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 2ay1_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF XXXXXXGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.303 176.300 0.005 0.000 1.140 5 M CA 0.000 55.303 55.300 0.004 0.000 0.988 5 M CB 0.000 32.603 32.600 0.005 0.000 1.302 6 L N 0.947 122.173 121.223 0.005 0.000 2.353 6 L HA -0.021 4.319 4.340 -0.000 0.000 0.220 6 L C 1.978 178.852 176.870 0.005 0.000 1.133 6 L CA 1.343 56.187 54.840 0.006 0.000 0.798 6 L CB -0.844 41.218 42.059 0.006 0.000 0.922 6 L HN 0.642 nan 8.230 nan 0.000 0.445 7 G N -0.395 108.408 108.800 0.004 0.000 2.679 7 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.212 7 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.212 7 G C 1.193 176.096 174.900 0.004 0.000 1.137 7 G CA 0.153 45.255 45.100 0.003 0.000 0.787 7 G HN 0.343 nan 8.290 nan 0.000 0.534 8 N N 0.089 118.792 118.700 0.005 0.000 2.412 8 N HA 0.104 4.844 4.740 -0.000 0.000 0.184 8 N C 0.672 176.186 175.510 0.007 0.000 1.101 8 N CA -0.130 52.924 53.050 0.005 0.000 0.881 8 N CB 0.073 38.563 38.487 0.005 0.000 0.969 8 N HN 0.250 nan 8.380 nan 0.000 0.459 9 L N 1.623 122.851 121.223 0.009 0.000 2.584 9 L HA -0.010 4.330 4.340 -0.000 0.000 0.272 9 L C 0.570 177.445 176.870 0.009 0.000 1.195 9 L CA 0.391 55.238 54.840 0.011 0.000 0.920 9 L CB 0.218 42.284 42.059 0.010 0.000 1.173 9 L HN -0.094 nan 8.230 nan 0.000 0.489 10 K N 5.137 125.544 120.400 0.012 0.000 2.154 10 K HA 0.336 4.656 4.320 -0.000 0.000 0.264 10 K C -2.030 174.575 176.600 0.008 0.000 1.008 10 K CA -1.462 54.831 56.287 0.010 0.000 0.937 10 K CB 0.391 32.898 32.500 0.012 0.000 1.002 10 K HN 0.402 nan 8.250 nan 0.000 0.469 11 P HA 0.064 nan 4.420 nan 0.000 0.276 11 P C -1.001 176.299 177.300 0.000 0.000 1.230 11 P CA -0.274 62.827 63.100 0.000 0.000 0.776 11 P CB 0.983 32.682 31.700 -0.002 0.000 0.888 12 Q N 0.673 120.471 119.800 -0.004 0.000 2.248 12 Q HA 0.571 4.911 4.340 -0.000 0.000 0.263 12 Q C -0.284 175.705 176.000 -0.018 0.000 1.007 12 Q CA -0.874 54.925 55.803 -0.007 0.000 0.877 12 Q CB 2.397 31.130 28.738 -0.009 0.000 1.315 12 Q HN 0.589 nan 8.270 nan 0.000 0.454 13 A N 3.067 125.874 122.820 -0.022 0.000 2.454 13 A HA 0.458 4.778 4.320 -0.000 0.000 0.260 13 A C -1.653 175.903 177.584 -0.048 0.000 1.106 13 A CA -0.730 51.288 52.037 -0.032 0.000 0.780 13 A CB -0.546 18.435 19.000 -0.032 0.000 1.044 13 A HN 0.441 nan 8.150 nan 0.000 0.498 14 P HA 0.237 nan 4.420 nan 0.000 0.278 14 P C -0.997 176.258 177.300 -0.074 0.000 1.266 14 P CA -0.547 62.519 63.100 -0.057 0.000 0.807 14 P CB 0.707 32.381 31.700 -0.044 0.000 1.094 15 D N 0.922 121.272 120.400 -0.084 0.000 2.344 15 D HA 0.012 4.651 4.640 -0.000 0.000 0.253 15 D C 1.087 177.337 176.300 -0.083 0.000 1.255 15 D CA 0.020 53.956 54.000 -0.106 0.000 0.894 15 D CB 0.566 41.300 40.800 -0.110 0.000 1.067 15 D HN 0.189 nan 8.370 nan 0.000 0.492 16 K N 3.174 123.524 120.400 -0.084 0.000 2.103 16 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 16 K C 1.915 178.483 176.600 -0.053 0.000 1.048 16 K CA 0.880 57.131 56.287 -0.061 0.000 0.930 16 K CB 0.224 32.690 32.500 -0.057 0.000 0.716 16 K HN 0.551 nan 8.250 nan 0.000 0.444 17 I N 1.144 121.671 120.570 -0.071 0.000 2.226 17 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 17 I C 2.196 178.295 176.117 -0.031 0.000 1.100 17 I CA 1.294 62.565 61.300 -0.049 0.000 1.374 17 I CB -0.286 37.681 38.000 -0.056 0.000 1.057 17 I HN 0.114 nan 8.210 nan 0.000 0.413 18 L N 0.329 121.529 121.223 -0.038 0.000 2.240 18 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 18 L C 2.837 179.690 176.870 -0.028 0.000 1.106 18 L CA 0.775 55.599 54.840 -0.026 0.000 0.793 18 L CB -0.664 41.378 42.059 -0.028 0.000 0.927 18 L HN 0.197 nan 8.230 nan 0.000 0.446 19 A N 0.452 123.252 122.820 -0.035 0.000 1.902 19 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 19 A C 2.230 179.793 177.584 -0.035 0.000 1.181 19 A CA 1.569 53.587 52.037 -0.033 0.000 0.623 19 A CB -0.644 18.337 19.000 -0.033 0.000 0.818 19 A HN 0.309 nan 8.150 nan 0.000 0.443 20 L N -1.153 120.051 121.223 -0.031 0.000 2.012 20 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 20 L C 2.484 179.325 176.870 -0.048 0.000 1.073 20 L CA 2.743 57.560 54.840 -0.038 0.000 0.748 20 L CB -0.491 41.566 42.059 -0.003 0.000 0.891 20 L HN 0.465 nan 8.230 nan 0.000 0.431 21 M N -0.392 119.190 119.600 -0.029 0.000 2.082 21 M HA -0.128 4.352 4.480 -0.000 0.000 0.258 21 M C 2.055 178.370 176.300 0.025 0.000 1.069 21 M CA 2.183 57.476 55.300 -0.013 0.000 1.102 21 M CB -1.207 31.383 32.600 -0.017 0.000 1.336 21 M HN 0.282 nan 8.290 nan 0.000 0.404 22 G N -1.125 107.673 108.800 -0.003 0.000 2.408 22 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 22 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 22 G C 1.425 176.309 174.900 -0.027 0.000 1.150 22 G CA 0.908 46.004 45.100 -0.006 0.000 0.776 22 G HN 0.648 nan 8.290 nan 0.000 0.542 23 E N -0.859 119.301 120.200 -0.067 0.000 2.204 23 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 23 E C 0.858 177.332 176.600 -0.210 0.000 0.990 23 E CA -0.263 56.054 56.400 -0.139 0.000 0.821 23 E CB -0.124 29.464 29.700 -0.187 0.000 0.750 23 E HN 0.309 nan 8.360 nan 0.000 0.477 32 K N 1.125 121.582 120.400 0.095 0.000 2.379 32 K HA 0.406 4.726 4.320 -0.000 0.000 0.284 32 K C -0.169 176.679 176.600 0.413 0.000 1.044 32 K CA 0.173 56.594 56.287 0.224 0.000 0.974 32 K CB 1.305 33.767 32.500 -0.063 0.000 0.962 32 K HN 0.307 nan 8.250 nan 0.000 0.474 33 I N 2.799 123.631 120.570 0.437 0.000 2.466 33 I HA 0.057 4.227 4.170 -0.000 0.000 0.279 33 I C -0.633 175.581 176.117 0.161 0.000 1.033 33 I CA -0.799 60.650 61.300 0.249 0.000 1.123 33 I CB 1.472 39.546 38.000 0.122 0.000 1.237 33 I HN 0.536 nan 8.210 nan 0.000 0.460 34 D N 6.270 126.573 120.400 -0.160 0.000 2.316 34 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 34 D C -0.195 175.991 176.300 -0.189 0.000 1.171 34 D CA -0.015 53.703 54.000 -0.470 0.000 0.856 34 D CB 1.114 41.200 40.800 -1.189 0.000 1.090 34 D HN 0.280 nan 8.370 nan 0.000 0.476 35 L N 4.022 125.204 121.223 -0.069 0.000 3.288 35 L HA 0.439 4.779 4.340 -0.000 0.000 0.293 35 L C 1.038 177.935 176.870 0.045 0.000 1.294 35 L CA -0.091 54.747 54.840 -0.002 0.000 1.006 35 L CB 0.884 42.960 42.059 0.029 0.000 1.407 35 L HN 0.616 nan 8.230 nan 0.000 0.592 36 G N -1.119 107.685 108.800 0.006 0.000 2.756 36 G HA2 0.206 4.166 3.960 -0.000 0.000 0.203 36 G HA3 0.206 4.166 3.960 -0.000 0.000 0.203 36 G C 0.057 175.018 174.900 0.101 0.000 2.015 36 G CA -0.124 45.002 45.100 0.043 0.000 0.835 36 G HN -0.094 nan 8.290 nan 0.000 0.648 37 V N 2.011 121.959 119.914 0.056 0.000 2.790 37 V HA 0.212 4.332 4.120 -0.000 0.000 0.304 37 V C 1.625 177.852 176.094 0.222 0.000 1.142 37 V CA 0.711 63.075 62.300 0.108 0.000 1.282 37 V CB 0.628 32.474 31.823 0.037 0.000 0.877 37 V HN 0.579 nan 8.190 nan 0.000 0.504 38 G N 4.576 113.606 108.800 0.382 0.000 3.284 38 G HA2 0.351 4.311 3.960 -0.000 0.000 0.251 38 G HA3 0.351 4.311 3.960 -0.000 0.000 0.251 38 G C -0.204 174.874 174.900 0.296 0.000 0.913 38 G CA -0.099 45.348 45.100 0.578 0.000 1.947 38 G HN 0.489 nan 8.290 nan 0.000 0.635 39 V N 0.731 120.713 119.914 0.114 0.000 2.667 39 V HA 0.326 4.446 4.120 -0.000 0.000 0.308 39 V C -0.343 175.801 176.094 0.082 0.000 1.048 39 V CA -1.349 60.958 62.300 0.011 0.000 0.928 39 V CB 1.719 33.366 31.823 -0.293 0.000 1.004 39 V HN 0.462 nan 8.190 nan 0.000 0.444 40 Y N 4.110 124.499 120.300 0.147 0.000 2.411 40 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 40 Y C 0.118 176.081 175.900 0.105 0.000 1.186 40 Y CA -0.118 58.077 58.100 0.159 0.000 1.381 40 Y CB 0.518 39.173 38.460 0.325 0.000 1.273 40 Y HN 0.564 nan 8.280 nan 0.000 0.546 41 K N 4.728 124.560 120.400 -0.946 0.000 2.422 41 K HA 0.245 4.565 4.320 -0.000 0.000 0.251 41 K C -1.105 174.962 176.600 -0.888 0.000 0.933 41 K CA -1.036 54.847 56.287 -0.673 0.000 0.798 41 K CB 1.396 33.699 32.500 -0.328 0.000 1.238 41 K HN 0.752 nan 8.250 nan 0.000 0.428 42 D N 0.957 121.094 120.400 -0.438 0.000 2.478 42 D HA 0.180 4.820 4.640 -0.000 0.000 0.269 42 D C 0.930 177.153 176.300 -0.128 0.000 1.232 42 D CA -0.471 53.415 54.000 -0.190 0.000 1.059 42 D CB 0.461 41.274 40.800 0.022 0.000 1.104 42 D HN 0.415 nan 8.370 nan 0.000 0.566 43 A N -0.476 122.318 122.820 -0.044 0.000 1.986 43 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 43 A C 1.821 179.354 177.584 -0.084 0.000 1.171 43 A CA 2.536 54.547 52.037 -0.044 0.000 0.640 43 A CB -1.368 17.628 19.000 -0.006 0.000 0.811 43 A HN 0.753 nan 8.150 nan 0.000 0.451 44 T N -4.026 110.458 114.554 -0.116 0.000 3.244 44 T HA 0.434 4.784 4.350 -0.000 0.000 0.254 44 T C 1.082 175.490 174.700 -0.487 0.000 1.024 44 T CA 0.814 62.777 62.100 -0.228 0.000 0.920 44 T CB -0.333 68.441 68.868 -0.156 0.000 1.042 44 T HN 1.731 nan 8.240 nan 0.000 0.572 45 G N 1.287 109.892 108.800 -0.324 0.000 2.221 45 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.265 45 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.265 45 G C -0.275 174.439 174.900 -0.309 0.000 1.041 45 G CA 0.174 45.095 45.100 -0.298 0.000 0.807 45 G HN 0.822 nan 8.290 nan 0.000 0.502 46 H N -1.119 117.919 119.070 -0.054 0.000 2.622 46 H HA 0.617 5.173 4.556 -0.000 0.000 0.363 46 H C -0.350 174.953 175.328 -0.042 0.000 1.151 46 H CA -0.599 55.432 56.048 -0.029 0.000 1.184 46 H CB 1.825 31.590 29.762 0.006 0.000 1.643 46 H HN 0.091 nan 8.280 nan 0.000 0.531 47 T N 5.117 119.751 114.554 0.133 0.000 3.029 47 T HA 0.175 4.525 4.350 -0.000 0.000 0.346 47 T C -1.983 172.828 174.700 0.186 0.000 1.211 47 T CA -1.247 60.927 62.100 0.123 0.000 1.009 47 T CB 0.158 69.058 68.868 0.053 0.000 1.084 47 T HN 0.444 nan 8.240 nan 0.000 0.536 48 P HA 0.357 nan 4.420 nan 0.000 0.274 48 P C -0.397 177.038 177.300 0.225 0.000 1.260 48 P CA -0.557 62.659 63.100 0.193 0.000 0.793 48 P CB 1.126 32.938 31.700 0.188 0.000 1.048 49 I N 0.352 121.037 120.570 0.191 0.000 2.385 49 I HA 0.251 4.421 4.170 -0.000 0.000 0.294 49 I C 1.021 177.257 176.117 0.198 0.000 0.988 49 I CA -0.903 60.523 61.300 0.209 0.000 1.265 49 I CB 0.955 39.079 38.000 0.207 0.000 1.388 49 I HN 0.169 nan 8.210 nan 0.000 0.480 50 M N 4.926 124.654 119.600 0.214 0.000 2.238 50 M HA 0.224 4.704 4.480 -0.000 0.000 0.347 50 M C 1.339 177.750 176.300 0.186 0.000 1.173 50 M CA 0.038 55.456 55.300 0.197 0.000 1.147 50 M CB 0.708 33.455 32.600 0.245 0.000 1.547 50 M HN 0.550 nan 8.290 nan 0.000 0.455 51 R N 1.780 122.367 120.500 0.144 0.000 2.133 51 R HA -0.238 4.102 4.340 -0.000 0.000 0.245 51 R C 2.144 178.539 176.300 0.159 0.000 1.137 51 R CA 2.094 58.269 56.100 0.125 0.000 0.947 51 R CB -0.854 29.495 30.300 0.082 0.000 0.865 51 R HN 0.900 nan 8.270 nan 0.000 0.437 52 A N 0.754 123.675 122.820 0.168 0.000 1.908 52 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 52 A C 2.455 180.119 177.584 0.133 0.000 1.181 52 A CA 1.737 53.868 52.037 0.156 0.000 0.627 52 A CB -0.634 18.486 19.000 0.201 0.000 0.818 52 A HN 0.154 nan 8.150 nan 0.000 0.445 53 V N -0.303 119.706 119.914 0.159 0.000 2.261 53 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 53 V C 2.553 178.709 176.094 0.103 0.000 1.047 53 V CA 2.240 64.609 62.300 0.116 0.000 1.015 53 V CB -1.004 30.909 31.823 0.151 0.000 0.642 53 V HN 0.789 nan 8.190 nan 0.000 0.446 54 H N 0.521 119.633 119.070 0.071 0.000 2.352 54 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 54 H C 2.256 177.612 175.328 0.047 0.000 1.097 54 H CA 2.107 58.193 56.048 0.062 0.000 1.311 54 H CB -0.016 29.784 29.762 0.065 0.000 1.377 54 H HN 0.401 nan 8.280 nan 0.000 0.504 55 A N 1.024 123.960 122.820 0.193 0.000 1.902 55 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 55 A C 2.758 180.362 177.584 0.034 0.000 1.181 55 A CA 1.809 53.920 52.037 0.123 0.000 0.623 55 A CB -1.042 18.025 19.000 0.113 0.000 0.818 55 A HN 0.560 nan 8.150 nan 0.000 0.443 56 A N -0.160 122.668 122.820 0.013 0.000 1.908 56 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 56 A C 1.933 179.477 177.584 -0.067 0.000 1.181 56 A CA 1.755 53.769 52.037 -0.038 0.000 0.627 56 A CB -0.579 18.379 19.000 -0.070 0.000 0.818 56 A HN 0.642 nan 8.150 nan 0.000 0.445 57 E N -0.536 119.615 120.200 -0.081 0.000 2.077 57 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 57 E C 2.328 178.893 176.600 -0.058 0.000 0.989 57 E CA 1.339 57.697 56.400 -0.070 0.000 0.800 57 E CB -0.195 29.466 29.700 -0.063 0.000 0.746 57 E HN 0.729 nan 8.360 nan 0.000 0.452 58 Q N 0.301 120.045 119.800 -0.093 0.000 2.084 58 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 58 Q C 2.299 178.293 176.000 -0.011 0.000 0.978 58 Q CA 1.206 56.979 55.803 -0.051 0.000 0.844 58 Q CB -0.173 28.554 28.738 -0.018 0.000 0.898 58 Q HN 0.141 nan 8.270 nan 0.000 0.426 59 R N 0.536 121.032 120.500 -0.007 0.000 2.081 59 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 59 R C 2.167 178.469 176.300 0.003 0.000 1.131 59 R CA 1.486 57.586 56.100 0.001 0.000 0.960 59 R CB -0.101 30.198 30.300 -0.002 0.000 0.856 59 R HN 0.239 nan 8.270 nan 0.000 0.436 60 M N 0.359 119.958 119.600 -0.002 0.000 2.086 60 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 60 M C 2.238 178.564 176.300 0.044 0.000 1.067 60 M CA 1.275 56.589 55.300 0.024 0.000 1.116 60 M CB -0.341 32.269 32.600 0.016 0.000 1.348 60 M HN 0.220 nan 8.290 nan 0.000 0.407 61 L N 0.510 121.755 121.223 0.037 0.000 2.187 61 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 61 L C 2.038 178.918 176.870 0.016 0.000 1.100 61 L CA 1.923 56.781 54.840 0.029 0.000 0.765 61 L CB -0.568 41.499 42.059 0.014 0.000 0.904 61 L HN 0.340 nan 8.230 nan 0.000 0.437 62 E N -1.669 118.540 120.200 0.014 0.000 2.190 62 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 62 E C 1.756 178.362 176.600 0.009 0.000 0.978 62 E CA 1.018 57.424 56.400 0.010 0.000 0.839 62 E CB 0.103 29.809 29.700 0.010 0.000 0.787 62 E HN 0.683 nan 8.360 nan 0.000 0.473 63 T N -1.469 113.094 114.554 0.014 0.000 3.040 63 T HA 0.103 4.453 4.350 -0.000 0.000 0.252 63 T C 0.833 175.540 174.700 0.013 0.000 1.064 63 T CA -0.292 61.815 62.100 0.013 0.000 1.110 63 T CB 0.158 69.036 68.868 0.016 0.000 0.921 63 T HN -0.097 nan 8.240 nan 0.000 0.480 67 T N 0.427 114.919 114.554 -0.103 0.000 2.853 67 T HA 0.610 4.960 4.350 -0.000 0.000 0.311 67 T C -1.551 173.023 174.700 -0.209 0.000 1.307 67 T CA -0.608 61.408 62.100 -0.140 0.000 1.019 67 T CB 2.116 70.901 68.868 -0.137 0.000 1.264 67 T HN 0.122 nan 8.240 nan 0.000 0.497 68 K N 1.755 122.015 120.400 -0.234 0.000 2.676 68 K HA 0.248 4.568 4.320 -0.000 0.000 0.205 68 K C 0.069 176.459 176.600 -0.351 0.000 1.084 68 K CA -0.313 55.791 56.287 -0.305 0.000 1.057 68 K CB 0.779 33.141 32.500 -0.230 0.000 0.791 68 K HN 0.594 nan 8.250 nan 0.000 0.484 69 T N 0.989 115.344 114.554 -0.331 0.000 2.734 69 T HA 0.011 4.361 4.350 -0.000 0.000 0.314 69 T C 0.262 174.715 174.700 -0.412 0.000 1.057 69 T CA 0.186 62.058 62.100 -0.380 0.000 1.047 69 T CB 0.253 68.970 68.868 -0.251 0.000 0.991 69 T HN -0.010 nan 8.240 nan 0.000 0.540 70 Y N 0.483 120.581 120.300 -0.337 0.000 2.683 70 Y HA 0.352 4.902 4.550 -0.000 0.000 0.340 70 Y C 0.864 176.438 175.900 -0.542 0.000 1.245 70 Y CA -0.153 57.585 58.100 -0.604 0.000 1.485 70 Y CB -0.213 37.812 38.460 -0.726 0.000 1.328 70 Y HN 0.812 nan 8.280 nan 0.000 0.603 71 A N 1.893 124.445 122.820 -0.445 0.000 3.708 71 A HA 0.770 5.090 4.320 -0.000 0.000 0.178 71 A C 0.467 178.010 177.584 -0.069 0.000 1.050 71 A CA -0.113 51.803 52.037 -0.201 0.000 1.245 71 A CB -0.470 18.470 19.000 -0.100 0.000 1.600 71 A HN 0.806 nan 8.150 nan 0.000 0.697 72 G N -0.644 108.225 108.800 0.114 0.000 2.370 72 G HA2 0.445 4.405 3.960 -0.000 0.000 0.272 72 G HA3 0.445 4.405 3.960 -0.000 0.000 0.272 72 G C 0.378 175.533 174.900 0.425 0.000 1.208 72 G CA -0.219 45.026 45.100 0.243 0.000 0.856 72 G HN 0.596 nan 8.290 nan 0.000 0.500 73 L N 2.391 123.877 121.223 0.440 0.000 2.141 73 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 73 L C 2.332 179.306 176.870 0.175 0.000 1.094 73 L CA 1.773 56.770 54.840 0.261 0.000 0.763 73 L CB 0.064 42.121 42.059 -0.002 0.000 0.908 73 L HN 0.428 nan 8.230 nan 0.000 0.437 74 S N -0.227 115.575 115.700 0.169 0.000 2.557 74 S HA 0.582 5.052 4.470 -0.000 0.000 0.223 74 S C 0.574 175.283 174.600 0.181 0.000 0.969 74 S CA 0.270 58.559 58.200 0.148 0.000 0.927 74 S CB -0.209 63.061 63.200 0.116 0.000 0.806 74 S HN 0.748 nan 8.310 nan 0.000 0.489 75 G N 1.658 110.577 108.800 0.199 0.000 2.661 75 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.685 75 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.685 75 G C -1.323 173.690 174.900 0.188 0.000 1.298 75 G CA -1.050 44.163 45.100 0.187 0.000 0.855 75 G HN 0.120 nan 8.290 nan 0.000 0.560 76 E N 0.782 121.089 120.200 0.179 0.000 2.331 76 E HA 0.322 4.672 4.350 -0.000 0.000 0.272 76 E C -1.404 175.291 176.600 0.159 0.000 1.036 76 E CA -1.550 54.948 56.400 0.163 0.000 0.864 76 E CB 1.199 30.990 29.700 0.152 0.000 1.035 76 E HN 0.155 nan 8.360 nan 0.000 0.408 77 P HA -0.191 nan 4.420 nan 0.000 0.216 77 P C 0.789 178.122 177.300 0.056 0.000 1.153 77 P CA 1.375 64.519 63.100 0.074 0.000 0.858 77 P CB 0.417 32.151 31.700 0.057 0.000 0.789 78 E N -1.380 118.858 120.200 0.063 0.000 2.038 78 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 78 E C 1.755 178.376 176.600 0.035 0.000 1.000 78 E CA 1.143 57.566 56.400 0.037 0.000 0.803 78 E CB -1.268 28.452 29.700 0.034 0.000 0.750 78 E HN 0.233 nan 8.360 nan 0.000 0.448 79 F N 1.546 121.447 119.950 -0.081 0.000 2.134 79 F HA -0.218 4.309 4.527 0.000 0.000 0.299 79 F C 2.035 177.788 175.800 -0.077 0.000 1.097 79 F CA 1.661 59.592 58.000 -0.115 0.000 1.264 79 F CB -0.240 38.678 39.000 -0.137 0.000 1.001 79 F HN -0.002 nan 8.300 nan 0.000 0.479 80 Q N 0.220 119.963 119.800 -0.095 0.000 2.020 80 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 80 Q C 2.340 178.231 176.000 -0.183 0.000 0.982 80 Q CA 2.061 57.762 55.803 -0.169 0.000 0.838 80 Q CB -0.389 28.347 28.738 -0.004 0.000 0.899 80 Q HN 0.443 nan 8.270 nan 0.000 0.423 81 K N 0.495 120.832 120.400 -0.105 0.000 2.025 81 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 81 K C 2.114 178.646 176.600 -0.113 0.000 1.049 81 K CA 1.118 57.355 56.287 -0.084 0.000 0.933 81 K CB -0.170 32.304 32.500 -0.042 0.000 0.714 81 K HN 0.167 nan 8.250 nan 0.000 0.438 82 A N 1.304 124.041 122.820 -0.138 0.000 1.883 82 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 82 A C 2.154 179.628 177.584 -0.184 0.000 1.186 82 A CA 1.685 53.639 52.037 -0.138 0.000 0.624 82 A CB -0.454 18.464 19.000 -0.137 0.000 0.822 82 A HN 0.307 nan 8.150 nan 0.000 0.444 83 M N -0.617 118.781 119.600 -0.336 0.000 2.086 83 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 83 M C 2.365 178.551 176.300 -0.189 0.000 1.067 83 M CA 1.562 56.657 55.300 -0.343 0.000 1.116 83 M CB -1.952 30.261 32.600 -0.645 0.000 1.348 83 M HN 0.480 nan 8.290 nan 0.000 0.407 84 G N -0.128 108.569 108.800 -0.170 0.000 2.422 84 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 84 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 84 G C 1.518 176.379 174.900 -0.066 0.000 1.146 84 G CA 0.762 45.802 45.100 -0.099 0.000 0.769 84 G HN 0.538 nan 8.290 nan 0.000 0.547 85 E N -0.421 119.741 120.200 -0.063 0.000 2.107 85 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 85 E C 2.364 178.953 176.600 -0.018 0.000 0.982 85 E CA 0.480 56.859 56.400 -0.035 0.000 0.809 85 E CB -0.142 29.541 29.700 -0.029 0.000 0.756 85 E HN 0.338 nan 8.360 nan 0.000 0.459 86 L N 1.187 122.399 121.223 -0.018 0.000 2.012 86 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 86 L C 1.964 178.846 176.870 0.021 0.000 1.073 86 L CA 1.677 56.532 54.840 0.026 0.000 0.748 86 L CB -0.194 41.893 42.059 0.047 0.000 0.891 86 L HN 0.102 nan 8.230 nan 0.000 0.431 87 I N -1.380 119.185 120.570 -0.008 0.000 2.277 87 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 87 I C 1.938 178.040 176.117 -0.024 0.000 1.094 87 I CA 1.110 62.403 61.300 -0.011 0.000 1.393 87 I CB -0.106 37.881 38.000 -0.023 0.000 1.078 87 I HN 0.181 nan 8.210 nan 0.000 0.417 88 L N -0.009 121.197 121.223 -0.029 0.000 2.585 88 L HA 0.301 4.641 4.340 -0.000 0.000 0.226 88 L C 1.417 178.271 176.870 -0.027 0.000 1.113 88 L CA 0.202 55.023 54.840 -0.032 0.000 0.876 88 L CB -0.440 41.600 42.059 -0.031 0.000 1.072 88 L HN 0.442 nan 8.230 nan 0.000 0.468 89 G N 0.947 109.735 108.800 -0.020 0.000 2.574 89 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.286 89 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.286 89 G C 0.322 175.213 174.900 -0.016 0.000 1.212 89 G CA 0.359 45.450 45.100 -0.015 0.000 0.979 89 G HN 0.328 nan 8.290 nan 0.000 0.557 90 D N 2.288 122.679 120.400 -0.014 0.000 2.352 90 D HA 0.232 4.872 4.640 -0.000 0.000 0.232 90 D C 1.395 177.687 176.300 -0.014 0.000 1.055 90 D CA 1.000 54.992 54.000 -0.013 0.000 0.891 90 D CB -0.137 40.657 40.800 -0.010 0.000 0.897 90 D HN 0.622 nan 8.370 nan 0.000 0.529 96 K N 3.293 123.686 120.400 -0.011 0.000 2.290 96 K HA 0.404 4.724 4.320 -0.000 0.000 0.250 96 K C 1.040 177.637 176.600 -0.006 0.000 1.092 96 K CA -0.155 56.128 56.287 -0.007 0.000 1.006 96 K CB 1.000 33.497 32.500 -0.004 0.000 1.549 96 K HN 0.659 nan 8.250 nan 0.000 0.436 97 S N 1.950 117.646 115.700 -0.006 0.000 2.380 97 S HA -0.225 4.245 4.470 -0.000 0.000 0.229 97 S C 1.833 176.433 174.600 -0.000 0.000 1.043 97 S CA 1.733 59.930 58.200 -0.004 0.000 1.038 97 S CB -0.099 63.098 63.200 -0.004 0.000 0.872 97 S HN 0.754 nan 8.310 nan 0.000 0.456 98 E N 1.824 122.024 120.200 0.001 0.000 2.331 98 E HA -0.171 4.179 4.350 -0.000 0.000 0.199 98 E C 1.126 177.728 176.600 0.003 0.000 1.008 98 E CA 1.669 58.070 56.400 0.003 0.000 0.843 98 E CB -0.703 28.999 29.700 0.002 0.000 0.761 98 E HN 0.672 nan 8.360 nan 0.000 0.507 99 T N -2.511 112.045 114.554 0.002 0.000 3.231 99 T HA 0.275 4.625 4.350 -0.000 0.000 0.292 99 T C 0.039 174.741 174.700 0.004 0.000 1.001 99 T CA -0.525 61.578 62.100 0.004 0.000 0.920 99 T CB 0.216 69.086 68.868 0.003 0.000 1.140 99 T HN -0.068 nan 8.240 nan 0.000 0.525 100 T N 2.382 116.938 114.554 0.003 0.000 2.812 100 T HA 0.762 5.112 4.350 -0.000 0.000 0.282 100 T C -0.417 174.287 174.700 0.007 0.000 0.990 100 T CA -0.574 61.527 62.100 0.003 0.000 0.960 100 T CB 1.561 70.427 68.868 -0.005 0.000 0.948 100 T HN 0.483 nan 8.240 nan 0.000 0.438 101 A N 2.877 125.704 122.820 0.012 0.000 2.324 101 A HA 0.823 5.143 4.320 -0.000 0.000 0.330 101 A C 0.007 177.604 177.584 0.022 0.000 1.165 101 A CA -0.645 51.404 52.037 0.020 0.000 0.813 101 A CB 0.822 19.837 19.000 0.026 0.000 1.197 101 A HN 0.705 nan 8.150 nan 0.000 0.484 102 T N 2.714 117.286 114.554 0.030 0.000 2.886 102 T HA 0.560 4.910 4.350 -0.000 0.000 0.292 102 T C -1.076 173.666 174.700 0.071 0.000 1.012 102 T CA -0.358 61.762 62.100 0.033 0.000 0.982 102 T CB 1.133 70.002 68.868 0.003 0.000 1.018 102 T HN 0.552 nan 8.240 nan 0.000 0.451 103 L N 2.669 123.947 121.223 0.092 0.000 2.381 103 L HA 0.757 5.097 4.340 -0.000 0.000 0.274 103 L C -0.330 176.651 176.870 0.184 0.000 0.988 103 L CA -0.898 54.018 54.840 0.126 0.000 0.824 103 L CB 1.386 43.508 42.059 0.104 0.000 1.263 103 L HN 0.843 nan 8.230 nan 0.000 0.410 104 A N 3.230 126.189 122.820 0.232 0.000 2.401 104 A HA 0.630 4.950 4.320 -0.000 0.000 0.259 104 A C 0.241 177.934 177.584 0.181 0.000 1.103 104 A CA 0.015 52.214 52.037 0.271 0.000 0.789 104 A CB 0.496 19.599 19.000 0.171 0.000 1.035 104 A HN 0.775 nan 8.150 nan 0.000 0.491 105 T N -1.703 112.939 114.554 0.147 0.000 2.858 105 T HA 0.565 4.915 4.350 -0.000 0.000 0.285 105 T C -0.517 174.196 174.700 0.021 0.000 1.052 105 T CA -0.660 61.523 62.100 0.138 0.000 1.009 105 T CB 0.922 69.885 68.868 0.158 0.000 1.241 105 T HN 0.579 nan 8.240 nan 0.000 0.542 106 V N 2.016 121.924 119.914 -0.010 0.000 2.276 106 V HA 0.586 4.706 4.120 -0.000 0.000 0.249 106 V C 1.333 177.424 176.094 -0.005 0.000 1.160 106 V CA 0.466 62.713 62.300 -0.089 0.000 1.042 106 V CB -0.942 30.770 31.823 -0.186 0.000 1.224 106 V HN 1.498 nan 8.190 nan 0.000 0.496 107 G N 4.197 112.994 108.800 -0.004 0.000 2.888 107 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.441 107 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.441 107 G C 0.854 175.784 174.900 0.051 0.000 1.461 107 G CA -0.200 44.914 45.100 0.023 0.000 0.897 107 G HN 1.050 nan 8.290 nan 0.000 0.547 108 G N -1.328 107.493 108.800 0.036 0.000 2.432 108 G HA2 0.057 4.017 3.960 -0.000 0.000 0.219 108 G HA3 0.057 4.017 3.960 -0.000 0.000 0.219 108 G C 1.838 176.792 174.900 0.090 0.000 1.135 108 G CA 2.321 47.442 45.100 0.034 0.000 0.767 108 G HN 1.190 nan 8.290 nan 0.000 0.550 109 T N 1.031 115.666 114.554 0.135 0.000 2.708 109 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 109 T C 2.532 177.329 174.700 0.162 0.000 1.037 109 T CA 1.392 63.621 62.100 0.215 0.000 1.146 109 T CB -0.628 68.389 68.868 0.248 0.000 0.865 109 T HN 0.335 nan 8.240 nan 0.000 0.435 110 G N 1.077 109.954 108.800 0.129 0.000 2.450 110 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.220 110 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.220 110 G C 1.788 176.774 174.900 0.144 0.000 1.130 110 G CA 0.944 46.127 45.100 0.139 0.000 0.760 110 G HN 0.591 nan 8.290 nan 0.000 0.557 111 A N 0.485 123.382 122.820 0.128 0.000 1.898 111 A HA 0.131 4.451 4.320 -0.000 0.000 0.216 111 A C 2.427 180.082 177.584 0.117 0.000 1.181 111 A CA 1.180 53.287 52.037 0.118 0.000 0.620 111 A CB -0.345 18.714 19.000 0.100 0.000 0.819 111 A HN 0.358 nan 8.150 nan 0.000 0.442 112 L N -1.176 120.129 121.223 0.137 0.000 2.017 112 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 112 L C 2.758 179.710 176.870 0.137 0.000 1.073 112 L CA 1.706 56.636 54.840 0.150 0.000 0.745 112 L CB -0.454 41.739 42.059 0.225 0.000 0.894 112 L HN 0.369 nan 8.230 nan 0.000 0.432 113 R N 0.378 120.963 120.500 0.142 0.000 2.096 113 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 113 R C 2.241 178.607 176.300 0.110 0.000 1.139 113 R CA 1.753 57.931 56.100 0.130 0.000 0.952 113 R CB -0.541 29.837 30.300 0.130 0.000 0.854 113 R HN 0.195 nan 8.270 nan 0.000 0.436 114 Q N -0.474 119.389 119.800 0.105 0.000 2.124 114 Q HA 0.078 4.418 4.340 -0.000 0.000 0.202 114 Q C 1.924 177.971 176.000 0.079 0.000 0.977 114 Q CA 1.973 57.826 55.803 0.084 0.000 0.850 114 Q CB -0.383 28.408 28.738 0.088 0.000 0.901 114 Q HN 0.473 nan 8.270 nan 0.000 0.429 115 A N -0.167 122.704 122.820 0.085 0.000 1.902 115 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 115 A C 1.985 179.613 177.584 0.072 0.000 1.181 115 A CA 1.315 53.398 52.037 0.076 0.000 0.623 115 A CB -0.668 18.378 19.000 0.078 0.000 0.818 115 A HN 0.400 nan 8.150 nan 0.000 0.443 116 L N -0.829 120.442 121.223 0.079 0.000 2.072 116 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 116 L C 2.671 179.580 176.870 0.065 0.000 1.079 116 L CA 1.069 55.953 54.840 0.074 0.000 0.752 116 L CB -0.597 41.513 42.059 0.085 0.000 0.906 116 L HN 0.326 nan 8.230 nan 0.000 0.436 117 E N 0.278 120.520 120.200 0.069 0.000 2.038 117 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 117 E C 2.159 178.795 176.600 0.060 0.000 1.000 117 E CA 1.292 57.729 56.400 0.062 0.000 0.803 117 E CB -0.474 29.262 29.700 0.060 0.000 0.750 117 E HN 0.260 nan 8.360 nan 0.000 0.448 118 L N 0.996 122.257 121.223 0.062 0.000 2.012 118 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 118 L C 2.257 179.155 176.870 0.046 0.000 1.073 118 L CA 2.220 57.094 54.840 0.057 0.000 0.748 118 L CB -0.790 41.303 42.059 0.057 0.000 0.891 118 L HN 0.065 nan 8.230 nan 0.000 0.431 119 A N -0.556 122.293 122.820 0.048 0.000 1.902 119 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 119 A C 2.550 180.157 177.584 0.038 0.000 1.181 119 A CA 1.820 53.883 52.037 0.044 0.000 0.623 119 A CB -0.673 18.358 19.000 0.051 0.000 0.818 119 A HN 0.504 nan 8.150 nan 0.000 0.443 120 R N -0.931 119.593 120.500 0.039 0.000 2.120 120 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 120 R C 2.125 178.440 176.300 0.024 0.000 1.123 120 R CA 1.552 57.670 56.100 0.030 0.000 0.975 120 R CB -0.293 30.023 30.300 0.028 0.000 0.866 120 R HN 0.576 nan 8.270 nan 0.000 0.446 121 M N -0.422 119.195 119.600 0.029 0.000 2.086 121 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 121 M C 2.341 178.647 176.300 0.009 0.000 1.067 121 M CA 1.903 57.215 55.300 0.020 0.000 1.116 121 M CB -0.180 32.436 32.600 0.026 0.000 1.348 121 M HN 0.272 nan 8.290 nan 0.000 0.407 122 A N -0.366 122.462 122.820 0.013 0.000 2.119 122 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 122 A C 0.739 178.330 177.584 0.012 0.000 1.152 122 A CA 1.079 53.122 52.037 0.009 0.000 0.708 122 A CB -0.258 18.750 19.000 0.014 0.000 0.805 122 A HN 0.518 nan 8.150 nan 0.000 0.460 123 N N -1.528 117.182 118.700 0.017 0.000 2.732 123 N HA 0.285 5.025 4.740 -0.000 0.000 0.247 123 N C -2.819 172.701 175.510 0.017 0.000 1.305 123 N CA -1.408 51.653 53.050 0.018 0.000 0.762 123 N CB 1.131 39.634 38.487 0.026 0.000 1.361 123 N HN -0.216 nan 8.380 nan 0.000 0.545 124 P HA -0.017 nan 4.420 nan 0.000 0.223 124 P C -0.396 176.908 177.300 0.007 0.000 1.144 124 P CA 1.138 64.242 63.100 0.007 0.000 0.783 124 P CB 0.254 31.955 31.700 0.002 0.000 0.771 125 D N -0.493 119.914 120.400 0.011 0.000 2.615 125 D HA 0.068 4.708 4.640 -0.000 0.000 0.236 125 D C 0.694 177.007 176.300 0.021 0.000 1.233 125 D CA -0.090 53.917 54.000 0.012 0.000 0.829 125 D CB 0.262 41.069 40.800 0.012 0.000 1.024 125 D HN 0.122 nan 8.370 nan 0.000 0.490 134 F N 4.209 124.220 119.950 0.102 0.000 2.410 134 F HA 0.751 5.278 4.527 -0.000 0.000 0.349 134 F C 0.389 176.303 175.800 0.189 0.000 1.117 134 F CA -0.518 57.585 58.000 0.171 0.000 1.104 134 F CB 1.894 41.045 39.000 0.252 0.000 1.122 134 F HN 0.456 nan 8.300 nan 0.000 0.483 135 V N 0.286 120.301 119.914 0.167 0.000 2.864 135 V HA 0.761 4.881 4.120 -0.000 0.000 0.314 135 V C -0.175 175.565 176.094 -0.591 0.000 1.073 135 V CA -1.110 61.156 62.300 -0.056 0.000 0.956 135 V CB 1.417 33.228 31.823 -0.020 0.000 1.023 135 V HN 0.720 nan 8.190 nan 0.000 0.435 136 S N 0.976 116.234 115.700 -0.737 0.000 2.585 136 S HA 0.388 4.858 4.470 -0.000 0.000 0.273 136 S C -0.344 174.092 174.600 -0.274 0.000 1.339 136 S CA -0.093 57.566 58.200 -0.901 0.000 1.028 136 S CB 0.908 63.817 63.200 -0.485 0.000 0.906 136 S HN 1.112 nan 8.310 nan 0.000 0.528 137 D N 2.478 122.804 120.400 -0.124 0.000 2.460 137 D HA 0.491 5.131 4.640 -0.000 0.000 0.232 137 D C -2.055 174.342 176.300 0.162 0.000 1.079 137 D CA -1.841 52.178 54.000 0.032 0.000 0.864 137 D CB 1.125 41.951 40.800 0.043 0.000 1.048 137 D HN 0.357 nan 8.370 nan 0.000 0.523 138 P HA 0.382 nan 4.420 nan 0.000 0.310 138 P C -0.584 176.784 177.300 0.113 0.000 1.309 138 P CA -0.480 62.666 63.100 0.076 0.000 0.769 138 P CB 1.741 33.454 31.700 0.021 0.000 1.327 139 T N -2.459 112.146 114.554 0.085 0.000 2.769 139 T HA 0.287 4.637 4.350 -0.000 0.000 0.306 139 T C -1.895 172.911 174.700 0.177 0.000 1.400 139 T CA -0.459 61.744 62.100 0.172 0.000 1.007 139 T CB 0.100 69.183 68.868 0.360 0.000 1.392 139 T HN 0.309 nan 8.240 nan 0.000 0.500 140 W N 4.090 125.389 121.300 -0.001 0.000 2.520 140 W HA 0.245 4.905 4.660 -0.000 0.000 0.337 140 W C -2.029 174.371 176.519 -0.199 0.000 1.406 140 W CA -1.244 55.961 57.345 -0.233 0.000 1.318 140 W CB 0.166 29.298 29.460 -0.546 0.000 1.338 140 W HN 0.597 nan 8.180 nan 0.000 0.570 141 P HA -0.299 nan 4.420 nan 0.000 0.216 141 P C 0.937 177.981 177.300 -0.428 0.000 1.154 141 P CA 2.487 65.392 63.100 -0.324 0.000 0.865 141 P CB 0.092 31.594 31.700 -0.330 0.000 0.789 142 N N -2.159 116.011 118.700 -0.883 0.000 2.430 142 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 142 N C 1.570 176.893 175.510 -0.311 0.000 1.032 142 N CA 0.437 53.015 53.050 -0.787 0.000 0.893 142 N CB -0.412 37.172 38.487 -1.506 0.000 0.957 142 N HN 0.439 nan 8.380 nan 0.000 0.442 143 H N -0.233 118.767 119.070 -0.117 0.000 2.299 143 H HA -0.056 4.500 4.556 -0.000 0.000 0.302 143 H C 2.143 177.473 175.328 0.003 0.000 1.078 143 H CA 1.106 57.182 56.048 0.048 0.000 1.323 143 H CB 0.217 30.050 29.762 0.119 0.000 1.381 143 H HN 0.010 nan 8.280 nan 0.000 0.498 144 V N 0.754 120.731 119.914 0.104 0.000 2.358 144 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 144 V C 2.518 178.624 176.094 0.020 0.000 1.047 144 V CA 1.749 64.076 62.300 0.045 0.000 1.035 144 V CB -0.518 31.313 31.823 0.013 0.000 0.658 144 V HN 0.559 nan 8.190 nan 0.000 0.452 145 S N 0.623 116.306 115.700 -0.029 0.000 2.359 145 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 145 S C 1.986 176.611 174.600 0.042 0.000 1.035 145 S CA 1.788 59.973 58.200 -0.025 0.000 1.018 145 S CB -0.715 62.424 63.200 -0.101 0.000 0.876 145 S HN 0.523 nan 8.310 nan 0.000 0.448 146 I N 1.391 121.984 120.570 0.039 0.000 2.179 146 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 146 I C 2.813 179.032 176.117 0.169 0.000 1.088 146 I CA 1.683 63.052 61.300 0.115 0.000 1.357 146 I CB -0.421 37.640 38.000 0.102 0.000 1.051 146 I HN 0.296 nan 8.210 nan 0.000 0.409 147 M N 0.246 119.915 119.600 0.114 0.000 2.149 147 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 147 M C 1.983 178.326 176.300 0.072 0.000 1.064 147 M CA 1.725 57.077 55.300 0.087 0.000 1.102 147 M CB -0.501 32.135 32.600 0.060 0.000 1.369 147 M HN 0.248 nan 8.290 nan 0.000 0.408 148 N N 0.234 118.980 118.700 0.077 0.000 2.106 148 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 148 N C 1.506 177.069 175.510 0.090 0.000 1.029 148 N CA 1.199 54.286 53.050 0.061 0.000 0.848 148 N CB -0.600 37.919 38.487 0.053 0.000 1.007 148 N HN 0.261 nan 8.380 nan 0.000 0.423 149 F N 1.659 121.603 119.950 -0.010 0.000 2.091 149 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 149 F C 2.129 177.928 175.800 -0.002 0.000 1.103 149 F CA 1.506 59.501 58.000 -0.008 0.000 1.228 149 F CB -0.339 38.657 39.000 -0.007 0.000 0.984 149 F HN -0.029 nan 8.300 nan 0.000 0.477 150 M N -0.377 119.187 119.600 -0.058 0.000 2.476 150 M HA 0.126 4.606 4.480 -0.000 0.000 0.262 150 M C 1.386 177.614 176.300 -0.120 0.000 1.079 150 M CA 1.109 56.319 55.300 -0.150 0.000 1.104 150 M CB -0.565 32.038 32.600 0.005 0.000 1.409 150 M HN 0.376 nan 8.290 nan 0.000 0.467 151 G N 1.518 110.276 108.800 -0.070 0.000 2.212 151 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.255 151 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.255 151 G C -0.417 174.464 174.900 -0.032 0.000 1.062 151 G CA -0.409 44.658 45.100 -0.055 0.000 0.815 151 G HN 0.235 nan 8.290 nan 0.000 0.497 155 V N 3.064 122.928 119.914 -0.083 0.000 2.435 155 V HA 0.468 4.588 4.120 -0.000 0.000 0.290 155 V C 0.084 176.077 176.094 -0.168 0.000 1.030 155 V CA -0.338 61.899 62.300 -0.106 0.000 0.881 155 V CB 1.803 33.595 31.823 -0.052 0.000 0.983 155 V HN 0.506 nan 8.190 nan 0.000 0.445 156 Q N 2.296 121.923 119.800 -0.288 0.000 2.351 156 Q HA 0.683 5.023 4.340 -0.000 0.000 0.273 156 Q C -0.309 175.584 176.000 -0.177 0.000 1.077 156 Q CA -0.591 54.991 55.803 -0.368 0.000 0.843 156 Q CB 2.625 30.768 28.738 -0.992 0.000 1.367 156 Q HN 0.911 nan 8.270 nan 0.000 0.449 157 T N -1.636 112.894 114.554 -0.039 0.000 2.907 157 T HA 0.714 5.064 4.350 -0.000 0.000 0.292 157 T C -0.808 174.009 174.700 0.195 0.000 1.043 157 T CA -0.732 61.383 62.100 0.025 0.000 1.003 157 T CB 0.874 69.729 68.868 -0.023 0.000 1.084 157 T HN 0.479 nan 8.240 nan 0.000 0.483 158 Y N -0.558 119.868 120.300 0.210 0.000 2.446 158 Y HA 0.749 5.299 4.550 -0.000 0.000 0.345 158 Y C 0.052 176.049 175.900 0.162 0.000 0.984 158 Y CA -1.713 56.501 58.100 0.190 0.000 1.058 158 Y CB 1.137 39.708 38.460 0.185 0.000 1.220 158 Y HN 0.653 nan 8.280 nan 0.000 0.455 159 R N 2.211 122.890 120.500 0.298 0.000 2.522 159 R HA 0.069 4.409 4.340 -0.000 0.000 0.284 159 R C -0.812 175.689 176.300 0.336 0.000 1.032 159 R CA 0.477 56.706 56.100 0.215 0.000 1.049 159 R CB 0.252 30.623 30.300 0.118 0.000 0.956 159 R HN 0.967 nan 8.270 nan 0.000 0.422 160 Y N 2.676 123.055 120.300 0.131 0.000 3.199 160 Y HA 0.199 4.749 4.550 -0.000 0.000 0.211 160 Y C -0.367 175.587 175.900 0.091 0.000 0.959 160 Y CA -0.360 57.816 58.100 0.128 0.000 1.528 160 Y CB 0.309 38.814 38.460 0.074 0.000 1.487 160 Y HN 0.472 nan 8.280 nan 0.000 0.403 161 F N 3.232 123.206 119.950 0.039 0.000 2.412 161 F HA 0.266 4.793 4.527 -0.000 0.000 0.348 161 F C -0.051 175.710 175.800 -0.065 0.000 1.102 161 F CA -0.711 57.255 58.000 -0.057 0.000 1.196 161 F CB 0.441 39.469 39.000 0.047 0.000 1.144 161 F HN 0.078 nan 8.300 nan 0.000 0.541 162 D N 4.982 124.913 120.400 -0.781 0.000 2.412 162 D HA 0.292 4.932 4.640 -0.000 0.000 0.224 162 D C 0.767 176.587 176.300 -0.801 0.000 1.093 162 D CA 0.130 53.787 54.000 -0.572 0.000 0.850 162 D CB 1.738 42.287 40.800 -0.419 0.000 1.046 162 D HN 0.765 nan 8.370 nan 0.000 0.507 163 A N 4.558 127.129 122.820 -0.415 0.000 1.927 163 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 163 A C 1.864 179.293 177.584 -0.258 0.000 1.185 163 A CA 1.509 53.401 52.037 -0.242 0.000 0.639 163 A CB -0.184 18.780 19.000 -0.060 0.000 0.820 163 A HN 0.709 nan 8.150 nan 0.000 0.451 164 E N -1.297 118.760 120.200 -0.238 0.000 2.014 164 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 164 E C 2.260 178.717 176.600 -0.238 0.000 0.980 164 E CA 1.535 57.818 56.400 -0.194 0.000 0.807 164 E CB -0.279 29.340 29.700 -0.134 0.000 0.770 164 E HN 0.794 nan 8.360 nan 0.000 0.451 165 T N -1.470 112.933 114.554 -0.251 0.000 3.113 165 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 165 T C 0.943 175.468 174.700 -0.292 0.000 1.143 165 T CA 0.502 62.474 62.100 -0.213 0.000 1.090 165 T CB 0.046 68.817 68.868 -0.161 0.000 0.922 165 T HN 0.045 nan 8.240 nan 0.000 0.521 166 R N 0.039 120.231 120.500 -0.513 0.000 4.000 166 R HA -0.110 4.230 4.340 -0.000 0.000 0.362 166 R C 0.742 176.903 176.300 -0.231 0.000 1.183 166 R CA 0.896 56.652 56.100 -0.573 0.000 1.011 166 R CB -1.968 27.864 30.300 -0.781 0.000 1.501 166 R HN 0.754 nan 8.270 nan 0.000 0.553 167 G N -1.619 106.999 108.800 -0.304 0.000 2.736 167 G HA2 0.556 4.516 3.960 -0.000 0.000 0.229 167 G HA3 0.556 4.516 3.960 -0.000 0.000 0.229 167 G C -0.727 174.007 174.900 -0.277 0.000 1.380 167 G CA -0.138 44.886 45.100 -0.126 0.000 1.040 167 G HN 0.058 nan 8.290 nan 0.000 0.568 168 V N 0.627 120.393 119.914 -0.247 0.000 2.439 168 V HA 0.222 4.342 4.120 -0.000 0.000 0.282 168 V C -0.432 175.524 176.094 -0.231 0.000 1.039 168 V CA -0.317 61.757 62.300 -0.376 0.000 0.913 168 V CB 1.549 33.100 31.823 -0.453 0.000 0.983 168 V HN 0.708 nan 8.190 nan 0.000 0.460 169 D N 3.252 123.523 120.400 -0.215 0.000 2.619 169 D HA 0.096 4.736 4.640 -0.000 0.000 0.224 169 D C 0.845 177.128 176.300 -0.029 0.000 1.133 169 D CA -0.204 53.733 54.000 -0.104 0.000 1.017 169 D CB -0.087 40.658 40.800 -0.092 0.000 1.077 169 D HN 0.405 nan 8.370 nan 0.000 0.503 170 F N 1.835 121.685 119.950 -0.167 0.000 2.126 170 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 170 F C 1.888 177.632 175.800 -0.093 0.000 1.096 170 F CA 1.424 59.340 58.000 -0.139 0.000 1.255 170 F CB 0.257 39.176 39.000 -0.134 0.000 0.997 170 F HN 0.274 nan 8.300 nan 0.000 0.479 171 E N -0.123 120.003 120.200 -0.124 0.000 2.106 171 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 171 E C 2.565 179.059 176.600 -0.175 0.000 0.984 171 E CA 1.099 57.385 56.400 -0.191 0.000 0.806 171 E CB -1.197 28.458 29.700 -0.076 0.000 0.750 171 E HN 0.498 nan 8.360 nan 0.000 0.458 172 G N 1.078 109.815 108.800 -0.106 0.000 2.403 172 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 172 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 172 G C 1.636 176.503 174.900 -0.055 0.000 1.154 172 G CA 0.795 45.861 45.100 -0.057 0.000 0.784 172 G HN 0.195 nan 8.290 nan 0.000 0.538 173 M N 0.220 119.768 119.600 -0.087 0.000 2.067 173 M HA -0.024 4.456 4.480 -0.000 0.000 0.260 173 M C 2.545 178.703 176.300 -0.238 0.000 1.069 173 M CA 1.675 56.929 55.300 -0.076 0.000 1.117 173 M CB -0.154 32.407 32.600 -0.065 0.000 1.334 173 M HN 0.098 nan 8.290 nan 0.000 0.407 174 K N 0.165 120.316 120.400 -0.415 0.000 2.097 174 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 174 K C 2.022 178.479 176.600 -0.238 0.000 1.049 174 K CA 1.373 57.420 56.287 -0.400 0.000 0.933 174 K CB -0.331 31.853 32.500 -0.527 0.000 0.717 174 K HN 0.471 nan 8.250 nan 0.000 0.442 175 A N 2.198 124.910 122.820 -0.180 0.000 1.865 175 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 175 A C 1.676 179.222 177.584 -0.062 0.000 1.191 175 A CA 2.089 54.065 52.037 -0.102 0.000 0.623 175 A CB -0.523 18.436 19.000 -0.069 0.000 0.826 175 A HN 0.191 nan 8.150 nan 0.000 0.444 176 D N 0.085 120.470 120.400 -0.025 0.000 2.117 176 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 176 D C 1.940 178.214 176.300 -0.043 0.000 0.982 176 D CA 0.923 54.956 54.000 0.054 0.000 0.828 176 D CB -0.431 40.477 40.800 0.180 0.000 0.967 176 D HN 0.430 nan 8.370 nan 0.000 0.464 177 L N 0.701 121.817 121.223 -0.180 0.000 2.191 177 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 177 L C 2.403 179.090 176.870 -0.305 0.000 1.103 177 L CA 0.827 55.448 54.840 -0.365 0.000 0.769 177 L CB -0.440 41.390 42.059 -0.381 0.000 0.908 177 L HN -0.012 nan 8.230 nan 0.000 0.438 178 A N 0.103 122.811 122.820 -0.187 0.000 2.070 178 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 178 A C 2.339 179.865 177.584 -0.097 0.000 1.159 178 A CA 1.492 53.450 52.037 -0.131 0.000 0.656 178 A CB -0.431 18.511 19.000 -0.095 0.000 0.800 178 A HN 0.402 nan 8.150 nan 0.000 0.453 179 A N -0.763 122.012 122.820 -0.076 0.000 2.238 179 A HA 0.572 4.892 4.320 -0.000 0.000 0.208 179 A C 1.320 178.929 177.584 0.042 0.000 1.177 179 A CA 0.704 52.753 52.037 0.019 0.000 0.804 179 A CB -0.771 18.300 19.000 0.118 0.000 0.823 179 A HN 0.862 nan 8.150 nan 0.000 0.482 180 A N 0.171 122.889 122.820 -0.170 0.000 2.327 180 A HA 0.578 4.898 4.320 -0.000 0.000 0.255 180 A C 0.332 177.911 177.584 -0.008 0.000 1.099 180 A CA -0.076 51.867 52.037 -0.158 0.000 0.801 180 A CB 0.385 19.081 19.000 -0.507 0.000 1.062 180 A HN 0.263 nan 8.150 nan 0.000 0.496 181 K N 0.214 120.650 120.400 0.059 0.000 2.399 181 K HA 0.388 4.708 4.320 -0.000 0.000 0.260 181 K C -0.964 175.661 176.600 0.042 0.000 1.049 181 K CA -1.090 55.225 56.287 0.046 0.000 0.890 181 K CB 0.537 33.078 32.500 0.068 0.000 1.430 181 K HN 0.552 nan 8.250 nan 0.000 0.459 182 K N 0.673 121.092 120.400 0.031 0.000 2.489 182 K HA 0.122 4.442 4.320 -0.000 0.000 0.278 182 K C 1.021 177.646 176.600 0.042 0.000 1.000 182 K CA 1.423 57.727 56.287 0.028 0.000 1.012 182 K CB 0.091 32.603 32.500 0.021 0.000 0.903 182 K HN 0.893 nan 8.250 nan 0.000 0.485 183 G N 3.060 111.886 108.800 0.044 0.000 2.284 183 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.230 183 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.230 183 G C 0.023 174.967 174.900 0.074 0.000 1.021 183 G CA 0.015 45.146 45.100 0.051 0.000 0.619 183 G HN 0.595 nan 8.290 nan 0.000 0.510 184 D N 0.615 121.076 120.400 0.102 0.000 2.357 184 D HA 0.544 5.184 4.640 -0.000 0.000 0.242 184 D C 0.632 177.024 176.300 0.153 0.000 1.153 184 D CA 0.261 54.362 54.000 0.169 0.000 0.918 184 D CB 0.942 41.915 40.800 0.289 0.000 1.181 184 D HN 0.455 nan 8.370 nan 0.000 0.435 185 M N 1.220 120.939 119.600 0.199 0.000 2.456 185 M HA 0.468 4.948 4.480 -0.000 0.000 0.324 185 M C -1.802 174.641 176.300 0.238 0.000 1.124 185 M CA -0.768 54.630 55.300 0.163 0.000 0.959 185 M CB 1.658 34.332 32.600 0.122 0.000 1.692 185 M HN 0.004 nan 8.290 nan 0.000 0.444 186 V N 5.770 125.783 119.914 0.165 0.000 2.444 186 V HA 0.413 4.533 4.120 -0.000 0.000 0.294 186 V C -0.602 175.598 176.094 0.177 0.000 1.022 186 V CA -0.718 61.698 62.300 0.193 0.000 0.850 186 V CB 1.621 33.460 31.823 0.027 0.000 0.992 186 V HN 0.825 nan 8.190 nan 0.000 0.426 187 L N 6.195 127.552 121.223 0.223 0.000 2.260 187 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 187 L C -1.043 175.961 176.870 0.223 0.000 1.057 187 L CA -0.325 54.591 54.840 0.126 0.000 0.811 187 L CB 0.699 42.731 42.059 -0.044 0.000 1.184 187 L HN 0.414 nan 8.230 nan 0.000 0.429 188 L N 4.448 125.794 121.223 0.206 0.000 2.342 188 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 188 L C -0.096 176.965 176.870 0.318 0.000 1.008 188 L CA -0.556 54.476 54.840 0.321 0.000 0.818 188 L CB 1.604 43.884 42.059 0.368 0.000 1.296 188 L HN 0.525 nan 8.230 nan 0.000 0.427 189 H N 1.665 120.914 119.070 0.300 0.000 2.652 189 H HA 0.118 4.674 4.556 -0.000 0.000 0.298 189 H C 1.002 176.591 175.328 0.435 0.000 1.076 189 H CA 0.111 56.341 56.048 0.303 0.000 1.360 189 H CB 1.669 31.602 29.762 0.284 0.000 1.421 189 H HN 0.896 nan 8.280 nan 0.000 0.464 190 G N 3.171 112.227 108.800 0.427 0.000 2.469 190 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 190 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 190 G C 0.670 175.809 174.900 0.398 0.000 1.150 190 G CA 1.220 46.524 45.100 0.340 0.000 0.763 190 G HN 0.753 nan 8.290 nan 0.000 0.561 191 C N -4.969 114.560 119.300 0.383 0.000 3.295 191 C HA 0.529 4.989 4.460 -0.000 0.000 0.341 191 C C 0.314 175.502 174.990 0.331 0.000 1.418 191 C CA -1.115 58.111 59.018 0.348 0.000 1.240 191 C CB 0.702 28.588 27.740 0.244 0.000 1.562 191 C HN 0.916 nan 8.230 nan 0.000 0.457 192 C N 2.349 121.805 119.300 0.260 0.000 2.527 192 C HA -0.123 4.337 4.460 -0.000 0.000 0.230 192 C C 0.526 175.614 174.990 0.163 0.000 1.222 192 C CA 1.085 60.198 59.018 0.159 0.000 2.667 192 C CB -3.120 24.651 27.740 0.053 0.000 1.625 192 C HN 1.166 nan 8.230 nan 0.000 0.361 193 H N 2.604 121.713 119.070 0.066 0.000 3.046 193 H HA 0.092 4.648 4.556 -0.000 0.000 0.303 193 H C 0.497 175.755 175.328 -0.117 0.000 1.002 193 H CA 0.767 56.746 56.048 -0.116 0.000 1.460 193 H CB 0.480 30.143 29.762 -0.165 0.000 1.493 193 H HN 0.719 nan 8.280 nan 0.000 0.559 194 N N 6.888 125.299 118.700 -0.481 0.000 2.426 194 N HA 0.127 4.867 4.740 -0.000 0.000 0.275 194 N C -2.061 173.123 175.510 -0.544 0.000 1.019 194 N CA -2.265 50.597 53.050 -0.314 0.000 0.941 194 N CB 1.549 39.964 38.487 -0.119 0.000 1.123 194 N HN 0.417 nan 8.380 nan 0.000 0.486 195 P HA 0.102 nan 4.420 nan 0.000 0.267 195 P C 0.663 177.857 177.300 -0.176 0.000 1.289 195 P CA 0.294 63.218 63.100 -0.294 0.000 0.866 195 P CB 0.288 31.827 31.700 -0.267 0.000 1.309 196 T N -4.318 110.171 114.554 -0.108 0.000 2.937 196 T HA 0.196 4.546 4.350 -0.000 0.000 0.260 196 T C 1.786 176.326 174.700 -0.266 0.000 1.051 196 T CA 1.486 63.431 62.100 -0.258 0.000 1.141 196 T CB -1.072 67.538 68.868 -0.430 0.000 0.879 196 T HN 0.172 nan 8.240 nan 0.000 0.459 197 G N 1.536 110.287 108.800 -0.081 0.000 2.217 197 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.246 197 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.246 197 G C 0.328 175.129 174.900 -0.164 0.000 0.990 197 G CA 0.033 45.062 45.100 -0.119 0.000 0.627 197 G HN 1.258 nan 8.290 nan 0.000 0.522 198 A N 0.343 123.058 122.820 -0.176 0.000 2.401 198 A HA 0.648 4.968 4.320 -0.000 0.000 0.259 198 A C 0.250 177.932 177.584 0.164 0.000 1.103 198 A CA 0.157 52.221 52.037 0.045 0.000 0.789 198 A CB 0.287 19.377 19.000 0.150 0.000 1.035 198 A HN 0.427 nan 8.150 nan 0.000 0.491 199 N N 1.188 119.977 118.700 0.150 0.000 2.284 199 N HA 0.440 5.180 4.740 -0.000 0.000 0.289 199 N C -1.140 174.426 175.510 0.093 0.000 1.179 199 N CA -0.565 52.606 53.050 0.202 0.000 0.774 199 N CB 1.542 40.169 38.487 0.234 0.000 1.548 199 N HN 0.551 nan 8.380 nan 0.000 0.473 200 L N 0.967 122.238 121.223 0.080 0.000 2.395 200 L HA 0.292 4.632 4.340 -0.000 0.000 0.269 200 L C 1.416 178.315 176.870 0.047 0.000 1.133 200 L CA -0.346 54.417 54.840 -0.129 0.000 0.812 200 L CB 0.704 42.428 42.059 -0.557 0.000 1.125 200 L HN 0.654 nan 8.230 nan 0.000 0.452 201 T N -1.034 113.497 114.554 -0.038 0.000 2.824 201 T HA 0.248 4.598 4.350 -0.000 0.000 0.277 201 T C 1.172 176.011 174.700 0.230 0.000 0.975 201 T CA -0.749 61.399 62.100 0.080 0.000 0.966 201 T CB 1.075 69.927 68.868 -0.028 0.000 1.054 201 T HN 0.515 nan 8.240 nan 0.000 0.533 202 L N 0.186 121.544 121.223 0.224 0.000 2.083 202 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 202 L C 2.365 179.344 176.870 0.182 0.000 1.083 202 L CA 1.596 56.585 54.840 0.247 0.000 0.752 202 L CB -0.414 41.713 42.059 0.113 0.000 0.899 202 L HN 0.755 nan 8.230 nan 0.000 0.433 203 D N -0.749 119.691 120.400 0.067 0.000 2.144 203 D HA -0.209 4.431 4.640 -0.000 0.000 0.200 203 D C 2.088 178.374 176.300 -0.023 0.000 0.978 203 D CA 1.148 55.158 54.000 0.017 0.000 0.833 203 D CB -0.053 40.728 40.800 -0.031 0.000 0.961 203 D HN 0.524 nan 8.370 nan 0.000 0.470 204 Q N -0.399 119.301 119.800 -0.166 0.000 2.119 204 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 204 Q C 2.134 178.121 176.000 -0.022 0.000 0.972 204 Q CA 0.936 56.505 55.803 -0.390 0.000 0.847 204 Q CB -0.132 28.098 28.738 -0.847 0.000 0.903 204 Q HN 0.402 nan 8.270 nan 0.000 0.433 205 W N 0.774 122.082 121.300 0.013 0.000 2.358 205 W HA -0.181 4.479 4.660 -0.000 0.000 0.303 205 W C 2.533 179.092 176.519 0.066 0.000 1.208 205 W CA 1.182 58.565 57.345 0.065 0.000 1.274 205 W CB -0.232 29.257 29.460 0.048 0.000 1.138 205 W HN 0.154 nan 8.180 nan 0.000 0.515 206 A N 0.088 123.077 122.820 0.282 0.000 1.972 206 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 206 A C 1.750 179.425 177.584 0.152 0.000 1.169 206 A CA 1.844 53.989 52.037 0.180 0.000 0.635 206 A CB -0.662 18.412 19.000 0.123 0.000 0.810 206 A HN 0.404 nan 8.150 nan 0.000 0.446 207 E N -0.489 119.816 120.200 0.175 0.000 2.107 207 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 207 E C 1.777 178.453 176.600 0.127 0.000 0.982 207 E CA 0.796 57.301 56.400 0.176 0.000 0.809 207 E CB -0.153 29.745 29.700 0.329 0.000 0.756 207 E HN 0.508 nan 8.360 nan 0.000 0.459 208 I N 1.216 121.875 120.570 0.149 0.000 2.315 208 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 208 I C 2.484 178.639 176.117 0.064 0.000 1.117 208 I CA 0.946 62.279 61.300 0.054 0.000 1.404 208 I CB -1.379 36.629 38.000 0.015 0.000 1.071 208 I HN -0.000 nan 8.210 nan 0.000 0.419 209 A N 1.192 124.090 122.820 0.130 0.000 1.908 209 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 209 A C 2.560 180.178 177.584 0.055 0.000 1.181 209 A CA 2.511 54.613 52.037 0.109 0.000 0.627 209 A CB -0.886 18.191 19.000 0.128 0.000 0.818 209 A HN 0.560 nan 8.150 nan 0.000 0.445 210 S N -0.063 115.666 115.700 0.049 0.000 2.382 210 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 210 S C 1.819 176.417 174.600 -0.003 0.000 1.027 210 S CA 1.355 59.569 58.200 0.024 0.000 0.991 210 S CB -0.545 62.671 63.200 0.027 0.000 0.823 210 S HN 0.346 nan 8.310 nan 0.000 0.469 211 I N 2.252 122.809 120.570 -0.022 0.000 2.142 211 I HA -0.082 4.088 4.170 -0.000 0.000 0.240 211 I C 2.570 178.650 176.117 -0.061 0.000 1.078 211 I CA 1.092 62.356 61.300 -0.061 0.000 1.343 211 I CB -1.467 36.467 38.000 -0.109 0.000 1.046 211 I HN 0.329 nan 8.210 nan 0.000 0.405 212 L N 0.294 121.487 121.223 -0.049 0.000 2.042 212 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 212 L C 2.588 179.446 176.870 -0.019 0.000 1.076 212 L CA 1.564 56.380 54.840 -0.041 0.000 0.749 212 L CB -0.593 41.460 42.059 -0.009 0.000 0.893 212 L HN 0.337 nan 8.230 nan 0.000 0.432 213 E N 1.018 121.216 120.200 -0.003 0.000 2.118 213 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 213 E C 2.133 178.729 176.600 -0.006 0.000 0.992 213 E CA 1.723 58.125 56.400 0.002 0.000 0.804 213 E CB 0.096 29.802 29.700 0.011 0.000 0.741 213 E HN 0.477 nan 8.360 nan 0.000 0.458 214 K N -0.149 120.242 120.400 -0.015 0.000 2.305 214 K HA -0.031 4.289 4.320 -0.000 0.000 0.199 214 K C 1.861 178.447 176.600 -0.023 0.000 1.047 214 K CA 1.594 57.871 56.287 -0.017 0.000 0.976 214 K CB -0.013 32.474 32.500 -0.021 0.000 0.765 214 K HN 0.108 nan 8.250 nan 0.000 0.474 215 T N -3.800 110.733 114.554 -0.035 0.000 3.051 215 T HA 0.226 4.576 4.350 -0.000 0.000 0.255 215 T C 1.559 176.245 174.700 -0.023 0.000 1.085 215 T CA 0.292 62.368 62.100 -0.040 0.000 1.109 215 T CB 0.017 68.838 68.868 -0.078 0.000 0.921 215 T HN 0.421 nan 8.240 nan 0.000 0.488 216 G N 1.606 110.397 108.800 -0.016 0.000 2.148 216 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.254 216 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.254 216 G C 0.226 175.128 174.900 0.003 0.000 0.981 216 G CA -0.061 45.038 45.100 -0.002 0.000 0.670 216 G HN 1.205 nan 8.290 nan 0.000 0.528 217 A N -0.021 122.792 122.820 -0.012 0.000 2.409 217 A HA 0.671 4.991 4.320 -0.000 0.000 0.267 217 A C 0.481 178.075 177.584 0.016 0.000 1.127 217 A CA -0.087 51.948 52.037 -0.002 0.000 0.795 217 A CB 0.685 19.652 19.000 -0.055 0.000 1.061 217 A HN 1.564 nan 8.150 nan 0.000 0.502 218 L N 6.192 127.438 121.223 0.039 0.000 2.418 218 L HA 0.377 4.717 4.340 -0.000 0.000 0.274 218 L C -2.082 174.823 176.870 0.058 0.000 1.135 218 L CA -1.458 53.410 54.840 0.046 0.000 0.870 218 L CB 0.401 42.490 42.059 0.050 0.000 1.154 218 L HN 0.441 nan 8.230 nan 0.000 0.462 219 P HA 0.202 nan 4.420 nan 0.000 0.290 219 P C -1.340 176.009 177.300 0.082 0.000 1.276 219 P CA -0.639 62.509 63.100 0.080 0.000 0.808 219 P CB 1.745 33.502 31.700 0.094 0.000 0.966 220 L N 5.158 126.433 121.223 0.087 0.000 2.298 220 L HA 0.468 4.808 4.340 -0.000 0.000 0.284 220 L C -0.688 176.229 176.870 0.079 0.000 1.013 220 L CA -0.668 54.215 54.840 0.070 0.000 0.824 220 L CB 0.507 42.599 42.059 0.054 0.000 1.221 220 L HN 0.248 nan 8.230 nan 0.000 0.418 221 I N 4.478 125.097 120.570 0.081 0.000 2.321 221 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 221 I C -0.423 175.732 176.117 0.063 0.000 0.998 221 I CA -0.457 60.904 61.300 0.101 0.000 1.227 221 I CB 1.344 39.404 38.000 0.100 0.000 1.368 221 I HN 0.545 nan 8.210 nan 0.000 0.466 222 D N 7.507 127.932 120.400 0.041 0.000 2.380 222 D HA 0.230 4.870 4.640 -0.000 0.000 0.230 222 D C -1.041 175.287 176.300 0.047 0.000 1.154 222 D CA -0.345 53.660 54.000 0.009 0.000 0.859 222 D CB 1.153 41.906 40.800 -0.078 0.000 1.045 222 D HN 0.202 nan 8.370 nan 0.000 0.495 223 L N 4.129 125.376 121.223 0.041 0.000 2.335 223 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 223 L C 0.480 177.356 176.870 0.010 0.000 1.037 223 L CA -0.198 54.678 54.840 0.061 0.000 0.895 223 L CB 0.996 43.088 42.059 0.055 0.000 1.266 223 L HN 0.461 nan 8.230 nan 0.000 0.439 224 A N 3.688 126.495 122.820 -0.021 0.000 2.259 224 A HA 0.234 4.554 4.320 -0.000 0.000 0.213 224 A C 0.362 177.709 177.584 -0.394 0.000 1.209 224 A CA 0.296 52.187 52.037 -0.244 0.000 0.910 224 A CB 0.119 18.856 19.000 -0.438 0.000 0.946 224 A HN 0.605 nan 8.150 nan 0.000 0.497 225 Y N 0.388 120.725 120.300 0.061 0.000 2.699 225 Y HA 0.308 4.858 4.550 -0.000 0.000 0.282 225 Y C 0.569 176.622 175.900 0.254 0.000 1.058 225 Y CA -0.629 57.548 58.100 0.128 0.000 1.194 225 Y CB 0.196 38.672 38.460 0.027 0.000 1.193 225 Y HN 0.353 nan 8.280 nan 0.000 0.562 226 Q N 1.047 121.013 119.800 0.275 0.000 2.244 226 Q HA 0.327 4.667 4.340 -0.000 0.000 0.276 226 Q C 1.018 177.116 176.000 0.163 0.000 1.122 226 Q CA 1.345 57.268 55.803 0.199 0.000 0.920 226 Q CB 0.093 28.915 28.738 0.140 0.000 1.186 226 Q HN 0.830 nan 8.270 nan 0.000 0.393 227 G N 3.367 112.219 108.800 0.087 0.000 2.284 227 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.201 227 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.201 227 G C 0.142 174.910 174.900 -0.221 0.000 0.998 227 G CA -0.092 44.929 45.100 -0.132 0.000 0.651 227 G HN 0.638 nan 8.290 nan 0.000 0.489 228 F N 1.863 121.811 119.950 -0.002 0.000 2.776 228 F HA 0.393 4.920 4.527 -0.000 0.000 0.300 228 F C 2.313 178.107 175.800 -0.011 0.000 1.116 228 F CA 1.091 59.085 58.000 -0.009 0.000 1.375 228 F CB 0.419 39.459 39.000 0.066 0.000 1.109 228 F HN 0.329 nan 8.300 nan 0.000 0.585 229 G N -0.240 108.656 108.800 0.158 0.000 2.558 229 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.218 229 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.218 229 G C 1.012 175.942 174.900 0.051 0.000 1.567 229 G CA 0.454 45.621 45.100 0.112 0.000 0.950 229 G HN 0.125 nan 8.290 nan 0.000 0.517 230 D N 0.091 120.513 120.400 0.036 0.000 2.423 230 D HA 0.327 4.967 4.640 -0.000 0.000 0.208 230 D C 1.124 177.403 176.300 -0.034 0.000 1.068 230 D CA 1.006 55.010 54.000 0.006 0.000 0.860 230 D CB 1.787 42.601 40.800 0.023 0.000 0.992 230 D HN 0.528 nan 8.370 nan 0.000 0.504 234 E N 0.825 121.000 120.200 -0.042 0.000 2.076 234 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 234 E C 1.498 178.081 176.600 -0.030 0.000 0.979 234 E CA 1.330 57.712 56.400 -0.029 0.000 0.807 234 E CB 0.193 29.875 29.700 -0.030 0.000 0.761 234 E HN 0.320 nan 8.360 nan 0.000 0.454 235 E N 1.593 121.777 120.200 -0.028 0.000 2.153 235 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 235 E C 1.196 177.791 176.600 -0.008 0.000 0.988 235 E CA 1.063 57.452 56.400 -0.018 0.000 0.811 235 E CB -0.087 29.609 29.700 -0.008 0.000 0.746 235 E HN 0.069 nan 8.360 nan 0.000 0.466 236 D N -0.751 119.652 120.400 0.005 0.000 2.348 236 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 236 D C 0.998 177.299 176.300 0.001 0.000 0.970 236 D CA 1.075 55.097 54.000 0.036 0.000 0.889 236 D CB 0.140 40.984 40.800 0.073 0.000 0.912 236 D HN 0.305 nan 8.370 nan 0.000 0.524 237 A N 0.078 122.877 122.820 -0.035 0.000 2.348 237 A HA 0.459 4.779 4.320 -0.000 0.000 0.224 237 A C 2.079 179.579 177.584 -0.140 0.000 1.227 237 A CA 0.650 52.644 52.037 -0.071 0.000 0.885 237 A CB 0.166 19.144 19.000 -0.036 0.000 0.933 237 A HN 0.117 nan 8.150 nan 0.000 0.506 238 A N 0.182 122.919 122.820 -0.138 0.000 1.908 238 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 238 A C 2.281 179.679 177.584 -0.311 0.000 1.181 238 A CA 2.005 53.943 52.037 -0.164 0.000 0.627 238 A CB -1.173 17.765 19.000 -0.103 0.000 0.818 238 A HN 0.691 nan 8.150 nan 0.000 0.445 239 G N -1.270 107.194 108.800 -0.561 0.000 2.402 239 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 239 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 239 G C 1.569 175.872 174.900 -0.995 0.000 1.162 239 G CA 1.602 45.946 45.100 -1.260 0.000 0.777 239 G HN 0.432 nan 8.290 nan 0.000 0.539 240 T N 0.670 114.828 114.554 -0.660 0.000 2.788 240 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 240 T C 2.460 177.030 174.700 -0.217 0.000 1.044 240 T CA 1.093 62.977 62.100 -0.360 0.000 1.139 240 T CB -0.127 68.624 68.868 -0.195 0.000 0.867 240 T HN 0.265 nan 8.240 nan 0.000 0.454 241 R N 0.322 120.704 120.500 -0.197 0.000 2.148 241 R HA 0.116 4.456 4.340 -0.000 0.000 0.223 241 R C 2.333 178.574 176.300 -0.099 0.000 1.088 241 R CA 0.478 56.508 56.100 -0.117 0.000 0.985 241 R CB -0.303 29.939 30.300 -0.096 0.000 0.880 241 R HN 0.244 nan 8.270 nan 0.000 0.451 242 L N 1.020 122.161 121.223 -0.137 0.000 2.023 242 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 242 L C 2.014 178.871 176.870 -0.021 0.000 1.073 242 L CA 1.716 56.515 54.840 -0.067 0.000 0.745 242 L CB -0.497 41.526 42.059 -0.060 0.000 0.900 242 L HN 0.118 nan 8.230 nan 0.000 0.435 243 I N 0.788 121.341 120.570 -0.028 0.000 2.208 243 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 243 I C 2.885 179.012 176.117 0.016 0.000 1.097 243 I CA 1.469 62.792 61.300 0.039 0.000 1.363 243 I CB -1.806 36.239 38.000 0.074 0.000 1.051 243 I HN 0.229 nan 8.210 nan 0.000 0.413 244 A N 0.963 123.774 122.820 -0.016 0.000 1.972 244 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 244 A C 2.414 179.995 177.584 -0.005 0.000 1.169 244 A CA 2.084 54.114 52.037 -0.011 0.000 0.635 244 A CB -0.723 18.261 19.000 -0.026 0.000 0.810 244 A HN 0.578 nan 8.150 nan 0.000 0.446 245 S N -1.415 114.280 115.700 -0.008 0.000 2.527 245 S HA 0.059 4.529 4.470 -0.000 0.000 0.222 245 S C 1.725 176.330 174.600 0.007 0.000 0.985 245 S CA 0.371 58.569 58.200 -0.003 0.000 0.921 245 S CB -0.017 63.178 63.200 -0.007 0.000 0.772 245 S HN 0.558 nan 8.310 nan 0.000 0.529 246 R N 0.408 120.917 120.500 0.016 0.000 2.164 246 R HA 0.387 4.727 4.340 -0.000 0.000 0.198 246 R C 0.111 176.424 176.300 0.022 0.000 1.028 246 R CA 0.174 56.288 56.100 0.023 0.000 1.083 246 R CB -0.178 30.144 30.300 0.036 0.000 1.026 246 R HN 0.375 nan 8.270 nan 0.000 0.514 247 I N 5.071 125.657 120.570 0.026 0.000 2.325 247 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 247 I C -1.259 174.869 176.117 0.019 0.000 1.019 247 I CA -2.451 58.864 61.300 0.025 0.000 1.302 247 I CB 0.794 38.815 38.000 0.034 0.000 1.401 247 I HN -0.105 nan 8.210 nan 0.000 0.485 248 P HA -0.118 nan 4.420 nan 0.000 0.220 248 P C 0.313 177.621 177.300 0.014 0.000 1.148 248 P CA 1.138 64.246 63.100 0.013 0.000 0.803 248 P CB 0.769 32.475 31.700 0.011 0.000 0.782 249 E N -0.010 120.201 120.200 0.018 0.000 2.220 249 E HA 0.444 4.794 4.350 -0.000 0.000 0.256 249 E C -1.507 175.109 176.600 0.026 0.000 0.881 249 E CA -0.621 55.791 56.400 0.020 0.000 0.766 249 E CB 1.708 31.420 29.700 0.021 0.000 1.187 249 E HN -0.240 nan 8.360 nan 0.000 0.419 250 V N 4.151 124.081 119.914 0.026 0.000 2.925 250 V HA 0.471 4.591 4.120 -0.000 0.000 0.311 250 V C -1.069 175.044 176.094 0.032 0.000 1.104 250 V CA -0.935 61.384 62.300 0.032 0.000 0.954 250 V CB 1.912 33.752 31.823 0.028 0.000 1.022 250 V HN 0.544 nan 8.190 nan 0.000 0.427 251 L N 4.321 125.568 121.223 0.041 0.000 2.362 251 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 251 L C -0.681 176.215 176.870 0.043 0.000 0.998 251 L CA -0.048 54.817 54.840 0.042 0.000 0.820 251 L CB 1.638 43.726 42.059 0.048 0.000 1.270 251 L HN 0.503 nan 8.230 nan 0.000 0.415 252 I N 3.081 123.673 120.570 0.036 0.000 2.447 252 I HA 0.593 4.763 4.170 -0.000 0.000 0.287 252 I C -0.293 175.846 176.117 0.038 0.000 1.023 252 I CA -0.677 60.643 61.300 0.034 0.000 1.083 252 I CB 2.021 40.031 38.000 0.018 0.000 1.245 252 I HN 0.654 nan 8.210 nan 0.000 0.434 253 A N 5.477 128.324 122.820 0.045 0.000 2.280 253 A HA 0.840 5.160 4.320 -0.000 0.000 0.320 253 A C -0.023 177.583 177.584 0.036 0.000 1.366 253 A CA -0.384 51.684 52.037 0.051 0.000 0.938 253 A CB 0.482 19.523 19.000 0.068 0.000 1.157 253 A HN 0.765 nan 8.150 nan 0.000 0.536 254 A N 2.033 124.873 122.820 0.034 0.000 2.312 254 A HA 0.778 5.098 4.320 -0.000 0.000 0.328 254 A C 0.256 177.855 177.584 0.025 0.000 1.158 254 A CA -0.320 51.732 52.037 0.024 0.000 0.821 254 A CB 1.021 20.032 19.000 0.019 0.000 1.170 254 A HN 1.182 nan 8.150 nan 0.000 0.490 255 S N 0.161 115.860 115.700 -0.002 0.000 2.482 255 S HA 0.401 4.870 4.470 -0.000 0.000 0.303 255 S C 0.132 174.743 174.600 0.018 0.000 1.091 255 S CA -0.575 57.611 58.200 -0.022 0.000 1.057 255 S CB 0.889 64.018 63.200 -0.119 0.000 1.031 255 S HN 0.748 nan 8.310 nan 0.000 0.485 256 C N 3.041 122.362 119.300 0.035 0.000 2.906 256 C HA 0.228 4.688 4.460 -0.000 0.000 0.274 256 C C 2.522 177.532 174.990 0.033 0.000 1.257 256 C CA -0.175 58.913 59.018 0.116 0.000 1.695 256 C CB -1.391 26.340 27.740 -0.016 0.000 1.958 256 C HN 0.900 nan 8.230 nan 0.000 0.619 257 S N 2.050 117.688 115.700 -0.104 0.000 2.359 257 S HA -0.213 4.257 4.470 -0.000 0.000 0.223 257 S C 1.875 176.077 174.600 -0.665 0.000 1.039 257 S CA 1.781 59.805 58.200 -0.295 0.000 1.042 257 S CB -0.060 63.035 63.200 -0.175 0.000 0.915 257 S HN 0.662 nan 8.310 nan 0.000 0.439 258 K N 1.702 121.849 120.400 -0.421 0.000 2.078 258 K HA 0.071 4.391 4.320 -0.000 0.000 0.203 258 K C 1.768 178.459 176.600 0.152 0.000 1.043 258 K CA 1.088 57.192 56.287 -0.305 0.000 0.960 258 K CB -0.302 31.973 32.500 -0.374 0.000 0.761 258 K HN 0.388 nan 8.250 nan 0.000 0.448 259 N N 0.159 119.039 118.700 0.299 0.000 2.520 259 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 259 N C 0.762 176.431 175.510 0.266 0.000 1.068 259 N CA 1.216 54.485 53.050 0.365 0.000 0.911 259 N CB -0.231 38.449 38.487 0.322 0.000 0.961 259 N HN 0.153 nan 8.380 nan 0.000 0.446 260 F N -0.895 119.184 119.950 0.215 0.000 2.706 260 F HA 0.409 4.936 4.527 -0.000 0.000 0.308 260 F C 1.586 177.432 175.800 0.076 0.000 1.095 260 F CA 0.076 58.166 58.000 0.150 0.000 1.244 260 F CB 0.443 39.384 39.000 -0.098 0.000 1.063 260 F HN 0.152 nan 8.300 nan 0.000 0.582 261 G N 2.275 111.142 108.800 0.112 0.000 2.249 261 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.273 261 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.273 261 G C 0.508 175.450 174.900 0.070 0.000 1.036 261 G CA 0.618 45.748 45.100 0.049 0.000 0.824 261 G HN 0.608 nan 8.290 nan 0.000 0.504 262 I N -3.682 116.849 120.570 -0.066 0.000 3.399 262 I HA 0.426 4.596 4.170 -0.000 0.000 0.345 262 I C 1.641 177.783 176.117 0.042 0.000 1.512 262 I CA -1.227 60.097 61.300 0.041 0.000 1.047 262 I CB -0.369 37.634 38.000 0.006 0.000 1.552 262 I HN 0.032 nan 8.210 nan 0.000 0.494 263 Y N 2.676 123.029 120.300 0.088 0.000 2.029 263 Y HA -0.345 4.205 4.550 -0.000 0.000 0.269 263 Y C 2.840 178.767 175.900 0.045 0.000 1.201 263 Y CA 2.564 60.703 58.100 0.065 0.000 1.115 263 Y CB -0.721 37.784 38.460 0.076 0.000 0.945 263 Y HN 0.434 nan 8.280 nan 0.000 0.497 264 R N 0.403 121.046 120.500 0.237 0.000 2.280 264 R HA -0.062 4.278 4.340 -0.000 0.000 0.207 264 R C 1.272 177.618 176.300 0.077 0.000 1.043 264 R CA 1.232 57.408 56.100 0.127 0.000 1.006 264 R CB -0.342 30.019 30.300 0.102 0.000 0.885 264 R HN 0.300 nan 8.270 nan 0.000 0.467 265 E N 1.332 121.574 120.200 0.071 0.000 2.208 265 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 265 E C -0.130 176.462 176.600 -0.013 0.000 0.988 265 E CA 0.257 56.677 56.400 0.033 0.000 0.828 265 E CB 0.051 29.767 29.700 0.025 0.000 0.763 265 E HN 0.177 nan 8.360 nan 0.000 0.478 266 R N 0.358 120.853 120.500 -0.008 0.000 2.958 266 R HA -0.115 4.225 4.340 -0.000 0.000 0.277 266 R C -0.272 175.981 176.300 -0.078 0.000 0.940 266 R CA 0.845 56.926 56.100 -0.030 0.000 0.664 266 R CB -3.132 27.143 30.300 -0.041 0.000 1.551 266 R HN 0.290 nan 8.270 nan 0.000 0.455 267 T N -1.366 113.140 114.554 -0.080 0.000 2.921 267 T HA 0.798 5.148 4.350 -0.000 0.000 0.297 267 T C 0.208 174.894 174.700 -0.023 0.000 1.013 267 T CA 0.364 62.391 62.100 -0.123 0.000 0.990 267 T CB 2.218 70.936 68.868 -0.250 0.000 1.023 267 T HN 0.766 nan 8.240 nan 0.000 0.447 268 G N 1.175 110.011 108.800 0.059 0.000 2.561 268 G HA2 0.705 4.665 3.960 -0.000 0.000 0.310 268 G HA3 0.705 4.665 3.960 -0.000 0.000 0.310 268 G C -0.831 174.229 174.900 0.266 0.000 1.292 268 G CA -0.112 45.078 45.100 0.150 0.000 0.811 268 G HN 1.818 nan 8.290 nan 0.000 0.482 269 C N -1.509 117.902 119.300 0.185 0.000 3.307 269 C HA 0.815 5.275 4.460 -0.000 0.000 0.333 269 C C -1.625 173.420 174.990 0.093 0.000 1.291 269 C CA -0.979 58.146 59.018 0.178 0.000 1.273 269 C CB 0.744 28.583 27.740 0.165 0.000 1.580 269 C HN 1.295 nan 8.230 nan 0.000 0.481 270 L N 2.117 123.394 121.223 0.091 0.000 2.313 270 L HA 0.826 5.166 4.340 -0.000 0.000 0.283 270 L C -0.933 175.963 176.870 0.044 0.000 1.013 270 L CA -0.669 54.211 54.840 0.067 0.000 0.816 270 L CB 1.232 43.338 42.059 0.079 0.000 1.236 270 L HN 0.825 nan 8.230 nan 0.000 0.419 271 L N 5.572 126.811 121.223 0.028 0.000 2.305 271 L HA 0.756 5.096 4.340 -0.000 0.000 0.284 271 L C -0.056 176.827 176.870 0.022 0.000 1.013 271 L CA -0.599 54.250 54.840 0.014 0.000 0.819 271 L CB 1.700 43.756 42.059 -0.005 0.000 1.227 271 L HN 0.797 nan 8.230 nan 0.000 0.417 272 A N 5.864 128.698 122.820 0.022 0.000 2.322 272 A HA 0.632 4.952 4.320 -0.000 0.000 0.327 272 A C -0.420 177.174 177.584 0.017 0.000 1.394 272 A CA -0.460 51.592 52.037 0.024 0.000 0.921 272 A CB 0.151 19.169 19.000 0.029 0.000 1.153 272 A HN 0.663 nan 8.150 nan 0.000 0.523 273 L N 2.529 123.761 121.223 0.015 0.000 2.281 273 L HA 0.355 4.695 4.340 -0.000 0.000 0.285 273 L C -0.330 176.548 176.870 0.013 0.000 1.074 273 L CA -0.420 54.426 54.840 0.011 0.000 0.817 273 L CB 0.628 42.692 42.059 0.009 0.000 1.168 273 L HN 0.660 nan 8.230 nan 0.000 0.434 274 C N 1.289 120.595 119.300 0.011 0.000 2.595 274 C HA 0.603 5.063 4.460 -0.000 0.000 0.338 274 C C 1.498 176.493 174.990 0.008 0.000 1.219 274 C CA -0.561 58.464 59.018 0.011 0.000 1.811 274 C CB 1.536 29.282 27.740 0.010 0.000 2.313 274 C HN 0.938 nan 8.230 nan 0.000 0.499 275 A N 0.127 122.952 122.820 0.008 0.000 2.072 275 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 275 A C 0.312 177.899 177.584 0.005 0.000 1.156 275 A CA 1.356 53.397 52.037 0.007 0.000 0.701 275 A CB -0.441 18.563 19.000 0.007 0.000 0.816 275 A HN 1.013 nan 8.150 nan 0.000 0.458 276 D N -4.701 115.702 120.400 0.005 0.000 2.643 276 D HA 0.574 5.214 4.640 -0.000 0.000 0.283 276 D C 0.504 176.806 176.300 0.004 0.000 1.242 276 D CA -0.092 53.910 54.000 0.004 0.000 0.863 276 D CB 0.916 41.717 40.800 0.003 0.000 1.382 276 D HN -0.042 nan 8.370 nan 0.000 0.444 277 A N 0.218 123.040 122.820 0.003 0.000 1.933 277 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 277 A C 2.162 179.748 177.584 0.003 0.000 1.175 277 A CA 2.145 54.185 52.037 0.004 0.000 0.628 277 A CB -1.341 17.661 19.000 0.004 0.000 0.814 277 A HN 0.710 nan 8.150 nan 0.000 0.444 278 A N 0.037 122.858 122.820 0.002 0.000 1.865 278 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 278 A C 2.451 180.035 177.584 0.000 0.000 1.191 278 A CA 2.798 54.835 52.037 0.000 0.000 0.623 278 A CB -1.558 17.442 19.000 -0.001 0.000 0.826 278 A HN 0.745 nan 8.150 nan 0.000 0.444 279 T N -2.203 112.352 114.554 0.002 0.000 2.867 279 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 279 T C 1.964 176.667 174.700 0.005 0.000 1.057 279 T CA 1.175 63.276 62.100 0.002 0.000 1.136 279 T CB -0.345 68.525 68.868 0.004 0.000 0.874 279 T HN 0.474 nan 8.240 nan 0.000 0.466 280 R N 1.085 121.589 120.500 0.006 0.000 2.083 280 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 280 R C 2.373 178.680 176.300 0.010 0.000 1.137 280 R CA 1.613 57.718 56.100 0.009 0.000 0.951 280 R CB -0.207 30.098 30.300 0.009 0.000 0.851 280 R HN 0.377 nan 8.270 nan 0.000 0.434 281 E N 0.781 120.986 120.200 0.007 0.000 2.110 281 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 281 E C 2.122 178.724 176.600 0.004 0.000 0.988 281 E CA 0.789 57.193 56.400 0.007 0.000 0.804 281 E CB -0.249 29.453 29.700 0.004 0.000 0.745 281 E HN 0.403 nan 8.360 nan 0.000 0.458 282 L N 0.331 121.553 121.223 -0.001 0.000 1.994 282 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 282 L C 2.478 179.347 176.870 -0.002 0.000 1.071 282 L CA 1.237 56.072 54.840 -0.010 0.000 0.745 282 L CB -0.441 41.611 42.059 -0.012 0.000 0.892 282 L HN 0.082 nan 8.230 nan 0.000 0.431 283 A N -0.700 122.125 122.820 0.008 0.000 1.877 283 A HA -0.307 4.013 4.320 -0.000 0.000 0.216 283 A C 2.128 179.729 177.584 0.029 0.000 1.186 283 A CA 1.934 53.983 52.037 0.019 0.000 0.620 283 A CB -0.641 18.372 19.000 0.021 0.000 0.822 283 A HN 0.420 nan 8.150 nan 0.000 0.443 284 Q N -0.095 119.722 119.800 0.027 0.000 2.096 284 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 284 Q C 1.924 177.950 176.000 0.042 0.000 0.982 284 Q CA 2.253 58.077 55.803 0.036 0.000 0.850 284 Q CB -0.980 27.777 28.738 0.032 0.000 0.901 284 Q HN 0.532 nan 8.270 nan 0.000 0.422 285 G N -0.406 108.412 108.800 0.030 0.000 2.404 285 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 285 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 285 G C 1.458 176.391 174.900 0.055 0.000 1.174 285 G CA 0.853 45.971 45.100 0.031 0.000 0.780 285 G HN 0.517 nan 8.290 nan 0.000 0.537 286 A N 0.313 123.153 122.820 0.033 0.000 1.969 286 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 286 A C 2.429 180.100 177.584 0.145 0.000 1.169 286 A CA 1.638 53.714 52.037 0.064 0.000 0.635 286 A CB -0.303 18.707 19.000 0.017 0.000 0.810 286 A HN 0.393 nan 8.150 nan 0.000 0.445 287 M N -0.751 118.904 119.600 0.092 0.000 2.156 287 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 287 M C 2.530 178.869 176.300 0.065 0.000 1.067 287 M CA 1.355 56.702 55.300 0.078 0.000 1.131 287 M CB -0.295 32.344 32.600 0.064 0.000 1.368 287 M HN 0.460 nan 8.290 nan 0.000 0.416 288 A N -0.016 122.847 122.820 0.072 0.000 1.898 288 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 288 A C 1.997 179.589 177.584 0.013 0.000 1.181 288 A CA 1.343 53.404 52.037 0.039 0.000 0.620 288 A CB -1.035 17.996 19.000 0.051 0.000 0.819 288 A HN 0.556 nan 8.150 nan 0.000 0.442 289 F N 0.199 120.103 119.950 -0.076 0.000 2.171 289 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 289 F C 1.701 177.429 175.800 -0.119 0.000 1.090 289 F CA 1.468 59.412 58.000 -0.093 0.000 1.293 289 F CB -0.213 38.748 39.000 -0.064 0.000 1.013 289 F HN 0.141 nan 8.300 nan 0.000 0.486 290 L N 0.903 122.087 121.223 -0.064 0.000 2.083 290 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 290 L C 2.077 178.734 176.870 -0.354 0.000 1.083 290 L CA 1.551 56.279 54.840 -0.185 0.000 0.752 290 L CB -1.446 40.602 42.059 -0.019 0.000 0.899 290 L HN 0.171 nan 8.230 nan 0.000 0.433 291 N N -0.924 117.577 118.700 -0.332 0.000 2.207 291 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 291 N C 1.975 177.135 175.510 -0.584 0.000 1.020 291 N CA 0.740 53.470 53.050 -0.534 0.000 0.858 291 N CB -0.139 38.203 38.487 -0.241 0.000 0.991 291 N HN 0.203 nan 8.380 nan 0.000 0.427 292 R N 0.645 120.874 120.500 -0.451 0.000 2.083 292 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 292 R C 1.253 177.281 176.300 -0.453 0.000 1.137 292 R CA 1.312 57.144 56.100 -0.446 0.000 0.951 292 R CB 0.099 30.177 30.300 -0.371 0.000 0.851 292 R HN 0.194 nan 8.270 nan 0.000 0.434 293 Q N -0.844 118.619 119.800 -0.562 0.000 2.435 293 Q HA -0.008 4.332 4.340 -0.000 0.000 0.207 293 Q C 1.385 177.171 176.000 -0.356 0.000 0.956 293 Q CA 1.190 56.702 55.803 -0.485 0.000 0.917 293 Q CB 0.572 28.914 28.738 -0.659 0.000 0.997 293 Q HN 0.387 nan 8.270 nan 0.000 0.497 294 T N -0.556 113.734 114.554 -0.440 0.000 3.045 294 T HA 0.018 4.368 4.350 -0.000 0.000 0.239 294 T C 0.565 175.122 174.700 -0.237 0.000 1.008 294 T CA 0.840 62.717 62.100 -0.373 0.000 1.143 294 T CB 0.095 68.650 68.868 -0.522 0.000 0.894 294 T HN 0.431 nan 8.240 nan 0.000 0.451 295 Y N -0.840 119.401 120.300 -0.098 0.000 2.957 295 Y HA 0.682 5.232 4.550 -0.000 0.000 0.274 295 Y C 0.721 176.562 175.900 -0.098 0.000 1.065 295 Y CA -0.518 57.542 58.100 -0.067 0.000 1.273 295 Y CB -0.367 38.079 38.460 -0.024 0.000 1.358 295 Y HN 0.115 nan 8.280 nan 0.000 0.585 296 S N 0.277 115.892 115.700 -0.141 0.000 4.151 296 S HA -0.270 4.200 4.470 -0.000 0.000 0.617 296 S C -0.164 174.282 174.600 -0.256 0.000 1.878 296 S CA 1.292 59.306 58.200 -0.311 0.000 4.245 296 S CB -1.613 61.441 63.200 -0.244 0.000 0.205 296 S HN 0.415 nan 8.310 nan 0.000 0.468 297 F N 5.053 125.074 119.950 0.118 0.000 2.371 297 F HA 0.554 5.081 4.527 -0.000 0.000 0.329 297 F C -1.434 174.495 175.800 0.215 0.000 1.107 297 F CA -1.186 56.906 58.000 0.153 0.000 1.137 297 F CB 0.329 39.389 39.000 0.099 0.000 1.214 297 F HN 0.285 nan 8.300 nan 0.000 0.536 298 P HA 0.188 nan 4.420 nan 0.000 0.281 298 P C -2.643 174.693 177.300 0.059 0.000 1.249 298 P CA -1.564 61.606 63.100 0.117 0.000 0.810 298 P CB 0.292 32.076 31.700 0.141 0.000 1.008 299 P HA -0.000 nan 4.420 nan 0.000 0.265 299 P C 0.157 177.460 177.300 0.005 0.000 1.193 299 P CA 0.109 63.200 63.100 -0.015 0.000 0.765 299 P CB 0.499 32.151 31.700 -0.079 0.000 0.823 300 F N 2.717 122.621 119.950 -0.076 0.000 2.317 300 F HA -0.032 4.495 4.527 -0.000 0.000 0.290 300 F C 2.564 178.296 175.800 -0.113 0.000 1.075 300 F CA 0.962 58.901 58.000 -0.103 0.000 1.380 300 F CB -0.546 38.417 39.000 -0.062 0.000 1.093 300 F HN 0.370 nan 8.300 nan 0.000 0.524 301 H N -0.069 118.962 119.070 -0.064 0.000 2.321 301 H HA -0.114 4.442 4.556 -0.000 0.000 0.295 301 H C 2.393 177.534 175.328 -0.312 0.000 1.102 301 H CA 2.204 58.151 56.048 -0.167 0.000 1.266 301 H CB -0.773 28.971 29.762 -0.029 0.000 1.363 301 H HN 0.379 nan 8.280 nan 0.000 0.492 302 G N -0.678 107.954 108.800 -0.281 0.000 2.394 302 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 302 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 302 G C 1.896 176.481 174.900 -0.526 0.000 1.165 302 G CA 0.672 45.561 45.100 -0.350 0.000 0.784 302 G HN 0.589 nan 8.290 nan 0.000 0.535 303 A N 0.689 123.102 122.820 -0.678 0.000 1.933 303 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 303 A C 2.203 179.376 177.584 -0.684 0.000 1.175 303 A CA 2.328 53.788 52.037 -0.961 0.000 0.628 303 A CB -0.324 17.877 19.000 -1.333 0.000 0.814 303 A HN 0.339 nan 8.150 nan 0.000 0.444 304 K N 0.363 120.269 120.400 -0.823 0.000 2.025 304 K HA 0.006 4.326 4.320 -0.000 0.000 0.207 304 K C 1.600 177.909 176.600 -0.485 0.000 1.049 304 K CA 1.513 57.359 56.287 -0.736 0.000 0.933 304 K CB -0.570 31.294 32.500 -1.059 0.000 0.714 304 K HN 0.500 nan 8.250 nan 0.000 0.438 305 I N -0.054 120.200 120.570 -0.527 0.000 2.127 305 I HA -0.308 3.862 4.170 -0.000 0.000 0.241 305 I C 2.067 177.950 176.117 -0.391 0.000 1.075 305 I CA 1.193 62.248 61.300 -0.408 0.000 1.334 305 I CB -0.367 37.392 38.000 -0.402 0.000 1.040 305 I HN -0.059 nan 8.210 nan 0.000 0.405 306 V N 1.081 120.676 119.914 -0.532 0.000 2.255 306 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 306 V C 2.688 178.540 176.094 -0.404 0.000 1.051 306 V CA 2.445 64.294 62.300 -0.751 0.000 1.018 306 V CB -0.929 30.430 31.823 -0.773 0.000 0.641 306 V HN 0.637 nan 8.190 nan 0.000 0.445 307 S N -0.674 114.896 115.700 -0.217 0.000 2.383 307 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 307 S C 1.939 176.468 174.600 -0.118 0.000 1.026 307 S CA 1.897 60.025 58.200 -0.119 0.000 0.981 307 S CB -0.872 62.303 63.200 -0.042 0.000 0.818 307 S HN 0.577 nan 8.310 nan 0.000 0.472 308 T N 2.491 116.960 114.554 -0.142 0.000 2.684 308 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 308 T C 1.926 176.583 174.700 -0.072 0.000 1.036 308 T CA 1.533 63.575 62.100 -0.097 0.000 1.148 308 T CB -0.689 68.115 68.868 -0.107 0.000 0.863 308 T HN 0.296 nan 8.240 nan 0.000 0.436 309 V N 1.332 121.189 119.914 -0.095 0.000 2.255 309 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 309 V C 2.446 178.529 176.094 -0.019 0.000 1.051 309 V CA 1.348 63.622 62.300 -0.042 0.000 1.018 309 V CB -0.641 31.158 31.823 -0.040 0.000 0.641 309 V HN 0.312 nan 8.190 nan 0.000 0.445 310 L N 0.808 121.998 121.223 -0.055 0.000 2.201 310 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 310 L C 2.433 179.300 176.870 -0.004 0.000 1.105 310 L CA 2.464 57.291 54.840 -0.020 0.000 0.775 310 L CB -1.218 40.810 42.059 -0.051 0.000 0.913 310 L HN 0.670 nan 8.230 nan 0.000 0.440 311 T N -6.549 107.994 114.554 -0.018 0.000 3.069 311 T HA 0.095 4.445 4.350 -0.000 0.000 0.252 311 T C 0.730 175.432 174.700 0.003 0.000 1.053 311 T CA -0.018 62.077 62.100 -0.008 0.000 0.964 311 T CB -0.268 68.590 68.868 -0.016 0.000 1.005 311 T HN 0.094 nan 8.240 nan 0.000 0.532 312 T N 3.912 118.471 114.554 0.009 0.000 3.042 312 T HA 0.345 4.695 4.350 -0.000 0.000 0.356 312 T C -1.953 172.767 174.700 0.033 0.000 1.233 312 T CA -1.247 60.863 62.100 0.017 0.000 1.038 312 T CB 1.438 70.315 68.868 0.014 0.000 1.089 312 T HN -0.056 nan 8.240 nan 0.000 0.531 313 P HA -0.280 nan 4.420 nan 0.000 0.222 313 P C 1.516 178.843 177.300 0.044 0.000 1.157 313 P CA 1.255 64.377 63.100 0.037 0.000 0.905 313 P CB 0.336 32.051 31.700 0.026 0.000 0.792 314 E N -1.045 119.179 120.200 0.038 0.000 2.051 314 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 314 E C 1.805 178.439 176.600 0.058 0.000 0.991 314 E CA 1.119 57.544 56.400 0.041 0.000 0.799 314 E CB -0.499 29.221 29.700 0.034 0.000 0.748 314 E HN 0.023 nan 8.360 nan 0.000 0.449 315 L N 1.184 122.445 121.223 0.064 0.000 2.072 315 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 315 L C 2.627 179.581 176.870 0.140 0.000 1.079 315 L CA 1.479 56.371 54.840 0.088 0.000 0.752 315 L CB -0.735 41.363 42.059 0.065 0.000 0.906 315 L HN 0.108 nan 8.230 nan 0.000 0.436 316 R N -0.604 119.976 120.500 0.133 0.000 2.083 316 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 316 R C 2.202 178.629 176.300 0.212 0.000 1.137 316 R CA 1.558 57.784 56.100 0.210 0.000 0.951 316 R CB -0.277 30.114 30.300 0.152 0.000 0.851 316 R HN 0.365 nan 8.270 nan 0.000 0.434 317 A N 0.772 123.661 122.820 0.114 0.000 1.908 317 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 317 A C 1.821 179.431 177.584 0.043 0.000 1.181 317 A CA 2.097 54.169 52.037 0.059 0.000 0.627 317 A CB -0.741 18.280 19.000 0.035 0.000 0.818 317 A HN 0.541 nan 8.150 nan 0.000 0.445 318 D N -2.072 118.372 120.400 0.073 0.000 2.178 318 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 318 D C 1.580 177.922 176.300 0.069 0.000 0.974 318 D CA 1.327 55.361 54.000 0.057 0.000 0.841 318 D CB -0.273 40.570 40.800 0.073 0.000 0.953 318 D HN 0.616 nan 8.370 nan 0.000 0.478 319 W N 0.846 122.110 121.300 -0.060 0.000 2.379 319 W HA -0.097 4.563 4.660 -0.000 0.000 0.307 319 W C 2.095 178.514 176.519 -0.167 0.000 1.200 319 W CA 1.526 58.803 57.345 -0.113 0.000 1.297 319 W CB -0.476 28.909 29.460 -0.125 0.000 1.140 319 W HN -0.063 nan 8.180 nan 0.000 0.507 320 M N 0.570 119.948 119.600 -0.369 0.000 2.117 320 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 320 M C 2.337 178.378 176.300 -0.432 0.000 1.065 320 M CA 2.037 56.985 55.300 -0.588 0.000 1.114 320 M CB -1.137 31.294 32.600 -0.283 0.000 1.361 320 M HN 0.140 nan 8.290 nan 0.000 0.408 321 A N 0.284 122.955 122.820 -0.249 0.000 1.883 321 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 321 A C 2.036 179.487 177.584 -0.221 0.000 1.186 321 A CA 2.112 54.037 52.037 -0.187 0.000 0.624 321 A CB -0.812 18.127 19.000 -0.102 0.000 0.822 321 A HN 0.578 nan 8.150 nan 0.000 0.444 322 E N -0.830 119.234 120.200 -0.228 0.000 2.072 322 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 322 E C 1.894 178.281 176.600 -0.355 0.000 0.985 322 E CA 1.104 57.374 56.400 -0.217 0.000 0.801 322 E CB -0.166 29.460 29.700 -0.124 0.000 0.750 322 E HN 0.416 nan 8.360 nan 0.000 0.452 323 L N 1.506 122.391 121.223 -0.564 0.000 2.083 323 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 323 L C 2.200 178.718 176.870 -0.586 0.000 1.083 323 L CA 2.049 56.456 54.840 -0.720 0.000 0.752 323 L CB -0.454 40.953 42.059 -1.086 0.000 0.899 323 L HN 0.141 nan 8.230 nan 0.000 0.433 324 E N -0.190 119.732 120.200 -0.463 0.000 2.051 324 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 324 E C 2.129 178.571 176.600 -0.262 0.000 0.991 324 E CA 1.595 57.796 56.400 -0.331 0.000 0.799 324 E CB -0.389 29.157 29.700 -0.257 0.000 0.748 324 E HN 0.500 nan 8.360 nan 0.000 0.449 325 A N 0.207 122.887 122.820 -0.233 0.000 1.883 325 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 325 A C 2.540 180.018 177.584 -0.177 0.000 1.186 325 A CA 1.840 53.779 52.037 -0.163 0.000 0.624 325 A CB -0.954 17.971 19.000 -0.125 0.000 0.822 325 A HN 0.217 nan 8.150 nan 0.000 0.444 326 V N 0.062 119.803 119.914 -0.290 0.000 2.261 326 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 326 V C 2.682 178.607 176.094 -0.282 0.000 1.047 326 V CA 2.427 64.498 62.300 -0.382 0.000 1.015 326 V CB -0.822 30.552 31.823 -0.748 0.000 0.642 326 V HN 0.712 nan 8.190 nan 0.000 0.446 327 R N 0.042 120.333 120.500 -0.348 0.000 2.083 327 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 327 R C 2.453 178.686 176.300 -0.113 0.000 1.137 327 R CA 2.124 58.084 56.100 -0.234 0.000 0.951 327 R CB -0.357 29.771 30.300 -0.288 0.000 0.851 327 R HN 0.525 nan 8.270 nan 0.000 0.434 328 S N -0.255 115.375 115.700 -0.117 0.000 2.356 328 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 328 S C 1.912 176.494 174.600 -0.031 0.000 1.032 328 S CA 1.189 59.348 58.200 -0.067 0.000 1.005 328 S CB -0.573 62.584 63.200 -0.073 0.000 0.867 328 S HN 0.686 nan 8.310 nan 0.000 0.449 329 G N 1.928 110.714 108.800 -0.023 0.000 2.476 329 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 329 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 329 G C 1.395 176.322 174.900 0.045 0.000 1.164 329 G CA 1.051 46.164 45.100 0.022 0.000 0.768 329 G HN 0.390 nan 8.290 nan 0.000 0.560 330 M N -0.009 119.629 119.600 0.064 0.000 2.149 330 M HA -0.011 4.469 4.480 -0.000 0.000 0.261 330 M C 2.619 178.947 176.300 0.048 0.000 1.064 330 M CA 1.115 56.465 55.300 0.083 0.000 1.102 330 M CB -0.484 32.186 32.600 0.117 0.000 1.369 330 M HN 0.188 nan 8.290 nan 0.000 0.408 331 L N -0.948 120.292 121.223 0.028 0.000 2.093 331 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 331 L C 2.709 179.587 176.870 0.014 0.000 1.085 331 L CA 1.037 55.889 54.840 0.021 0.000 0.755 331 L CB -0.740 41.324 42.059 0.009 0.000 0.904 331 L HN 0.318 nan 8.230 nan 0.000 0.435 332 R N 0.653 121.159 120.500 0.010 0.000 2.083 332 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 332 R C 2.333 178.637 176.300 0.007 0.000 1.137 332 R CA 1.519 57.622 56.100 0.006 0.000 0.951 332 R CB -0.271 30.033 30.300 0.006 0.000 0.851 332 R HN 0.336 nan 8.270 nan 0.000 0.434 333 L N -0.001 121.231 121.223 0.016 0.000 2.017 333 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 333 L C 2.685 179.557 176.870 0.003 0.000 1.073 333 L CA 1.478 56.325 54.840 0.012 0.000 0.745 333 L CB -0.434 41.639 42.059 0.024 0.000 0.894 333 L HN 0.213 nan 8.230 nan 0.000 0.432 334 R N 0.082 120.589 120.500 0.011 0.000 2.091 334 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 334 R C 2.147 178.437 176.300 -0.018 0.000 1.136 334 R CA 1.563 57.666 56.100 0.004 0.000 0.959 334 R CB -0.378 29.937 30.300 0.026 0.000 0.856 334 R HN 0.496 nan 8.270 nan 0.000 0.437 335 E N 0.651 120.845 120.200 -0.012 0.000 2.047 335 E HA -0.241 4.108 4.350 -0.000 0.000 0.191 335 E C 2.132 178.716 176.600 -0.026 0.000 0.987 335 E CA 0.985 57.374 56.400 -0.019 0.000 0.799 335 E CB -0.044 29.649 29.700 -0.011 0.000 0.752 335 E HN 0.353 nan 8.360 nan 0.000 0.449 336 Q N 0.596 120.384 119.800 -0.021 0.000 2.084 336 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 336 Q C 2.282 178.259 176.000 -0.039 0.000 0.978 336 Q CA 0.868 56.656 55.803 -0.025 0.000 0.844 336 Q CB 0.029 28.757 28.738 -0.017 0.000 0.898 336 Q HN 0.254 nan 8.270 nan 0.000 0.426 337 L N 0.262 121.459 121.223 -0.044 0.000 2.027 337 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 337 L C 2.232 179.045 176.870 -0.095 0.000 1.074 337 L CA 2.057 56.857 54.840 -0.066 0.000 0.745 337 L CB -1.253 40.772 42.059 -0.058 0.000 0.898 337 L HN 0.349 nan 8.230 nan 0.000 0.433 338 A N -0.031 122.735 122.820 -0.090 0.000 1.908 338 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 338 A C 2.342 179.881 177.584 -0.075 0.000 1.181 338 A CA 1.794 53.770 52.037 -0.103 0.000 0.627 338 A CB -1.334 17.609 19.000 -0.095 0.000 0.818 338 A HN 0.545 nan 8.150 nan 0.000 0.445 339 G N -0.536 108.231 108.800 -0.056 0.000 2.421 339 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 339 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 339 G C 1.436 176.308 174.900 -0.048 0.000 1.171 339 G CA 1.337 46.412 45.100 -0.041 0.000 0.775 339 G HN 0.574 nan 8.290 nan 0.000 0.543 340 E N 0.463 120.626 120.200 -0.061 0.000 2.070 340 E HA -0.109 4.241 4.350 -0.000 0.000 0.197 340 E C 2.508 179.051 176.600 -0.094 0.000 1.004 340 E CA 0.972 57.332 56.400 -0.067 0.000 0.805 340 E CB -0.474 29.184 29.700 -0.071 0.000 0.744 340 E HN 0.452 nan 8.360 nan 0.000 0.451 341 L N -0.105 121.031 121.223 -0.147 0.000 2.046 341 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 341 L C 2.867 179.684 176.870 -0.088 0.000 1.077 341 L CA 1.596 56.298 54.840 -0.230 0.000 0.747 341 L CB -0.453 41.332 42.059 -0.457 0.000 0.896 341 L HN 0.169 nan 8.230 nan 0.000 0.432 342 R N 0.391 120.874 120.500 -0.028 0.000 2.070 342 R HA -0.174 4.166 4.340 -0.000 0.000 0.233 342 R C 1.241 177.548 176.300 0.012 0.000 1.137 342 R CA 1.866 57.980 56.100 0.025 0.000 0.945 342 R CB -0.161 30.147 30.300 0.014 0.000 0.845 342 R HN 0.331 nan 8.270 nan 0.000 0.430 343 D N 0.413 120.808 120.400 -0.009 0.000 2.332 343 D HA -0.049 4.591 4.640 -0.000 0.000 0.244 343 D C 0.713 177.006 176.300 -0.010 0.000 1.136 343 D CA 0.531 54.527 54.000 -0.007 0.000 0.884 343 D CB 0.327 41.120 40.800 -0.012 0.000 0.906 343 D HN 0.313 nan 8.370 nan 0.000 0.520 344 L N -0.005 121.209 121.223 -0.014 0.000 3.229 344 L HA 0.038 4.378 4.340 -0.000 0.000 0.286 344 L C 0.570 177.444 176.870 0.006 0.000 1.239 344 L CA 0.076 54.905 54.840 -0.017 0.000 1.035 344 L CB 0.327 42.356 42.059 -0.050 0.000 1.408 344 L HN -0.054 nan 8.230 nan 0.000 0.593 345 S N -4.326 111.392 115.700 0.030 0.000 1.984 345 S HA 0.070 4.540 4.470 -0.000 0.000 0.220 345 S C 1.155 175.792 174.600 0.061 0.000 0.849 345 S CA 0.364 58.599 58.200 0.059 0.000 1.653 345 S CB 0.193 63.458 63.200 0.108 0.000 1.163 345 S HN 0.322 nan 8.310 nan 0.000 0.522 346 G N 1.644 110.476 108.800 0.054 0.000 2.189 346 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.267 346 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.267 346 G C 0.053 174.989 174.900 0.059 0.000 0.975 346 G CA 0.271 45.397 45.100 0.045 0.000 0.644 346 G HN 1.177 nan 8.290 nan 0.000 0.537 347 S N 0.555 116.316 115.700 0.102 0.000 2.416 347 S HA 0.362 4.832 4.470 -0.000 0.000 0.302 347 S C 0.829 175.498 174.600 0.116 0.000 1.120 347 S CA 0.356 58.623 58.200 0.111 0.000 1.067 347 S CB 1.305 64.615 63.200 0.184 0.000 1.057 347 S HN 0.397 nan 8.310 nan 0.000 0.518 348 D N 2.660 123.088 120.400 0.046 0.000 2.378 348 D HA -0.101 4.539 4.640 -0.000 0.000 0.227 348 D C 1.997 178.294 176.300 -0.005 0.000 1.012 348 D CA 0.398 54.416 54.000 0.030 0.000 0.905 348 D CB 0.172 40.979 40.800 0.011 0.000 0.895 348 D HN 0.624 nan 8.370 nan 0.000 0.532 349 R N -0.654 119.803 120.500 -0.073 0.000 2.341 349 R HA -0.083 4.257 4.340 -0.000 0.000 0.213 349 R C 0.526 176.663 176.300 -0.273 0.000 1.082 349 R CA 0.798 56.785 56.100 -0.189 0.000 1.017 349 R CB -0.522 29.592 30.300 -0.310 0.000 0.860 349 R HN 0.183 nan 8.270 nan 0.000 0.473 350 F N 0.314 120.221 119.950 -0.072 0.000 2.664 350 F HA 0.388 4.915 4.527 -0.000 0.000 0.303 350 F C 2.154 177.601 175.800 -0.589 0.000 1.092 350 F CA -0.044 57.724 58.000 -0.387 0.000 1.305 350 F CB 0.590 39.427 39.000 -0.273 0.000 1.054 350 F HN 0.121 nan 8.300 nan 0.000 0.565 351 G N 0.843 109.546 108.800 -0.161 0.000 2.462 351 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 351 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 351 G C 1.603 176.389 174.900 -0.190 0.000 1.121 351 G CA 0.996 46.014 45.100 -0.136 0.000 0.758 351 G HN 0.482 nan 8.290 nan 0.000 0.559 352 F N 0.956 120.853 119.950 -0.088 0.000 2.250 352 F HA -0.052 4.475 4.527 -0.000 0.000 0.301 352 F C 2.196 177.777 175.800 -0.365 0.000 1.077 352 F CA 0.580 58.439 58.000 -0.235 0.000 1.348 352 F CB -0.989 37.843 39.000 -0.279 0.000 1.040 352 F HN 0.001 nan 8.300 nan 0.000 0.509 353 V N 1.389 120.898 119.914 -0.675 0.000 2.282 353 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 353 V C 2.878 178.910 176.094 -0.103 0.000 1.057 353 V CA 2.141 64.240 62.300 -0.334 0.000 1.032 353 V CB -1.469 30.147 31.823 -0.344 0.000 0.645 353 V HN 0.592 nan 8.190 nan 0.000 0.447 354 A N -0.952 121.807 122.820 -0.102 0.000 2.119 354 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 354 A C 2.075 179.673 177.584 0.022 0.000 1.152 354 A CA 1.146 53.169 52.037 -0.024 0.000 0.708 354 A CB -0.302 18.679 19.000 -0.032 0.000 0.805 354 A HN 0.648 nan 8.150 nan 0.000 0.460 355 E N -0.732 119.480 120.200 0.020 0.000 2.250 355 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 355 E C 0.007 176.729 176.600 0.202 0.000 0.986 355 E CA -0.059 56.392 56.400 0.084 0.000 0.849 355 E CB -0.083 29.662 29.700 0.075 0.000 0.797 355 E HN 0.774 nan 8.360 nan 0.000 0.482 356 H N 0.462 119.632 119.070 0.166 0.000 2.790 356 H HA 0.222 4.778 4.556 -0.000 0.000 0.358 356 H C -0.017 175.386 175.328 0.126 0.000 1.103 356 H CA -0.378 55.777 56.048 0.177 0.000 1.426 356 H CB 0.673 30.575 29.762 0.233 0.000 1.424 356 H HN -0.185 nan 8.280 nan 0.000 0.599 357 R N 1.139 121.781 120.500 0.237 0.000 2.534 357 R HA 0.470 4.810 4.340 -0.000 0.000 0.301 357 R C -0.518 175.844 176.300 0.104 0.000 0.961 357 R CA 0.388 56.579 56.100 0.152 0.000 0.871 357 R CB 1.480 31.866 30.300 0.142 0.000 1.170 357 R HN 0.963 nan 8.270 nan 0.000 0.446 358 G N 1.969 110.806 108.800 0.062 0.000 2.293 358 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.282 358 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.282 358 G C 0.015 174.828 174.900 -0.144 0.000 1.299 358 G CA -0.212 44.859 45.100 -0.049 0.000 1.018 358 G HN 0.501 nan 8.290 nan 0.000 0.478 359 M N -0.342 118.976 119.600 -0.470 0.000 2.510 359 M HA 0.366 4.846 4.480 -0.000 0.000 0.256 359 M C -0.049 175.830 176.300 -0.701 0.000 1.132 359 M CA 0.821 55.742 55.300 -0.631 0.000 1.105 359 M CB 0.132 32.121 32.600 -1.019 0.000 1.375 359 M HN 0.262 nan 8.290 nan 0.000 0.477 360 F N -1.291 118.590 119.950 -0.115 0.000 2.575 360 F HA 0.601 5.128 4.527 -0.000 0.000 0.330 360 F C 0.134 175.950 175.800 0.025 0.000 1.056 360 F CA -1.151 56.819 58.000 -0.051 0.000 0.964 360 F CB 1.666 40.605 39.000 -0.100 0.000 1.258 360 F HN -0.372 nan 8.300 nan 0.000 0.484 361 S N 0.247 116.126 115.700 0.299 0.000 2.570 361 S HA 0.464 4.934 4.470 -0.000 0.000 0.286 361 S C -1.271 173.493 174.600 0.272 0.000 1.143 361 S CA -0.782 57.622 58.200 0.341 0.000 0.921 361 S CB 1.074 64.529 63.200 0.426 0.000 1.108 361 S HN 0.597 nan 8.310 nan 0.000 0.456 362 R N 3.369 124.005 120.500 0.227 0.000 2.255 362 R HA 0.426 4.766 4.340 -0.000 0.000 0.326 362 R C 1.057 177.526 176.300 0.282 0.000 0.986 362 R CA -0.422 55.759 56.100 0.134 0.000 0.847 362 R CB 0.676 30.912 30.300 -0.107 0.000 1.111 362 R HN 0.599 nan 8.270 nan 0.000 0.452 363 L N 1.786 123.172 121.223 0.273 0.000 2.191 363 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 363 L C 1.505 178.552 176.870 0.296 0.000 1.103 363 L CA 1.443 56.503 54.840 0.367 0.000 0.769 363 L CB -0.219 41.993 42.059 0.256 0.000 0.908 363 L HN 1.113 nan 8.230 nan 0.000 0.438 364 G N -0.650 108.255 108.800 0.175 0.000 2.176 364 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.253 364 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.253 364 G C 0.454 175.418 174.900 0.107 0.000 0.979 364 G CA 0.031 45.208 45.100 0.129 0.000 0.641 364 G HN 0.566 nan 8.290 nan 0.000 0.530 365 A N 0.888 123.778 122.820 0.116 0.000 2.498 365 A HA 0.597 4.917 4.320 -0.000 0.000 0.239 365 A C 1.211 178.828 177.584 0.055 0.000 1.068 365 A CA 1.278 53.365 52.037 0.084 0.000 0.766 365 A CB 0.022 19.065 19.000 0.073 0.000 1.003 365 A HN 1.935 nan 8.150 nan 0.000 0.497 366 T N 0.951 115.531 114.554 0.043 0.000 2.900 366 T HA 0.279 4.629 4.350 -0.000 0.000 0.307 366 T C -1.237 173.478 174.700 0.025 0.000 1.065 366 T CA -0.662 61.458 62.100 0.032 0.000 1.105 366 T CB 0.567 69.451 68.868 0.028 0.000 0.979 366 T HN 0.515 nan 8.240 nan 0.000 0.544 367 P HA -0.238 nan 4.420 nan 0.000 0.217 367 P C 1.201 178.512 177.300 0.018 0.000 1.151 367 P CA 1.880 64.992 63.100 0.019 0.000 0.849 367 P CB 0.063 31.773 31.700 0.017 0.000 0.787 368 E N 0.564 120.774 120.200 0.018 0.000 2.106 368 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 368 E C 2.223 178.829 176.600 0.010 0.000 0.984 368 E CA 1.073 57.483 56.400 0.017 0.000 0.806 368 E CB -1.221 28.490 29.700 0.018 0.000 0.750 368 E HN 0.288 nan 8.360 nan 0.000 0.458 369 Q N 0.664 120.468 119.800 0.006 0.000 2.079 369 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 369 Q C 2.408 178.388 176.000 -0.033 0.000 0.974 369 Q CA 1.689 57.485 55.803 -0.011 0.000 0.840 369 Q CB -0.100 28.638 28.738 -0.000 0.000 0.898 369 Q HN 0.243 nan 8.270 nan 0.000 0.430 370 V N 1.341 121.246 119.914 -0.014 0.000 2.233 370 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 370 V C 2.212 178.296 176.094 -0.016 0.000 1.050 370 V CA 2.060 64.350 62.300 -0.017 0.000 1.010 370 V CB -0.514 31.314 31.823 0.009 0.000 0.637 370 V HN 0.295 nan 8.190 nan 0.000 0.444 371 K N -0.381 120.025 120.400 0.010 0.000 2.211 371 K HA -0.201 4.119 4.320 -0.000 0.000 0.203 371 K C 2.281 178.894 176.600 0.021 0.000 1.050 371 K CA 0.990 57.296 56.287 0.032 0.000 0.945 371 K CB -0.013 32.513 32.500 0.044 0.000 0.732 371 K HN 0.215 nan 8.250 nan 0.000 0.451 372 R N 1.685 122.187 120.500 0.003 0.000 2.070 372 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 372 R C 2.131 178.437 176.300 0.011 0.000 1.138 372 R CA 2.130 58.239 56.100 0.014 0.000 0.936 372 R CB -0.625 29.676 30.300 0.002 0.000 0.839 372 R HN 0.415 nan 8.270 nan 0.000 0.429 373 I N -0.336 120.164 120.570 -0.116 0.000 2.361 373 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 373 I C 1.940 178.003 176.117 -0.090 0.000 1.133 373 I CA 1.941 63.081 61.300 -0.266 0.000 1.413 373 I CB -0.697 36.913 38.000 -0.650 0.000 1.073 373 I HN 0.198 nan 8.210 nan 0.000 0.424 374 K N 1.986 122.305 120.400 -0.136 0.000 2.097 374 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 374 K C 1.600 178.030 176.600 -0.284 0.000 1.050 374 K CA 1.758 57.851 56.287 -0.324 0.000 0.938 374 K CB -0.470 31.905 32.500 -0.209 0.000 0.718 374 K HN 0.460 nan 8.250 nan 0.000 0.442 375 E N 0.736 120.927 120.200 -0.015 0.000 2.511 375 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 375 E C 1.101 177.743 176.600 0.071 0.000 1.066 375 E CA 1.022 57.466 56.400 0.074 0.000 0.871 375 E CB 0.228 29.986 29.700 0.097 0.000 0.863 375 E HN 0.705 nan 8.360 nan 0.000 0.520 376 E N -1.070 119.187 120.200 0.095 0.000 2.684 376 E HA 0.022 4.372 4.350 -0.000 0.000 0.204 376 E C 1.290 177.918 176.600 0.046 0.000 0.900 376 E CA -0.143 56.304 56.400 0.077 0.000 1.481 376 E CB -0.468 29.288 29.700 0.094 0.000 1.468 376 E HN 0.047 nan 8.360 nan 0.000 0.778 377 F N 1.883 121.780 119.950 -0.088 0.000 2.456 377 F HA 0.289 4.816 4.527 -0.000 0.000 0.298 377 F C 1.924 177.662 175.800 -0.102 0.000 1.104 377 F CA 1.428 59.380 58.000 -0.080 0.000 1.435 377 F CB 0.208 39.162 39.000 -0.077 0.000 1.078 377 F HN 0.381 nan 8.300 nan 0.000 0.546 378 G N 0.886 109.682 108.800 -0.007 0.000 2.176 378 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.253 378 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.253 378 G C 0.484 175.277 174.900 -0.178 0.000 0.979 378 G CA 0.138 45.164 45.100 -0.122 0.000 0.641 378 G HN 0.484 nan 8.290 nan 0.000 0.530 379 I N -1.271 119.208 120.570 -0.152 0.000 2.329 379 I HA 0.555 4.725 4.170 -0.000 0.000 0.295 379 I C -0.264 175.733 176.117 -0.201 0.000 1.109 379 I CA -0.981 60.266 61.300 -0.089 0.000 1.297 379 I CB -0.093 37.882 38.000 -0.041 0.000 1.433 379 I HN -0.020 nan 8.210 nan 0.000 0.509 380 Y N 7.784 128.158 120.300 0.123 0.000 2.535 380 Y HA 0.467 5.017 4.550 -0.000 0.000 0.349 380 Y C 0.555 176.467 175.900 0.019 0.000 0.992 380 Y CA -0.671 57.482 58.100 0.089 0.000 1.248 380 Y CB 0.784 39.343 38.460 0.166 0.000 1.124 380 Y HN 0.669 nan 8.280 nan 0.000 0.520 381 M N 0.344 120.023 119.600 0.132 0.000 2.664 381 M HA 0.770 5.250 4.480 -0.000 0.000 0.314 381 M C -1.037 175.311 176.300 0.079 0.000 1.200 381 M CA -1.247 54.103 55.300 0.083 0.000 0.916 381 M CB 1.277 33.907 32.600 0.050 0.000 1.717 381 M HN 0.054 nan 8.290 nan 0.000 0.470 382 V N 2.380 122.322 119.914 0.046 0.000 2.872 382 V HA 0.073 4.193 4.120 -0.000 0.000 0.307 382 V C 1.714 177.818 176.094 0.018 0.000 1.072 382 V CA 1.163 63.474 62.300 0.018 0.000 1.148 382 V CB 0.735 32.541 31.823 -0.029 0.000 0.954 382 V HN 1.139 nan 8.190 nan 0.000 0.490 383 G N 3.068 111.877 108.800 0.015 0.000 2.545 383 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.222 383 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.222 383 G C 0.874 175.778 174.900 0.007 0.000 1.126 383 G CA 1.071 46.180 45.100 0.014 0.000 0.754 383 G HN 0.983 nan 8.290 nan 0.000 0.583 384 D N -0.288 120.108 120.400 -0.008 0.000 2.352 384 D HA 0.049 4.689 4.640 -0.000 0.000 0.236 384 D C 1.197 177.499 176.300 0.002 0.000 1.148 384 D CA 0.812 54.806 54.000 -0.009 0.000 0.844 384 D CB -0.710 40.069 40.800 -0.035 0.000 0.933 384 D HN 0.617 nan 8.370 nan 0.000 0.507 385 S N -0.968 114.743 115.700 0.018 0.000 3.672 385 S HA -0.308 4.162 4.470 -0.000 0.000 0.319 385 S C 0.201 174.832 174.600 0.053 0.000 1.151 385 S CA 0.282 58.507 58.200 0.042 0.000 0.911 385 S CB -2.504 60.736 63.200 0.066 0.000 0.939 385 S HN 0.680 nan 8.310 nan 0.000 0.524 386 R N 1.443 121.957 120.500 0.024 0.000 2.234 386 R HA 0.636 4.976 4.340 -0.000 0.000 0.324 386 R C 0.507 176.866 176.300 0.097 0.000 1.054 386 R CA -0.355 55.765 56.100 0.034 0.000 0.912 386 R CB 0.264 30.520 30.300 -0.072 0.000 1.030 386 R HN 0.730 nan 8.270 nan 0.000 0.455 387 I N 1.534 122.202 120.570 0.162 0.000 2.441 387 I HA 0.365 4.535 4.170 -0.000 0.000 0.295 387 I C -0.487 175.773 176.117 0.238 0.000 0.994 387 I CA -1.051 60.347 61.300 0.164 0.000 1.144 387 I CB 1.840 39.909 38.000 0.114 0.000 1.314 387 I HN 0.412 nan 8.210 nan 0.000 0.445 388 N N 5.221 124.041 118.700 0.201 0.000 2.415 388 N HA 0.136 4.876 4.740 -0.000 0.000 0.250 388 N C 0.600 176.117 175.510 0.012 0.000 1.127 388 N CA -0.063 53.051 53.050 0.108 0.000 0.945 388 N CB 0.809 39.354 38.487 0.097 0.000 1.196 388 N HN 0.824 nan 8.380 nan 0.000 0.499 389 I N 3.688 124.251 120.570 -0.013 0.000 2.315 389 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 389 I C 2.053 178.171 176.117 0.002 0.000 1.125 389 I CA 1.206 62.509 61.300 0.006 0.000 1.392 389 I CB -0.180 37.830 38.000 0.017 0.000 1.065 389 I HN 0.694 nan 8.210 nan 0.000 0.424 390 A N -0.294 122.519 122.820 -0.011 0.000 2.172 390 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 390 A C 2.373 179.915 177.584 -0.070 0.000 1.154 390 A CA 1.289 53.328 52.037 0.003 0.000 0.701 390 A CB -1.250 17.781 19.000 0.050 0.000 0.789 390 A HN 0.468 nan 8.150 nan 0.000 0.465 391 G N -0.809 107.958 108.800 -0.056 0.000 2.464 391 G HA2 0.247 4.207 3.960 -0.000 0.000 0.217 391 G HA3 0.247 4.207 3.960 -0.000 0.000 0.217 391 G C 0.571 175.444 174.900 -0.044 0.000 1.138 391 G CA 0.129 45.190 45.100 -0.065 0.000 0.793 391 G HN 0.312 nan 8.290 nan 0.000 0.539 392 L N 1.056 122.265 121.223 -0.023 0.000 2.475 392 L HA 0.428 4.768 4.340 -0.000 0.000 0.253 392 L C 0.184 177.045 176.870 -0.016 0.000 1.198 392 L CA -0.516 54.315 54.840 -0.014 0.000 0.814 392 L CB 0.844 42.899 42.059 -0.006 0.000 1.134 392 L HN 0.586 nan 8.230 nan 0.000 0.478 393 N N -2.809 115.883 118.700 -0.012 0.000 3.127 393 N HA 0.185 4.925 4.740 -0.000 0.000 0.239 393 N C -0.179 175.325 175.510 -0.009 0.000 1.407 393 N CA -0.635 52.409 53.050 -0.011 0.000 0.891 393 N CB 0.275 38.751 38.487 -0.018 0.000 1.447 393 N HN 0.286 nan 8.380 nan 0.000 0.507 394 D N -0.234 120.162 120.400 -0.007 0.000 2.191 394 D HA -0.266 4.374 4.640 -0.000 0.000 0.190 394 D C 1.041 177.336 176.300 -0.008 0.000 1.007 394 D CA 2.290 56.285 54.000 -0.008 0.000 0.865 394 D CB -0.249 40.548 40.800 -0.005 0.000 0.929 394 D HN 0.753 nan 8.370 nan 0.000 0.447 395 N N -0.670 118.026 118.700 -0.007 0.000 2.398 395 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 395 N C 0.885 176.394 175.510 -0.001 0.000 1.122 395 N CA 1.078 54.125 53.050 -0.005 0.000 0.866 395 N CB 0.179 38.664 38.487 -0.004 0.000 0.970 395 N HN 0.297 nan 8.380 nan 0.000 0.462 396 T N -2.494 112.059 114.554 -0.002 0.000 2.985 396 T HA 0.311 4.660 4.350 -0.000 0.000 0.254 396 T C 1.876 176.576 174.700 0.000 0.000 1.021 396 T CA -0.370 61.732 62.100 0.005 0.000 0.957 396 T CB -0.103 68.769 68.868 0.007 0.000 1.047 396 T HN 0.004 nan 8.240 nan 0.000 0.511 397 I N 2.605 123.169 120.570 -0.009 0.000 2.113 397 I HA -0.050 4.120 4.170 -0.000 0.000 0.238 397 I C -0.283 175.819 176.117 -0.026 0.000 1.070 397 I CA 1.239 62.527 61.300 -0.020 0.000 1.332 397 I CB -0.976 37.009 38.000 -0.025 0.000 1.044 397 I HN 0.178 nan 8.210 nan 0.000 0.402 398 P HA -0.173 nan 4.420 nan 0.000 0.218 398 P C 1.848 179.144 177.300 -0.005 0.000 1.148 398 P CA 1.739 64.826 63.100 -0.022 0.000 0.822 398 P CB -0.139 31.552 31.700 -0.016 0.000 0.784 399 I N -1.046 119.531 120.570 0.012 0.000 2.315 399 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 399 I C 2.485 178.638 176.117 0.060 0.000 1.117 399 I CA 0.922 62.250 61.300 0.047 0.000 1.404 399 I CB -0.543 37.488 38.000 0.052 0.000 1.071 399 I HN -0.079 nan 8.210 nan 0.000 0.419 400 L N 0.978 122.211 121.223 0.016 0.000 2.072 400 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 400 L C 2.564 179.396 176.870 -0.063 0.000 1.079 400 L CA 1.893 56.722 54.840 -0.018 0.000 0.752 400 L CB -0.614 41.428 42.059 -0.028 0.000 0.906 400 L HN 0.154 nan 8.230 nan 0.000 0.436 401 A N -0.202 122.573 122.820 -0.074 0.000 1.908 401 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 401 A C 2.396 179.918 177.584 -0.103 0.000 1.181 401 A CA 1.869 53.828 52.037 -0.130 0.000 0.627 401 A CB -0.555 18.373 19.000 -0.120 0.000 0.818 401 A HN 0.500 nan 8.150 nan 0.000 0.445 402 R N -0.529 119.954 120.500 -0.029 0.000 2.080 402 R HA -0.130 4.209 4.340 -0.000 0.000 0.236 402 R C 2.566 178.887 176.300 0.035 0.000 1.137 402 R CA 1.349 57.462 56.100 0.021 0.000 0.943 402 R CB -0.638 29.709 30.300 0.078 0.000 0.846 402 R HN 0.512 nan 8.270 nan 0.000 0.431 403 A N 1.588 124.432 122.820 0.040 0.000 1.873 403 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 403 A C 2.227 179.706 177.584 -0.173 0.000 1.193 403 A CA 1.698 53.643 52.037 -0.154 0.000 0.629 403 A CB -0.751 17.997 19.000 -0.419 0.000 0.826 403 A HN 0.232 nan 8.150 nan 0.000 0.447 404 I N -0.165 120.315 120.570 -0.150 0.000 2.118 404 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 404 I C 2.332 178.412 176.117 -0.063 0.000 1.070 404 I CA 1.245 62.473 61.300 -0.121 0.000 1.327 404 I CB -0.467 37.403 38.000 -0.216 0.000 1.034 404 I HN 0.274 nan 8.210 nan 0.000 0.405 405 I N 0.908 121.423 120.570 -0.092 0.000 2.127 405 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 405 I C 2.531 178.666 176.117 0.032 0.000 1.075 405 I CA 1.850 63.139 61.300 -0.017 0.000 1.334 405 I CB -1.344 36.635 38.000 -0.035 0.000 1.040 405 I HN 0.362 nan 8.210 nan 0.000 0.405 406 E N 0.282 120.498 120.200 0.028 0.000 2.153 406 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 406 E C 2.005 178.631 176.600 0.044 0.000 0.988 406 E CA 1.069 57.501 56.400 0.054 0.000 0.811 406 E CB 0.037 29.799 29.700 0.104 0.000 0.746 406 E HN 0.340 nan 8.360 nan 0.000 0.466 407 V N -0.228 119.692 119.914 0.011 0.000 3.647 407 V HA 0.161 4.281 4.120 -0.000 0.000 0.279 407 V C 1.003 177.121 176.094 0.041 0.000 1.314 407 V CA 0.516 62.819 62.300 0.005 0.000 1.125 407 V CB -0.493 31.294 31.823 -0.061 0.000 0.907 407 V HN 0.455 nan 8.190 nan 0.000 0.434 408 G N 0.143 108.988 108.800 0.074 0.000 2.525 408 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.248 408 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.248 408 G C 0.013 175.021 174.900 0.179 0.000 1.238 408 G CA 0.298 45.470 45.100 0.119 0.000 0.926 408 G HN 1.304 nan 8.290 nan 0.000 0.574 409 V N 0.000 120.000 119.914 0.144 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.381 62.300 0.134 0.000 1.235 409 V CB 0.000 31.929 31.823 0.177 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556