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 1mxh_1_A DATA FIRST_RESID 11 DATA SEQUENCE CPAAVITGGA RRIGHSIAVR LHQQGFRVVV HYRHSEGAAQ RLVAELNAAR DATA SEQUENCE AGSAVLCKGD LSLSSSLLDC CEDIIDCSFR AFGRCDVLVN NASAYYPTPL DATA SEQUENCE LPXXXXXXXX XXXPIDAQVA ELFGSNAVAP LFLIRAFARR QXXXXXXXSR DATA SEQUENCE NLSVVNLCDA MTDLPLPGFC VYTMAKHALG GLTRAAALEL APRHIRVNAV DATA SEQUENCE APGLSLLPPA MPQETQEEYR RKVPLGQSEA SAAQIADAIA FLVSKDAGYI DATA SEQUENCE TGTTLKVDGG LILARA 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 11 C HA 0.000 nan 4.460 nan 0.000 0.325 11 C C 0.000 174.875 174.990 -0.192 0.000 1.270 11 C CA 0.000 58.909 59.018 -0.182 0.000 1.963 11 C CB 0.000 27.630 27.740 -0.184 0.000 2.134 12 P HA 0.466 nan 4.420 nan 0.000 0.274 12 P C -0.862 176.409 177.300 -0.047 0.000 1.231 12 P CA 0.204 63.208 63.100 -0.160 0.000 0.790 12 P CB 1.080 32.624 31.700 -0.259 0.000 0.951 13 A N 1.713 124.548 122.820 0.025 0.000 2.337 13 A HA 0.751 5.071 4.320 0.001 0.000 0.329 13 A C -0.635 176.994 177.584 0.076 0.000 1.146 13 A CA -0.631 51.364 52.037 -0.070 0.000 0.800 13 A CB 1.232 20.141 19.000 -0.151 0.000 1.220 13 A HN 0.642 nan 8.150 nan 0.000 0.472 14 A N 1.234 124.051 122.820 -0.005 0.000 2.414 14 A HA 0.676 4.996 4.320 0.001 0.000 0.306 14 A C -1.096 176.482 177.584 -0.010 0.000 1.054 14 A CA -0.441 51.550 52.037 -0.077 0.000 0.724 14 A CB 1.458 20.246 19.000 -0.354 0.000 1.267 14 A HN 1.108 nan 8.150 nan 0.000 0.418 15 V N 2.889 122.809 119.914 0.010 0.000 2.370 15 V HA 0.402 4.523 4.120 0.001 0.000 0.283 15 V C -0.914 175.179 176.094 -0.002 0.000 1.023 15 V CA -0.131 62.197 62.300 0.047 0.000 0.857 15 V CB 1.051 32.922 31.823 0.080 0.000 0.985 15 V HN 0.656 nan 8.190 nan 0.000 0.443 16 I N 4.739 125.326 120.570 0.029 0.000 2.390 16 I HA 0.315 4.486 4.170 0.001 0.000 0.283 16 I C 0.736 176.902 176.117 0.083 0.000 1.016 16 I CA -0.103 61.208 61.300 0.019 0.000 1.151 16 I CB 1.818 39.826 38.000 0.014 0.000 1.293 16 I HN 0.708 nan 8.210 nan 0.000 0.458 17 T N 1.902 116.477 114.554 0.034 0.000 2.919 17 T HA 0.462 4.813 4.350 0.001 0.000 0.302 17 T C 1.119 175.959 174.700 0.233 0.000 1.031 17 T CA -0.068 62.082 62.100 0.084 0.000 1.127 17 T CB 1.091 69.860 68.868 -0.166 0.000 0.952 17 T HN 1.190 nan 8.240 nan 0.000 0.540 18 G N 1.578 110.661 108.800 0.472 0.000 2.323 18 G HA2 -0.139 3.822 3.960 0.001 0.000 0.292 18 G HA3 -0.139 3.822 3.960 0.001 0.000 0.292 18 G C 0.786 175.782 174.900 0.160 0.000 1.040 18 G CA 0.079 45.319 45.100 0.234 0.000 0.942 18 G HN 1.474 nan 8.290 nan 0.000 0.506 19 G N -0.944 107.954 108.800 0.162 0.000 3.042 19 G HA2 0.459 4.420 3.960 0.001 0.000 0.212 19 G HA3 0.459 4.420 3.960 0.001 0.000 0.212 19 G C 1.616 176.578 174.900 0.104 0.000 1.166 19 G CA 1.449 46.615 45.100 0.110 0.000 0.767 19 G HN 1.308 nan 8.290 nan 0.000 0.546 20 A N 0.522 123.415 122.820 0.122 0.000 1.902 20 A HA 0.187 4.507 4.320 0.001 0.000 0.217 20 A C 1.595 179.299 177.584 0.200 0.000 1.181 20 A CA 0.813 52.918 52.037 0.113 0.000 0.623 20 A CB 0.033 19.073 19.000 0.067 0.000 0.818 20 A HN 0.395 nan 8.150 nan 0.000 0.443 21 R N -3.792 116.807 120.500 0.165 0.000 2.831 21 R HA 0.623 4.963 4.340 0.001 0.000 0.266 21 R C 0.179 176.535 176.300 0.094 0.000 1.051 21 R CA -0.955 55.215 56.100 0.116 0.000 0.943 21 R CB 1.087 31.414 30.300 0.044 0.000 1.228 21 R HN 0.326 nan 8.270 nan 0.000 0.467 22 R N -0.406 120.099 120.500 0.008 0.000 3.835 22 R HA -0.319 4.022 4.340 0.001 0.000 0.455 22 R C 1.541 177.867 176.300 0.044 0.000 0.241 22 R CA 1.640 57.743 56.100 0.004 0.000 1.439 22 R CB -1.478 28.828 30.300 0.010 0.000 0.987 22 R HN 0.627 nan 8.270 nan 0.000 0.570 23 I N 0.314 120.904 120.570 0.034 0.000 2.118 23 I HA -0.252 3.918 4.170 0.001 0.000 0.241 23 I C 2.552 178.706 176.117 0.061 0.000 1.070 23 I CA 2.054 63.376 61.300 0.036 0.000 1.327 23 I CB -0.732 37.276 38.000 0.013 0.000 1.034 23 I HN 0.786 nan 8.210 nan 0.000 0.405 24 G N -0.331 108.510 108.800 0.068 0.000 2.469 24 G HA2 -0.332 3.629 3.960 0.001 0.000 0.220 24 G HA3 -0.332 3.629 3.960 0.001 0.000 0.220 24 G C 1.651 176.611 174.900 0.099 0.000 1.136 24 G CA 1.063 46.207 45.100 0.073 0.000 0.759 24 G HN 0.437 nan 8.290 nan 0.000 0.562 25 H N 0.708 119.790 119.070 0.020 0.000 2.357 25 H HA -0.016 4.540 4.556 0.001 0.000 0.301 25 H C 2.638 177.972 175.328 0.010 0.000 1.082 25 H CA 1.696 57.753 56.048 0.015 0.000 1.342 25 H CB -0.388 29.379 29.762 0.008 0.000 1.389 25 H HN 0.338 nan 8.280 nan 0.000 0.511 26 S N -0.300 115.548 115.700 0.245 0.000 2.402 26 S HA -0.023 4.447 4.470 0.001 0.000 0.229 26 S C 2.395 177.044 174.600 0.082 0.000 1.021 26 S CA 0.843 59.141 58.200 0.164 0.000 0.974 26 S CB -0.191 63.066 63.200 0.095 0.000 0.800 26 S HN 0.404 nan 8.310 nan 0.000 0.484 27 I N 1.427 122.027 120.570 0.050 0.000 2.163 27 I HA -0.108 4.062 4.170 0.001 0.000 0.240 27 I C 2.823 178.938 176.117 -0.004 0.000 1.081 27 I CA 0.999 62.306 61.300 0.011 0.000 1.353 27 I CB -0.654 37.340 38.000 -0.010 0.000 1.054 27 I HN 0.335 nan 8.210 nan 0.000 0.407 28 A N 0.678 123.489 122.820 -0.014 0.000 1.884 28 A HA -0.218 4.103 4.320 0.001 0.000 0.219 28 A C 2.441 180.024 177.584 -0.003 0.000 1.197 28 A CA 2.363 54.381 52.037 -0.032 0.000 0.637 28 A CB -1.187 17.763 19.000 -0.084 0.000 0.827 28 A HN 0.256 nan 8.150 nan 0.000 0.450 29 V N -0.140 119.758 119.914 -0.027 0.000 2.343 29 V HA -0.229 3.892 4.120 0.001 0.000 0.247 29 V C 2.685 178.834 176.094 0.091 0.000 1.051 29 V CA 2.371 64.680 62.300 0.015 0.000 1.036 29 V CB -0.834 31.004 31.823 0.025 0.000 0.654 29 V HN 0.648 nan 8.190 nan 0.000 0.451 30 R N 0.539 121.083 120.500 0.073 0.000 2.073 30 R HA -0.103 4.237 4.340 0.001 0.000 0.234 30 R C 2.033 178.396 176.300 0.105 0.000 1.134 30 R CA 1.841 57.989 56.100 0.080 0.000 0.952 30 R CB -0.880 29.454 30.300 0.058 0.000 0.850 30 R HN 0.488 nan 8.270 nan 0.000 0.433 31 L N -0.381 120.891 121.223 0.083 0.000 2.093 31 L HA -0.164 4.177 4.340 0.001 0.000 0.208 31 L C 2.632 179.654 176.870 0.253 0.000 1.085 31 L CA 1.507 56.425 54.840 0.130 0.000 0.755 31 L CB -0.783 41.193 42.059 -0.138 0.000 0.904 31 L HN 0.423 nan 8.230 nan 0.000 0.435 32 H N 0.864 119.988 119.070 0.090 0.000 2.353 32 H HA -0.163 4.393 4.556 0.001 0.000 0.300 32 H C 2.014 177.377 175.328 0.059 0.000 1.090 32 H CA 1.658 57.748 56.048 0.070 0.000 1.327 32 H CB 0.196 29.970 29.762 0.019 0.000 1.383 32 H HN 0.431 nan 8.280 nan 0.000 0.508 33 Q N 0.031 119.952 119.800 0.201 0.000 2.291 33 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 33 Q C 1.738 177.768 176.000 0.049 0.000 0.976 33 Q CA 0.939 56.818 55.803 0.127 0.000 0.875 33 Q CB 0.099 28.907 28.738 0.117 0.000 0.927 33 Q HN 0.613 nan 8.270 nan 0.000 0.450 34 Q N -1.222 118.621 119.800 0.071 0.000 2.320 34 Q HA 0.101 4.442 4.340 0.001 0.000 0.201 34 Q C 0.563 176.510 176.000 -0.087 0.000 0.910 34 Q CA 0.366 56.193 55.803 0.040 0.000 0.946 34 Q CB 0.912 29.734 28.738 0.141 0.000 1.062 34 Q HN 0.516 nan 8.270 nan 0.000 0.503 35 G N 0.220 108.932 108.800 -0.147 0.000 2.179 35 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 35 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 35 G C -0.228 174.455 174.900 -0.361 0.000 0.990 35 G CA -0.623 44.311 45.100 -0.276 0.000 0.646 35 G HN 0.231 nan 8.290 nan 0.000 0.517 36 F N 1.074 120.887 119.950 -0.228 0.000 2.399 36 F HA 0.666 5.194 4.527 0.001 0.000 0.342 36 F C 1.258 176.861 175.800 -0.328 0.000 1.106 36 F CA -0.349 57.511 58.000 -0.233 0.000 1.196 36 F CB 0.840 39.750 39.000 -0.149 0.000 1.163 36 F HN -0.063 nan 8.300 nan 0.000 0.547 37 R N 1.856 122.216 120.500 -0.234 0.000 2.254 37 R HA 0.551 4.892 4.340 0.001 0.000 0.318 37 R C -1.090 174.909 176.300 -0.500 0.000 1.031 37 R CA -0.560 55.206 56.100 -0.558 0.000 0.905 37 R CB 1.059 30.640 30.300 -1.199 0.000 1.050 37 R HN 0.523 nan 8.270 nan 0.000 0.456 38 V N 0.406 120.223 119.914 -0.162 0.000 2.815 38 V HA 0.637 4.758 4.120 0.001 0.000 0.314 38 V C -0.417 175.831 176.094 0.257 0.000 1.064 38 V CA -0.875 61.448 62.300 0.039 0.000 0.952 38 V CB 2.201 34.075 31.823 0.084 0.000 1.020 38 V HN 0.364 nan 8.190 nan 0.000 0.439 39 V N 4.013 124.071 119.914 0.240 0.000 2.293 39 V HA 0.294 4.415 4.120 0.001 0.000 0.275 39 V C 0.086 176.289 176.094 0.182 0.000 1.021 39 V CA -0.435 62.020 62.300 0.260 0.000 0.815 39 V CB 1.273 33.246 31.823 0.250 0.000 1.025 39 V HN 0.763 nan 8.190 nan 0.000 0.448 40 V N 5.804 125.819 119.914 0.169 0.000 2.387 40 V HA 0.163 4.283 4.120 0.001 0.000 0.260 40 V C 0.457 176.686 176.094 0.224 0.000 1.054 40 V CA -0.227 62.165 62.300 0.153 0.000 0.967 40 V CB 0.114 31.994 31.823 0.096 0.000 1.036 40 V HN 0.845 nan 8.190 nan 0.000 0.481 41 H N 6.560 125.704 119.070 0.124 0.000 2.472 41 H HA 0.538 5.094 4.556 0.001 0.000 0.335 41 H C -1.003 174.420 175.328 0.158 0.000 1.136 41 H CA -0.365 55.740 56.048 0.096 0.000 1.264 41 H CB 1.686 31.465 29.762 0.027 0.000 1.486 41 H HN 0.644 nan 8.280 nan 0.000 0.517 42 Y N 2.075 121.855 120.300 -0.867 0.000 2.728 42 Y HA 0.404 4.954 4.550 0.001 0.000 0.330 42 Y C 0.327 175.858 175.900 -0.615 0.000 1.234 42 Y CA -1.137 56.617 58.100 -0.578 0.000 1.070 42 Y CB 1.153 39.491 38.460 -0.203 0.000 1.300 42 Y HN 0.562 nan 8.280 nan 0.000 0.467 43 R N -1.009 119.371 120.500 -0.201 0.000 2.493 43 R HA 0.292 4.632 4.340 0.001 0.000 0.177 43 R C 0.343 176.721 176.300 0.130 0.000 0.861 43 R CA 0.579 56.540 56.100 -0.232 0.000 1.083 43 R CB 0.303 30.389 30.300 -0.356 0.000 1.328 43 R HN 1.044 nan 8.270 nan 0.000 0.615 44 H N -1.419 117.786 119.070 0.226 0.000 3.255 44 H HA 0.333 4.889 4.556 0.001 0.000 0.256 44 H C -0.089 175.322 175.328 0.139 0.000 1.049 44 H CA -0.219 55.938 56.048 0.182 0.000 1.202 44 H CB 1.305 31.129 29.762 0.104 0.000 1.497 44 H HN -0.029 nan 8.280 nan 0.000 0.503 45 S N 2.084 117.921 115.700 0.227 0.000 3.513 45 S HA -0.039 4.432 4.470 0.001 0.000 0.209 45 S C 1.485 175.908 174.600 -0.294 0.000 1.446 45 S CA -0.093 58.115 58.200 0.014 0.000 1.150 45 S CB 0.297 63.517 63.200 0.033 0.000 1.266 45 S HN 0.351 nan 8.310 nan 0.000 0.502 46 E N 2.721 122.669 120.200 -0.419 0.000 2.070 46 E HA -0.174 4.176 4.350 0.001 0.000 0.197 46 E C 2.049 178.389 176.600 -0.434 0.000 1.004 46 E CA 1.713 57.631 56.400 -0.803 0.000 0.805 46 E CB -0.499 29.021 29.700 -0.300 0.000 0.744 46 E HN 0.624 nan 8.360 nan 0.000 0.451 47 G N 0.768 109.441 108.800 -0.212 0.000 2.446 47 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 47 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 47 G C 1.768 176.600 174.900 -0.112 0.000 1.168 47 G CA 1.734 46.758 45.100 -0.127 0.000 0.771 47 G HN 0.462 nan 8.290 nan 0.000 0.551 48 A N 1.085 123.844 122.820 -0.103 0.000 1.898 48 A HA 0.310 4.630 4.320 0.001 0.000 0.216 48 A C 2.826 180.379 177.584 -0.052 0.000 1.181 48 A CA 2.174 54.186 52.037 -0.041 0.000 0.620 48 A CB -0.785 18.214 19.000 -0.003 0.000 0.819 48 A HN 0.787 nan 8.150 nan 0.000 0.442 49 A N -0.669 122.051 122.820 -0.166 0.000 1.865 49 A HA -0.264 4.056 4.320 0.001 0.000 0.217 49 A C 2.236 179.748 177.584 -0.120 0.000 1.191 49 A CA 1.905 53.840 52.037 -0.171 0.000 0.623 49 A CB -0.694 18.050 19.000 -0.426 0.000 0.826 49 A HN 0.652 nan 8.150 nan 0.000 0.444 50 Q N -0.613 119.096 119.800 -0.153 0.000 2.084 50 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 50 Q C 2.280 178.252 176.000 -0.046 0.000 0.978 50 Q CA 1.515 57.269 55.803 -0.082 0.000 0.844 50 Q CB -0.130 28.558 28.738 -0.083 0.000 0.898 50 Q HN 0.663 nan 8.270 nan 0.000 0.426 51 R N -0.097 120.380 120.500 -0.040 0.000 2.120 51 R HA -0.142 4.199 4.340 0.001 0.000 0.234 51 R C 2.318 178.614 176.300 -0.006 0.000 1.123 51 R CA 1.001 57.093 56.100 -0.012 0.000 0.975 51 R CB -0.189 30.113 30.300 0.003 0.000 0.866 51 R HN 0.264 nan 8.270 nan 0.000 0.446 52 L N 0.278 121.490 121.223 -0.018 0.000 2.049 52 L HA -0.070 4.271 4.340 0.001 0.000 0.203 52 L C 2.021 178.839 176.870 -0.087 0.000 1.074 52 L CA 1.500 56.298 54.840 -0.070 0.000 0.749 52 L CB -0.494 41.464 42.059 -0.168 0.000 0.907 52 L HN -0.161 nan 8.230 nan 0.000 0.439 53 V N 0.636 120.518 119.914 -0.054 0.000 2.469 53 V HA -0.313 3.807 4.120 0.001 0.000 0.251 53 V C 2.820 178.903 176.094 -0.018 0.000 1.064 53 V CA 1.635 63.923 62.300 -0.020 0.000 1.066 53 V CB -1.543 30.292 31.823 0.020 0.000 0.667 53 V HN 0.618 nan 8.190 nan 0.000 0.461 54 A N -0.440 122.368 122.820 -0.020 0.000 1.873 54 A HA -0.240 4.080 4.320 0.001 0.000 0.215 54 A C 2.335 179.906 177.584 -0.021 0.000 1.186 54 A CA 1.759 53.790 52.037 -0.011 0.000 0.616 54 A CB -0.481 18.513 19.000 -0.009 0.000 0.823 54 A HN 0.597 nan 8.150 nan 0.000 0.442 55 E N 0.010 120.187 120.200 -0.038 0.000 2.077 55 E HA -0.174 4.176 4.350 0.001 0.000 0.193 55 E C 1.952 178.496 176.600 -0.094 0.000 0.989 55 E CA 1.209 57.579 56.400 -0.049 0.000 0.800 55 E CB -0.208 29.466 29.700 -0.043 0.000 0.746 55 E HN 0.639 nan 8.360 nan 0.000 0.452 56 L N 0.501 121.622 121.223 -0.169 0.000 2.027 56 L HA -0.160 4.180 4.340 0.001 0.000 0.206 56 L C 2.221 179.040 176.870 -0.085 0.000 1.074 56 L CA 1.391 56.027 54.840 -0.339 0.000 0.745 56 L CB -0.548 41.217 42.059 -0.491 0.000 0.898 56 L HN 0.178 nan 8.230 nan 0.000 0.433 57 N N -0.172 118.528 118.700 0.000 0.000 2.381 57 N HA -0.108 4.633 4.740 0.001 0.000 0.182 57 N C 1.762 177.303 175.510 0.051 0.000 1.025 57 N CA 0.709 53.798 53.050 0.066 0.000 0.888 57 N CB -0.021 38.503 38.487 0.062 0.000 0.965 57 N HN 0.312 nan 8.380 nan 0.000 0.438 58 A N 0.541 123.374 122.820 0.023 0.000 2.067 58 A HA 0.191 4.511 4.320 0.001 0.000 0.217 58 A C 2.123 179.729 177.584 0.036 0.000 1.156 58 A CA 1.116 53.167 52.037 0.024 0.000 0.683 58 A CB -0.141 18.864 19.000 0.009 0.000 0.808 58 A HN 0.317 nan 8.150 nan 0.000 0.455 59 A N -1.071 121.779 122.820 0.049 0.000 2.044 59 A HA 0.388 4.708 4.320 0.001 0.000 0.213 59 A C 0.989 178.638 177.584 0.108 0.000 1.169 59 A CA 0.221 52.306 52.037 0.080 0.000 0.724 59 A CB 0.214 19.277 19.000 0.105 0.000 0.840 59 A HN 0.347 nan 8.150 nan 0.000 0.463 60 R N -0.860 119.719 120.500 0.132 0.000 2.585 60 R HA 0.443 4.783 4.340 0.001 0.000 0.288 60 R C -0.768 175.601 176.300 0.115 0.000 1.194 60 R CA -0.045 56.123 56.100 0.115 0.000 1.006 60 R CB 1.530 31.899 30.300 0.116 0.000 1.229 60 R HN 0.294 nan 8.270 nan 0.000 0.412 61 A N 1.387 124.255 122.820 0.081 0.000 2.567 61 A HA 0.387 4.708 4.320 0.001 0.000 0.240 61 A C 1.365 179.011 177.584 0.103 0.000 1.053 61 A CA 1.197 53.281 52.037 0.079 0.000 0.755 61 A CB -0.234 18.799 19.000 0.056 0.000 0.978 61 A HN 1.094 nan 8.150 nan 0.000 0.507 62 G N 1.587 110.458 108.800 0.118 0.000 2.225 62 G HA2 -0.242 3.718 3.960 0.001 0.000 0.267 62 G HA3 -0.242 3.718 3.960 0.001 0.000 0.267 62 G C 0.824 175.893 174.900 0.281 0.000 1.024 62 G CA 1.203 46.401 45.100 0.162 0.000 0.784 62 G HN 2.170 nan 8.290 nan 0.000 0.507 63 S N -1.856 113.998 115.700 0.256 0.000 2.556 63 S HA 0.732 5.203 4.470 0.001 0.000 0.216 63 S C 0.756 175.551 174.600 0.326 0.000 0.970 63 S CA 0.971 59.324 58.200 0.254 0.000 0.912 63 S CB 0.763 64.091 63.200 0.213 0.000 0.790 63 S HN 1.995 nan 8.310 nan 0.000 0.504 64 A N 0.291 123.335 122.820 0.373 0.000 2.540 64 A HA 0.755 5.075 4.320 0.001 0.000 0.297 64 A C -1.188 176.558 177.584 0.270 0.000 1.056 64 A CA -0.608 51.635 52.037 0.344 0.000 0.700 64 A CB 1.715 20.819 19.000 0.173 0.000 1.280 64 A HN 0.778 nan 8.150 nan 0.000 0.398 65 V N 3.313 123.386 119.914 0.265 0.000 3.007 65 V HA 0.824 4.944 4.120 0.001 0.000 0.311 65 V C -1.055 175.125 176.094 0.144 0.000 1.120 65 V CA -0.699 61.679 62.300 0.130 0.000 0.980 65 V CB 2.065 33.891 31.823 0.004 0.000 1.033 65 V HN 1.309 nan 8.190 nan 0.000 0.429 66 L N 3.581 124.880 121.223 0.128 0.000 2.332 66 L HA 0.978 5.318 4.340 0.001 0.000 0.269 66 L C -0.599 176.374 176.870 0.173 0.000 1.016 66 L CA -0.435 54.515 54.840 0.183 0.000 0.809 66 L CB 1.698 43.889 42.059 0.219 0.000 1.280 66 L HN 0.764 nan 8.230 nan 0.000 0.447 67 C N 1.729 121.130 119.300 0.169 0.000 2.701 67 C HA 0.481 4.942 4.460 0.001 0.000 0.336 67 C C -0.536 174.322 174.990 -0.220 0.000 1.123 67 C CA -0.640 58.410 59.018 0.053 0.000 1.326 67 C CB 1.740 29.547 27.740 0.113 0.000 1.833 67 C HN 1.014 nan 8.230 nan 0.000 0.473 68 K N 3.466 123.658 120.400 -0.347 0.000 2.164 68 K HA 0.789 5.109 4.320 0.001 0.000 0.258 68 K C -0.231 176.220 176.600 -0.249 0.000 0.951 68 K CA -0.025 55.846 56.287 -0.694 0.000 0.844 68 K CB 1.647 33.761 32.500 -0.643 0.000 1.099 68 K HN 1.149 nan 8.250 nan 0.000 0.435 69 G N 2.271 110.949 108.800 -0.204 0.000 2.498 69 G HA2 0.108 4.068 3.960 0.001 0.000 0.301 69 G HA3 0.108 4.068 3.960 0.001 0.000 0.301 69 G C -2.115 172.843 174.900 0.098 0.000 1.577 69 G CA -0.811 44.308 45.100 0.031 0.000 0.868 69 G HN 0.632 nan 8.290 nan 0.000 0.599 70 D N 0.838 121.277 120.400 0.065 0.000 2.225 70 D HA 0.448 5.088 4.640 0.001 0.000 0.248 70 D C 1.282 177.633 176.300 0.085 0.000 1.096 70 D CA -0.531 53.507 54.000 0.064 0.000 0.863 70 D CB 1.224 42.063 40.800 0.065 0.000 1.156 70 D HN 0.180 nan 8.370 nan 0.000 0.450 71 L N 2.024 123.296 121.223 0.082 0.000 2.628 71 L HA 0.210 4.551 4.340 0.001 0.000 0.229 71 L C 0.617 177.532 176.870 0.075 0.000 1.137 71 L CA -0.236 54.645 54.840 0.069 0.000 0.909 71 L CB -0.096 41.984 42.059 0.035 0.000 1.137 71 L HN 0.240 nan 8.230 nan 0.000 0.470 72 S N 0.743 116.495 115.700 0.086 0.000 2.589 72 S HA 0.296 4.767 4.470 0.001 0.000 0.265 72 S C 0.304 174.965 174.600 0.103 0.000 1.342 72 S CA -0.532 57.727 58.200 0.098 0.000 1.005 72 S CB 0.864 64.127 63.200 0.106 0.000 0.909 72 S HN 0.112 nan 8.310 nan 0.000 0.555 73 L N 2.633 123.919 121.223 0.105 0.000 2.455 73 L HA 0.323 4.664 4.340 0.001 0.000 0.272 73 L C 0.611 177.540 176.870 0.099 0.000 1.174 73 L CA 0.064 54.968 54.840 0.107 0.000 0.869 73 L CB -0.009 42.105 42.059 0.091 0.000 1.130 73 L HN 0.908 nan 8.230 nan 0.000 0.474 74 S N -0.395 115.370 115.700 0.109 0.000 2.643 74 S HA 0.128 4.599 4.470 0.001 0.000 0.266 74 S C 0.345 174.995 174.600 0.083 0.000 1.130 74 S CA -0.217 58.033 58.200 0.084 0.000 0.817 74 S CB 1.102 64.347 63.200 0.075 0.000 1.107 74 S HN 0.572 nan 8.310 nan 0.000 0.471 75 S N 0.503 116.237 115.700 0.057 0.000 2.474 75 S HA 0.031 4.501 4.470 0.001 0.000 0.235 75 S C 1.233 175.851 174.600 0.030 0.000 0.997 75 S CA 1.111 59.335 58.200 0.040 0.000 0.949 75 S CB -0.606 62.610 63.200 0.027 0.000 0.766 75 S HN 0.684 nan 8.310 nan 0.000 0.517 76 S N 0.871 116.595 115.700 0.041 0.000 2.535 76 S HA 0.310 4.781 4.470 0.001 0.000 0.214 76 S C 1.311 175.937 174.600 0.044 0.000 0.980 76 S CA -0.169 58.049 58.200 0.031 0.000 0.907 76 S CB -0.079 63.142 63.200 0.034 0.000 0.790 76 S HN 0.370 nan 8.310 nan 0.000 0.510 77 L N 2.375 123.650 121.223 0.086 0.000 1.989 77 L HA -0.022 4.318 4.340 0.001 0.000 0.211 77 L C 1.933 178.871 176.870 0.114 0.000 1.071 77 L CA 1.694 56.625 54.840 0.151 0.000 0.749 77 L CB -0.706 41.515 42.059 0.269 0.000 0.890 77 L HN 0.328 nan 8.230 nan 0.000 0.431 78 L N -0.828 120.357 121.223 -0.064 0.000 2.013 78 L HA -0.290 4.050 4.340 0.001 0.000 0.212 78 L C 2.168 178.930 176.870 -0.181 0.000 1.073 78 L CA 2.100 56.693 54.840 -0.412 0.000 0.753 78 L CB -0.570 41.142 42.059 -0.579 0.000 0.890 78 L HN 0.407 nan 8.230 nan 0.000 0.432 79 D N -0.997 119.344 120.400 -0.097 0.000 2.117 79 D HA -0.202 4.438 4.640 0.001 0.000 0.198 79 D C 2.172 178.467 176.300 -0.009 0.000 0.982 79 D CA 1.385 55.354 54.000 -0.051 0.000 0.828 79 D CB -0.543 40.237 40.800 -0.034 0.000 0.967 79 D HN 0.484 nan 8.370 nan 0.000 0.464 80 C N 0.561 119.871 119.300 0.016 0.000 2.429 80 C HA -0.165 4.296 4.460 0.001 0.000 0.277 80 C C 3.083 178.102 174.990 0.048 0.000 1.262 80 C CA 0.626 59.667 59.018 0.039 0.000 1.733 80 C CB -1.117 26.657 27.740 0.055 0.000 2.010 80 C HN 0.392 nan 8.230 nan 0.000 0.483 81 C N 0.359 119.698 119.300 0.065 0.000 2.425 81 C HA -0.055 4.405 4.460 0.001 0.000 0.277 81 C C 2.650 177.681 174.990 0.069 0.000 1.280 81 C CA 0.877 59.943 59.018 0.081 0.000 1.744 81 C CB -1.248 26.593 27.740 0.169 0.000 1.989 81 C HN 0.631 nan 8.230 nan 0.000 0.491 82 E N 1.042 121.264 120.200 0.038 0.000 2.077 82 E HA -0.167 4.183 4.350 0.001 0.000 0.193 82 E C 1.659 178.290 176.600 0.051 0.000 0.989 82 E CA 1.296 57.716 56.400 0.032 0.000 0.800 82 E CB -0.498 29.195 29.700 -0.012 0.000 0.746 82 E HN 0.629 nan 8.360 nan 0.000 0.452 83 D N 0.344 120.769 120.400 0.042 0.000 2.178 83 D HA -0.073 4.567 4.640 0.001 0.000 0.202 83 D C 2.123 178.467 176.300 0.073 0.000 0.974 83 D CA 0.472 54.501 54.000 0.050 0.000 0.841 83 D CB -0.104 40.718 40.800 0.036 0.000 0.953 83 D HN 0.233 nan 8.370 nan 0.000 0.478 84 I N 0.736 121.351 120.570 0.074 0.000 2.252 84 I HA -0.220 3.951 4.170 0.001 0.000 0.245 84 I C 2.168 178.355 176.117 0.118 0.000 1.102 84 I CA 0.560 61.910 61.300 0.084 0.000 1.385 84 I CB -0.038 37.983 38.000 0.035 0.000 1.064 84 I HN -0.026 nan 8.210 nan 0.000 0.414 85 I N 0.434 121.090 120.570 0.144 0.000 2.286 85 I HA -0.271 3.899 4.170 0.001 0.000 0.245 85 I C 2.357 178.649 176.117 0.292 0.000 1.104 85 I CA 1.513 62.949 61.300 0.226 0.000 1.397 85 I CB -1.293 36.863 38.000 0.259 0.000 1.072 85 I HN 0.366 nan 8.210 nan 0.000 0.417 86 D N 0.157 120.687 120.400 0.216 0.000 2.265 86 D HA -0.231 4.409 4.640 0.001 0.000 0.208 86 D C 2.330 178.744 176.300 0.190 0.000 0.977 86 D CA 0.920 55.043 54.000 0.206 0.000 0.871 86 D CB 0.311 41.164 40.800 0.087 0.000 0.925 86 D HN 0.362 nan 8.370 nan 0.000 0.485 87 C N -0.223 119.161 119.300 0.140 0.000 2.440 87 C HA -0.048 4.412 4.460 0.001 0.000 0.278 87 C C 3.041 178.068 174.990 0.061 0.000 1.295 87 C CA 1.383 60.450 59.018 0.083 0.000 1.738 87 C CB -1.156 26.631 27.740 0.079 0.000 1.987 87 C HN 0.336 nan 8.230 nan 0.000 0.492 88 S N -0.648 115.120 115.700 0.113 0.000 2.368 88 S HA -0.099 4.371 4.470 0.001 0.000 0.225 88 S C 1.553 176.157 174.600 0.006 0.000 1.030 88 S CA 1.632 59.892 58.200 0.100 0.000 0.999 88 S CB -0.525 62.698 63.200 0.039 0.000 0.844 88 S HN 0.637 nan 8.310 nan 0.000 0.459 89 F N 1.562 121.553 119.950 0.069 0.000 2.234 89 F HA 0.106 4.633 4.527 0.001 0.000 0.299 89 F C 2.533 178.326 175.800 -0.011 0.000 1.087 89 F CA 0.996 59.018 58.000 0.037 0.000 1.340 89 F CB -0.201 38.806 39.000 0.013 0.000 1.031 89 F HN 0.117 nan 8.300 nan 0.000 0.500 90 R N -0.332 120.239 120.500 0.118 0.000 2.073 90 R HA 0.004 4.344 4.340 0.001 0.000 0.229 90 R C 2.398 178.636 176.300 -0.104 0.000 1.120 90 R CA 1.145 57.255 56.100 0.017 0.000 0.967 90 R CB -0.606 29.695 30.300 0.002 0.000 0.862 90 R HN 0.232 nan 8.270 nan 0.000 0.436 91 A N 0.005 122.658 122.820 -0.278 0.000 1.898 91 A HA -0.009 4.312 4.320 0.001 0.000 0.214 91 A C 1.235 178.402 177.584 -0.695 0.000 1.183 91 A CA 0.959 52.619 52.037 -0.628 0.000 0.622 91 A CB -0.017 18.320 19.000 -1.104 0.000 0.824 91 A HN 0.252 nan 8.150 nan 0.000 0.444 92 F N -1.697 118.257 119.950 0.008 0.000 2.728 92 F HA 0.410 4.938 4.527 0.001 0.000 0.314 92 F C 1.696 177.486 175.800 -0.015 0.000 1.094 92 F CA -0.125 57.867 58.000 -0.013 0.000 1.217 92 F CB -0.006 38.971 39.000 -0.038 0.000 1.056 92 F HN 0.308 nan 8.300 nan 0.000 0.577 93 G N 1.748 110.625 108.800 0.128 0.000 2.155 93 G HA2 -0.301 3.660 3.960 0.001 0.000 0.257 93 G HA3 -0.301 3.660 3.960 0.001 0.000 0.257 93 G C 0.284 175.276 174.900 0.153 0.000 0.983 93 G CA 0.487 45.689 45.100 0.170 0.000 0.676 93 G HN 0.616 nan 8.290 nan 0.000 0.528 94 R N -2.623 117.792 120.500 -0.142 0.000 2.728 94 R HA 0.635 4.976 4.340 0.001 0.000 0.274 94 R C -1.623 174.211 176.300 -0.777 0.000 1.032 94 R CA -0.468 55.350 56.100 -0.470 0.000 0.866 94 R CB 0.708 30.939 30.300 -0.114 0.000 1.263 94 R HN 0.709 nan 8.270 nan 0.000 0.475 95 C N 1.881 120.699 119.300 -0.803 0.000 2.679 95 C HA 0.393 4.854 4.460 0.001 0.000 0.354 95 C C -0.400 174.507 174.990 -0.138 0.000 1.067 95 C CA -0.335 58.429 59.018 -0.424 0.000 1.317 95 C CB 0.511 27.951 27.740 -0.500 0.000 1.843 95 C HN 1.017 nan 8.230 nan 0.000 0.459 96 D N 2.049 122.502 120.400 0.089 0.000 2.324 96 D HA 0.194 4.835 4.640 0.001 0.000 0.212 96 D C 0.107 176.648 176.300 0.401 0.000 0.984 96 D CA 0.690 54.829 54.000 0.232 0.000 0.885 96 D CB 0.474 41.405 40.800 0.218 0.000 0.996 96 D HN 0.363 nan 8.370 nan 0.000 0.505 97 V N 1.296 121.368 119.914 0.262 0.000 2.709 97 V HA 0.435 4.556 4.120 0.001 0.000 0.308 97 V C -1.402 174.652 176.094 -0.066 0.000 1.062 97 V CA -0.993 61.316 62.300 0.014 0.000 0.901 97 V CB 2.525 34.188 31.823 -0.267 0.000 1.003 97 V HN -0.027 nan 8.190 nan 0.000 0.425 98 L N 6.210 127.263 121.223 -0.283 0.000 2.349 98 L HA 0.762 5.102 4.340 0.001 0.000 0.278 98 L C -0.868 175.859 176.870 -0.239 0.000 0.996 98 L CA -0.135 54.542 54.840 -0.272 0.000 0.825 98 L CB 1.921 43.693 42.059 -0.478 0.000 1.243 98 L HN 0.415 nan 8.230 nan 0.000 0.412 99 V N 4.892 124.708 119.914 -0.162 0.000 2.326 99 V HA 0.374 4.494 4.120 0.001 0.000 0.281 99 V C -0.013 176.018 176.094 -0.104 0.000 1.015 99 V CA -0.540 61.678 62.300 -0.136 0.000 0.823 99 V CB 1.031 32.784 31.823 -0.116 0.000 1.009 99 V HN 0.784 nan 8.190 nan 0.000 0.436 100 N N 4.255 122.889 118.700 -0.111 0.000 2.605 100 N HA 0.106 4.847 4.740 0.001 0.000 0.258 100 N C 1.109 176.579 175.510 -0.067 0.000 1.156 100 N CA -0.218 52.776 53.050 -0.094 0.000 1.008 100 N CB 0.241 38.665 38.487 -0.105 0.000 1.354 100 N HN 0.686 nan 8.380 nan 0.000 0.509 101 N N 1.843 120.519 118.700 -0.040 0.000 2.407 101 N HA 0.023 4.763 4.740 0.001 0.000 0.182 101 N C 0.066 175.585 175.510 0.015 0.000 1.079 101 N CA -0.088 52.953 53.050 -0.013 0.000 0.882 101 N CB 0.342 38.829 38.487 0.000 0.000 1.106 101 N HN 0.334 nan 8.380 nan 0.000 0.461 102 A N 0.999 123.837 122.820 0.031 0.000 2.540 102 A HA 0.356 4.676 4.320 0.001 0.000 0.239 102 A C 0.038 177.649 177.584 0.045 0.000 1.061 102 A CA 0.348 52.425 52.037 0.068 0.000 0.758 102 A CB 0.000 19.061 19.000 0.101 0.000 0.991 102 A HN 0.346 nan 8.150 nan 0.000 0.502 103 S N 1.036 116.778 115.700 0.071 0.000 2.548 103 S HA 0.607 5.077 4.470 0.001 0.000 0.278 103 S C -0.653 174.023 174.600 0.127 0.000 1.150 103 S CA 0.044 58.296 58.200 0.087 0.000 0.907 103 S CB 1.039 64.296 63.200 0.095 0.000 1.108 103 S HN 2.034 nan 8.310 nan 0.000 0.459 104 A N 3.406 126.303 122.820 0.127 0.000 2.309 104 A HA 0.737 5.057 4.320 0.001 0.000 0.298 104 A C -1.261 176.389 177.584 0.111 0.000 1.165 104 A CA -0.373 51.736 52.037 0.120 0.000 0.821 104 A CB 0.409 19.457 19.000 0.081 0.000 1.102 104 A HN 1.222 nan 8.150 nan 0.000 0.500 105 Y N 3.724 123.966 120.300 -0.097 0.000 2.317 105 Y HA 0.546 5.097 4.550 0.000 0.000 0.325 105 Y C -1.556 174.315 175.900 -0.049 0.000 1.066 105 Y CA -1.166 56.798 58.100 -0.226 0.000 1.203 105 Y CB 1.065 39.370 38.460 -0.258 0.000 1.127 105 Y HN 0.825 nan 8.280 nan 0.000 0.451 106 Y N 4.560 124.636 120.300 -0.373 0.000 2.702 106 Y HA 0.732 5.283 4.550 0.001 0.000 0.336 106 Y C -3.272 172.206 175.900 -0.704 0.000 1.203 106 Y CA -3.200 54.633 58.100 -0.446 0.000 1.072 106 Y CB 0.500 38.825 38.460 -0.224 0.000 1.327 106 Y HN 0.312 nan 8.280 nan 0.000 0.456 107 P HA 0.214 nan 4.420 nan 0.000 0.270 107 P C -0.245 176.873 177.300 -0.305 0.000 1.223 107 P CA 0.112 62.600 63.100 -1.020 0.000 0.785 107 P CB 1.114 32.297 31.700 -0.863 0.000 0.923 108 T N -2.633 111.770 114.554 -0.250 0.000 3.905 108 T HA 0.261 4.611 4.350 0.001 0.000 0.227 108 T C -2.547 172.124 174.700 -0.049 0.000 1.055 108 T CA -1.508 60.556 62.100 -0.060 0.000 1.607 108 T CB -0.268 68.618 68.868 0.030 0.000 0.781 108 T HN 0.264 nan 8.240 nan 0.000 0.639 109 P HA 0.144 nan 4.420 nan 0.000 0.264 109 P C 1.150 178.447 177.300 -0.004 0.000 1.183 109 P CA -0.374 62.709 63.100 -0.029 0.000 0.763 109 P CB 1.235 32.914 31.700 -0.035 0.000 0.807 110 L N 1.553 122.783 121.223 0.011 0.000 2.083 110 L HA -0.068 4.272 4.340 0.001 0.000 0.209 110 L C 1.180 178.054 176.870 0.007 0.000 1.083 110 L CA 1.049 55.897 54.840 0.013 0.000 0.752 110 L CB -0.395 41.676 42.059 0.020 0.000 0.899 110 L HN 0.348 nan 8.230 nan 0.000 0.433 111 L N -0.487 120.740 121.223 0.006 0.000 2.325 111 L HA 0.436 4.777 4.340 0.001 0.000 0.278 111 L C -1.549 175.320 176.870 -0.002 0.000 1.023 111 L CA -1.663 53.179 54.840 0.003 0.000 0.811 111 L CB 0.098 42.160 42.059 0.006 0.000 1.249 111 L HN -0.108 nan 8.230 nan 0.000 0.431 125 I N 2.803 123.387 120.570 0.023 0.000 2.069 125 I HA -0.308 3.863 4.170 0.001 0.000 0.237 125 I C 1.648 177.794 176.117 0.048 0.000 1.053 125 I CA 2.856 64.179 61.300 0.038 0.000 1.311 125 I CB -0.360 37.653 38.000 0.022 0.000 1.030 125 I HN 0.640 nan 8.210 nan 0.000 0.398 126 D N 0.607 121.023 120.400 0.026 0.000 2.311 126 D HA -0.144 4.497 4.640 0.001 0.000 0.212 126 D C 1.797 178.123 176.300 0.044 0.000 0.972 126 D CA 1.277 55.289 54.000 0.020 0.000 0.887 126 D CB -0.607 40.195 40.800 0.003 0.000 0.915 126 D HN 0.459 nan 8.370 nan 0.000 0.497 127 A N -0.013 122.842 122.820 0.058 0.000 2.021 127 A HA -0.060 4.261 4.320 0.001 0.000 0.216 127 A C 2.156 179.819 177.584 0.131 0.000 1.163 127 A CA 0.622 52.705 52.037 0.077 0.000 0.676 127 A CB -0.330 18.705 19.000 0.058 0.000 0.818 127 A HN 0.207 nan 8.150 nan 0.000 0.453 128 Q N -0.356 119.536 119.800 0.155 0.000 2.123 128 Q HA -0.064 4.277 4.340 0.001 0.000 0.199 128 Q C 2.031 178.169 176.000 0.230 0.000 0.966 128 Q CA 1.412 57.379 55.803 0.273 0.000 0.845 128 Q CB -0.233 28.682 28.738 0.295 0.000 0.907 128 Q HN 0.471 nan 8.270 nan 0.000 0.439 129 V N 1.165 121.177 119.914 0.164 0.000 2.295 129 V HA -0.283 3.837 4.120 0.001 0.000 0.246 129 V C 2.321 178.526 176.094 0.186 0.000 1.049 129 V CA 1.858 64.256 62.300 0.163 0.000 1.024 129 V CB -1.029 30.790 31.823 -0.007 0.000 0.648 129 V HN 0.387 nan 8.190 nan 0.000 0.447 130 A N -0.185 122.710 122.820 0.125 0.000 1.883 130 A HA -0.312 4.008 4.320 0.001 0.000 0.217 130 A C 2.303 179.979 177.584 0.153 0.000 1.186 130 A CA 2.313 54.423 52.037 0.121 0.000 0.624 130 A CB -0.521 18.535 19.000 0.093 0.000 0.822 130 A HN 0.661 nan 8.150 nan 0.000 0.444 131 E N -0.356 119.947 120.200 0.171 0.000 2.046 131 E HA -0.093 4.258 4.350 0.001 0.000 0.190 131 E C 1.987 178.670 176.600 0.139 0.000 0.982 131 E CA 0.893 57.396 56.400 0.171 0.000 0.800 131 E CB -0.207 29.636 29.700 0.238 0.000 0.756 131 E HN 0.590 nan 8.360 nan 0.000 0.449 132 L N -0.236 121.066 121.223 0.132 0.000 2.056 132 L HA -0.111 4.230 4.340 0.001 0.000 0.207 132 L C 2.338 179.221 176.870 0.022 0.000 1.078 132 L CA 0.885 55.753 54.840 0.047 0.000 0.749 132 L CB -0.324 41.744 42.059 0.015 0.000 0.901 132 L HN 0.186 nan 8.230 nan 0.000 0.433 133 F N 0.050 120.000 119.950 0.000 0.000 2.234 133 F HA -0.015 4.512 4.527 0.000 0.000 0.296 133 F C 2.388 178.163 175.800 -0.043 0.000 1.089 133 F CA 1.129 59.114 58.000 -0.025 0.000 1.343 133 F CB -0.861 38.125 39.000 -0.023 0.000 1.040 133 F HN -0.027 nan 8.300 nan 0.000 0.498 134 G N -0.262 108.626 108.800 0.148 0.000 2.484 134 G HA2 -0.297 3.664 3.960 0.001 0.000 0.215 134 G HA3 -0.297 3.664 3.960 0.001 0.000 0.215 134 G C 1.845 176.750 174.900 0.008 0.000 1.219 134 G CA 1.324 46.462 45.100 0.064 0.000 0.791 134 G HN 0.414 nan 8.290 nan 0.000 0.550 135 S N 0.888 116.603 115.700 0.024 0.000 2.368 135 S HA -0.130 4.340 4.470 0.001 0.000 0.225 135 S C 2.043 176.620 174.600 -0.037 0.000 1.030 135 S CA 1.591 59.794 58.200 0.006 0.000 0.999 135 S CB -0.426 62.799 63.200 0.042 0.000 0.844 135 S HN 0.381 nan 8.310 nan 0.000 0.459 136 N N 1.558 120.216 118.700 -0.069 0.000 2.376 136 N HA 0.249 4.989 4.740 0.001 0.000 0.177 136 N C 1.520 176.924 175.510 -0.176 0.000 1.024 136 N CA 1.205 54.176 53.050 -0.132 0.000 0.893 136 N CB -0.032 38.336 38.487 -0.200 0.000 0.980 136 N HN 0.651 nan 8.380 nan 0.000 0.439 137 A N -0.172 122.543 122.820 -0.174 0.000 1.935 137 A HA 0.192 4.512 4.320 0.001 0.000 0.202 137 A C 2.111 179.596 177.584 -0.166 0.000 1.772 137 A CA 0.024 51.959 52.037 -0.170 0.000 1.013 137 A CB -0.254 18.629 19.000 -0.195 0.000 1.077 137 A HN -0.031 nan 8.150 nan 0.000 0.565 138 V N 1.031 120.843 119.914 -0.170 0.000 2.358 138 V HA -0.176 3.945 4.120 0.001 0.000 0.246 138 V C 3.005 178.814 176.094 -0.475 0.000 1.047 138 V CA 2.139 64.218 62.300 -0.367 0.000 1.035 138 V CB -1.244 30.386 31.823 -0.323 0.000 0.658 138 V HN 0.576 nan 8.190 nan 0.000 0.452 139 A N 0.555 123.243 122.820 -0.219 0.000 1.877 139 A HA -0.108 4.212 4.320 0.001 0.000 0.216 139 A C 0.585 178.118 177.584 -0.085 0.000 1.186 139 A CA 1.990 53.971 52.037 -0.093 0.000 0.620 139 A CB -1.866 17.113 19.000 -0.035 0.000 0.822 139 A HN 0.519 nan 8.150 nan 0.000 0.443 140 P HA -0.145 nan 4.420 nan 0.000 0.216 140 P C 1.689 178.942 177.300 -0.078 0.000 1.150 140 P CA 0.991 64.035 63.100 -0.094 0.000 0.837 140 P CB -0.070 31.564 31.700 -0.111 0.000 0.786 141 L N -1.624 119.519 121.223 -0.134 0.000 2.017 141 L HA -0.135 4.206 4.340 0.001 0.000 0.208 141 L C 2.035 178.941 176.870 0.061 0.000 1.073 141 L CA 2.075 56.859 54.840 -0.093 0.000 0.745 141 L CB -1.412 40.529 42.059 -0.196 0.000 0.894 141 L HN -0.159 nan 8.230 nan 0.000 0.432 142 F N -0.308 119.647 119.950 0.009 0.000 2.186 142 F HA -0.118 4.409 4.527 0.000 0.000 0.299 142 F C 2.324 178.141 175.800 0.029 0.000 1.090 142 F CA 1.030 59.041 58.000 0.019 0.000 1.307 142 F CB -1.174 37.836 39.000 0.017 0.000 1.019 142 F HN 0.072 nan 8.300 nan 0.000 0.489 143 L N -0.623 120.718 121.223 0.197 0.000 2.056 143 L HA -0.206 4.134 4.340 0.001 0.000 0.207 143 L C 2.430 179.384 176.870 0.141 0.000 1.078 143 L CA 1.179 56.097 54.840 0.132 0.000 0.749 143 L CB -0.649 41.436 42.059 0.043 0.000 0.901 143 L HN 0.069 nan 8.230 nan 0.000 0.433 144 I N -0.530 120.089 120.570 0.082 0.000 2.252 144 I HA -0.287 3.884 4.170 0.001 0.000 0.245 144 I C 2.842 179.064 176.117 0.176 0.000 1.102 144 I CA 1.057 62.400 61.300 0.071 0.000 1.385 144 I CB -0.286 37.710 38.000 -0.006 0.000 1.064 144 I HN 0.230 nan 8.210 nan 0.000 0.414 145 R N 1.199 121.794 120.500 0.160 0.000 2.080 145 R HA -0.222 4.119 4.340 0.001 0.000 0.236 145 R C 2.390 178.783 176.300 0.155 0.000 1.137 145 R CA 1.994 58.187 56.100 0.155 0.000 0.943 145 R CB -0.335 30.070 30.300 0.175 0.000 0.846 145 R HN 0.362 nan 8.270 nan 0.000 0.431 146 A N 0.158 123.077 122.820 0.164 0.000 1.902 146 A HA -0.188 4.132 4.320 0.001 0.000 0.217 146 A C 2.035 179.735 177.584 0.194 0.000 1.181 146 A CA 1.373 53.492 52.037 0.137 0.000 0.623 146 A CB -0.831 18.245 19.000 0.128 0.000 0.818 146 A HN 0.564 nan 8.150 nan 0.000 0.443 147 F N 1.129 121.140 119.950 0.102 0.000 2.126 147 F HA -0.097 4.430 4.527 0.001 0.000 0.299 147 F C 2.430 178.303 175.800 0.122 0.000 1.096 147 F CA 1.345 59.427 58.000 0.136 0.000 1.255 147 F CB -0.445 38.612 39.000 0.094 0.000 0.997 147 F HN 0.236 nan 8.300 nan 0.000 0.479 148 A N 0.622 123.665 122.820 0.371 0.000 1.898 148 A HA -0.115 4.205 4.320 0.001 0.000 0.216 148 A C 2.315 179.939 177.584 0.066 0.000 1.181 148 A CA 1.377 53.545 52.037 0.218 0.000 0.620 148 A CB -0.658 18.471 19.000 0.214 0.000 0.819 148 A HN 0.452 nan 8.150 nan 0.000 0.442 149 R N -0.645 119.888 120.500 0.056 0.000 2.189 149 R HA 0.015 4.356 4.340 0.001 0.000 0.223 149 R C 1.330 177.595 176.300 -0.058 0.000 1.092 149 R CA 0.887 56.988 56.100 0.002 0.000 0.989 149 R CB -0.135 30.167 30.300 0.003 0.000 0.876 149 R HN 0.387 nan 8.270 nan 0.000 0.457 150 R N 0.502 120.948 120.500 -0.089 0.000 2.391 150 R HA 0.094 4.435 4.340 0.001 0.000 0.249 150 R C 0.156 176.364 176.300 -0.154 0.000 0.957 150 R CA 0.089 56.057 56.100 -0.220 0.000 1.093 150 R CB 0.358 30.428 30.300 -0.384 0.000 1.156 150 R HN 0.139 nan 8.270 nan 0.000 0.526 160 R N 0.948 121.435 120.500 -0.023 0.000 3.378 160 R HA 0.625 4.965 4.340 0.001 0.000 0.224 160 R C -1.020 175.289 176.300 0.015 0.000 1.689 160 R CA -0.704 55.394 56.100 -0.004 0.000 0.985 160 R CB -0.236 30.070 30.300 0.010 0.000 1.957 160 R HN 0.543 nan 8.270 nan 0.000 0.541 161 N N 0.665 119.392 118.700 0.045 0.000 2.762 161 N HA 0.274 5.014 4.740 0.001 0.000 0.252 161 N C -1.340 174.241 175.510 0.117 0.000 1.269 161 N CA -0.305 52.785 53.050 0.067 0.000 0.799 161 N CB 0.217 38.737 38.487 0.055 0.000 1.173 161 N HN 0.468 nan 8.380 nan 0.000 0.516 162 L N 1.702 123.008 121.223 0.139 0.000 2.319 162 L HA 0.466 4.806 4.340 0.001 0.000 0.280 162 L C 0.510 177.483 176.870 0.172 0.000 1.099 162 L CA -0.308 54.669 54.840 0.227 0.000 0.828 162 L CB 0.831 43.053 42.059 0.271 0.000 1.150 162 L HN 0.513 nan 8.230 nan 0.000 0.442 163 S N 2.449 118.220 115.700 0.117 0.000 2.596 163 S HA 0.775 5.246 4.470 0.001 0.000 0.270 163 S C -1.102 173.367 174.600 -0.217 0.000 1.155 163 S CA -0.805 57.372 58.200 -0.040 0.000 0.827 163 S CB 2.171 65.343 63.200 -0.048 0.000 1.130 163 S HN 0.168 nan 8.310 nan 0.000 0.467 164 V N 1.327 121.092 119.914 -0.248 0.000 2.656 164 V HA 0.716 4.836 4.120 0.001 0.000 0.307 164 V C -0.943 175.032 176.094 -0.198 0.000 1.051 164 V CA -0.636 61.476 62.300 -0.313 0.000 0.893 164 V CB 1.778 33.394 31.823 -0.344 0.000 0.999 164 V HN 0.854 nan 8.190 nan 0.000 0.426 165 V N 4.309 124.112 119.914 -0.184 0.000 2.409 165 V HA 0.465 4.585 4.120 0.001 0.000 0.290 165 V C -0.411 175.610 176.094 -0.122 0.000 1.017 165 V CA -0.801 61.419 62.300 -0.133 0.000 0.841 165 V CB 1.788 33.541 31.823 -0.117 0.000 1.003 165 V HN 0.854 nan 8.190 nan 0.000 0.426 166 N N 4.393 123.028 118.700 -0.109 0.000 2.479 166 N HA 0.409 5.150 4.740 0.001 0.000 0.285 166 N C -0.799 174.659 175.510 -0.087 0.000 1.075 166 N CA -0.560 52.428 53.050 -0.102 0.000 0.967 166 N CB 2.069 40.492 38.487 -0.107 0.000 1.137 166 N HN 0.378 nan 8.380 nan 0.000 0.472 167 L N 2.470 123.646 121.223 -0.080 0.000 2.268 167 L HA 0.273 4.614 4.340 0.001 0.000 0.289 167 L C 0.579 177.400 176.870 -0.081 0.000 1.064 167 L CA -0.164 54.636 54.840 -0.067 0.000 0.824 167 L CB -0.128 41.902 42.059 -0.049 0.000 1.202 167 L HN 0.531 nan 8.230 nan 0.000 0.433 168 C N 2.377 121.625 119.300 -0.087 0.000 2.536 168 C HA 0.502 4.963 4.460 0.001 0.000 0.385 168 C C 0.466 175.398 174.990 -0.096 0.000 2.253 168 C CA -0.489 58.461 59.018 -0.113 0.000 1.823 168 C CB 1.731 29.397 27.740 -0.124 0.000 2.000 168 C HN 0.740 nan 8.230 nan 0.000 0.444 169 D N -0.989 119.343 120.400 -0.114 0.000 2.602 169 D HA 0.412 5.052 4.640 0.001 0.000 0.245 169 D C 0.318 176.568 176.300 -0.083 0.000 1.325 169 D CA -0.184 53.770 54.000 -0.077 0.000 0.952 169 D CB 1.578 42.356 40.800 -0.037 0.000 1.317 169 D HN 0.551 nan 8.370 nan 0.000 0.577 170 A N 4.120 126.902 122.820 -0.063 0.000 2.024 170 A HA -0.141 4.180 4.320 0.001 0.000 0.220 170 A C 1.705 179.263 177.584 -0.044 0.000 1.164 170 A CA 1.066 53.069 52.037 -0.056 0.000 0.643 170 A CB -0.221 18.753 19.000 -0.042 0.000 0.806 170 A HN 0.598 nan 8.150 nan 0.000 0.451 171 M N 0.412 119.995 119.600 -0.028 0.000 2.561 171 M HA -0.005 4.475 4.480 0.001 0.000 0.238 171 M C 1.789 178.102 176.300 0.022 0.000 1.131 171 M CA 1.385 56.681 55.300 -0.006 0.000 1.046 171 M CB -1.429 31.168 32.600 -0.006 0.000 1.532 171 M HN 0.625 nan 8.290 nan 0.000 0.497 172 T N -2.621 111.937 114.554 0.007 0.000 3.077 172 T HA -0.097 4.253 4.350 0.001 0.000 0.269 172 T C 1.157 175.946 174.700 0.148 0.000 1.146 172 T CA 0.970 63.107 62.100 0.063 0.000 1.091 172 T CB -0.166 68.662 68.868 -0.067 0.000 0.892 172 T HN 0.215 nan 8.240 nan 0.000 0.533 173 D N 1.161 121.598 120.400 0.062 0.000 2.249 173 D HA 0.124 4.765 4.640 0.001 0.000 0.205 173 D C 0.708 177.053 176.300 0.076 0.000 0.962 173 D CA 0.567 54.617 54.000 0.084 0.000 0.860 173 D CB 0.124 40.940 40.800 0.027 0.000 0.955 173 D HN 0.438 nan 8.370 nan 0.000 0.505 174 L N 2.251 123.508 121.223 0.056 0.000 2.603 174 L HA 0.304 4.644 4.340 0.001 0.000 0.242 174 L C -2.362 174.544 176.870 0.060 0.000 1.169 174 L CA -1.687 53.179 54.840 0.043 0.000 1.029 174 L CB 0.895 42.965 42.059 0.019 0.000 1.361 174 L HN -0.356 nan 8.230 nan 0.000 0.439 175 P HA -0.137 nan 4.420 nan 0.000 0.257 175 P C -0.193 177.168 177.300 0.102 0.000 1.162 175 P CA -0.039 63.129 63.100 0.112 0.000 0.762 175 P CB 0.291 32.051 31.700 0.099 0.000 0.753 176 L N 7.936 129.221 121.223 0.103 0.000 2.477 176 L HA 0.243 4.584 4.340 0.001 0.000 0.272 176 L C -2.074 174.918 176.870 0.203 0.000 1.157 176 L CA -1.830 53.045 54.840 0.058 0.000 0.889 176 L CB -0.430 41.527 42.059 -0.171 0.000 1.158 176 L HN 0.290 nan 8.230 nan 0.000 0.473 177 P HA 0.144 nan 4.420 nan 0.000 0.258 177 P C 0.570 178.050 177.300 0.301 0.000 1.172 177 P CA 1.170 64.385 63.100 0.193 0.000 0.762 177 P CB 0.355 32.131 31.700 0.126 0.000 0.764 178 G N 2.063 110.997 108.800 0.223 0.000 2.157 178 G HA2 -0.270 3.690 3.960 0.001 0.000 0.248 178 G HA3 -0.270 3.690 3.960 0.001 0.000 0.248 178 G C 0.174 175.075 174.900 0.002 0.000 0.979 178 G CA -0.520 44.646 45.100 0.111 0.000 0.650 178 G HN 0.439 nan 8.290 nan 0.000 0.529 179 F N 0.028 120.021 119.950 0.071 0.000 2.881 179 F HA 0.390 4.917 4.527 0.000 0.000 0.343 179 F C 2.010 177.901 175.800 0.153 0.000 1.233 179 F CA -0.359 57.700 58.000 0.098 0.000 1.262 179 F CB -0.399 38.677 39.000 0.127 0.000 0.980 179 F HN 0.223 nan 8.300 nan 0.000 0.506 180 C N -0.147 119.286 119.300 0.221 0.000 2.385 180 C HA -0.189 4.272 4.460 0.001 0.000 0.275 180 C C 2.653 177.749 174.990 0.177 0.000 1.207 180 C CA 1.926 61.044 59.018 0.167 0.000 1.760 180 C CB -0.722 27.082 27.740 0.107 0.000 2.051 180 C HN 0.408 nan 8.230 nan 0.000 0.467 181 V N -0.210 119.818 119.914 0.189 0.000 2.358 181 V HA -0.194 3.926 4.120 0.001 0.000 0.246 181 V C 2.078 178.268 176.094 0.160 0.000 1.047 181 V CA 2.353 64.803 62.300 0.250 0.000 1.035 181 V CB -1.243 30.728 31.823 0.246 0.000 0.658 181 V HN 0.714 nan 8.190 nan 0.000 0.452 182 Y N 1.713 122.044 120.300 0.051 0.000 2.128 182 Y HA -0.282 4.269 4.550 0.001 0.000 0.284 182 Y C 2.633 178.552 175.900 0.030 0.000 1.154 182 Y CA 2.369 60.488 58.100 0.032 0.000 1.149 182 Y CB -0.767 37.817 38.460 0.207 0.000 0.976 182 Y HN 0.214 nan 8.280 nan 0.000 0.505 183 T N 1.302 115.902 114.554 0.076 0.000 2.684 183 T HA -0.250 4.100 4.350 0.001 0.000 0.267 183 T C 1.934 176.618 174.700 -0.027 0.000 1.036 183 T CA 2.156 64.260 62.100 0.006 0.000 1.148 183 T CB -0.368 68.593 68.868 0.155 0.000 0.863 183 T HN 0.388 nan 8.240 nan 0.000 0.436 184 M N 0.893 120.463 119.600 -0.051 0.000 2.108 184 M HA -0.100 4.381 4.480 0.001 0.000 0.261 184 M C 2.814 178.950 176.300 -0.274 0.000 1.066 184 M CA 1.687 56.955 55.300 -0.054 0.000 1.107 184 M CB -0.513 32.208 32.600 0.200 0.000 1.356 184 M HN 0.317 nan 8.290 nan 0.000 0.406 185 A N 0.300 122.719 122.820 -0.668 0.000 1.877 185 A HA -0.155 4.165 4.320 0.001 0.000 0.216 185 A C 2.172 179.452 177.584 -0.507 0.000 1.186 185 A CA 1.505 52.973 52.037 -0.948 0.000 0.620 185 A CB -0.436 18.005 19.000 -0.932 0.000 0.822 185 A HN 0.272 nan 8.150 nan 0.000 0.443 186 K N -0.463 119.653 120.400 -0.474 0.000 2.148 186 K HA -0.102 4.219 4.320 0.001 0.000 0.204 186 K C 1.806 178.251 176.600 -0.259 0.000 1.050 186 K CA 1.256 57.305 56.287 -0.396 0.000 0.942 186 K CB -0.585 31.593 32.500 -0.536 0.000 0.724 186 K HN 0.717 nan 8.250 nan 0.000 0.446 187 H N 0.144 119.070 119.070 -0.241 0.000 2.357 187 H HA -0.020 4.537 4.556 0.001 0.000 0.301 187 H C 1.946 177.197 175.328 -0.129 0.000 1.082 187 H CA 1.248 57.209 56.048 -0.146 0.000 1.342 187 H CB 0.228 29.932 29.762 -0.097 0.000 1.389 187 H HN 0.188 nan 8.280 nan 0.000 0.511 188 A N 1.246 124.044 122.820 -0.035 0.000 1.908 188 A HA -0.155 4.165 4.320 0.001 0.000 0.218 188 A C 2.428 179.958 177.584 -0.091 0.000 1.181 188 A CA 1.244 53.252 52.037 -0.050 0.000 0.627 188 A CB -0.704 18.254 19.000 -0.069 0.000 0.818 188 A HN 0.293 nan 8.150 nan 0.000 0.445 189 L N 0.057 121.193 121.223 -0.146 0.000 2.083 189 L HA -0.002 4.338 4.340 0.001 0.000 0.209 189 L C 2.328 179.124 176.870 -0.124 0.000 1.083 189 L CA 2.159 56.913 54.840 -0.143 0.000 0.752 189 L CB -0.943 41.011 42.059 -0.175 0.000 0.899 189 L HN 0.291 nan 8.230 nan 0.000 0.433 190 G N -1.094 107.625 108.800 -0.135 0.000 2.402 190 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 190 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 190 G C 1.529 176.380 174.900 -0.082 0.000 1.162 190 G CA 0.490 45.516 45.100 -0.123 0.000 0.777 190 G HN 0.566 nan 8.290 nan 0.000 0.539 191 G N 0.761 109.525 108.800 -0.060 0.000 2.442 191 G HA2 -0.145 3.816 3.960 0.001 0.000 0.219 191 G HA3 -0.145 3.816 3.960 0.001 0.000 0.219 191 G C 1.736 176.611 174.900 -0.041 0.000 1.141 191 G CA 1.092 46.171 45.100 -0.035 0.000 0.763 191 G HN 0.426 nan 8.290 nan 0.000 0.554 192 L N 0.913 122.103 121.223 -0.054 0.000 2.093 192 L HA 0.058 4.398 4.340 0.001 0.000 0.208 192 L C 2.815 179.650 176.870 -0.059 0.000 1.085 192 L CA 2.459 57.265 54.840 -0.055 0.000 0.755 192 L CB -1.005 41.011 42.059 -0.071 0.000 0.904 192 L HN 0.149 nan 8.230 nan 0.000 0.435 193 T N -0.089 114.423 114.554 -0.071 0.000 2.720 193 T HA -0.191 4.159 4.350 0.001 0.000 0.268 193 T C 1.990 176.655 174.700 -0.059 0.000 1.037 193 T CA 1.896 63.953 62.100 -0.072 0.000 1.144 193 T CB -0.193 68.628 68.868 -0.079 0.000 0.864 193 T HN 0.402 nan 8.240 nan 0.000 0.444 194 R N 0.675 121.144 120.500 -0.051 0.000 2.080 194 R HA 0.239 4.580 4.340 0.001 0.000 0.222 194 R C 2.901 179.180 176.300 -0.036 0.000 1.107 194 R CA 0.964 57.038 56.100 -0.042 0.000 0.980 194 R CB -0.410 29.868 30.300 -0.037 0.000 0.879 194 R HN 0.335 nan 8.270 nan 0.000 0.439 195 A N 1.561 124.362 122.820 -0.031 0.000 1.902 195 A HA -0.106 4.215 4.320 0.001 0.000 0.217 195 A C 2.356 179.926 177.584 -0.023 0.000 1.181 195 A CA 1.762 53.786 52.037 -0.022 0.000 0.623 195 A CB -0.557 18.433 19.000 -0.016 0.000 0.818 195 A HN 0.378 nan 8.150 nan 0.000 0.443 196 A N -0.304 122.499 122.820 -0.028 0.000 1.929 196 A HA 0.253 4.573 4.320 0.001 0.000 0.216 196 A C 2.475 180.041 177.584 -0.030 0.000 1.176 196 A CA 1.781 53.804 52.037 -0.024 0.000 0.628 196 A CB -0.929 18.052 19.000 -0.031 0.000 0.816 196 A HN 0.996 nan 8.150 nan 0.000 0.444 197 A N -0.228 122.567 122.820 -0.042 0.000 1.865 197 A HA -0.094 4.226 4.320 0.001 0.000 0.217 197 A C 2.155 179.708 177.584 -0.051 0.000 1.191 197 A CA 1.855 53.861 52.037 -0.051 0.000 0.623 197 A CB -0.687 18.279 19.000 -0.057 0.000 0.826 197 A HN 0.671 nan 8.150 nan 0.000 0.444 198 L N -0.259 120.937 121.223 -0.044 0.000 2.027 198 L HA -0.088 4.252 4.340 0.001 0.000 0.206 198 L C 2.284 179.130 176.870 -0.039 0.000 1.074 198 L CA 2.609 57.423 54.840 -0.044 0.000 0.745 198 L CB -0.601 41.437 42.059 -0.034 0.000 0.898 198 L HN 0.580 nan 8.230 nan 0.000 0.433 199 E N -1.146 119.037 120.200 -0.027 0.000 2.204 199 E HA -0.184 4.166 4.350 0.001 0.000 0.194 199 E C 1.694 178.282 176.600 -0.020 0.000 0.989 199 E CA 0.707 57.095 56.400 -0.019 0.000 0.824 199 E CB 0.079 29.774 29.700 -0.007 0.000 0.756 199 E HN 0.340 nan 8.360 nan 0.000 0.477 200 L N -0.222 120.989 121.223 -0.020 0.000 2.567 200 L HA 0.214 4.555 4.340 0.001 0.000 0.225 200 L C 1.882 178.724 176.870 -0.047 0.000 1.119 200 L CA 0.663 55.497 54.840 -0.011 0.000 0.871 200 L CB -0.256 41.816 42.059 0.021 0.000 1.036 200 L HN 0.077 nan 8.230 nan 0.000 0.459 201 A N 0.826 123.601 122.820 -0.075 0.000 1.917 201 A HA -0.124 4.197 4.320 0.001 0.000 0.219 201 A C -0.132 177.320 177.584 -0.220 0.000 1.182 201 A CA 1.683 53.646 52.037 -0.124 0.000 0.633 201 A CB -1.662 17.270 19.000 -0.114 0.000 0.819 201 A HN 0.330 nan 8.150 nan 0.000 0.448 202 P HA -0.078 nan 4.420 nan 0.000 0.225 202 P C 0.911 178.027 177.300 -0.307 0.000 1.148 202 P CA 0.729 63.690 63.100 -0.233 0.000 0.779 202 P CB 0.096 31.730 31.700 -0.111 0.000 0.780 203 R N -1.935 118.449 120.500 -0.193 0.000 2.393 203 R HA 0.152 4.493 4.340 0.001 0.000 0.244 203 R C -0.025 176.302 176.300 0.044 0.000 0.920 203 R CA -0.150 55.924 56.100 -0.043 0.000 1.076 203 R CB -1.141 29.178 30.300 0.032 0.000 1.119 203 R HN 0.336 nan 8.270 nan 0.000 0.524 204 H N -0.370 118.715 119.070 0.024 0.000 2.820 204 H HA -0.144 4.413 4.556 0.001 0.000 0.295 204 H C -0.390 174.965 175.328 0.044 0.000 1.187 204 H CA 0.692 56.754 56.048 0.023 0.000 1.144 204 H CB -1.885 27.892 29.762 0.025 0.000 1.354 204 H HN 0.194 nan 8.280 nan 0.000 0.395 205 I N 1.369 122.003 120.570 0.108 0.000 2.328 205 I HA 0.228 4.398 4.170 0.001 0.000 0.287 205 I C 0.523 176.666 176.117 0.042 0.000 1.012 205 I CA -0.409 60.967 61.300 0.128 0.000 1.195 205 I CB 1.040 39.157 38.000 0.195 0.000 1.350 205 I HN 0.120 nan 8.210 nan 0.000 0.464 206 R N 5.034 125.545 120.500 0.019 0.000 2.410 206 R HA 0.596 4.937 4.340 0.001 0.000 0.288 206 R C -0.970 175.292 176.300 -0.063 0.000 1.051 206 R CA -0.611 55.469 56.100 -0.034 0.000 1.021 206 R CB 1.621 31.896 30.300 -0.043 0.000 1.032 206 R HN 0.324 nan 8.270 nan 0.000 0.481 207 V N 3.831 123.701 119.914 -0.073 0.000 2.443 207 V HA 0.346 4.467 4.120 0.001 0.000 0.293 207 V C -0.420 175.625 176.094 -0.082 0.000 1.021 207 V CA -0.853 61.392 62.300 -0.091 0.000 0.848 207 V CB 1.344 33.117 31.823 -0.083 0.000 0.998 207 V HN 0.797 nan 8.190 nan 0.000 0.424 208 N N 2.227 120.874 118.700 -0.088 0.000 3.038 208 N HA 0.921 5.661 4.740 0.001 0.000 0.307 208 N C -0.737 174.729 175.510 -0.074 0.000 1.441 208 N CA -0.470 52.538 53.050 -0.070 0.000 0.772 208 N CB 2.585 41.037 38.487 -0.059 0.000 1.651 208 N HN 0.773 nan 8.380 nan 0.000 0.593 209 A N -0.047 122.739 122.820 -0.057 0.000 2.594 209 A HA 0.649 4.969 4.320 0.001 0.000 0.295 209 A C -1.413 176.147 177.584 -0.040 0.000 1.071 209 A CA -0.489 51.511 52.037 -0.061 0.000 0.685 209 A CB 1.154 20.109 19.000 -0.075 0.000 1.285 209 A HN 0.252 nan 8.150 nan 0.000 0.405 210 V N 0.535 120.424 119.914 -0.042 0.000 2.555 210 V HA 0.760 4.880 4.120 0.001 0.000 0.302 210 V C 0.267 176.336 176.094 -0.043 0.000 1.038 210 V CA -0.002 62.282 62.300 -0.027 0.000 0.887 210 V CB 1.719 33.532 31.823 -0.016 0.000 0.991 210 V HN 1.532 nan 8.190 nan 0.000 0.434 211 A N 6.605 129.401 122.820 -0.041 0.000 2.483 211 A HA 0.818 5.138 4.320 0.001 0.000 0.308 211 A C -2.866 174.693 177.584 -0.043 0.000 1.291 211 A CA -1.593 50.413 52.037 -0.053 0.000 0.774 211 A CB 0.844 19.806 19.000 -0.064 0.000 1.134 211 A HN 0.603 nan 8.150 nan 0.000 0.471 212 P HA 0.335 nan 4.420 nan 0.000 0.274 212 P C 0.952 178.228 177.300 -0.040 0.000 1.237 212 P CA 0.175 63.253 63.100 -0.037 0.000 0.793 212 P CB 1.419 33.095 31.700 -0.039 0.000 0.977 213 G N 0.925 109.706 108.800 -0.031 0.000 2.600 213 G HA2 0.213 4.174 3.960 0.001 0.000 0.225 213 G HA3 0.213 4.174 3.960 0.001 0.000 0.225 213 G C -0.666 174.219 174.900 -0.025 0.000 1.623 213 G CA 0.284 45.367 45.100 -0.028 0.000 0.903 213 G HN 0.461 nan 8.290 nan 0.000 0.574 214 L N 1.187 122.405 121.223 -0.009 0.000 2.294 214 L HA 0.728 5.068 4.340 0.001 0.000 0.283 214 L C 0.020 176.887 176.870 -0.005 0.000 1.015 214 L CA -0.271 54.574 54.840 0.008 0.000 0.831 214 L CB 1.584 43.671 42.059 0.046 0.000 1.217 214 L HN 0.293 nan 8.230 nan 0.000 0.420 215 S N 3.779 119.465 115.700 -0.023 0.000 2.993 215 S HA 0.601 5.071 4.470 0.001 0.000 0.281 215 S C -0.432 174.150 174.600 -0.031 0.000 1.033 215 S CA -0.850 57.336 58.200 -0.025 0.000 0.950 215 S CB 0.401 63.582 63.200 -0.031 0.000 1.349 215 S HN 0.568 nan 8.310 nan 0.000 0.652 216 L N 2.721 123.925 121.223 -0.032 0.000 2.848 216 L HA -0.057 4.284 4.340 0.001 0.000 0.286 216 L C -0.203 176.638 176.870 -0.048 0.000 1.150 216 L CA 0.250 55.069 54.840 -0.035 0.000 0.958 216 L CB -0.956 41.086 42.059 -0.029 0.000 1.322 216 L HN 0.471 nan 8.230 nan 0.000 0.469 217 L N 5.580 126.769 121.223 -0.058 0.000 2.453 217 L HA 0.296 4.636 4.340 0.001 0.000 0.261 217 L C -1.736 175.093 176.870 -0.068 0.000 1.179 217 L CA -1.855 52.930 54.840 -0.091 0.000 0.813 217 L CB 0.165 42.148 42.059 -0.126 0.000 1.110 217 L HN 0.397 nan 8.230 nan 0.000 0.466 218 P HA 0.018 nan 4.420 nan 0.000 0.266 218 P C -1.950 175.329 177.300 -0.036 0.000 1.195 218 P CA -0.863 62.219 63.100 -0.030 0.000 0.768 218 P CB 0.117 31.805 31.700 -0.020 0.000 0.838 219 P HA -0.161 nan 4.420 nan 0.000 0.220 219 P C 0.854 178.143 177.300 -0.020 0.000 1.148 219 P CA 1.287 64.375 63.100 -0.020 0.000 0.803 219 P CB -0.012 31.682 31.700 -0.011 0.000 0.782 220 A N 0.080 122.891 122.820 -0.015 0.000 1.970 220 A HA 0.036 4.356 4.320 0.001 0.000 0.216 220 A C 1.564 179.134 177.584 -0.023 0.000 1.170 220 A CA 0.016 52.045 52.037 -0.014 0.000 0.645 220 A CB -1.057 17.939 19.000 -0.006 0.000 0.816 220 A HN 0.216 nan 8.150 nan 0.000 0.447 221 M N 1.497 121.074 119.600 -0.038 0.000 2.286 221 M HA 0.056 4.536 4.480 0.001 0.000 0.365 221 M C -2.449 173.825 176.300 -0.044 0.000 1.443 221 M CA -1.107 54.159 55.300 -0.057 0.000 0.951 221 M CB 0.193 32.722 32.600 -0.118 0.000 1.961 221 M HN -0.033 nan 8.290 nan 0.000 0.468 222 P HA -0.014 nan 4.420 nan 0.000 0.265 222 P C -0.277 177.015 177.300 -0.013 0.000 1.193 222 P CA 0.148 63.240 63.100 -0.013 0.000 0.765 222 P CB 0.496 32.196 31.700 -0.000 0.000 0.823 223 Q N 1.628 121.422 119.800 -0.009 0.000 2.248 223 Q HA -0.250 4.091 4.340 0.001 0.000 0.208 223 Q C 1.483 177.489 176.000 0.010 0.000 0.984 223 Q CA 1.575 57.375 55.803 -0.004 0.000 0.875 223 Q CB -0.122 28.615 28.738 -0.002 0.000 0.910 223 Q HN 0.620 nan 8.270 nan 0.000 0.433 224 E N -0.238 119.971 120.200 0.015 0.000 2.051 224 E HA -0.141 4.210 4.350 0.001 0.000 0.192 224 E C 2.000 178.631 176.600 0.051 0.000 0.991 224 E CA 1.546 57.963 56.400 0.029 0.000 0.799 224 E CB 0.029 29.746 29.700 0.027 0.000 0.748 224 E HN 0.303 nan 8.360 nan 0.000 0.449 225 T N 1.203 115.787 114.554 0.051 0.000 2.777 225 T HA -0.146 4.205 4.350 0.001 0.000 0.266 225 T C 1.852 176.617 174.700 0.108 0.000 1.040 225 T CA 0.978 63.137 62.100 0.098 0.000 1.141 225 T CB -0.134 68.768 68.868 0.056 0.000 0.868 225 T HN 0.174 nan 8.240 nan 0.000 0.444 226 Q N 0.527 120.328 119.800 0.001 0.000 2.096 226 Q HA -0.169 4.172 4.340 0.001 0.000 0.204 226 Q C 2.386 178.432 176.000 0.076 0.000 0.982 226 Q CA 1.402 57.189 55.803 -0.025 0.000 0.850 226 Q CB -0.173 28.538 28.738 -0.045 0.000 0.901 226 Q HN 0.394 nan 8.270 nan 0.000 0.422 227 E N 0.998 121.237 120.200 0.066 0.000 2.150 227 E HA -0.168 4.183 4.350 0.001 0.000 0.193 227 E C 1.438 178.093 176.600 0.091 0.000 0.985 227 E CA 1.056 57.495 56.400 0.065 0.000 0.814 227 E CB 0.145 29.869 29.700 0.041 0.000 0.752 227 E HN 0.335 nan 8.360 nan 0.000 0.466 228 E N -1.236 119.042 120.200 0.130 0.000 2.152 228 E HA -0.166 4.184 4.350 0.001 0.000 0.192 228 E C 1.516 178.185 176.600 0.115 0.000 0.983 228 E CA 0.716 57.183 56.400 0.112 0.000 0.818 228 E CB -0.096 29.675 29.700 0.119 0.000 0.758 228 E HN 0.371 nan 8.360 nan 0.000 0.467 229 Y N 1.021 121.320 120.300 -0.001 0.000 2.206 229 Y HA -0.057 4.494 4.550 0.001 0.000 0.292 229 Y C 2.385 178.279 175.900 -0.009 0.000 1.123 229 Y CA 0.924 59.021 58.100 -0.006 0.000 1.142 229 Y CB -0.129 38.327 38.460 -0.006 0.000 1.006 229 Y HN -0.110 nan 8.280 nan 0.000 0.518 230 R N 0.018 120.616 120.500 0.162 0.000 2.094 230 R HA -0.219 4.122 4.340 0.001 0.000 0.239 230 R C 2.187 178.514 176.300 0.044 0.000 1.137 230 R CA 1.831 57.979 56.100 0.080 0.000 0.943 230 R CB -0.508 29.825 30.300 0.056 0.000 0.850 230 R HN 0.290 nan 8.270 nan 0.000 0.433 231 R N 0.804 121.326 120.500 0.037 0.000 2.303 231 R HA -0.105 4.236 4.340 0.001 0.000 0.225 231 R C 1.857 178.157 176.300 -0.000 0.000 1.114 231 R CA 1.045 57.154 56.100 0.015 0.000 1.007 231 R CB 0.001 30.309 30.300 0.013 0.000 0.861 231 R HN 0.240 nan 8.270 nan 0.000 0.471 232 K N 0.033 120.429 120.400 -0.008 0.000 2.365 232 K HA 0.045 4.366 4.320 0.001 0.000 0.197 232 K C 0.156 176.745 176.600 -0.018 0.000 1.042 232 K CA 0.301 56.571 56.287 -0.028 0.000 0.987 232 K CB 0.486 32.947 32.500 -0.066 0.000 0.779 232 K HN -0.051 nan 8.250 nan 0.000 0.484 233 V N 3.465 123.376 119.914 -0.005 0.000 2.446 233 V HA 0.011 4.131 4.120 0.001 0.000 0.276 233 V C -1.670 174.420 176.094 -0.007 0.000 1.030 233 V CA -0.946 61.352 62.300 -0.004 0.000 1.033 233 V CB 0.868 32.693 31.823 0.003 0.000 0.993 233 V HN 0.050 nan 8.190 nan 0.000 0.477 234 P HA -0.099 nan 4.420 nan 0.000 0.216 234 P C 0.485 177.780 177.300 -0.009 0.000 1.150 234 P CA 0.635 63.729 63.100 -0.010 0.000 0.837 234 P CB 0.199 31.891 31.700 -0.012 0.000 0.786 235 L N -0.390 120.828 121.223 -0.009 0.000 2.358 235 L HA 0.493 4.833 4.340 0.001 0.000 0.274 235 L C 1.075 177.941 176.870 -0.006 0.000 1.136 235 L CA 0.311 55.145 54.840 -0.009 0.000 0.970 235 L CB -1.013 41.039 42.059 -0.011 0.000 1.314 235 L HN 0.285 nan 8.230 nan 0.000 0.427 236 G N 2.357 111.154 108.800 -0.005 0.000 2.195 236 G HA2 -0.326 3.635 3.960 0.001 0.000 0.246 236 G HA3 -0.326 3.635 3.960 0.001 0.000 0.246 236 G C 0.478 175.379 174.900 0.001 0.000 0.984 236 G CA 0.168 45.267 45.100 -0.003 0.000 0.633 236 G HN 0.615 nan 8.290 nan 0.000 0.525 237 Q N -1.090 118.711 119.800 0.001 0.000 2.457 237 Q HA -0.097 4.244 4.340 0.001 0.000 0.283 237 Q C 0.311 176.319 176.000 0.012 0.000 1.234 237 Q CA 1.722 57.529 55.803 0.006 0.000 0.877 237 Q CB -1.955 26.787 28.738 0.006 0.000 1.250 237 Q HN 1.594 nan 8.270 nan 0.000 0.481 238 S N -0.506 115.200 115.700 0.010 0.000 2.549 238 S HA 0.544 5.014 4.470 0.001 0.000 0.280 238 S C -0.591 174.016 174.600 0.012 0.000 1.109 238 S CA -0.774 57.433 58.200 0.012 0.000 0.905 238 S CB 1.201 64.404 63.200 0.005 0.000 1.081 238 S HN 0.279 nan 8.310 nan 0.000 0.477 239 E N 2.653 122.862 120.200 0.015 0.000 2.392 239 E HA 0.471 4.822 4.350 0.001 0.000 0.256 239 E C -0.036 176.565 176.600 0.000 0.000 1.145 239 E CA -0.517 55.890 56.400 0.011 0.000 0.929 239 E CB 0.647 30.353 29.700 0.011 0.000 0.998 239 E HN 0.638 nan 8.360 nan 0.000 0.442 240 A N 1.731 124.548 122.820 -0.004 0.000 2.366 240 A HA 0.328 4.649 4.320 0.001 0.000 0.272 240 A C 0.477 178.056 177.584 -0.009 0.000 1.135 240 A CA -0.080 51.952 52.037 -0.008 0.000 0.804 240 A CB 0.008 19.002 19.000 -0.011 0.000 1.064 240 A HN 0.708 nan 8.150 nan 0.000 0.499 241 S N 1.901 117.597 115.700 -0.007 0.000 2.600 241 S HA 0.436 4.906 4.470 0.001 0.000 0.265 241 S C 1.322 175.920 174.600 -0.004 0.000 1.325 241 S CA -0.111 58.085 58.200 -0.007 0.000 1.002 241 S CB 1.098 64.295 63.200 -0.004 0.000 0.921 241 S HN 1.589 nan 8.310 nan 0.000 0.554 242 A N 1.992 124.810 122.820 -0.003 0.000 1.940 242 A HA 0.101 4.421 4.320 0.001 0.000 0.219 242 A C 2.400 179.993 177.584 0.015 0.000 1.176 242 A CA 1.891 53.931 52.037 0.005 0.000 0.631 242 A CB -1.698 17.306 19.000 0.007 0.000 0.814 242 A HN 1.358 nan 8.150 nan 0.000 0.446 243 A N -0.602 122.228 122.820 0.015 0.000 1.877 243 A HA -0.244 4.076 4.320 0.001 0.000 0.216 243 A C 2.113 179.707 177.584 0.018 0.000 1.186 243 A CA 1.719 53.769 52.037 0.022 0.000 0.620 243 A CB -0.686 18.325 19.000 0.019 0.000 0.822 243 A HN 0.648 nan 8.150 nan 0.000 0.443 244 Q N -0.731 119.074 119.800 0.009 0.000 2.152 244 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 244 Q C 1.994 177.998 176.000 0.007 0.000 0.985 244 Q CA 1.420 57.226 55.803 0.005 0.000 0.863 244 Q CB -0.327 28.410 28.738 -0.002 0.000 0.904 244 Q HN 0.618 nan 8.270 nan 0.000 0.422 245 I N 0.463 121.036 120.570 0.005 0.000 2.252 245 I HA -0.179 3.991 4.170 0.001 0.000 0.245 245 I C 2.346 178.472 176.117 0.014 0.000 1.102 245 I CA 1.142 62.445 61.300 0.005 0.000 1.385 245 I CB -1.567 36.432 38.000 -0.002 0.000 1.064 245 I HN 0.112 nan 8.210 nan 0.000 0.414 246 A N 0.781 123.613 122.820 0.019 0.000 1.940 246 A HA -0.228 4.092 4.320 0.001 0.000 0.219 246 A C 1.977 179.584 177.584 0.038 0.000 1.176 246 A CA 1.947 53.999 52.037 0.026 0.000 0.631 246 A CB -0.620 18.400 19.000 0.034 0.000 0.814 246 A HN 0.349 nan 8.150 nan 0.000 0.446 247 D N 0.185 120.609 120.400 0.040 0.000 2.104 247 D HA -0.122 4.518 4.640 0.001 0.000 0.194 247 D C 2.253 178.605 176.300 0.088 0.000 0.994 247 D CA 1.692 55.725 54.000 0.055 0.000 0.830 247 D CB -0.505 40.314 40.800 0.031 0.000 0.959 247 D HN 0.441 nan 8.370 nan 0.000 0.452 248 A N 0.558 123.420 122.820 0.070 0.000 1.877 248 A HA -0.145 4.175 4.320 0.001 0.000 0.216 248 A C 2.416 180.079 177.584 0.131 0.000 1.186 248 A CA 1.028 53.130 52.037 0.109 0.000 0.620 248 A CB -0.765 18.269 19.000 0.058 0.000 0.822 248 A HN 0.195 nan 8.150 nan 0.000 0.443 249 I N -0.161 120.445 120.570 0.060 0.000 2.226 249 I HA -0.286 3.884 4.170 0.001 0.000 0.245 249 I C 2.969 179.095 176.117 0.015 0.000 1.100 249 I CA 1.093 62.403 61.300 0.015 0.000 1.374 249 I CB -0.298 37.689 38.000 -0.022 0.000 1.057 249 I HN 0.351 nan 8.210 nan 0.000 0.413 250 A N 0.591 123.440 122.820 0.048 0.000 1.908 250 A HA -0.283 4.037 4.320 0.001 0.000 0.218 250 A C 2.254 179.892 177.584 0.089 0.000 1.181 250 A CA 1.777 53.851 52.037 0.062 0.000 0.627 250 A CB -1.049 18.004 19.000 0.088 0.000 0.818 250 A HN 0.482 nan 8.150 nan 0.000 0.445 251 F N 0.597 120.554 119.950 0.011 0.000 2.102 251 F HA -0.129 4.398 4.527 0.000 0.000 0.298 251 F C 1.879 177.688 175.800 0.015 0.000 1.105 251 F CA 1.729 59.739 58.000 0.016 0.000 1.239 251 F CB -0.439 38.567 39.000 0.010 0.000 0.991 251 F HN 0.134 nan 8.300 nan 0.000 0.474 252 L N 0.239 121.344 121.223 -0.195 0.000 2.127 252 L HA -0.185 4.155 4.340 0.001 0.000 0.211 252 L C 2.432 179.164 176.870 -0.229 0.000 1.089 252 L CA 1.375 56.050 54.840 -0.275 0.000 0.757 252 L CB -0.809 41.204 42.059 -0.077 0.000 0.899 252 L HN 0.310 nan 8.230 nan 0.000 0.434 253 V N -3.934 115.893 119.914 -0.144 0.000 2.951 253 V HA 0.025 4.145 4.120 0.001 0.000 0.255 253 V C 1.568 177.642 176.094 -0.033 0.000 1.088 253 V CA 0.414 62.663 62.300 -0.084 0.000 1.109 253 V CB -0.660 31.107 31.823 -0.093 0.000 0.724 253 V HN 0.419 nan 8.190 nan 0.000 0.471 254 S N 0.293 115.943 115.700 -0.084 0.000 2.596 254 S HA 0.222 4.693 4.470 0.001 0.000 0.260 254 S C 0.929 175.474 174.600 -0.092 0.000 1.336 254 S CA 0.110 58.280 58.200 -0.050 0.000 0.993 254 S CB 1.002 64.179 63.200 -0.038 0.000 0.923 254 S HN 0.287 nan 8.310 nan 0.000 0.567 255 K N 0.351 120.727 120.400 -0.039 0.000 2.283 255 K HA 0.019 4.340 4.320 0.001 0.000 0.202 255 K C 1.053 177.628 176.600 -0.041 0.000 1.048 255 K CA 1.267 57.537 56.287 -0.028 0.000 0.948 255 K CB -0.591 31.905 32.500 -0.006 0.000 0.742 255 K HN 0.660 nan 8.250 nan 0.000 0.458 256 D N -0.803 119.563 120.400 -0.058 0.000 2.392 256 D HA -0.041 4.600 4.640 0.001 0.000 0.228 256 D C 0.256 176.469 176.300 -0.144 0.000 1.003 256 D CA 0.816 54.811 54.000 -0.008 0.000 0.917 256 D CB 0.262 41.159 40.800 0.161 0.000 0.890 256 D HN 0.230 nan 8.370 nan 0.000 0.532 257 A N -0.535 122.095 122.820 -0.317 0.000 2.616 257 A HA 0.480 4.801 4.320 0.001 0.000 0.294 257 A C 1.909 179.422 177.584 -0.119 0.000 1.091 257 A CA 0.064 51.897 52.037 -0.341 0.000 0.971 257 A CB 0.078 18.653 19.000 -0.709 0.000 1.222 257 A HN 0.152 nan 8.150 nan 0.000 0.521 258 G N -1.262 107.518 108.800 -0.034 0.000 2.501 258 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 258 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 258 G C 0.989 175.943 174.900 0.090 0.000 1.114 258 G CA 1.381 46.497 45.100 0.026 0.000 0.757 258 G HN 0.587 nan 8.290 nan 0.000 0.559 259 Y N 0.278 120.568 120.300 -0.017 0.000 2.467 259 Y HA 0.458 5.008 4.550 0.001 0.000 0.250 259 Y C 0.812 176.711 175.900 -0.002 0.000 1.155 259 Y CA -1.164 56.937 58.100 0.002 0.000 1.249 259 Y CB 0.407 38.875 38.460 0.013 0.000 1.146 259 Y HN -0.042 nan 8.280 nan 0.000 0.524 260 I N 1.084 121.664 120.570 0.015 0.000 2.325 260 I HA 0.261 4.432 4.170 0.001 0.000 0.291 260 I C 0.046 176.117 176.117 -0.076 0.000 1.019 260 I CA -0.003 61.285 61.300 -0.019 0.000 1.302 260 I CB 1.177 39.181 38.000 0.007 0.000 1.401 260 I HN -0.057 nan 8.210 nan 0.000 0.485 261 T N 3.557 118.058 114.554 -0.089 0.000 3.097 261 T HA 0.507 4.858 4.350 0.001 0.000 0.332 261 T C 0.292 174.949 174.700 -0.072 0.000 1.269 261 T CA 0.294 62.342 62.100 -0.088 0.000 1.076 261 T CB 1.358 70.159 68.868 -0.111 0.000 1.209 261 T HN 0.966 nan 8.240 nan 0.000 0.474 262 G N 2.517 111.280 108.800 -0.061 0.000 2.148 262 G HA2 -0.200 3.760 3.960 0.001 0.000 0.254 262 G HA3 -0.200 3.760 3.960 0.001 0.000 0.254 262 G C 0.285 175.161 174.900 -0.039 0.000 0.981 262 G CA 0.956 46.025 45.100 -0.052 0.000 0.670 262 G HN 1.463 nan 8.290 nan 0.000 0.528 263 T N -1.365 113.170 114.554 -0.031 0.000 2.895 263 T HA 0.683 5.033 4.350 0.001 0.000 0.283 263 T C -0.077 174.612 174.700 -0.018 0.000 1.014 263 T CA 0.419 62.511 62.100 -0.014 0.000 1.037 263 T CB 2.202 71.079 68.868 0.014 0.000 1.006 263 T HN 0.325 nan 8.240 nan 0.000 0.468 264 T N 4.326 118.869 114.554 -0.019 0.000 2.770 264 T HA 0.466 4.817 4.350 0.001 0.000 0.283 264 T C -0.708 173.986 174.700 -0.011 0.000 0.988 264 T CA -0.580 61.503 62.100 -0.028 0.000 0.957 264 T CB 0.826 69.663 68.868 -0.050 0.000 0.930 264 T HN 0.638 nan 8.240 nan 0.000 0.443 265 L N 4.562 125.786 121.223 0.001 0.000 2.255 265 L HA 0.480 4.820 4.340 0.001 0.000 0.289 265 L C 0.235 177.102 176.870 -0.006 0.000 1.046 265 L CA -0.449 54.400 54.840 0.014 0.000 0.816 265 L CB 0.370 42.462 42.059 0.054 0.000 1.197 265 L HN 0.469 nan 8.230 nan 0.000 0.427 266 K N 4.197 124.589 120.400 -0.015 0.000 2.298 266 K HA 0.467 4.788 4.320 0.001 0.000 0.280 266 K C -1.274 175.313 176.600 -0.021 0.000 1.032 266 K CA -0.406 55.867 56.287 -0.023 0.000 0.958 266 K CB 0.776 33.260 32.500 -0.026 0.000 0.978 266 K HN 0.534 nan 8.250 nan 0.000 0.472 267 V N 5.497 125.398 119.914 -0.023 0.000 2.465 267 V HA 0.093 4.214 4.120 0.001 0.000 0.263 267 V C -0.643 175.438 176.094 -0.022 0.000 0.981 267 V CA -0.611 61.676 62.300 -0.021 0.000 0.838 267 V CB 0.751 32.564 31.823 -0.017 0.000 1.068 267 V HN 0.993 nan 8.190 nan 0.000 0.458 268 D N 1.520 121.907 120.400 -0.022 0.000 2.556 268 D HA 0.164 4.804 4.640 0.001 0.000 0.237 268 D C 1.359 177.649 176.300 -0.016 0.000 1.296 268 D CA 0.357 54.345 54.000 -0.020 0.000 0.807 268 D CB 0.715 41.502 40.800 -0.022 0.000 1.084 268 D HN 0.653 nan 8.370 nan 0.000 0.510 269 G N 0.609 109.399 108.800 -0.017 0.000 2.258 269 G HA2 -0.112 3.848 3.960 0.001 0.000 0.274 269 G HA3 -0.112 3.848 3.960 0.001 0.000 0.274 269 G C 1.269 176.160 174.900 -0.015 0.000 1.021 269 G CA 0.762 45.853 45.100 -0.015 0.000 0.798 269 G HN 1.448 nan 8.290 nan 0.000 0.507 270 G N -1.892 106.898 108.800 -0.017 0.000 2.143 270 G HA2 -0.164 3.796 3.960 0.001 0.000 0.249 270 G HA3 -0.164 3.796 3.960 0.001 0.000 0.249 270 G C 1.156 176.046 174.900 -0.016 0.000 0.981 270 G CA 1.029 46.119 45.100 -0.016 0.000 0.665 270 G HN 1.584 nan 8.290 nan 0.000 0.528 271 L N 0.850 122.063 121.223 -0.017 0.000 2.012 271 L HA 0.171 4.511 4.340 0.001 0.000 0.210 271 L C 2.439 179.297 176.870 -0.021 0.000 1.073 271 L CA 2.594 57.423 54.840 -0.019 0.000 0.748 271 L CB -0.425 41.624 42.059 -0.018 0.000 0.891 271 L HN 0.472 nan 8.230 nan 0.000 0.431 272 I N -1.134 119.424 120.570 -0.020 0.000 2.850 272 I HA -0.231 3.939 4.170 0.001 0.000 0.266 272 I C 1.428 177.536 176.117 -0.015 0.000 1.257 272 I CA 0.517 61.806 61.300 -0.018 0.000 1.465 272 I CB 0.111 38.099 38.000 -0.019 0.000 1.091 272 I HN 0.284 nan 8.210 nan 0.000 0.467 273 L N 0.712 121.925 121.223 -0.015 0.000 2.446 273 L HA 0.257 4.597 4.340 0.001 0.000 0.219 273 L C 1.353 178.215 176.870 -0.013 0.000 1.116 273 L CA 0.431 55.263 54.840 -0.013 0.000 0.844 273 L CB -1.149 40.902 42.059 -0.013 0.000 0.970 273 L HN 0.111 nan 8.230 nan 0.000 0.457 274 A N 0.404 123.215 122.820 -0.016 0.000 2.371 274 A HA 0.476 4.797 4.320 0.001 0.000 0.257 274 A C 0.322 177.896 177.584 -0.017 0.000 1.089 274 A CA -0.379 51.648 52.037 -0.017 0.000 0.794 274 A CB 0.262 19.248 19.000 -0.022 0.000 1.029 274 A HN 0.190 nan 8.150 nan 0.000 0.488 275 R N 1.040 121.531 120.500 -0.015 0.000 2.536 275 R HA 0.611 4.951 4.340 0.001 0.000 0.279 275 R C 0.214 176.504 176.300 -0.017 0.000 1.001 275 R CA -0.145 55.947 56.100 -0.013 0.000 1.027 275 R CB 1.477 31.771 30.300 -0.010 0.000 1.096 275 R HN 0.781 nan 8.270 nan 0.000 0.502 276 A N 0.000 122.811 122.820 -0.016 0.000 2.254 276 A HA 0.000 4.320 4.320 0.001 0.000 0.244 276 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 276 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 276 A HN 0.000 nan 8.150 nan 0.000 0.486