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_A 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 0.000 176.590 176.600 -0.016 0.000 0.988 9 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 9 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 10 P HA -0.022 nan 4.420 nan 0.000 0.265 10 P C -1.171 176.103 177.300 -0.043 0.000 1.193 10 P CA 0.047 63.128 63.100 -0.031 0.000 0.765 10 P CB 0.272 31.936 31.700 -0.061 0.000 0.823 11 H N 3.015 122.042 119.070 -0.072 0.000 2.489 11 H HA 0.406 4.963 4.556 0.001 0.000 0.322 11 H C -1.143 174.127 175.328 -0.098 0.000 1.091 11 H CA -0.381 55.633 56.048 -0.057 0.000 1.291 11 H CB 0.835 30.609 29.762 0.019 0.000 1.436 11 H HN 0.059 nan 8.280 nan 0.000 0.480 12 V N 5.120 124.694 119.914 -0.567 0.000 2.735 12 V HA 0.195 4.316 4.120 0.001 0.000 0.310 12 V C -0.491 175.429 176.094 -0.290 0.000 1.061 12 V CA -0.985 61.147 62.300 -0.279 0.000 0.913 12 V CB 2.039 33.752 31.823 -0.183 0.000 1.005 12 V HN 0.790 nan 8.190 nan 0.000 0.428 13 N N 2.009 120.685 118.700 -0.039 0.000 2.444 13 N HA 0.650 5.390 4.740 0.001 0.000 0.262 13 N C -0.659 174.868 175.510 0.030 0.000 0.974 13 N CA -0.421 52.635 53.050 0.010 0.000 0.933 13 N CB 2.023 40.568 38.487 0.097 0.000 1.137 13 N HN 0.650 nan 8.380 nan 0.000 0.498 14 V N -0.766 119.138 119.914 -0.017 0.000 3.046 14 V HA 1.033 5.153 4.120 0.001 0.000 0.316 14 V C 0.321 176.283 176.094 -0.220 0.000 1.104 14 V CA -0.846 61.395 62.300 -0.098 0.000 1.006 14 V CB 1.640 33.380 31.823 -0.140 0.000 1.058 14 V HN 0.567 nan 8.190 nan 0.000 0.440 15 G N 0.471 109.095 108.800 -0.293 0.000 2.696 15 G HA2 0.676 4.636 3.960 0.001 0.000 0.295 15 G HA3 0.676 4.636 3.960 0.001 0.000 0.295 15 G C -0.713 173.996 174.900 -0.318 0.000 1.398 15 G CA -0.125 44.792 45.100 -0.304 0.000 0.920 15 G HN 1.221 nan 8.290 nan 0.000 0.492 16 T N -0.902 113.529 114.554 -0.205 0.000 2.829 16 T HA 0.721 5.071 4.350 0.001 0.000 0.282 16 T C -0.331 174.294 174.700 -0.125 0.000 0.990 16 T CA -0.616 61.425 62.100 -0.098 0.000 1.028 16 T CB 1.905 70.821 68.868 0.081 0.000 0.951 16 T HN 0.658 nan 8.240 nan 0.000 0.460 17 I N 1.536 122.008 120.570 -0.163 0.000 2.534 17 I HA 0.698 4.869 4.170 0.001 0.000 0.288 17 I C -0.249 175.679 176.117 -0.315 0.000 1.077 17 I CA -0.062 61.078 61.300 -0.267 0.000 1.051 17 I CB 1.235 39.066 38.000 -0.280 0.000 1.234 17 I HN 1.077 nan 8.210 nan 0.000 0.425 18 G N 5.079 113.588 108.800 -0.486 0.000 2.349 18 G HA2 0.134 4.095 3.960 0.001 0.000 0.294 18 G HA3 0.134 4.095 3.960 0.001 0.000 0.294 18 G C -1.764 173.007 174.900 -0.216 0.000 1.380 18 G CA -0.803 44.097 45.100 -0.333 0.000 0.811 18 G HN 0.758 nan 8.290 nan 0.000 0.519 19 H N 0.366 119.391 119.070 -0.076 0.000 2.897 19 H HA 0.134 4.691 4.556 0.001 0.000 0.347 19 H C 2.154 177.426 175.328 -0.092 0.000 1.068 19 H CA 0.718 56.692 56.048 -0.123 0.000 1.426 19 H CB 1.543 30.983 29.762 -0.536 0.000 1.410 19 H HN 0.608 nan 8.280 nan 0.000 0.597 20 V N 1.982 121.495 119.914 -0.669 0.000 2.317 20 V HA -0.268 3.853 4.120 0.001 0.000 0.251 20 V C 0.799 176.702 176.094 -0.318 0.000 1.065 20 V CA 2.198 64.229 62.300 -0.448 0.000 1.049 20 V CB -0.227 31.356 31.823 -0.400 0.000 0.651 20 V HN 0.701 nan 8.190 nan 0.000 0.450 21 D N -1.316 118.847 120.400 -0.396 0.000 2.427 21 D HA 0.159 4.800 4.640 0.001 0.000 0.224 21 D C 1.230 177.697 176.300 0.277 0.000 1.157 21 D CA 0.221 54.230 54.000 0.014 0.000 0.828 21 D CB -0.347 40.525 40.800 0.120 0.000 0.974 21 D HN 0.698 nan 8.370 nan 0.000 0.498 22 H N -0.238 118.878 119.070 0.076 0.000 2.586 22 H HA 0.239 4.796 4.556 0.001 0.000 0.273 22 H C 0.901 176.257 175.328 0.047 0.000 0.997 22 H CA -0.066 56.039 56.048 0.096 0.000 1.177 22 H CB 0.879 30.726 29.762 0.140 0.000 1.471 22 H HN 0.206 nan 8.280 nan 0.000 0.538 23 G N 1.982 110.853 108.800 0.117 0.000 2.248 23 G HA2 -0.269 3.692 3.960 0.001 0.000 0.252 23 G HA3 -0.269 3.692 3.960 0.001 0.000 0.252 23 G C 0.877 175.791 174.900 0.023 0.000 1.085 23 G CA 0.223 45.351 45.100 0.047 0.000 0.845 23 G HN 0.355 nan 8.290 nan 0.000 0.494 24 K N -0.816 119.595 120.400 0.019 0.000 2.057 24 K HA -0.050 4.270 4.320 0.001 0.000 0.206 24 K C 2.596 179.177 176.600 -0.033 0.000 1.050 24 K CA 1.745 58.033 56.287 0.001 0.000 0.935 24 K CB -0.195 32.304 32.500 -0.002 0.000 0.715 24 K HN 0.354 nan 8.250 nan 0.000 0.439 25 T N 0.905 115.435 114.554 -0.040 0.000 2.737 25 T HA -0.107 4.244 4.350 0.001 0.000 0.265 25 T C 1.946 176.591 174.700 -0.092 0.000 1.038 25 T CA 1.741 63.801 62.100 -0.067 0.000 1.144 25 T CB -0.342 68.496 68.868 -0.051 0.000 0.866 25 T HN 0.266 nan 8.240 nan 0.000 0.434 26 T N 2.742 117.254 114.554 -0.071 0.000 2.665 26 T HA -0.116 4.235 4.350 0.001 0.000 0.268 26 T C 1.898 176.525 174.700 -0.122 0.000 1.035 26 T CA 1.209 63.261 62.100 -0.079 0.000 1.151 26 T CB -0.583 68.255 68.868 -0.051 0.000 0.862 26 T HN 0.146 nan 8.240 nan 0.000 0.438 27 L N 1.193 122.332 121.223 -0.141 0.000 2.012 27 L HA -0.117 4.223 4.340 0.001 0.000 0.210 27 L C 2.451 179.144 176.870 -0.295 0.000 1.073 27 L CA 1.961 56.644 54.840 -0.261 0.000 0.748 27 L CB -1.303 40.565 42.059 -0.318 0.000 0.891 27 L HN 0.208 nan 8.230 nan 0.000 0.431 28 T N -0.052 114.346 114.554 -0.260 0.000 2.746 28 T HA -0.140 4.210 4.350 0.001 0.000 0.267 28 T C 1.936 176.440 174.700 -0.327 0.000 1.039 28 T CA 1.297 63.172 62.100 -0.375 0.000 1.142 28 T CB -0.627 67.965 68.868 -0.459 0.000 0.866 28 T HN 0.543 nan 8.240 nan 0.000 0.444 29 A N 1.604 124.291 122.820 -0.222 0.000 1.908 29 A HA 0.111 4.432 4.320 0.001 0.000 0.218 29 A C 2.673 180.156 177.584 -0.168 0.000 1.181 29 A CA 1.900 53.838 52.037 -0.166 0.000 0.627 29 A CB -1.167 17.764 19.000 -0.115 0.000 0.818 29 A HN 0.517 nan 8.150 nan 0.000 0.445 30 A N -0.124 122.590 122.820 -0.177 0.000 1.902 30 A HA -0.074 4.246 4.320 0.001 0.000 0.217 30 A C 2.133 179.597 177.584 -0.201 0.000 1.181 30 A CA 1.511 53.453 52.037 -0.157 0.000 0.623 30 A CB -0.602 18.310 19.000 -0.147 0.000 0.818 30 A HN 0.511 nan 8.150 nan 0.000 0.443 31 I N 0.240 120.622 120.570 -0.313 0.000 2.142 31 I HA -0.261 3.910 4.170 0.001 0.000 0.240 31 I C 2.966 178.865 176.117 -0.364 0.000 1.078 31 I CA 1.945 63.002 61.300 -0.407 0.000 1.343 31 I CB -0.800 36.781 38.000 -0.699 0.000 1.046 31 I HN 0.567 nan 8.210 nan 0.000 0.405 32 T N -2.100 112.237 114.554 -0.362 0.000 2.708 32 T HA -0.190 4.160 4.350 0.001 0.000 0.266 32 T C 1.880 176.531 174.700 -0.081 0.000 1.037 32 T CA 2.048 64.041 62.100 -0.179 0.000 1.146 32 T CB -0.992 67.804 68.868 -0.120 0.000 0.865 32 T HN 0.219 nan 8.240 nan 0.000 0.435 33 T N 1.744 116.241 114.554 -0.094 0.000 2.622 33 T HA -0.085 4.265 4.350 0.001 0.000 0.266 33 T C 2.136 176.807 174.700 -0.048 0.000 1.047 33 T CA 1.657 63.722 62.100 -0.058 0.000 1.159 33 T CB -0.779 68.052 68.868 -0.062 0.000 0.863 33 T HN 0.249 nan 8.240 nan 0.000 0.422 34 V N 1.597 121.473 119.914 -0.063 0.000 2.343 34 V HA -0.130 3.990 4.120 0.001 0.000 0.247 34 V C 2.523 178.580 176.094 -0.063 0.000 1.051 34 V CA 1.505 63.769 62.300 -0.060 0.000 1.036 34 V CB -0.709 31.082 31.823 -0.053 0.000 0.654 34 V HN 0.448 nan 8.190 nan 0.000 0.451 35 L N -0.112 121.109 121.223 -0.003 0.000 2.083 35 L HA -0.167 4.174 4.340 0.001 0.000 0.209 35 L C 2.696 179.639 176.870 0.122 0.000 1.083 35 L CA 1.616 56.536 54.840 0.133 0.000 0.752 35 L CB -0.838 41.378 42.059 0.262 0.000 0.899 35 L HN 0.386 nan 8.230 nan 0.000 0.433 36 A N 0.086 122.949 122.820 0.071 0.000 1.872 36 A HA -0.211 4.109 4.320 0.001 0.000 0.214 36 A C 2.411 180.002 177.584 0.010 0.000 1.187 36 A CA 1.580 53.656 52.037 0.066 0.000 0.614 36 A CB -0.392 18.638 19.000 0.049 0.000 0.826 36 A HN 0.286 nan 8.150 nan 0.000 0.442 37 K N -0.840 119.543 120.400 -0.028 0.000 2.147 37 K HA -0.133 4.188 4.320 0.001 0.000 0.205 37 K C 1.791 178.331 176.600 -0.100 0.000 1.049 37 K CA 1.855 58.112 56.287 -0.050 0.000 0.936 37 K CB -0.160 32.309 32.500 -0.052 0.000 0.722 37 K HN 0.488 nan 8.250 nan 0.000 0.446 38 T N -0.546 113.893 114.554 -0.191 0.000 2.837 38 T HA -0.030 4.321 4.350 0.001 0.000 0.248 38 T C 0.985 175.453 174.700 -0.387 0.000 1.033 38 T CA 0.965 62.833 62.100 -0.388 0.000 1.150 38 T CB -0.204 68.240 68.868 -0.706 0.000 0.865 38 T HN 0.218 nan 8.240 nan 0.000 0.425 39 Y N 0.727 121.046 120.300 0.031 0.000 2.457 39 Y HA 0.453 5.004 4.550 0.001 0.000 0.263 39 Y C 1.891 177.813 175.900 0.038 0.000 1.164 39 Y CA -0.387 57.736 58.100 0.038 0.000 1.274 39 Y CB -0.323 38.169 38.460 0.054 0.000 1.097 39 Y HN 0.386 nan 8.280 nan 0.000 0.523 40 G N -0.329 108.539 108.800 0.113 0.000 2.179 40 G HA2 -0.215 3.746 3.960 0.001 0.000 0.260 40 G HA3 -0.215 3.746 3.960 0.001 0.000 0.260 40 G C 1.046 176.011 174.900 0.108 0.000 0.977 40 G CA 0.345 45.498 45.100 0.088 0.000 0.641 40 G HN 0.810 nan 8.290 nan 0.000 0.533 41 G N -1.827 107.071 108.800 0.162 0.000 4.187 41 G HA2 0.707 4.668 3.960 0.001 0.000 0.174 41 G HA3 0.707 4.668 3.960 0.001 0.000 0.174 41 G C 0.197 175.234 174.900 0.228 0.000 0.947 41 G CA 1.863 47.061 45.100 0.163 0.000 0.940 41 G HN 2.217 nan 8.290 nan 0.000 0.410 65 S N 4.410 120.197 115.700 0.144 0.000 2.711 65 S HA 0.172 4.642 4.470 0.001 0.000 0.335 65 S C 0.168 174.884 174.600 0.192 0.000 1.175 65 S CA -0.242 58.047 58.200 0.149 0.000 1.372 65 S CB -0.621 62.624 63.200 0.074 0.000 1.337 65 S HN 0.602 nan 8.310 nan 0.000 0.572 66 H N 0.545 119.656 119.070 0.068 0.000 2.713 66 H HA 0.783 5.339 4.556 0.001 0.000 0.340 66 H C -0.605 174.772 175.328 0.082 0.000 1.271 66 H CA -1.349 54.756 56.048 0.095 0.000 1.306 66 H CB 0.388 30.221 29.762 0.117 0.000 1.839 66 H HN 0.235 nan 8.280 nan 0.000 0.627 67 V N 0.027 119.947 119.914 0.011 0.000 3.046 67 V HA 0.367 4.487 4.120 0.001 0.000 0.316 67 V C -0.258 175.880 176.094 0.074 0.000 1.104 67 V CA -0.869 61.406 62.300 -0.043 0.000 1.006 67 V CB 1.999 33.814 31.823 -0.013 0.000 1.058 67 V HN 0.818 nan 8.190 nan 0.000 0.440 68 E N 1.176 121.423 120.200 0.078 0.000 2.293 68 E HA 0.669 5.019 4.350 0.001 0.000 0.270 68 E C -2.047 174.645 176.600 0.154 0.000 0.879 68 E CA -0.576 55.845 56.400 0.034 0.000 0.756 68 E CB 2.717 32.467 29.700 0.084 0.000 1.208 68 E HN 0.698 nan 8.360 nan 0.000 0.428 69 Y N -1.150 119.129 120.300 -0.035 0.000 2.609 69 Y HA 0.652 5.202 4.550 0.001 0.000 0.336 69 Y C -1.387 174.570 175.900 0.094 0.000 1.129 69 Y CA -1.361 56.768 58.100 0.049 0.000 1.040 69 Y CB 1.294 39.786 38.460 0.052 0.000 1.310 69 Y HN 0.251 nan 8.280 nan 0.000 0.460 70 D N 0.437 121.021 120.400 0.307 0.000 2.575 70 D HA 0.630 5.270 4.640 0.001 0.000 0.236 70 D C -0.800 175.612 176.300 0.187 0.000 1.075 70 D CA -0.632 53.497 54.000 0.216 0.000 0.860 70 D CB 2.328 43.237 40.800 0.182 0.000 1.475 70 D HN 0.809 nan 8.370 nan 0.000 0.474 71 T N -2.374 112.215 114.554 0.058 0.000 2.927 71 T HA 0.473 4.823 4.350 0.001 0.000 0.286 71 T C -1.960 172.523 174.700 -0.361 0.000 1.040 71 T CA -1.804 60.141 62.100 -0.259 0.000 1.010 71 T CB 1.723 70.553 68.868 -0.064 0.000 1.177 71 T HN 0.063 nan 8.240 nan 0.000 0.546 72 P HA -0.115 nan 4.420 nan 0.000 0.223 72 P C 1.209 178.418 177.300 -0.151 0.000 1.144 72 P CA 1.294 64.210 63.100 -0.306 0.000 0.783 72 P CB -0.266 31.268 31.700 -0.277 0.000 0.771 73 T N -4.502 109.969 114.554 -0.139 0.000 3.018 73 T HA 0.250 4.601 4.350 0.001 0.000 0.246 73 T C 1.077 175.716 174.700 -0.101 0.000 1.026 73 T CA -0.140 61.908 62.100 -0.087 0.000 1.081 73 T CB 0.304 69.136 68.868 -0.059 0.000 0.970 73 T HN 0.101 nan 8.240 nan 0.000 0.475 74 R N -0.301 120.113 120.500 -0.144 0.000 2.817 74 R HA 0.620 4.961 4.340 0.001 0.000 0.268 74 R C -1.802 174.312 176.300 -0.311 0.000 1.027 74 R CA -0.908 55.026 56.100 -0.277 0.000 0.928 74 R CB 1.143 31.127 30.300 -0.527 0.000 1.228 74 R HN 0.280 nan 8.270 nan 0.000 0.469 75 H N 0.383 119.169 119.070 -0.473 0.000 2.466 75 H HA 0.443 5.000 4.556 0.001 0.000 0.338 75 H C -1.509 173.413 175.328 -0.677 0.000 1.091 75 H CA -0.423 55.402 56.048 -0.371 0.000 1.207 75 H CB 0.699 30.368 29.762 -0.154 0.000 1.466 75 H HN 0.386 nan 8.280 nan 0.000 0.493 76 Y N 2.318 122.060 120.300 -0.930 0.000 2.468 76 Y HA 0.622 5.172 4.550 0.001 0.000 0.342 76 Y C -0.286 175.079 175.900 -0.892 0.000 1.021 76 Y CA -0.892 56.657 58.100 -0.917 0.000 1.079 76 Y CB 2.107 39.926 38.460 -1.068 0.000 1.226 76 Y HN 0.806 nan 8.280 nan 0.000 0.460 77 A N 2.108 124.699 122.820 -0.380 0.000 2.293 77 A HA 0.418 4.739 4.320 0.001 0.000 0.312 77 A C -1.609 176.028 177.584 0.088 0.000 1.309 77 A CA -0.508 51.524 52.037 -0.009 0.000 0.839 77 A CB -0.160 18.900 19.000 0.099 0.000 1.155 77 A HN 0.945 nan 8.150 nan 0.000 0.501 78 H N 2.307 121.435 119.070 0.096 0.000 2.581 78 H HA 0.568 5.125 4.556 0.001 0.000 0.308 78 H C -0.175 175.268 175.328 0.192 0.000 1.040 78 H CA -0.641 55.495 56.048 0.146 0.000 1.231 78 H CB 1.063 31.007 29.762 0.303 0.000 1.396 78 H HN 0.640 nan 8.280 nan 0.000 0.467 79 V N 1.720 121.823 119.914 0.314 0.000 3.093 79 V HA 0.487 4.608 4.120 0.001 0.000 0.320 79 V C -0.289 175.946 176.094 0.236 0.000 1.093 79 V CA -0.928 61.539 62.300 0.278 0.000 1.016 79 V CB 2.023 33.953 31.823 0.179 0.000 1.096 79 V HN 0.756 nan 8.190 nan 0.000 0.452 80 D N -0.075 120.432 120.400 0.177 0.000 2.269 80 D HA 0.638 5.279 4.640 0.001 0.000 0.244 80 D C -1.021 175.319 176.300 0.066 0.000 0.992 80 D CA -0.322 53.741 54.000 0.105 0.000 0.894 80 D CB 1.794 42.646 40.800 0.087 0.000 1.248 80 D HN 0.877 nan 8.370 nan 0.000 0.468 81 C N 4.594 123.887 119.300 -0.011 0.000 2.955 81 C HA 0.339 4.800 4.460 0.001 0.000 0.262 81 C C -1.171 173.798 174.990 -0.035 0.000 1.279 81 C CA -0.949 58.057 59.018 -0.020 0.000 1.615 81 C CB 0.298 27.909 27.740 -0.216 0.000 1.755 81 C HN 0.554 nan 8.230 nan 0.000 0.452 82 P HA 0.061 nan 4.420 nan 0.000 0.223 82 P C 0.660 177.978 177.300 0.030 0.000 1.151 82 P CA 1.243 64.341 63.100 -0.004 0.000 0.787 82 P CB 0.661 32.365 31.700 0.006 0.000 0.788 83 G N -1.523 107.314 108.800 0.062 0.000 2.612 83 G HA2 0.249 4.209 3.960 0.001 0.000 0.298 83 G HA3 0.249 4.209 3.960 0.001 0.000 0.298 83 G C 0.035 175.023 174.900 0.147 0.000 1.336 83 G CA -0.249 44.912 45.100 0.100 0.000 0.953 83 G HN -0.044 nan 8.290 nan 0.000 0.482 84 H N 1.646 120.762 119.070 0.077 0.000 2.307 84 H HA -0.023 4.534 4.556 0.001 0.000 0.303 84 H C 2.547 177.935 175.328 0.099 0.000 1.073 84 H CA 1.950 58.054 56.048 0.093 0.000 1.338 84 H CB 0.058 29.861 29.762 0.069 0.000 1.389 84 H HN 0.486 nan 8.280 nan 0.000 0.503 85 A N 0.745 123.730 122.820 0.275 0.000 1.930 85 A HA -0.149 4.171 4.320 0.001 0.000 0.217 85 A C 2.117 179.729 177.584 0.047 0.000 1.175 85 A CA 1.698 53.837 52.037 0.171 0.000 0.627 85 A CB -0.386 18.696 19.000 0.138 0.000 0.815 85 A HN 0.449 nan 8.150 nan 0.000 0.443 86 D N -1.689 118.737 120.400 0.045 0.000 2.097 86 D HA -0.156 4.484 4.640 0.001 0.000 0.195 86 D C 1.690 177.961 176.300 -0.050 0.000 0.989 86 D CA 1.561 55.552 54.000 -0.015 0.000 0.827 86 D CB -0.398 40.413 40.800 0.018 0.000 0.966 86 D HN 0.553 nan 8.370 nan 0.000 0.456 87 Y N 1.222 121.476 120.300 -0.077 0.000 2.128 87 Y HA -0.241 4.310 4.550 0.001 0.000 0.284 87 Y C 2.195 178.025 175.900 -0.116 0.000 1.154 87 Y CA 1.178 59.219 58.100 -0.098 0.000 1.149 87 Y CB -0.465 37.927 38.460 -0.113 0.000 0.976 87 Y HN -0.168 nan 8.280 nan 0.000 0.505 88 V N 1.093 120.934 119.914 -0.122 0.000 2.332 88 V HA -0.370 3.751 4.120 0.001 0.000 0.248 88 V C 2.424 178.388 176.094 -0.216 0.000 1.055 88 V CA 2.414 64.627 62.300 -0.145 0.000 1.038 88 V CB -0.875 30.927 31.823 -0.034 0.000 0.651 88 V HN 0.408 nan 8.190 nan 0.000 0.450 89 K N 0.457 120.718 120.400 -0.231 0.000 2.009 89 K HA -0.244 4.077 4.320 0.001 0.000 0.210 89 K C 2.028 178.394 176.600 -0.390 0.000 1.049 89 K CA 2.106 58.164 56.287 -0.383 0.000 0.929 89 K CB -0.277 31.908 32.500 -0.526 0.000 0.714 89 K HN 0.440 nan 8.250 nan 0.000 0.440 90 N N 0.909 119.385 118.700 -0.373 0.000 2.166 90 N HA -0.195 4.546 4.740 0.001 0.000 0.186 90 N C 1.691 176.977 175.510 -0.372 0.000 1.019 90 N CA 1.435 54.278 53.050 -0.345 0.000 0.856 90 N CB -0.315 37.983 38.487 -0.314 0.000 0.993 90 N HN 0.379 nan 8.380 nan 0.000 0.426 91 M N 0.860 120.149 119.600 -0.518 0.000 2.059 91 M HA -0.089 4.392 4.480 0.001 0.000 0.259 91 M C 1.854 178.019 176.300 -0.224 0.000 1.072 91 M CA 1.378 56.433 55.300 -0.408 0.000 1.117 91 M CB -0.470 31.861 32.600 -0.449 0.000 1.320 91 M HN 0.003 nan 8.290 nan 0.000 0.408 92 I N 0.798 121.252 120.570 -0.194 0.000 2.208 92 I HA -0.291 3.880 4.170 0.001 0.000 0.245 92 I C 2.000 178.044 176.117 -0.122 0.000 1.097 92 I CA 1.998 63.222 61.300 -0.126 0.000 1.363 92 I CB -0.761 37.199 38.000 -0.067 0.000 1.051 92 I HN 0.471 nan 8.210 nan 0.000 0.413 93 T N -1.720 112.748 114.554 -0.143 0.000 3.252 93 T HA 0.288 4.638 4.350 0.001 0.000 0.250 93 T C 1.521 176.159 174.700 -0.104 0.000 1.123 93 T CA 0.363 62.399 62.100 -0.106 0.000 1.006 93 T CB 0.033 68.827 68.868 -0.123 0.000 0.992 93 T HN 0.609 nan 8.240 nan 0.000 0.547 94 G N 1.029 109.759 108.800 -0.117 0.000 2.245 94 G HA2 -0.314 3.647 3.960 0.001 0.000 0.264 94 G HA3 -0.314 3.647 3.960 0.001 0.000 0.264 94 G C 1.247 176.083 174.900 -0.106 0.000 0.985 94 G CA 0.133 45.175 45.100 -0.097 0.000 0.625 94 G HN 1.183 nan 8.290 nan 0.000 0.536 95 A N -0.460 122.283 122.820 -0.129 0.000 2.186 95 A HA 0.538 4.859 4.320 0.001 0.000 0.219 95 A C 1.381 178.888 177.584 -0.128 0.000 1.159 95 A CA 2.356 54.320 52.037 -0.122 0.000 0.680 95 A CB -0.351 18.571 19.000 -0.130 0.000 0.787 95 A HN 2.526 nan 8.150 nan 0.000 0.467 96 A N -1.536 121.190 122.820 -0.157 0.000 2.472 96 A HA 0.541 4.862 4.320 0.001 0.000 0.312 96 A C -1.115 176.396 177.584 -0.122 0.000 1.023 96 A CA -0.310 51.658 52.037 -0.115 0.000 0.938 96 A CB 0.367 19.324 19.000 -0.073 0.000 1.176 96 A HN 0.372 nan 8.150 nan 0.000 0.366 97 Q N 2.643 122.451 119.800 0.014 0.000 2.483 97 Q HA 0.610 4.950 4.340 0.001 0.000 0.245 97 Q C -0.861 175.221 176.000 0.136 0.000 0.902 97 Q CA -0.156 55.702 55.803 0.091 0.000 0.767 97 Q CB 0.832 29.590 28.738 0.032 0.000 1.341 97 Q HN 0.772 nan 8.270 nan 0.000 0.453 98 M N 2.857 122.578 119.600 0.202 0.000 2.249 98 M HA 0.094 4.575 4.480 0.001 0.000 0.340 98 M C 0.157 176.524 176.300 0.111 0.000 1.166 98 M CA 0.461 55.836 55.300 0.126 0.000 1.115 98 M CB 0.598 33.240 32.600 0.071 0.000 1.606 98 M HN 0.510 nan 8.290 nan 0.000 0.448 99 D N 1.113 121.578 120.400 0.108 0.000 2.338 99 D HA 0.209 4.850 4.640 0.001 0.000 0.208 99 D C 0.653 177.064 176.300 0.185 0.000 0.997 99 D CA 0.614 54.697 54.000 0.138 0.000 0.880 99 D CB 0.651 41.528 40.800 0.128 0.000 0.980 99 D HN 0.791 nan 8.370 nan 0.000 0.509 100 G N -0.365 108.518 108.800 0.138 0.000 2.732 100 G HA2 0.582 4.543 3.960 0.001 0.000 0.296 100 G HA3 0.582 4.543 3.960 0.001 0.000 0.296 100 G C -1.713 173.213 174.900 0.044 0.000 1.448 100 G CA -0.298 44.896 45.100 0.156 0.000 0.911 100 G HN 0.136 nan 8.290 nan 0.000 0.528 101 A N 0.972 123.800 122.820 0.013 0.000 2.365 101 A HA 0.842 5.163 4.320 0.001 0.000 0.318 101 A C -0.588 176.954 177.584 -0.071 0.000 1.091 101 A CA -0.666 51.322 52.037 -0.082 0.000 0.763 101 A CB 1.092 20.006 19.000 -0.142 0.000 1.248 101 A HN 0.703 nan 8.150 nan 0.000 0.442 102 I N 2.632 123.143 120.570 -0.098 0.000 2.328 102 I HA 0.219 4.390 4.170 0.001 0.000 0.287 102 I C -0.624 175.459 176.117 -0.056 0.000 1.012 102 I CA -0.594 60.673 61.300 -0.054 0.000 1.195 102 I CB 1.359 39.332 38.000 -0.044 0.000 1.350 102 I HN 0.565 nan 8.210 nan 0.000 0.464 103 L N 8.835 130.031 121.223 -0.046 0.000 2.319 103 L HA 0.376 4.717 4.340 0.001 0.000 0.280 103 L C -0.424 176.472 176.870 0.044 0.000 1.099 103 L CA 0.079 54.900 54.840 -0.032 0.000 0.828 103 L CB 1.124 43.154 42.059 -0.048 0.000 1.150 103 L HN 0.300 nan 8.230 nan 0.000 0.442 104 V N 6.404 126.358 119.914 0.067 0.000 2.347 104 V HA 0.505 4.626 4.120 0.001 0.000 0.280 104 V C -0.341 175.868 176.094 0.192 0.000 1.021 104 V CA -0.564 61.823 62.300 0.146 0.000 0.847 104 V CB 1.465 33.368 31.823 0.134 0.000 0.990 104 V HN 0.545 nan 8.190 nan 0.000 0.444 105 V N 3.811 123.818 119.914 0.154 0.000 2.588 105 V HA 0.719 4.840 4.120 0.001 0.000 0.304 105 V C 0.359 176.397 176.094 -0.092 0.000 1.042 105 V CA -0.802 61.596 62.300 0.165 0.000 0.877 105 V CB 1.985 33.877 31.823 0.114 0.000 0.996 105 V HN 0.925 nan 8.190 nan 0.000 0.425 106 A N 3.212 125.723 122.820 -0.514 0.000 2.354 106 A HA 0.665 4.986 4.320 0.001 0.000 0.281 106 A C 1.449 178.853 177.584 -0.300 0.000 1.174 106 A CA 0.301 52.035 52.037 -0.505 0.000 0.828 106 A CB 0.775 19.303 19.000 -0.787 0.000 1.099 106 A HN 1.458 nan 8.150 nan 0.000 0.516 107 A N 2.635 125.333 122.820 -0.202 0.000 2.032 107 A HA -0.151 4.170 4.320 0.001 0.000 0.221 107 A C 2.237 179.755 177.584 -0.111 0.000 1.165 107 A CA 2.617 54.572 52.037 -0.136 0.000 0.645 107 A CB -1.248 17.675 19.000 -0.128 0.000 0.807 107 A HN 1.223 nan 8.150 nan 0.000 0.453 108 T N -2.123 112.352 114.554 -0.132 0.000 2.720 108 T HA -0.167 4.184 4.350 0.001 0.000 0.268 108 T C 1.382 176.047 174.700 -0.059 0.000 1.037 108 T CA 1.610 63.657 62.100 -0.089 0.000 1.144 108 T CB -0.314 68.500 68.868 -0.090 0.000 0.864 108 T HN 0.442 nan 8.240 nan 0.000 0.444 109 D N 1.013 121.375 120.400 -0.063 0.000 2.414 109 D HA 0.369 5.010 4.640 0.001 0.000 0.237 109 D C 1.445 177.748 176.300 0.005 0.000 0.975 109 D CA 1.391 55.391 54.000 0.000 0.000 0.917 109 D CB -0.056 40.800 40.800 0.093 0.000 1.061 109 D HN 0.674 nan 8.370 nan 0.000 0.480 110 G N 0.634 109.436 108.800 0.004 0.000 2.526 110 G HA2 -0.146 3.814 3.960 0.001 0.000 0.250 110 G HA3 -0.146 3.814 3.960 0.001 0.000 0.250 110 G C -2.703 172.241 174.900 0.075 0.000 1.289 110 G CA -1.010 44.100 45.100 0.016 0.000 0.947 110 G HN -0.017 nan 8.290 nan 0.000 0.517 111 P HA 0.338 nan 4.420 nan 0.000 0.267 111 P C 0.293 177.610 177.300 0.029 0.000 1.200 111 P CA 0.183 63.322 63.100 0.064 0.000 0.772 111 P CB 0.354 32.079 31.700 0.042 0.000 0.855 112 M N 4.137 123.732 119.600 -0.008 0.000 2.613 112 M HA 0.290 4.770 4.480 0.001 0.000 0.301 112 M C -1.577 174.672 176.300 -0.084 0.000 1.205 112 M CA -2.662 52.584 55.300 -0.091 0.000 0.950 112 M CB 0.097 32.571 32.600 -0.209 0.000 1.585 112 M HN 0.120 nan 8.290 nan 0.000 0.490 113 P HA -0.160 nan 4.420 nan 0.000 0.216 113 P C 1.179 178.413 177.300 -0.109 0.000 1.150 113 P CA 1.248 64.305 63.100 -0.071 0.000 0.837 113 P CB 0.044 31.709 31.700 -0.060 0.000 0.786 114 Q N -1.285 118.412 119.800 -0.171 0.000 2.482 114 Q HA 0.000 4.341 4.340 0.001 0.000 0.209 114 Q C 1.133 176.786 176.000 -0.578 0.000 0.961 114 Q CA 1.178 56.801 55.803 -0.301 0.000 0.945 114 Q CB -1.464 27.118 28.738 -0.261 0.000 1.012 114 Q HN 0.145 nan 8.270 nan 0.000 0.515 115 T N 2.299 116.645 114.554 -0.346 0.000 2.881 115 T HA -0.129 4.222 4.350 0.001 0.000 0.270 115 T C 1.759 176.364 174.700 -0.159 0.000 1.068 115 T CA 1.612 63.581 62.100 -0.217 0.000 1.131 115 T CB -0.132 68.736 68.868 0.000 0.000 0.871 115 T HN 0.608 nan 8.240 nan 0.000 0.479 116 R N 1.164 121.588 120.500 -0.127 0.000 2.148 116 R HA 0.049 4.390 4.340 0.001 0.000 0.223 116 R C 1.782 177.931 176.300 -0.252 0.000 1.088 116 R CA 1.120 57.157 56.100 -0.104 0.000 0.985 116 R CB -0.274 30.084 30.300 0.096 0.000 0.880 116 R HN 0.228 nan 8.270 nan 0.000 0.451 117 E N 0.876 120.940 120.200 -0.226 0.000 2.152 117 E HA -0.086 4.265 4.350 0.001 0.000 0.192 117 E C 1.640 178.205 176.600 -0.058 0.000 0.983 117 E CA 1.292 57.595 56.400 -0.162 0.000 0.818 117 E CB -0.184 29.424 29.700 -0.153 0.000 0.758 117 E HN 0.633 nan 8.360 nan 0.000 0.467 118 H N -0.566 118.465 119.070 -0.064 0.000 2.307 118 H HA 0.014 4.571 4.556 0.001 0.000 0.303 118 H C 2.004 177.261 175.328 -0.118 0.000 1.073 118 H CA 1.071 57.078 56.048 -0.068 0.000 1.338 118 H CB 0.021 29.746 29.762 -0.061 0.000 1.389 118 H HN 0.077 nan 8.280 nan 0.000 0.503 119 I N 0.493 121.038 120.570 -0.043 0.000 2.226 119 I HA -0.245 3.925 4.170 0.001 0.000 0.245 119 I C 2.313 178.360 176.117 -0.116 0.000 1.100 119 I CA 0.699 61.928 61.300 -0.119 0.000 1.374 119 I CB -0.094 37.841 38.000 -0.109 0.000 1.057 119 I HN 0.192 nan 8.210 nan 0.000 0.413 120 L N 0.523 121.537 121.223 -0.349 0.000 2.127 120 L HA -0.199 4.142 4.340 0.001 0.000 0.211 120 L C 2.142 179.021 176.870 0.016 0.000 1.089 120 L CA 1.693 56.367 54.840 -0.277 0.000 0.757 120 L CB -0.518 41.345 42.059 -0.326 0.000 0.899 120 L HN 0.219 nan 8.230 nan 0.000 0.434 121 L N -0.694 120.564 121.223 0.058 0.000 2.095 121 L HA 0.163 4.503 4.340 0.001 0.000 0.204 121 L C 2.331 179.211 176.870 0.016 0.000 1.080 121 L CA 1.859 56.727 54.840 0.046 0.000 0.759 121 L CB -1.412 40.630 42.059 -0.028 0.000 0.914 121 L HN 0.207 nan 8.230 nan 0.000 0.439 122 G N -0.471 108.343 108.800 0.024 0.000 2.440 122 G HA2 -0.378 3.582 3.960 0.001 0.000 0.218 122 G HA3 -0.378 3.582 3.960 0.001 0.000 0.218 122 G C 1.754 176.835 174.900 0.301 0.000 1.154 122 G CA 1.008 46.161 45.100 0.089 0.000 0.767 122 G HN 0.406 nan 8.290 nan 0.000 0.552 123 R N 0.367 121.071 120.500 0.341 0.000 2.061 123 R HA -0.039 4.302 4.340 0.001 0.000 0.230 123 R C 2.620 178.977 176.300 0.094 0.000 1.140 123 R CA 2.100 58.303 56.100 0.172 0.000 0.940 123 R CB -0.912 29.459 30.300 0.120 0.000 0.839 123 R HN 0.459 nan 8.270 nan 0.000 0.429 124 Q N 0.071 119.933 119.800 0.103 0.000 2.173 124 Q HA -0.129 4.211 4.340 0.001 0.000 0.208 124 Q C 1.230 177.282 176.000 0.087 0.000 0.989 124 Q CA 2.096 57.958 55.803 0.097 0.000 0.872 124 Q CB -0.008 28.809 28.738 0.132 0.000 0.909 124 Q HN 0.392 nan 8.270 nan 0.000 0.420 125 V N -2.915 117.055 119.914 0.093 0.000 3.249 125 V HA 0.438 4.559 4.120 0.001 0.000 0.338 125 V C 0.730 176.888 176.094 0.106 0.000 1.363 125 V CA 0.351 62.720 62.300 0.115 0.000 1.205 125 V CB -0.389 31.557 31.823 0.206 0.000 1.164 125 V HN 0.365 nan 8.190 nan 0.000 0.458 126 G N 0.917 109.765 108.800 0.080 0.000 2.356 126 G HA2 -0.212 3.749 3.960 0.001 0.000 0.296 126 G HA3 -0.212 3.749 3.960 0.001 0.000 0.296 126 G C 0.062 175.004 174.900 0.071 0.000 1.022 126 G CA 0.419 45.551 45.100 0.053 0.000 0.961 126 G HN 0.978 nan 8.290 nan 0.000 0.510 127 V N 0.374 120.364 119.914 0.125 0.000 2.446 127 V HA 0.104 4.224 4.120 0.001 0.000 0.276 127 V C 0.045 176.207 176.094 0.114 0.000 1.030 127 V CA -0.410 61.960 62.300 0.117 0.000 1.033 127 V CB 1.099 32.978 31.823 0.092 0.000 0.993 127 V HN 0.237 nan 8.190 nan 0.000 0.477 128 P HA -0.075 nan 4.420 nan 0.000 0.215 128 P C -0.513 176.338 177.300 -0.748 0.000 1.153 128 P CA 1.429 64.304 63.100 -0.375 0.000 0.853 128 P CB 0.106 31.638 31.700 -0.281 0.000 0.788 129 Y N -2.176 118.221 120.300 0.162 0.000 2.492 129 Y HA 0.496 5.047 4.550 0.001 0.000 0.346 129 Y C -0.063 175.926 175.900 0.148 0.000 0.997 129 Y CA -1.011 57.208 58.100 0.198 0.000 1.025 129 Y CB 1.611 40.119 38.460 0.080 0.000 1.263 129 Y HN -0.307 nan 8.280 nan 0.000 0.454 130 I N 4.711 125.417 120.570 0.227 0.000 2.418 130 I HA 0.449 4.619 4.170 0.001 0.000 0.287 130 I C -0.838 175.287 176.117 0.014 0.000 1.008 130 I CA -0.585 60.697 61.300 -0.030 0.000 1.104 130 I CB 1.478 39.223 38.000 -0.425 0.000 1.264 130 I HN 0.493 nan 8.210 nan 0.000 0.438 131 I N 6.458 127.025 120.570 -0.006 0.000 2.412 131 I HA 0.423 4.594 4.170 0.001 0.000 0.296 131 I C -0.345 175.728 176.117 -0.074 0.000 0.987 131 I CA -0.916 60.325 61.300 -0.099 0.000 1.180 131 I CB 2.145 40.129 38.000 -0.026 0.000 1.340 131 I HN 0.168 nan 8.210 nan 0.000 0.455 132 V N 5.830 125.680 119.914 -0.106 0.000 2.547 132 V HA 0.354 4.475 4.120 0.001 0.000 0.299 132 V C -0.801 175.325 176.094 0.053 0.000 1.040 132 V CA -0.649 61.631 62.300 -0.032 0.000 0.913 132 V CB 1.778 33.559 31.823 -0.070 0.000 0.992 132 V HN 0.481 nan 8.190 nan 0.000 0.449 133 F N 5.059 124.983 119.950 -0.044 0.000 2.513 133 F HA 0.559 5.087 4.527 0.001 0.000 0.358 133 F C -0.396 175.391 175.800 -0.021 0.000 1.118 133 F CA -0.616 57.374 58.000 -0.017 0.000 1.037 133 F CB 0.952 39.951 39.000 -0.002 0.000 1.276 133 F HN 0.320 nan 8.300 nan 0.000 0.446 134 L N 5.673 126.655 121.223 -0.402 0.000 2.385 134 L HA 0.177 4.518 4.340 0.001 0.000 0.281 134 L C 0.207 176.787 176.870 -0.483 0.000 1.106 134 L CA -0.111 54.539 54.840 -0.315 0.000 0.856 134 L CB 0.009 41.925 42.059 -0.238 0.000 1.186 134 L HN 0.592 nan 8.230 nan 0.000 0.453 135 N N 2.865 121.434 118.700 -0.218 0.000 2.463 135 N HA 0.167 4.908 4.740 0.001 0.000 0.270 135 N C 0.149 175.531 175.510 -0.213 0.000 1.205 135 N CA -0.333 52.641 53.050 -0.126 0.000 0.974 135 N CB 0.735 39.260 38.487 0.063 0.000 1.197 135 N HN 0.365 nan 8.380 nan 0.000 0.504 136 K N -0.369 119.894 120.400 -0.227 0.000 3.020 136 K HA -0.238 4.083 4.320 0.001 0.000 0.266 136 K C 0.716 177.149 176.600 -0.280 0.000 1.067 136 K CA 0.413 56.543 56.287 -0.261 0.000 0.780 136 K CB -2.142 30.245 32.500 -0.189 0.000 1.220 136 K HN 0.467 nan 8.250 nan 0.000 0.483 137 C N 1.623 120.722 119.300 -0.335 0.000 2.410 137 C HA -0.138 4.323 4.460 0.001 0.000 0.281 137 C C 2.401 177.296 174.990 -0.157 0.000 1.318 137 C CA 1.237 60.132 59.018 -0.205 0.000 1.776 137 C CB -0.761 26.918 27.740 -0.101 0.000 1.942 137 C HN 0.682 nan 8.230 nan 0.000 0.508 138 D N 0.215 120.378 120.400 -0.396 0.000 2.309 138 D HA -0.165 4.475 4.640 0.001 0.000 0.212 138 D C 1.598 177.857 176.300 -0.069 0.000 0.968 138 D CA 1.054 54.949 54.000 -0.176 0.000 0.882 138 D CB -0.392 40.145 40.800 -0.438 0.000 0.918 138 D HN 0.474 nan 8.370 nan 0.000 0.503 139 M N 0.408 119.941 119.600 -0.113 0.000 2.428 139 M HA 0.112 4.592 4.480 0.001 0.000 0.239 139 M C 0.057 176.332 176.300 -0.041 0.000 1.121 139 M CA -0.015 55.244 55.300 -0.068 0.000 1.019 139 M CB 1.389 33.938 32.600 -0.085 0.000 1.485 139 M HN -0.227 nan 8.290 nan 0.000 0.484 140 V N 1.990 121.883 119.914 -0.035 0.000 2.465 140 V HA 0.044 4.164 4.120 0.001 0.000 0.279 140 V C 0.286 176.382 176.094 0.004 0.000 1.045 140 V CA -0.414 61.874 62.300 -0.020 0.000 0.938 140 V CB 1.163 32.970 31.823 -0.028 0.000 0.986 140 V HN 0.369 nan 8.190 nan 0.000 0.467 141 D N 2.787 123.188 120.400 0.002 0.000 2.110 141 D HA -0.060 4.581 4.640 0.001 0.000 0.202 141 D C 0.650 176.957 176.300 0.011 0.000 0.975 141 D CA 0.428 54.434 54.000 0.010 0.000 0.839 141 D CB -0.119 40.684 40.800 0.005 0.000 0.996 141 D HN 0.514 nan 8.370 nan 0.000 0.464 142 D N -0.000 120.402 120.400 0.005 0.000 2.249 142 D HA 0.050 4.691 4.640 0.001 0.000 0.246 142 D C 0.789 177.091 176.300 0.003 0.000 1.114 142 D CA -0.256 53.746 54.000 0.004 0.000 0.854 142 D CB 1.341 42.141 40.800 0.000 0.000 1.132 142 D HN 0.119 nan 8.370 nan 0.000 0.461 143 E N 2.810 123.013 120.200 0.006 0.000 2.204 143 E HA -0.210 4.141 4.350 0.001 0.000 0.195 143 E C 1.081 177.681 176.600 -0.001 0.000 0.990 143 E CA 0.727 57.129 56.400 0.005 0.000 0.821 143 E CB 0.269 29.972 29.700 0.005 0.000 0.750 143 E HN 0.654 nan 8.360 nan 0.000 0.477 144 E N 0.092 120.291 120.200 -0.001 0.000 2.265 144 E HA -0.151 4.200 4.350 0.001 0.000 0.196 144 E C 2.082 178.679 176.600 -0.005 0.000 0.996 144 E CA 0.414 56.812 56.400 -0.003 0.000 0.832 144 E CB 0.111 29.810 29.700 -0.002 0.000 0.756 144 E HN 0.344 nan 8.360 nan 0.000 0.491 145 L N 0.151 121.370 121.223 -0.006 0.000 2.131 145 L HA -0.113 4.228 4.340 0.001 0.000 0.206 145 L C 2.328 179.190 176.870 -0.014 0.000 1.087 145 L CA 0.485 55.319 54.840 -0.010 0.000 0.767 145 L CB -0.189 41.864 42.059 -0.011 0.000 0.917 145 L HN 0.220 nan 8.230 nan 0.000 0.441 146 L N -0.469 120.746 121.223 -0.014 0.000 2.141 146 L HA -0.199 4.141 4.340 0.001 0.000 0.209 146 L C 2.441 179.300 176.870 -0.019 0.000 1.094 146 L CA 0.848 55.676 54.840 -0.020 0.000 0.763 146 L CB -0.305 41.746 42.059 -0.014 0.000 0.908 146 L HN 0.226 nan 8.230 nan 0.000 0.437 147 E N 0.162 120.354 120.200 -0.013 0.000 2.051 147 E HA -0.213 4.138 4.350 0.001 0.000 0.192 147 E C 2.062 178.655 176.600 -0.011 0.000 0.991 147 E CA 1.114 57.507 56.400 -0.011 0.000 0.799 147 E CB -0.173 29.523 29.700 -0.007 0.000 0.748 147 E HN 0.143 nan 8.360 nan 0.000 0.449 148 L N -0.389 120.828 121.223 -0.010 0.000 1.989 148 L HA -0.204 4.137 4.340 0.001 0.000 0.211 148 L C 2.336 179.201 176.870 -0.009 0.000 1.071 148 L CA 1.310 56.145 54.840 -0.008 0.000 0.749 148 L CB -0.904 41.151 42.059 -0.008 0.000 0.890 148 L HN 0.082 nan 8.230 nan 0.000 0.431 149 V N -0.601 119.304 119.914 -0.015 0.000 2.287 149 V HA -0.330 3.791 4.120 0.001 0.000 0.248 149 V C 2.435 178.519 176.094 -0.016 0.000 1.053 149 V CA 1.962 64.252 62.300 -0.016 0.000 1.027 149 V CB -0.552 31.253 31.823 -0.030 0.000 0.646 149 V HN 0.515 nan 8.190 nan 0.000 0.447 150 E N -0.750 119.436 120.200 -0.023 0.000 2.077 150 E HA -0.249 4.101 4.350 0.001 0.000 0.193 150 E C 2.146 178.737 176.600 -0.015 0.000 0.989 150 E CA 1.474 57.858 56.400 -0.026 0.000 0.800 150 E CB -0.230 29.450 29.700 -0.033 0.000 0.746 150 E HN 0.449 nan 8.360 nan 0.000 0.452 151 M N 0.753 120.348 119.600 -0.009 0.000 2.175 151 M HA -0.143 4.338 4.480 0.001 0.000 0.264 151 M C 1.806 178.109 176.300 0.006 0.000 1.063 151 M CA 1.439 56.738 55.300 -0.002 0.000 1.119 151 M CB 0.032 32.631 32.600 -0.001 0.000 1.377 151 M HN 0.038 nan 8.290 nan 0.000 0.415 152 E N -0.773 119.431 120.200 0.006 0.000 2.047 152 E HA -0.157 4.194 4.350 0.001 0.000 0.191 152 E C 2.052 178.668 176.600 0.026 0.000 0.987 152 E CA 1.496 57.905 56.400 0.015 0.000 0.799 152 E CB -0.216 29.492 29.700 0.013 0.000 0.752 152 E HN 0.289 nan 8.360 nan 0.000 0.449 153 V N 1.474 121.399 119.914 0.018 0.000 2.295 153 V HA -0.265 3.855 4.120 0.001 0.000 0.246 153 V C 2.281 178.393 176.094 0.030 0.000 1.049 153 V CA 1.785 64.098 62.300 0.023 0.000 1.024 153 V CB -0.545 31.278 31.823 0.001 0.000 0.648 153 V HN 0.203 nan 8.190 nan 0.000 0.447 154 R N -0.366 120.144 120.500 0.017 0.000 2.091 154 R HA -0.168 4.173 4.340 0.001 0.000 0.238 154 R C 2.388 178.716 176.300 0.046 0.000 1.136 154 R CA 1.393 57.509 56.100 0.025 0.000 0.959 154 R CB -0.336 29.970 30.300 0.010 0.000 0.856 154 R HN 0.468 nan 8.270 nan 0.000 0.437 155 E N 0.978 121.201 120.200 0.038 0.000 2.107 155 E HA -0.095 4.255 4.350 0.001 0.000 0.191 155 E C 2.088 178.723 176.600 0.057 0.000 0.982 155 E CA 0.781 57.202 56.400 0.036 0.000 0.809 155 E CB 0.017 29.729 29.700 0.020 0.000 0.756 155 E HN 0.310 nan 8.360 nan 0.000 0.459 156 L N 0.276 121.551 121.223 0.087 0.000 2.017 156 L HA -0.199 4.142 4.340 0.001 0.000 0.208 156 L C 2.641 179.667 176.870 0.259 0.000 1.073 156 L CA 0.806 55.743 54.840 0.162 0.000 0.745 156 L CB -0.426 41.728 42.059 0.158 0.000 0.894 156 L HN 0.153 nan 8.230 nan 0.000 0.432 157 L N -0.948 120.397 121.223 0.203 0.000 1.970 157 L HA -0.264 4.076 4.340 0.001 0.000 0.212 157 L C 2.738 179.799 176.870 0.318 0.000 1.071 157 L CA 1.515 56.521 54.840 0.276 0.000 0.751 157 L CB -0.619 41.535 42.059 0.159 0.000 0.889 157 L HN 0.175 nan 8.230 nan 0.000 0.432 158 S N -0.778 115.028 115.700 0.176 0.000 2.387 158 S HA -0.278 4.193 4.470 0.001 0.000 0.230 158 S C 1.870 176.493 174.600 0.038 0.000 1.035 158 S CA 1.354 59.619 58.200 0.107 0.000 1.014 158 S CB -0.320 62.915 63.200 0.057 0.000 0.836 158 S HN 0.443 nan 8.310 nan 0.000 0.466 159 Q N -0.921 118.867 119.800 -0.021 0.000 2.364 159 Q HA -0.095 4.246 4.340 0.001 0.000 0.209 159 Q C 0.297 176.031 176.000 -0.444 0.000 0.977 159 Q CA 1.041 56.695 55.803 -0.248 0.000 0.885 159 Q CB -0.085 28.435 28.738 -0.364 0.000 0.941 159 Q HN 0.667 nan 8.270 nan 0.000 0.464 160 Y N -0.447 119.908 120.300 0.092 0.000 2.720 160 Y HA 0.118 4.669 4.550 0.001 0.000 0.268 160 Y C -0.449 175.396 175.900 -0.091 0.000 1.142 160 Y CA -0.507 57.630 58.100 0.061 0.000 1.193 160 Y CB 0.614 39.186 38.460 0.186 0.000 1.176 160 Y HN 0.024 nan 8.280 nan 0.000 0.542 161 D N -1.185 119.210 120.400 -0.007 0.000 3.090 161 D HA -0.219 4.422 4.640 0.001 0.000 0.215 161 D C -0.663 175.531 176.300 -0.178 0.000 1.140 161 D CA 0.854 54.785 54.000 -0.113 0.000 0.937 161 D CB -1.719 38.977 40.800 -0.173 0.000 1.108 161 D HN 0.214 nan 8.370 nan 0.000 0.420 162 F N -0.149 119.847 119.950 0.077 0.000 2.397 162 F HA 0.388 4.915 4.527 0.001 0.000 0.331 162 F C -1.572 174.272 175.800 0.073 0.000 1.090 162 F CA -2.372 55.671 58.000 0.072 0.000 1.065 162 F CB 0.793 39.845 39.000 0.087 0.000 1.184 162 F HN -0.362 nan 8.300 nan 0.000 0.499 163 P HA 0.062 nan 4.420 nan 0.000 0.244 163 P C 0.985 178.381 177.300 0.159 0.000 1.723 163 P CA 0.353 63.569 63.100 0.194 0.000 1.110 163 P CB -0.042 31.793 31.700 0.226 0.000 1.972 164 G N 1.880 110.760 108.800 0.134 0.000 2.505 164 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 164 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 164 G C 1.158 176.084 174.900 0.044 0.000 1.145 164 G CA 0.671 45.822 45.100 0.084 0.000 0.761 164 G HN 0.278 nan 8.290 nan 0.000 0.571 165 D N 0.831 121.261 120.400 0.050 0.000 2.178 165 D HA -0.054 4.587 4.640 0.001 0.000 0.202 165 D C 1.604 177.920 176.300 0.027 0.000 0.974 165 D CA 1.017 55.038 54.000 0.033 0.000 0.841 165 D CB -0.100 40.724 40.800 0.040 0.000 0.953 165 D HN 0.286 nan 8.370 nan 0.000 0.478 166 D N 0.015 120.446 120.400 0.052 0.000 2.366 166 D HA -0.007 4.633 4.640 0.001 0.000 0.205 166 D C 0.336 176.601 176.300 -0.058 0.000 1.022 166 D CA 0.237 54.268 54.000 0.052 0.000 0.868 166 D CB -0.042 40.849 40.800 0.152 0.000 0.953 166 D HN -0.019 nan 8.370 nan 0.000 0.514 167 T N 3.577 118.082 114.554 -0.081 0.000 2.866 167 T HA 0.085 4.436 4.350 0.001 0.000 0.293 167 T C -2.403 172.049 174.700 -0.415 0.000 1.005 167 T CA -0.542 61.397 62.100 -0.269 0.000 1.162 167 T CB 0.863 69.652 68.868 -0.131 0.000 0.968 167 T HN -0.082 nan 8.240 nan 0.000 0.530 168 P HA 0.302 nan 4.420 nan 0.000 0.276 168 P C -0.547 176.398 177.300 -0.592 0.000 1.264 168 P CA -0.068 62.471 63.100 -0.936 0.000 0.769 168 P CB 0.249 30.902 31.700 -1.744 0.000 0.840 169 I N 3.994 124.339 120.570 -0.374 0.000 2.390 169 I HA 0.215 4.386 4.170 0.001 0.000 0.283 169 I C -0.266 175.775 176.117 -0.127 0.000 1.016 169 I CA -0.967 60.212 61.300 -0.203 0.000 1.151 169 I CB 1.643 39.560 38.000 -0.138 0.000 1.293 169 I HN -0.039 nan 8.210 nan 0.000 0.458 170 V N 6.911 126.780 119.914 -0.075 0.000 2.465 170 V HA 0.329 4.450 4.120 0.001 0.000 0.279 170 V C 0.484 176.433 176.094 -0.241 0.000 1.045 170 V CA -0.601 61.695 62.300 -0.006 0.000 0.938 170 V CB 1.240 33.194 31.823 0.218 0.000 0.986 170 V HN 0.646 nan 8.190 nan 0.000 0.467 171 R N 3.627 124.040 120.500 -0.146 0.000 2.230 171 R HA 0.570 4.910 4.340 0.001 0.000 0.337 171 R C 0.445 176.678 176.300 -0.112 0.000 1.063 171 R CA -0.068 55.930 56.100 -0.171 0.000 0.935 171 R CB 1.165 31.458 30.300 -0.012 0.000 1.121 171 R HN 0.910 nan 8.270 nan 0.000 0.486 172 G N -0.126 108.352 108.800 -0.536 0.000 3.209 172 G HA2 0.454 4.414 3.960 0.001 0.000 0.236 172 G HA3 0.454 4.414 3.960 0.001 0.000 0.236 172 G C -1.079 173.585 174.900 -0.395 0.000 1.329 172 G CA -0.457 44.494 45.100 -0.248 0.000 1.015 172 G HN 0.325 nan 8.290 nan 0.000 0.571 173 S N -1.621 113.962 115.700 -0.194 0.000 2.382 173 S HA 0.481 4.952 4.470 0.001 0.000 0.228 173 S C 0.751 175.307 174.600 -0.073 0.000 0.996 173 S CA 0.532 58.479 58.200 -0.422 0.000 1.094 173 S CB 0.670 63.104 63.200 -1.278 0.000 1.209 173 S HN 1.358 nan 8.310 nan 0.000 0.420 174 A N 4.858 127.712 122.820 0.058 0.000 1.969 174 A HA 0.087 4.408 4.320 0.001 0.000 0.218 174 A C 1.931 179.491 177.584 -0.041 0.000 1.169 174 A CA 0.787 52.833 52.037 0.015 0.000 0.635 174 A CB -0.344 18.642 19.000 -0.024 0.000 0.810 174 A HN 0.696 nan 8.150 nan 0.000 0.445 175 L N -0.820 120.356 121.223 -0.078 0.000 2.027 175 L HA -0.093 4.248 4.340 0.001 0.000 0.206 175 L C 2.258 179.089 176.870 -0.065 0.000 1.074 175 L CA 2.098 56.893 54.840 -0.076 0.000 0.745 175 L CB -0.862 41.141 42.059 -0.094 0.000 0.898 175 L HN 0.256 nan 8.230 nan 0.000 0.433 176 K N -0.354 119.979 120.400 -0.113 0.000 2.103 176 K HA 0.016 4.336 4.320 0.001 0.000 0.204 176 K C 2.087 178.743 176.600 0.093 0.000 1.052 176 K CA 1.246 57.511 56.287 -0.036 0.000 0.945 176 K CB -0.381 32.001 32.500 -0.197 0.000 0.722 176 K HN 0.297 nan 8.250 nan 0.000 0.443 177 A N 0.390 123.275 122.820 0.108 0.000 1.877 177 A HA -0.138 4.183 4.320 0.001 0.000 0.216 177 A C 1.991 179.607 177.584 0.053 0.000 1.186 177 A CA 1.284 53.401 52.037 0.134 0.000 0.620 177 A CB -0.659 18.419 19.000 0.131 0.000 0.822 177 A HN 0.235 nan 8.150 nan 0.000 0.443 178 L N 0.279 121.509 121.223 0.012 0.000 2.191 178 L HA -0.111 4.230 4.340 0.001 0.000 0.212 178 L C 1.820 178.689 176.870 -0.001 0.000 1.103 178 L CA 1.831 56.663 54.840 -0.012 0.000 0.769 178 L CB -0.603 41.437 42.059 -0.032 0.000 0.908 178 L HN 0.498 nan 8.230 nan 0.000 0.438 179 E N -1.086 119.122 120.200 0.014 0.000 2.494 179 E HA 0.118 4.469 4.350 0.001 0.000 0.193 179 E C 1.338 177.956 176.600 0.030 0.000 1.074 179 E CA 0.484 56.895 56.400 0.018 0.000 0.867 179 E CB -0.171 29.543 29.700 0.023 0.000 0.924 179 E HN 0.574 nan 8.360 nan 0.000 0.502 180 G N 2.268 111.088 108.800 0.033 0.000 2.162 180 G HA2 -0.283 3.677 3.960 0.001 0.000 0.260 180 G HA3 -0.283 3.677 3.960 0.001 0.000 0.260 180 G C 0.099 175.028 174.900 0.049 0.000 0.976 180 G CA 0.277 45.395 45.100 0.030 0.000 0.655 180 G HN 0.376 nan 8.290 nan 0.000 0.533 181 D N 1.110 121.564 120.400 0.091 0.000 2.357 181 D HA 0.453 5.093 4.640 0.001 0.000 0.265 181 D C 1.799 178.161 176.300 0.103 0.000 1.334 181 D CA 0.681 54.756 54.000 0.124 0.000 0.984 181 D CB 0.407 41.355 40.800 0.247 0.000 1.077 181 D HN 0.481 nan 8.370 nan 0.000 0.514 182 A N 4.648 127.488 122.820 0.033 0.000 1.940 182 A HA -0.260 4.061 4.320 0.001 0.000 0.221 182 A C 1.998 179.555 177.584 -0.046 0.000 1.190 182 A CA 1.562 53.596 52.037 -0.006 0.000 0.647 182 A CB -0.396 18.587 19.000 -0.028 0.000 0.821 182 A HN 0.717 nan 8.150 nan 0.000 0.457 183 E N -1.299 118.829 120.200 -0.121 0.000 2.118 183 E HA -0.228 4.122 4.350 0.001 0.000 0.195 183 E C 1.751 178.119 176.600 -0.386 0.000 0.992 183 E CA 1.595 57.803 56.400 -0.320 0.000 0.804 183 E CB -0.173 29.228 29.700 -0.499 0.000 0.741 183 E HN 0.888 nan 8.360 nan 0.000 0.458 184 W N 0.569 121.874 121.300 0.009 0.000 2.737 184 W HA 0.093 4.753 4.660 0.001 0.000 0.262 184 W C 2.182 178.724 176.519 0.039 0.000 1.282 184 W CA -0.195 57.167 57.345 0.028 0.000 1.386 184 W CB 0.257 29.735 29.460 0.030 0.000 1.099 184 W HN 0.068 nan 8.180 nan 0.000 0.621 185 E N 0.673 120.988 120.200 0.193 0.000 2.106 185 E HA -0.183 4.167 4.350 0.001 0.000 0.192 185 E C 2.331 178.978 176.600 0.079 0.000 0.984 185 E CA 1.198 57.664 56.400 0.109 0.000 0.806 185 E CB -0.324 29.401 29.700 0.043 0.000 0.750 185 E HN 0.228 nan 8.360 nan 0.000 0.458 186 A N 1.710 124.556 122.820 0.043 0.000 1.978 186 A HA -0.204 4.116 4.320 0.001 0.000 0.220 186 A C 1.941 179.566 177.584 0.068 0.000 1.170 186 A CA 1.249 53.296 52.037 0.017 0.000 0.636 186 A CB -0.183 18.794 19.000 -0.037 0.000 0.810 186 A HN -0.027 nan 8.150 nan 0.000 0.448 187 K N -0.210 120.277 120.400 0.145 0.000 2.148 187 K HA 0.001 4.321 4.320 0.001 0.000 0.204 187 K C 1.760 178.543 176.600 0.304 0.000 1.050 187 K CA 0.710 57.143 56.287 0.244 0.000 0.942 187 K CB -0.446 32.278 32.500 0.375 0.000 0.724 187 K HN 0.477 nan 8.250 nan 0.000 0.446 188 I N 1.061 121.770 120.570 0.231 0.000 2.252 188 I HA -0.197 3.974 4.170 0.001 0.000 0.245 188 I C 2.242 178.409 176.117 0.083 0.000 1.102 188 I CA 1.051 62.422 61.300 0.118 0.000 1.385 188 I CB -0.931 37.083 38.000 0.024 0.000 1.064 188 I HN 0.056 nan 8.210 nan 0.000 0.414 189 L N 0.250 121.517 121.223 0.074 0.000 2.201 189 L HA -0.179 4.162 4.340 0.001 0.000 0.212 189 L C 2.499 179.401 176.870 0.053 0.000 1.105 189 L CA 1.063 55.946 54.840 0.072 0.000 0.775 189 L CB -0.474 41.609 42.059 0.040 0.000 0.913 189 L HN 0.319 nan 8.230 nan 0.000 0.440 190 E N 0.506 120.738 120.200 0.053 0.000 2.107 190 E HA -0.242 4.109 4.350 0.001 0.000 0.191 190 E C 2.191 178.810 176.600 0.031 0.000 0.982 190 E CA 0.822 57.210 56.400 -0.021 0.000 0.809 190 E CB 0.091 29.825 29.700 0.055 0.000 0.756 190 E HN 0.300 nan 8.360 nan 0.000 0.459 191 L N 0.942 122.290 121.223 0.209 0.000 2.005 191 L HA -0.046 4.295 4.340 0.001 0.000 0.207 191 L C 2.296 179.268 176.870 0.169 0.000 1.072 191 L CA 2.255 57.272 54.840 0.295 0.000 0.744 191 L CB -0.839 41.358 42.059 0.230 0.000 0.895 191 L HN 0.134 nan 8.230 nan 0.000 0.433 192 A N -0.361 122.507 122.820 0.081 0.000 1.940 192 A HA -0.124 4.197 4.320 0.001 0.000 0.219 192 A C 2.340 179.970 177.584 0.076 0.000 1.176 192 A CA 1.668 53.741 52.037 0.060 0.000 0.631 192 A CB -1.686 17.378 19.000 0.107 0.000 0.814 192 A HN 0.571 nan 8.150 nan 0.000 0.446 193 G N -1.411 107.399 108.800 0.017 0.000 2.442 193 G HA2 -0.168 3.793 3.960 0.001 0.000 0.219 193 G HA3 -0.168 3.793 3.960 0.001 0.000 0.219 193 G C 1.284 176.144 174.900 -0.066 0.000 1.141 193 G CA 1.135 46.191 45.100 -0.073 0.000 0.763 193 G HN 0.428 nan 8.290 nan 0.000 0.554 194 F N 0.533 120.533 119.950 0.083 0.000 2.259 194 F HA 0.217 4.744 4.527 0.001 0.000 0.298 194 F C 2.583 178.460 175.800 0.128 0.000 1.088 194 F CA 0.237 58.294 58.000 0.095 0.000 1.358 194 F CB -0.351 38.679 39.000 0.050 0.000 1.040 194 F HN 0.017 nan 8.300 nan 0.000 0.505 195 L N -0.414 120.966 121.223 0.261 0.000 2.083 195 L HA -0.229 4.112 4.340 0.001 0.000 0.209 195 L C 2.017 179.042 176.870 0.258 0.000 1.083 195 L CA 1.293 56.241 54.840 0.179 0.000 0.752 195 L CB -0.607 41.397 42.059 -0.091 0.000 0.899 195 L HN 0.066 nan 8.230 nan 0.000 0.433 196 D N -0.576 119.965 120.400 0.234 0.000 2.123 196 D HA -0.118 4.522 4.640 0.001 0.000 0.200 196 D C 2.364 178.735 176.300 0.117 0.000 0.976 196 D CA 1.753 55.865 54.000 0.186 0.000 0.831 196 D CB 0.060 40.932 40.800 0.121 0.000 0.974 196 D HN 0.355 nan 8.370 nan 0.000 0.469 197 S N -0.926 114.855 115.700 0.135 0.000 2.441 197 S HA -0.072 4.399 4.470 0.001 0.000 0.224 197 S C 2.089 176.776 174.600 0.144 0.000 1.043 197 S CA -0.017 58.258 58.200 0.125 0.000 0.948 197 S CB -0.499 62.777 63.200 0.128 0.000 0.810 197 S HN 0.186 nan 8.310 nan 0.000 0.504 198 Y N 2.249 122.595 120.300 0.077 0.000 2.243 198 Y HA 0.405 4.956 4.550 0.001 0.000 0.293 198 Y C 0.658 176.390 175.900 -0.279 0.000 1.124 198 Y CA -0.050 58.032 58.100 -0.031 0.000 1.159 198 Y CB -0.066 38.431 38.460 0.062 0.000 1.008 198 Y HN 0.166 nan 8.280 nan 0.000 0.527 199 I N 3.424 123.898 120.570 -0.160 0.000 2.308 199 I HA 0.175 4.345 4.170 0.001 0.000 0.293 199 I C -2.225 173.758 176.117 -0.224 0.000 1.078 199 I CA -1.942 59.179 61.300 -0.297 0.000 1.292 199 I CB 0.544 38.568 38.000 0.040 0.000 1.423 199 I HN 0.029 nan 8.210 nan 0.000 0.493 200 P HA -0.099 nan 4.420 nan 0.000 0.265 200 P C -0.154 177.116 177.300 -0.049 0.000 1.187 200 P CA -0.049 62.956 63.100 -0.159 0.000 0.766 200 P CB 0.427 32.052 31.700 -0.126 0.000 0.820 201 E N 5.042 125.223 120.200 -0.031 0.000 2.406 201 E HA 0.035 4.386 4.350 0.001 0.000 0.258 201 E C -1.591 175.012 176.600 0.005 0.000 1.043 201 E CA -1.671 54.719 56.400 -0.016 0.000 0.929 201 E CB -0.043 29.646 29.700 -0.018 0.000 0.969 201 E HN 0.298 nan 8.360 nan 0.000 0.462 202 P HA -0.099 nan 4.420 nan 0.000 0.266 202 P C -0.592 176.727 177.300 0.031 0.000 1.193 202 P CA 0.324 63.447 63.100 0.040 0.000 0.770 202 P CB 0.540 32.274 31.700 0.055 0.000 0.836 203 E N 2.994 123.215 120.200 0.034 0.000 2.265 203 E HA 0.035 4.386 4.350 0.001 0.000 0.272 203 E C -0.055 176.560 176.600 0.024 0.000 1.067 203 E CA -0.415 56.002 56.400 0.027 0.000 0.900 203 E CB 0.319 30.036 29.700 0.028 0.000 1.017 203 E HN 0.247 nan 8.360 nan 0.000 0.431 204 R N 2.909 123.421 120.500 0.020 0.000 2.623 204 R HA 0.050 4.391 4.340 0.001 0.000 0.271 204 R C 1.124 177.434 176.300 0.016 0.000 1.043 204 R CA 0.292 56.402 56.100 0.016 0.000 1.083 204 R CB 0.627 30.935 30.300 0.013 0.000 0.974 204 R HN 0.672 nan 8.270 nan 0.000 0.436 205 A N 3.842 126.669 122.820 0.012 0.000 1.917 205 A HA -0.207 4.113 4.320 0.001 0.000 0.219 205 A C 1.968 179.564 177.584 0.020 0.000 1.182 205 A CA 1.457 53.501 52.037 0.011 0.000 0.633 205 A CB -0.534 18.469 19.000 0.004 0.000 0.819 205 A HN 0.877 nan 8.150 nan 0.000 0.448 206 I N -0.629 119.954 120.570 0.022 0.000 2.700 206 I HA -0.192 3.979 4.170 0.001 0.000 0.261 206 I C 0.882 177.020 176.117 0.034 0.000 1.219 206 I CA 1.483 62.801 61.300 0.031 0.000 1.463 206 I CB -0.138 37.877 38.000 0.024 0.000 1.092 206 I HN 0.300 nan 8.210 nan 0.000 0.452 207 D N 0.628 121.045 120.400 0.027 0.000 2.346 207 D HA 0.018 4.659 4.640 0.001 0.000 0.206 207 D C 0.622 176.941 176.300 0.031 0.000 1.001 207 D CA 0.349 54.365 54.000 0.027 0.000 0.871 207 D CB 0.224 41.036 40.800 0.021 0.000 0.943 207 D HN 0.362 nan 8.370 nan 0.000 0.518 208 K N 2.057 122.475 120.400 0.030 0.000 2.180 208 K HA 0.174 4.495 4.320 0.001 0.000 0.251 208 K C -2.331 174.294 176.600 0.043 0.000 1.014 208 K CA -1.330 54.974 56.287 0.028 0.000 0.913 208 K CB 0.123 32.632 32.500 0.015 0.000 1.008 208 K HN -0.047 nan 8.250 nan 0.000 0.490 209 P HA -0.103 nan 4.420 nan 0.000 0.267 209 P C -0.336 177.012 177.300 0.079 0.000 1.205 209 P CA -0.052 63.088 63.100 0.066 0.000 0.765 209 P CB 0.194 31.920 31.700 0.043 0.000 0.828 210 F N 5.202 125.148 119.950 -0.006 0.000 2.594 210 F HA 0.049 4.576 4.527 0.001 0.000 0.384 210 F C -0.438 175.356 175.800 -0.010 0.000 1.060 210 F CA 0.566 58.561 58.000 -0.008 0.000 1.278 210 F CB 0.057 39.051 39.000 -0.010 0.000 0.977 210 F HN 0.290 nan 8.300 nan 0.000 0.576 211 L N 8.331 128.927 121.223 -1.045 0.000 2.588 211 L HA 0.508 4.849 4.340 0.001 0.000 0.263 211 L C -2.109 174.257 176.870 -0.840 0.000 0.935 211 L CA -0.877 53.426 54.840 -0.894 0.000 0.891 211 L CB 1.610 43.447 42.059 -0.370 0.000 1.318 211 L HN 0.828 nan 8.230 nan 0.000 0.409 212 L N 6.758 127.541 121.223 -0.733 0.000 2.404 212 L HA 0.673 5.013 4.340 0.001 0.000 0.272 212 L C -2.583 174.185 176.870 -0.170 0.000 0.980 212 L CA -1.310 53.338 54.840 -0.321 0.000 0.836 212 L CB 2.464 44.460 42.059 -0.105 0.000 1.238 212 L HN 0.353 nan 8.230 nan 0.000 0.408 213 P HA 0.259 nan 4.420 nan 0.000 0.280 213 P C -0.506 176.763 177.300 -0.051 0.000 1.300 213 P CA 0.107 63.163 63.100 -0.074 0.000 0.785 213 P CB 0.521 32.191 31.700 -0.049 0.000 0.874 214 I N 3.513 124.051 120.570 -0.054 0.000 2.598 214 I HA -0.030 4.141 4.170 0.001 0.000 0.284 214 I C 1.344 177.429 176.117 -0.053 0.000 1.140 214 I CA 0.741 62.011 61.300 -0.051 0.000 1.420 214 I CB 0.586 38.551 38.000 -0.059 0.000 1.387 214 I HN 0.469 nan 8.210 nan 0.000 0.553 215 E N 3.722 123.890 120.200 -0.054 0.000 2.182 215 E HA 0.111 4.461 4.350 0.001 0.000 0.195 215 E C -0.417 176.123 176.600 -0.099 0.000 0.933 215 E CA 0.089 56.461 56.400 -0.046 0.000 0.940 215 E CB 0.501 30.196 29.700 -0.010 0.000 0.945 215 E HN 0.613 nan 8.360 nan 0.000 0.477 216 D N 0.874 121.172 120.400 -0.171 0.000 2.457 216 D HA 0.380 5.020 4.640 0.001 0.000 0.240 216 D C -0.834 175.106 176.300 -0.599 0.000 1.041 216 D CA -0.415 53.355 54.000 -0.383 0.000 0.861 216 D CB 3.123 43.666 40.800 -0.429 0.000 1.394 216 D HN -0.136 nan 8.370 nan 0.000 0.473 217 V N 1.591 121.091 119.914 -0.689 0.000 2.604 217 V HA 0.512 4.632 4.120 0.001 0.000 0.305 217 V C -0.940 174.738 176.094 -0.694 0.000 1.043 217 V CA -0.687 61.288 62.300 -0.541 0.000 0.888 217 V CB 1.251 32.929 31.823 -0.241 0.000 0.995 217 V HN 0.390 nan 8.190 nan 0.000 0.429 218 F N 1.346 121.298 119.950 0.003 0.000 2.576 218 F HA 0.705 5.232 4.527 0.001 0.000 0.313 218 F C 0.477 176.279 175.800 0.002 0.000 1.078 218 F CA -0.712 57.290 58.000 0.004 0.000 0.921 218 F CB 2.226 41.229 39.000 0.005 0.000 1.232 218 F HN 0.507 nan 8.300 nan 0.000 0.459 219 S N 1.273 117.093 115.700 0.199 0.000 2.690 219 S HA 0.814 5.285 4.470 0.001 0.000 0.291 219 S C 0.070 174.729 174.600 0.098 0.000 1.138 219 S CA -0.514 57.750 58.200 0.107 0.000 1.013 219 S CB 1.889 65.131 63.200 0.071 0.000 1.053 219 S HN 0.643 nan 8.310 nan 0.000 0.539 220 I N -0.762 119.844 120.570 0.060 0.000 4.147 220 I HA 0.180 4.351 4.170 0.001 0.000 0.278 220 I C -0.522 175.609 176.117 0.023 0.000 1.133 220 I CA -0.136 61.188 61.300 0.039 0.000 1.317 220 I CB 0.045 38.066 38.000 0.036 0.000 1.688 220 I HN 0.751 nan 8.210 nan 0.000 0.432 221 S N 0.830 116.543 115.700 0.021 0.000 2.913 221 S HA 0.042 4.512 4.470 0.001 0.000 0.856 221 S C 0.369 174.974 174.600 0.010 0.000 0.913 221 S CA 0.581 58.789 58.200 0.013 0.000 1.428 221 S CB -0.713 62.494 63.200 0.012 0.000 1.022 221 S HN 1.058 nan 8.310 nan 0.000 0.260 222 G N 2.753 111.558 108.800 0.008 0.000 2.481 222 G HA2 -0.219 3.742 3.960 0.001 0.000 0.200 222 G HA3 -0.219 3.742 3.960 0.001 0.000 0.200 222 G C 0.408 175.311 174.900 0.005 0.000 1.012 222 G CA 0.789 45.892 45.100 0.005 0.000 0.676 222 G HN 1.177 nan 8.290 nan 0.000 0.488 223 R N -0.250 120.255 120.500 0.008 0.000 4.528 223 R HA 0.597 4.938 4.340 0.001 0.000 0.121 223 R C 1.051 177.357 176.300 0.011 0.000 0.727 223 R CA 1.643 57.747 56.100 0.008 0.000 0.977 223 R CB -0.076 30.229 30.300 0.008 0.000 1.506 223 R HN 1.721 nan 8.270 nan 0.000 0.428 224 G N 0.332 109.143 108.800 0.018 0.000 2.441 224 G HA2 0.218 4.178 3.960 0.001 0.000 0.225 224 G HA3 0.218 4.178 3.960 0.001 0.000 0.225 224 G C -1.543 173.379 174.900 0.036 0.000 1.200 224 G CA -0.214 44.899 45.100 0.021 0.000 0.947 224 G HN 0.147 nan 8.290 nan 0.000 0.484 225 T N 0.436 115.011 114.554 0.034 0.000 2.837 225 T HA 0.592 4.943 4.350 0.001 0.000 0.285 225 T C -0.267 174.467 174.700 0.057 0.000 0.984 225 T CA -0.152 61.977 62.100 0.047 0.000 1.049 225 T CB 1.546 70.428 68.868 0.023 0.000 0.947 225 T HN 0.587 nan 8.240 nan 0.000 0.472 226 V N 4.047 124.022 119.914 0.101 0.000 2.495 226 V HA 0.596 4.716 4.120 0.001 0.000 0.298 226 V C -0.106 176.035 176.094 0.079 0.000 1.031 226 V CA -0.879 61.493 62.300 0.121 0.000 0.871 226 V CB 1.674 33.623 31.823 0.210 0.000 0.988 226 V HN 0.785 nan 8.190 nan 0.000 0.432 227 V N 1.401 121.340 119.914 0.041 0.000 2.495 227 V HA 0.852 4.973 4.120 0.001 0.000 0.298 227 V C 0.069 176.174 176.094 0.018 0.000 1.031 227 V CA -0.414 61.872 62.300 -0.023 0.000 0.871 227 V CB 1.386 33.194 31.823 -0.025 0.000 0.988 227 V HN 0.942 nan 8.190 nan 0.000 0.432 228 T N 1.261 115.808 114.554 -0.012 0.000 2.902 228 T HA 0.968 5.318 4.350 0.001 0.000 0.283 228 T C 0.213 174.919 174.700 0.010 0.000 1.009 228 T CA 0.038 62.161 62.100 0.038 0.000 1.051 228 T CB 1.497 70.435 68.868 0.116 0.000 0.999 228 T HN 1.995 nan 8.240 nan 0.000 0.474 229 G N 0.752 109.564 108.800 0.019 0.000 2.320 229 G HA2 0.436 4.397 3.960 0.001 0.000 0.296 229 G HA3 0.436 4.397 3.960 0.001 0.000 0.296 229 G C -1.786 173.119 174.900 0.008 0.000 1.306 229 G CA -1.198 43.907 45.100 0.009 0.000 0.836 229 G HN 0.827 nan 8.290 nan 0.000 0.517 230 R N 0.408 120.909 120.500 0.002 0.000 2.295 230 R HA 0.544 4.885 4.340 0.001 0.000 0.324 230 R C -0.135 176.165 176.300 -0.001 0.000 0.968 230 R CA -0.510 55.591 56.100 0.002 0.000 0.837 230 R CB 1.253 31.554 30.300 0.002 0.000 1.133 230 R HN 0.392 nan 8.270 nan 0.000 0.450 231 V N 5.127 125.056 119.914 0.025 0.000 2.475 231 V HA -0.104 4.016 4.120 0.001 0.000 0.292 231 V C 1.650 177.735 176.094 -0.015 0.000 1.003 231 V CA 0.659 62.979 62.300 0.032 0.000 1.120 231 V CB 0.661 32.558 31.823 0.122 0.000 0.937 231 V HN 0.942 nan 8.190 nan 0.000 0.476 232 E N 5.376 125.529 120.200 -0.077 0.000 2.028 232 E HA -0.068 4.283 4.350 0.001 0.000 0.190 232 E C 0.996 177.569 176.600 -0.044 0.000 0.984 232 E CA 0.911 57.272 56.400 -0.064 0.000 0.800 232 E CB 0.343 29.985 29.700 -0.097 0.000 0.758 232 E HN 0.843 nan 8.360 nan 0.000 0.448 233 R N -2.031 118.431 120.500 -0.063 0.000 2.752 233 R HA 0.548 4.889 4.340 0.001 0.000 0.271 233 R C 0.080 176.407 176.300 0.045 0.000 1.026 233 R CA -0.573 55.519 56.100 -0.013 0.000 0.901 233 R CB 0.726 31.011 30.300 -0.025 0.000 1.243 233 R HN 0.173 nan 8.270 nan 0.000 0.463 234 G N 0.513 109.362 108.800 0.081 0.000 2.697 234 G HA2 -0.178 3.783 3.960 0.001 0.000 0.240 234 G HA3 -0.178 3.783 3.960 0.001 0.000 0.240 234 G C -0.693 174.326 174.900 0.198 0.000 1.346 234 G CA 0.003 45.191 45.100 0.147 0.000 0.887 234 G HN 0.664 nan 8.290 nan 0.000 0.569 235 I N -0.359 120.325 120.570 0.190 0.000 2.569 235 I HA 0.498 4.669 4.170 0.001 0.000 0.290 235 I C -0.521 175.540 176.117 -0.094 0.000 1.088 235 I CA -0.835 60.516 61.300 0.086 0.000 1.047 235 I CB 1.898 39.910 38.000 0.020 0.000 1.237 235 I HN 0.612 nan 8.210 nan 0.000 0.421 236 I N 6.816 127.211 120.570 -0.292 0.000 2.377 236 I HA 0.441 4.612 4.170 0.001 0.000 0.293 236 I C -0.741 175.192 176.117 -0.307 0.000 0.987 236 I CA -0.031 60.870 61.300 -0.664 0.000 1.185 236 I CB 0.699 38.032 38.000 -1.113 0.000 1.341 236 I HN 0.483 nan 8.210 nan 0.000 0.455 237 K N 5.459 125.708 120.400 -0.252 0.000 2.395 237 K HA 0.599 4.919 4.320 0.001 0.000 0.247 237 K C -1.168 175.356 176.600 -0.127 0.000 0.973 237 K CA -1.104 55.097 56.287 -0.144 0.000 0.828 237 K CB 2.113 34.553 32.500 -0.099 0.000 1.272 237 K HN 0.328 nan 8.250 nan 0.000 0.439 238 V N 1.754 121.616 119.914 -0.086 0.000 2.694 238 V HA 0.081 4.202 4.120 0.001 0.000 0.306 238 V C 1.414 177.471 176.094 -0.061 0.000 1.054 238 V CA 1.701 63.961 62.300 -0.067 0.000 1.161 238 V CB 0.169 31.965 31.823 -0.045 0.000 0.916 238 V HN 1.158 nan 8.190 nan 0.000 0.490 239 G N 3.372 112.139 108.800 -0.056 0.000 2.268 239 G HA2 -0.219 3.742 3.960 0.001 0.000 0.240 239 G HA3 -0.219 3.742 3.960 0.001 0.000 0.240 239 G C 0.112 174.980 174.900 -0.053 0.000 1.010 239 G CA 0.195 45.267 45.100 -0.046 0.000 0.618 239 G HN 0.688 nan 8.290 nan 0.000 0.516 240 E N 1.118 121.272 120.200 -0.077 0.000 2.373 240 E HA 0.436 4.786 4.350 0.001 0.000 0.267 240 E C 0.159 176.714 176.600 -0.074 0.000 1.032 240 E CA -0.191 56.160 56.400 -0.082 0.000 0.889 240 E CB 0.950 30.578 29.700 -0.121 0.000 0.984 240 E HN 0.473 nan 8.360 nan 0.000 0.425 241 E N 1.343 121.515 120.200 -0.047 0.000 2.313 241 E HA 0.274 4.625 4.350 0.001 0.000 0.272 241 E C -0.897 175.695 176.600 -0.013 0.000 1.038 241 E CA -0.577 55.806 56.400 -0.027 0.000 0.863 241 E CB 1.130 30.821 29.700 -0.014 0.000 1.060 241 E HN 0.292 nan 8.360 nan 0.000 0.402 242 V N -0.155 119.764 119.914 0.008 0.000 3.078 242 V HA 0.578 4.699 4.120 0.001 0.000 0.311 242 V C -0.869 175.255 176.094 0.049 0.000 1.138 242 V CA -0.906 61.431 62.300 0.061 0.000 1.007 242 V CB 1.991 33.875 31.823 0.101 0.000 1.045 242 V HN 0.652 nan 8.190 nan 0.000 0.432 243 E N 2.457 122.694 120.200 0.061 0.000 2.195 243 E HA 0.552 4.903 4.350 0.001 0.000 0.271 243 E C -1.265 175.344 176.600 0.015 0.000 0.923 243 E CA -0.963 55.450 56.400 0.022 0.000 0.790 243 E CB 2.376 32.079 29.700 0.005 0.000 1.155 243 E HN 0.624 nan 8.360 nan 0.000 0.402 244 I N 3.152 123.718 120.570 -0.007 0.000 2.282 244 I HA 0.209 4.379 4.170 0.001 0.000 0.290 244 I C -0.208 175.881 176.117 -0.047 0.000 1.090 244 I CA -0.562 60.724 61.300 -0.023 0.000 1.231 244 I CB 0.005 37.989 38.000 -0.026 0.000 1.434 244 I HN 0.175 nan 8.210 nan 0.000 0.487 245 V N 4.594 124.472 119.914 -0.060 0.000 2.483 245 V HA 0.953 5.073 4.120 0.001 0.000 0.295 245 V C 0.597 176.631 176.094 -0.100 0.000 1.035 245 V CA -0.388 61.861 62.300 -0.084 0.000 0.896 245 V CB 1.187 32.954 31.823 -0.093 0.000 0.986 245 V HN 1.061 nan 8.190 nan 0.000 0.447 246 G N 2.819 111.551 108.800 -0.113 0.000 2.617 246 G HA2 0.097 4.057 3.960 0.001 0.000 0.686 246 G HA3 0.097 4.057 3.960 0.001 0.000 0.686 246 G C -0.114 174.713 174.900 -0.122 0.000 1.214 246 G CA -0.315 44.714 45.100 -0.119 0.000 0.796 246 G HN 1.163 nan 8.290 nan 0.000 0.654 247 I N -1.700 118.793 120.570 -0.129 0.000 4.588 247 I HA -0.364 3.807 4.170 0.001 0.000 0.053 247 I C 1.483 177.462 176.117 -0.230 0.000 0.617 247 I CA 2.493 63.636 61.300 -0.262 0.000 0.853 247 I CB -1.214 36.599 38.000 -0.312 0.000 0.779 247 I HN 0.725 nan 8.210 nan 0.000 0.163 248 K N 0.989 121.292 120.400 -0.163 0.000 2.416 248 K HA 0.463 4.783 4.320 0.001 0.000 0.244 248 K C 0.013 176.556 176.600 -0.095 0.000 1.044 248 K CA -0.669 55.545 56.287 -0.122 0.000 0.972 248 K CB 0.628 33.066 32.500 -0.104 0.000 1.286 248 K HN 0.148 nan 8.250 nan 0.000 0.500 249 E N 0.879 121.033 120.200 -0.076 0.000 2.360 249 E HA 0.015 4.365 4.350 0.001 0.000 0.269 249 E C -0.742 175.820 176.600 -0.063 0.000 1.022 249 E CA -0.158 56.203 56.400 -0.065 0.000 0.887 249 E CB 0.681 30.350 29.700 -0.052 0.000 0.990 249 E HN 0.373 nan 8.360 nan 0.000 0.426 250 T N 3.980 118.495 114.554 -0.065 0.000 2.946 250 T HA -0.001 4.350 4.350 0.001 0.000 0.311 250 T C -0.116 174.558 174.700 -0.043 0.000 1.063 250 T CA 0.357 62.422 62.100 -0.058 0.000 1.139 250 T CB 0.555 69.388 68.868 -0.059 0.000 0.994 250 T HN 0.441 nan 8.240 nan 0.000 0.547 251 Q N 0.959 120.737 119.800 -0.037 0.000 2.451 251 Q HA 0.574 4.914 4.340 0.001 0.000 0.281 251 Q C -0.711 175.278 176.000 -0.018 0.000 1.099 251 Q CA -0.937 54.849 55.803 -0.027 0.000 0.806 251 Q CB 2.677 31.398 28.738 -0.027 0.000 1.419 251 Q HN 0.440 nan 8.270 nan 0.000 0.427 252 K N 0.501 120.892 120.400 -0.014 0.000 2.316 252 K HA 0.695 5.016 4.320 0.001 0.000 0.251 252 K C -1.355 175.241 176.600 -0.006 0.000 0.934 252 K CA -0.241 56.042 56.287 -0.007 0.000 0.802 252 K CB 2.022 34.517 32.500 -0.008 0.000 1.171 252 K HN 0.532 nan 8.250 nan 0.000 0.426 253 S N 0.780 116.479 115.700 -0.003 0.000 2.688 253 S HA 0.569 5.040 4.470 0.001 0.000 0.275 253 S C -1.593 173.001 174.600 -0.009 0.000 1.175 253 S CA -0.575 57.622 58.200 -0.005 0.000 0.818 253 S CB 1.864 65.062 63.200 -0.003 0.000 1.157 253 S HN 0.529 nan 8.310 nan 0.000 0.482 254 T N 1.293 115.838 114.554 -0.015 0.000 2.841 254 T HA 0.393 4.743 4.350 0.001 0.000 0.283 254 T C -0.377 174.304 174.700 -0.032 0.000 1.000 254 T CA -0.390 61.695 62.100 -0.025 0.000 0.977 254 T CB 0.967 69.821 68.868 -0.023 0.000 0.979 254 T HN 0.765 nan 8.240 nan 0.000 0.446 255 C N 4.386 123.655 119.300 -0.053 0.000 2.657 255 C HA 0.285 4.746 4.460 0.001 0.000 0.404 255 C C 2.051 177.013 174.990 -0.048 0.000 1.369 255 C CA 0.296 59.276 59.018 -0.063 0.000 1.665 255 C CB -1.403 26.267 27.740 -0.116 0.000 2.453 255 C HN 1.072 nan 8.230 nan 0.000 0.599 256 T N 2.453 116.988 114.554 -0.032 0.000 3.044 256 T HA 0.441 4.792 4.350 0.001 0.000 0.250 256 T C 0.660 175.345 174.700 -0.024 0.000 1.081 256 T CA 0.492 62.577 62.100 -0.024 0.000 1.040 256 T CB 0.133 68.993 68.868 -0.013 0.000 0.962 256 T HN 1.529 nan 8.240 nan 0.000 0.506 257 G N 0.030 108.812 108.800 -0.029 0.000 2.402 257 G HA2 0.454 4.414 3.960 0.001 0.000 0.301 257 G HA3 0.454 4.414 3.960 0.001 0.000 0.301 257 G C -1.851 173.033 174.900 -0.027 0.000 1.615 257 G CA -0.728 44.356 45.100 -0.026 0.000 0.889 257 G HN 0.236 nan 8.290 nan 0.000 0.647 258 V N 1.241 121.137 119.914 -0.030 0.000 2.628 258 V HA 0.872 4.993 4.120 0.001 0.000 0.306 258 V C -0.019 176.065 176.094 -0.017 0.000 1.045 258 V CA -0.507 61.776 62.300 -0.028 0.000 0.905 258 V CB 1.656 33.452 31.823 -0.044 0.000 0.997 258 V HN 1.089 nan 8.190 nan 0.000 0.436 259 E N 4.188 124.380 120.200 -0.014 0.000 2.392 259 E HA 0.717 5.068 4.350 0.001 0.000 0.279 259 E C -1.277 175.296 176.600 -0.044 0.000 0.964 259 E CA -0.983 55.409 56.400 -0.014 0.000 0.777 259 E CB 2.797 32.496 29.700 -0.001 0.000 1.249 259 E HN 0.566 nan 8.360 nan 0.000 0.449 260 M N 2.617 122.184 119.600 -0.055 0.000 2.324 260 M HA 0.392 4.873 4.480 0.001 0.000 0.288 260 M C -1.489 174.771 176.300 -0.067 0.000 1.097 260 M CA -0.560 54.630 55.300 -0.182 0.000 0.928 260 M CB 0.968 33.444 32.600 -0.208 0.000 1.648 260 M HN 0.724 nan 8.290 nan 0.000 0.460 261 F N 4.816 124.774 119.950 0.013 0.000 2.969 261 F HA -0.275 4.253 4.527 0.001 0.000 0.273 261 F C 1.177 176.974 175.800 -0.005 0.000 0.986 261 F CA 1.723 59.725 58.000 0.003 0.000 0.926 261 F CB -1.785 37.217 39.000 0.004 0.000 0.887 261 F HN 0.895 nan 8.300 nan 0.000 0.816 262 R N -1.343 119.224 120.500 0.112 0.000 3.989 262 R HA -0.303 4.038 4.340 0.001 0.000 0.335 262 R C -0.062 176.270 176.300 0.053 0.000 1.223 262 R CA 1.914 58.049 56.100 0.059 0.000 0.962 262 R CB -1.563 28.764 30.300 0.044 0.000 1.393 262 R HN 0.573 nan 8.270 nan 0.000 0.554 263 K N 1.549 121.990 120.400 0.069 0.000 2.265 263 K HA 0.271 4.591 4.320 0.001 0.000 0.267 263 K C -0.074 176.545 176.600 0.031 0.000 0.994 263 K CA -0.813 55.505 56.287 0.053 0.000 0.860 263 K CB 0.793 33.337 32.500 0.074 0.000 1.099 263 K HN 0.037 nan 8.250 nan 0.000 0.448 264 L N 6.670 127.904 121.223 0.019 0.000 2.565 264 L HA 0.096 4.437 4.340 0.001 0.000 0.275 264 L C 0.399 177.272 176.870 0.006 0.000 1.137 264 L CA 0.562 55.407 54.840 0.008 0.000 0.915 264 L CB -0.608 41.453 42.059 0.004 0.000 1.232 264 L HN 0.599 nan 8.230 nan 0.000 0.473 265 L N 3.190 124.413 121.223 0.001 0.000 2.479 265 L HA 0.199 4.540 4.340 0.001 0.000 0.249 265 L C 1.616 178.480 176.870 -0.010 0.000 1.178 265 L CA -0.706 54.133 54.840 -0.001 0.000 0.811 265 L CB 0.499 42.555 42.059 -0.005 0.000 1.187 265 L HN 0.539 nan 8.230 nan 0.000 0.480 266 D N -0.380 120.014 120.400 -0.010 0.000 2.162 266 D HA -0.068 4.572 4.640 0.001 0.000 0.205 266 D C 0.269 176.551 176.300 -0.029 0.000 0.964 266 D CA 0.744 54.733 54.000 -0.017 0.000 0.847 266 D CB 0.229 41.022 40.800 -0.011 0.000 0.988 266 D HN 0.743 nan 8.370 nan 0.000 0.480 267 E N -1.254 118.929 120.200 -0.029 0.000 2.454 267 E HA 0.575 4.926 4.350 0.001 0.000 0.279 267 E C -1.011 175.570 176.600 -0.032 0.000 1.029 267 E CA -1.324 55.049 56.400 -0.044 0.000 0.831 267 E CB 1.449 31.125 29.700 -0.039 0.000 1.405 267 E HN 0.026 nan 8.360 nan 0.000 0.463 268 G N 1.075 109.852 108.800 -0.038 0.000 2.574 268 G HA2 0.515 4.475 3.960 0.001 0.000 0.306 268 G HA3 0.515 4.475 3.960 0.001 0.000 0.306 268 G C -0.751 174.173 174.900 0.039 0.000 1.334 268 G CA -0.685 44.416 45.100 0.002 0.000 0.954 268 G HN 0.283 nan 8.290 nan 0.000 0.500 269 R N 1.320 121.845 120.500 0.042 0.000 2.596 269 R HA 0.661 5.001 4.340 0.001 0.000 0.267 269 R C 0.528 176.868 176.300 0.066 0.000 1.026 269 R CA -0.631 55.501 56.100 0.054 0.000 1.087 269 R CB 1.474 31.793 30.300 0.031 0.000 1.132 269 R HN 0.603 nan 8.270 nan 0.000 0.531 270 A N 0.671 123.530 122.820 0.065 0.000 2.565 270 A HA 0.345 4.666 4.320 0.001 0.000 0.237 270 A C 1.277 178.878 177.584 0.028 0.000 1.053 270 A CA 1.003 53.069 52.037 0.047 0.000 0.755 270 A CB -0.629 18.392 19.000 0.035 0.000 0.980 270 A HN 0.934 nan 8.150 nan 0.000 0.506 271 G N 1.507 110.319 108.800 0.019 0.000 2.241 271 G HA2 -0.212 3.749 3.960 0.001 0.000 0.244 271 G HA3 -0.212 3.749 3.960 0.001 0.000 0.244 271 G C 0.098 175.004 174.900 0.010 0.000 0.998 271 G CA 0.488 45.594 45.100 0.011 0.000 0.621 271 G HN 0.895 nan 8.290 nan 0.000 0.519 272 E N 0.581 120.789 120.200 0.014 0.000 2.349 272 E HA 0.461 4.812 4.350 0.001 0.000 0.265 272 E C -0.402 176.187 176.600 -0.017 0.000 1.064 272 E CA -0.488 55.911 56.400 -0.002 0.000 0.886 272 E CB 0.466 30.166 29.700 -0.000 0.000 1.036 272 E HN 0.388 nan 8.360 nan 0.000 0.413 273 N N 1.021 119.685 118.700 -0.060 0.000 2.422 273 N HA 0.290 5.031 4.740 0.001 0.000 0.266 273 N C -0.851 174.581 175.510 -0.130 0.000 1.007 273 N CA -0.377 52.624 53.050 -0.083 0.000 0.941 273 N CB 1.370 39.794 38.487 -0.106 0.000 1.115 273 N HN 0.279 nan 8.380 nan 0.000 0.492 274 V N -1.229 118.646 119.914 -0.066 0.000 3.165 274 V HA 0.961 5.081 4.120 0.001 0.000 0.309 274 V C -0.094 175.995 176.094 -0.008 0.000 1.267 274 V CA -1.086 61.179 62.300 -0.059 0.000 1.067 274 V CB 1.564 33.374 31.823 -0.020 0.000 1.082 274 V HN 0.520 nan 8.190 nan 0.000 0.451 275 G N -0.011 108.793 108.800 0.006 0.000 2.626 275 G HA2 0.622 4.583 3.960 0.001 0.000 0.304 275 G HA3 0.622 4.583 3.960 0.001 0.000 0.304 275 G C -1.270 173.654 174.900 0.041 0.000 1.385 275 G CA -0.614 44.517 45.100 0.052 0.000 0.957 275 G HN 1.024 nan 8.290 nan 0.000 0.504 276 V N 3.773 123.718 119.914 0.051 0.000 2.370 276 V HA 0.333 4.454 4.120 0.001 0.000 0.279 276 V C 0.404 176.517 176.094 0.030 0.000 1.029 276 V CA -0.649 61.670 62.300 0.032 0.000 0.870 276 V CB 1.294 33.147 31.823 0.050 0.000 0.984 276 V HN 0.635 nan 8.190 nan 0.000 0.451 277 L N 6.053 127.285 121.223 0.015 0.000 2.331 277 L HA 0.445 4.786 4.340 0.001 0.000 0.278 277 L C -0.401 176.472 176.870 0.005 0.000 1.106 277 L CA 0.074 54.924 54.840 0.017 0.000 0.824 277 L CB 0.864 42.929 42.059 0.010 0.000 1.142 277 L HN 0.491 nan 8.230 nan 0.000 0.443 278 L N 4.315 125.545 121.223 0.010 0.000 2.334 278 L HA 0.555 4.896 4.340 0.001 0.000 0.273 278 L C -0.057 176.813 176.870 0.001 0.000 1.013 278 L CA -0.747 54.095 54.840 0.003 0.000 0.816 278 L CB 1.886 43.949 42.059 0.006 0.000 1.278 278 L HN 0.545 nan 8.230 nan 0.000 0.431 279 R N 0.983 121.480 120.500 -0.005 0.000 2.254 279 R HA 0.374 4.715 4.340 0.001 0.000 0.318 279 R C 0.784 177.081 176.300 -0.005 0.000 1.031 279 R CA 0.537 56.634 56.100 -0.005 0.000 0.905 279 R CB 0.931 31.225 30.300 -0.009 0.000 1.050 279 R HN 0.866 nan 8.270 nan 0.000 0.456 280 G N 4.565 113.363 108.800 -0.003 0.000 2.233 280 G HA2 -0.245 3.716 3.960 0.001 0.000 0.270 280 G HA3 -0.245 3.716 3.960 0.001 0.000 0.270 280 G C 0.020 174.918 174.900 -0.004 0.000 1.011 280 G CA 0.246 45.343 45.100 -0.004 0.000 0.762 280 G HN 0.486 nan 8.290 nan 0.000 0.511 281 I N 0.206 120.774 120.570 -0.003 0.000 2.339 281 I HA 0.358 4.528 4.170 0.001 0.000 0.290 281 I C 0.528 176.643 176.117 -0.003 0.000 0.994 281 I CA -1.173 60.124 61.300 -0.005 0.000 1.191 281 I CB 1.524 39.520 38.000 -0.006 0.000 1.343 281 I HN -0.066 nan 8.210 nan 0.000 0.458 282 K N 4.686 125.082 120.400 -0.006 0.000 2.219 282 K HA 0.194 4.514 4.320 0.001 0.000 0.258 282 K C 1.287 177.883 176.600 -0.006 0.000 1.008 282 K CA -0.346 55.938 56.287 -0.004 0.000 0.928 282 K CB 0.672 33.169 32.500 -0.006 0.000 0.983 282 K HN 0.283 nan 8.250 nan 0.000 0.484 283 R N 2.025 122.525 120.500 -0.000 0.000 2.094 283 R HA -0.164 4.177 4.340 0.001 0.000 0.239 283 R C 0.995 177.282 176.300 -0.021 0.000 1.137 283 R CA 1.931 58.029 56.100 -0.004 0.000 0.943 283 R CB -0.124 30.183 30.300 0.011 0.000 0.850 283 R HN 0.824 nan 8.270 nan 0.000 0.433 284 E N 0.403 120.593 120.200 -0.018 0.000 2.512 284 E HA -0.102 4.249 4.350 0.001 0.000 0.195 284 E C 0.489 177.070 176.600 -0.032 0.000 1.083 284 E CA 0.562 56.947 56.400 -0.025 0.000 0.873 284 E CB -0.087 29.602 29.700 -0.019 0.000 0.897 284 E HN 0.495 nan 8.360 nan 0.000 0.514 285 E N 0.563 120.745 120.200 -0.030 0.000 2.479 285 E HA 0.250 4.601 4.350 0.001 0.000 0.193 285 E C 0.362 176.937 176.600 -0.042 0.000 1.049 285 E CA 0.103 56.482 56.400 -0.034 0.000 0.870 285 E CB 0.478 30.162 29.700 -0.026 0.000 0.944 285 E HN 0.298 nan 8.360 nan 0.000 0.492 286 I N 0.987 121.528 120.570 -0.048 0.000 2.865 286 I HA 0.286 4.457 4.170 0.001 0.000 0.302 286 I C -0.487 175.588 176.117 -0.070 0.000 1.140 286 I CA -0.920 60.346 61.300 -0.057 0.000 1.021 286 I CB 2.377 40.345 38.000 -0.053 0.000 1.233 286 I HN -0.068 nan 8.210 nan 0.000 0.427 287 E N 3.425 123.579 120.200 -0.076 0.000 2.430 287 E HA 0.406 4.757 4.350 0.001 0.000 0.279 287 E C -1.113 175.439 176.600 -0.079 0.000 1.003 287 E CA -1.169 55.182 56.400 -0.080 0.000 0.801 287 E CB 1.846 31.502 29.700 -0.074 0.000 1.313 287 E HN 0.530 nan 8.360 nan 0.000 0.459 288 R N 0.084 120.539 120.500 -0.075 0.000 2.585 288 R HA 0.267 4.608 4.340 0.001 0.000 0.275 288 R C 0.791 177.057 176.300 -0.057 0.000 1.018 288 R CA 1.811 57.872 56.100 -0.065 0.000 1.072 288 R CB -0.095 30.177 30.300 -0.047 0.000 0.953 288 R HN 0.938 nan 8.270 nan 0.000 0.419 289 G N 1.884 110.646 108.800 -0.063 0.000 2.254 289 G HA2 -0.268 3.693 3.960 0.001 0.000 0.225 289 G HA3 -0.268 3.693 3.960 0.001 0.000 0.225 289 G C 0.097 174.957 174.900 -0.066 0.000 1.003 289 G CA 0.070 45.131 45.100 -0.064 0.000 0.622 289 G HN 0.620 nan 8.290 nan 0.000 0.507 290 Q N -0.229 119.529 119.800 -0.071 0.000 2.500 290 Q HA 0.609 4.949 4.340 0.001 0.000 0.215 290 Q C -0.352 175.603 176.000 -0.075 0.000 1.062 290 Q CA 0.076 55.833 55.803 -0.076 0.000 0.996 290 Q CB 1.869 30.562 28.738 -0.074 0.000 1.239 290 Q HN 0.254 nan 8.270 nan 0.000 0.578 291 V N 1.245 121.113 119.914 -0.078 0.000 2.876 291 V HA 0.408 4.529 4.120 0.001 0.000 0.312 291 V C -0.830 175.223 176.094 -0.069 0.000 1.085 291 V CA -0.686 61.560 62.300 -0.088 0.000 0.945 291 V CB 2.094 33.852 31.823 -0.108 0.000 1.017 291 V HN 0.533 nan 8.190 nan 0.000 0.428 292 L N 3.928 125.105 121.223 -0.077 0.000 2.322 292 L HA 0.936 5.276 4.340 0.001 0.000 0.279 292 L C -0.012 176.802 176.870 -0.093 0.000 1.036 292 L CA -0.283 54.572 54.840 0.025 0.000 0.807 292 L CB 1.711 43.887 42.059 0.195 0.000 1.226 292 L HN 0.830 nan 8.230 nan 0.000 0.433 293 A N 2.829 125.710 122.820 0.101 0.000 2.597 293 A HA 0.349 4.670 4.320 0.001 0.000 0.292 293 A C -1.171 176.559 177.584 0.243 0.000 1.057 293 A CA -0.788 51.287 52.037 0.063 0.000 0.674 293 A CB 1.351 20.308 19.000 -0.072 0.000 1.278 293 A HN 0.638 nan 8.150 nan 0.000 0.416 294 K N 1.121 121.681 120.400 0.268 0.000 2.484 294 K HA 0.272 4.593 4.320 0.001 0.000 0.280 294 K C -2.398 174.252 176.600 0.083 0.000 1.013 294 K CA -0.918 55.473 56.287 0.174 0.000 1.029 294 K CB 0.096 32.681 32.500 0.141 0.000 0.902 294 K HN 0.338 nan 8.250 nan 0.000 0.481 295 P HA -0.054 nan 4.420 nan 0.000 0.261 295 P C -0.014 177.296 177.300 0.016 0.000 1.173 295 P CA 1.065 64.181 63.100 0.027 0.000 0.760 295 P CB 0.588 32.299 31.700 0.017 0.000 0.783 296 G N 2.445 111.247 108.800 0.003 0.000 2.160 296 G HA2 -0.258 3.703 3.960 0.001 0.000 0.251 296 G HA3 -0.258 3.703 3.960 0.001 0.000 0.251 296 G C 0.602 175.502 174.900 0.000 0.000 1.008 296 G CA 0.560 45.659 45.100 -0.002 0.000 0.724 296 G HN 0.630 nan 8.290 nan 0.000 0.514 297 T N -3.060 111.494 114.554 -0.000 0.000 3.040 297 T HA 0.654 5.005 4.350 0.001 0.000 0.266 297 T C 0.321 175.012 174.700 -0.015 0.000 1.005 297 T CA 0.637 62.736 62.100 -0.001 0.000 0.906 297 T CB 0.746 69.620 68.868 0.010 0.000 1.082 297 T HN 1.182 nan 8.240 nan 0.000 0.531 298 I N 0.177 120.729 120.570 -0.030 0.000 2.775 298 I HA 0.596 4.767 4.170 0.001 0.000 0.295 298 I C -2.018 174.052 176.117 -0.078 0.000 1.287 298 I CA -0.843 60.428 61.300 -0.049 0.000 1.029 298 I CB 2.254 40.214 38.000 -0.067 0.000 1.282 298 I HN -0.055 nan 8.210 nan 0.000 0.426 299 K N 7.234 127.569 120.400 -0.109 0.000 2.375 299 K HA 0.630 4.951 4.320 0.001 0.000 0.249 299 K C -2.743 173.629 176.600 -0.380 0.000 0.942 299 K CA -1.684 54.464 56.287 -0.232 0.000 0.806 299 K CB 2.276 34.621 32.500 -0.257 0.000 1.227 299 K HN 0.333 nan 8.250 nan 0.000 0.430 300 P HA 0.230 nan 4.420 nan 0.000 0.284 300 P C -1.202 175.740 177.300 -0.598 0.000 1.253 300 P CA -0.189 62.683 63.100 -0.379 0.000 0.800 300 P CB 1.120 32.676 31.700 -0.240 0.000 0.961 301 H N 0.619 119.588 119.070 -0.168 0.000 2.980 301 H HA 0.317 4.873 4.556 0.001 0.000 0.367 301 H C 0.429 175.679 175.328 -0.130 0.000 1.206 301 H CA -0.327 55.640 56.048 -0.135 0.000 1.126 301 H CB 2.232 31.908 29.762 -0.144 0.000 1.838 301 H HN 0.267 nan 8.280 nan 0.000 0.552 302 T N 0.455 115.064 114.554 0.093 0.000 3.056 302 T HA 0.096 4.447 4.350 0.001 0.000 0.243 302 T C 0.589 175.340 174.700 0.086 0.000 0.995 302 T CA 0.290 62.417 62.100 0.045 0.000 1.091 302 T CB 0.927 69.808 68.868 0.021 0.000 0.990 302 T HN 0.217 nan 8.240 nan 0.000 0.464 303 K N 1.052 121.509 120.400 0.095 0.000 2.221 303 K HA 0.580 4.901 4.320 0.001 0.000 0.258 303 K C -1.560 175.123 176.600 0.139 0.000 0.944 303 K CA -0.815 55.489 56.287 0.029 0.000 0.823 303 K CB 1.103 33.585 32.500 -0.031 0.000 1.113 303 K HN 0.203 nan 8.250 nan 0.000 0.431 304 F N -0.615 119.255 119.950 -0.134 0.000 2.779 304 F HA 0.466 4.993 4.527 0.001 0.000 0.316 304 F C -1.330 174.435 175.800 -0.059 0.000 1.164 304 F CA -1.169 56.765 58.000 -0.110 0.000 0.924 304 F CB 0.973 39.899 39.000 -0.123 0.000 1.348 304 F HN 0.371 nan 8.300 nan 0.000 0.467 305 E N 0.969 121.249 120.200 0.132 0.000 2.195 305 E HA 0.654 5.005 4.350 0.001 0.000 0.271 305 E C -1.240 175.511 176.600 0.252 0.000 0.923 305 E CA -0.974 55.470 56.400 0.074 0.000 0.790 305 E CB 2.225 31.970 29.700 0.073 0.000 1.155 305 E HN 0.788 nan 8.360 nan 0.000 0.402 306 S N 1.784 117.619 115.700 0.225 0.000 2.618 306 S HA 0.444 4.915 4.470 0.001 0.000 0.277 306 S C -0.778 173.976 174.600 0.256 0.000 1.138 306 S CA -1.129 57.291 58.200 0.366 0.000 0.844 306 S CB 1.962 65.567 63.200 0.675 0.000 1.127 306 S HN 0.314 nan 8.310 nan 0.000 0.474 307 E N 0.889 121.227 120.200 0.230 0.000 2.134 307 E HA 0.624 4.975 4.350 0.001 0.000 0.278 307 E C -1.159 175.529 176.600 0.145 0.000 0.959 307 E CA -0.514 55.980 56.400 0.157 0.000 0.783 307 E CB 1.873 31.638 29.700 0.108 0.000 1.095 307 E HN 0.496 nan 8.360 nan 0.000 0.399 308 V N 3.688 123.699 119.914 0.162 0.000 2.823 308 V HA 0.336 4.457 4.120 0.001 0.000 0.312 308 V C -1.255 174.946 176.094 0.178 0.000 1.072 308 V CA -0.916 61.478 62.300 0.156 0.000 0.937 308 V CB 2.014 33.982 31.823 0.243 0.000 1.013 308 V HN 0.580 nan 8.190 nan 0.000 0.430 309 Y N 4.773 125.085 120.300 0.020 0.000 2.361 309 Y HA 0.648 5.199 4.550 0.001 0.000 0.337 309 Y C -0.815 175.105 175.900 0.034 0.000 0.965 309 Y CA -1.198 56.911 58.100 0.015 0.000 1.091 309 Y CB 1.353 39.798 38.460 -0.024 0.000 1.182 309 Y HN 0.425 nan 8.280 nan 0.000 0.450 310 I N 7.751 127.911 120.570 -0.683 0.000 2.321 310 I HA 0.234 4.405 4.170 0.001 0.000 0.291 310 I C 0.065 175.687 176.117 -0.824 0.000 0.998 310 I CA -0.616 60.393 61.300 -0.484 0.000 1.227 310 I CB 0.969 38.887 38.000 -0.137 0.000 1.368 310 I HN 0.643 nan 8.210 nan 0.000 0.466 311 L N 5.009 125.944 121.223 -0.480 0.000 2.482 311 L HA 0.077 4.417 4.340 0.001 0.000 0.273 311 L C 1.118 177.900 176.870 -0.146 0.000 1.228 311 L CA 0.047 54.733 54.840 -0.256 0.000 0.827 311 L CB 0.187 42.216 42.059 -0.051 0.000 1.099 311 L HN 0.725 nan 8.230 nan 0.000 0.494 312 S N 0.287 115.971 115.700 -0.027 0.000 2.713 312 S HA 0.205 4.675 4.470 0.001 0.000 0.283 312 S C 0.738 175.354 174.600 0.027 0.000 1.161 312 S CA -0.826 57.373 58.200 -0.001 0.000 0.999 312 S CB 1.729 64.949 63.200 0.033 0.000 1.039 312 S HN 0.684 nan 8.310 nan 0.000 0.548 313 K N 0.288 120.705 120.400 0.028 0.000 2.074 313 K HA -0.198 4.123 4.320 0.001 0.000 0.209 313 K C 0.602 177.217 176.600 0.026 0.000 1.048 313 K CA 2.079 58.394 56.287 0.047 0.000 0.926 313 K CB -0.559 31.886 32.500 -0.091 0.000 0.713 313 K HN 0.644 nan 8.250 nan 0.000 0.444 314 D N 0.648 121.052 120.400 0.005 0.000 2.371 314 D HA -0.075 4.566 4.640 0.001 0.000 0.221 314 D C 0.660 176.976 176.300 0.027 0.000 0.986 314 D CA 0.866 54.871 54.000 0.009 0.000 0.899 314 D CB 0.174 40.976 40.800 0.003 0.000 0.902 314 D HN 0.445 nan 8.370 nan 0.000 0.530 315 E N -0.814 119.409 120.200 0.040 0.000 2.481 315 E HA 0.289 4.639 4.350 0.001 0.000 0.198 315 E C 1.019 177.642 176.600 0.038 0.000 1.027 315 E CA 0.122 56.549 56.400 0.046 0.000 0.900 315 E CB 0.772 30.517 29.700 0.075 0.000 0.993 315 E HN 0.184 nan 8.360 nan 0.000 0.482 316 G N 1.047 109.873 108.800 0.044 0.000 2.141 316 G HA2 -0.221 3.740 3.960 0.001 0.000 0.231 316 G HA3 -0.221 3.740 3.960 0.001 0.000 0.231 316 G C 0.475 175.397 174.900 0.036 0.000 0.984 316 G CA -0.239 44.887 45.100 0.043 0.000 0.660 316 G HN 0.472 nan 8.290 nan 0.000 0.525 317 G N -0.652 108.174 108.800 0.043 0.000 2.641 317 G HA2 0.634 4.595 3.960 0.001 0.000 0.239 317 G HA3 0.634 4.595 3.960 0.001 0.000 0.239 317 G C 0.398 175.328 174.900 0.051 0.000 1.402 317 G CA -0.694 44.417 45.100 0.018 0.000 1.046 317 G HN 0.510 nan 8.290 nan 0.000 0.565 318 R N -1.144 119.367 120.500 0.019 0.000 2.811 318 R HA 0.131 4.471 4.340 0.001 0.000 0.265 318 R C 0.778 177.173 176.300 0.158 0.000 1.026 318 R CA 0.286 56.399 56.100 0.022 0.000 1.142 318 R CB 0.331 30.634 30.300 0.006 0.000 1.027 318 R HN 0.703 nan 8.270 nan 0.000 0.465 319 H N -1.022 118.038 119.070 -0.016 0.000 2.729 319 H HA 0.053 4.610 4.556 0.001 0.000 0.263 319 H C 0.318 175.634 175.328 -0.020 0.000 0.961 319 H CA 0.321 56.360 56.048 -0.015 0.000 1.217 319 H CB 0.927 30.687 29.762 -0.004 0.000 1.447 319 H HN 0.611 nan 8.280 nan 0.000 0.496 320 T N -0.347 114.269 114.554 0.103 0.000 2.930 320 T HA 0.366 4.716 4.350 0.001 0.000 0.290 320 T C -2.834 171.841 174.700 -0.042 0.000 1.052 320 T CA -2.286 59.840 62.100 0.043 0.000 1.017 320 T CB 2.736 71.649 68.868 0.074 0.000 1.137 320 T HN -0.126 nan 8.240 nan 0.000 0.511 321 P HA 0.405 nan 4.420 nan 0.000 0.281 321 P C -1.012 175.977 177.300 -0.518 0.000 1.249 321 P CA -0.578 62.289 63.100 -0.387 0.000 0.810 321 P CB 0.500 31.920 31.700 -0.467 0.000 1.008 322 F N 0.064 119.561 119.950 -0.755 0.000 2.523 322 F HA 0.744 5.272 4.527 0.001 0.000 0.329 322 F C -0.676 174.549 175.800 -0.958 0.000 1.061 322 F CA -1.149 56.404 58.000 -0.744 0.000 0.967 322 F CB 0.591 39.033 39.000 -0.929 0.000 1.218 322 F HN 0.101 nan 8.300 nan 0.000 0.480 323 F N 0.002 120.057 119.950 0.175 0.000 2.846 323 F HA 0.438 4.965 4.527 0.001 0.000 0.388 323 F C 1.662 177.602 175.800 0.234 0.000 1.259 323 F CA -0.872 57.196 58.000 0.113 0.000 1.118 323 F CB 0.735 39.770 39.000 0.058 0.000 1.512 323 F HN 0.565 nan 8.300 nan 0.000 0.502 324 K N 0.184 120.798 120.400 0.357 0.000 2.113 324 K HA -0.092 4.229 4.320 0.001 0.000 0.208 324 K C 1.376 178.121 176.600 0.243 0.000 1.047 324 K CA 1.833 58.272 56.287 0.252 0.000 0.928 324 K CB -0.956 31.648 32.500 0.174 0.000 0.716 324 K HN 0.726 nan 8.250 nan 0.000 0.446 325 G N 0.355 109.304 108.800 0.249 0.000 3.262 325 G HA2 -0.083 3.878 3.960 0.001 0.000 0.228 325 G HA3 -0.083 3.878 3.960 0.001 0.000 0.228 325 G C -0.614 174.421 174.900 0.225 0.000 1.197 325 G CA -0.535 44.682 45.100 0.195 0.000 0.819 325 G HN 0.336 nan 8.290 nan 0.000 0.531 326 Y N 2.585 122.955 120.300 0.118 0.000 2.544 326 Y HA 0.295 4.846 4.550 0.001 0.000 0.330 326 Y C 0.896 176.779 175.900 -0.029 0.000 1.136 326 Y CA -1.223 56.881 58.100 0.007 0.000 1.417 326 Y CB 0.478 38.874 38.460 -0.106 0.000 1.229 326 Y HN 0.282 nan 8.280 nan 0.000 0.532 327 R N 7.874 128.178 120.500 -0.327 0.000 2.629 327 R HA 0.426 4.766 4.340 0.001 0.000 0.275 327 R C -3.182 172.826 176.300 -0.487 0.000 1.719 327 R CA -1.612 54.307 56.100 -0.301 0.000 1.472 327 R CB 0.844 31.082 30.300 -0.104 0.000 1.237 327 R HN 0.382 nan 8.270 nan 0.000 0.589 328 P HA 0.232 nan 4.420 nan 0.000 0.302 328 P C -0.943 176.056 177.300 -0.502 0.000 1.307 328 P CA -0.515 62.130 63.100 -0.758 0.000 0.754 328 P CB 0.881 31.936 31.700 -1.075 0.000 1.298 329 Q N -1.152 118.379 119.800 -0.448 0.000 2.274 329 Q HA 0.525 4.866 4.340 0.001 0.000 0.260 329 Q C -1.142 174.611 176.000 -0.411 0.000 0.974 329 Q CA -0.107 55.549 55.803 -0.246 0.000 0.876 329 Q CB 0.908 29.595 28.738 -0.086 0.000 1.297 329 Q HN 0.271 nan 8.270 nan 0.000 0.446 330 F N 1.627 121.579 119.950 0.003 0.000 2.361 330 F HA 0.252 4.780 4.527 0.001 0.000 0.364 330 F C -0.574 175.180 175.800 -0.076 0.000 1.117 330 F CA -0.837 57.135 58.000 -0.047 0.000 1.071 330 F CB 0.626 39.587 39.000 -0.065 0.000 1.188 330 F HN 0.466 nan 8.300 nan 0.000 0.464 331 Y N 4.521 124.764 120.300 -0.095 0.000 2.585 331 Y HA 0.334 4.884 4.550 0.001 0.000 0.354 331 Y C -1.065 174.736 175.900 -0.164 0.000 1.024 331 Y CA -0.688 57.376 58.100 -0.061 0.000 1.321 331 Y CB -0.116 38.318 38.460 -0.043 0.000 1.151 331 Y HN 0.384 nan 8.280 nan 0.000 0.525 332 F N 6.642 126.489 119.950 -0.172 0.000 2.334 332 F HA 0.405 4.933 4.527 0.001 0.000 0.367 332 F C 0.950 176.595 175.800 -0.258 0.000 1.115 332 F CA -0.604 57.328 58.000 -0.112 0.000 1.116 332 F CB 0.892 39.828 39.000 -0.107 0.000 1.230 332 F HN 0.651 nan 8.300 nan 0.000 0.484 333 R N -0.013 120.490 120.500 0.004 0.000 1.256 333 R HA -0.302 4.039 4.340 0.001 0.000 0.029 333 R C 1.282 177.515 176.300 -0.112 0.000 0.960 333 R CA 2.491 58.587 56.100 -0.008 0.000 1.873 333 R CB -1.552 28.752 30.300 0.006 0.000 0.236 333 R HN 0.671 nan 8.270 nan 0.000 0.696 334 T N -3.462 110.925 114.554 -0.278 0.000 3.144 334 T HA 0.322 4.673 4.350 0.001 0.000 0.290 334 T C 0.062 174.529 174.700 -0.389 0.000 0.966 334 T CA 0.471 62.437 62.100 -0.223 0.000 0.907 334 T CB 1.272 70.105 68.868 -0.058 0.000 1.152 334 T HN 0.345 nan 8.240 nan 0.000 0.532 335 T N 0.762 114.881 114.554 -0.724 0.000 2.840 335 T HA 0.438 4.788 4.350 0.001 0.000 0.317 335 T C -2.182 172.317 174.700 -0.334 0.000 1.401 335 T CA -0.489 61.377 62.100 -0.391 0.000 1.028 335 T CB 1.921 70.730 68.868 -0.097 0.000 1.317 335 T HN 0.036 nan 8.240 nan 0.000 0.495 336 D N 1.274 121.673 120.400 -0.003 0.000 2.255 336 D HA 0.568 5.209 4.640 0.001 0.000 0.249 336 D C -0.639 175.723 176.300 0.103 0.000 1.078 336 D CA 0.076 54.143 54.000 0.113 0.000 0.896 336 D CB 1.585 42.473 40.800 0.147 0.000 1.194 336 D HN 0.276 nan 8.370 nan 0.000 0.429 337 V N 2.161 122.159 119.914 0.140 0.000 2.488 337 V HA 0.217 4.337 4.120 0.001 0.000 0.293 337 V C 0.349 176.510 176.094 0.112 0.000 1.027 337 V CA -0.896 61.428 62.300 0.040 0.000 0.862 337 V CB 1.662 33.510 31.823 0.041 0.000 1.008 337 V HN 0.468 nan 8.190 nan 0.000 0.428 338 T N 3.500 118.057 114.554 0.005 0.000 2.932 338 T HA 0.531 4.881 4.350 0.001 0.000 0.312 338 T C 0.564 175.322 174.700 0.097 0.000 1.071 338 T CA 0.652 62.778 62.100 0.043 0.000 1.128 338 T CB 1.022 69.874 68.868 -0.026 0.000 0.984 338 T HN 1.129 nan 8.240 nan 0.000 0.549 339 G N 0.974 109.893 108.800 0.197 0.000 2.677 339 G HA2 0.616 4.577 3.960 0.001 0.000 0.291 339 G HA3 0.616 4.577 3.960 0.001 0.000 0.291 339 G C -0.654 174.313 174.900 0.112 0.000 1.435 339 G CA -0.867 44.305 45.100 0.119 0.000 0.826 339 G HN 0.811 nan 8.290 nan 0.000 0.491 340 T N -1.508 113.052 114.554 0.010 0.000 2.944 340 T HA 0.752 5.103 4.350 0.001 0.000 0.284 340 T C 0.292 174.998 174.700 0.009 0.000 1.010 340 T CA -0.622 61.490 62.100 0.019 0.000 1.025 340 T CB 1.612 70.482 68.868 0.004 0.000 1.079 340 T HN 1.097 nan 8.240 nan 0.000 0.516 341 I N -1.899 118.709 120.570 0.063 0.000 2.846 341 I HA 0.857 5.028 4.170 0.001 0.000 0.307 341 I C -1.100 175.057 176.117 0.067 0.000 1.053 341 I CA -1.312 60.032 61.300 0.073 0.000 1.050 341 I CB 2.233 40.352 38.000 0.200 0.000 1.239 341 I HN 0.554 nan 8.210 nan 0.000 0.439 342 E N 4.292 124.517 120.200 0.041 0.000 2.218 342 E HA 0.589 4.939 4.350 0.001 0.000 0.263 342 E C -1.337 175.300 176.600 0.061 0.000 0.879 342 E CA -0.491 55.933 56.400 0.040 0.000 0.762 342 E CB 2.495 32.194 29.700 -0.001 0.000 1.166 342 E HN 0.496 nan 8.360 nan 0.000 0.415 343 L N 3.629 124.899 121.223 0.077 0.000 2.375 343 L HA 0.550 4.891 4.340 0.001 0.000 0.268 343 L C -2.002 174.898 176.870 0.049 0.000 1.058 343 L CA -2.199 52.686 54.840 0.074 0.000 0.803 343 L CB 0.589 42.695 42.059 0.078 0.000 1.212 343 L HN 0.313 nan 8.230 nan 0.000 0.451 344 P HA -0.007 nan 4.420 nan 0.000 0.269 344 P C -0.801 176.515 177.300 0.028 0.000 1.217 344 P CA -0.274 62.846 63.100 0.034 0.000 0.783 344 P CB 0.334 32.054 31.700 0.034 0.000 0.898 345 E N 0.856 121.070 120.200 0.024 0.000 2.413 345 E HA 0.207 4.558 4.350 0.001 0.000 0.263 345 E C 1.558 178.169 176.600 0.018 0.000 1.015 345 E CA 1.222 57.634 56.400 0.021 0.000 0.916 345 E CB -0.050 29.660 29.700 0.018 0.000 0.947 345 E HN 0.764 nan 8.360 nan 0.000 0.440 346 G N 1.786 110.598 108.800 0.018 0.000 2.284 346 G HA2 -0.294 3.667 3.960 0.001 0.000 0.247 346 G HA3 -0.294 3.667 3.960 0.001 0.000 0.247 346 G C 0.272 175.180 174.900 0.013 0.000 1.012 346 G CA 0.192 45.301 45.100 0.015 0.000 0.618 346 G HN 0.412 nan 8.290 nan 0.000 0.521 347 V N 1.357 121.278 119.914 0.013 0.000 2.408 347 V HA 0.482 4.603 4.120 0.001 0.000 0.267 347 V C 0.901 177.003 176.094 0.014 0.000 1.047 347 V CA 0.616 62.917 62.300 0.002 0.000 0.937 347 V CB 1.280 33.100 31.823 -0.005 0.000 0.999 347 V HN 0.477 nan 8.190 nan 0.000 0.472 348 E N 3.869 124.079 120.200 0.017 0.000 2.572 348 E HA 0.330 4.681 4.350 0.001 0.000 0.220 348 E C 0.069 176.714 176.600 0.076 0.000 0.945 348 E CA -0.013 56.429 56.400 0.069 0.000 1.070 348 E CB 1.242 31.000 29.700 0.097 0.000 1.090 348 E HN 0.685 nan 8.360 nan 0.000 0.506 349 M N 1.331 120.878 119.600 -0.089 0.000 2.371 349 M HA 0.343 4.824 4.480 0.001 0.000 0.287 349 M C -2.118 173.885 176.300 -0.496 0.000 1.149 349 M CA -0.708 54.377 55.300 -0.359 0.000 0.929 349 M CB 2.262 34.743 32.600 -0.198 0.000 1.683 349 M HN -0.265 nan 8.290 nan 0.000 0.470 350 V N 5.217 124.602 119.914 -0.881 0.000 2.444 350 V HA 0.514 4.635 4.120 0.001 0.000 0.294 350 V C -0.353 175.248 176.094 -0.822 0.000 1.022 350 V CA -0.511 61.253 62.300 -0.892 0.000 0.850 350 V CB 1.764 32.766 31.823 -1.368 0.000 0.992 350 V HN 0.970 nan 8.190 nan 0.000 0.426 351 M N 5.613 124.937 119.600 -0.461 0.000 2.444 351 M HA 0.487 4.968 4.480 0.001 0.000 0.319 351 M C -2.544 173.618 176.300 -0.231 0.000 1.183 351 M CA -1.768 53.346 55.300 -0.310 0.000 1.032 351 M CB 1.884 34.368 32.600 -0.192 0.000 1.569 351 M HN 0.331 nan 8.290 nan 0.000 0.468 352 P HA 0.112 nan 4.420 nan 0.000 0.268 352 P C 0.395 177.624 177.300 -0.118 0.000 1.204 352 P CA 0.846 63.872 63.100 -0.123 0.000 0.768 352 P CB 0.529 32.195 31.700 -0.056 0.000 0.842 353 G N 1.674 110.363 108.800 -0.186 0.000 2.195 353 G HA2 -0.164 3.796 3.960 0.001 0.000 0.224 353 G HA3 -0.164 3.796 3.960 0.001 0.000 0.224 353 G C -0.093 174.825 174.900 0.031 0.000 0.990 353 G CA -0.405 44.664 45.100 -0.053 0.000 0.639 353 G HN 0.480 nan 8.290 nan 0.000 0.514 354 D N 0.922 121.259 120.400 -0.104 0.000 2.304 354 D HA 0.518 5.158 4.640 0.001 0.000 0.247 354 D C 0.205 176.549 176.300 0.074 0.000 1.089 354 D CA -0.199 53.792 54.000 -0.014 0.000 0.910 354 D CB 0.637 41.376 40.800 -0.101 0.000 1.199 354 D HN 0.123 nan 8.370 nan 0.000 0.426 355 N N 0.887 119.686 118.700 0.165 0.000 2.430 355 N HA 0.632 5.373 4.740 0.001 0.000 0.292 355 N C -0.649 174.931 175.510 0.117 0.000 1.051 355 N CA -0.416 52.759 53.050 0.209 0.000 0.917 355 N CB 1.670 40.271 38.487 0.190 0.000 1.164 355 N HN 0.411 nan 8.380 nan 0.000 0.484 356 I N 0.049 120.693 120.570 0.124 0.000 2.785 356 I HA 0.257 4.427 4.170 0.001 0.000 0.293 356 I C -1.291 174.904 176.117 0.130 0.000 1.446 356 I CA -0.726 60.636 61.300 0.102 0.000 1.028 356 I CB 1.668 39.710 38.000 0.071 0.000 1.349 356 I HN 0.247 nan 8.210 nan 0.000 0.438 357 K N 7.804 128.271 120.400 0.113 0.000 2.143 357 K HA 0.734 5.055 4.320 0.001 0.000 0.272 357 K C -0.919 175.747 176.600 0.111 0.000 1.001 357 K CA -0.514 55.844 56.287 0.118 0.000 0.915 357 K CB 1.551 34.110 32.500 0.098 0.000 1.047 357 K HN 0.603 nan 8.250 nan 0.000 0.458 358 M N -1.153 118.515 119.600 0.112 0.000 2.465 358 M HA 0.353 4.834 4.480 0.001 0.000 0.284 358 M C -1.363 174.926 176.300 -0.018 0.000 1.212 358 M CA -1.189 54.156 55.300 0.076 0.000 0.910 358 M CB 1.682 34.366 32.600 0.140 0.000 1.725 358 M HN 0.084 nan 8.290 nan 0.000 0.477 359 V N 2.995 122.868 119.914 -0.069 0.000 2.334 359 V HA 0.407 4.527 4.120 0.001 0.000 0.267 359 V C -0.042 175.870 176.094 -0.304 0.000 1.040 359 V CA -0.601 61.590 62.300 -0.182 0.000 0.866 359 V CB 0.977 32.736 31.823 -0.107 0.000 1.019 359 V HN 0.693 nan 8.190 nan 0.000 0.468 360 V N 4.227 123.747 119.914 -0.657 0.000 2.567 360 V HA 0.463 4.584 4.120 0.001 0.000 0.289 360 V C 0.492 176.189 176.094 -0.661 0.000 1.049 360 V CA -0.212 61.600 62.300 -0.815 0.000 0.969 360 V CB 1.794 32.678 31.823 -1.565 0.000 0.995 360 V HN 0.894 nan 8.190 nan 0.000 0.471 361 T N 5.525 119.839 114.554 -0.400 0.000 2.963 361 T HA 0.488 4.839 4.350 0.001 0.000 0.328 361 T C -0.283 174.314 174.700 -0.171 0.000 1.048 361 T CA -0.354 61.611 62.100 -0.225 0.000 1.033 361 T CB 0.391 69.181 68.868 -0.130 0.000 1.010 361 T HN 0.355 nan 8.240 nan 0.000 0.469 362 L N 3.325 124.464 121.223 -0.141 0.000 2.467 362 L HA 0.353 4.693 4.340 0.001 0.000 0.270 362 L C 2.098 178.914 176.870 -0.090 0.000 1.205 362 L CA -0.439 54.340 54.840 -0.103 0.000 0.828 362 L CB 0.419 42.430 42.059 -0.080 0.000 1.101 362 L HN 0.700 nan 8.230 nan 0.000 0.479 363 I N -1.097 119.397 120.570 -0.126 0.000 3.001 363 I HA -0.003 4.167 4.170 0.001 0.000 0.268 363 I C 0.625 176.719 176.117 -0.038 0.000 1.267 363 I CA 0.527 61.772 61.300 -0.092 0.000 1.472 363 I CB -0.485 37.462 38.000 -0.089 0.000 1.089 363 I HN 0.659 nan 8.210 nan 0.000 0.468 364 H N -0.532 118.531 119.070 -0.012 0.000 3.068 364 H HA 0.472 5.028 4.556 0.001 0.000 0.342 364 H C -3.325 171.970 175.328 -0.055 0.000 1.284 364 H CA -2.038 53.991 56.048 -0.031 0.000 1.181 364 H CB 1.089 30.834 29.762 -0.028 0.000 1.898 364 H HN -0.209 nan 8.280 nan 0.000 0.540 365 P HA 0.261 nan 4.420 nan 0.000 0.272 365 P C -0.604 176.698 177.300 0.003 0.000 1.223 365 P CA -0.224 62.882 63.100 0.009 0.000 0.784 365 P CB 1.586 33.257 31.700 -0.048 0.000 0.923 366 I N 0.682 121.159 120.570 -0.154 0.000 2.752 366 I HA 0.457 4.627 4.170 0.001 0.000 0.295 366 I C -0.829 175.101 176.117 -0.311 0.000 1.219 366 I CA -1.045 60.120 61.300 -0.225 0.000 1.030 366 I CB 1.995 39.794 38.000 -0.335 0.000 1.259 366 I HN 0.441 nan 8.210 nan 0.000 0.423 367 A N 8.377 131.054 122.820 -0.239 0.000 2.548 367 A HA 0.580 4.901 4.320 0.001 0.000 0.247 367 A C -0.128 177.307 177.584 -0.248 0.000 1.067 367 A CA 0.619 52.527 52.037 -0.215 0.000 0.757 367 A CB -0.323 18.585 19.000 -0.154 0.000 0.996 367 A HN 0.906 nan 8.150 nan 0.000 0.504 368 M N 0.984 120.470 119.600 -0.190 0.000 2.833 368 M HA 0.818 5.299 4.480 0.001 0.000 0.270 368 M C -1.490 174.787 176.300 -0.039 0.000 1.209 368 M CA -0.796 54.395 55.300 -0.182 0.000 0.826 368 M CB 1.884 34.218 32.600 -0.443 0.000 1.657 368 M HN 0.525 nan 8.290 nan 0.000 0.492 369 D N -0.534 119.832 120.400 -0.058 0.000 2.653 369 D HA 0.342 4.983 4.640 0.001 0.000 0.258 369 D C -1.829 174.454 176.300 -0.027 0.000 1.252 369 D CA -0.158 53.825 54.000 -0.027 0.000 0.777 369 D CB 1.837 42.638 40.800 0.002 0.000 1.339 369 D HN 0.733 nan 8.370 nan 0.000 0.422 370 D N 0.568 120.957 120.400 -0.017 0.000 2.533 370 D HA 0.389 5.030 4.640 0.001 0.000 0.236 370 D C 1.391 177.713 176.300 0.036 0.000 1.137 370 D CA 1.948 55.958 54.000 0.016 0.000 0.867 370 D CB 0.839 41.647 40.800 0.014 0.000 1.170 370 D HN 0.763 nan 8.370 nan 0.000 0.474 371 G N 1.657 110.496 108.800 0.065 0.000 2.254 371 G HA2 -0.242 3.718 3.960 0.001 0.000 0.225 371 G HA3 -0.242 3.718 3.960 0.001 0.000 0.225 371 G C 0.349 175.299 174.900 0.083 0.000 1.003 371 G CA -0.304 44.835 45.100 0.065 0.000 0.622 371 G HN 0.520 nan 8.290 nan 0.000 0.507 372 L N 2.421 123.706 121.223 0.103 0.000 2.477 372 L HA 0.340 4.681 4.340 0.001 0.000 0.272 372 L C 1.028 178.049 176.870 0.252 0.000 1.157 372 L CA -0.151 54.781 54.840 0.153 0.000 0.889 372 L CB 0.251 42.399 42.059 0.150 0.000 1.158 372 L HN 0.285 nan 8.230 nan 0.000 0.473 373 R N 4.851 125.452 120.500 0.168 0.000 2.577 373 R HA 0.578 4.918 4.340 0.001 0.000 0.269 373 R C -0.906 175.500 176.300 0.177 0.000 1.084 373 R CA -0.181 55.966 56.100 0.078 0.000 1.163 373 R CB 1.029 31.326 30.300 -0.005 0.000 1.100 373 R HN 0.536 nan 8.270 nan 0.000 0.547 374 F N -2.270 117.650 119.950 -0.050 0.000 2.713 374 F HA 0.716 5.243 4.527 0.001 0.000 0.311 374 F C -1.567 174.182 175.800 -0.084 0.000 1.141 374 F CA -1.463 56.413 58.000 -0.207 0.000 0.939 374 F CB 1.062 39.627 39.000 -0.725 0.000 1.325 374 F HN 0.524 nan 8.300 nan 0.000 0.453 375 A N 1.512 124.407 122.820 0.126 0.000 2.340 375 A HA 0.867 5.188 4.320 0.001 0.000 0.331 375 A C -1.142 176.488 177.584 0.076 0.000 1.140 375 A CA -0.909 51.155 52.037 0.044 0.000 0.801 375 A CB 1.045 20.046 19.000 0.001 0.000 1.234 375 A HN 0.752 nan 8.150 nan 0.000 0.469 376 I N 1.769 122.319 120.570 -0.033 0.000 2.354 376 I HA 0.461 4.632 4.170 0.001 0.000 0.292 376 I C 0.179 176.185 176.117 -0.184 0.000 0.989 376 I CA -0.329 60.852 61.300 -0.199 0.000 1.188 376 I CB 1.412 39.309 38.000 -0.173 0.000 1.342 376 I HN 0.701 nan 8.210 nan 0.000 0.457 377 R N 4.987 125.345 120.500 -0.238 0.000 2.867 377 R HA 0.691 5.032 4.340 0.001 0.000 0.268 377 R C -1.207 174.981 176.300 -0.187 0.000 1.014 377 R CA -1.065 54.936 56.100 -0.166 0.000 0.946 377 R CB 2.473 32.703 30.300 -0.117 0.000 1.208 377 R HN 0.532 nan 8.270 nan 0.000 0.477 378 E N -0.163 119.963 120.200 -0.124 0.000 2.256 378 E HA 0.267 4.618 4.350 0.001 0.000 0.268 378 E C -0.180 176.375 176.600 -0.074 0.000 0.877 378 E CA -0.589 55.747 56.400 -0.107 0.000 0.757 378 E CB 2.114 31.781 29.700 -0.054 0.000 1.183 378 E HN 0.866 nan 8.360 nan 0.000 0.418 379 G N 2.076 110.838 108.800 -0.065 0.000 2.402 379 G HA2 -0.270 3.691 3.960 0.001 0.000 0.300 379 G HA3 -0.270 3.691 3.960 0.001 0.000 0.300 379 G C 0.950 175.824 174.900 -0.043 0.000 0.987 379 G CA 1.038 46.111 45.100 -0.044 0.000 0.881 379 G HN 1.211 nan 8.290 nan 0.000 0.512 380 G N -1.545 107.226 108.800 -0.049 0.000 2.199 380 G HA2 -0.269 3.691 3.960 0.001 0.000 0.254 380 G HA3 -0.269 3.691 3.960 0.001 0.000 0.254 380 G C 0.428 175.282 174.900 -0.076 0.000 0.982 380 G CA 1.130 46.200 45.100 -0.050 0.000 0.632 380 G HN 1.251 nan 8.290 nan 0.000 0.529 381 R N 0.797 121.251 120.500 -0.076 0.000 2.532 381 R HA 0.566 4.906 4.340 0.001 0.000 0.295 381 R C -0.363 175.881 176.300 -0.093 0.000 0.968 381 R CA -0.194 55.858 56.100 -0.082 0.000 0.916 381 R CB 0.724 30.986 30.300 -0.064 0.000 1.124 381 R HN 0.067 nan 8.270 nan 0.000 0.463 382 T N 3.865 118.359 114.554 -0.100 0.000 2.779 382 T HA 0.096 4.447 4.350 0.001 0.000 0.296 382 T C 1.021 175.680 174.700 -0.068 0.000 0.938 382 T CA -0.334 61.708 62.100 -0.096 0.000 1.119 382 T CB 0.920 69.727 68.868 -0.101 0.000 0.891 382 T HN 0.565 nan 8.240 nan 0.000 0.526 383 V N 0.899 120.772 119.914 -0.067 0.000 3.528 383 V HA 0.691 4.812 4.120 0.001 0.000 0.294 383 V C 0.712 176.769 176.094 -0.062 0.000 1.404 383 V CA 0.430 62.699 62.300 -0.051 0.000 1.065 383 V CB -0.223 31.581 31.823 -0.031 0.000 0.904 383 V HN 0.921 nan 8.190 nan 0.000 0.435 384 G N -0.894 107.869 108.800 -0.062 0.000 2.495 384 G HA2 0.798 4.759 3.960 0.001 0.000 0.294 384 G HA3 0.798 4.759 3.960 0.001 0.000 0.294 384 G C -1.492 173.383 174.900 -0.041 0.000 1.397 384 G CA -0.087 44.976 45.100 -0.062 0.000 0.790 384 G HN 1.074 nan 8.290 nan 0.000 0.486 385 A N -1.634 121.167 122.820 -0.031 0.000 2.587 385 A HA 1.060 5.380 4.320 0.001 0.000 0.293 385 A C -0.025 177.419 177.584 -0.234 0.000 1.087 385 A CA 0.166 52.131 52.037 -0.121 0.000 0.692 385 A CB 1.782 20.743 19.000 -0.065 0.000 1.291 385 A HN 2.388 nan 8.150 nan 0.000 0.407 386 G N -1.311 107.096 108.800 -0.655 0.000 2.645 386 G HA2 0.650 4.611 3.960 0.001 0.000 0.292 386 G HA3 0.650 4.611 3.960 0.001 0.000 0.292 386 G C -1.939 172.384 174.900 -0.963 0.000 1.415 386 G CA -0.295 44.312 45.100 -0.821 0.000 0.785 386 G HN 1.405 nan 8.290 nan 0.000 0.483 387 V N 0.037 119.733 119.914 -0.363 0.000 2.733 387 V HA 0.388 4.509 4.120 0.001 0.000 0.306 387 V C 0.043 176.388 176.094 0.418 0.000 1.084 387 V CA -0.771 61.549 62.300 0.033 0.000 0.905 387 V CB 1.764 33.604 31.823 0.028 0.000 1.010 387 V HN 0.690 nan 8.190 nan 0.000 0.424 388 V N 4.236 124.463 119.914 0.521 0.000 2.434 388 V HA 0.174 4.295 4.120 0.001 0.000 0.281 388 V C 1.308 177.550 176.094 0.246 0.000 1.005 388 V CA 1.176 63.703 62.300 0.379 0.000 1.089 388 V CB 0.576 32.433 31.823 0.058 0.000 0.978 388 V HN 1.131 nan 8.190 nan 0.000 0.474 389 A N 5.228 128.210 122.820 0.271 0.000 1.924 389 A HA 0.224 4.544 4.320 0.001 0.000 0.211 389 A C 1.041 178.693 177.584 0.112 0.000 1.198 389 A CA 0.552 52.689 52.037 0.166 0.000 0.657 389 A CB 0.264 19.360 19.000 0.161 0.000 0.852 389 A HN 0.636 nan 8.150 nan 0.000 0.454 390 K N 0.033 120.507 120.400 0.124 0.000 2.588 390 K HA 0.472 4.793 4.320 0.001 0.000 0.250 390 K C -1.823 174.807 176.600 0.050 0.000 0.972 390 K CA -0.444 55.878 56.287 0.058 0.000 0.821 390 K CB 2.136 34.663 32.500 0.045 0.000 1.249 390 K HN -0.003 nan 8.250 nan 0.000 0.442 391 V N 6.416 126.300 119.914 -0.049 0.000 2.508 391 V HA 0.112 4.233 4.120 0.001 0.000 0.281 391 V C 1.164 177.174 176.094 -0.140 0.000 1.041 391 V CA 0.047 62.252 62.300 -0.159 0.000 1.016 391 V CB 1.060 32.607 31.823 -0.460 0.000 0.984 391 V HN 0.793 nan 8.190 nan 0.000 0.478 392 L N 2.880 124.055 121.223 -0.081 0.000 2.362 392 L HA 0.264 4.604 4.340 0.001 0.000 0.204 392 L C 0.821 177.665 176.870 -0.045 0.000 1.060 392 L CA 0.548 55.357 54.840 -0.052 0.000 0.827 392 L CB 0.305 42.350 42.059 -0.022 0.000 1.027 392 L HN 0.678 nan 8.230 nan 0.000 0.474 393 S N 0.000 115.689 115.700 -0.018 0.000 2.498 393 S HA 0.000 4.471 4.470 0.001 0.000 0.327 393 S CA 0.000 58.237 58.200 0.062 0.000 1.107 393 S CB 0.000 63.223 63.200 0.038 0.000 0.593 393 S HN 0.000 nan 8.310 nan 0.000 0.517