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 1efu_1_C DATA FIRST_RESID 9 DATA SEQUENCE KPHVNVGTIG HVDHGKTTLT AAITTVLAKT YGGAXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXTSHVE YDTPTRHYAH VDCPGHADYV KNMITGAAQM DGAILVVAAT DATA SEQUENCE DGPMPQTREH ILLGRQVGVP YIIVFLNKCD MVDDEELLEL VEMEVRELLS DATA SEQUENCE QYDFPGDDTP IVRGSALKAL EGDAEWEAKI LELAGFLDSY IPEPERAIDK DATA SEQUENCE PFLLPIEDVF SISGRGTVVT GRVERGIIKV GEEVEIVGIK ETQKSTCTGV DATA SEQUENCE EMFRKLLDEG RAGENVGVLL RGIKREEIER GQVLAKPGTI KPHTKFESEV DATA SEQUENCE YILSKDEGGR HTPFFKGYRP QFYFRTTDVT GTIELPEGVE MVMPGDNIKM DATA SEQUENCE VVTLIHPIAM DDGLRFAIRE GGRTVGAGVV AKVLS 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.604 176.600 0.007 0.000 0.988 9 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 9 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 10 P HA -0.059 nan 4.420 nan 0.000 0.266 10 P C -1.349 175.941 177.300 -0.017 0.000 1.186 10 P CA 0.259 63.348 63.100 -0.018 0.000 0.767 10 P CB 0.229 31.892 31.700 -0.061 0.000 0.820 11 H N 1.476 120.497 119.070 -0.082 0.000 2.587 11 H HA 0.542 5.094 4.556 -0.007 0.000 0.325 11 H C -1.238 174.020 175.328 -0.116 0.000 1.012 11 H CA -0.655 55.339 56.048 -0.090 0.000 1.213 11 H CB 0.717 30.475 29.762 -0.006 0.000 1.431 11 H HN 0.030 nan 8.280 nan 0.000 0.492 12 V N 5.052 124.624 119.914 -0.570 0.000 2.540 12 V HA 0.307 4.423 4.120 -0.007 0.000 0.302 12 V C -0.456 175.448 176.094 -0.317 0.000 1.035 12 V CA -1.045 61.077 62.300 -0.297 0.000 0.873 12 V CB 1.735 33.474 31.823 -0.140 0.000 0.992 12 V HN 0.856 nan 8.190 nan 0.000 0.428 13 N N 2.540 121.172 118.700 -0.113 0.000 2.425 13 N HA 0.659 5.395 4.740 -0.007 0.000 0.268 13 N C -0.536 174.972 175.510 -0.003 0.000 0.991 13 N CA -0.456 52.559 53.050 -0.059 0.000 0.931 13 N CB 2.042 40.548 38.487 0.031 0.000 1.130 13 N HN 0.670 nan 8.380 nan 0.000 0.493 14 V N -1.123 118.764 119.914 -0.045 0.000 3.126 14 V HA 1.047 5.162 4.120 -0.007 0.000 0.314 14 V C 0.278 176.218 176.094 -0.257 0.000 1.138 14 V CA -0.882 61.348 62.300 -0.116 0.000 1.034 14 V CB 1.649 33.385 31.823 -0.145 0.000 1.075 14 V HN 0.618 nan 8.190 nan 0.000 0.442 15 G N 0.111 108.711 108.800 -0.332 0.000 2.704 15 G HA2 0.684 4.639 3.960 -0.007 0.000 0.293 15 G HA3 0.684 4.639 3.960 -0.007 0.000 0.293 15 G C -0.777 173.911 174.900 -0.352 0.000 1.421 15 G CA -0.069 44.809 45.100 -0.371 0.000 0.870 15 G HN 1.293 nan 8.290 nan 0.000 0.492 16 T N -1.316 113.099 114.554 -0.231 0.000 2.794 16 T HA 0.655 5.000 4.350 -0.007 0.000 0.280 16 T C -0.720 173.899 174.700 -0.135 0.000 0.987 16 T CA -0.571 61.460 62.100 -0.114 0.000 0.993 16 T CB 1.917 70.820 68.868 0.058 0.000 0.939 16 T HN 0.614 nan 8.240 nan 0.000 0.449 17 I N 2.150 122.619 120.570 -0.169 0.000 2.447 17 I HA 0.781 4.947 4.170 -0.007 0.000 0.287 17 I C 0.009 175.929 176.117 -0.328 0.000 1.023 17 I CA 0.161 61.308 61.300 -0.254 0.000 1.083 17 I CB 1.136 38.990 38.000 -0.244 0.000 1.245 17 I HN 1.129 nan 8.210 nan 0.000 0.434 18 G N 5.141 113.621 108.800 -0.533 0.000 2.430 18 G HA2 0.176 4.131 3.960 -0.007 0.000 0.300 18 G HA3 0.176 4.131 3.960 -0.007 0.000 0.300 18 G C -1.671 172.983 174.900 -0.409 0.000 1.330 18 G CA -0.842 43.971 45.100 -0.480 0.000 0.813 18 G HN 0.752 nan 8.290 nan 0.000 0.487 19 H N 0.053 119.004 119.070 -0.198 0.000 2.732 19 H HA 0.233 4.785 4.556 -0.006 0.000 0.351 19 H C 2.090 177.345 175.328 -0.122 0.000 1.090 19 H CA 0.188 56.140 56.048 -0.160 0.000 1.431 19 H CB 1.652 31.060 29.762 -0.590 0.000 1.447 19 H HN 0.492 nan 8.280 nan 0.000 0.582 20 V N 1.748 121.427 119.914 -0.392 0.000 2.317 20 V HA -0.268 3.848 4.120 -0.007 0.000 0.251 20 V C 0.952 176.821 176.094 -0.376 0.000 1.065 20 V CA 2.152 64.243 62.300 -0.348 0.000 1.049 20 V CB -0.241 31.419 31.823 -0.271 0.000 0.651 20 V HN 0.744 nan 8.190 nan 0.000 0.450 21 D N -1.210 118.784 120.400 -0.677 0.000 2.358 21 D HA 0.114 4.750 4.640 -0.007 0.000 0.224 21 D C 1.413 177.764 176.300 0.086 0.000 1.123 21 D CA 0.364 54.218 54.000 -0.243 0.000 0.833 21 D CB -0.310 40.389 40.800 -0.168 0.000 0.946 21 D HN 0.713 nan 8.370 nan 0.000 0.505 22 H N -0.246 118.788 119.070 -0.059 0.000 2.539 22 H HA 0.229 4.780 4.556 -0.008 0.000 0.269 22 H C 0.849 176.191 175.328 0.023 0.000 0.980 22 H CA -0.089 55.984 56.048 0.041 0.000 1.152 22 H CB 0.767 30.597 29.762 0.113 0.000 1.407 22 H HN 0.137 nan 8.280 nan 0.000 0.564 23 G N 1.949 110.806 108.800 0.096 0.000 2.370 23 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.268 23 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.268 23 G C 0.689 175.610 174.900 0.035 0.000 1.122 23 G CA 0.156 45.283 45.100 0.046 0.000 0.963 23 G HN 0.376 nan 8.290 nan 0.000 0.500 24 K N -0.888 119.523 120.400 0.018 0.000 2.098 24 K HA 0.022 4.338 4.320 -0.007 0.000 0.203 24 K C 2.567 179.152 176.600 -0.024 0.000 1.051 24 K CA 1.493 57.784 56.287 0.006 0.000 0.957 24 K CB -0.052 32.450 32.500 0.005 0.000 0.738 24 K HN 0.314 nan 8.250 nan 0.000 0.447 25 T N 0.904 115.439 114.554 -0.032 0.000 2.867 25 T HA -0.081 4.264 4.350 -0.007 0.000 0.268 25 T C 1.823 176.477 174.700 -0.077 0.000 1.057 25 T CA 1.481 63.548 62.100 -0.054 0.000 1.136 25 T CB -0.165 68.678 68.868 -0.042 0.000 0.874 25 T HN 0.244 nan 8.240 nan 0.000 0.466 26 T N 2.581 117.097 114.554 -0.062 0.000 2.737 26 T HA -0.009 4.337 4.350 -0.007 0.000 0.265 26 T C 1.912 176.548 174.700 -0.107 0.000 1.038 26 T CA 0.848 62.906 62.100 -0.070 0.000 1.144 26 T CB -0.475 68.366 68.868 -0.045 0.000 0.866 26 T HN 0.179 nan 8.240 nan 0.000 0.434 27 L N 1.415 122.562 121.223 -0.126 0.000 2.042 27 L HA -0.089 4.247 4.340 -0.007 0.000 0.210 27 L C 2.350 179.054 176.870 -0.277 0.000 1.076 27 L CA 1.918 56.608 54.840 -0.249 0.000 0.749 27 L CB -1.379 40.463 42.059 -0.361 0.000 0.893 27 L HN 0.161 nan 8.230 nan 0.000 0.432 28 T N -0.018 114.397 114.554 -0.231 0.000 2.833 28 T HA -0.117 4.229 4.350 -0.007 0.000 0.269 28 T C 1.893 176.432 174.700 -0.268 0.000 1.054 28 T CA 1.248 63.161 62.100 -0.312 0.000 1.135 28 T CB -0.479 68.154 68.868 -0.392 0.000 0.869 28 T HN 0.573 nan 8.240 nan 0.000 0.466 29 A N 1.393 124.101 122.820 -0.187 0.000 1.897 29 A HA 0.274 4.589 4.320 -0.007 0.000 0.215 29 A C 2.652 180.147 177.584 -0.148 0.000 1.181 29 A CA 1.553 53.506 52.037 -0.140 0.000 0.620 29 A CB -1.064 17.877 19.000 -0.099 0.000 0.821 29 A HN 0.483 nan 8.150 nan 0.000 0.443 30 A N 0.014 122.739 122.820 -0.159 0.000 1.978 30 A HA -0.087 4.229 4.320 -0.007 0.000 0.220 30 A C 2.075 179.543 177.584 -0.193 0.000 1.170 30 A CA 1.498 53.449 52.037 -0.144 0.000 0.636 30 A CB -0.625 18.297 19.000 -0.129 0.000 0.810 30 A HN 0.526 nan 8.150 nan 0.000 0.448 31 I N 0.142 120.531 120.570 -0.302 0.000 2.202 31 I HA -0.235 3.930 4.170 -0.007 0.000 0.242 31 I C 2.926 178.806 176.117 -0.395 0.000 1.091 31 I CA 1.866 62.902 61.300 -0.440 0.000 1.368 31 I CB -0.880 36.673 38.000 -0.745 0.000 1.058 31 I HN 0.553 nan 8.210 nan 0.000 0.410 32 T N -1.803 112.566 114.554 -0.308 0.000 2.701 32 T HA -0.163 4.183 4.350 -0.007 0.000 0.263 32 T C 1.893 176.555 174.700 -0.062 0.000 1.040 32 T CA 1.945 63.971 62.100 -0.124 0.000 1.147 32 T CB -1.092 67.755 68.868 -0.036 0.000 0.865 32 T HN 0.210 nan 8.240 nan 0.000 0.426 33 T N 2.005 116.516 114.554 -0.071 0.000 2.635 33 T HA -0.108 4.238 4.350 -0.007 0.000 0.267 33 T C 2.145 176.821 174.700 -0.040 0.000 1.040 33 T CA 1.654 63.728 62.100 -0.044 0.000 1.156 33 T CB -0.817 68.023 68.868 -0.047 0.000 0.863 33 T HN 0.257 nan 8.240 nan 0.000 0.430 34 V N 1.250 121.128 119.914 -0.060 0.000 2.358 34 V HA -0.060 4.055 4.120 -0.007 0.000 0.246 34 V C 2.488 178.559 176.094 -0.038 0.000 1.047 34 V CA 1.326 63.595 62.300 -0.053 0.000 1.035 34 V CB -0.654 31.136 31.823 -0.054 0.000 0.658 34 V HN 0.431 nan 8.190 nan 0.000 0.452 35 L N -0.156 121.064 121.223 -0.005 0.000 2.141 35 L HA -0.107 4.229 4.340 -0.007 0.000 0.209 35 L C 2.682 179.642 176.870 0.151 0.000 1.094 35 L CA 1.277 56.195 54.840 0.131 0.000 0.763 35 L CB -0.724 41.422 42.059 0.146 0.000 0.908 35 L HN 0.370 nan 8.230 nan 0.000 0.437 36 A N 1.567 124.434 122.820 0.079 0.000 1.841 36 A HA -0.233 4.083 4.320 -0.007 0.000 0.214 36 A C 2.304 179.910 177.584 0.038 0.000 1.195 36 A CA 1.948 54.030 52.037 0.076 0.000 0.611 36 A CB -0.481 18.548 19.000 0.049 0.000 0.835 36 A HN 0.488 nan 8.150 nan 0.000 0.443 37 K N -1.097 119.300 120.400 -0.004 0.000 2.209 37 K HA -0.089 4.227 4.320 -0.007 0.000 0.204 37 K C 1.607 178.161 176.600 -0.077 0.000 1.048 37 K CA 1.927 58.196 56.287 -0.030 0.000 0.940 37 K CB -0.637 31.841 32.500 -0.036 0.000 0.729 37 K HN 0.313 nan 8.250 nan 0.000 0.451 38 T N -0.190 114.277 114.554 -0.146 0.000 2.894 38 T HA -0.012 4.334 4.350 -0.007 0.000 0.258 38 T C 0.787 175.232 174.700 -0.424 0.000 1.043 38 T CA 0.950 62.839 62.100 -0.351 0.000 1.141 38 T CB -0.145 68.381 68.868 -0.571 0.000 0.873 38 T HN 0.289 nan 8.240 nan 0.000 0.449 39 Y N 0.386 120.699 120.300 0.023 0.000 2.430 39 Y HA 0.507 5.053 4.550 -0.007 0.000 0.248 39 Y C 1.334 177.253 175.900 0.032 0.000 1.108 39 Y CA -0.587 57.531 58.100 0.031 0.000 1.264 39 Y CB 0.991 39.479 38.460 0.046 0.000 1.172 39 Y HN 0.248 nan 8.280 nan 0.000 0.520 40 G N -0.563 108.325 108.800 0.147 0.000 2.681 40 G HA2 0.385 4.341 3.960 -0.007 0.000 0.232 40 G HA3 0.385 4.341 3.960 -0.007 0.000 0.232 40 G C 0.220 175.169 174.900 0.083 0.000 3.566 40 G CA -0.159 45.002 45.100 0.101 0.000 0.726 40 G HN 0.474 nan 8.290 nan 0.000 0.465 41 G N -1.386 107.448 108.800 0.057 0.000 4.665 41 G HA2 0.754 4.710 3.960 -0.007 0.000 0.219 41 G HA3 0.754 4.710 3.960 -0.007 0.000 0.219 41 G C 0.155 175.072 174.900 0.028 0.000 0.664 41 G CA 1.807 46.935 45.100 0.047 0.000 0.907 41 G HN 2.248 nan 8.290 nan 0.000 0.689 65 S N 4.897 120.651 115.700 0.090 0.000 2.610 65 S HA 0.798 5.264 4.470 -0.007 0.000 0.273 65 S C -0.063 174.646 174.600 0.181 0.000 1.274 65 S CA -0.439 57.838 58.200 0.127 0.000 1.023 65 S CB 0.833 64.067 63.200 0.057 0.000 0.962 65 S HN 0.969 nan 8.310 nan 0.000 0.523 66 H N -0.578 118.517 119.070 0.042 0.000 2.906 66 H HA 0.811 5.363 4.556 -0.007 0.000 0.337 66 H C -1.365 173.990 175.328 0.046 0.000 1.257 66 H CA -1.165 54.919 56.048 0.059 0.000 1.192 66 H CB 0.765 30.567 29.762 0.067 0.000 1.912 66 H HN 0.533 nan 8.280 nan 0.000 0.573 67 V N -0.108 119.737 119.914 -0.115 0.000 3.126 67 V HA 0.437 4.553 4.120 -0.007 0.000 0.314 67 V C -0.394 175.656 176.094 -0.074 0.000 1.138 67 V CA -0.856 61.350 62.300 -0.158 0.000 1.034 67 V CB 2.146 33.928 31.823 -0.068 0.000 1.075 67 V HN 0.833 nan 8.190 nan 0.000 0.442 68 E N 0.628 120.802 120.200 -0.043 0.000 2.356 68 E HA 0.693 5.039 4.350 -0.007 0.000 0.275 68 E C -2.085 174.557 176.600 0.070 0.000 0.904 68 E CA -0.597 55.759 56.400 -0.073 0.000 0.757 68 E CB 2.950 32.719 29.700 0.115 0.000 1.232 68 E HN 0.708 nan 8.360 nan 0.000 0.442 69 Y N -1.453 118.910 120.300 0.104 0.000 2.689 69 Y HA 0.580 5.125 4.550 -0.008 0.000 0.333 69 Y C -1.400 174.644 175.900 0.241 0.000 1.208 69 Y CA -1.152 57.040 58.100 0.152 0.000 1.055 69 Y CB 1.400 39.915 38.460 0.092 0.000 1.304 69 Y HN 0.230 nan 8.280 nan 0.000 0.455 70 D N 0.479 121.150 120.400 0.451 0.000 2.645 70 D HA 0.519 5.155 4.640 -0.007 0.000 0.228 70 D C -0.949 175.508 176.300 0.262 0.000 1.148 70 D CA -0.452 53.749 54.000 0.335 0.000 0.860 70 D CB 2.978 43.917 40.800 0.231 0.000 1.548 70 D HN 0.790 nan 8.370 nan 0.000 0.460 71 T N -2.945 111.693 114.554 0.140 0.000 2.905 71 T HA 0.460 4.806 4.350 -0.007 0.000 0.283 71 T C -2.031 172.515 174.700 -0.257 0.000 1.031 71 T CA -1.439 60.587 62.100 -0.124 0.000 1.002 71 T CB 2.083 70.961 68.868 0.017 0.000 1.200 71 T HN 0.052 nan 8.240 nan 0.000 0.560 72 P HA 0.044 nan 4.420 nan 0.000 0.230 72 P C 0.872 178.091 177.300 -0.135 0.000 1.158 72 P CA 0.697 63.631 63.100 -0.276 0.000 0.769 72 P CB -0.115 31.404 31.700 -0.302 0.000 0.807 73 T N -1.884 112.598 114.554 -0.120 0.000 3.038 73 T HA 0.191 4.537 4.350 -0.007 0.000 0.244 73 T C 1.034 175.684 174.700 -0.084 0.000 1.016 73 T CA 0.251 62.306 62.100 -0.075 0.000 1.098 73 T CB 0.388 69.224 68.868 -0.054 0.000 0.954 73 T HN 0.126 nan 8.240 nan 0.000 0.469 74 R N 0.165 120.594 120.500 -0.120 0.000 2.888 74 R HA 0.520 4.855 4.340 -0.007 0.000 0.264 74 R C -1.156 174.995 176.300 -0.249 0.000 1.045 74 R CA -0.831 55.120 56.100 -0.249 0.000 0.962 74 R CB 1.589 31.577 30.300 -0.520 0.000 1.210 74 R HN 0.256 nan 8.270 nan 0.000 0.479 75 H N 0.995 119.823 119.070 -0.403 0.000 2.469 75 H HA 0.347 4.899 4.556 -0.007 0.000 0.342 75 H C -1.283 173.707 175.328 -0.564 0.000 1.115 75 H CA -0.526 55.354 56.048 -0.279 0.000 1.204 75 H CB 1.040 30.764 29.762 -0.064 0.000 1.492 75 H HN 0.465 nan 8.280 nan 0.000 0.499 76 Y N 1.554 121.384 120.300 -0.783 0.000 2.393 76 Y HA 0.482 5.028 4.550 -0.007 0.000 0.341 76 Y C -0.182 175.178 175.900 -0.900 0.000 0.988 76 Y CA -0.779 56.823 58.100 -0.831 0.000 1.078 76 Y CB 2.123 40.110 38.460 -0.788 0.000 1.203 76 Y HN 0.707 nan 8.280 nan 0.000 0.453 77 A N 2.622 125.175 122.820 -0.445 0.000 2.273 77 A HA 0.463 4.778 4.320 -0.007 0.000 0.315 77 A C -1.546 176.031 177.584 -0.011 0.000 1.256 77 A CA -0.512 51.458 52.037 -0.112 0.000 0.851 77 A CB -0.069 18.935 19.000 0.008 0.000 1.172 77 A HN 0.939 nan 8.150 nan 0.000 0.508 78 H N 1.978 121.023 119.070 -0.042 0.000 2.511 78 H HA 0.605 5.157 4.556 -0.007 0.000 0.328 78 H C -0.267 175.120 175.328 0.099 0.000 1.044 78 H CA -0.635 55.417 56.048 0.007 0.000 1.212 78 H CB 1.294 31.074 29.762 0.030 0.000 1.428 78 H HN 0.671 nan 8.280 nan 0.000 0.483 79 V N 1.687 121.739 119.914 0.230 0.000 3.166 79 V HA 0.525 4.641 4.120 -0.007 0.000 0.317 79 V C -0.572 175.639 176.094 0.195 0.000 1.136 79 V CA -0.936 61.505 62.300 0.235 0.000 1.035 79 V CB 2.062 33.979 31.823 0.157 0.000 1.110 79 V HN 0.779 nan 8.190 nan 0.000 0.450 80 D N -0.138 120.354 120.400 0.153 0.000 2.342 80 D HA 0.600 5.236 4.640 -0.007 0.000 0.243 80 D C -1.002 175.331 176.300 0.056 0.000 1.019 80 D CA -0.285 53.769 54.000 0.090 0.000 0.864 80 D CB 1.764 42.615 40.800 0.085 0.000 1.315 80 D HN 0.882 nan 8.370 nan 0.000 0.468 81 C N 5.547 124.838 119.300 -0.015 0.000 2.376 81 C HA 0.341 4.797 4.460 -0.007 0.000 0.341 81 C C -1.095 173.886 174.990 -0.015 0.000 1.106 81 C CA -0.972 58.031 59.018 -0.024 0.000 1.631 81 C CB 0.054 27.673 27.740 -0.202 0.000 1.649 81 C HN 0.534 nan 8.230 nan 0.000 0.456 82 P HA 0.106 nan 4.420 nan 0.000 0.231 82 P C 0.601 177.937 177.300 0.060 0.000 1.168 82 P CA 1.041 64.156 63.100 0.025 0.000 0.779 82 P CB 0.709 32.424 31.700 0.026 0.000 0.844 83 G N -1.135 107.715 108.800 0.083 0.000 2.638 83 G HA2 0.239 4.195 3.960 -0.007 0.000 0.302 83 G HA3 0.239 4.195 3.960 -0.007 0.000 0.302 83 G C 0.037 175.032 174.900 0.159 0.000 1.365 83 G CA -0.229 44.940 45.100 0.116 0.000 0.987 83 G HN -0.067 nan 8.290 nan 0.000 0.495 84 H N 2.238 121.361 119.070 0.088 0.000 2.261 84 H HA -0.072 4.479 4.556 -0.008 0.000 0.301 84 H C 2.611 178.003 175.328 0.107 0.000 1.067 84 H CA 2.203 58.312 56.048 0.102 0.000 1.297 84 H CB -0.093 29.712 29.762 0.072 0.000 1.377 84 H HN 0.505 nan 8.280 nan 0.000 0.492 85 A N 0.577 123.600 122.820 0.338 0.000 1.940 85 A HA -0.206 4.109 4.320 -0.007 0.000 0.219 85 A C 2.287 179.924 177.584 0.088 0.000 1.176 85 A CA 1.968 54.138 52.037 0.220 0.000 0.631 85 A CB -0.704 18.385 19.000 0.148 0.000 0.814 85 A HN 0.592 nan 8.150 nan 0.000 0.446 86 D N -1.885 118.560 120.400 0.074 0.000 2.097 86 D HA -0.213 4.422 4.640 -0.007 0.000 0.195 86 D C 1.751 178.036 176.300 -0.026 0.000 0.989 86 D CA 1.662 55.669 54.000 0.011 0.000 0.827 86 D CB -0.314 40.508 40.800 0.037 0.000 0.966 86 D HN 0.499 nan 8.370 nan 0.000 0.456 87 Y N 0.448 120.713 120.300 -0.059 0.000 2.145 87 Y HA -0.163 4.382 4.550 -0.007 0.000 0.286 87 Y C 2.182 178.024 175.900 -0.096 0.000 1.145 87 Y CA 1.333 59.382 58.100 -0.084 0.000 1.148 87 Y CB -0.513 37.884 38.460 -0.105 0.000 0.981 87 Y HN -0.093 nan 8.280 nan 0.000 0.507 88 V N 1.240 121.064 119.914 -0.150 0.000 2.332 88 V HA -0.361 3.754 4.120 -0.007 0.000 0.248 88 V C 2.488 178.451 176.094 -0.217 0.000 1.055 88 V CA 2.415 64.620 62.300 -0.158 0.000 1.038 88 V CB -0.782 31.046 31.823 0.008 0.000 0.651 88 V HN 0.418 nan 8.190 nan 0.000 0.450 89 K N 0.232 120.506 120.400 -0.211 0.000 2.032 89 K HA -0.238 4.078 4.320 -0.007 0.000 0.209 89 K C 2.016 178.381 176.600 -0.392 0.000 1.048 89 K CA 2.032 58.113 56.287 -0.342 0.000 0.927 89 K CB -0.234 31.997 32.500 -0.449 0.000 0.712 89 K HN 0.465 nan 8.250 nan 0.000 0.441 90 N N 0.974 119.449 118.700 -0.375 0.000 2.120 90 N HA -0.191 4.545 4.740 -0.007 0.000 0.188 90 N C 1.744 177.038 175.510 -0.360 0.000 1.024 90 N CA 1.316 54.161 53.050 -0.342 0.000 0.852 90 N CB -0.376 37.927 38.487 -0.306 0.000 1.003 90 N HN 0.309 nan 8.380 nan 0.000 0.424 91 M N 0.903 120.189 119.600 -0.525 0.000 2.149 91 M HA -0.079 4.397 4.480 -0.007 0.000 0.261 91 M C 1.689 177.853 176.300 -0.227 0.000 1.064 91 M CA 1.242 56.288 55.300 -0.424 0.000 1.102 91 M CB -0.334 31.937 32.600 -0.547 0.000 1.369 91 M HN 0.067 nan 8.290 nan 0.000 0.408 92 I N 0.055 120.503 120.570 -0.203 0.000 2.233 92 I HA -0.228 3.938 4.170 -0.007 0.000 0.243 92 I C 1.899 177.938 176.117 -0.131 0.000 1.093 92 I CA 1.685 62.906 61.300 -0.133 0.000 1.380 92 I CB -0.620 37.339 38.000 -0.068 0.000 1.067 92 I HN 0.349 nan 8.210 nan 0.000 0.413 93 T N -1.173 113.293 114.554 -0.147 0.000 3.227 93 T HA 0.140 4.486 4.350 -0.007 0.000 0.257 93 T C 1.474 176.112 174.700 -0.103 0.000 1.162 93 T CA 0.520 62.554 62.100 -0.110 0.000 1.051 93 T CB -0.244 68.541 68.868 -0.138 0.000 0.953 93 T HN 0.611 nan 8.240 nan 0.000 0.535 94 G N 0.612 109.344 108.800 -0.113 0.000 2.159 94 G HA2 -0.068 3.888 3.960 -0.007 0.000 0.256 94 G HA3 -0.068 3.888 3.960 -0.007 0.000 0.256 94 G C 0.302 175.148 174.900 -0.089 0.000 0.977 94 G CA -0.277 44.771 45.100 -0.087 0.000 0.652 94 G HN 1.333 nan 8.290 nan 0.000 0.531 95 A N -0.905 121.842 122.820 -0.121 0.000 3.215 95 A HA 0.998 5.313 4.320 -0.007 0.000 0.320 95 A C 0.850 178.355 177.584 -0.131 0.000 1.084 95 A CA 1.148 53.117 52.037 -0.113 0.000 0.969 95 A CB -0.211 18.724 19.000 -0.108 0.000 1.064 95 A HN 2.027 nan 8.150 nan 0.000 0.513 96 A N -0.536 122.222 122.820 -0.104 0.000 2.171 96 A HA 0.394 4.710 4.320 -0.007 0.000 0.122 96 A C -0.119 177.489 177.584 0.040 0.000 1.489 96 A CA 0.181 52.181 52.037 -0.061 0.000 2.492 96 A CB -0.157 18.654 19.000 -0.315 0.000 2.559 96 A HN 0.494 nan 8.150 nan 0.000 1.176 97 Q N 0.582 120.405 119.800 0.039 0.000 2.426 97 Q HA -0.177 4.159 4.340 -0.007 0.000 0.359 97 Q C -0.360 175.713 176.000 0.121 0.000 1.381 97 Q CA 0.989 56.843 55.803 0.085 0.000 1.060 97 Q CB -1.434 27.332 28.738 0.048 0.000 1.253 97 Q HN 0.729 nan 8.270 nan 0.000 0.363 98 M N 0.864 120.571 119.600 0.178 0.000 2.248 98 M HA -0.041 4.435 4.480 -0.007 0.000 0.345 98 M C 1.072 177.437 176.300 0.109 0.000 1.243 98 M CA 0.546 55.916 55.300 0.116 0.000 1.090 98 M CB 0.349 32.987 32.600 0.063 0.000 1.683 98 M HN 0.063 nan 8.290 nan 0.000 0.450 99 D N 1.470 121.934 120.400 0.106 0.000 2.366 99 D HA 0.225 4.860 4.640 -0.007 0.000 0.205 99 D C 0.667 177.102 176.300 0.224 0.000 1.022 99 D CA 0.511 54.603 54.000 0.153 0.000 0.868 99 D CB 0.742 41.615 40.800 0.122 0.000 0.953 99 D HN 0.789 nan 8.370 nan 0.000 0.514 100 G N -0.329 108.565 108.800 0.156 0.000 2.667 100 G HA2 0.579 4.535 3.960 -0.007 0.000 0.294 100 G HA3 0.579 4.535 3.960 -0.007 0.000 0.294 100 G C -1.790 173.137 174.900 0.046 0.000 1.467 100 G CA -0.272 44.935 45.100 0.179 0.000 0.852 100 G HN 0.134 nan 8.290 nan 0.000 0.521 101 A N 0.414 123.241 122.820 0.012 0.000 2.401 101 A HA 0.862 5.178 4.320 -0.007 0.000 0.310 101 A C -0.748 176.785 177.584 -0.084 0.000 1.075 101 A CA -0.690 51.292 52.037 -0.092 0.000 0.746 101 A CB 1.238 20.146 19.000 -0.152 0.000 1.277 101 A HN 0.770 nan 8.150 nan 0.000 0.425 102 I N 2.065 122.567 120.570 -0.113 0.000 2.355 102 I HA 0.266 4.432 4.170 -0.007 0.000 0.288 102 I C -0.787 175.289 176.117 -0.067 0.000 0.999 102 I CA -0.645 60.614 61.300 -0.067 0.000 1.163 102 I CB 1.522 39.489 38.000 -0.056 0.000 1.316 102 I HN 0.530 nan 8.210 nan 0.000 0.454 103 L N 8.915 130.106 121.223 -0.053 0.000 2.261 103 L HA 0.366 4.702 4.340 -0.007 0.000 0.289 103 L C -0.370 176.522 176.870 0.038 0.000 1.059 103 L CA -0.094 54.719 54.840 -0.045 0.000 0.816 103 L CB 1.073 43.093 42.059 -0.065 0.000 1.191 103 L HN 0.321 nan 8.230 nan 0.000 0.431 104 V N 6.525 126.473 119.914 0.057 0.000 2.368 104 V HA 0.377 4.492 4.120 -0.007 0.000 0.266 104 V C -0.078 176.121 176.094 0.174 0.000 1.045 104 V CA -0.495 61.896 62.300 0.152 0.000 0.899 104 V CB 1.091 33.002 31.823 0.147 0.000 1.006 104 V HN 0.516 nan 8.190 nan 0.000 0.470 105 V N 4.486 124.482 119.914 0.137 0.000 2.407 105 V HA 0.629 4.744 4.120 -0.007 0.000 0.291 105 V C 0.495 176.538 176.094 -0.084 0.000 1.018 105 V CA -0.719 61.666 62.300 0.141 0.000 0.842 105 V CB 1.816 33.693 31.823 0.091 0.000 0.996 105 V HN 0.923 nan 8.190 nan 0.000 0.426 106 A N 3.799 126.370 122.820 -0.415 0.000 2.396 106 A HA 0.610 4.926 4.320 -0.007 0.000 0.279 106 A C 1.480 178.857 177.584 -0.344 0.000 1.165 106 A CA 0.351 52.115 52.037 -0.456 0.000 0.824 106 A CB 0.620 19.229 19.000 -0.651 0.000 1.100 106 A HN 1.391 nan 8.150 nan 0.000 0.516 107 A N 2.754 125.442 122.820 -0.219 0.000 2.131 107 A HA -0.058 4.257 4.320 -0.007 0.000 0.220 107 A C 1.972 179.482 177.584 -0.123 0.000 1.158 107 A CA 2.200 54.148 52.037 -0.148 0.000 0.665 107 A CB -0.771 18.151 19.000 -0.131 0.000 0.795 107 A HN 0.778 nan 8.150 nan 0.000 0.460 108 T N -0.330 114.135 114.554 -0.147 0.000 2.833 108 T HA -0.090 4.256 4.350 -0.007 0.000 0.269 108 T C 1.181 175.841 174.700 -0.067 0.000 1.054 108 T CA 1.609 63.650 62.100 -0.099 0.000 1.135 108 T CB -0.152 68.657 68.868 -0.098 0.000 0.869 108 T HN 0.509 nan 8.240 nan 0.000 0.466 109 D N -0.501 119.848 120.400 -0.086 0.000 2.856 109 D HA 0.383 5.019 4.640 -0.007 0.000 0.283 109 D C 1.278 177.577 176.300 -0.001 0.000 1.051 109 D CA 1.226 55.221 54.000 -0.008 0.000 0.965 109 D CB 0.334 41.192 40.800 0.098 0.000 1.201 109 D HN 0.464 nan 8.370 nan 0.000 0.474 110 G N 0.653 109.442 108.800 -0.019 0.000 2.582 110 G HA2 -0.145 3.811 3.960 -0.007 0.000 0.222 110 G HA3 -0.145 3.811 3.960 -0.007 0.000 0.222 110 G C -2.651 172.299 174.900 0.083 0.000 1.311 110 G CA -0.968 44.138 45.100 0.009 0.000 0.915 110 G HN 0.012 nan 8.290 nan 0.000 0.528 111 P HA 0.395 nan 4.420 nan 0.000 0.268 111 P C 0.212 177.535 177.300 0.040 0.000 1.205 111 P CA 0.094 63.238 63.100 0.073 0.000 0.771 111 P CB 0.412 32.140 31.700 0.047 0.000 0.858 112 M N 4.610 124.208 119.600 -0.003 0.000 2.494 112 M HA 0.301 4.777 4.480 -0.007 0.000 0.300 112 M C -1.563 174.678 176.300 -0.099 0.000 1.189 112 M CA -2.814 52.423 55.300 -0.107 0.000 0.982 112 M CB -0.090 32.336 32.600 -0.290 0.000 1.534 112 M HN 0.115 nan 8.290 nan 0.000 0.488 113 P HA -0.153 nan 4.420 nan 0.000 0.217 113 P C 1.213 178.438 177.300 -0.125 0.000 1.150 113 P CA 1.206 64.256 63.100 -0.084 0.000 0.832 113 P CB 0.031 31.688 31.700 -0.072 0.000 0.787 114 Q N -1.128 118.552 119.800 -0.200 0.000 2.488 114 Q HA -0.040 4.295 4.340 -0.007 0.000 0.211 114 Q C 1.165 176.830 176.000 -0.557 0.000 0.967 114 Q CA 1.289 56.895 55.803 -0.328 0.000 0.926 114 Q CB -1.579 26.962 28.738 -0.329 0.000 0.992 114 Q HN 0.156 nan 8.270 nan 0.000 0.506 115 T N 1.647 116.005 114.554 -0.327 0.000 2.833 115 T HA -0.086 4.260 4.350 -0.007 0.000 0.269 115 T C 1.705 176.315 174.700 -0.149 0.000 1.054 115 T CA 1.332 63.335 62.100 -0.162 0.000 1.135 115 T CB -0.067 68.812 68.868 0.020 0.000 0.869 115 T HN 0.446 nan 8.240 nan 0.000 0.466 116 R N 0.930 121.353 120.500 -0.128 0.000 2.081 116 R HA -0.081 4.255 4.340 -0.007 0.000 0.235 116 R C 2.390 178.532 176.300 -0.264 0.000 1.131 116 R CA 1.305 57.340 56.100 -0.108 0.000 0.960 116 R CB -0.218 30.114 30.300 0.053 0.000 0.856 116 R HN 0.373 nan 8.270 nan 0.000 0.436 117 E N -0.401 119.664 120.200 -0.224 0.000 2.152 117 E HA -0.101 4.245 4.350 -0.007 0.000 0.192 117 E C 1.684 178.231 176.600 -0.088 0.000 0.983 117 E CA 1.048 57.352 56.400 -0.161 0.000 0.818 117 E CB -0.093 29.521 29.700 -0.144 0.000 0.758 117 E HN 0.541 nan 8.360 nan 0.000 0.467 118 H N -0.356 118.665 119.070 -0.081 0.000 2.299 118 H HA -0.017 4.535 4.556 -0.006 0.000 0.302 118 H C 1.954 177.191 175.328 -0.151 0.000 1.078 118 H CA 1.154 57.148 56.048 -0.090 0.000 1.323 118 H CB 0.026 29.742 29.762 -0.078 0.000 1.381 118 H HN 0.087 nan 8.280 nan 0.000 0.498 119 I N 0.319 120.829 120.570 -0.099 0.000 2.315 119 I HA -0.223 3.943 4.170 -0.007 0.000 0.248 119 I C 2.265 178.239 176.117 -0.238 0.000 1.117 119 I CA 0.551 61.728 61.300 -0.205 0.000 1.404 119 I CB -0.048 37.813 38.000 -0.232 0.000 1.071 119 I HN 0.203 nan 8.210 nan 0.000 0.419 120 L N 0.676 121.643 121.223 -0.428 0.000 2.083 120 L HA -0.201 4.135 4.340 -0.007 0.000 0.209 120 L C 2.212 179.088 176.870 0.011 0.000 1.083 120 L CA 1.689 56.366 54.840 -0.271 0.000 0.752 120 L CB -0.608 41.320 42.059 -0.218 0.000 0.899 120 L HN 0.182 nan 8.230 nan 0.000 0.433 121 L N -0.337 120.905 121.223 0.033 0.000 2.056 121 L HA 0.030 4.365 4.340 -0.007 0.000 0.207 121 L C 2.348 179.205 176.870 -0.022 0.000 1.078 121 L CA 2.059 56.894 54.840 -0.007 0.000 0.749 121 L CB -1.457 40.536 42.059 -0.110 0.000 0.901 121 L HN 0.265 nan 8.230 nan 0.000 0.433 122 G N -0.806 107.982 108.800 -0.020 0.000 2.442 122 G HA2 -0.367 3.589 3.960 -0.007 0.000 0.219 122 G HA3 -0.367 3.589 3.960 -0.007 0.000 0.219 122 G C 1.767 176.813 174.900 0.244 0.000 1.141 122 G CA 0.955 46.079 45.100 0.041 0.000 0.763 122 G HN 0.408 nan 8.290 nan 0.000 0.554 123 R N 0.344 121.011 120.500 0.279 0.000 2.062 123 R HA 0.040 4.375 4.340 -0.007 0.000 0.229 123 R C 2.681 179.052 176.300 0.119 0.000 1.128 123 R CA 1.722 57.945 56.100 0.206 0.000 0.960 123 R CB -0.570 29.847 30.300 0.195 0.000 0.855 123 R HN 0.456 nan 8.270 nan 0.000 0.432 124 Q N -0.224 119.649 119.800 0.121 0.000 2.050 124 Q HA -0.118 4.218 4.340 -0.007 0.000 0.202 124 Q C 1.945 178.006 176.000 0.103 0.000 0.980 124 Q CA 2.062 57.935 55.803 0.117 0.000 0.840 124 Q CB -0.139 28.695 28.738 0.160 0.000 0.898 124 Q HN 0.437 nan 8.270 nan 0.000 0.424 125 V N -2.793 117.183 119.914 0.103 0.000 3.380 125 V HA 0.247 4.363 4.120 -0.007 0.000 0.268 125 V C 1.056 177.217 176.094 0.112 0.000 1.168 125 V CA 0.853 63.230 62.300 0.128 0.000 1.156 125 V CB -0.693 31.272 31.823 0.236 0.000 0.785 125 V HN 0.463 nan 8.190 nan 0.000 0.487 126 G N 0.194 109.054 108.800 0.100 0.000 2.256 126 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.272 126 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.272 126 G C 0.042 174.997 174.900 0.091 0.000 1.076 126 G CA 0.287 45.433 45.100 0.076 0.000 0.882 126 G HN 1.318 nan 8.290 nan 0.000 0.497 127 V N 1.725 121.719 119.914 0.133 0.000 2.493 127 V HA 0.256 4.372 4.120 -0.007 0.000 0.292 127 V C 0.542 176.711 176.094 0.126 0.000 1.016 127 V CA -0.556 61.813 62.300 0.114 0.000 1.097 127 V CB 1.037 32.895 31.823 0.058 0.000 0.947 127 V HN 0.310 nan 8.190 nan 0.000 0.479 128 P HA -0.093 nan 4.420 nan 0.000 0.216 128 P C -0.407 176.539 177.300 -0.591 0.000 1.150 128 P CA 1.374 64.303 63.100 -0.285 0.000 0.837 128 P CB 0.122 31.666 31.700 -0.259 0.000 0.786 129 Y N -1.403 118.996 120.300 0.164 0.000 2.524 129 Y HA 0.583 5.130 4.550 -0.006 0.000 0.347 129 Y C 0.318 176.296 175.900 0.130 0.000 1.005 129 Y CA -1.087 57.129 58.100 0.194 0.000 1.025 129 Y CB 1.930 40.469 38.460 0.132 0.000 1.275 129 Y HN -0.313 nan 8.280 nan 0.000 0.460 130 I N 3.885 124.610 120.570 0.259 0.000 2.534 130 I HA 0.448 4.614 4.170 -0.007 0.000 0.288 130 I C -1.097 175.021 176.117 0.000 0.000 1.077 130 I CA -0.507 60.781 61.300 -0.019 0.000 1.051 130 I CB 1.847 39.607 38.000 -0.400 0.000 1.234 130 I HN 0.463 nan 8.210 nan 0.000 0.425 131 I N 6.065 126.607 120.570 -0.048 0.000 2.562 131 I HA 0.496 4.662 4.170 -0.007 0.000 0.301 131 I C -0.543 175.514 176.117 -0.100 0.000 1.003 131 I CA -1.003 60.205 61.300 -0.154 0.000 1.127 131 I CB 2.371 40.316 38.000 -0.091 0.000 1.304 131 I HN 0.145 nan 8.210 nan 0.000 0.446 132 V N 5.196 125.038 119.914 -0.120 0.000 2.547 132 V HA 0.365 4.481 4.120 -0.007 0.000 0.299 132 V C -0.889 175.234 176.094 0.049 0.000 1.040 132 V CA -0.663 61.612 62.300 -0.041 0.000 0.913 132 V CB 1.829 33.606 31.823 -0.077 0.000 0.992 132 V HN 0.452 nan 8.190 nan 0.000 0.449 133 F N 5.113 125.034 119.950 -0.049 0.000 2.445 133 F HA 0.576 5.098 4.527 -0.007 0.000 0.348 133 F C -0.461 175.326 175.800 -0.021 0.000 1.125 133 F CA -0.693 57.295 58.000 -0.020 0.000 0.983 133 F CB 1.037 40.032 39.000 -0.008 0.000 1.198 133 F HN 0.304 nan 8.300 nan 0.000 0.436 134 L N 6.080 126.987 121.223 -0.526 0.000 2.283 134 L HA 0.238 4.574 4.340 -0.007 0.000 0.287 134 L C 0.065 176.549 176.870 -0.643 0.000 1.073 134 L CA -0.283 54.314 54.840 -0.405 0.000 0.822 134 L CB 0.223 42.118 42.059 -0.273 0.000 1.186 134 L HN 0.610 nan 8.230 nan 0.000 0.436 135 N N 2.937 121.423 118.700 -0.357 0.000 2.458 135 N HA 0.197 4.933 4.740 -0.007 0.000 0.271 135 N C 0.063 175.440 175.510 -0.223 0.000 1.210 135 N CA -0.388 52.531 53.050 -0.218 0.000 0.978 135 N CB 0.789 39.323 38.487 0.079 0.000 1.206 135 N HN 0.361 nan 8.380 nan 0.000 0.536 136 K N -0.323 119.953 120.400 -0.206 0.000 3.016 136 K HA -0.225 4.090 4.320 -0.007 0.000 0.262 136 K C 0.597 177.047 176.600 -0.251 0.000 1.043 136 K CA 0.308 56.455 56.287 -0.233 0.000 0.761 136 K CB -2.129 30.268 32.500 -0.172 0.000 1.230 136 K HN 0.455 nan 8.250 nan 0.000 0.485 137 C N 1.384 120.506 119.300 -0.298 0.000 2.432 137 C HA -0.109 4.347 4.460 -0.007 0.000 0.282 137 C C 2.352 177.255 174.990 -0.144 0.000 1.388 137 C CA 1.114 60.024 59.018 -0.180 0.000 1.777 137 C CB -0.710 26.989 27.740 -0.068 0.000 1.882 137 C HN 0.678 nan 8.230 nan 0.000 0.520 138 D N 0.304 120.472 120.400 -0.385 0.000 2.309 138 D HA -0.157 4.478 4.640 -0.007 0.000 0.212 138 D C 1.599 177.848 176.300 -0.085 0.000 0.968 138 D CA 1.010 54.875 54.000 -0.226 0.000 0.882 138 D CB -0.345 40.155 40.800 -0.501 0.000 0.918 138 D HN 0.491 nan 8.370 nan 0.000 0.503 139 M N 0.533 120.066 119.600 -0.113 0.000 2.428 139 M HA 0.103 4.579 4.480 -0.007 0.000 0.239 139 M C 0.043 176.318 176.300 -0.041 0.000 1.121 139 M CA -0.009 55.251 55.300 -0.068 0.000 1.019 139 M CB 1.556 34.106 32.600 -0.083 0.000 1.485 139 M HN -0.214 nan 8.290 nan 0.000 0.484 140 V N 2.799 122.693 119.914 -0.034 0.000 2.339 140 V HA 0.030 4.146 4.120 -0.007 0.000 0.261 140 V C -0.075 176.022 176.094 0.005 0.000 1.058 140 V CA -0.608 61.680 62.300 -0.019 0.000 0.897 140 V CB 0.136 31.943 31.823 -0.026 0.000 1.052 140 V HN 0.360 nan 8.190 nan 0.000 0.480 141 D N 2.326 122.728 120.400 0.003 0.000 2.826 141 D HA 0.175 4.811 4.640 -0.007 0.000 0.247 141 D C -0.084 176.222 176.300 0.010 0.000 1.238 141 D CA 0.121 54.128 54.000 0.011 0.000 0.894 141 D CB -0.074 40.731 40.800 0.007 0.000 1.100 141 D HN 0.516 nan 8.370 nan 0.000 0.453 142 D N -0.207 120.200 120.400 0.011 0.000 2.334 142 D HA -0.039 4.597 4.640 -0.007 0.000 0.182 142 D C 0.694 176.998 176.300 0.007 0.000 1.157 142 D CA -0.429 53.576 54.000 0.008 0.000 0.807 142 D CB 0.741 41.543 40.800 0.003 0.000 2.649 142 D HN 0.015 nan 8.370 nan 0.000 0.494 143 E N 2.605 122.810 120.200 0.008 0.000 2.150 143 E HA -0.141 4.204 4.350 -0.007 0.000 0.193 143 E C 0.942 177.543 176.600 0.000 0.000 0.985 143 E CA 1.527 57.931 56.400 0.006 0.000 0.814 143 E CB -0.048 29.656 29.700 0.005 0.000 0.752 143 E HN 0.619 nan 8.360 nan 0.000 0.466 144 E N 0.574 120.774 120.200 0.000 0.000 2.160 144 E HA -0.142 4.204 4.350 -0.007 0.000 0.195 144 E C 2.079 178.677 176.600 -0.004 0.000 0.991 144 E CA 1.290 57.689 56.400 -0.002 0.000 0.810 144 E CB -0.193 29.506 29.700 -0.001 0.000 0.742 144 E HN 0.383 nan 8.360 nan 0.000 0.466 145 L N 0.404 121.624 121.223 -0.005 0.000 2.109 145 L HA -0.124 4.211 4.340 -0.007 0.000 0.207 145 L C 2.358 179.219 176.870 -0.014 0.000 1.086 145 L CA 0.598 55.433 54.840 -0.009 0.000 0.760 145 L CB -0.244 41.809 42.059 -0.010 0.000 0.910 145 L HN 0.159 nan 8.230 nan 0.000 0.437 146 L N -0.374 120.841 121.223 -0.014 0.000 2.141 146 L HA -0.187 4.148 4.340 -0.007 0.000 0.209 146 L C 2.551 179.409 176.870 -0.020 0.000 1.094 146 L CA 0.751 55.578 54.840 -0.021 0.000 0.763 146 L CB -0.321 41.730 42.059 -0.014 0.000 0.908 146 L HN 0.236 nan 8.230 nan 0.000 0.437 147 E N 0.855 121.047 120.200 -0.012 0.000 2.031 147 E HA -0.194 4.151 4.350 -0.007 0.000 0.193 147 E C 2.195 178.789 176.600 -0.010 0.000 0.994 147 E CA 1.379 57.773 56.400 -0.010 0.000 0.800 147 E CB -0.239 29.458 29.700 -0.006 0.000 0.752 147 E HN 0.322 nan 8.360 nan 0.000 0.447 148 L N -0.383 120.835 121.223 -0.009 0.000 1.989 148 L HA -0.220 4.116 4.340 -0.007 0.000 0.211 148 L C 2.500 179.366 176.870 -0.008 0.000 1.071 148 L CA 1.294 56.130 54.840 -0.006 0.000 0.749 148 L CB -0.736 41.320 42.059 -0.006 0.000 0.890 148 L HN 0.105 nan 8.230 nan 0.000 0.431 149 V N -0.016 119.890 119.914 -0.014 0.000 2.282 149 V HA -0.331 3.784 4.120 -0.007 0.000 0.249 149 V C 2.454 178.539 176.094 -0.015 0.000 1.057 149 V CA 2.057 64.347 62.300 -0.016 0.000 1.032 149 V CB -0.570 31.234 31.823 -0.032 0.000 0.645 149 V HN 0.483 nan 8.190 nan 0.000 0.447 150 E N -0.522 119.665 120.200 -0.022 0.000 2.038 150 E HA -0.252 4.094 4.350 -0.007 0.000 0.195 150 E C 2.316 178.910 176.600 -0.011 0.000 1.000 150 E CA 1.665 58.051 56.400 -0.024 0.000 0.803 150 E CB -0.265 29.418 29.700 -0.028 0.000 0.750 150 E HN 0.433 nan 8.360 nan 0.000 0.448 151 M N 0.886 120.483 119.600 -0.005 0.000 2.082 151 M HA -0.205 4.270 4.480 -0.007 0.000 0.258 151 M C 1.948 178.254 176.300 0.010 0.000 1.069 151 M CA 1.655 56.956 55.300 0.002 0.000 1.102 151 M CB -1.260 31.341 32.600 0.002 0.000 1.336 151 M HN 0.122 nan 8.290 nan 0.000 0.404 152 E N 0.078 120.284 120.200 0.010 0.000 2.051 152 E HA -0.128 4.218 4.350 -0.007 0.000 0.192 152 E C 2.261 178.880 176.600 0.030 0.000 0.991 152 E CA 1.336 57.748 56.400 0.020 0.000 0.799 152 E CB -0.224 29.487 29.700 0.017 0.000 0.748 152 E HN 0.292 nan 8.360 nan 0.000 0.449 153 V N 1.685 121.612 119.914 0.022 0.000 2.255 153 V HA -0.285 3.830 4.120 -0.007 0.000 0.247 153 V C 2.267 178.382 176.094 0.035 0.000 1.051 153 V CA 2.000 64.315 62.300 0.025 0.000 1.018 153 V CB -0.563 31.260 31.823 0.001 0.000 0.641 153 V HN 0.234 nan 8.190 nan 0.000 0.445 154 R N -0.289 120.225 120.500 0.023 0.000 2.120 154 R HA -0.161 4.174 4.340 -0.007 0.000 0.234 154 R C 2.283 178.617 176.300 0.057 0.000 1.123 154 R CA 1.261 57.381 56.100 0.034 0.000 0.975 154 R CB -0.354 29.955 30.300 0.017 0.000 0.866 154 R HN 0.444 nan 8.270 nan 0.000 0.446 155 E N 1.294 121.523 120.200 0.049 0.000 2.107 155 E HA -0.068 4.278 4.350 -0.007 0.000 0.191 155 E C 2.056 178.702 176.600 0.077 0.000 0.982 155 E CA 0.837 57.267 56.400 0.049 0.000 0.809 155 E CB 0.037 29.755 29.700 0.031 0.000 0.756 155 E HN 0.316 nan 8.360 nan 0.000 0.459 156 L N 0.262 121.550 121.223 0.107 0.000 2.056 156 L HA -0.167 4.169 4.340 -0.007 0.000 0.207 156 L C 2.645 179.700 176.870 0.308 0.000 1.078 156 L CA 0.736 55.691 54.840 0.192 0.000 0.749 156 L CB -0.398 41.769 42.059 0.179 0.000 0.901 156 L HN 0.141 nan 8.230 nan 0.000 0.433 157 L N -0.971 120.395 121.223 0.238 0.000 2.046 157 L HA -0.209 4.126 4.340 -0.007 0.000 0.208 157 L C 2.713 179.796 176.870 0.355 0.000 1.077 157 L CA 1.212 56.246 54.840 0.323 0.000 0.747 157 L CB -0.504 41.672 42.059 0.195 0.000 0.896 157 L HN 0.194 nan 8.230 nan 0.000 0.432 158 S N -0.670 115.147 115.700 0.195 0.000 2.382 158 S HA -0.226 4.239 4.470 -0.007 0.000 0.228 158 S C 1.880 176.506 174.600 0.043 0.000 1.027 158 S CA 1.129 59.396 58.200 0.113 0.000 0.991 158 S CB -0.262 62.976 63.200 0.063 0.000 0.823 158 S HN 0.456 nan 8.310 nan 0.000 0.469 159 Q N -0.533 119.263 119.800 -0.007 0.000 2.234 159 Q HA -0.113 4.223 4.340 -0.007 0.000 0.206 159 Q C 0.479 176.224 176.000 -0.425 0.000 0.980 159 Q CA 1.198 56.860 55.803 -0.236 0.000 0.869 159 Q CB -0.167 28.361 28.738 -0.350 0.000 0.912 159 Q HN 0.669 nan 8.270 nan 0.000 0.436 160 Y N -0.171 120.181 120.300 0.087 0.000 2.681 160 Y HA 0.109 4.659 4.550 0.000 0.000 0.267 160 Y C -0.477 175.354 175.900 -0.115 0.000 1.166 160 Y CA -0.483 57.653 58.100 0.060 0.000 1.209 160 Y CB 0.581 39.164 38.460 0.205 0.000 1.161 160 Y HN 0.003 nan 8.280 nan 0.000 0.534 161 D N -0.219 120.163 120.400 -0.029 0.000 2.746 161 D HA -0.216 4.420 4.640 -0.007 0.000 0.236 161 D C -0.924 175.213 176.300 -0.271 0.000 1.129 161 D CA 0.885 54.799 54.000 -0.144 0.000 0.691 161 D CB -1.578 39.114 40.800 -0.180 0.000 1.077 161 D HN 0.197 nan 8.370 nan 0.000 0.432 162 F N 0.104 120.099 119.950 0.074 0.000 2.492 162 F HA 0.370 4.893 4.527 -0.006 0.000 0.327 162 F C -1.549 174.294 175.800 0.070 0.000 1.079 162 F CA -2.253 55.789 58.000 0.071 0.000 0.967 162 F CB 1.190 40.242 39.000 0.087 0.000 1.169 162 F HN -0.285 nan 8.300 nan 0.000 0.472 163 P HA 0.052 nan 4.420 nan 0.000 0.244 163 P C 0.831 178.230 177.300 0.165 0.000 1.723 163 P CA 0.365 63.581 63.100 0.194 0.000 1.110 163 P CB -0.057 31.776 31.700 0.221 0.000 1.972 164 G N 3.876 112.762 108.800 0.143 0.000 2.556 164 G HA2 -0.313 3.643 3.960 -0.007 0.000 0.220 164 G HA3 -0.313 3.643 3.960 -0.007 0.000 0.220 164 G C 0.902 175.831 174.900 0.049 0.000 1.156 164 G CA 1.247 46.403 45.100 0.093 0.000 0.766 164 G HN 0.448 nan 8.290 nan 0.000 0.583 165 D N -0.583 119.848 120.400 0.052 0.000 2.363 165 D HA 0.048 4.683 4.640 -0.007 0.000 0.226 165 D C 1.066 177.387 176.300 0.034 0.000 1.020 165 D CA 0.763 54.782 54.000 0.033 0.000 0.892 165 D CB 0.127 40.947 40.800 0.034 0.000 0.900 165 D HN 0.266 nan 8.370 nan 0.000 0.531 166 D N -0.422 120.014 120.400 0.060 0.000 2.474 166 D HA 0.018 4.653 4.640 -0.007 0.000 0.213 166 D C -0.014 176.297 176.300 0.019 0.000 1.120 166 D CA 0.162 54.212 54.000 0.083 0.000 0.836 166 D CB 0.395 41.294 40.800 0.165 0.000 1.019 166 D HN 0.061 nan 8.370 nan 0.000 0.507 167 T N 3.546 118.073 114.554 -0.046 0.000 2.817 167 T HA 0.184 4.529 4.350 -0.007 0.000 0.295 167 T C -2.458 171.984 174.700 -0.431 0.000 0.958 167 T CA -0.848 61.106 62.100 -0.243 0.000 1.157 167 T CB 1.319 70.119 68.868 -0.114 0.000 0.898 167 T HN -0.113 nan 8.240 nan 0.000 0.536 168 P HA 0.265 nan 4.420 nan 0.000 0.271 168 P C -0.625 176.314 177.300 -0.603 0.000 1.226 168 P CA -0.006 62.505 63.100 -0.980 0.000 0.765 168 P CB 0.251 30.892 31.700 -1.765 0.000 0.835 169 I N 3.754 124.093 120.570 -0.384 0.000 2.448 169 I HA 0.210 4.376 4.170 -0.007 0.000 0.281 169 I C -0.398 175.660 176.117 -0.098 0.000 1.027 169 I CA -1.015 60.169 61.300 -0.195 0.000 1.111 169 I CB 1.795 39.713 38.000 -0.137 0.000 1.236 169 I HN -0.043 nan 8.210 nan 0.000 0.452 170 V N 6.726 126.623 119.914 -0.029 0.000 2.432 170 V HA 0.329 4.444 4.120 -0.007 0.000 0.275 170 V C 0.539 176.541 176.094 -0.154 0.000 1.043 170 V CA -0.604 61.728 62.300 0.053 0.000 0.925 170 V CB 1.167 33.149 31.823 0.266 0.000 0.985 170 V HN 0.646 nan 8.190 nan 0.000 0.466 171 R N 3.790 124.239 120.500 -0.086 0.000 2.408 171 R HA 0.534 4.870 4.340 -0.007 0.000 0.308 171 R C 0.475 176.752 176.300 -0.038 0.000 1.210 171 R CA -0.072 55.956 56.100 -0.121 0.000 1.115 171 R CB 0.977 31.272 30.300 -0.008 0.000 1.127 171 R HN 0.898 nan 8.270 nan 0.000 0.523 172 G N -0.211 108.369 108.800 -0.367 0.000 3.108 172 G HA2 0.464 4.420 3.960 -0.007 0.000 0.268 172 G HA3 0.464 4.420 3.960 -0.007 0.000 0.268 172 G C -1.134 173.656 174.900 -0.182 0.000 1.361 172 G CA -0.466 44.608 45.100 -0.045 0.000 1.047 172 G HN 0.294 nan 8.290 nan 0.000 0.540 173 S N -1.718 113.984 115.700 0.004 0.000 2.689 173 S HA 0.517 4.982 4.470 -0.007 0.000 0.274 173 S C 0.774 175.361 174.600 -0.022 0.000 1.176 173 S CA 0.463 58.492 58.200 -0.286 0.000 1.014 173 S CB 1.107 63.650 63.200 -1.094 0.000 1.071 173 S HN 1.335 nan 8.310 nan 0.000 0.478 174 A N 4.841 127.702 122.820 0.068 0.000 1.929 174 A HA 0.146 4.462 4.320 -0.007 0.000 0.216 174 A C 1.825 179.381 177.584 -0.045 0.000 1.176 174 A CA 0.954 53.005 52.037 0.023 0.000 0.628 174 A CB -0.611 18.392 19.000 0.005 0.000 0.816 174 A HN 0.804 nan 8.150 nan 0.000 0.444 175 L N -0.556 120.612 121.223 -0.091 0.000 2.017 175 L HA -0.180 4.156 4.340 -0.007 0.000 0.208 175 L C 2.562 179.377 176.870 -0.091 0.000 1.073 175 L CA 1.331 56.115 54.840 -0.092 0.000 0.745 175 L CB -0.394 41.601 42.059 -0.106 0.000 0.894 175 L HN 0.267 nan 8.230 nan 0.000 0.432 176 K N 0.157 120.455 120.400 -0.169 0.000 2.057 176 K HA -0.099 4.217 4.320 -0.007 0.000 0.206 176 K C 2.174 178.808 176.600 0.057 0.000 1.050 176 K CA 1.431 57.658 56.287 -0.100 0.000 0.935 176 K CB -0.487 31.792 32.500 -0.368 0.000 0.715 176 K HN 0.262 nan 8.250 nan 0.000 0.439 177 A N 1.445 124.312 122.820 0.077 0.000 1.908 177 A HA -0.159 4.157 4.320 -0.007 0.000 0.218 177 A C 2.159 179.771 177.584 0.048 0.000 1.181 177 A CA 1.254 53.366 52.037 0.125 0.000 0.627 177 A CB -0.515 18.559 19.000 0.123 0.000 0.818 177 A HN 0.149 nan 8.150 nan 0.000 0.445 178 L N 0.064 121.291 121.223 0.008 0.000 2.275 178 L HA -0.054 4.282 4.340 -0.007 0.000 0.215 178 L C 1.808 178.677 176.870 -0.002 0.000 1.119 178 L CA 1.618 56.451 54.840 -0.012 0.000 0.790 178 L CB -0.620 41.421 42.059 -0.031 0.000 0.919 178 L HN 0.484 nan 8.230 nan 0.000 0.443 179 E N -1.039 119.167 120.200 0.010 0.000 2.494 179 E HA 0.136 4.482 4.350 -0.007 0.000 0.193 179 E C 1.332 177.951 176.600 0.031 0.000 1.074 179 E CA 0.485 56.895 56.400 0.016 0.000 0.867 179 E CB -0.135 29.576 29.700 0.018 0.000 0.924 179 E HN 0.507 nan 8.360 nan 0.000 0.502 180 G N 2.331 111.153 108.800 0.036 0.000 2.162 180 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.260 180 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.260 180 G C 0.104 175.038 174.900 0.057 0.000 0.976 180 G CA 0.277 45.398 45.100 0.034 0.000 0.655 180 G HN 0.356 nan 8.290 nan 0.000 0.533 181 D N 1.116 121.579 120.400 0.106 0.000 2.385 181 D HA 0.446 5.081 4.640 -0.007 0.000 0.260 181 D C 1.810 178.178 176.300 0.115 0.000 1.326 181 D CA 0.677 54.766 54.000 0.147 0.000 1.023 181 D CB 0.188 41.175 40.800 0.313 0.000 1.083 181 D HN 0.532 nan 8.370 nan 0.000 0.517 182 A N 4.621 127.463 122.820 0.037 0.000 2.104 182 A HA -0.240 4.075 4.320 -0.007 0.000 0.223 182 A C 1.912 179.465 177.584 -0.052 0.000 1.164 182 A CA 1.298 53.331 52.037 -0.006 0.000 0.659 182 A CB -0.135 18.848 19.000 -0.027 0.000 0.808 182 A HN 0.564 nan 8.150 nan 0.000 0.465 183 E N -1.196 118.933 120.200 -0.118 0.000 2.107 183 E HA -0.189 4.157 4.350 -0.007 0.000 0.191 183 E C 1.732 178.106 176.600 -0.377 0.000 0.982 183 E CA 1.182 57.392 56.400 -0.317 0.000 0.809 183 E CB -0.359 29.037 29.700 -0.507 0.000 0.756 183 E HN 0.968 nan 8.360 nan 0.000 0.459 184 W N 1.623 122.926 121.300 0.004 0.000 2.576 184 W HA 0.067 4.722 4.660 -0.008 0.000 0.275 184 W C 2.175 178.712 176.519 0.029 0.000 1.241 184 W CA -0.014 57.344 57.345 0.022 0.000 1.328 184 W CB 0.034 29.510 29.460 0.026 0.000 1.092 184 W HN 0.061 nan 8.180 nan 0.000 0.586 185 E N 0.717 121.031 120.200 0.190 0.000 2.160 185 E HA -0.219 4.127 4.350 -0.007 0.000 0.195 185 E C 2.306 178.943 176.600 0.061 0.000 0.991 185 E CA 1.277 57.736 56.400 0.098 0.000 0.810 185 E CB -0.382 29.340 29.700 0.037 0.000 0.742 185 E HN 0.262 nan 8.360 nan 0.000 0.466 186 A N 1.770 124.608 122.820 0.031 0.000 1.908 186 A HA -0.212 4.104 4.320 -0.007 0.000 0.218 186 A C 1.977 179.588 177.584 0.046 0.000 1.181 186 A CA 1.272 53.309 52.037 0.001 0.000 0.627 186 A CB -0.180 18.789 19.000 -0.050 0.000 0.818 186 A HN -0.028 nan 8.150 nan 0.000 0.445 187 K N -0.175 120.293 120.400 0.112 0.000 2.097 187 K HA -0.045 4.270 4.320 -0.007 0.000 0.206 187 K C 1.827 178.574 176.600 0.245 0.000 1.049 187 K CA 0.874 57.281 56.287 0.199 0.000 0.933 187 K CB -0.541 32.149 32.500 0.317 0.000 0.717 187 K HN 0.477 nan 8.250 nan 0.000 0.442 188 I N 1.252 121.940 120.570 0.197 0.000 2.179 188 I HA -0.221 3.944 4.170 -0.007 0.000 0.242 188 I C 2.288 178.430 176.117 0.041 0.000 1.088 188 I CA 1.161 62.515 61.300 0.090 0.000 1.357 188 I CB -1.053 36.948 38.000 0.003 0.000 1.051 188 I HN 0.071 nan 8.210 nan 0.000 0.409 189 L N 0.215 121.461 121.223 0.040 0.000 2.275 189 L HA -0.172 4.163 4.340 -0.007 0.000 0.215 189 L C 2.479 179.359 176.870 0.016 0.000 1.119 189 L CA 0.945 55.809 54.840 0.040 0.000 0.790 189 L CB -0.488 41.592 42.059 0.036 0.000 0.919 189 L HN 0.355 nan 8.230 nan 0.000 0.443 190 E N 0.733 120.943 120.200 0.016 0.000 2.072 190 E HA -0.258 4.087 4.350 -0.007 0.000 0.191 190 E C 2.212 178.791 176.600 -0.035 0.000 0.985 190 E CA 0.993 57.354 56.400 -0.066 0.000 0.801 190 E CB 0.048 29.763 29.700 0.025 0.000 0.750 190 E HN 0.317 nan 8.360 nan 0.000 0.452 191 L N 0.977 122.292 121.223 0.154 0.000 2.017 191 L HA -0.076 4.260 4.340 -0.007 0.000 0.208 191 L C 2.279 179.217 176.870 0.112 0.000 1.073 191 L CA 2.320 57.303 54.840 0.239 0.000 0.745 191 L CB -0.830 41.331 42.059 0.170 0.000 0.894 191 L HN 0.136 nan 8.230 nan 0.000 0.432 192 A N -0.385 122.447 122.820 0.020 0.000 1.978 192 A HA -0.074 4.242 4.320 -0.007 0.000 0.220 192 A C 2.326 179.932 177.584 0.037 0.000 1.170 192 A CA 1.539 53.577 52.037 0.001 0.000 0.636 192 A CB -1.610 17.406 19.000 0.027 0.000 0.810 192 A HN 0.574 nan 8.150 nan 0.000 0.448 193 G N -1.219 107.563 108.800 -0.031 0.000 2.418 193 G HA2 -0.133 3.823 3.960 -0.007 0.000 0.217 193 G HA3 -0.133 3.823 3.960 -0.007 0.000 0.217 193 G C 1.280 176.137 174.900 -0.070 0.000 1.158 193 G CA 1.069 46.104 45.100 -0.109 0.000 0.771 193 G HN 0.416 nan 8.290 nan 0.000 0.545 194 F N 0.823 120.811 119.950 0.064 0.000 2.234 194 F HA 0.152 4.676 4.527 -0.006 0.000 0.299 194 F C 2.602 178.465 175.800 0.105 0.000 1.087 194 F CA 0.342 58.387 58.000 0.074 0.000 1.340 194 F CB -0.444 38.570 39.000 0.023 0.000 1.031 194 F HN 0.024 nan 8.300 nan 0.000 0.500 195 L N -0.546 120.824 121.223 0.244 0.000 2.083 195 L HA -0.219 4.117 4.340 -0.007 0.000 0.209 195 L C 2.070 179.097 176.870 0.261 0.000 1.083 195 L CA 1.264 56.213 54.840 0.182 0.000 0.752 195 L CB -0.655 41.364 42.059 -0.066 0.000 0.899 195 L HN 0.061 nan 8.230 nan 0.000 0.433 196 D N -0.407 120.134 120.400 0.236 0.000 2.144 196 D HA -0.115 4.521 4.640 -0.007 0.000 0.200 196 D C 2.362 178.732 176.300 0.116 0.000 0.978 196 D CA 1.773 55.882 54.000 0.181 0.000 0.833 196 D CB 0.129 41.000 40.800 0.118 0.000 0.961 196 D HN 0.384 nan 8.370 nan 0.000 0.470 197 S N -0.597 115.189 115.700 0.144 0.000 2.384 197 S HA -0.096 4.370 4.470 -0.007 0.000 0.217 197 S C 2.154 176.846 174.600 0.155 0.000 1.041 197 S CA 0.014 58.299 58.200 0.141 0.000 0.948 197 S CB -0.848 62.452 63.200 0.167 0.000 0.872 197 S HN 0.146 nan 8.310 nan 0.000 0.512 198 Y N 2.600 122.958 120.300 0.097 0.000 2.165 198 Y HA 0.205 4.750 4.550 -0.008 0.000 0.286 198 Y C 0.705 176.438 175.900 -0.280 0.000 1.155 198 Y CA 0.514 58.610 58.100 -0.007 0.000 1.164 198 Y CB -0.333 38.161 38.460 0.056 0.000 0.978 198 Y HN 0.224 nan 8.280 nan 0.000 0.513 199 I N 4.009 124.478 120.570 -0.169 0.000 2.312 199 I HA 0.190 4.355 4.170 -0.007 0.000 0.291 199 I C -2.174 173.776 176.117 -0.278 0.000 1.031 199 I CA -2.047 58.991 61.300 -0.437 0.000 1.293 199 I CB 0.906 38.856 38.000 -0.084 0.000 1.403 199 I HN 0.006 nan 8.210 nan 0.000 0.484 200 P HA 0.140 nan 4.420 nan 0.000 0.276 200 P C -0.604 176.653 177.300 -0.072 0.000 1.244 200 P CA -0.502 62.505 63.100 -0.155 0.000 0.801 200 P CB 0.761 32.381 31.700 -0.132 0.000 1.006 201 E N 2.442 122.619 120.200 -0.038 0.000 2.585 201 E HA 0.069 4.414 4.350 -0.007 0.000 0.252 201 E C -1.886 174.715 176.600 0.002 0.000 0.981 201 E CA -0.586 55.801 56.400 -0.021 0.000 0.943 201 E CB -1.141 28.550 29.700 -0.015 0.000 0.923 201 E HN 0.313 nan 8.360 nan 0.000 0.486 202 P HA -0.097 nan 4.420 nan 0.000 0.264 202 P C -0.550 176.773 177.300 0.038 0.000 1.183 202 P CA 0.191 63.315 63.100 0.041 0.000 0.763 202 P CB 0.441 32.173 31.700 0.052 0.000 0.807 203 E N 3.081 123.306 120.200 0.043 0.000 2.465 203 E HA -0.038 4.308 4.350 -0.007 0.000 0.260 203 E C -0.271 176.350 176.600 0.036 0.000 0.980 203 E CA -0.289 56.133 56.400 0.037 0.000 0.927 203 E CB 0.401 30.124 29.700 0.039 0.000 0.934 203 E HN 0.185 nan 8.360 nan 0.000 0.459 204 R N 2.599 123.117 120.500 0.031 0.000 2.539 204 R HA 0.168 4.503 4.340 -0.007 0.000 0.275 204 R C 0.915 177.234 176.300 0.032 0.000 1.077 204 R CA 0.564 56.682 56.100 0.030 0.000 1.097 204 R CB 0.757 31.072 30.300 0.025 0.000 1.018 204 R HN 0.683 nan 8.270 nan 0.000 0.483 205 A N 3.065 125.904 122.820 0.033 0.000 1.908 205 A HA -0.162 4.154 4.320 -0.007 0.000 0.218 205 A C 1.885 179.496 177.584 0.045 0.000 1.181 205 A CA 1.433 53.492 52.037 0.037 0.000 0.627 205 A CB -0.712 18.309 19.000 0.036 0.000 0.818 205 A HN 0.754 nan 8.150 nan 0.000 0.445 206 I N 0.001 120.596 120.570 0.042 0.000 2.335 206 I HA -0.246 3.920 4.170 -0.007 0.000 0.251 206 I C 1.461 177.605 176.117 0.046 0.000 1.129 206 I CA 1.479 62.806 61.300 0.046 0.000 1.402 206 I CB -0.503 37.516 38.000 0.033 0.000 1.069 206 I HN 0.276 nan 8.210 nan 0.000 0.424 207 D N 1.030 121.453 120.400 0.038 0.000 2.224 207 D HA -0.019 4.617 4.640 -0.007 0.000 0.205 207 D C 0.843 177.167 176.300 0.040 0.000 0.965 207 D CA 0.755 54.777 54.000 0.035 0.000 0.852 207 D CB 0.010 40.828 40.800 0.029 0.000 0.947 207 D HN 0.337 nan 8.370 nan 0.000 0.494 208 K N 1.286 121.712 120.400 0.042 0.000 2.258 208 K HA 0.222 4.537 4.320 -0.007 0.000 0.264 208 K C -2.438 174.194 176.600 0.053 0.000 1.007 208 K CA -1.502 54.809 56.287 0.040 0.000 0.941 208 K CB 0.217 32.736 32.500 0.032 0.000 0.966 208 K HN -0.129 nan 8.250 nan 0.000 0.480 209 P HA -0.114 nan 4.420 nan 0.000 0.267 209 P C -0.604 176.745 177.300 0.082 0.000 1.200 209 P CA -0.064 63.076 63.100 0.067 0.000 0.772 209 P CB 0.278 32.000 31.700 0.037 0.000 0.855 210 F N 4.526 124.478 119.950 0.003 0.000 2.578 210 F HA 0.302 4.825 4.527 -0.007 0.000 0.376 210 F C -0.519 175.283 175.800 0.003 0.000 1.085 210 F CA 0.207 58.209 58.000 0.002 0.000 1.260 210 F CB -0.222 38.777 39.000 -0.002 0.000 1.095 210 F HN 0.137 nan 8.300 nan 0.000 0.573 211 L N 7.886 128.533 121.223 -0.960 0.000 2.513 211 L HA 0.618 4.954 4.340 -0.007 0.000 0.261 211 L C -2.206 174.220 176.870 -0.740 0.000 0.945 211 L CA -0.814 53.502 54.840 -0.873 0.000 0.848 211 L CB 1.835 43.685 42.059 -0.348 0.000 1.334 211 L HN 0.802 nan 8.230 nan 0.000 0.407 212 L N 6.080 126.949 121.223 -0.591 0.000 2.441 212 L HA 0.688 5.024 4.340 -0.007 0.000 0.270 212 L C -2.612 174.200 176.870 -0.096 0.000 0.973 212 L CA -1.321 53.406 54.840 -0.188 0.000 0.842 212 L CB 2.554 44.639 42.059 0.044 0.000 1.239 212 L HN 0.384 nan 8.230 nan 0.000 0.406 213 P HA 0.253 nan 4.420 nan 0.000 0.275 213 P C -0.530 176.779 177.300 0.015 0.000 1.276 213 P CA 0.160 63.251 63.100 -0.015 0.000 0.782 213 P CB 0.454 32.159 31.700 0.009 0.000 0.851 214 I N 3.452 124.028 120.570 0.010 0.000 2.533 214 I HA -0.000 4.165 4.170 -0.007 0.000 0.284 214 I C 1.363 177.505 176.117 0.042 0.000 1.109 214 I CA 0.603 61.924 61.300 0.034 0.000 1.412 214 I CB 0.629 38.644 38.000 0.026 0.000 1.396 214 I HN 0.456 nan 8.210 nan 0.000 0.543 215 E N 3.728 123.967 120.200 0.064 0.000 2.184 215 E HA 0.116 4.462 4.350 -0.007 0.000 0.194 215 E C -0.375 176.267 176.600 0.071 0.000 0.978 215 E CA -0.083 56.357 56.400 0.067 0.000 0.998 215 E CB 0.449 30.194 29.700 0.075 0.000 1.240 215 E HN 0.581 nan 8.360 nan 0.000 0.492 216 D N 0.813 121.267 120.400 0.090 0.000 2.198 216 D HA 0.340 4.976 4.640 -0.007 0.000 0.247 216 D C -0.938 175.472 176.300 0.184 0.000 1.010 216 D CA -0.289 53.773 54.000 0.102 0.000 0.880 216 D CB 2.766 43.595 40.800 0.048 0.000 1.209 216 D HN -0.122 nan 8.370 nan 0.000 0.451 217 V N 2.742 122.771 119.914 0.192 0.000 2.409 217 V HA 0.451 4.567 4.120 -0.007 0.000 0.290 217 V C -0.637 175.634 176.094 0.295 0.000 1.017 217 V CA -0.854 61.574 62.300 0.213 0.000 0.841 217 V CB 0.502 32.385 31.823 0.100 0.000 1.003 217 V HN 0.428 nan 8.190 nan 0.000 0.426 218 F N 2.050 122.009 119.950 0.014 0.000 2.613 218 F HA 0.957 5.480 4.527 -0.007 0.000 0.314 218 F C -0.091 175.715 175.800 0.010 0.000 1.075 218 F CA -1.476 56.531 58.000 0.012 0.000 0.945 218 F CB 1.589 40.598 39.000 0.015 0.000 1.310 218 F HN 0.380 nan 8.300 nan 0.000 0.467 219 S N 1.177 116.848 115.700 -0.049 0.000 2.537 219 S HA 0.659 5.125 4.470 -0.007 0.000 0.301 219 S C 0.181 174.721 174.600 -0.099 0.000 1.092 219 S CA -0.725 57.384 58.200 -0.151 0.000 1.048 219 S CB 1.839 65.004 63.200 -0.058 0.000 1.053 219 S HN 0.749 nan 8.310 nan 0.000 0.501 220 I N 0.821 121.310 120.570 -0.135 0.000 3.081 220 I HA 0.041 4.207 4.170 -0.007 0.000 0.274 220 I C 1.909 178.011 176.117 -0.023 0.000 1.178 220 I CA 0.727 61.994 61.300 -0.056 0.000 1.460 220 I CB 0.046 37.998 38.000 -0.080 0.000 1.137 220 I HN 0.972 nan 8.210 nan 0.000 0.443 221 S N 0.511 116.188 115.700 -0.037 0.000 1.467 221 S HA -0.255 4.211 4.470 -0.007 0.000 0.243 221 S C 1.750 176.336 174.600 -0.023 0.000 0.713 221 S CA 1.253 59.439 58.200 -0.022 0.000 1.248 221 S CB -2.060 61.137 63.200 -0.006 0.000 1.485 221 S HN 0.538 nan 8.310 nan 0.000 0.508 222 G N 2.026 110.815 108.800 -0.019 0.000 2.479 222 G HA2 -0.027 3.929 3.960 -0.007 0.000 0.220 222 G HA3 -0.027 3.929 3.960 -0.007 0.000 0.220 222 G C 1.176 176.061 174.900 -0.025 0.000 1.115 222 G CA 1.481 46.571 45.100 -0.017 0.000 0.757 222 G HN 0.970 nan 8.290 nan 0.000 0.560 223 R N -2.466 118.012 120.500 -0.038 0.000 3.578 223 R HA 0.451 4.786 4.340 -0.007 0.000 0.131 223 R C 0.834 177.100 176.300 -0.056 0.000 0.722 223 R CA 0.454 56.528 56.100 -0.044 0.000 1.328 223 R CB 0.286 30.559 30.300 -0.045 0.000 1.650 223 R HN 0.364 nan 8.270 nan 0.000 0.485 224 G N 0.903 109.655 108.800 -0.079 0.000 2.340 224 G HA2 0.267 4.222 3.960 -0.007 0.000 0.299 224 G HA3 0.267 4.222 3.960 -0.007 0.000 0.299 224 G C -1.294 173.523 174.900 -0.138 0.000 1.291 224 G CA -0.289 44.758 45.100 -0.090 0.000 0.841 224 G HN 0.214 nan 8.290 nan 0.000 0.500 225 T N -1.592 112.886 114.554 -0.127 0.000 2.897 225 T HA 0.602 4.947 4.350 -0.007 0.000 0.294 225 T C -0.164 174.408 174.700 -0.214 0.000 1.004 225 T CA -0.475 61.526 62.100 -0.164 0.000 1.106 225 T CB 1.599 70.410 68.868 -0.094 0.000 0.949 225 T HN 1.051 nan 8.240 nan 0.000 0.520 226 V N 2.841 122.547 119.914 -0.348 0.000 2.588 226 V HA 0.576 4.692 4.120 -0.007 0.000 0.304 226 V C 0.037 176.052 176.094 -0.132 0.000 1.042 226 V CA -1.102 60.995 62.300 -0.340 0.000 0.877 226 V CB 1.644 33.047 31.823 -0.700 0.000 0.996 226 V HN 1.030 nan 8.190 nan 0.000 0.425 227 V N 1.338 121.255 119.914 0.006 0.000 2.417 227 V HA 0.856 4.972 4.120 -0.007 0.000 0.291 227 V C 0.233 176.415 176.094 0.148 0.000 1.024 227 V CA -0.318 62.041 62.300 0.099 0.000 0.861 227 V CB 1.306 33.170 31.823 0.069 0.000 0.985 227 V HN 0.978 nan 8.190 nan 0.000 0.436 228 T N 1.571 116.244 114.554 0.198 0.000 2.907 228 T HA 0.932 5.278 4.350 -0.007 0.000 0.284 228 T C 0.232 175.009 174.700 0.129 0.000 1.004 228 T CA 0.085 62.293 62.100 0.180 0.000 1.063 228 T CB 1.328 70.312 68.868 0.193 0.000 0.992 228 T HN 2.013 nan 8.240 nan 0.000 0.483 229 G N 0.917 109.791 108.800 0.122 0.000 2.328 229 G HA2 0.433 4.389 3.960 -0.007 0.000 0.295 229 G HA3 0.433 4.389 3.960 -0.007 0.000 0.295 229 G C -1.742 173.225 174.900 0.111 0.000 1.413 229 G CA -1.229 43.934 45.100 0.106 0.000 0.817 229 G HN 0.850 nan 8.290 nan 0.000 0.546 230 R N 0.259 120.821 120.500 0.102 0.000 2.346 230 R HA 0.575 4.910 4.340 -0.007 0.000 0.311 230 R C -0.227 176.135 176.300 0.102 0.000 0.983 230 R CA -0.545 55.617 56.100 0.104 0.000 0.880 230 R CB 1.387 31.745 30.300 0.096 0.000 1.100 230 R HN 0.357 nan 8.270 nan 0.000 0.453 231 V N 5.161 125.151 119.914 0.126 0.000 2.458 231 V HA -0.066 4.049 4.120 -0.007 0.000 0.287 231 V C 1.622 177.775 176.094 0.099 0.000 1.009 231 V CA 0.489 62.891 62.300 0.170 0.000 1.091 231 V CB 0.807 32.767 31.823 0.229 0.000 0.960 231 V HN 0.962 nan 8.190 nan 0.000 0.476 232 E N 5.403 125.629 120.200 0.043 0.000 2.047 232 E HA -0.087 4.259 4.350 -0.007 0.000 0.191 232 E C 0.873 177.492 176.600 0.032 0.000 0.987 232 E CA 0.867 57.279 56.400 0.020 0.000 0.799 232 E CB 0.343 30.031 29.700 -0.021 0.000 0.752 232 E HN 0.823 nan 8.360 nan 0.000 0.449 233 R N -1.786 118.733 120.500 0.032 0.000 2.680 233 R HA 0.551 4.887 4.340 -0.007 0.000 0.269 233 R C 0.016 176.396 176.300 0.134 0.000 1.026 233 R CA -0.520 55.615 56.100 0.059 0.000 0.889 233 R CB 1.286 31.600 30.300 0.024 0.000 1.241 233 R HN 0.179 nan 8.270 nan 0.000 0.463 234 G N 1.249 110.128 108.800 0.132 0.000 2.642 234 G HA2 -0.165 3.791 3.960 -0.007 0.000 0.231 234 G HA3 -0.165 3.791 3.960 -0.007 0.000 0.231 234 G C -0.762 174.243 174.900 0.175 0.000 1.338 234 G CA -0.126 45.073 45.100 0.165 0.000 0.883 234 G HN 0.666 nan 8.290 nan 0.000 0.570 235 I N -0.297 120.347 120.570 0.124 0.000 2.647 235 I HA 0.585 4.751 4.170 -0.007 0.000 0.295 235 I C -0.706 175.265 176.117 -0.245 0.000 1.078 235 I CA -0.879 60.406 61.300 -0.025 0.000 1.048 235 I CB 2.015 39.994 38.000 -0.035 0.000 1.239 235 I HN 0.610 nan 8.210 nan 0.000 0.421 236 I N 6.043 126.319 120.570 -0.490 0.000 2.382 236 I HA 0.392 4.558 4.170 -0.007 0.000 0.286 236 I C -0.823 175.076 176.117 -0.362 0.000 1.002 236 I CA -0.228 60.627 61.300 -0.741 0.000 1.135 236 I CB 0.727 37.898 38.000 -1.382 0.000 1.288 236 I HN 0.426 nan 8.210 nan 0.000 0.448 237 K N 5.607 125.859 120.400 -0.247 0.000 2.156 237 K HA 0.599 4.914 4.320 -0.007 0.000 0.254 237 K C -0.901 175.618 176.600 -0.134 0.000 0.950 237 K CA -1.020 55.174 56.287 -0.155 0.000 0.849 237 K CB 2.069 34.506 32.500 -0.105 0.000 1.100 237 K HN 0.383 nan 8.250 nan 0.000 0.434 238 V N 2.225 122.077 119.914 -0.105 0.000 2.617 238 V HA 0.085 4.201 4.120 -0.007 0.000 0.304 238 V C 1.357 177.411 176.094 -0.068 0.000 1.040 238 V CA 1.611 63.860 62.300 -0.084 0.000 1.149 238 V CB 0.183 31.966 31.823 -0.068 0.000 0.914 238 V HN 1.199 nan 8.190 nan 0.000 0.487 239 G N 3.460 112.224 108.800 -0.061 0.000 2.339 239 G HA2 -0.176 3.780 3.960 -0.007 0.000 0.209 239 G HA3 -0.176 3.780 3.960 -0.007 0.000 0.209 239 G C 0.125 174.999 174.900 -0.044 0.000 1.015 239 G CA -0.012 45.060 45.100 -0.046 0.000 0.635 239 G HN 0.643 nan 8.290 nan 0.000 0.499 240 E N 1.503 121.668 120.200 -0.059 0.000 2.437 240 E HA 0.356 4.701 4.350 -0.007 0.000 0.263 240 E C 0.345 176.926 176.600 -0.032 0.000 1.030 240 E CA 0.238 56.607 56.400 -0.051 0.000 0.934 240 E CB 0.773 30.424 29.700 -0.083 0.000 0.943 240 E HN 0.532 nan 8.360 nan 0.000 0.444 241 E N 1.737 121.933 120.200 -0.008 0.000 2.283 241 E HA 0.367 4.713 4.350 -0.007 0.000 0.267 241 E C -0.915 175.710 176.600 0.041 0.000 1.045 241 E CA -0.727 55.679 56.400 0.009 0.000 0.884 241 E CB 1.151 30.856 29.700 0.008 0.000 1.106 241 E HN 0.288 nan 8.360 nan 0.000 0.408 242 V N -0.684 119.263 119.914 0.055 0.000 3.181 242 V HA 0.605 4.721 4.120 -0.007 0.000 0.308 242 V C -1.043 175.086 176.094 0.058 0.000 1.214 242 V CA -0.948 61.413 62.300 0.102 0.000 1.053 242 V CB 1.890 33.819 31.823 0.178 0.000 1.069 242 V HN 0.758 nan 8.190 nan 0.000 0.441 243 E N 1.281 121.510 120.200 0.049 0.000 2.222 243 E HA 0.569 4.915 4.350 -0.007 0.000 0.267 243 E C -1.455 175.142 176.600 -0.006 0.000 0.884 243 E CA -0.920 55.485 56.400 0.010 0.000 0.764 243 E CB 2.341 32.036 29.700 -0.008 0.000 1.169 243 E HN 0.647 nan 8.360 nan 0.000 0.413 244 I N 3.306 123.867 120.570 -0.016 0.000 2.306 244 I HA 0.268 4.433 4.170 -0.007 0.000 0.288 244 I C -0.126 175.963 176.117 -0.046 0.000 1.036 244 I CA -0.568 60.716 61.300 -0.026 0.000 1.221 244 I CB 0.219 38.206 38.000 -0.020 0.000 1.385 244 I HN 0.161 nan 8.210 nan 0.000 0.472 245 V N 4.346 124.223 119.914 -0.062 0.000 2.630 245 V HA 0.944 5.060 4.120 -0.007 0.000 0.305 245 V C 0.525 176.567 176.094 -0.087 0.000 1.046 245 V CA -0.423 61.829 62.300 -0.081 0.000 0.934 245 V CB 1.478 33.244 31.823 -0.095 0.000 1.003 245 V HN 1.071 nan 8.190 nan 0.000 0.451 246 G N 2.566 111.308 108.800 -0.097 0.000 2.788 246 G HA2 0.057 4.012 3.960 -0.007 0.000 0.686 246 G HA3 0.057 4.012 3.960 -0.007 0.000 0.686 246 G C -0.075 174.777 174.900 -0.080 0.000 1.147 246 G CA -0.261 44.784 45.100 -0.093 0.000 0.755 246 G HN 1.281 nan 8.290 nan 0.000 0.634 247 I N -1.639 118.894 120.570 -0.062 0.000 4.300 247 I HA -0.326 3.840 4.170 -0.007 0.000 0.079 247 I C 1.319 177.355 176.117 -0.135 0.000 0.562 247 I CA 2.460 63.680 61.300 -0.133 0.000 1.126 247 I CB -1.179 36.690 38.000 -0.218 0.000 1.002 247 I HN 0.760 nan 8.210 nan 0.000 0.174 248 K N 0.945 121.284 120.400 -0.102 0.000 2.331 248 K HA 0.501 4.817 4.320 -0.007 0.000 0.238 248 K C -0.200 176.361 176.600 -0.065 0.000 1.058 248 K CA -0.836 55.403 56.287 -0.081 0.000 0.871 248 K CB 1.283 33.738 32.500 -0.075 0.000 1.292 248 K HN 0.106 nan 8.250 nan 0.000 0.470 249 E N 1.493 121.661 120.200 -0.054 0.000 2.414 249 E HA 0.002 4.347 4.350 -0.007 0.000 0.263 249 E C -0.730 175.840 176.600 -0.051 0.000 1.000 249 E CA 0.023 56.393 56.400 -0.050 0.000 0.914 249 E CB 0.645 30.322 29.700 -0.039 0.000 0.948 249 E HN 0.347 nan 8.360 nan 0.000 0.444 250 T N 4.172 118.693 114.554 -0.055 0.000 2.939 250 T HA -0.011 4.335 4.350 -0.007 0.000 0.319 250 T C -0.118 174.559 174.700 -0.038 0.000 1.082 250 T CA 0.334 62.403 62.100 -0.051 0.000 1.133 250 T CB 0.490 69.325 68.868 -0.055 0.000 1.019 250 T HN 0.446 nan 8.240 nan 0.000 0.548 251 Q N 0.779 120.560 119.800 -0.032 0.000 2.495 251 Q HA 0.567 4.902 4.340 -0.007 0.000 0.287 251 Q C -0.835 175.156 176.000 -0.015 0.000 1.078 251 Q CA -1.031 54.758 55.803 -0.023 0.000 0.793 251 Q CB 2.608 31.333 28.738 -0.022 0.000 1.459 251 Q HN 0.435 nan 8.270 nan 0.000 0.422 252 K N 0.380 120.774 120.400 -0.010 0.000 2.267 252 K HA 0.786 5.101 4.320 -0.007 0.000 0.246 252 K C -1.030 175.569 176.600 -0.002 0.000 0.954 252 K CA -0.477 55.808 56.287 -0.002 0.000 0.824 252 K CB 2.207 34.705 32.500 -0.003 0.000 1.167 252 K HN 0.480 nan 8.250 nan 0.000 0.431 253 S N -0.103 115.600 115.700 0.005 0.000 2.636 253 S HA 0.493 4.959 4.470 -0.007 0.000 0.268 253 S C -1.694 172.906 174.600 0.001 0.000 1.159 253 S CA -0.633 57.567 58.200 -0.000 0.000 0.815 253 S CB 1.781 64.981 63.200 -0.000 0.000 1.130 253 S HN 0.496 nan 8.310 nan 0.000 0.471 254 T N 1.216 115.765 114.554 -0.008 0.000 2.841 254 T HA 0.361 4.706 4.350 -0.007 0.000 0.283 254 T C -0.255 174.431 174.700 -0.024 0.000 1.000 254 T CA -0.426 61.666 62.100 -0.014 0.000 0.977 254 T CB 1.029 69.886 68.868 -0.018 0.000 0.979 254 T HN 0.769 nan 8.240 nan 0.000 0.446 255 C N 4.528 123.807 119.300 -0.034 0.000 2.658 255 C HA 0.220 4.675 4.460 -0.007 0.000 0.376 255 C C 1.180 176.137 174.990 -0.055 0.000 1.202 255 C CA -0.227 58.759 59.018 -0.053 0.000 1.435 255 C CB -2.336 25.351 27.740 -0.089 0.000 2.076 255 C HN 0.891 nan 8.230 nan 0.000 0.569 256 T N 4.552 119.076 114.554 -0.050 0.000 3.419 256 T HA 0.505 4.850 4.350 -0.007 0.000 0.228 256 T C 0.494 175.161 174.700 -0.055 0.000 0.939 256 T CA 0.787 62.858 62.100 -0.049 0.000 0.992 256 T CB -0.604 68.237 68.868 -0.045 0.000 1.186 256 T HN 1.471 nan 8.240 nan 0.000 0.612 257 G N 0.294 109.057 108.800 -0.061 0.000 2.841 257 G HA2 0.077 4.033 3.960 -0.007 0.000 0.684 257 G HA3 0.077 4.033 3.960 -0.007 0.000 0.684 257 G C -1.207 173.651 174.900 -0.069 0.000 1.273 257 G CA -1.200 43.863 45.100 -0.062 0.000 0.811 257 G HN 0.347 nan 8.290 nan 0.000 0.631 258 V N 2.576 122.446 119.914 -0.074 0.000 2.407 258 V HA 0.696 4.812 4.120 -0.007 0.000 0.291 258 V C 0.209 176.260 176.094 -0.071 0.000 1.018 258 V CA -0.136 62.117 62.300 -0.080 0.000 0.842 258 V CB 1.454 33.213 31.823 -0.106 0.000 0.996 258 V HN 1.067 nan 8.190 nan 0.000 0.426 259 E N 5.372 125.537 120.200 -0.059 0.000 2.238 259 E HA 0.781 5.127 4.350 -0.007 0.000 0.267 259 E C -0.712 175.835 176.600 -0.088 0.000 0.887 259 E CA -0.843 55.523 56.400 -0.057 0.000 0.769 259 E CB 2.735 32.423 29.700 -0.020 0.000 1.187 259 E HN 0.572 nan 8.360 nan 0.000 0.416 260 M N 2.110 121.617 119.600 -0.156 0.000 2.849 260 M HA 0.466 4.942 4.480 -0.007 0.000 0.299 260 M C -1.063 175.093 176.300 -0.239 0.000 1.223 260 M CA -1.236 53.856 55.300 -0.348 0.000 0.856 260 M CB 1.181 33.450 32.600 -0.551 0.000 1.680 260 M HN 0.635 nan 8.290 nan 0.000 0.506 261 F N 1.102 121.072 119.950 0.034 0.000 2.538 261 F HA 0.346 4.869 4.527 -0.007 0.000 0.382 261 F C 0.471 176.284 175.800 0.022 0.000 1.069 261 F CA -0.451 57.566 58.000 0.029 0.000 1.138 261 F CB -0.676 38.337 39.000 0.022 0.000 1.068 261 F HN 0.701 nan 8.300 nan 0.000 0.556 262 R N 0.523 121.137 120.500 0.189 0.000 3.770 262 R HA -0.221 4.115 4.340 -0.007 0.000 0.305 262 R C -0.981 175.366 176.300 0.079 0.000 1.184 262 R CA 1.219 57.394 56.100 0.125 0.000 0.823 262 R CB -1.720 28.662 30.300 0.136 0.000 1.285 262 R HN 0.937 nan 8.270 nan 0.000 0.499 263 K N -1.225 119.196 120.400 0.035 0.000 2.578 263 K HA 0.301 4.616 4.320 -0.007 0.000 0.263 263 K C -1.248 175.330 176.600 -0.038 0.000 0.973 263 K CA -1.059 55.227 56.287 -0.001 0.000 0.909 263 K CB 1.011 33.510 32.500 -0.001 0.000 1.326 263 K HN -0.107 nan 8.250 nan 0.000 0.440 264 L N 3.446 124.653 121.223 -0.027 0.000 2.350 264 L HA 0.510 4.846 4.340 -0.007 0.000 0.275 264 L C -0.566 176.275 176.870 -0.048 0.000 1.099 264 L CA -0.235 54.581 54.840 -0.039 0.000 0.808 264 L CB 0.997 43.040 42.059 -0.026 0.000 1.149 264 L HN 0.689 nan 8.230 nan 0.000 0.442 265 L N -0.291 120.894 121.223 -0.062 0.000 2.250 265 L HA 0.622 4.958 4.340 -0.007 0.000 0.252 265 L C 0.213 177.045 176.870 -0.063 0.000 1.054 265 L CA -0.474 54.329 54.840 -0.062 0.000 0.856 265 L CB 0.715 42.728 42.059 -0.077 0.000 1.443 265 L HN 0.293 nan 8.230 nan 0.000 0.427 266 D N -0.475 119.888 120.400 -0.061 0.000 2.360 266 D HA 0.087 4.722 4.640 -0.007 0.000 0.210 266 D C -0.293 175.958 176.300 -0.082 0.000 1.047 266 D CA 0.596 54.557 54.000 -0.064 0.000 0.854 266 D CB 0.839 41.608 40.800 -0.052 0.000 0.936 266 D HN 0.786 nan 8.370 nan 0.000 0.514 267 E N -0.700 119.446 120.200 -0.090 0.000 2.363 267 E HA 0.530 4.875 4.350 -0.007 0.000 0.281 267 E C -0.779 175.753 176.600 -0.112 0.000 0.953 267 E CA -1.141 55.191 56.400 -0.113 0.000 0.778 267 E CB 1.254 30.895 29.700 -0.098 0.000 1.220 267 E HN -0.122 nan 8.360 nan 0.000 0.431 268 G N 2.303 111.017 108.800 -0.144 0.000 2.335 268 G HA2 0.553 4.508 3.960 -0.007 0.000 0.316 268 G HA3 0.553 4.508 3.960 -0.007 0.000 0.316 268 G C -0.565 174.295 174.900 -0.067 0.000 1.129 268 G CA -0.647 44.392 45.100 -0.102 0.000 0.899 268 G HN 0.361 nan 8.290 nan 0.000 0.448 269 R N 1.276 121.765 120.500 -0.018 0.000 2.856 269 R HA 0.675 5.010 4.340 -0.007 0.000 0.258 269 R C 0.246 176.582 176.300 0.060 0.000 1.066 269 R CA -0.834 55.278 56.100 0.020 0.000 1.045 269 R CB 1.617 31.920 30.300 0.005 0.000 1.178 269 R HN 0.621 nan 8.270 nan 0.000 0.499 270 A N 0.662 123.527 122.820 0.075 0.000 2.584 270 A HA 0.318 4.634 4.320 -0.007 0.000 0.239 270 A C 1.285 178.905 177.584 0.060 0.000 1.043 270 A CA 1.245 53.328 52.037 0.077 0.000 0.756 270 A CB -0.840 18.199 19.000 0.064 0.000 0.963 270 A HN 0.944 nan 8.150 nan 0.000 0.511 271 G N 1.620 110.460 108.800 0.066 0.000 2.336 271 G HA2 -0.236 3.719 3.960 -0.007 0.000 0.233 271 G HA3 -0.236 3.719 3.960 -0.007 0.000 0.233 271 G C 0.163 175.110 174.900 0.078 0.000 1.053 271 G CA 0.376 45.514 45.100 0.064 0.000 0.625 271 G HN 0.917 nan 8.290 nan 0.000 0.511 272 E N 1.362 121.601 120.200 0.065 0.000 2.351 272 E HA 0.276 4.622 4.350 -0.007 0.000 0.266 272 E C 0.052 176.689 176.600 0.062 0.000 1.031 272 E CA -0.153 56.277 56.400 0.050 0.000 0.911 272 E CB 0.463 30.155 29.700 -0.013 0.000 0.986 272 E HN 0.385 nan 8.360 nan 0.000 0.446 273 N N 3.261 122.035 118.700 0.122 0.000 2.401 273 N HA 0.103 4.838 4.740 -0.007 0.000 0.255 273 N C -0.605 174.921 175.510 0.027 0.000 1.110 273 N CA -0.319 52.828 53.050 0.162 0.000 0.949 273 N CB 0.530 39.221 38.487 0.341 0.000 1.110 273 N HN 0.325 nan 8.380 nan 0.000 0.490 274 V N 0.750 120.680 119.914 0.027 0.000 3.221 274 V HA 0.963 5.078 4.120 -0.007 0.000 0.305 274 V C 0.246 176.373 176.094 0.055 0.000 1.263 274 V CA -0.812 61.472 62.300 -0.026 0.000 1.048 274 V CB 1.316 33.115 31.823 -0.040 0.000 1.203 274 V HN 0.510 nan 8.190 nan 0.000 0.476 275 G N -0.162 108.665 108.800 0.044 0.000 2.704 275 G HA2 0.580 4.535 3.960 -0.007 0.000 0.280 275 G HA3 0.580 4.535 3.960 -0.007 0.000 0.280 275 G C -1.385 173.535 174.900 0.033 0.000 1.499 275 G CA -0.350 44.806 45.100 0.094 0.000 1.146 275 G HN 0.888 nan 8.290 nan 0.000 0.558 276 V N 3.636 123.572 119.914 0.036 0.000 2.406 276 V HA 0.372 4.488 4.120 -0.007 0.000 0.272 276 V C 0.444 176.518 176.094 -0.033 0.000 1.043 276 V CA -0.626 61.674 62.300 -0.000 0.000 0.915 276 V CB 1.384 33.230 31.823 0.038 0.000 0.988 276 V HN 0.679 nan 8.190 nan 0.000 0.466 277 L N 6.443 127.630 121.223 -0.061 0.000 2.292 277 L HA 0.534 4.870 4.340 -0.007 0.000 0.284 277 L C -0.392 176.441 176.870 -0.061 0.000 1.065 277 L CA -0.064 54.725 54.840 -0.084 0.000 0.806 277 L CB 0.858 42.862 42.059 -0.091 0.000 1.175 277 L HN 0.547 nan 8.230 nan 0.000 0.431 278 L N 4.145 125.333 121.223 -0.058 0.000 2.421 278 L HA 0.596 4.931 4.340 -0.007 0.000 0.267 278 L C -0.186 176.659 176.870 -0.041 0.000 1.036 278 L CA -1.002 53.815 54.840 -0.039 0.000 0.829 278 L CB 1.327 43.371 42.059 -0.025 0.000 1.437 278 L HN 0.530 nan 8.230 nan 0.000 0.488 279 R N -0.369 120.112 120.500 -0.031 0.000 2.310 279 R HA 0.400 4.736 4.340 -0.007 0.000 0.324 279 R C 0.437 176.721 176.300 -0.025 0.000 0.955 279 R CA 0.375 56.457 56.100 -0.029 0.000 0.830 279 R CB 1.026 31.311 30.300 -0.025 0.000 1.154 279 R HN 0.822 nan 8.270 nan 0.000 0.458 280 G N 4.232 113.016 108.800 -0.028 0.000 2.212 280 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.267 280 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.267 280 G C 0.025 174.912 174.900 -0.022 0.000 1.002 280 G CA 0.689 45.775 45.100 -0.024 0.000 0.729 280 G HN 0.622 nan 8.290 nan 0.000 0.517 281 I N 0.372 120.927 120.570 -0.025 0.000 2.307 281 I HA 0.450 4.616 4.170 -0.007 0.000 0.289 281 I C 0.744 176.847 176.117 -0.024 0.000 1.021 281 I CA -1.058 60.229 61.300 -0.022 0.000 1.224 281 I CB 0.457 38.446 38.000 -0.019 0.000 1.376 281 I HN 0.115 nan 8.210 nan 0.000 0.470 282 K N 6.930 127.318 120.400 -0.020 0.000 2.469 282 K HA 0.002 4.318 4.320 -0.007 0.000 0.274 282 K C 1.515 178.106 176.600 -0.015 0.000 0.983 282 K CA -0.266 56.011 56.287 -0.018 0.000 0.974 282 K CB 0.715 33.207 32.500 -0.014 0.000 0.913 282 K HN 0.665 nan 8.250 nan 0.000 0.493 283 R N 4.130 124.622 120.500 -0.012 0.000 2.091 283 R HA -0.224 4.112 4.340 -0.007 0.000 0.238 283 R C 0.983 177.284 176.300 0.002 0.000 1.136 283 R CA 2.423 58.522 56.100 -0.002 0.000 0.959 283 R CB -1.022 29.283 30.300 0.009 0.000 0.856 283 R HN 0.901 nan 8.270 nan 0.000 0.437 284 E N 0.755 120.954 120.200 -0.001 0.000 2.515 284 E HA -0.098 4.248 4.350 -0.007 0.000 0.201 284 E C 0.591 177.183 176.600 -0.013 0.000 1.071 284 E CA 0.812 57.209 56.400 -0.004 0.000 0.880 284 E CB -0.038 29.659 29.700 -0.005 0.000 0.828 284 E HN 0.639 nan 8.360 nan 0.000 0.540 285 E N 0.612 120.803 120.200 -0.014 0.000 2.476 285 E HA 0.221 4.567 4.350 -0.007 0.000 0.199 285 E C 0.182 176.769 176.600 -0.021 0.000 1.021 285 E CA 0.018 56.406 56.400 -0.020 0.000 0.907 285 E CB 0.588 30.276 29.700 -0.019 0.000 0.974 285 E HN 0.321 nan 8.360 nan 0.000 0.489 286 I N 1.953 122.515 120.570 -0.013 0.000 2.498 286 I HA 0.270 4.436 4.170 -0.007 0.000 0.290 286 I C -0.345 175.770 176.117 -0.002 0.000 1.032 286 I CA -0.823 60.472 61.300 -0.009 0.000 1.073 286 I CB 1.802 39.802 38.000 0.000 0.000 1.251 286 I HN -0.044 nan 8.210 nan 0.000 0.426 287 E N 5.559 125.753 120.200 -0.009 0.000 2.416 287 E HA 0.479 4.825 4.350 -0.007 0.000 0.273 287 E C -0.871 175.729 176.600 -0.000 0.000 0.935 287 E CA -1.214 55.184 56.400 -0.004 0.000 0.784 287 E CB 1.951 31.638 29.700 -0.023 0.000 1.301 287 E HN 0.507 nan 8.360 nan 0.000 0.454 288 R N 0.034 120.542 120.500 0.013 0.000 2.640 288 R HA 0.202 4.538 4.340 -0.007 0.000 0.270 288 R C 0.788 177.086 176.300 -0.004 0.000 1.024 288 R CA 1.900 58.009 56.100 0.015 0.000 1.085 288 R CB -0.099 30.219 30.300 0.029 0.000 0.963 288 R HN 0.937 nan 8.270 nan 0.000 0.426 289 G N 1.774 110.565 108.800 -0.015 0.000 2.308 289 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.221 289 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.221 289 G C 0.083 174.963 174.900 -0.034 0.000 1.032 289 G CA 0.136 45.219 45.100 -0.029 0.000 0.623 289 G HN 0.623 nan 8.290 nan 0.000 0.506 290 Q N -0.153 119.627 119.800 -0.034 0.000 2.500 290 Q HA 0.598 4.934 4.340 -0.007 0.000 0.215 290 Q C -0.446 175.527 176.000 -0.044 0.000 1.062 290 Q CA 0.243 56.019 55.803 -0.044 0.000 0.996 290 Q CB 1.922 30.636 28.738 -0.040 0.000 1.239 290 Q HN 0.356 nan 8.270 nan 0.000 0.578 291 V N 1.311 121.189 119.914 -0.059 0.000 2.841 291 V HA 0.356 4.472 4.120 -0.007 0.000 0.310 291 V C -1.109 174.932 176.094 -0.089 0.000 1.090 291 V CA -0.673 61.581 62.300 -0.078 0.000 0.930 291 V CB 2.022 33.786 31.823 -0.098 0.000 1.014 291 V HN 0.537 nan 8.190 nan 0.000 0.425 292 L N 4.972 126.127 121.223 -0.112 0.000 2.292 292 L HA 0.869 5.205 4.340 -0.007 0.000 0.284 292 L C 0.145 176.820 176.870 -0.325 0.000 1.065 292 L CA -0.072 54.713 54.840 -0.091 0.000 0.806 292 L CB 1.491 43.600 42.059 0.083 0.000 1.175 292 L HN 0.821 nan 8.230 nan 0.000 0.431 293 A N 3.439 126.153 122.820 -0.178 0.000 2.612 293 A HA 0.375 4.691 4.320 -0.007 0.000 0.293 293 A C -1.024 176.571 177.584 0.018 0.000 1.075 293 A CA -0.805 51.092 52.037 -0.235 0.000 0.680 293 A CB 1.454 20.338 19.000 -0.193 0.000 1.279 293 A HN 0.640 nan 8.150 nan 0.000 0.411 294 K N 1.241 121.687 120.400 0.076 0.000 2.472 294 K HA 0.204 4.520 4.320 -0.007 0.000 0.280 294 K C -2.342 174.288 176.600 0.049 0.000 1.028 294 K CA -0.986 55.374 56.287 0.121 0.000 1.045 294 K CB 0.024 32.593 32.500 0.115 0.000 0.902 294 K HN 0.284 nan 8.250 nan 0.000 0.478 295 P HA -0.109 nan 4.420 nan 0.000 0.255 295 P C 0.291 177.597 177.300 0.010 0.000 1.161 295 P CA 1.349 64.460 63.100 0.019 0.000 0.768 295 P CB 0.431 32.143 31.700 0.020 0.000 0.746 296 G N 2.717 111.515 108.800 -0.003 0.000 2.234 296 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.235 296 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.235 296 G C 1.116 176.013 174.900 -0.006 0.000 0.997 296 G CA 0.470 45.567 45.100 -0.005 0.000 0.623 296 G HN 0.550 nan 8.290 nan 0.000 0.514 297 T N -1.590 112.960 114.554 -0.006 0.000 3.035 297 T HA 0.498 4.844 4.350 -0.007 0.000 0.268 297 T C 0.926 175.614 174.700 -0.019 0.000 1.109 297 T CA 1.332 63.427 62.100 -0.008 0.000 1.119 297 T CB 0.636 69.501 68.868 -0.005 0.000 0.900 297 T HN 1.122 nan 8.240 nan 0.000 0.503 298 I N 0.459 121.008 120.570 -0.035 0.000 2.644 298 I HA 0.413 4.579 4.170 -0.007 0.000 0.291 298 I C -1.692 174.382 176.117 -0.072 0.000 1.180 298 I CA -1.062 60.211 61.300 -0.045 0.000 1.040 298 I CB 1.833 39.795 38.000 -0.062 0.000 1.255 298 I HN -0.153 nan 8.210 nan 0.000 0.422 299 K N 7.904 128.252 120.400 -0.088 0.000 2.203 299 K HA 0.620 4.936 4.320 -0.007 0.000 0.251 299 K C -2.707 173.673 176.600 -0.367 0.000 0.944 299 K CA -1.907 54.262 56.287 -0.196 0.000 0.829 299 K CB 1.677 34.068 32.500 -0.181 0.000 1.125 299 K HN 0.307 nan 8.250 nan 0.000 0.430 300 P HA 0.287 nan 4.420 nan 0.000 0.282 300 P C -0.806 176.087 177.300 -0.678 0.000 1.249 300 P CA -0.084 62.773 63.100 -0.405 0.000 0.806 300 P CB 1.060 32.617 31.700 -0.237 0.000 0.984 301 H N 0.264 119.262 119.070 -0.120 0.000 2.980 301 H HA 0.318 4.871 4.556 -0.006 0.000 0.367 301 H C 0.431 175.702 175.328 -0.095 0.000 1.206 301 H CA -0.359 55.635 56.048 -0.090 0.000 1.126 301 H CB 2.043 31.757 29.762 -0.080 0.000 1.838 301 H HN 0.282 nan 8.280 nan 0.000 0.552 302 T N -0.141 114.477 114.554 0.106 0.000 3.019 302 T HA 0.112 4.458 4.350 -0.007 0.000 0.247 302 T C 0.686 175.429 174.700 0.072 0.000 0.992 302 T CA 0.127 62.249 62.100 0.037 0.000 1.036 302 T CB 1.210 70.080 68.868 0.004 0.000 1.063 302 T HN 0.218 nan 8.240 nan 0.000 0.476 303 K N 1.016 121.468 120.400 0.086 0.000 2.207 303 K HA 0.603 4.918 4.320 -0.007 0.000 0.255 303 K C -1.631 175.043 176.600 0.122 0.000 0.941 303 K CA -0.990 55.293 56.287 -0.008 0.000 0.825 303 K CB 1.187 33.651 32.500 -0.061 0.000 1.119 303 K HN 0.224 nan 8.250 nan 0.000 0.430 304 F N -0.884 118.996 119.950 -0.117 0.000 2.741 304 F HA 0.412 4.934 4.527 -0.008 0.000 0.311 304 F C -1.397 174.378 175.800 -0.042 0.000 1.149 304 F CA -1.144 56.805 58.000 -0.086 0.000 0.930 304 F CB 0.964 39.918 39.000 -0.076 0.000 1.312 304 F HN 0.379 nan 8.300 nan 0.000 0.450 305 E N 1.256 121.538 120.200 0.137 0.000 2.179 305 E HA 0.640 4.986 4.350 -0.007 0.000 0.275 305 E C -1.155 175.608 176.600 0.272 0.000 0.945 305 E CA -0.941 55.512 56.400 0.089 0.000 0.792 305 E CB 2.129 31.878 29.700 0.081 0.000 1.125 305 E HN 0.764 nan 8.360 nan 0.000 0.397 306 S N 1.977 117.838 115.700 0.268 0.000 2.564 306 S HA 0.421 4.887 4.470 -0.007 0.000 0.274 306 S C -0.695 174.083 174.600 0.296 0.000 1.124 306 S CA -1.155 57.296 58.200 0.419 0.000 0.869 306 S CB 1.972 65.647 63.200 0.791 0.000 1.105 306 S HN 0.283 nan 8.310 nan 0.000 0.472 307 E N 1.080 121.427 120.200 0.245 0.000 2.174 307 E HA 0.610 4.956 4.350 -0.007 0.000 0.282 307 E C -0.979 175.711 176.600 0.151 0.000 0.992 307 E CA -0.515 55.986 56.400 0.167 0.000 0.803 307 E CB 1.767 31.536 29.700 0.115 0.000 1.090 307 E HN 0.504 nan 8.360 nan 0.000 0.396 308 V N 3.744 123.761 119.914 0.171 0.000 2.823 308 V HA 0.341 4.457 4.120 -0.007 0.000 0.312 308 V C -1.208 174.989 176.094 0.170 0.000 1.072 308 V CA -0.924 61.475 62.300 0.164 0.000 0.937 308 V CB 1.900 33.885 31.823 0.270 0.000 1.013 308 V HN 0.588 nan 8.190 nan 0.000 0.430 309 Y N 4.838 125.149 120.300 0.019 0.000 2.361 309 Y HA 0.655 5.200 4.550 -0.008 0.000 0.337 309 Y C -0.861 175.058 175.900 0.031 0.000 0.965 309 Y CA -1.208 56.898 58.100 0.010 0.000 1.091 309 Y CB 1.364 39.805 38.460 -0.031 0.000 1.182 309 Y HN 0.420 nan 8.280 nan 0.000 0.450 310 I N 7.510 127.541 120.570 -0.899 0.000 2.336 310 I HA 0.247 4.412 4.170 -0.007 0.000 0.292 310 I C -0.083 175.456 176.117 -0.964 0.000 0.991 310 I CA -0.728 60.192 61.300 -0.634 0.000 1.227 310 I CB 1.117 38.967 38.000 -0.251 0.000 1.366 310 I HN 0.638 nan 8.210 nan 0.000 0.466 311 L N 5.243 126.174 121.223 -0.487 0.000 2.485 311 L HA 0.086 4.422 4.340 -0.007 0.000 0.275 311 L C 1.146 177.947 176.870 -0.116 0.000 1.207 311 L CA -0.007 54.714 54.840 -0.197 0.000 0.855 311 L CB 0.424 42.472 42.059 -0.017 0.000 1.114 311 L HN 0.747 nan 8.230 nan 0.000 0.485 312 S N 1.917 117.613 115.700 -0.007 0.000 2.645 312 S HA 0.131 4.596 4.470 -0.007 0.000 0.266 312 S C 0.883 175.480 174.600 -0.005 0.000 1.258 312 S CA -0.640 57.555 58.200 -0.009 0.000 0.990 312 S CB 1.445 64.664 63.200 0.030 0.000 0.967 312 S HN 0.720 nan 8.310 nan 0.000 0.556 313 K N 0.388 120.769 120.400 -0.033 0.000 2.032 313 K HA -0.196 4.120 4.320 -0.007 0.000 0.209 313 K C 1.026 177.601 176.600 -0.041 0.000 1.048 313 K CA 2.081 58.330 56.287 -0.062 0.000 0.927 313 K CB -0.583 31.794 32.500 -0.205 0.000 0.712 313 K HN 0.657 nan 8.250 nan 0.000 0.441 314 D N 0.817 121.195 120.400 -0.037 0.000 2.218 314 D HA -0.119 4.517 4.640 -0.007 0.000 0.204 314 D C 0.998 177.303 176.300 0.009 0.000 0.976 314 D CA 1.086 55.075 54.000 -0.017 0.000 0.853 314 D CB 0.046 40.838 40.800 -0.013 0.000 0.939 314 D HN 0.434 nan 8.370 nan 0.000 0.481 315 E N -0.816 119.399 120.200 0.026 0.000 2.489 315 E HA 0.236 4.582 4.350 -0.007 0.000 0.193 315 E C 1.066 177.689 176.600 0.037 0.000 1.057 315 E CA 0.284 56.709 56.400 0.042 0.000 0.866 315 E CB 0.419 30.169 29.700 0.083 0.000 0.916 315 E HN 0.254 nan 8.360 nan 0.000 0.500 316 G N 0.853 109.674 108.800 0.035 0.000 2.141 316 G HA2 -0.222 3.734 3.960 -0.007 0.000 0.231 316 G HA3 -0.222 3.734 3.960 -0.007 0.000 0.231 316 G C 0.483 175.415 174.900 0.053 0.000 0.984 316 G CA -0.250 44.876 45.100 0.045 0.000 0.660 316 G HN 0.483 nan 8.290 nan 0.000 0.525 317 G N -0.549 108.281 108.800 0.050 0.000 2.574 317 G HA2 0.613 4.569 3.960 -0.007 0.000 0.248 317 G HA3 0.613 4.569 3.960 -0.007 0.000 0.248 317 G C 0.435 175.395 174.900 0.100 0.000 1.422 317 G CA -0.654 44.471 45.100 0.043 0.000 1.051 317 G HN 0.543 nan 8.290 nan 0.000 0.560 318 R N -0.947 119.596 120.500 0.072 0.000 2.756 318 R HA 0.116 4.452 4.340 -0.007 0.000 0.264 318 R C 0.915 177.333 176.300 0.197 0.000 1.026 318 R CA 0.101 56.264 56.100 0.106 0.000 1.121 318 R CB 0.421 30.753 30.300 0.053 0.000 0.999 318 R HN 0.669 nan 8.270 nan 0.000 0.449 319 H N -0.583 118.480 119.070 -0.010 0.000 2.520 319 H HA 0.013 4.565 4.556 -0.007 0.000 0.279 319 H C 0.549 175.867 175.328 -0.017 0.000 0.990 319 H CA 0.728 56.770 56.048 -0.011 0.000 1.288 319 H CB 0.774 30.536 29.762 0.000 0.000 1.446 319 H HN 0.623 nan 8.280 nan 0.000 0.538 320 T N -0.669 113.952 114.554 0.112 0.000 2.926 320 T HA 0.386 4.731 4.350 -0.007 0.000 0.289 320 T C -2.776 171.899 174.700 -0.042 0.000 1.054 320 T CA -2.211 59.916 62.100 0.044 0.000 1.015 320 T CB 2.774 71.690 68.868 0.080 0.000 1.167 320 T HN -0.113 nan 8.240 nan 0.000 0.526 321 P HA 0.471 nan 4.420 nan 0.000 0.281 321 P C -1.094 175.929 177.300 -0.462 0.000 1.264 321 P CA -0.620 62.255 63.100 -0.375 0.000 0.824 321 P CB 0.578 32.000 31.700 -0.464 0.000 1.092 322 F N -1.079 118.451 119.950 -0.701 0.000 2.575 322 F HA 0.746 5.269 4.527 -0.007 0.000 0.330 322 F C -0.667 174.566 175.800 -0.946 0.000 1.056 322 F CA -1.186 56.401 58.000 -0.689 0.000 0.964 322 F CB 0.548 39.073 39.000 -0.793 0.000 1.258 322 F HN 0.082 nan 8.300 nan 0.000 0.484 323 F N 0.092 120.170 119.950 0.213 0.000 2.732 323 F HA 0.428 4.951 4.527 -0.007 0.000 0.394 323 F C 1.620 177.571 175.800 0.252 0.000 1.194 323 F CA -0.980 57.103 58.000 0.139 0.000 1.127 323 F CB 0.550 39.596 39.000 0.076 0.000 1.470 323 F HN 0.457 nan 8.300 nan 0.000 0.505 324 K N 0.300 120.916 120.400 0.360 0.000 2.074 324 K HA -0.123 4.193 4.320 -0.007 0.000 0.209 324 K C 1.566 178.314 176.600 0.247 0.000 1.048 324 K CA 1.780 58.222 56.287 0.258 0.000 0.926 324 K CB -1.510 31.097 32.500 0.179 0.000 0.713 324 K HN 0.775 nan 8.250 nan 0.000 0.444 325 G N 0.641 109.589 108.800 0.248 0.000 2.956 325 G HA2 -0.162 3.794 3.960 -0.007 0.000 0.207 325 G HA3 -0.162 3.794 3.960 -0.007 0.000 0.207 325 G C -0.083 174.947 174.900 0.217 0.000 1.162 325 G CA -0.452 44.763 45.100 0.192 0.000 0.796 325 G HN 0.332 nan 8.290 nan 0.000 0.527 326 Y N 1.552 121.914 120.300 0.104 0.000 2.721 326 Y HA 0.120 4.665 4.550 -0.008 0.000 0.329 326 Y C 0.897 176.767 175.900 -0.050 0.000 1.211 326 Y CA -0.594 57.485 58.100 -0.035 0.000 1.512 326 Y CB 0.301 38.607 38.460 -0.256 0.000 1.249 326 Y HN 0.135 nan 8.280 nan 0.000 0.549 327 R N 9.053 129.357 120.500 -0.326 0.000 2.564 327 R HA 0.341 4.677 4.340 -0.007 0.000 0.282 327 R C -2.864 173.150 176.300 -0.476 0.000 1.573 327 R CA -1.629 54.294 56.100 -0.294 0.000 1.588 327 R CB 0.536 30.771 30.300 -0.108 0.000 1.154 327 R HN 0.492 nan 8.270 nan 0.000 0.606 328 P HA 0.300 nan 4.420 nan 0.000 0.317 328 P C -1.080 175.991 177.300 -0.382 0.000 1.307 328 P CA -0.541 62.138 63.100 -0.701 0.000 0.749 328 P CB 1.058 32.116 31.700 -1.070 0.000 1.377 329 Q N -1.210 118.373 119.800 -0.362 0.000 2.309 329 Q HA 0.540 4.876 4.340 -0.007 0.000 0.264 329 Q C -1.216 174.597 176.000 -0.311 0.000 1.008 329 Q CA -0.123 55.591 55.803 -0.147 0.000 0.853 329 Q CB 1.098 29.820 28.738 -0.028 0.000 1.314 329 Q HN 0.264 nan 8.270 nan 0.000 0.448 330 F N 1.622 121.594 119.950 0.036 0.000 2.361 330 F HA 0.271 4.794 4.527 -0.007 0.000 0.364 330 F C -0.667 175.149 175.800 0.027 0.000 1.117 330 F CA -0.826 57.172 58.000 -0.004 0.000 1.071 330 F CB 0.686 39.670 39.000 -0.027 0.000 1.188 330 F HN 0.466 nan 8.300 nan 0.000 0.464 331 Y N 4.510 124.788 120.300 -0.037 0.000 2.504 331 Y HA 0.396 4.941 4.550 -0.007 0.000 0.351 331 Y C -1.112 174.723 175.900 -0.107 0.000 0.988 331 Y CA -0.749 57.351 58.100 -0.000 0.000 1.239 331 Y CB 0.008 38.466 38.460 -0.003 0.000 1.128 331 Y HN 0.403 nan 8.280 nan 0.000 0.525 332 F N 6.669 126.538 119.950 -0.134 0.000 2.334 332 F HA 0.411 4.933 4.527 -0.008 0.000 0.367 332 F C 0.918 176.590 175.800 -0.213 0.000 1.115 332 F CA -0.565 57.389 58.000 -0.077 0.000 1.116 332 F CB 0.936 39.886 39.000 -0.083 0.000 1.230 332 F HN 0.653 nan 8.300 nan 0.000 0.484 333 R N -0.108 120.422 120.500 0.049 0.000 1.206 333 R HA -0.295 4.041 4.340 -0.007 0.000 0.020 333 R C 1.321 177.604 176.300 -0.029 0.000 0.960 333 R CA 2.415 58.541 56.100 0.044 0.000 1.963 333 R CB -1.632 28.693 30.300 0.042 0.000 0.163 333 R HN 0.674 nan 8.270 nan 0.000 0.724 334 T N -3.558 110.856 114.554 -0.234 0.000 3.058 334 T HA 0.307 4.653 4.350 -0.007 0.000 0.278 334 T C 0.160 174.608 174.700 -0.421 0.000 0.974 334 T CA 0.516 62.504 62.100 -0.188 0.000 0.893 334 T CB 1.307 70.165 68.868 -0.016 0.000 1.138 334 T HN 0.346 nan 8.240 nan 0.000 0.529 335 T N 0.986 115.049 114.554 -0.818 0.000 2.840 335 T HA 0.419 4.764 4.350 -0.007 0.000 0.317 335 T C -2.184 172.318 174.700 -0.329 0.000 1.401 335 T CA -0.529 61.305 62.100 -0.443 0.000 1.028 335 T CB 1.849 70.661 68.868 -0.094 0.000 1.317 335 T HN 0.026 nan 8.240 nan 0.000 0.495 336 D N 1.528 121.953 120.400 0.042 0.000 2.256 336 D HA 0.521 5.157 4.640 -0.007 0.000 0.250 336 D C -0.569 175.820 176.300 0.147 0.000 1.093 336 D CA 0.114 54.214 54.000 0.167 0.000 0.882 336 D CB 1.551 42.467 40.800 0.193 0.000 1.185 336 D HN 0.236 nan 8.370 nan 0.000 0.437 337 V N 2.640 122.661 119.914 0.179 0.000 2.482 337 V HA 0.191 4.307 4.120 -0.007 0.000 0.295 337 V C 0.436 176.593 176.094 0.105 0.000 1.026 337 V CA -0.815 61.519 62.300 0.056 0.000 0.856 337 V CB 1.811 33.631 31.823 -0.005 0.000 1.001 337 V HN 0.502 nan 8.190 nan 0.000 0.424 338 T N 3.557 118.121 114.554 0.017 0.000 2.906 338 T HA 0.481 4.826 4.350 -0.007 0.000 0.320 338 T C 0.527 175.271 174.700 0.074 0.000 1.088 338 T CA 0.594 62.726 62.100 0.053 0.000 1.120 338 T CB 0.896 69.760 68.868 -0.006 0.000 1.000 338 T HN 1.063 nan 8.240 nan 0.000 0.550 339 G N 0.533 109.429 108.800 0.160 0.000 2.704 339 G HA2 0.545 4.501 3.960 -0.007 0.000 0.293 339 G HA3 0.545 4.501 3.960 -0.007 0.000 0.293 339 G C -0.995 173.931 174.900 0.043 0.000 1.421 339 G CA -0.586 44.547 45.100 0.055 0.000 0.870 339 G HN 0.643 nan 8.290 nan 0.000 0.492 340 T N 0.866 115.382 114.554 -0.063 0.000 2.875 340 T HA 0.579 4.925 4.350 -0.007 0.000 0.284 340 T C 0.047 174.709 174.700 -0.063 0.000 0.995 340 T CA -0.023 62.051 62.100 -0.043 0.000 1.060 340 T CB 0.650 69.487 68.868 -0.052 0.000 0.967 340 T HN 0.296 nan 8.240 nan 0.000 0.476 341 I N 2.657 123.236 120.570 0.015 0.000 2.441 341 I HA 0.375 4.541 4.170 -0.007 0.000 0.295 341 I C 0.266 176.412 176.117 0.048 0.000 0.994 341 I CA -0.623 60.705 61.300 0.047 0.000 1.144 341 I CB 1.935 40.044 38.000 0.182 0.000 1.314 341 I HN 0.508 nan 8.210 nan 0.000 0.445 342 E N 6.404 126.614 120.200 0.015 0.000 2.102 342 E HA 0.446 4.791 4.350 -0.007 0.000 0.263 342 E C -1.000 175.631 176.600 0.052 0.000 0.894 342 E CA -0.500 55.914 56.400 0.023 0.000 0.746 342 E CB 1.215 30.902 29.700 -0.021 0.000 1.129 342 E HN 0.458 nan 8.360 nan 0.000 0.416 343 L N 4.355 125.627 121.223 0.083 0.000 2.456 343 L HA 0.395 4.730 4.340 -0.007 0.000 0.257 343 L C -1.885 175.020 176.870 0.057 0.000 1.162 343 L CA -1.937 52.956 54.840 0.089 0.000 0.808 343 L CB 0.163 42.284 42.059 0.102 0.000 1.136 343 L HN 0.373 nan 8.230 nan 0.000 0.466 344 P HA 0.021 nan 4.420 nan 0.000 0.271 344 P C -0.801 176.519 177.300 0.033 0.000 1.233 344 P CA -0.399 62.724 63.100 0.038 0.000 0.789 344 P CB 0.359 32.081 31.700 0.036 0.000 0.951 345 E N 0.635 120.851 120.200 0.027 0.000 2.414 345 E HA 0.195 4.541 4.350 -0.007 0.000 0.263 345 E C 1.496 178.109 176.600 0.022 0.000 1.000 345 E CA 1.204 57.618 56.400 0.024 0.000 0.914 345 E CB -0.162 29.549 29.700 0.019 0.000 0.948 345 E HN 0.772 nan 8.360 nan 0.000 0.444 346 G N 1.736 110.550 108.800 0.023 0.000 2.184 346 G HA2 -0.274 3.681 3.960 -0.007 0.000 0.264 346 G HA3 -0.274 3.681 3.960 -0.007 0.000 0.264 346 G C 0.176 175.087 174.900 0.019 0.000 0.975 346 G CA 0.351 45.462 45.100 0.020 0.000 0.642 346 G HN 0.368 nan 8.290 nan 0.000 0.536 347 V N 1.293 121.220 119.914 0.022 0.000 2.370 347 V HA 0.577 4.693 4.120 -0.007 0.000 0.283 347 V C 0.683 176.794 176.094 0.029 0.000 1.023 347 V CA 0.276 62.583 62.300 0.012 0.000 0.857 347 V CB 1.433 33.258 31.823 0.004 0.000 0.985 347 V HN 0.545 nan 8.190 nan 0.000 0.443 348 E N 4.367 124.586 120.200 0.032 0.000 2.759 348 E HA 0.356 4.702 4.350 -0.007 0.000 0.220 348 E C -0.125 176.536 176.600 0.102 0.000 0.974 348 E CA -0.253 56.203 56.400 0.094 0.000 1.148 348 E CB 1.279 31.054 29.700 0.126 0.000 1.059 348 E HN 0.602 nan 8.360 nan 0.000 0.493 349 M N 1.566 121.108 119.600 -0.097 0.000 2.284 349 M HA 0.321 4.796 4.480 -0.007 0.000 0.281 349 M C -2.333 173.678 176.300 -0.482 0.000 1.083 349 M CA -0.683 54.385 55.300 -0.387 0.000 0.965 349 M CB 2.438 34.906 32.600 -0.219 0.000 1.717 349 M HN -0.096 nan 8.290 nan 0.000 0.479 350 V N 5.795 125.202 119.914 -0.845 0.000 2.409 350 V HA 0.541 4.657 4.120 -0.007 0.000 0.291 350 V C -0.261 175.312 176.094 -0.868 0.000 1.020 350 V CA -0.454 61.319 62.300 -0.878 0.000 0.848 350 V CB 1.833 32.873 31.823 -1.305 0.000 0.990 350 V HN 0.961 nan 8.190 nan 0.000 0.430 351 M N 5.577 124.876 119.600 -0.502 0.000 2.528 351 M HA 0.495 4.971 4.480 -0.007 0.000 0.318 351 M C -2.580 173.556 176.300 -0.273 0.000 1.195 351 M CA -1.858 53.230 55.300 -0.353 0.000 1.000 351 M CB 1.890 34.357 32.600 -0.221 0.000 1.615 351 M HN 0.308 nan 8.290 nan 0.000 0.469 352 P HA 0.102 nan 4.420 nan 0.000 0.267 352 P C 0.421 177.644 177.300 -0.129 0.000 1.209 352 P CA 0.916 63.926 63.100 -0.149 0.000 0.763 352 P CB 0.451 32.100 31.700 -0.086 0.000 0.816 353 G N 1.898 110.588 108.800 -0.182 0.000 2.179 353 G HA2 -0.166 3.790 3.960 -0.007 0.000 0.220 353 G HA3 -0.166 3.790 3.960 -0.007 0.000 0.220 353 G C -0.061 174.866 174.900 0.045 0.000 0.990 353 G CA -0.436 44.648 45.100 -0.027 0.000 0.646 353 G HN 0.469 nan 8.290 nan 0.000 0.517 354 D N 0.954 121.290 120.400 -0.107 0.000 2.313 354 D HA 0.515 5.151 4.640 -0.007 0.000 0.247 354 D C 0.233 176.559 176.300 0.044 0.000 1.094 354 D CA -0.163 53.817 54.000 -0.032 0.000 0.925 354 D CB 0.587 41.315 40.800 -0.120 0.000 1.188 354 D HN 0.138 nan 8.370 nan 0.000 0.430 355 N N 0.867 119.645 118.700 0.131 0.000 2.405 355 N HA 0.625 5.360 4.740 -0.007 0.000 0.299 355 N C -0.813 174.757 175.510 0.099 0.000 1.075 355 N CA -0.475 52.682 53.050 0.179 0.000 0.884 355 N CB 1.746 40.339 38.487 0.177 0.000 1.194 355 N HN 0.313 nan 8.380 nan 0.000 0.491 356 I N 0.016 120.653 120.570 0.111 0.000 2.842 356 I HA 0.261 4.427 4.170 -0.007 0.000 0.297 356 I C -1.356 174.841 176.117 0.132 0.000 1.380 356 I CA -0.587 60.771 61.300 0.097 0.000 1.018 356 I CB 1.648 39.688 38.000 0.067 0.000 1.311 356 I HN 0.295 nan 8.210 nan 0.000 0.439 357 K N 7.418 127.888 120.400 0.116 0.000 2.156 357 K HA 0.802 5.117 4.320 -0.007 0.000 0.271 357 K C -1.109 175.567 176.600 0.127 0.000 0.995 357 K CA -0.572 55.792 56.287 0.128 0.000 0.890 357 K CB 1.359 33.920 32.500 0.101 0.000 1.073 357 K HN 0.661 nan 8.250 nan 0.000 0.454 358 M N -0.407 119.278 119.600 0.142 0.000 2.433 358 M HA 0.387 4.862 4.480 -0.007 0.000 0.290 358 M C -1.089 175.210 176.300 -0.002 0.000 1.173 358 M CA -1.234 54.127 55.300 0.102 0.000 0.905 358 M CB 1.794 34.501 32.600 0.177 0.000 1.692 358 M HN 0.043 nan 8.290 nan 0.000 0.462 359 V N 3.359 123.231 119.914 -0.070 0.000 2.364 359 V HA 0.479 4.595 4.120 -0.007 0.000 0.272 359 V C -0.110 175.788 176.094 -0.327 0.000 1.036 359 V CA -0.565 61.619 62.300 -0.192 0.000 0.880 359 V CB 1.298 33.053 31.823 -0.114 0.000 0.991 359 V HN 0.729 nan 8.190 nan 0.000 0.460 360 V N 3.982 123.479 119.914 -0.695 0.000 2.630 360 V HA 0.554 4.669 4.120 -0.007 0.000 0.305 360 V C 0.284 175.956 176.094 -0.704 0.000 1.046 360 V CA -0.410 61.386 62.300 -0.839 0.000 0.934 360 V CB 2.109 33.038 31.823 -1.490 0.000 1.003 360 V HN 0.866 nan 8.190 nan 0.000 0.451 361 T N 5.148 119.437 114.554 -0.443 0.000 2.934 361 T HA 0.517 4.862 4.350 -0.007 0.000 0.328 361 T C -0.256 174.311 174.700 -0.222 0.000 1.068 361 T CA -0.303 61.636 62.100 -0.267 0.000 1.018 361 T CB 0.438 69.209 68.868 -0.163 0.000 1.009 361 T HN 0.355 nan 8.240 nan 0.000 0.471 362 L N 3.326 124.438 121.223 -0.185 0.000 2.464 362 L HA 0.387 4.723 4.340 -0.007 0.000 0.264 362 L C 2.108 178.886 176.870 -0.153 0.000 1.199 362 L CA -0.468 54.275 54.840 -0.163 0.000 0.818 362 L CB 0.440 42.413 42.059 -0.144 0.000 1.102 362 L HN 0.696 nan 8.230 nan 0.000 0.473 363 I N -1.533 118.910 120.570 -0.211 0.000 2.928 363 I HA 0.002 4.167 4.170 -0.007 0.000 0.266 363 I C 0.568 176.629 176.117 -0.093 0.000 1.234 363 I CA 0.505 61.713 61.300 -0.153 0.000 1.483 363 I CB -0.458 37.467 38.000 -0.125 0.000 1.097 363 I HN 0.615 nan 8.210 nan 0.000 0.455 364 H N -1.435 117.617 119.070 -0.029 0.000 3.042 364 H HA 0.510 5.062 4.556 -0.007 0.000 0.346 364 H C -3.269 172.016 175.328 -0.071 0.000 1.294 364 H CA -2.152 53.871 56.048 -0.043 0.000 1.141 364 H CB 0.657 30.397 29.762 -0.036 0.000 1.872 364 H HN -0.245 nan 8.280 nan 0.000 0.541 365 P HA 0.172 nan 4.420 nan 0.000 0.270 365 P C -0.698 176.575 177.300 -0.045 0.000 1.223 365 P CA -0.078 63.010 63.100 -0.021 0.000 0.785 365 P CB 0.528 32.196 31.700 -0.054 0.000 0.923 366 I N 0.865 121.326 120.570 -0.182 0.000 2.644 366 I HA 0.431 4.597 4.170 -0.007 0.000 0.291 366 I C -0.867 175.077 176.117 -0.288 0.000 1.180 366 I CA -1.003 60.136 61.300 -0.268 0.000 1.040 366 I CB 1.695 39.380 38.000 -0.526 0.000 1.255 366 I HN 0.326 nan 8.210 nan 0.000 0.422 367 A N 8.596 131.289 122.820 -0.210 0.000 2.545 367 A HA 0.566 4.881 4.320 -0.007 0.000 0.253 367 A C -0.100 177.386 177.584 -0.164 0.000 1.074 367 A CA 0.358 52.294 52.037 -0.169 0.000 0.760 367 A CB -0.418 18.507 19.000 -0.125 0.000 1.005 367 A HN 0.782 nan 8.150 nan 0.000 0.506 368 M N 1.464 121.004 119.600 -0.101 0.000 2.520 368 M HA 0.770 5.246 4.480 -0.007 0.000 0.280 368 M C -1.975 174.344 176.300 0.031 0.000 1.232 368 M CA -0.793 54.464 55.300 -0.072 0.000 0.892 368 M CB 2.251 34.709 32.600 -0.237 0.000 1.728 368 M HN 0.443 nan 8.290 nan 0.000 0.475 369 D N -0.178 120.228 120.400 0.011 0.000 2.523 369 D HA 0.524 5.159 4.640 -0.007 0.000 0.236 369 D C -1.654 174.657 176.300 0.017 0.000 1.094 369 D CA -0.645 53.369 54.000 0.023 0.000 0.942 369 D CB 1.154 41.969 40.800 0.025 0.000 1.447 369 D HN 0.489 nan 8.370 nan 0.000 0.479 370 D N -0.244 120.167 120.400 0.019 0.000 2.414 370 D HA 0.408 5.044 4.640 -0.007 0.000 0.242 370 D C 1.507 177.838 176.300 0.051 0.000 1.129 370 D CA 0.854 54.877 54.000 0.038 0.000 0.885 370 D CB 1.042 41.862 40.800 0.033 0.000 1.198 370 D HN 0.744 nan 8.370 nan 0.000 0.437 371 G N 1.068 109.910 108.800 0.071 0.000 2.195 371 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.246 371 G HA3 -0.247 3.709 3.960 -0.007 0.000 0.246 371 G C 0.303 175.247 174.900 0.073 0.000 0.984 371 G CA -0.254 44.886 45.100 0.065 0.000 0.633 371 G HN 0.506 nan 8.290 nan 0.000 0.525 372 L N 1.868 123.148 121.223 0.095 0.000 2.477 372 L HA 0.366 4.702 4.340 -0.007 0.000 0.272 372 L C 0.937 177.910 176.870 0.171 0.000 1.157 372 L CA -0.272 54.645 54.840 0.129 0.000 0.889 372 L CB 0.271 42.421 42.059 0.151 0.000 1.158 372 L HN 0.255 nan 8.230 nan 0.000 0.473 373 R N 5.001 125.565 120.500 0.106 0.000 2.500 373 R HA 0.532 4.868 4.340 -0.007 0.000 0.275 373 R C -0.867 175.475 176.300 0.070 0.000 1.051 373 R CA -0.223 55.889 56.100 0.019 0.000 1.088 373 R CB 1.139 31.425 30.300 -0.023 0.000 1.063 373 R HN 0.513 nan 8.270 nan 0.000 0.511 374 F N -1.361 118.522 119.950 -0.112 0.000 2.685 374 F HA 0.811 5.333 4.527 -0.008 0.000 0.315 374 F C -1.471 174.259 175.800 -0.116 0.000 1.126 374 F CA -1.412 56.419 58.000 -0.280 0.000 0.950 374 F CB 1.209 39.733 39.000 -0.793 0.000 1.360 374 F HN 0.520 nan 8.300 nan 0.000 0.469 375 A N 1.438 124.368 122.820 0.182 0.000 2.380 375 A HA 0.868 5.184 4.320 -0.007 0.000 0.315 375 A C -1.328 176.334 177.584 0.131 0.000 1.101 375 A CA -0.933 51.158 52.037 0.091 0.000 0.771 375 A CB 1.251 20.265 19.000 0.022 0.000 1.287 375 A HN 0.774 nan 8.150 nan 0.000 0.436 376 I N 1.546 122.118 120.570 0.004 0.000 2.378 376 I HA 0.459 4.624 4.170 -0.007 0.000 0.291 376 I C 0.018 176.049 176.117 -0.143 0.000 0.992 376 I CA -0.391 60.799 61.300 -0.182 0.000 1.154 376 I CB 1.559 39.453 38.000 -0.175 0.000 1.315 376 I HN 0.691 nan 8.210 nan 0.000 0.448 377 R N 4.999 125.392 120.500 -0.179 0.000 2.854 377 R HA 0.668 5.004 4.340 -0.007 0.000 0.271 377 R C -1.118 175.108 176.300 -0.124 0.000 0.994 377 R CA -1.031 55.000 56.100 -0.115 0.000 0.945 377 R CB 2.455 32.706 30.300 -0.082 0.000 1.194 377 R HN 0.524 nan 8.270 nan 0.000 0.476 378 E N 0.196 120.352 120.200 -0.072 0.000 2.241 378 E HA 0.252 4.598 4.350 -0.007 0.000 0.263 378 E C -0.141 176.436 176.600 -0.040 0.000 0.882 378 E CA -0.454 55.912 56.400 -0.057 0.000 0.769 378 E CB 1.980 31.677 29.700 -0.005 0.000 1.185 378 E HN 0.903 nan 8.360 nan 0.000 0.415 379 G N 2.374 111.153 108.800 -0.036 0.000 2.321 379 G HA2 -0.301 3.655 3.960 -0.007 0.000 0.287 379 G HA3 -0.301 3.655 3.960 -0.007 0.000 0.287 379 G C 0.918 175.805 174.900 -0.023 0.000 1.018 379 G CA 0.814 45.900 45.100 -0.023 0.000 0.855 379 G HN 1.159 nan 8.290 nan 0.000 0.507 380 G N -1.298 107.486 108.800 -0.027 0.000 2.241 380 G HA2 -0.250 3.706 3.960 -0.007 0.000 0.244 380 G HA3 -0.250 3.706 3.960 -0.007 0.000 0.244 380 G C 0.492 175.356 174.900 -0.059 0.000 0.998 380 G CA 1.051 46.132 45.100 -0.032 0.000 0.621 380 G HN 1.364 nan 8.290 nan 0.000 0.519 381 R N 1.252 121.721 120.500 -0.053 0.000 2.349 381 R HA 0.560 4.895 4.340 -0.007 0.000 0.299 381 R C -0.232 176.030 176.300 -0.063 0.000 1.027 381 R CA 0.007 56.074 56.100 -0.056 0.000 0.958 381 R CB 0.541 30.818 30.300 -0.038 0.000 1.047 381 R HN 0.072 nan 8.270 nan 0.000 0.468 382 T N 3.996 118.507 114.554 -0.073 0.000 2.834 382 T HA 0.113 4.459 4.350 -0.007 0.000 0.298 382 T C 0.953 175.631 174.700 -0.037 0.000 0.966 382 T CA -0.305 61.754 62.100 -0.068 0.000 1.141 382 T CB 0.956 69.777 68.868 -0.079 0.000 0.905 382 T HN 0.582 nan 8.240 nan 0.000 0.535 383 V N 0.778 120.673 119.914 -0.032 0.000 3.477 383 V HA 0.688 4.803 4.120 -0.007 0.000 0.297 383 V C 0.688 176.763 176.094 -0.031 0.000 1.433 383 V CA 0.278 62.570 62.300 -0.015 0.000 1.052 383 V CB -0.090 31.741 31.823 0.013 0.000 0.895 383 V HN 0.926 nan 8.190 nan 0.000 0.438 384 G N -0.783 107.997 108.800 -0.033 0.000 2.506 384 G HA2 0.784 4.740 3.960 -0.007 0.000 0.292 384 G HA3 0.784 4.740 3.960 -0.007 0.000 0.292 384 G C -1.483 173.407 174.900 -0.016 0.000 1.425 384 G CA -0.073 45.004 45.100 -0.040 0.000 0.788 384 G HN 0.921 nan 8.290 nan 0.000 0.490 385 A N -1.334 121.480 122.820 -0.009 0.000 2.469 385 A HA 1.053 5.368 4.320 -0.007 0.000 0.299 385 A C 0.091 177.518 177.584 -0.261 0.000 1.098 385 A CA 0.005 51.980 52.037 -0.102 0.000 0.737 385 A CB 1.945 20.921 19.000 -0.040 0.000 1.312 385 A HN 2.293 nan 8.150 nan 0.000 0.414 386 G N -1.307 107.048 108.800 -0.742 0.000 2.682 386 G HA2 0.641 4.597 3.960 -0.007 0.000 0.290 386 G HA3 0.641 4.597 3.960 -0.007 0.000 0.290 386 G C -1.880 172.389 174.900 -1.052 0.000 1.425 386 G CA -0.404 44.035 45.100 -1.102 0.000 0.807 386 G HN 1.352 nan 8.290 nan 0.000 0.482 387 V N -0.018 119.624 119.914 -0.453 0.000 2.733 387 V HA 0.390 4.506 4.120 -0.007 0.000 0.306 387 V C -0.065 176.202 176.094 0.287 0.000 1.084 387 V CA -0.797 61.473 62.300 -0.051 0.000 0.905 387 V CB 1.759 33.572 31.823 -0.016 0.000 1.010 387 V HN 0.675 nan 8.190 nan 0.000 0.424 388 V N 4.070 124.197 119.914 0.355 0.000 2.421 388 V HA 0.247 4.363 4.120 -0.007 0.000 0.271 388 V C 1.293 177.518 176.094 0.219 0.000 1.031 388 V CA 1.043 63.542 62.300 0.331 0.000 1.032 388 V CB 0.630 32.524 31.823 0.118 0.000 1.009 388 V HN 1.129 nan 8.190 nan 0.000 0.477 389 A N 5.128 128.094 122.820 0.243 0.000 1.956 389 A HA 0.211 4.527 4.320 -0.007 0.000 0.212 389 A C 1.034 178.687 177.584 0.116 0.000 1.188 389 A CA 0.579 52.709 52.037 0.156 0.000 0.675 389 A CB 0.247 19.338 19.000 0.152 0.000 0.845 389 A HN 0.646 nan 8.150 nan 0.000 0.455 390 K N -0.030 120.450 120.400 0.133 0.000 2.616 390 K HA 0.446 4.761 4.320 -0.007 0.000 0.255 390 K C -1.741 174.901 176.600 0.071 0.000 0.995 390 K CA -0.455 55.876 56.287 0.072 0.000 0.860 390 K CB 1.920 34.451 32.500 0.052 0.000 1.264 390 K HN -0.011 nan 8.250 nan 0.000 0.451 391 V N 6.246 126.149 119.914 -0.018 0.000 2.637 391 V HA 0.075 4.191 4.120 -0.007 0.000 0.296 391 V C 1.181 177.204 176.094 -0.117 0.000 1.046 391 V CA 0.209 62.436 62.300 -0.121 0.000 1.066 391 V CB 1.050 32.619 31.823 -0.423 0.000 0.968 391 V HN 0.785 nan 8.190 nan 0.000 0.483 392 L N 2.565 123.742 121.223 -0.077 0.000 2.515 392 L HA 0.276 4.612 4.340 -0.007 0.000 0.202 392 L C 0.786 177.632 176.870 -0.040 0.000 1.056 392 L CA 0.428 55.237 54.840 -0.051 0.000 0.847 392 L CB 0.346 42.387 42.059 -0.030 0.000 1.131 392 L HN 0.667 nan 8.230 nan 0.000 0.484 393 S N 0.000 115.696 115.700 -0.006 0.000 2.498 393 S HA 0.000 4.466 4.470 -0.007 0.000 0.327 393 S CA 0.000 58.245 58.200 0.074 0.000 1.107 393 S CB 0.000 63.224 63.200 0.039 0.000 0.593 393 S HN 0.000 nan 8.310 nan 0.000 0.517