -0.304 0.000 0.943 326 V HN 1.595 nan 8.190 nan 0.000 0.500 327 D N 1.453 121.882 120.400 0.048 0.000 2.531 327 D HA 1.044 5.652 4.640 -0.052 0.000 0.244 327 D C 0.792 177.165 176.300 0.121 0.000 1.090 327 D CA 0.584 54.645 54.000 0.100 0.000 0.989 327 D CB 2.077 42.904 40.800 0.045 0.000 1.433 327 D HN 2.458 nan 8.370 nan 0.000 0.492 328 A N 0.529 123.400 122.820 0.085 0.000 5.213 328 A HA -0.391 3.898 4.320 -0.052 0.000 0.347 328 A C 2.192 179.833 177.584 0.094 0.000 1.682 328 A CA 3.468 55.526 52.037 0.035 0.000 0.701 328 A CB -1.972 17.026 19.000 -0.003 0.000 1.474 328 A HN 1.653 nan 8.150 nan 0.000 0.405 329 K N -1.548 118.883 120.400 0.051 0.000 2.067 329 K HA -0.302 3.987 4.320 -0.052 0.000 0.226 329 K C 1.793 178.410 176.600 0.028 0.000 1.046 329 K CA 3.157 59.457 56.287 0.022 0.000 0.967 329 K CB -0.572 31.940 32.500 0.020 0.000 0.749 329 K HN 0.745 nan 8.250 nan 0.000 0.456 330 F N 0.574 120.509 119.950 -0.025 0.000 2.026 330 F HA -0.199 4.305 4.527 -0.039 0.000 0.296 330 F C 2.292 178.072 175.800 -0.033 0.000 1.133 330 F CA 2.009 59.976 58.000 -0.056 0.000 1.188 330 F CB -0.956 38.013 39.000 -0.050 0.000 0.968 330 F HN 0.241 nan 8.300 nan 0.000 0.476 331 F N 0.599 120.665 119.950 0.194 0.000 2.135 331 F HA -0.294 4.198 4.527 -0.058 0.000 0.300 331 F C 2.130 177.826 175.800 -0.174 0.000 1.074 331 F CA 1.703 59.704 58.000 0.001 0.000 1.262 331 F CB -0.853 38.091 39.000 -0.094 0.000 1.013 331 F HN 0.071 nan 8.300 nan 0.000 0.489 332 G N 0.068 108.992 108.800 0.206 0.000 2.616 332 G HA2 -0.234 3.695 3.960 -0.052 0.000 0.215 332 G HA3 -0.234 3.695 3.960 -0.052 0.000 0.215 332 G C 1.562 176.393 174.900 -0.115 0.000 1.284 332 G CA 1.879 47.020 45.100 0.069 0.000 0.823 332 G HN 0.388 nan 8.290 nan 0.000 0.569 333 V N 1.604 121.359 119.914 -0.265 0.000 2.242 333 V HA -0.337 3.752 4.120 -0.052 0.000 0.257 333 V C 2.656 178.428 176.094 -0.537 0.000 1.073 333 V CA 2.067 64.069 62.300 -0.496 0.000 1.058 333 V CB -1.191 30.184 31.823 -0.746 0.000 0.664 333 V HN 0.445 nan 8.190 nan 0.000 0.451 334 I N 1.776 122.032 120.570 -0.522 0.000 2.069 334 I HA -0.274 3.865 4.170 -0.052 0.000 0.237 334 I C 2.653 178.698 176.117 -0.121 0.000 1.053 334 I CA 2.769 63.897 61.300 -0.287 0.000 1.311 334 I CB -1.343 36.634 38.000 -0.039 0.000 1.030 334 I HN 0.393 nan 8.210 nan 0.000 0.398 335 A N 1.848 124.552 122.820 -0.194 0.000 1.873 335 A HA -0.375 3.914 4.320 -0.052 0.000 0.219 335 A C 2.551 180.128 177.584 -0.012 0.000 1.269 335 A CA 3.116 55.038 52.037 -0.192 0.000 0.671 335 A CB -1.312 17.468 19.000 -0.368 0.000 0.842 335 A HN 0.732 nan 8.150 nan 0.000 0.460 336 M N -1.910 117.687 119.600 -0.003 0.000 2.352 336 M HA -0.238 4.211 4.480 -0.052 0.000 0.260 336 M C 2.044 178.412 176.300 0.114 0.000 1.068 336 M CA 2.768 58.105 55.300 0.061 0.000 1.082 336 M CB -0.534 32.107 32.600 0.069 0.000 1.262 336 M HN 0.359 nan 8.290 nan 0.000 0.444 337 F N 0.629 120.481 119.950 -0.162 0.000 2.085 337 F HA -0.196 4.290 4.527 -0.069 0.000 0.299 337 F C 2.623 178.368 175.800 -0.092 0.000 1.096 337 F CA 1.685 59.577 58.000 -0.180 0.000 1.227 337 F CB -1.778 37.114 39.000 -0.179 0.000 0.983 337 F HN 0.373 nan 8.300 nan 0.000 0.482 338 G N -0.955 107.971 108.800 0.210 0.000 2.433 338 G HA2 -0.184 3.745 3.960 -0.052 0.000 0.216 338 G HA3 -0.184 3.745 3.960 -0.052 0.000 0.216 338 G C 1.933 177.020 174.900 0.313 0.000 1.186 338 G CA 1.297 46.531 45.100 0.223 0.000 0.779 338 G HN 0.532 nan 8.290 nan 0.000 0.543 339 A N 0.648 123.785 122.820 0.529 0.000 1.971 339 A HA -0.130 4.159 4.320 -0.052 0.000 0.222 339 A C 2.412 180.211 177.584 0.360 0.000 1.182 339 A CA 1.661 54.068 52.037 0.618 0.000 0.649 339 A CB -0.390 18.745 19.000 0.226 0.000 0.818 339 A HN 0.423 nan 8.150 nan 0.000 0.458 340 I N -0.871 119.729 120.570 0.051 0.000 2.110 340 I HA -0.254 3.885 4.170 -0.052 0.000 0.236 340 I C 3.064 179.199 176.117 0.030 0.000 1.068 340 I CA 1.034 62.294 61.300 -0.067 0.000 1.333 340 I CB -0.778 36.997 38.000 -0.375 0.000 1.054 340 I HN 0.394 nan 8.210 nan 0.000 0.402 341 A N 1.017 123.831 122.820 -0.011 0.000 1.929 341 A HA -0.271 4.017 4.320 -0.052 0.000 0.221 341 A C 2.364 179.984 177.584 0.061 0.000 1.211 341 A CA 2.770 54.805 52.037 -0.004 0.000 0.657 341 A CB -1.381 17.613 19.000 -0.009 0.000 0.827 341 A HN 0.323 nan 8.150 nan 0.000 0.462 342 V N -0.561 119.418 119.914 0.109 0.000 2.278 342 V HA -0.440 3.648 4.120 -0.052 0.000 0.251 342 V C 2.556 178.886 176.094 0.394 0.000 1.062 342 V CA 2.633 65.051 62.300 0.195 0.000 1.038 342 V CB -0.945 30.993 31.823 0.193 0.000 0.646 342 V HN 0.627 nan 8.190 nan 0.000 0.447 343 M N -0.171 119.640 119.600 0.351 0.000 2.103 343 M HA -0.295 4.153 4.480 -0.052 0.000 0.255 343 M C 2.390 179.026 176.300 0.560 0.000 1.074 343 M CA 2.523 58.207 55.300 0.640 0.000 1.090 343 M CB -0.673 32.104 32.600 0.295 0.000 1.325 343 M HN 0.465 nan 8.290 nan 0.000 0.403 344 A N 0.428 123.404 122.820 0.261 0.000 1.859 344 A HA -0.218 4.071 4.320 -0.052 0.000 0.218 344 A C 1.852 179.594 177.584 0.264 0.000 1.209 344 A CA 1.780 53.941 52.037 0.206 0.000 0.639 344 A CB -1.061 17.930 19.000 -0.015 0.000 0.835 344 A HN 0.406 nan 8.150 nan 0.000 0.450 345 L N -0.543 120.701 121.223 0.034 0.000 2.197 345 L HA -0.239 4.070 4.340 -0.052 0.000 0.215 345 L C 2.869 179.733 176.870 -0.010 0.000 1.095 345 L CA 1.571 56.320 54.840 -0.151 0.000 0.764 345 L CB -1.988 40.014 42.059 -0.095 0.000 0.897 345 L HN 0.554 nan 8.230 nan 0.000 0.436 346 A N 0.055 122.935 122.820 0.100 0.000 1.855 346 A HA -0.358 3.931 4.320 -0.052 0.000 0.290 346 A C 0.210 177.732 177.584 -0.103 0.000 3.052 346 A CA 3.013 54.933 52.037 -0.195 0.000 0.951 346 A CB -2.463 16.311 19.000 -0.376 0.000 0.770 346 A HN 0.343 nan 8.150 nan 0.000 0.505 347 P HA -0.215 nan 4.420 nan 0.000 0.210 347 P C 0.881 178.431 177.300 0.417 0.000 1.151 347 P CA 1.997 65.344 63.100 0.412 0.000 0.949 347 P CB -0.496 31.501 31.700 0.495 0.000 0.786 348 W N -1.056 120.269 121.300 0.042 0.000 2.596 348 W HA -0.029 4.601 4.660 -0.049 0.000 0.255 348 W C 1.626 178.146 176.519 0.001 0.000 1.232 348 W CA 0.583 57.942 57.345 0.023 0.000 1.230 348 W CB -1.829 27.654 29.460 0.038 0.000 1.141 348 W HN 0.076 nan 8.180 nan 0.000 0.628 349 L N -1.107 120.232 121.223 0.193 0.000 2.701 349 L HA 0.160 4.468 4.340 -0.052 0.000 0.238 349 L C 0.188 177.065 176.870 0.011 0.000 1.106 349 L CA 0.112 54.987 54.840 0.059 0.000 0.898 349 L CB 0.081 42.125 42.059 -0.026 0.000 1.188 349 L HN -0.327 nan 8.230 nan 0.000 0.508 350 D N 1.126 121.563 120.400 0.063 0.000 2.412 350 D HA 0.125 4.733 4.640 -0.052 0.000 0.224 350 D C -0.111 176.185 176.300 -0.007 0.000 1.093 350 D CA -0.215 53.803 54.000 0.030 0.000 0.850 350 D CB 0.961 41.835 40.800 0.123 0.000 1.046 350 D HN -0.047 nan 8.370 nan 0.000 0.507 351 T N 1.014 115.551 114.554 -0.028 0.000 2.811 351 T HA 0.544 4.862 4.350 -0.052 0.000 0.309 351 T C -0.156 174.513 174.700 -0.052 0.000 1.005 351 T CA -0.851 61.226 62.100 -0.038 0.000 0.955 351 T CB 0.423 69.274 68.868 -0.029 0.000 0.970 351 T HN 0.159 nan 8.240 nan 0.000 0.496 352 S N 2.271 117.929 115.700 -0.070 0.000 2.546 352 S HA 0.167 4.606 4.470 -0.052 0.000 0.303 352 S C -0.240 174.302 174.600 -0.095 0.000 1.067 352 S CA -0.871 57.284 58.200 -0.075 0.000 0.944 352 S CB 0.498 63.648 63.200 -0.084 0.000 1.155 352 S HN 0.521 nan 8.310 nan 0.000 0.449 353 K N 3.017 123.370 120.400 -0.077 0.000 3.120 353 K HA 0.141 4.430 4.320 -0.052 0.000 0.275 353 K C 0.412 176.961 176.600 -0.086 0.000 0.914 353 K CA 0.245 56.483 56.287 -0.082 0.000 1.125 353 K CB -0.986 31.475 32.500 -0.064 0.000 1.053 353 K HN 0.421 nan 8.250 nan 0.000 0.450 354 V N -0.436 119.413 119.914 -0.108 0.000 3.204 354 V HA 0.472 4.560 4.120 -0.052 0.000 0.316 354 V C 0.853 176.853 176.094 -0.157 0.000 1.160 354 V CA -1.064 61.175 62.300 -0.101 0.000 1.044 354 V CB 2.112 33.887 31.823 -0.080 0.000 1.136 354 V HN 0.116 nan 8.190 nan 0.000 0.455 355 R N -0.507 119.912 120.500 -0.135 0.000 2.642 355 R HA 0.401 4.710 4.340 -0.052 0.000 0.103 355 R C 0.232 176.392 176.300 -0.233 0.000 1.144 355 R CA -0.545 55.445 56.100 -0.185 0.000 0.955 355 R CB -0.668 29.560 30.300 -0.120 0.000 0.817 355 R HN 0.608 nan 8.270 nan 0.000 0.381 356 S N 1.881 117.421 115.700 -0.267 0.000 3.712 356 S HA -0.062 4.376 4.470 -0.052 0.000 0.442 356 S C 1.299 175.619 174.600 -0.466 0.000 1.086 356 S CA 0.520 58.417 58.200 -0.505 0.000 1.356 356 S CB -0.298 62.438 63.200 -0.773 0.000 0.876 356 S HN 0.664 nan 8.310 nan 0.000 0.547 357 G N 2.974 111.565 108.800 -0.347 0.000 2.537 357 G HA2 -0.160 3.768 3.960 -0.052 0.000 0.220 357 G HA3 -0.160 3.768 3.960 -0.052 0.000 0.220 357 G C 1.390 176.329 174.900 0.065 0.000 1.111 357 G CA 0.571 45.735 45.100 0.107 0.000 0.748 357 G HN 0.863 nan 8.290 nan 0.000 0.564 358 A N -0.248 122.351 122.820 -0.368 0.000 2.131 358 A HA 0.042 4.331 4.320 -0.052 0.000 0.220 358 A C 1.295 178.682 177.584 -0.329 0.000 1.158 358 A CA 0.899 52.704 52.037 -0.386 0.000 0.665 358 A CB -0.312 18.213 19.000 -0.791 0.000 0.795 358 A HN 0.423 nan 8.150 nan 0.000 0.460 359 Y N -1.238 119.064 120.300 0.003 0.000 2.720 359 Y HA 0.436 4.955 4.550 -0.052 0.000 0.268 359 Y C 0.424 176.349 175.900 0.042 0.000 1.142 359 Y CA -0.754 57.346 58.100 0.001 0.000 1.193 359 Y CB 0.090 38.519 38.460 -0.052 0.000 1.176 359 Y HN 0.169 nan 8.280 nan 0.000 0.542 360 R N -0.036 120.587 120.500 0.205 0.000 2.984 360 R HA 0.219 4.528 4.340 -0.052 0.000 0.252 360 R C -2.536 173.968 176.300 0.341 0.000 1.842 360 R CA -1.314 54.930 56.100 0.240 0.000 1.389 360 R CB 1.242 31.658 30.300 0.193 0.000 1.454 360 R HN -0.001 nan 8.270 nan 0.000 0.578 361 P HA -0.297 nan 4.420 nan 0.000 0.209 361 P C 0.845 178.326 177.300 0.303 0.000 1.167 361 P CA 1.536 64.775 63.100 0.231 0.000 0.941 361 P CB 0.263 32.059 31.700 0.160 0.000 0.787 362 K N -1.878 118.721 120.400 0.332 0.000 2.077 362 K HA -0.244 4.045 4.320 -0.052 0.000 0.213 362 K C 2.092 179.100 176.600 0.680 0.000 1.051 362 K CA 1.787 58.368 56.287 0.490 0.000 0.929 362 K CB -0.986 31.806 32.500 0.488 0.000 0.715 362 K HN 0.102 nan 8.250 nan 0.000 0.451 363 F N 2.131 122.345 119.950 0.440 0.000 2.011 363 F HA -0.268 4.228 4.527 -0.053 0.000 0.296 363 F C 2.287 178.450 175.800 0.605 0.000 1.144 363 F CA 1.671 59.973 58.000 0.503 0.000 1.185 363 F CB -0.491 38.745 39.000 0.393 0.000 0.961 363 F HN -0.075 nan 8.300 nan 0.000 0.485 364 R N -0.006 120.787 120.500 0.487 0.000 2.191 364 R HA -0.327 3.982 4.340 -0.052 0.000 0.248 364 R C 2.378 178.851 176.300 0.288 0.000 1.127 364 R CA 2.481 58.770 56.100 0.315 0.000 0.943 364 R CB -1.070 29.361 30.300 0.218 0.000 0.891 364 R HN 0.496 nan 8.270 nan 0.000 0.439 365 M N 0.121 119.834 119.600 0.188 0.000 2.315 365 M HA -0.236 4.212 4.480 -0.052 0.000 0.264 365 M C 1.824 178.189 176.300 0.109 0.000 1.075 365 M CA 2.075 57.368 55.300 -0.011 0.000 1.093 365 M CB -0.404 32.047 32.600 -0.247 0.000 1.251 365 M HN 0.187 nan 8.290 nan 0.000 0.449 366 W N 0.026 121.518 121.300 0.319 0.000 2.305 366 W HA -0.279 4.348 4.660 -0.054 0.000 0.308 366 W C 2.236 179.143 176.519 0.646 0.000 1.226 366 W CA 1.747 59.432 57.345 0.566 0.000 1.253 366 W CB -1.159 28.599 29.460 0.497 0.000 1.146 366 W HN 0.416 nan 8.180 nan 0.000 0.507 367 F N -0.623 119.608 119.950 0.468 0.000 2.046 367 F HA -0.248 4.249 4.527 -0.050 0.000 0.297 367 F C 1.990 177.879 175.800 0.149 0.000 1.123 367 F CA 2.010 60.131 58.000 0.202 0.000 1.199 367 F CB -0.911 37.864 39.000 -0.375 0.000 0.972 367 F HN -0.198 nan 8.300 nan 0.000 0.474 368 W N 0.131 121.613 121.300 0.303 0.000 2.342 368 W HA -0.171 4.460 4.660 -0.049 0.000 0.297 368 W C 2.576 179.166 176.519 0.119 0.000 1.213 368 W CA 1.697 59.123 57.345 0.136 0.000 1.251 368 W CB -1.230 28.279 29.460 0.081 0.000 1.136 368 W HN 0.091 nan 8.180 nan 0.000 0.526 369 F N -0.448 119.602 119.950 0.167 0.000 2.154 369 F HA -0.318 4.179 4.527 -0.051 0.000 0.301 369 F C 2.285 178.074 175.800 -0.019 0.000 1.087 369 F CA 0.720 58.721 58.000 0.003 0.000 1.274 369 F CB -0.432 38.556 39.000 -0.020 0.000 1.009 369 F HN -0.128 nan 8.300 nan 0.000 0.485 370 L N 0.221 121.652 121.223 0.347 0.000 1.961 370 L HA -0.149 4.159 4.340 -0.052 0.000 0.209 370 L C 2.318 179.242 176.870 0.090 0.000 1.075 370 L CA 1.638 56.639 54.840 0.268 0.000 0.749 370 L CB -1.601 40.328 42.059 -0.217 0.000 0.890 370 L HN 0.026 nan 8.230 nan 0.000 0.433 371 V N 0.275 119.998 119.914 -0.318 0.000 2.277 371 V HA -0.306 3.782 4.120 -0.052 0.000 0.253 371 V C 2.716 178.693 176.094 -0.196 0.000 1.067 371 V CA 2.327 64.233 62.300 -0.656 0.000 1.047 371 V CB -0.644 30.426 31.823 -1.255 0.000 0.649 371 V HN 0.628 nan 8.190 nan 0.000 0.447 372 L N 0.308 121.461 121.223 -0.116 0.000 1.990 372 L HA -0.246 4.062 4.340 -0.052 0.000 0.213 372 L C 2.349 179.258 176.870 0.064 0.000 1.072 372 L CA 3.230 58.068 54.840 -0.003 0.000 0.755 372 L CB -1.615 40.487 42.059 0.072 0.000 0.889 372 L HN 0.663 nan 8.230 nan 0.000 0.432 373 D N -0.871 119.584 120.400 0.092 0.000 2.127 373 D HA -0.354 4.254 4.640 -0.052 0.000 0.190 373 D C 2.147 178.606 176.300 0.264 0.000 1.000 373 D CA 2.194 56.294 54.000 0.167 0.000 0.839 373 D CB -0.421 40.585 40.800 0.343 0.000 0.955 373 D HN 0.361 nan 8.370 nan 0.000 0.446 374 F N 0.459 120.575 119.950 0.277 0.000 2.045 374 F HA -0.325 4.173 4.527 -0.049 0.000 0.297 374 F C 2.328 178.191 175.800 0.105 0.000 1.114 374 F CA 1.960 60.129 58.000 0.281 0.000 1.207 374 F CB -0.838 38.414 39.000 0.421 0.000 0.964 374 F HN -0.025 nan 8.300 nan 0.000 0.486 375 V N -0.026 120.053 119.914 0.276 0.000 2.231 375 V HA -0.384 3.705 4.120 -0.052 0.000 0.248 375 V C 2.384 178.526 176.094 0.080 0.000 1.054 375 V CA 2.063 64.445 62.300 0.136 0.000 1.015 375 V CB -0.790 31.084 31.823 0.085 0.000 0.638 375 V HN 0.357 nan 8.190 nan 0.000 0.444 376 V N -0.466 119.499 119.914 0.085 0.000 2.252 376 V HA -0.352 3.737 4.120 -0.052 0.000 0.255 376 V C 2.338 178.546 176.094 0.190 0.000 1.071 376 V CA 2.222 64.610 62.300 0.148 0.000 1.050 376 V CB -0.811 31.069 31.823 0.095 0.000 0.654 376 V HN 0.405 nan 8.190 nan 0.000 0.448 377 L N 0.235 121.480 121.223 0.035 0.000 1.944 377 L HA -0.213 4.096 4.340 -0.052 0.000 0.218 377 L C 2.648 179.446 176.870 -0.120 0.000 1.075 377 L CA 3.022 57.812 54.840 -0.084 0.000 0.767 377 L CB -1.733 40.170 42.059 -0.261 0.000 0.890 377 L HN 0.453 nan 8.230 nan 0.000 0.434 378 T N -1.455 112.950 114.554 -0.247 0.000 2.848 378 T HA -0.261 4.057 4.350 -0.052 0.000 0.269 378 T C 1.232 175.931 174.700 -0.002 0.000 1.081 378 T CA 1.571 63.556 62.100 -0.192 0.000 1.125 378 T CB -0.415 68.332 68.868 -0.202 0.000 0.848 378 T HN 0.570 nan 8.240 nan 0.000 0.503 379 W N 1.525 122.762 121.300 -0.105 0.000 2.484 379 W HA -0.006 4.627 4.660 -0.045 0.000 0.320 379 W C 2.008 178.496 176.519 -0.052 0.000 1.159 379 W CA 0.104 57.416 57.345 -0.055 0.000 1.352 379 W CB -0.909 28.539 29.460 -0.021 0.000 1.185 379 W HN -0.080 nan 8.180 nan 0.000 0.470 380 V N 2.439 122.265 119.914 -0.146 0.000 2.428 380 V HA -0.331 3.758 4.120 -0.052 0.000 0.255 380 V C 2.413 178.304 176.094 -0.338 0.000 1.080 380 V CA 2.185 64.246 62.300 -0.398 0.000 1.083 380 V CB -1.854 29.905 31.823 -0.106 0.000 0.665 380 V HN 0.548 nan 8.190 nan 0.000 0.461 381 G N -1.138 107.507 108.800 -0.258 0.000 2.631 381 G HA2 -0.185 3.744 3.960 -0.052 0.000 0.221 381 G HA3 -0.185 3.744 3.960 -0.052 0.000 0.221 381 G C 1.365 175.936 174.900 -0.548 0.000 1.095 381 G CA 1.341 46.221 45.100 -0.367 0.000 0.727 381 G HN 0.719 nan 8.290 nan 0.000 0.587 382 A N -0.617 121.937 122.820 -0.444 0.000 1.997 382 A HA 0.497 4.786 4.320 -0.052 0.000 0.198 382 A C 1.172 178.509 177.584 -0.411 0.000 1.449 382 A CA -0.072 51.716 52.037 -0.415 0.000 0.908 382 A CB 0.100 18.913 19.000 -0.311 0.000 0.984 382 A HN 0.196 nan 8.150 nan 0.000 0.487 383 M N 2.678 121.974 119.600 -0.507 0.000 2.290 383 M HA 0.134 4.583 4.480 -0.052 0.000 0.356 383 M C -2.394 173.635 176.300 -0.451 0.000 1.448 383 M CA -2.297 52.653 55.300 -0.582 0.000 0.993 383 M CB -0.823 31.377 32.600 -0.667 0.000 1.934 383 M HN 0.172 nan 8.290 nan 0.000 0.461 384 P HA 0.056 nan 4.420 nan 0.000 0.271 384 P C 0.328 177.496 177.300 -0.221 0.000 1.216 384 P CA -0.058 62.876 63.100 -0.277 0.000 0.771 384 P CB -0.146 31.417 31.700 -0.228 0.000 0.864 385 T N -0.425 114.071 114.554 -0.097 0.000 3.813 385 T HA -0.146 4.173 4.350 -0.052 0.000 0.272 385 T C 0.270 174.973 174.700 0.006 0.000 1.181 385 T CA 0.688 62.766 62.100 -0.037 0.000 1.768 385 T CB -1.170 67.671 68.868 -0.044 0.000 0.958 385 T HN 0.467 nan 8.240 nan 0.000 0.560 386 E N -0.160 120.075 120.200 0.060 0.000 2.235 386 E HA 0.309 4.628 4.350 -0.052 0.000 0.265 386 E C -0.667 176.159 176.600 0.376 0.000 0.940 386 E CA -1.238 55.258 56.400 0.162 0.000 0.819 386 E CB 1.345 31.109 29.700 0.107 0.000 1.206 386 E HN 0.536 nan 8.360 nan 0.000 0.409 387 Y N 3.520 123.914 120.300 0.156 0.000 2.805 387 Y HA -0.008 4.510 4.550 -0.054 0.000 0.331 387 Y C -1.472 174.546 175.900 0.196 0.000 1.241 387 Y CA -1.151 57.046 58.100 0.161 0.000 1.546 387 Y CB 0.745 39.283 38.460 0.129 0.000 1.248 387 Y HN 0.354 nan 8.280 nan 0.000 0.559 388 P HA 0.061 nan 4.420 nan 0.000 0.278 388 P C 0.013 177.346 177.300 0.054 0.000 1.502 388 P CA 0.138 63.462 63.100 0.374 0.000 1.114 388 P CB 0.022 31.963 31.700 0.402 0.000 1.541 389 Y N 2.218 122.598 120.300 0.133 0.000 2.256 389 Y HA -0.284 4.236 4.550 -0.051 0.000 0.288 389 Y C 2.223 178.113 175.900 -0.017 0.000 1.155 389 Y CA 2.048 60.152 58.100 0.007 0.000 1.203 389 Y CB -1.160 37.242 38.460 -0.097 0.000 0.980 389 Y HN 0.150 nan 8.280 nan 0.000 0.530 390 D N -1.715 118.733 120.400 0.079 0.000 2.077 390 D HA -0.267 4.341 4.640 -0.052 0.000 0.193 390 D C 1.853 178.100 176.300 -0.089 0.000 0.989 390 D CA 1.455 55.401 54.000 -0.089 0.000 0.831 390 D CB -1.206 39.457 40.800 -0.228 0.000 0.979 390 D HN 0.386 nan 8.370 nan 0.000 0.449 391 W N 0.907 122.137 121.300 -0.117 0.000 2.290 391 W HA -0.203 4.427 4.660 -0.050 0.000 0.323 391 W C 2.521 178.990 176.519 -0.084 0.000 1.260 391 W CA 0.900 58.170 57.345 -0.125 0.000 1.266 391 W CB -0.343 29.024 29.460 -0.156 0.000 1.149 391 W HN -0.027 nan 8.180 nan 0.000 0.482 392 I N -0.368 120.332 120.570 0.217 0.000 2.087 392 I HA -0.447 3.691 4.170 -0.052 0.000 0.240 392 I C 2.468 178.641 176.117 0.093 0.000 1.054 392 I CA 1.817 63.200 61.300 0.139 0.000 1.311 392 I CB -1.255 36.826 38.000 0.136 0.000 1.024 392 I HN -0.094 nan 8.210 nan 0.000 0.402 393 S N 0.821 116.541 115.700 0.034 0.000 2.380 393 S HA -0.249 4.189 4.470 -0.052 0.000 0.229 393 S C 1.825 176.369 174.600 -0.094 0.000 1.050 393 S CA 1.764 59.934 58.200 -0.050 0.000 1.100 393 S CB -0.558 62.572 63.200 -0.117 0.000 0.984 393 S HN 0.179 nan 8.310 nan 0.000 0.434 394 L N 1.542 122.695 121.223 -0.116 0.000 1.934 394 L HA -0.183 4.126 4.340 -0.052 0.000 0.227 394 L C 2.312 179.211 176.870 0.048 0.000 1.084 394 L CA 2.172 56.940 54.840 -0.121 0.000 0.790 394 L CB -1.159 40.887 42.059 -0.022 0.000 0.896 394 L HN 0.534 nan 8.230 nan 0.000 0.437 395 I N -2.170 118.494 120.570 0.157 0.000 2.147 395 I HA -0.374 3.764 4.170 -0.052 0.000 0.245 395 I C 2.400 178.634 176.117 0.194 0.000 1.059 395 I CA 2.081 63.484 61.300 0.171 0.000 1.320 395 I CB -1.103 36.966 38.000 0.115 0.000 1.021 395 I HN 0.224 nan 8.210 nan 0.000 0.415 396 A N 0.925 123.831 122.820 0.144 0.000 1.841 396 A HA -0.200 4.089 4.320 -0.052 0.000 0.216 396 A C 2.465 180.212 177.584 0.272 0.000 1.199 396 A CA 2.752 54.902 52.037 0.188 0.000 0.621 396 A CB -1.399 17.669 19.000 0.112 0.000 0.835 396 A HN 0.591 nan 8.150 nan 0.000 0.445 397 S N -0.224 115.550 115.700 0.123 0.000 2.369 397 S HA -0.207 4.232 4.470 -0.052 0.000 0.225 397 S C 2.077 176.851 174.600 0.291 0.000 1.043 397 S CA 2.088 60.353 58.200 0.109 0.000 1.074 397 S CB -0.996 62.143 63.200 -0.102 0.000 0.962 397 S HN 0.741 nan 8.310 nan 0.000 0.433 398 T N 1.350 116.054 114.554 0.251 0.000 2.597 398 T HA -0.244 4.074 4.350 -0.052 0.000 0.267 398 T C 1.492 176.456 174.700 0.440 0.000 1.053 398 T CA 1.967 64.280 62.100 0.356 0.000 1.165 398 T CB -0.846 68.197 68.868 0.291 0.000 0.863 398 T HN 0.466 nan 8.240 nan 0.000 0.427 399 Y N 1.425 121.923 120.300 0.330 0.000 1.993 399 Y HA -0.294 4.224 4.550 -0.054 0.000 0.267 399 Y C 2.434 178.637 175.900 0.506 0.000 1.155 399 Y CA 1.927 60.245 58.100 0.363 0.000 1.105 399 Y CB -0.754 37.866 38.460 0.267 0.000 0.960 399 Y HN 0.362 nan 8.280 nan 0.000 0.486 400 W N 0.475 121.964 121.300 0.315 0.000 2.284 400 W HA -0.406 4.230 4.660 -0.039 0.000 0.337 400 W C 2.205 178.913 176.519 0.315 0.000 1.322 400 W CA 2.636 60.138 57.345 0.262 0.000 1.245 400 W CB -1.487 28.139 29.460 0.276 0.000 1.141 400 W HN 0.287 nan 8.180 nan 0.000 0.465 401 F N 1.116 121.417 119.950 0.586 0.000 2.063 401 F HA -0.311 4.187 4.527 -0.050 0.000 0.298 401 F C 2.763 178.716 175.800 0.254 0.000 1.105 401 F CA 2.918 61.173 58.000 0.425 0.000 1.215 401 F CB -1.448 37.786 39.000 0.391 0.000 0.972 401 F HN 0.020 nan 8.300 nan 0.000 0.483 402 A N -1.672 121.351 122.820 0.339 0.000 1.969 402 A HA -0.207 4.082 4.320 -0.052 0.000 0.218 402 A C 2.102 179.709 177.584 0.040 0.000 1.169 402 A CA 1.254 53.380 52.037 0.148 0.000 0.635 402 A CB -1.440 17.643 19.000 0.139 0.000 0.810 402 A HN 0.556 nan 8.150 nan 0.000 0.445 403 Y N -0.638 119.558 120.300 -0.174 0.000 2.070 403 Y HA -0.279 4.240 4.550 -0.051 0.000 0.280 403 Y C 1.965 177.858 175.900 -0.011 0.000 1.148 403 Y CA 2.336 60.331 58.100 -0.176 0.000 1.125 403 Y CB -0.490 37.848 38.460 -0.204 0.000 0.975 403 Y HN 0.249 nan 8.280 nan 0.000 0.492 404 F N -0.510 119.526 119.950 0.142 0.000 2.216 404 F HA -0.182 4.316 4.527 -0.047 0.000 0.300 404 F C 1.871 177.628 175.800 -0.072 0.000 1.085 404 F CA 0.974 58.995 58.000 0.036 0.000 1.326 404 F CB -0.323 38.655 39.000 -0.037 0.000 1.027 404 F HN 0.178 nan 8.300 nan 0.000 0.497 405 L N -2.182 119.091 121.223 0.084 0.000 2.470 405 L HA 0.121 4.430 4.340 -0.052 0.000 0.219 405 L C 1.868 178.713 176.870 -0.041 0.000 1.071 405 L CA 0.721 55.557 54.840 -0.008 0.000 0.850 405 L CB -0.577 41.452 42.059 -0.050 0.000 1.040 405 L HN -0.062 nan 8.230 nan 0.000 0.475 406 V N -1.466 118.413 119.914 -0.059 0.000 2.950 406 V HA 0.089 4.177 4.120 -0.052 0.000 0.231 406 V C 2.061 178.044 176.094 -0.185 0.000 1.205 406 V CA 0.139 62.385 62.300 -0.090 0.000 1.239 406 V CB 0.678 32.473 31.823 -0.047 0.000 1.050 406 V HN 0.074 nan 8.190 nan 0.000 0.498 407 I N 0.406 120.811 120.570 -0.275 0.000 2.194 407 I HA -0.221 3.917 4.170 -0.052 0.000 0.246 407 I C 2.420 178.287 176.117 -0.417 0.000 1.093 407 I CA 1.831 62.851 61.300 -0.466 0.000 1.355 407 I CB -0.388 37.235 38.000 -0.628 0.000 1.046 407 I HN 0.208 nan 8.210 nan 0.000 0.413 408 L N 2.169 123.138 121.223 -0.424 0.000 1.952 408 L HA -0.199 4.110 4.340 -0.052 0.000 0.231 408 L C -0.044 176.723 176.870 -0.172 0.000 1.088 408 L CA 3.104 57.752 54.840 -0.319 0.000 0.802 408 L CB -2.940 38.929 42.059 -0.316 0.000 0.903 408 L HN 0.147 nan 8.230 nan 0.000 0.439 409 P HA -0.244 nan 4.420 nan 0.000 0.214 409 P C 2.173 179.426 177.300 -0.078 0.000 1.169 409 P CA 1.835 64.886 63.100 -0.081 0.000 0.908 409 P CB -0.251 31.414 31.700 -0.059 0.000 0.791 410 L N -0.626 120.540 121.223 -0.095 0.000 1.990 410 L HA -0.170 4.139 4.340 -0.052 0.000 0.213 410 L C 2.763 179.585 176.870 -0.081 0.000 1.072 410 L CA 1.577 56.367 54.840 -0.084 0.000 0.755 410 L CB -1.053 40.942 42.059 -0.107 0.000 0.889 410 L HN -0.110 nan 8.230 nan 0.000 0.432 411 L N -0.339 120.805 121.223 -0.132 0.000 2.089 411 L HA -0.208 4.101 4.340 -0.052 0.000 0.213 411 L C 2.293 179.159 176.870 -0.008 0.000 1.079 411 L CA 2.220 57.011 54.840 -0.082 0.000 0.758 411 L CB -1.376 40.617 42.059 -0.110 0.000 0.891 411 L HN 0.515 nan 8.230 nan 0.000 0.433 412 G N -0.933 107.848 108.800 -0.032 0.000 2.414 412 G HA2 -0.252 3.676 3.960 -0.052 0.000 0.215 412 G HA3 -0.252 3.676 3.960 -0.052 0.000 0.215 412 G C 1.697 176.588 174.900 -0.014 0.000 1.188 412 G CA 0.880 45.965 45.100 -0.025 0.000 0.783 412 G HN 0.584 nan 8.290 nan 0.000 0.537 413 A N 0.493 123.301 122.820 -0.021 0.000 2.042 413 A HA -0.099 4.189 4.320 -0.052 0.000 0.222 413 A C 2.464 180.050 177.584 0.003 0.000 1.167 413 A CA 2.915 54.945 52.037 -0.012 0.000 0.649 413 A CB -0.793 18.198 19.000 -0.015 0.000 0.809 413 A HN 0.659 nan 8.150 nan 0.000 0.457 414 T N -4.666 109.896 114.554 0.014 0.000 3.023 414 T HA 0.178 4.497 4.350 -0.052 0.000 0.253 414 T C 1.239 175.972 174.700 0.055 0.000 1.038 414 T CA 0.454 62.577 62.100 0.037 0.000 0.962 414 T CB 0.221 69.120 68.868 0.051 0.000 1.018 414 T HN 0.281 nan 8.240 nan 0.000 0.521 415 E N 1.726 121.957 120.200 0.051 0.000 2.204 415 E HA -0.016 4.302 4.350 -0.052 0.000 0.194 415 E C 2.028 178.652 176.600 0.039 0.000 0.989 415 E CA 0.511 56.950 56.400 0.065 0.000 0.824 415 E CB -0.126 29.601 29.700 0.045 0.000 0.756 415 E HN 0.384 nan 8.360 nan 0.000 0.477 416 K N 0.372 120.784 120.400 0.019 0.000 1.987 416 K HA -0.138 4.151 4.320 -0.052 0.000 0.216 416 K C -0.757 175.855 176.600 0.020 0.000 1.051 416 K CA 1.286 57.578 56.287 0.008 0.000 0.942 416 K CB -1.358 31.142 32.500 0.000 0.000 0.722 416 K HN 0.018 nan 8.250 nan 0.000 0.444 417 P HA -0.148 nan 4.420 nan 0.000 0.221 417 P C 0.802 178.129 177.300 0.044 0.000 1.141 417 P CA 1.177 64.297 63.100 0.034 0.000 0.794 417 P CB 0.126 31.851 31.700 0.043 0.000 0.764 418 E N -1.151 119.082 120.200 0.055 0.000 3.349 418 E HA 0.420 4.738 4.350 -0.052 0.000 0.412 418 E C -1.840 174.789 176.600 0.048 0.000 0.363 418 E CA -0.187 56.253 56.400 0.066 0.000 2.411 418 E CB -0.782 28.979 29.700 0.102 0.000 2.217 418 E HN -0.172 nan 8.360 nan 0.000 0.453 419 P HA 0.010 nan 4.420 nan 0.000 0.296 419 P C -0.347 176.961 177.300 0.014 0.000 1.948 419 P CA 2.142 65.269 63.100 0.044 0.000 1.731 419 P CB -1.150 30.557 31.700 0.012 0.000 0.264 420 I N -1.114 119.436 120.570 -0.033 0.000 2.361 420 I HA 0.792 4.930 4.170 -0.052 0.000 0.311 420 I C -1.287 174.692 176.117 -0.229 0.000 1.660 420 I CA 1.166 62.412 61.300 -0.090 0.000 0.753 420 I CB -0.059 37.924 38.000 -0.029 0.000 1.907 420 I HN 1.833 nan 8.210 nan 0.000 0.564 421 P HA 1.178 nan 4.420 nan 0.000 0.409 421 P C -0.784 176.218 177.300 -0.498 0.000 1.220 421 P CA 0.717 63.503 63.100 -0.525 0.000 1.632 421 P CB 0.886 32.032 31.700 -0.923 0.000 3.453 422 A N -1.421 121.169 122.820 -0.383 0.000 3.004 422 A HA 1.047 5.335 4.320 -0.052 0.000 0.276 422 A C 0.602 178.094 177.584 -0.154 0.000 1.011 422 A CA 1.318 53.213 52.037 -0.236 0.000 0.550 422 A CB -0.857 18.043 19.000 -0.167 0.000 1.607 422 A HN 2.731 nan 8.150 nan 0.000 0.762 423 S N -1.957 113.680 115.700 -0.106 0.000 3.896 423 S HA 0.506 4.945 4.470 -0.052 0.000 0.589 423 S C 1.974 176.535 174.600 -0.066 0.000 0.691 423 S CA 1.066 59.218 58.200 -0.080 0.000 1.396 423 S CB -2.604 60.547 63.200 -0.081 0.000 0.831 423 S HN 2.654 nan 8.310 nan 0.000 0.800 424 I N -1.647 118.889 120.570 -0.057 0.000 4.557 424 I HA 0.027 4.165 4.170 -0.052 0.000 0.077 424 I C 1.743 177.829 176.117 -0.050 0.000 0.630 424 I CA 4.021 65.291 61.300 -0.049 0.000 0.724 424 I CB -1.930 36.045 38.000 -0.041 0.000 0.656 424 I HN 2.656 nan 8.210 nan 0.000 0.183 425 E N 1.270 121.440 120.200 -0.049 0.000 2.250 425 E HA 0.823 5.141 4.350 -0.052 0.000 0.269 425 E C -0.024 176.543 176.600 -0.055 0.000 1.018 425 E CA 0.923 57.292 56.400 -0.051 0.000 0.873 425 E CB 0.610 30.282 29.700 -0.046 0.000 1.134 425 E HN 2.506 nan 8.360 nan 0.000 0.403 426 E N -1.021 119.145 120.200 -0.057 0.000 2.355 426 E HA 0.614 4.933 4.350 -0.052 0.000 0.261 426 E C -0.153 176.412 176.600 -0.058 0.000 0.943 426 E CA -0.206 56.160 56.400 -0.056 0.000 0.806 426 E CB 0.860 30.527 29.700 -0.054 0.000 1.286 426 E HN 1.117 nan 8.360 nan 0.000 0.424 427 D N -0.454 119.913 120.400 -0.055 0.000 2.441 427 D HA 0.548 5.156 4.640 -0.052 0.000 0.221 427 D C 0.542 176.806 176.300 -0.061 0.000 1.156 427 D CA -0.060 53.907 54.000 -0.055 0.000 0.896 427 D CB -0.996 39.774 40.800 -0.049 0.000 1.028 427 D HN 1.186 nan 8.370 nan 0.000 0.509 428 F N 0.000 119.908 119.950 -0.070 0.000 2.286 428 F HA 0.000 4.496 4.527 -0.052 0.000 0.279 428 F CA 0.000 57.951 58.000 -0.082 0.000 1.383 428 F CB 0.000 38.946 39.000 -0.090 0.000 1.145 428 F HN 0.000 nan 8.300 nan 0.000 0.574