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 3euc_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVVDPSLIER IIRDDVRAXG AYHVPDSHGL VKLDAXENPY RLPPALRSEL DATA SEQUENCE AARLGEVALN RYPVPSSEAL RAKLKEVXQV PAGXEVLLGN GSDEIISXLA DATA SEQUENCE LAAARPGAKV XAPVPGFVXY AXSAQFAGLE FVGVPLRADF TLDRGAXLAA DATA SEQUENCE XAEHQPAIVY LAYPNNPTGN LFDAADXEAI VRAAQGSVCR SLVVVDEAYQ DATA SEQUENCE PFAQESWXSR LTDFGNLLVX RTVSKLGLAG IRLGYVAGDP QWLEQLDKVR DATA SEQUENCE PPYNVNVLTE ATALFALEHV AVLDEQAAQL RAERSRVAEG XAAHGGVTVF DATA SEQUENCE PSAANFLLAR VPDAAQTFDR LLARKVLIKN VSKXHPLLAN CLRVTVSTPE DATA SEQUENCE ENAQFLEAFA ASLQD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.599 174.600 -0.002 0.000 1.055 2 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 3 V N 5.312 125.225 119.914 -0.003 0.000 3.376 3 V HA 0.426 4.546 4.120 -0.000 0.000 0.313 3 V C 0.089 176.181 176.094 -0.003 0.000 1.393 3 V CA 0.225 62.523 62.300 -0.002 0.000 1.125 3 V CB 0.311 32.133 31.823 -0.002 0.000 1.037 3 V HN 0.705 nan 8.190 nan 0.000 0.440 4 V N 1.807 121.719 119.914 -0.003 0.000 2.740 4 V HA 0.167 4.286 4.120 -0.000 0.000 0.303 4 V C 0.263 176.355 176.094 -0.004 0.000 1.054 4 V CA 0.106 62.404 62.300 -0.003 0.000 1.106 4 V CB 1.331 33.152 31.823 -0.004 0.000 0.957 4 V HN 0.504 nan 8.190 nan 0.000 0.486 5 D N 5.946 126.344 120.400 -0.004 0.000 2.443 5 D HA 0.333 4.973 4.640 -0.000 0.000 0.221 5 D C -1.687 174.610 176.300 -0.005 0.000 1.097 5 D CA -2.221 51.776 54.000 -0.004 0.000 0.865 5 D CB 1.903 42.700 40.800 -0.003 0.000 1.034 5 D HN 0.192 nan 8.370 nan 0.000 0.511 6 P HA -0.136 nan 4.420 nan 0.000 0.219 6 P C 1.322 178.618 177.300 -0.007 0.000 1.146 6 P CA 0.909 64.005 63.100 -0.006 0.000 0.808 6 P CB 0.169 31.865 31.700 -0.006 0.000 0.779 7 S N -1.043 114.654 115.700 -0.006 0.000 2.423 7 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 7 S C 1.825 176.422 174.600 -0.006 0.000 1.014 7 S CA 0.681 58.877 58.200 -0.006 0.000 0.965 7 S CB -1.393 61.804 63.200 -0.005 0.000 0.785 7 S HN 0.010 nan 8.310 nan 0.000 0.495 8 L N 1.678 122.897 121.223 -0.005 0.000 2.072 8 L HA 0.232 4.572 4.340 -0.000 0.000 0.205 8 L C 2.193 179.059 176.870 -0.007 0.000 1.079 8 L CA 1.351 56.188 54.840 -0.005 0.000 0.752 8 L CB -0.628 41.428 42.059 -0.004 0.000 0.906 8 L HN 0.336 nan 8.230 nan 0.000 0.436 9 I N -0.549 120.016 120.570 -0.008 0.000 2.208 9 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 9 I C 2.326 178.435 176.117 -0.013 0.000 1.097 9 I CA 1.486 62.780 61.300 -0.010 0.000 1.363 9 I CB -0.417 37.576 38.000 -0.011 0.000 1.051 9 I HN 0.357 nan 8.210 nan 0.000 0.413 10 E N 0.445 120.637 120.200 -0.012 0.000 2.077 10 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 10 E C 2.303 178.897 176.600 -0.011 0.000 0.989 10 E CA 1.069 57.461 56.400 -0.013 0.000 0.800 10 E CB -0.137 29.556 29.700 -0.011 0.000 0.746 10 E HN 0.350 nan 8.360 nan 0.000 0.452 11 R N 0.372 120.867 120.500 -0.008 0.000 2.090 11 R HA -0.088 4.252 4.340 -0.000 0.000 0.228 11 R C 1.992 178.289 176.300 -0.006 0.000 1.110 11 R CA 0.930 57.026 56.100 -0.006 0.000 0.973 11 R CB 0.152 30.450 30.300 -0.005 0.000 0.869 11 R HN 0.116 nan 8.270 nan 0.000 0.440 12 I N 0.888 121.453 120.570 -0.007 0.000 2.494 12 I HA 0.002 4.171 4.170 -0.000 0.000 0.250 12 I C 0.953 177.065 176.117 -0.010 0.000 1.112 12 I CA 0.410 61.706 61.300 -0.007 0.000 1.438 12 I CB -0.395 37.602 38.000 -0.006 0.000 1.111 12 I HN 0.021 nan 8.210 nan 0.000 0.431 13 I N 2.031 122.593 120.570 -0.014 0.000 2.474 13 I HA 0.108 4.278 4.170 -0.000 0.000 0.287 13 I C 0.976 177.080 176.117 -0.022 0.000 1.048 13 I CA -0.258 61.030 61.300 -0.021 0.000 1.383 13 I CB 0.121 38.104 38.000 -0.028 0.000 1.412 13 I HN 0.095 nan 8.210 nan 0.000 0.531 14 R N 3.919 124.405 120.500 -0.023 0.000 2.640 14 R HA -0.058 4.282 4.340 -0.000 0.000 0.270 14 R C 0.695 176.975 176.300 -0.032 0.000 1.024 14 R CA -0.285 55.802 56.100 -0.021 0.000 1.085 14 R CB 0.561 30.853 30.300 -0.013 0.000 0.963 14 R HN 0.498 nan 8.270 nan 0.000 0.426 15 D N 2.060 122.445 120.400 -0.025 0.000 2.123 15 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 15 D C 1.383 177.658 176.300 -0.043 0.000 0.992 15 D CA 1.705 55.688 54.000 -0.030 0.000 0.833 15 D CB -0.141 40.647 40.800 -0.021 0.000 0.954 15 D HN 0.641 nan 8.370 nan 0.000 0.455 16 D N 0.582 120.959 120.400 -0.039 0.000 2.219 16 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 16 D C 2.042 178.275 176.300 -0.113 0.000 0.970 16 D CA 0.444 54.412 54.000 -0.053 0.000 0.851 16 D CB -0.543 40.247 40.800 -0.017 0.000 0.943 16 D HN 0.131 nan 8.370 nan 0.000 0.488 17 V N 0.850 120.690 119.914 -0.124 0.000 2.323 17 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 17 V C 2.737 178.740 176.094 -0.151 0.000 1.041 17 V CA 1.512 63.694 62.300 -0.198 0.000 1.025 17 V CB -0.477 31.247 31.823 -0.165 0.000 0.656 17 V HN 0.143 nan 8.190 nan 0.000 0.451 18 R N 0.406 120.848 120.500 -0.096 0.000 2.115 18 R HA 0.050 4.390 4.340 -0.000 0.000 0.230 18 R C 1.377 177.633 176.300 -0.074 0.000 1.111 18 R CA 0.884 56.940 56.100 -0.074 0.000 0.976 18 R CB -0.444 29.826 30.300 -0.050 0.000 0.870 18 R HN 0.521 nan 8.270 nan 0.000 0.445 22 A N -0.421 122.398 122.820 -0.000 0.000 2.517 22 A HA 0.277 4.597 4.320 -0.000 0.000 0.284 22 A C 0.863 178.475 177.584 0.047 0.000 1.195 22 A CA 0.522 52.583 52.037 0.040 0.000 0.873 22 A CB -0.631 18.404 19.000 0.058 0.000 1.055 22 A HN 1.327 nan 8.150 nan 0.000 0.538 23 Y N 2.848 123.069 120.300 -0.131 0.000 2.274 23 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 23 Y C 0.759 176.389 175.900 -0.450 0.000 1.145 23 Y CA 1.631 59.561 58.100 -0.284 0.000 1.203 23 Y CB 0.077 38.341 38.460 -0.327 0.000 0.984 23 Y HN 0.722 nan 8.280 nan 0.000 0.533 24 H N -0.579 118.468 119.070 -0.038 0.000 2.658 24 H HA 0.462 5.018 4.556 -0.000 0.000 0.337 24 H C -0.928 174.386 175.328 -0.024 0.000 1.009 24 H CA -0.831 55.160 56.048 -0.095 0.000 1.231 24 H CB 1.528 31.236 29.762 -0.089 0.000 1.508 24 H HN -0.233 nan 8.280 nan 0.000 0.517 25 V N 4.873 124.831 119.914 0.074 0.000 2.532 25 V HA 0.219 4.339 4.120 -0.000 0.000 0.295 25 V C -1.887 174.233 176.094 0.044 0.000 1.041 25 V CA -1.829 60.507 62.300 0.060 0.000 0.926 25 V CB 1.657 33.515 31.823 0.059 0.000 0.992 25 V HN 0.620 nan 8.190 nan 0.000 0.457 26 P HA 0.105 nan 4.420 nan 0.000 0.265 26 P C -0.833 176.470 177.300 0.006 0.000 1.193 26 P CA -0.237 62.872 63.100 0.015 0.000 0.765 26 P CB 0.252 31.959 31.700 0.011 0.000 0.823 27 D N 1.319 121.718 120.400 -0.002 0.000 2.441 27 D HA 0.070 4.710 4.640 -0.000 0.000 0.243 27 D C 0.590 176.885 176.300 -0.008 0.000 1.257 27 D CA 0.408 54.404 54.000 -0.007 0.000 1.027 27 D CB -0.342 40.450 40.800 -0.012 0.000 1.084 27 D HN 0.248 nan 8.370 nan 0.000 0.514 28 S N -0.130 115.566 115.700 -0.008 0.000 2.669 28 S HA 0.468 4.938 4.470 -0.000 0.000 0.270 28 S C 0.638 175.232 174.600 -0.011 0.000 1.225 28 S CA -0.854 57.341 58.200 -0.008 0.000 0.991 28 S CB 0.294 63.489 63.200 -0.008 0.000 0.987 28 S HN 0.616 nan 8.310 nan 0.000 0.552 29 H N -1.213 117.851 119.070 -0.010 0.000 3.026 29 H HA 0.483 5.039 4.556 -0.000 0.000 0.289 29 H C 1.730 177.052 175.328 -0.011 0.000 1.022 29 H CA -0.252 55.789 56.048 -0.011 0.000 1.477 29 H CB -0.887 28.869 29.762 -0.010 0.000 1.510 29 H HN 2.118 nan 8.280 nan 0.000 0.535 30 G N 1.486 110.279 108.800 -0.011 0.000 2.159 30 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.256 30 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.256 30 G C 0.383 175.276 174.900 -0.011 0.000 0.977 30 G CA 0.306 45.400 45.100 -0.011 0.000 0.652 30 G HN 1.169 nan 8.290 nan 0.000 0.531 31 L N 1.724 122.939 121.223 -0.013 0.000 2.361 31 L HA 0.588 4.928 4.340 -0.000 0.000 0.278 31 L C 0.445 177.308 176.870 -0.012 0.000 1.113 31 L CA -0.378 54.453 54.840 -0.015 0.000 0.849 31 L CB 1.366 43.415 42.059 -0.017 0.000 1.155 31 L HN 0.078 nan 8.230 nan 0.000 0.452 32 V N 6.235 126.146 119.914 -0.006 0.000 2.333 32 V HA 0.321 4.441 4.120 -0.000 0.000 0.274 32 V C 0.198 176.290 176.094 -0.005 0.000 1.028 32 V CA -0.738 61.562 62.300 0.000 0.000 0.851 32 V CB 0.706 32.544 31.823 0.025 0.000 1.000 32 V HN 0.631 nan 8.190 nan 0.000 0.456 33 K N 5.985 126.374 120.400 -0.018 0.000 2.264 33 K HA 0.557 4.877 4.320 -0.000 0.000 0.277 33 K C -0.425 176.150 176.600 -0.041 0.000 1.067 33 K CA -0.311 55.960 56.287 -0.027 0.000 0.900 33 K CB 1.175 33.658 32.500 -0.028 0.000 1.124 33 K HN 0.574 nan 8.250 nan 0.000 0.469 34 L N 3.566 124.756 121.223 -0.054 0.000 3.186 34 L HA 0.125 4.465 4.340 -0.000 0.000 0.292 34 L C 0.362 177.179 176.870 -0.088 0.000 1.303 34 L CA -0.146 54.636 54.840 -0.096 0.000 0.940 34 L CB 0.168 42.117 42.059 -0.184 0.000 1.358 34 L HN 0.665 nan 8.230 nan 0.000 0.581 35 D N -0.893 119.469 120.400 -0.063 0.000 2.474 35 D HA 0.179 4.819 4.640 -0.000 0.000 0.213 35 D C 0.546 176.788 176.300 -0.097 0.000 1.120 35 D CA 0.070 54.033 54.000 -0.062 0.000 0.836 35 D CB 0.921 41.702 40.800 -0.032 0.000 1.019 35 D HN 0.172 nan 8.370 nan 0.000 0.507 39 N N 1.907 120.667 118.700 0.100 0.000 2.462 39 N HA 0.433 5.173 4.740 -0.000 0.000 0.242 39 N C -1.927 173.658 175.510 0.125 0.000 1.010 39 N CA -2.192 50.942 53.050 0.140 0.000 0.939 39 N CB 1.276 39.845 38.487 0.138 0.000 1.127 39 N HN 0.343 nan 8.380 nan 0.000 0.509 40 P HA -0.031 nan 4.420 nan 0.000 0.226 40 P C -0.618 176.649 177.300 -0.055 0.000 1.153 40 P CA 0.729 63.819 63.100 -0.017 0.000 0.777 40 P CB 0.005 31.637 31.700 -0.112 0.000 0.794 41 Y N 0.629 120.937 120.300 0.013 0.000 2.465 41 Y HA 0.119 4.669 4.550 -0.000 0.000 0.331 41 Y C 1.384 177.293 175.900 0.015 0.000 1.102 41 Y CA 0.103 58.211 58.100 0.014 0.000 1.358 41 Y CB 0.179 38.650 38.460 0.018 0.000 1.213 41 Y HN -0.203 nan 8.280 nan 0.000 0.525 42 R N 2.185 122.759 120.500 0.124 0.000 2.532 42 R HA 0.456 4.796 4.340 -0.000 0.000 0.272 42 R C -0.759 175.600 176.300 0.099 0.000 1.032 42 R CA -0.965 55.182 56.100 0.078 0.000 1.089 42 R CB 0.622 30.940 30.300 0.029 0.000 1.098 42 R HN 0.436 nan 8.270 nan 0.000 0.526 43 L N 2.024 123.288 121.223 0.068 0.000 2.479 43 L HA 0.277 4.617 4.340 -0.000 0.000 0.248 43 L C -1.968 174.934 176.870 0.053 0.000 1.205 43 L CA -1.540 53.340 54.840 0.068 0.000 0.817 43 L CB -0.153 41.943 42.059 0.062 0.000 1.162 43 L HN 0.465 nan 8.230 nan 0.000 0.486 44 P HA 0.117 nan 4.420 nan 0.000 0.271 44 P C -2.112 175.204 177.300 0.027 0.000 1.218 44 P CA -1.062 62.061 63.100 0.039 0.000 0.780 44 P CB 0.046 31.770 31.700 0.039 0.000 0.901 45 P HA -0.307 nan 4.420 nan 0.000 0.218 45 P C 1.290 178.597 177.300 0.012 0.000 1.154 45 P CA 2.370 65.476 63.100 0.010 0.000 0.872 45 P CB -0.393 31.314 31.700 0.010 0.000 0.790 46 A N -1.491 121.342 122.820 0.022 0.000 1.908 46 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 46 A C 2.053 179.662 177.584 0.042 0.000 1.181 46 A CA 1.685 53.740 52.037 0.030 0.000 0.627 46 A CB -1.463 17.558 19.000 0.035 0.000 0.818 46 A HN 0.099 nan 8.150 nan 0.000 0.445 47 L N -1.080 120.171 121.223 0.045 0.000 2.095 47 L HA 0.063 4.403 4.340 -0.000 0.000 0.204 47 L C 2.487 179.367 176.870 0.016 0.000 1.080 47 L CA 1.520 56.412 54.840 0.088 0.000 0.759 47 L CB -0.808 41.292 42.059 0.069 0.000 0.914 47 L HN 0.288 nan 8.230 nan 0.000 0.439 48 R N -0.382 120.103 120.500 -0.024 0.000 2.094 48 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 48 R C 2.467 178.707 176.300 -0.100 0.000 1.137 48 R CA 2.003 58.055 56.100 -0.080 0.000 0.943 48 R CB -0.527 29.748 30.300 -0.041 0.000 0.850 48 R HN 0.542 nan 8.270 nan 0.000 0.433 49 S N -0.134 115.535 115.700 -0.051 0.000 2.428 49 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 49 S C 1.902 176.477 174.600 -0.042 0.000 1.014 49 S CA 1.089 59.264 58.200 -0.042 0.000 0.957 49 S CB -0.052 63.139 63.200 -0.015 0.000 0.784 49 S HN 0.392 nan 8.310 nan 0.000 0.499 50 E N 0.516 120.706 120.200 -0.018 0.000 2.106 50 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 50 E C 1.987 178.534 176.600 -0.088 0.000 0.984 50 E CA 0.967 57.388 56.400 0.036 0.000 0.806 50 E CB -0.153 29.656 29.700 0.181 0.000 0.750 50 E HN 0.477 nan 8.360 nan 0.000 0.458 51 L N 0.843 121.833 121.223 -0.388 0.000 2.027 51 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 51 L C 2.274 178.950 176.870 -0.322 0.000 1.074 51 L CA 2.097 56.510 54.840 -0.712 0.000 0.745 51 L CB -0.765 40.681 42.059 -1.022 0.000 0.898 51 L HN 0.133 nan 8.230 nan 0.000 0.433 52 A N -0.399 122.294 122.820 -0.213 0.000 1.940 52 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 52 A C 2.444 179.979 177.584 -0.082 0.000 1.176 52 A CA 2.000 53.964 52.037 -0.123 0.000 0.631 52 A CB -1.184 17.763 19.000 -0.088 0.000 0.814 52 A HN 0.584 nan 8.150 nan 0.000 0.446 53 A N -0.565 122.215 122.820 -0.066 0.000 1.877 53 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 53 A C 2.263 179.834 177.584 -0.021 0.000 1.186 53 A CA 1.753 53.773 52.037 -0.029 0.000 0.620 53 A CB -0.459 18.538 19.000 -0.006 0.000 0.822 53 A HN 0.539 nan 8.150 nan 0.000 0.443 54 R N -0.512 119.971 120.500 -0.028 0.000 2.075 54 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 54 R C 1.977 178.268 176.300 -0.015 0.000 1.126 54 R CA 1.269 57.370 56.100 0.001 0.000 0.963 54 R CB -0.312 30.016 30.300 0.046 0.000 0.858 54 R HN 0.535 nan 8.270 nan 0.000 0.435 55 L N -0.876 120.315 121.223 -0.053 0.000 2.109 55 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 55 L C 2.515 179.368 176.870 -0.029 0.000 1.086 55 L CA 1.205 56.019 54.840 -0.043 0.000 0.760 55 L CB -0.691 41.326 42.059 -0.069 0.000 0.910 55 L HN 0.419 nan 8.230 nan 0.000 0.437 56 G N -0.211 108.569 108.800 -0.032 0.000 2.418 56 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 56 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 56 G C 1.500 176.394 174.900 -0.011 0.000 1.158 56 G CA 0.880 45.967 45.100 -0.022 0.000 0.771 56 G HN 0.310 nan 8.290 nan 0.000 0.545 57 E N -0.233 119.963 120.200 -0.006 0.000 2.077 57 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 57 E C 2.919 179.522 176.600 0.005 0.000 0.989 57 E CA 0.878 57.279 56.400 0.002 0.000 0.800 57 E CB -0.590 29.115 29.700 0.009 0.000 0.746 57 E HN 0.308 nan 8.360 nan 0.000 0.452 58 V N 0.851 120.768 119.914 0.005 0.000 2.490 58 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 58 V C 2.509 178.606 176.094 0.004 0.000 1.061 58 V CA 1.648 63.953 62.300 0.008 0.000 1.064 58 V CB -0.964 30.867 31.823 0.013 0.000 0.670 58 V HN 0.502 nan 8.190 nan 0.000 0.461 59 A N -0.040 122.779 122.820 -0.002 0.000 1.855 59 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 59 A C 2.007 179.589 177.584 -0.002 0.000 1.191 59 A CA 1.554 53.589 52.037 -0.004 0.000 0.613 59 A CB -0.515 18.479 19.000 -0.009 0.000 0.829 59 A HN 0.506 nan 8.150 nan 0.000 0.442 60 L N -0.243 120.979 121.223 -0.002 0.000 2.650 60 L HA 0.001 4.341 4.340 -0.000 0.000 0.235 60 L C -0.051 176.821 176.870 0.002 0.000 1.149 60 L CA 0.039 54.879 54.840 -0.001 0.000 0.887 60 L CB -0.608 41.450 42.059 -0.002 0.000 1.021 60 L HN 0.444 nan 8.230 nan 0.000 0.441 61 N N -0.475 118.228 118.700 0.004 0.000 2.754 61 N HA -0.254 4.486 4.740 -0.000 0.000 0.248 61 N C 1.200 176.714 175.510 0.008 0.000 1.093 61 N CA 1.121 54.175 53.050 0.007 0.000 0.699 61 N CB -0.935 37.555 38.487 0.006 0.000 1.016 61 N HN 0.601 nan 8.380 nan 0.000 0.552 62 R N -0.445 120.060 120.500 0.008 0.000 2.087 62 R HA 0.205 4.544 4.340 -0.000 0.000 0.216 62 R C 1.287 177.594 176.300 0.012 0.000 1.114 62 R CA 1.699 57.804 56.100 0.009 0.000 1.002 62 R CB -0.821 29.483 30.300 0.007 0.000 0.903 62 R HN 0.441 nan 8.270 nan 0.000 0.445 63 Y N 1.887 122.196 120.300 0.015 0.000 2.335 63 Y HA 0.676 5.226 4.550 -0.000 0.000 0.323 63 Y C -2.085 173.827 175.900 0.020 0.000 1.224 63 Y CA -3.210 54.902 58.100 0.020 0.000 1.241 63 Y CB 0.493 38.969 38.460 0.026 0.000 1.235 63 Y HN 0.350 nan 8.280 nan 0.000 0.492 64 P HA 0.276 nan 4.420 nan 0.000 0.272 64 P C -0.079 177.234 177.300 0.022 0.000 1.240 64 P CA -0.056 63.056 63.100 0.020 0.000 0.791 64 P CB 1.501 33.212 31.700 0.019 0.000 0.978 65 V N 2.862 122.788 119.914 0.020 0.000 2.529 65 V HA 0.098 4.218 4.120 -0.000 0.000 0.292 65 V C -1.942 174.166 176.094 0.024 0.000 1.028 65 V CA -1.333 60.980 62.300 0.021 0.000 1.074 65 V CB -0.249 31.586 31.823 0.019 0.000 0.958 65 V HN 0.508 nan 8.190 nan 0.000 0.481 66 P HA 0.157 nan 4.420 nan 0.000 0.274 66 P C -0.417 176.898 177.300 0.025 0.000 1.291 66 P CA 0.224 63.342 63.100 0.029 0.000 0.815 66 P CB 0.589 32.310 31.700 0.037 0.000 0.897 67 S N 2.538 118.249 115.700 0.020 0.000 2.533 67 S HA 0.058 4.527 4.470 -0.000 0.000 0.282 67 S C 1.465 176.074 174.600 0.015 0.000 1.304 67 S CA -0.209 58.000 58.200 0.016 0.000 1.063 67 S CB 0.095 63.302 63.200 0.012 0.000 0.881 67 S HN 0.342 nan 8.310 nan 0.000 0.493 68 S N 4.176 119.886 115.700 0.017 0.000 2.368 68 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 68 S C 2.434 177.038 174.600 0.008 0.000 1.030 68 S CA 1.488 59.697 58.200 0.016 0.000 0.999 68 S CB -0.771 62.442 63.200 0.022 0.000 0.844 68 S HN 0.944 nan 8.310 nan 0.000 0.459 69 E N 1.341 121.545 120.200 0.008 0.000 2.110 69 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 69 E C 2.147 178.744 176.600 -0.004 0.000 0.988 69 E CA 1.466 57.868 56.400 0.003 0.000 0.804 69 E CB -1.145 28.558 29.700 0.005 0.000 0.745 69 E HN 0.619 nan 8.360 nan 0.000 0.458 70 A N 0.043 122.862 122.820 -0.002 0.000 1.898 70 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 70 A C 2.436 180.011 177.584 -0.016 0.000 1.181 70 A CA 1.703 53.735 52.037 -0.007 0.000 0.620 70 A CB -0.388 18.612 19.000 -0.001 0.000 0.819 70 A HN 0.571 nan 8.150 nan 0.000 0.442 71 L N -0.079 121.136 121.223 -0.014 0.000 2.056 71 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 71 L C 2.400 179.236 176.870 -0.058 0.000 1.078 71 L CA 1.835 56.658 54.840 -0.028 0.000 0.749 71 L CB -0.665 41.387 42.059 -0.012 0.000 0.901 71 L HN 0.333 nan 8.230 nan 0.000 0.433 72 R N -0.533 119.940 120.500 -0.044 0.000 2.081 72 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 72 R C 2.213 178.479 176.300 -0.056 0.000 1.131 72 R CA 1.306 57.373 56.100 -0.055 0.000 0.960 72 R CB -0.659 29.629 30.300 -0.020 0.000 0.856 72 R HN 0.525 nan 8.270 nan 0.000 0.436 73 A N 1.209 124.007 122.820 -0.037 0.000 1.933 73 A HA -0.196 4.123 4.320 -0.000 0.000 0.218 73 A C 2.051 179.609 177.584 -0.044 0.000 1.175 73 A CA 1.465 53.483 52.037 -0.032 0.000 0.628 73 A CB -0.216 18.771 19.000 -0.021 0.000 0.814 73 A HN 0.067 nan 8.150 nan 0.000 0.444 74 K N -0.090 120.277 120.400 -0.054 0.000 2.103 74 K HA 0.095 4.415 4.320 -0.000 0.000 0.204 74 K C 1.741 178.289 176.600 -0.087 0.000 1.052 74 K CA 1.003 57.252 56.287 -0.062 0.000 0.945 74 K CB -0.490 31.976 32.500 -0.057 0.000 0.722 74 K HN 0.458 nan 8.250 nan 0.000 0.443 75 L N 0.519 121.662 121.223 -0.133 0.000 2.012 75 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 75 L C 2.253 179.046 176.870 -0.130 0.000 1.073 75 L CA 1.616 56.328 54.840 -0.212 0.000 0.748 75 L CB -0.357 41.461 42.059 -0.403 0.000 0.891 75 L HN 0.167 nan 8.230 nan 0.000 0.431 76 K N -0.361 119.989 120.400 -0.083 0.000 2.044 76 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 76 K C 2.055 178.643 176.600 -0.020 0.000 1.049 76 K CA 1.838 58.106 56.287 -0.032 0.000 0.927 76 K CB -0.183 32.306 32.500 -0.018 0.000 0.713 76 K HN 0.338 nan 8.250 nan 0.000 0.443 77 E N 0.974 121.156 120.200 -0.031 0.000 2.015 77 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 77 E C 0.592 177.178 176.600 -0.023 0.000 0.991 77 E CA 0.745 57.130 56.400 -0.025 0.000 0.802 77 E CB 0.165 29.846 29.700 -0.032 0.000 0.759 77 E HN -0.045 nan 8.360 nan 0.000 0.447 81 V N 2.453 122.394 119.914 0.044 0.000 2.485 81 V HA 0.127 4.247 4.120 -0.000 0.000 0.287 81 V C -1.678 174.442 176.094 0.044 0.000 1.022 81 V CA -0.680 61.655 62.300 0.059 0.000 1.067 81 V CB -0.008 31.849 31.823 0.058 0.000 0.967 81 V HN 0.263 nan 8.190 nan 0.000 0.479 82 P HA 0.159 nan 4.420 nan 0.000 0.268 82 P C -0.202 177.116 177.300 0.030 0.000 1.208 82 P CA -0.088 63.032 63.100 0.034 0.000 0.777 82 P CB 0.396 32.117 31.700 0.036 0.000 0.875 83 A N 1.938 124.770 122.820 0.020 0.000 2.540 83 A HA 0.480 4.800 4.320 -0.000 0.000 0.239 83 A C 0.943 178.540 177.584 0.023 0.000 1.061 83 A CA 0.935 52.983 52.037 0.017 0.000 0.758 83 A CB -1.243 17.763 19.000 0.009 0.000 0.991 83 A HN 0.901 nan 8.150 nan 0.000 0.502 87 V N 2.963 122.920 119.914 0.073 0.000 2.555 87 V HA 0.586 4.706 4.120 -0.000 0.000 0.302 87 V C -0.388 175.758 176.094 0.088 0.000 1.038 87 V CA -0.751 61.606 62.300 0.094 0.000 0.887 87 V CB 1.619 33.475 31.823 0.055 0.000 0.991 87 V HN 0.596 nan 8.190 nan 0.000 0.434 88 L N 5.342 126.636 121.223 0.117 0.000 2.362 88 L HA 0.667 5.007 4.340 -0.000 0.000 0.275 88 L C -1.114 175.833 176.870 0.128 0.000 0.998 88 L CA -0.457 54.443 54.840 0.099 0.000 0.820 88 L CB 1.560 43.673 42.059 0.089 0.000 1.270 88 L HN 0.534 nan 8.230 nan 0.000 0.415 89 L N 4.252 125.536 121.223 0.101 0.000 2.399 89 L HA 0.849 5.189 4.340 -0.000 0.000 0.265 89 L C 0.477 177.407 176.870 0.099 0.000 1.089 89 L CA -0.472 54.438 54.840 0.116 0.000 0.802 89 L CB 1.454 43.561 42.059 0.081 0.000 1.180 89 L HN 0.779 nan 8.230 nan 0.000 0.454 90 G N -0.055 108.811 108.800 0.110 0.000 2.660 90 G HA2 0.233 4.193 3.960 -0.000 0.000 0.290 90 G HA3 0.233 4.193 3.960 -0.000 0.000 0.290 90 G C -1.304 173.655 174.900 0.098 0.000 1.432 90 G CA -0.689 44.466 45.100 0.091 0.000 0.807 90 G HN 0.479 nan 8.290 nan 0.000 0.485 91 N N 1.100 119.864 118.700 0.106 0.000 2.605 91 N HA 0.432 5.171 4.740 -0.000 0.000 0.258 91 N C 0.919 176.474 175.510 0.075 0.000 1.156 91 N CA 1.183 54.295 53.050 0.104 0.000 1.008 91 N CB 0.647 39.225 38.487 0.151 0.000 1.354 91 N HN 1.358 nan 8.380 nan 0.000 0.509 92 G N 1.088 109.924 108.800 0.059 0.000 2.855 92 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.352 92 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.352 92 G C 0.916 175.819 174.900 0.005 0.000 1.415 92 G CA 0.020 45.136 45.100 0.027 0.000 0.871 92 G HN 0.479 nan 8.290 nan 0.000 0.543 93 S N -0.526 115.151 115.700 -0.037 0.000 2.406 93 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 93 S C 1.925 176.501 174.600 -0.040 0.000 1.020 93 S CA 1.847 60.012 58.200 -0.059 0.000 0.965 93 S CB -0.237 62.887 63.200 -0.126 0.000 0.798 93 S HN 1.212 nan 8.310 nan 0.000 0.488 94 D N 1.854 122.227 120.400 -0.045 0.000 2.123 94 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 94 D C 1.807 178.088 176.300 -0.031 0.000 0.992 94 D CA 1.627 55.588 54.000 -0.064 0.000 0.833 94 D CB -0.834 39.927 40.800 -0.064 0.000 0.954 94 D HN 0.662 nan 8.370 nan 0.000 0.455 95 E N -0.019 120.187 120.200 0.011 0.000 2.051 95 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 95 E C 2.276 178.894 176.600 0.030 0.000 0.991 95 E CA 0.767 57.187 56.400 0.033 0.000 0.799 95 E CB 0.060 29.799 29.700 0.066 0.000 0.748 95 E HN 0.181 nan 8.360 nan 0.000 0.449 96 I N 1.177 121.768 120.570 0.035 0.000 2.179 96 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 96 I C 2.498 178.667 176.117 0.088 0.000 1.088 96 I CA 1.154 62.485 61.300 0.052 0.000 1.357 96 I CB -0.989 37.037 38.000 0.043 0.000 1.051 96 I HN 0.265 nan 8.210 nan 0.000 0.409 97 I N 0.291 120.915 120.570 0.090 0.000 2.208 97 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 97 I C 1.599 177.804 176.117 0.146 0.000 1.097 97 I CA 0.692 62.093 61.300 0.168 0.000 1.363 97 I CB -0.279 37.726 38.000 0.009 0.000 1.051 97 I HN 0.138 nan 8.210 nan 0.000 0.413 101 A N 0.342 123.303 122.820 0.234 0.000 1.883 101 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 101 A C 1.942 179.611 177.584 0.142 0.000 1.186 101 A CA 2.302 54.479 52.037 0.234 0.000 0.624 101 A CB -0.550 18.644 19.000 0.323 0.000 0.822 101 A HN 0.314 nan 8.150 nan 0.000 0.444 102 L N -0.260 121.030 121.223 0.111 0.000 2.017 102 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 102 L C 2.753 179.666 176.870 0.071 0.000 1.073 102 L CA 2.191 57.078 54.840 0.077 0.000 0.745 102 L CB -0.906 41.186 42.059 0.054 0.000 0.894 102 L HN 0.365 nan 8.230 nan 0.000 0.432 103 A N -0.759 122.107 122.820 0.076 0.000 1.978 103 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 103 A C 2.131 179.766 177.584 0.083 0.000 1.170 103 A CA 1.687 53.770 52.037 0.077 0.000 0.636 103 A CB -0.941 18.114 19.000 0.092 0.000 0.810 103 A HN 0.530 nan 8.150 nan 0.000 0.448 104 A N -1.069 121.804 122.820 0.087 0.000 2.379 104 A HA 0.608 4.928 4.320 -0.000 0.000 0.236 104 A C 1.144 178.769 177.584 0.068 0.000 1.272 104 A CA 0.554 52.640 52.037 0.080 0.000 0.886 104 A CB -0.566 18.476 19.000 0.071 0.000 0.962 104 A HN 0.936 nan 8.150 nan 0.000 0.504 105 A N 1.121 123.981 122.820 0.066 0.000 3.037 105 A HA 0.431 4.751 4.320 -0.000 0.000 0.272 105 A C 0.605 178.217 177.584 0.047 0.000 1.723 105 A CA -0.291 51.782 52.037 0.059 0.000 1.413 105 A CB -0.477 18.559 19.000 0.060 0.000 1.112 105 A HN 0.515 nan 8.150 nan 0.000 0.606 106 R N 1.023 121.549 120.500 0.043 0.000 2.596 106 R HA 0.428 4.768 4.340 -0.000 0.000 0.267 106 R C -2.654 173.665 176.300 0.031 0.000 1.026 106 R CA -1.975 54.147 56.100 0.035 0.000 1.087 106 R CB 0.411 30.731 30.300 0.035 0.000 1.132 106 R HN 0.246 nan 8.270 nan 0.000 0.531 107 P HA -0.001 nan 4.420 nan 0.000 0.263 107 P C 0.401 177.715 177.300 0.024 0.000 1.195 107 P CA 0.799 63.913 63.100 0.024 0.000 0.762 107 P CB 0.450 32.161 31.700 0.020 0.000 0.799 108 G N 2.215 111.030 108.800 0.025 0.000 2.168 108 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.263 108 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.263 108 G C 0.501 175.414 174.900 0.022 0.000 0.977 108 G CA 0.039 45.153 45.100 0.024 0.000 0.659 108 G HN 0.877 nan 8.290 nan 0.000 0.533 109 A N -0.207 122.628 122.820 0.025 0.000 2.511 109 A HA 0.586 4.906 4.320 -0.000 0.000 0.242 109 A C 0.590 178.182 177.584 0.012 0.000 1.069 109 A CA 0.810 52.860 52.037 0.021 0.000 0.763 109 A CB 0.320 19.338 19.000 0.031 0.000 1.001 109 A HN 0.555 nan 8.150 nan 0.000 0.498 110 K N 1.382 121.775 120.400 -0.012 0.000 2.375 110 K HA 0.667 4.987 4.320 -0.000 0.000 0.249 110 K C -0.978 175.569 176.600 -0.088 0.000 0.942 110 K CA -0.783 55.476 56.287 -0.047 0.000 0.806 110 K CB 2.298 34.756 32.500 -0.070 0.000 1.227 110 K HN 0.399 nan 8.250 nan 0.000 0.430 114 P HA 0.411 nan 4.420 nan 0.000 0.269 114 P C -0.390 176.936 177.300 0.044 0.000 1.209 114 P CA -0.063 63.012 63.100 -0.042 0.000 0.776 114 P CB 0.822 32.442 31.700 -0.134 0.000 0.876 115 V N -0.481 119.422 119.914 -0.018 0.000 2.735 115 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 115 V C -2.688 173.208 176.094 -0.329 0.000 1.061 115 V CA -3.139 59.097 62.300 -0.107 0.000 0.913 115 V CB 1.893 33.704 31.823 -0.019 0.000 1.005 115 V HN 0.338 nan 8.190 nan 0.000 0.428 116 P HA 0.479 nan 4.420 nan 0.000 0.271 116 P C 0.051 177.276 177.300 -0.126 0.000 1.216 116 P CA 0.716 63.633 63.100 -0.305 0.000 0.771 116 P CB 1.357 32.882 31.700 -0.291 0.000 0.864 117 G N -0.191 108.571 108.800 -0.064 0.000 2.721 117 G HA2 0.494 4.453 3.960 -0.000 0.000 0.296 117 G HA3 0.494 4.453 3.960 -0.000 0.000 0.296 117 G C 0.566 175.446 174.900 -0.033 0.000 1.383 117 G CA -0.312 44.791 45.100 0.005 0.000 0.788 117 G HN 0.233 nan 8.290 nan 0.000 0.500 118 F N -0.409 119.552 119.950 0.018 0.000 2.045 118 F HA 0.115 4.642 4.527 -0.000 0.000 0.297 118 F C 1.720 177.462 175.800 -0.096 0.000 1.114 118 F CA 2.260 60.265 58.000 0.009 0.000 1.207 118 F CB -1.143 37.951 39.000 0.157 0.000 0.964 118 F HN 0.398 nan 8.300 nan 0.000 0.486 125 A N 1.582 124.367 122.820 -0.059 0.000 1.902 125 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 125 A C 1.775 179.259 177.584 -0.167 0.000 1.181 125 A CA 1.789 53.775 52.037 -0.085 0.000 0.623 125 A CB -0.686 18.262 19.000 -0.085 0.000 0.818 125 A HN 0.690 nan 8.150 nan 0.000 0.443 126 Q N -1.972 117.623 119.800 -0.341 0.000 2.472 126 Q HA 0.037 4.377 4.340 -0.000 0.000 0.208 126 Q C -0.461 175.123 176.000 -0.693 0.000 0.958 126 Q CA 0.368 55.835 55.803 -0.559 0.000 0.932 126 Q CB 0.075 28.347 28.738 -0.777 0.000 1.007 126 Q HN 0.690 nan 8.270 nan 0.000 0.508 127 F N -0.180 119.699 119.950 -0.119 0.000 2.831 127 F HA 0.419 4.946 4.527 -0.000 0.000 0.355 127 F C 0.438 176.236 175.800 -0.003 0.000 1.341 127 F CA -0.846 57.121 58.000 -0.054 0.000 1.201 127 F CB 0.283 39.268 39.000 -0.025 0.000 1.058 127 F HN -0.101 nan 8.300 nan 0.000 0.514 128 A N 0.095 122.975 122.820 0.101 0.000 2.715 128 A HA 0.003 4.323 4.320 -0.000 0.000 0.301 128 A C 1.940 179.572 177.584 0.080 0.000 1.515 128 A CA 1.299 53.383 52.037 0.077 0.000 0.816 128 A CB -1.818 17.235 19.000 0.088 0.000 1.004 128 A HN 1.767 nan 8.150 nan 0.000 0.483 129 G N -3.614 105.233 108.800 0.079 0.000 2.179 129 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.260 129 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.260 129 G C 0.091 175.046 174.900 0.091 0.000 0.977 129 G CA 0.527 45.671 45.100 0.072 0.000 0.641 129 G HN 1.425 nan 8.290 nan 0.000 0.533 130 L N 1.210 122.507 121.223 0.123 0.000 2.456 130 L HA 0.351 4.690 4.340 -0.000 0.000 0.272 130 L C 1.083 178.023 176.870 0.117 0.000 1.189 130 L CA 0.148 55.052 54.840 0.107 0.000 0.846 130 L CB 0.642 42.765 42.059 0.107 0.000 1.111 130 L HN 0.382 nan 8.230 nan 0.000 0.475 131 E N 2.076 122.320 120.200 0.075 0.000 2.415 131 E HA -0.028 4.322 4.350 -0.000 0.000 0.263 131 E C -1.102 175.546 176.600 0.079 0.000 0.995 131 E CA -0.240 56.203 56.400 0.072 0.000 0.915 131 E CB 0.412 30.127 29.700 0.024 0.000 0.951 131 E HN 0.374 nan 8.360 nan 0.000 0.449 132 F N 4.985 124.917 119.950 -0.029 0.000 2.404 132 F HA 0.361 4.888 4.527 -0.000 0.000 0.339 132 F C -1.032 174.705 175.800 -0.105 0.000 1.105 132 F CA -0.657 57.306 58.000 -0.061 0.000 1.087 132 F CB 1.102 40.118 39.000 0.027 0.000 1.143 132 F HN 0.141 nan 8.300 nan 0.000 0.491 133 V N 5.773 125.086 119.914 -1.003 0.000 2.376 133 V HA 0.504 4.624 4.120 -0.000 0.000 0.287 133 V C 0.259 175.703 176.094 -1.082 0.000 1.015 133 V CA -0.722 61.078 62.300 -0.834 0.000 0.834 133 V CB 1.076 32.476 31.823 -0.705 0.000 1.001 133 V HN 1.011 nan 8.190 nan 0.000 0.428 134 G N 3.565 111.932 108.800 -0.722 0.000 2.325 134 G HA2 0.554 4.514 3.960 -0.000 0.000 0.298 134 G HA3 0.554 4.514 3.960 -0.000 0.000 0.298 134 G C -0.688 174.113 174.900 -0.165 0.000 1.134 134 G CA -0.347 44.545 45.100 -0.347 0.000 0.876 134 G HN 0.538 nan 8.290 nan 0.000 0.452 135 V N 4.993 124.824 119.914 -0.139 0.000 2.347 135 V HA 0.271 4.391 4.120 -0.000 0.000 0.280 135 V C -2.002 174.068 176.094 -0.039 0.000 1.021 135 V CA -1.799 60.453 62.300 -0.081 0.000 0.847 135 V CB 1.753 33.514 31.823 -0.104 0.000 0.990 135 V HN 0.572 nan 8.190 nan 0.000 0.444 136 P HA 0.122 nan 4.420 nan 0.000 0.264 136 P C -0.022 177.276 177.300 -0.004 0.000 1.193 136 P CA 0.138 63.256 63.100 0.030 0.000 0.763 136 P CB 0.488 32.250 31.700 0.102 0.000 0.810 137 L N 3.020 124.243 121.223 0.001 0.000 2.476 137 L HA 0.197 4.537 4.340 -0.000 0.000 0.255 137 L C 1.627 178.520 176.870 0.038 0.000 1.218 137 L CA -0.303 54.554 54.840 0.029 0.000 0.819 137 L CB 0.125 42.272 42.059 0.146 0.000 1.119 137 L HN 0.346 nan 8.230 nan 0.000 0.485 138 R N 0.017 120.529 120.500 0.020 0.000 2.774 138 R HA 0.117 4.457 4.340 -0.000 0.000 0.269 138 R C 1.138 177.374 176.300 -0.106 0.000 1.068 138 R CA 0.221 56.309 56.100 -0.019 0.000 1.180 138 R CB 0.323 30.614 30.300 -0.014 0.000 1.077 138 R HN 0.805 nan 8.270 nan 0.000 0.513 139 A N 1.543 124.281 122.820 -0.138 0.000 1.986 139 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 139 A C 1.236 178.461 177.584 -0.599 0.000 1.171 139 A CA 2.145 54.023 52.037 -0.264 0.000 0.640 139 A CB -0.511 18.415 19.000 -0.122 0.000 0.811 139 A HN 0.851 nan 8.150 nan 0.000 0.451 140 D N -2.898 117.275 120.400 -0.379 0.000 2.328 140 D HA 0.108 4.748 4.640 -0.000 0.000 0.226 140 D C 0.163 176.281 176.300 -0.304 0.000 1.066 140 D CA -0.152 53.657 54.000 -0.318 0.000 0.861 140 D CB -0.688 40.102 40.800 -0.017 0.000 0.912 140 D HN 0.359 nan 8.370 nan 0.000 0.521 141 F N -0.320 119.628 119.950 -0.004 0.000 2.914 141 F HA -0.254 4.273 4.527 -0.000 0.000 0.304 141 F C 0.684 176.568 175.800 0.140 0.000 0.712 141 F CA 0.643 58.650 58.000 0.013 0.000 1.211 141 F CB -3.028 35.918 39.000 -0.090 0.000 1.515 141 F HN 0.136 nan 8.300 nan 0.000 0.350 142 T N -1.232 113.456 114.554 0.222 0.000 2.899 142 T HA 0.520 4.869 4.350 -0.000 0.000 0.295 142 T C 0.072 174.851 174.700 0.131 0.000 1.033 142 T CA -0.897 61.340 62.100 0.229 0.000 1.084 142 T CB 1.997 70.952 68.868 0.144 0.000 0.979 142 T HN 0.248 nan 8.240 nan 0.000 0.532 143 L N 2.191 123.452 121.223 0.063 0.000 2.410 143 L HA 0.301 4.641 4.340 -0.000 0.000 0.273 143 L C 0.137 176.948 176.870 -0.098 0.000 1.152 143 L CA 0.145 54.857 54.840 -0.214 0.000 0.855 143 L CB 0.322 42.117 42.059 -0.439 0.000 1.129 143 L HN 0.748 nan 8.230 nan 0.000 0.463 144 D N 4.732 125.066 120.400 -0.110 0.000 2.468 144 D HA 0.102 4.742 4.640 -0.000 0.000 0.218 144 D C 1.156 177.413 176.300 -0.072 0.000 1.155 144 D CA -0.055 53.909 54.000 -0.061 0.000 0.924 144 D CB 0.502 41.274 40.800 -0.046 0.000 1.029 144 D HN 0.602 nan 8.370 nan 0.000 0.515 145 R N 2.359 122.827 120.500 -0.053 0.000 2.096 145 R HA -0.157 4.183 4.340 -0.000 0.000 0.240 145 R C 1.824 178.098 176.300 -0.044 0.000 1.139 145 R CA 1.901 57.970 56.100 -0.051 0.000 0.952 145 R CB -0.320 29.966 30.300 -0.024 0.000 0.854 145 R HN 0.493 nan 8.270 nan 0.000 0.436 146 G N 0.280 109.062 108.800 -0.030 0.000 2.418 146 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 146 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 146 G C 0.625 175.508 174.900 -0.030 0.000 1.158 146 G CA 0.685 45.770 45.100 -0.025 0.000 0.771 146 G HN 0.570 nan 8.290 nan 0.000 0.545 150 A N 1.193 123.995 122.820 -0.030 0.000 1.877 150 A HA 0.263 4.582 4.320 -0.000 0.000 0.216 150 A C 1.467 179.036 177.584 -0.025 0.000 1.186 150 A CA 1.527 53.546 52.037 -0.029 0.000 0.620 150 A CB -0.521 18.465 19.000 -0.025 0.000 0.822 150 A HN 0.390 nan 8.150 nan 0.000 0.443 154 E N 0.497 120.621 120.200 -0.127 0.000 2.072 154 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 154 E C 1.573 177.988 176.600 -0.309 0.000 0.982 154 E CA 1.913 58.164 56.400 -0.249 0.000 0.803 154 E CB -0.206 29.269 29.700 -0.375 0.000 0.755 154 E HN 0.733 nan 8.360 nan 0.000 0.453 155 H N -0.213 118.826 119.070 -0.052 0.000 2.547 155 H HA 0.159 4.715 4.556 -0.000 0.000 0.272 155 H C 0.123 175.419 175.328 -0.054 0.000 0.971 155 H CA 0.881 56.895 56.048 -0.057 0.000 1.245 155 H CB 0.427 30.142 29.762 -0.079 0.000 1.440 155 H HN 0.114 nan 8.280 nan 0.000 0.540 156 Q N 0.688 120.516 119.800 0.046 0.000 2.454 156 Q HA -0.116 4.224 4.340 -0.000 0.000 0.341 156 Q C -2.293 173.711 176.000 0.006 0.000 1.437 156 Q CA 0.254 56.064 55.803 0.012 0.000 0.935 156 Q CB -1.536 27.203 28.738 0.003 0.000 1.164 156 Q HN 0.510 nan 8.270 nan 0.000 0.373 157 P HA 0.168 nan 4.420 nan 0.000 0.272 157 P C 0.348 177.619 177.300 -0.048 0.000 1.230 157 P CA 0.366 63.436 63.100 -0.050 0.000 0.788 157 P CB 0.848 32.489 31.700 -0.099 0.000 0.949 158 A N 2.285 125.075 122.820 -0.050 0.000 1.911 158 A HA 0.167 4.487 4.320 -0.000 0.000 0.212 158 A C 1.200 178.730 177.584 -0.090 0.000 1.189 158 A CA 0.886 52.901 52.037 -0.038 0.000 0.639 158 A CB -0.349 18.645 19.000 -0.011 0.000 0.839 158 A HN 0.546 nan 8.150 nan 0.000 0.449 159 I N 0.344 120.834 120.570 -0.133 0.000 2.498 159 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 159 I C -1.427 174.548 176.117 -0.236 0.000 1.032 159 I CA -0.852 60.306 61.300 -0.237 0.000 1.073 159 I CB 2.389 40.222 38.000 -0.278 0.000 1.251 159 I HN -0.165 nan 8.210 nan 0.000 0.426 160 V N 6.301 126.040 119.914 -0.291 0.000 2.384 160 V HA 0.359 4.479 4.120 -0.000 0.000 0.287 160 V C -0.972 174.963 176.094 -0.264 0.000 1.020 160 V CA -0.578 61.588 62.300 -0.223 0.000 0.850 160 V CB 1.241 32.943 31.823 -0.203 0.000 0.987 160 V HN 0.431 nan 8.190 nan 0.000 0.436 161 Y N 5.174 125.372 120.300 -0.170 0.000 2.331 161 Y HA 0.660 5.210 4.550 -0.000 0.000 0.338 161 Y C -0.004 175.871 175.900 -0.042 0.000 0.992 161 Y CA -0.635 57.411 58.100 -0.091 0.000 1.121 161 Y CB 1.682 40.138 38.460 -0.008 0.000 1.184 161 Y HN 0.432 nan 8.280 nan 0.000 0.469 162 L N 4.021 125.303 121.223 0.098 0.000 2.377 162 L HA 0.614 4.954 4.340 -0.000 0.000 0.270 162 L C -0.223 176.772 176.870 0.208 0.000 0.991 162 L CA -0.958 53.970 54.840 0.147 0.000 0.851 162 L CB 1.434 43.481 42.059 -0.020 0.000 1.218 162 L HN 0.702 nan 8.230 nan 0.000 0.420 163 A N 3.019 126.025 122.820 0.311 0.000 2.450 163 A HA 0.351 4.671 4.320 -0.000 0.000 0.255 163 A C -1.125 176.548 177.584 0.147 0.000 1.096 163 A CA 0.265 52.441 52.037 0.233 0.000 0.778 163 A CB 0.012 19.157 19.000 0.242 0.000 1.031 163 A HN 0.628 nan 8.150 nan 0.000 0.494 164 Y N 5.141 125.424 120.300 -0.028 0.000 2.475 164 Y HA 0.375 4.925 4.550 -0.000 0.000 0.343 164 Y C -2.584 173.313 175.900 -0.006 0.000 1.068 164 Y CA -2.258 55.793 58.100 -0.082 0.000 1.307 164 Y CB 1.769 40.188 38.460 -0.068 0.000 1.097 164 Y HN 0.553 nan 8.280 nan 0.000 0.530 165 P HA 0.111 nan 4.420 nan 0.000 0.274 165 P C -0.711 176.509 177.300 -0.134 0.000 1.246 165 P CA -0.252 62.657 63.100 -0.318 0.000 0.795 165 P CB 1.281 32.796 31.700 -0.307 0.000 1.006 166 N N 1.024 119.555 118.700 -0.282 0.000 2.524 166 N HA 0.142 4.882 4.740 -0.000 0.000 0.283 166 N C -0.468 175.005 175.510 -0.062 0.000 1.142 166 N CA -0.189 52.767 53.050 -0.156 0.000 0.984 166 N CB 0.015 38.354 38.487 -0.246 0.000 1.155 166 N HN 0.288 nan 8.380 nan 0.000 0.467 167 N N 2.165 120.765 118.700 -0.168 0.000 2.392 167 N HA 0.435 5.175 4.740 -0.000 0.000 0.283 167 N C -2.358 172.969 175.510 -0.305 0.000 1.003 167 N CA -2.092 50.720 53.050 -0.396 0.000 0.892 167 N CB 1.922 39.791 38.487 -1.031 0.000 1.193 167 N HN 0.392 nan 8.380 nan 0.000 0.487 168 P HA 0.113 nan 4.420 nan 0.000 0.261 168 P C 0.634 177.849 177.300 -0.141 0.000 1.268 168 P CA 0.326 63.206 63.100 -0.366 0.000 0.833 168 P CB 0.087 31.579 31.700 -0.347 0.000 1.231 169 T N -4.780 109.646 114.554 -0.213 0.000 3.023 169 T HA 0.191 4.541 4.350 -0.000 0.000 0.266 169 T C 1.765 176.434 174.700 -0.051 0.000 1.093 169 T CA 1.174 63.088 62.100 -0.310 0.000 1.129 169 T CB -1.027 67.510 68.868 -0.551 0.000 0.899 169 T HN 0.195 nan 8.240 nan 0.000 0.491 170 G N 2.483 111.292 108.800 0.014 0.000 2.267 170 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 170 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 170 G C 0.076 174.823 174.900 -0.255 0.000 0.998 170 G CA 0.138 45.100 45.100 -0.229 0.000 0.620 170 G HN 0.985 nan 8.290 nan 0.000 0.529 171 N N 0.871 119.462 118.700 -0.182 0.000 2.513 171 N HA 0.471 5.211 4.740 -0.000 0.000 0.274 171 N C 0.013 175.302 175.510 -0.369 0.000 1.189 171 N CA -0.506 52.436 53.050 -0.180 0.000 0.975 171 N CB 1.137 39.616 38.487 -0.013 0.000 1.157 171 N HN 0.312 nan 8.380 nan 0.000 0.465 172 L N 1.593 122.635 121.223 -0.302 0.000 2.265 172 L HA 0.312 4.652 4.340 -0.000 0.000 0.288 172 L C 0.001 176.867 176.870 -0.006 0.000 1.058 172 L CA -0.837 53.774 54.840 -0.382 0.000 0.809 172 L CB 0.062 41.900 42.059 -0.369 0.000 1.179 172 L HN 0.357 nan 8.230 nan 0.000 0.429 173 F N 0.877 120.985 119.950 0.264 0.000 2.545 173 F HA -0.023 4.504 4.527 -0.000 0.000 0.348 173 F C 1.025 176.996 175.800 0.285 0.000 1.163 173 F CA -0.750 57.393 58.000 0.239 0.000 1.331 173 F CB -0.020 39.094 39.000 0.190 0.000 1.138 173 F HN 0.486 nan 8.300 nan 0.000 0.602 174 D N 1.141 121.783 120.400 0.403 0.000 2.451 174 D HA 0.228 4.868 4.640 -0.000 0.000 0.254 174 D C 0.903 177.381 176.300 0.297 0.000 1.204 174 D CA 0.390 54.559 54.000 0.280 0.000 0.896 174 D CB 0.874 41.785 40.800 0.186 0.000 1.136 174 D HN 0.599 nan 8.370 nan 0.000 0.499 175 A N 4.255 127.259 122.820 0.308 0.000 1.908 175 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 175 A C 2.210 179.950 177.584 0.260 0.000 1.181 175 A CA 1.889 54.128 52.037 0.337 0.000 0.627 175 A CB -0.929 18.193 19.000 0.204 0.000 0.818 175 A HN 0.729 nan 8.150 nan 0.000 0.445 176 A N -0.026 122.896 122.820 0.169 0.000 1.877 176 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 176 A C 1.098 178.748 177.584 0.109 0.000 1.186 176 A CA 1.330 53.443 52.037 0.126 0.000 0.620 176 A CB -0.637 18.418 19.000 0.092 0.000 0.822 176 A HN 0.494 nan 8.150 nan 0.000 0.443 180 A N 1.570 124.396 122.820 0.010 0.000 1.908 180 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 180 A C 2.120 179.673 177.584 -0.052 0.000 1.181 180 A CA 1.504 53.540 52.037 -0.001 0.000 0.627 180 A CB -0.645 18.360 19.000 0.009 0.000 0.818 180 A HN 0.219 nan 8.150 nan 0.000 0.445 181 I N -0.515 119.999 120.570 -0.093 0.000 2.179 181 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 181 I C 2.382 178.397 176.117 -0.170 0.000 1.088 181 I CA 1.255 62.476 61.300 -0.131 0.000 1.357 181 I CB -0.353 37.549 38.000 -0.163 0.000 1.051 181 I HN 0.167 nan 8.210 nan 0.000 0.409 182 V N 0.875 120.633 119.914 -0.260 0.000 2.287 182 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 182 V C 2.557 178.541 176.094 -0.184 0.000 1.053 182 V CA 1.945 64.040 62.300 -0.341 0.000 1.027 182 V CB -0.829 30.570 31.823 -0.705 0.000 0.646 182 V HN 0.380 nan 8.190 nan 0.000 0.447 183 R N 0.133 120.572 120.500 -0.102 0.000 2.073 183 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 183 R C 2.487 178.799 176.300 0.020 0.000 1.134 183 R CA 1.424 57.553 56.100 0.049 0.000 0.952 183 R CB -0.697 29.673 30.300 0.116 0.000 0.850 183 R HN 0.528 nan 8.270 nan 0.000 0.433 184 A N 1.504 124.316 122.820 -0.014 0.000 1.940 184 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 184 A C 2.315 179.886 177.584 -0.022 0.000 1.176 184 A CA 1.820 53.846 52.037 -0.017 0.000 0.631 184 A CB -0.587 18.394 19.000 -0.033 0.000 0.814 184 A HN 0.413 nan 8.150 nan 0.000 0.446 185 A N -1.011 121.783 122.820 -0.043 0.000 2.168 185 A HA -0.067 4.252 4.320 -0.000 0.000 0.215 185 A C 1.909 179.491 177.584 -0.003 0.000 1.152 185 A CA 1.159 53.171 52.037 -0.043 0.000 0.716 185 A CB -0.412 18.535 19.000 -0.089 0.000 0.794 185 A HN 0.688 nan 8.150 nan 0.000 0.465 186 Q N -1.636 118.177 119.800 0.022 0.000 2.378 186 Q HA 0.151 4.491 4.340 -0.000 0.000 0.205 186 Q C 1.405 177.434 176.000 0.048 0.000 0.954 186 Q CA 0.798 56.637 55.803 0.059 0.000 0.901 186 Q CB 0.121 28.912 28.738 0.087 0.000 0.981 186 Q HN 0.744 nan 8.270 nan 0.000 0.483 187 G N -0.402 108.416 108.800 0.029 0.000 3.758 187 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.206 187 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.206 187 G C 1.093 176.001 174.900 0.013 0.000 0.946 187 G CA 0.272 45.386 45.100 0.022 0.000 0.885 187 G HN 0.298 nan 8.290 nan 0.000 0.392 188 S N 0.522 116.231 115.700 0.014 0.000 2.383 188 S HA 0.001 4.471 4.470 -0.000 0.000 0.229 188 S C 2.066 176.666 174.600 -0.000 0.000 1.030 188 S CA 2.199 60.404 58.200 0.008 0.000 1.002 188 S CB -0.204 63.004 63.200 0.012 0.000 0.829 188 S HN 0.591 nan 8.310 nan 0.000 0.467 189 V N 0.500 120.411 119.914 -0.006 0.000 2.806 189 V HA 0.280 4.400 4.120 -0.000 0.000 0.239 189 V C 1.277 177.362 176.094 -0.016 0.000 1.113 189 V CA 0.633 62.924 62.300 -0.014 0.000 1.137 189 V CB 0.130 31.940 31.823 -0.021 0.000 0.865 189 V HN 0.946 nan 8.190 nan 0.000 0.482 190 C N -0.887 118.404 119.300 -0.015 0.000 3.293 190 C HA 0.705 5.165 4.460 -0.000 0.000 0.362 190 C C -1.153 173.834 174.990 -0.005 0.000 1.539 190 C CA -1.039 57.971 59.018 -0.013 0.000 1.201 190 C CB 1.806 29.532 27.740 -0.023 0.000 1.770 190 C HN 0.245 nan 8.230 nan 0.000 0.440 191 R N 1.554 122.054 120.500 -0.000 0.000 2.415 191 R HA 0.681 5.021 4.340 -0.000 0.000 0.292 191 R C -1.134 175.175 176.300 0.014 0.000 1.295 191 R CA 0.123 56.234 56.100 0.018 0.000 1.137 191 R CB 1.388 31.704 30.300 0.027 0.000 1.135 191 R HN 0.913 nan 8.270 nan 0.000 0.560 192 S N 1.647 117.345 115.700 -0.004 0.000 2.549 192 S HA 0.391 4.861 4.470 -0.000 0.000 0.280 192 S C -0.920 173.622 174.600 -0.097 0.000 1.109 192 S CA -0.802 57.367 58.200 -0.051 0.000 0.905 192 S CB 2.372 65.509 63.200 -0.104 0.000 1.081 192 S HN 0.412 nan 8.310 nan 0.000 0.477 193 L N 3.116 124.218 121.223 -0.202 0.000 2.319 193 L HA 0.536 4.876 4.340 -0.000 0.000 0.280 193 L C -0.991 175.624 176.870 -0.426 0.000 1.099 193 L CA 0.084 54.649 54.840 -0.458 0.000 0.828 193 L CB 0.489 42.123 42.059 -0.708 0.000 1.150 193 L HN 0.470 nan 8.230 nan 0.000 0.442 194 V N 6.225 125.889 119.914 -0.417 0.000 2.398 194 V HA 0.446 4.566 4.120 -0.000 0.000 0.286 194 V C -0.268 175.564 176.094 -0.436 0.000 1.026 194 V CA -0.673 61.390 62.300 -0.395 0.000 0.868 194 V CB 1.577 33.196 31.823 -0.339 0.000 0.982 194 V HN 0.531 nan 8.190 nan 0.000 0.443 195 V N 5.764 125.396 119.914 -0.470 0.000 2.378 195 V HA 0.371 4.491 4.120 -0.000 0.000 0.288 195 V C -0.085 175.843 176.094 -0.277 0.000 1.016 195 V CA -0.615 61.440 62.300 -0.408 0.000 0.840 195 V CB 1.896 33.384 31.823 -0.558 0.000 0.994 195 V HN 0.608 nan 8.190 nan 0.000 0.431 196 V N 4.024 123.783 119.914 -0.260 0.000 2.348 196 V HA 0.268 4.388 4.120 -0.000 0.000 0.270 196 V C -0.043 175.997 176.094 -0.089 0.000 1.037 196 V CA -0.300 61.847 62.300 -0.255 0.000 0.872 196 V CB 1.479 32.990 31.823 -0.521 0.000 1.002 196 V HN 0.906 nan 8.190 nan 0.000 0.464 197 D N 4.197 124.603 120.400 0.011 0.000 2.396 197 D HA 0.205 4.845 4.640 -0.000 0.000 0.225 197 D C 0.643 176.977 176.300 0.056 0.000 1.121 197 D CA -0.224 53.801 54.000 0.043 0.000 0.853 197 D CB 1.027 41.897 40.800 0.116 0.000 1.043 197 D HN 0.626 nan 8.370 nan 0.000 0.500 198 E N 2.474 122.682 120.200 0.013 0.000 2.423 198 E HA 0.175 4.525 4.350 -0.000 0.000 0.198 198 E C 1.270 177.832 176.600 -0.064 0.000 1.038 198 E CA -0.299 56.127 56.400 0.042 0.000 1.011 198 E CB 0.638 30.398 29.700 0.099 0.000 1.118 198 E HN 0.532 nan 8.360 nan 0.000 0.451 199 A N 0.347 123.052 122.820 -0.191 0.000 1.978 199 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 199 A C 1.082 178.434 177.584 -0.387 0.000 1.170 199 A CA 1.138 52.959 52.037 -0.359 0.000 0.636 199 A CB -0.411 18.256 19.000 -0.556 0.000 0.810 199 A HN 0.304 nan 8.150 nan 0.000 0.448 200 Y N -0.433 119.891 120.300 0.040 0.000 2.583 200 Y HA 0.328 4.878 4.550 -0.000 0.000 0.294 200 Y C 0.810 176.712 175.900 0.003 0.000 1.170 200 Y CA -0.177 57.965 58.100 0.070 0.000 1.265 200 Y CB -0.283 38.273 38.460 0.160 0.000 1.119 200 Y HN 0.418 nan 8.280 nan 0.000 0.522 201 Q N 2.180 122.021 119.800 0.070 0.000 2.340 201 Q HA 0.345 4.685 4.340 -0.000 0.000 0.259 201 Q C -2.636 173.378 176.000 0.024 0.000 0.964 201 Q CA -2.297 53.520 55.803 0.024 0.000 0.900 201 Q CB 1.256 30.016 28.738 0.036 0.000 1.228 201 Q HN 0.055 nan 8.270 nan 0.000 0.449 202 P HA 0.035 nan 4.420 nan 0.000 0.270 202 P C -0.521 176.788 177.300 0.016 0.000 1.223 202 P CA -0.022 63.081 63.100 0.006 0.000 0.785 202 P CB 0.231 31.917 31.700 -0.024 0.000 0.923 203 F N -0.272 119.691 119.950 0.023 0.000 2.586 203 F HA 0.351 4.878 4.527 -0.000 0.000 0.344 203 F C 1.499 177.313 175.800 0.023 0.000 1.188 203 F CA -0.707 57.313 58.000 0.034 0.000 1.359 203 F CB -1.423 37.598 39.000 0.035 0.000 1.129 203 F HN 0.766 nan 8.300 nan 0.000 0.609 204 A N 0.849 123.689 122.820 0.033 0.000 2.745 204 A HA -0.128 4.192 4.320 -0.000 0.000 0.296 204 A C -0.046 177.551 177.584 0.022 0.000 1.500 204 A CA 1.273 53.325 52.037 0.025 0.000 0.766 204 A CB -2.196 16.810 19.000 0.011 0.000 1.030 204 A HN 1.698 nan 8.150 nan 0.000 0.489 205 Q N -0.462 119.359 119.800 0.035 0.000 2.418 205 Q HA 0.495 4.835 4.340 -0.000 0.000 0.276 205 Q C 0.268 176.308 176.000 0.067 0.000 1.081 205 Q CA -0.396 55.427 55.803 0.033 0.000 0.864 205 Q CB 0.883 29.629 28.738 0.013 0.000 1.384 205 Q HN 0.711 nan 8.270 nan 0.000 0.467 206 E N 0.670 120.917 120.200 0.078 0.000 2.383 206 E HA 0.100 4.450 4.350 -0.000 0.000 0.257 206 E C -0.887 175.860 176.600 0.245 0.000 1.079 206 E CA 0.027 56.502 56.400 0.126 0.000 0.934 206 E CB 0.832 30.607 29.700 0.125 0.000 0.978 206 E HN 0.223 nan 8.360 nan 0.000 0.462 207 S N 3.216 119.027 115.700 0.184 0.000 2.638 207 S HA 0.423 4.893 4.470 -0.000 0.000 0.298 207 S C -0.940 173.749 174.600 0.148 0.000 1.111 207 S CA -0.785 57.562 58.200 0.244 0.000 1.027 207 S CB 0.530 63.835 63.200 0.175 0.000 1.064 207 S HN 0.576 nan 8.310 nan 0.000 0.525 211 R N 1.940 122.462 120.500 0.037 0.000 2.316 211 R HA 0.366 4.706 4.340 -0.000 0.000 0.202 211 R C 1.734 178.171 176.300 0.229 0.000 1.029 211 R CA 0.511 56.684 56.100 0.122 0.000 1.018 211 R CB -1.224 29.203 30.300 0.212 0.000 0.888 211 R HN 0.546 nan 8.270 nan 0.000 0.471 212 L N 0.071 121.402 121.223 0.180 0.000 2.079 212 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 212 L C 1.882 178.813 176.870 0.101 0.000 1.081 212 L CA 1.479 56.417 54.840 0.163 0.000 0.752 212 L CB -0.739 41.399 42.059 0.132 0.000 0.896 212 L HN 0.116 nan 8.230 nan 0.000 0.433 213 T N -1.026 113.553 114.554 0.041 0.000 2.929 213 T HA -0.147 4.203 4.350 -0.000 0.000 0.271 213 T C 1.138 175.787 174.700 -0.085 0.000 1.085 213 T CA 1.305 63.398 62.100 -0.012 0.000 1.125 213 T CB -0.142 68.708 68.868 -0.030 0.000 0.874 213 T HN 0.352 nan 8.240 nan 0.000 0.494 214 D N -0.596 119.699 120.400 -0.175 0.000 2.389 214 D HA 0.184 4.824 4.640 -0.000 0.000 0.206 214 D C -0.395 175.444 176.300 -0.768 0.000 1.055 214 D CA 0.264 53.961 54.000 -0.505 0.000 0.856 214 D CB 0.395 40.760 40.800 -0.724 0.000 0.957 214 D HN 0.335 nan 8.370 nan 0.000 0.509 215 F N -0.421 119.572 119.950 0.072 0.000 2.562 215 F HA 0.412 4.939 4.527 -0.000 0.000 0.319 215 F C 1.306 177.168 175.800 0.102 0.000 1.154 215 F CA -1.103 56.947 58.000 0.084 0.000 0.931 215 F CB 2.200 41.258 39.000 0.096 0.000 1.198 215 F HN -0.216 nan 8.300 nan 0.000 0.444 216 G N 1.165 110.137 108.800 0.286 0.000 2.650 216 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 216 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 216 G C 0.691 175.840 174.900 0.416 0.000 1.136 216 G CA 0.352 45.622 45.100 0.283 0.000 0.789 216 G HN 0.567 nan 8.290 nan 0.000 0.536 217 N N -0.273 118.607 118.700 0.300 0.000 2.389 217 N HA 0.237 4.977 4.740 -0.000 0.000 0.260 217 N C -0.545 174.884 175.510 -0.136 0.000 1.191 217 N CA -0.430 52.712 53.050 0.153 0.000 0.885 217 N CB 0.616 39.175 38.487 0.121 0.000 1.162 217 N HN 0.176 nan 8.380 nan 0.000 0.512 218 L N 0.313 121.497 121.223 -0.065 0.000 2.341 218 L HA 0.620 4.959 4.340 -0.000 0.000 0.278 218 L C -1.371 175.399 176.870 -0.167 0.000 1.005 218 L CA -0.685 54.082 54.840 -0.122 0.000 0.818 218 L CB 1.622 43.727 42.059 0.076 0.000 1.259 218 L HN 0.047 nan 8.230 nan 0.000 0.418 219 L N 5.247 126.325 121.223 -0.241 0.000 2.362 219 L HA 0.761 5.101 4.340 -0.000 0.000 0.271 219 L C -0.655 176.149 176.870 -0.110 0.000 1.002 219 L CA -0.859 53.880 54.840 -0.168 0.000 0.818 219 L CB 2.105 44.018 42.059 -0.243 0.000 1.298 219 L HN 0.384 nan 8.230 nan 0.000 0.420 223 T N -2.024 112.360 114.554 -0.283 0.000 2.896 223 T HA 0.682 5.032 4.350 -0.000 0.000 0.297 223 T C -0.613 174.168 174.700 0.135 0.000 1.108 223 T CA -0.739 61.332 62.100 -0.047 0.000 1.004 223 T CB 1.829 70.665 68.868 -0.054 0.000 1.159 223 T HN 0.182 nan 8.240 nan 0.000 0.499 224 V N 1.792 121.833 119.914 0.210 0.000 2.612 224 V HA 0.600 4.720 4.120 -0.000 0.000 0.301 224 V C 0.964 177.129 176.094 0.119 0.000 1.046 224 V CA -0.867 61.545 62.300 0.187 0.000 0.946 224 V CB 1.657 33.587 31.823 0.178 0.000 1.003 224 V HN 1.164 nan 8.190 nan 0.000 0.459 225 S N 2.602 118.367 115.700 0.108 0.000 2.558 225 S HA 0.039 4.509 4.470 -0.000 0.000 0.288 225 S C 1.183 175.837 174.600 0.089 0.000 1.318 225 S CA -0.079 58.176 58.200 0.092 0.000 1.056 225 S CB 0.306 63.563 63.200 0.094 0.000 0.853 225 S HN 0.905 nan 8.310 nan 0.000 0.505 226 K N 4.237 124.680 120.400 0.072 0.000 2.444 226 K HA 0.137 4.457 4.320 -0.000 0.000 0.193 226 K C 0.399 177.026 176.600 0.046 0.000 1.024 226 K CA 0.191 56.512 56.287 0.056 0.000 1.077 226 K CB -0.577 31.950 32.500 0.044 0.000 0.833 226 K HN 0.743 nan 8.250 nan 0.000 0.517 227 L N 1.037 122.296 121.223 0.061 0.000 3.634 227 L HA -0.230 4.110 4.340 -0.000 0.000 0.423 227 L C 0.697 177.581 176.870 0.023 0.000 1.253 227 L CA 0.538 55.409 54.840 0.052 0.000 0.885 227 L CB -2.191 39.898 42.059 0.050 0.000 1.789 227 L HN 0.690 nan 8.230 nan 0.000 0.904 228 G N -0.955 107.864 108.800 0.032 0.000 2.212 228 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.267 228 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.267 228 G C 0.340 175.239 174.900 -0.002 0.000 1.002 228 G CA 0.517 45.629 45.100 0.019 0.000 0.729 228 G HN 0.332 nan 8.290 nan 0.000 0.517 229 L N 0.008 121.227 121.223 -0.008 0.000 2.700 229 L HA 0.689 5.029 4.340 -0.000 0.000 0.234 229 L C 1.630 178.492 176.870 -0.013 0.000 1.156 229 L CA 1.139 55.967 54.840 -0.020 0.000 0.946 229 L CB -0.537 41.500 42.059 -0.037 0.000 1.216 229 L HN 1.518 nan 8.230 nan 0.000 0.493 230 A N -1.069 121.750 122.820 -0.002 0.000 6.507 230 A HA 0.244 4.564 4.320 -0.000 0.000 0.242 230 A C 1.009 178.595 177.584 0.003 0.000 2.201 230 A CA 0.718 52.755 52.037 0.000 0.000 0.699 230 A CB -1.724 17.270 19.000 -0.010 0.000 0.971 230 A HN 1.488 nan 8.150 nan 0.000 0.369 231 G N -2.322 106.479 108.800 0.003 0.000 2.482 231 G HA2 0.264 4.224 3.960 -0.000 0.000 0.214 231 G HA3 0.264 4.224 3.960 -0.000 0.000 0.214 231 G C -0.210 174.700 174.900 0.016 0.000 1.271 231 G CA -0.047 45.055 45.100 0.004 0.000 0.944 231 G HN 2.093 nan 8.290 nan 0.000 0.568 232 I N 1.428 122.010 120.570 0.020 0.000 2.354 232 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 232 I C 0.999 177.140 176.117 0.040 0.000 0.989 232 I CA -0.675 60.643 61.300 0.030 0.000 1.188 232 I CB 1.572 39.591 38.000 0.031 0.000 1.342 232 I HN 0.397 nan 8.210 nan 0.000 0.457 233 R N 4.160 124.686 120.500 0.044 0.000 2.543 233 R HA 0.287 4.627 4.340 -0.000 0.000 0.277 233 R C -0.494 175.847 176.300 0.070 0.000 1.074 233 R CA -0.825 55.308 56.100 0.056 0.000 1.076 233 R CB 0.726 31.053 30.300 0.045 0.000 0.993 233 R HN 0.392 nan 8.270 nan 0.000 0.459 234 L N 1.806 123.086 121.223 0.095 0.000 2.455 234 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 234 L C 0.215 177.178 176.870 0.156 0.000 1.174 234 L CA 0.733 55.647 54.840 0.124 0.000 0.869 234 L CB 0.840 42.981 42.059 0.137 0.000 1.130 234 L HN 0.704 nan 8.230 nan 0.000 0.474 235 G N 4.051 112.934 108.800 0.138 0.000 2.417 235 G HA2 0.572 4.532 3.960 -0.000 0.000 0.334 235 G HA3 0.572 4.532 3.960 -0.000 0.000 0.334 235 G C -1.741 173.287 174.900 0.213 0.000 1.150 235 G CA -0.299 44.859 45.100 0.098 0.000 0.923 235 G HN 0.771 nan 8.290 nan 0.000 0.485 236 Y N -1.480 118.836 120.300 0.026 0.000 2.581 236 Y HA 0.728 5.277 4.550 -0.000 0.000 0.337 236 Y C -1.578 174.341 175.900 0.032 0.000 1.108 236 Y CA -1.691 56.428 58.100 0.031 0.000 1.033 236 Y CB 1.573 40.053 38.460 0.034 0.000 1.318 236 Y HN 0.660 nan 8.280 nan 0.000 0.459 237 V N 2.018 122.033 119.914 0.168 0.000 2.709 237 V HA 0.949 5.069 4.120 -0.000 0.000 0.308 237 V C -1.042 175.148 176.094 0.159 0.000 1.062 237 V CA -0.348 62.001 62.300 0.081 0.000 0.901 237 V CB 1.371 33.218 31.823 0.039 0.000 1.003 237 V HN 1.405 nan 8.190 nan 0.000 0.425 238 A N 4.305 127.208 122.820 0.139 0.000 2.350 238 A HA 1.063 5.383 4.320 -0.000 0.000 0.324 238 A C 0.157 177.804 177.584 0.104 0.000 1.118 238 A CA 0.178 52.302 52.037 0.146 0.000 0.783 238 A CB 1.619 20.727 19.000 0.180 0.000 1.236 238 A HN 2.090 nan 8.150 nan 0.000 0.457 239 G N 0.182 109.052 108.800 0.116 0.000 2.317 239 G HA2 0.373 4.333 3.960 -0.000 0.000 0.293 239 G HA3 0.373 4.333 3.960 -0.000 0.000 0.293 239 G C -1.645 173.353 174.900 0.163 0.000 1.287 239 G CA -0.555 44.623 45.100 0.131 0.000 0.850 239 G HN 0.754 nan 8.290 nan 0.000 0.515 240 D N 0.243 120.782 120.400 0.231 0.000 2.424 240 D HA 0.211 4.851 4.640 -0.000 0.000 0.244 240 D C -1.117 175.285 176.300 0.171 0.000 1.134 240 D CA -1.192 52.928 54.000 0.200 0.000 0.881 240 D CB 1.948 42.888 40.800 0.232 0.000 1.191 240 D HN -0.076 nan 8.370 nan 0.000 0.445 241 P HA -0.148 nan 4.420 nan 0.000 0.218 241 P C 1.008 178.332 177.300 0.040 0.000 1.146 241 P CA 1.211 64.351 63.100 0.068 0.000 0.813 241 P CB 0.216 31.938 31.700 0.038 0.000 0.778 242 Q N -2.662 117.130 119.800 -0.014 0.000 2.224 242 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 242 Q C 1.850 177.757 176.000 -0.155 0.000 0.970 242 Q CA 1.241 56.965 55.803 -0.133 0.000 0.865 242 Q CB -0.336 28.244 28.738 -0.263 0.000 0.922 242 Q HN 0.425 nan 8.270 nan 0.000 0.445 243 W N 0.342 121.649 121.300 0.012 0.000 2.488 243 W HA 0.010 4.670 4.660 -0.000 0.000 0.304 243 W C 1.891 178.417 176.519 0.012 0.000 1.175 243 W CA 0.147 57.497 57.345 0.009 0.000 1.365 243 W CB -0.120 29.345 29.460 0.008 0.000 1.131 243 W HN 0.005 nan 8.180 nan 0.000 0.520 244 L N 0.354 121.738 121.223 0.268 0.000 2.131 244 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 244 L C 2.303 179.238 176.870 0.109 0.000 1.092 244 L CA 1.058 55.996 54.840 0.163 0.000 0.759 244 L CB -0.841 41.297 42.059 0.131 0.000 0.903 244 L HN 0.028 nan 8.230 nan 0.000 0.435 245 E N 0.031 120.282 120.200 0.084 0.000 2.150 245 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 245 E C 2.275 178.903 176.600 0.046 0.000 0.985 245 E CA 0.857 57.286 56.400 0.049 0.000 0.814 245 E CB -0.015 29.700 29.700 0.024 0.000 0.752 245 E HN 0.518 nan 8.360 nan 0.000 0.466 246 Q N 0.249 120.084 119.800 0.060 0.000 2.020 246 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 246 Q C 2.393 178.438 176.000 0.075 0.000 0.974 246 Q CA 0.491 56.330 55.803 0.060 0.000 0.829 246 Q CB -0.723 28.058 28.738 0.071 0.000 0.894 246 Q HN 0.214 nan 8.270 nan 0.000 0.433 247 L N 1.918 123.204 121.223 0.106 0.000 2.081 247 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 247 L C 1.600 178.505 176.870 0.059 0.000 1.080 247 L CA 1.975 56.869 54.840 0.091 0.000 0.754 247 L CB -0.665 41.458 42.059 0.106 0.000 0.893 247 L HN 0.107 nan 8.230 nan 0.000 0.433 248 D N -0.792 119.641 120.400 0.054 0.000 2.310 248 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 248 D C 1.960 178.271 176.300 0.019 0.000 0.965 248 D CA 0.769 54.790 54.000 0.035 0.000 0.879 248 D CB 0.090 40.911 40.800 0.036 0.000 0.921 248 D HN 0.390 nan 8.370 nan 0.000 0.510 249 K N -0.595 119.818 120.400 0.023 0.000 2.366 249 K HA -0.006 4.314 4.320 -0.000 0.000 0.198 249 K C 1.485 178.088 176.600 0.005 0.000 1.044 249 K CA 0.713 57.008 56.287 0.013 0.000 0.973 249 K CB 0.489 33.000 32.500 0.017 0.000 0.767 249 K HN 0.139 nan 8.250 nan 0.000 0.475 250 V N -1.070 118.849 119.914 0.008 0.000 3.271 250 V HA 0.210 4.329 4.120 -0.000 0.000 0.327 250 V C 0.372 176.449 176.094 -0.028 0.000 1.389 250 V CA -0.727 61.572 62.300 -0.001 0.000 1.156 250 V CB -0.675 31.159 31.823 0.018 0.000 1.103 250 V HN 0.080 nan 8.190 nan 0.000 0.453 251 R N 2.009 122.484 120.500 -0.043 0.000 2.623 251 R HA 0.272 4.612 4.340 -0.000 0.000 0.271 251 R C -2.060 174.139 176.300 -0.169 0.000 1.043 251 R CA -0.874 55.170 56.100 -0.093 0.000 1.083 251 R CB 0.189 30.444 30.300 -0.076 0.000 0.974 251 R HN 0.322 nan 8.270 nan 0.000 0.436 252 P HA 0.064 nan 4.420 nan 0.000 0.271 252 P C -2.387 174.637 177.300 -0.461 0.000 1.244 252 P CA -1.020 61.802 63.100 -0.463 0.000 0.793 252 P CB 0.206 31.361 31.700 -0.908 0.000 0.984 253 P HA 0.114 nan 4.420 nan 0.000 0.225 253 P C -1.318 176.019 177.300 0.061 0.000 1.768 253 P CA 0.114 63.169 63.100 -0.076 0.000 0.943 253 P CB -0.892 30.818 31.700 0.016 0.000 1.936 254 Y N -1.486 118.823 120.300 0.016 0.000 2.583 254 Y HA 0.457 5.006 4.550 -0.000 0.000 0.330 254 Y C -0.738 175.174 175.900 0.019 0.000 1.185 254 Y CA -1.809 56.300 58.100 0.016 0.000 1.107 254 Y CB -0.103 38.365 38.460 0.014 0.000 1.344 254 Y HN -0.087 nan 8.280 nan 0.000 0.463 255 N N 0.347 119.172 118.700 0.208 0.000 2.495 255 N HA 0.540 5.280 4.740 -0.000 0.000 0.294 255 N C -1.100 174.516 175.510 0.176 0.000 1.276 255 N CA -0.805 52.324 53.050 0.130 0.000 0.973 255 N CB 0.622 39.158 38.487 0.082 0.000 1.143 255 N HN 0.536 nan 8.380 nan 0.000 0.589 256 V N 1.747 121.730 119.914 0.116 0.000 2.488 256 V HA 0.109 4.229 4.120 -0.000 0.000 0.277 256 V C 0.699 176.843 176.094 0.082 0.000 1.046 256 V CA -0.916 61.448 62.300 0.106 0.000 0.986 256 V CB -0.354 31.519 31.823 0.085 0.000 0.989 256 V HN 0.858 nan 8.190 nan 0.000 0.475 257 N N 5.031 123.774 118.700 0.071 0.000 2.416 257 N HA 0.001 4.741 4.740 -0.000 0.000 0.246 257 N C 1.260 176.793 175.510 0.039 0.000 1.260 257 N CA 0.237 53.314 53.050 0.045 0.000 0.897 257 N CB 1.776 40.278 38.487 0.024 0.000 1.110 257 N HN 0.480 nan 8.380 nan 0.000 0.439 258 V N 0.127 120.060 119.914 0.031 0.000 2.626 258 V HA -0.174 3.946 4.120 -0.000 0.000 0.252 258 V C 2.220 178.329 176.094 0.026 0.000 1.067 258 V CA 1.065 63.382 62.300 0.029 0.000 1.081 258 V CB -0.813 31.024 31.823 0.023 0.000 0.686 258 V HN 0.603 nan 8.190 nan 0.000 0.468 259 L N 0.325 121.559 121.223 0.019 0.000 2.072 259 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 259 L C 2.864 179.748 176.870 0.023 0.000 1.079 259 L CA 2.044 56.891 54.840 0.013 0.000 0.752 259 L CB -1.145 40.914 42.059 0.001 0.000 0.906 259 L HN 0.328 nan 8.230 nan 0.000 0.436 260 T N -0.541 114.032 114.554 0.031 0.000 2.720 260 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 260 T C 1.753 176.486 174.700 0.054 0.000 1.037 260 T CA 1.399 63.525 62.100 0.044 0.000 1.144 260 T CB -0.133 68.765 68.868 0.049 0.000 0.864 260 T HN 0.378 nan 8.240 nan 0.000 0.444 261 E N 0.864 121.095 120.200 0.051 0.000 2.047 261 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 261 E C 2.605 179.240 176.600 0.059 0.000 0.987 261 E CA 0.998 57.428 56.400 0.052 0.000 0.799 261 E CB -0.210 29.517 29.700 0.044 0.000 0.752 261 E HN 0.467 nan 8.360 nan 0.000 0.449 262 A N 0.897 123.751 122.820 0.056 0.000 1.902 262 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 262 A C 2.368 180.014 177.584 0.103 0.000 1.181 262 A CA 1.827 53.907 52.037 0.072 0.000 0.623 262 A CB -0.777 18.253 19.000 0.049 0.000 0.818 262 A HN 0.170 nan 8.150 nan 0.000 0.443 263 T N 0.230 114.829 114.554 0.074 0.000 2.777 263 T HA 0.025 4.375 4.350 -0.000 0.000 0.266 263 T C 2.244 177.035 174.700 0.151 0.000 1.040 263 T CA 1.484 63.635 62.100 0.085 0.000 1.141 263 T CB -0.423 68.467 68.868 0.037 0.000 0.868 263 T HN 0.580 nan 8.240 nan 0.000 0.444 264 A N 1.248 124.137 122.820 0.115 0.000 1.902 264 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 264 A C 2.242 179.894 177.584 0.113 0.000 1.181 264 A CA 1.214 53.318 52.037 0.111 0.000 0.623 264 A CB -0.875 18.174 19.000 0.082 0.000 0.818 264 A HN 0.386 nan 8.150 nan 0.000 0.443 265 L N -1.455 119.832 121.223 0.108 0.000 1.989 265 L HA -0.157 4.182 4.340 -0.000 0.000 0.211 265 L C 2.257 179.213 176.870 0.143 0.000 1.071 265 L CA 2.416 57.311 54.840 0.092 0.000 0.749 265 L CB -0.730 41.379 42.059 0.083 0.000 0.890 265 L HN 0.461 nan 8.230 nan 0.000 0.431 266 F N -0.070 119.928 119.950 0.080 0.000 2.120 266 F HA -0.292 4.235 4.527 -0.000 0.000 0.300 266 F C 2.303 178.241 175.800 0.230 0.000 1.095 266 F CA 1.794 59.894 58.000 0.165 0.000 1.249 266 F CB -0.506 38.564 39.000 0.117 0.000 0.995 266 F HN 0.188 nan 8.300 nan 0.000 0.480 267 A N 0.708 123.743 122.820 0.357 0.000 1.873 267 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 267 A C 2.239 179.883 177.584 0.099 0.000 1.193 267 A CA 2.092 54.267 52.037 0.230 0.000 0.629 267 A CB -1.332 17.777 19.000 0.182 0.000 0.826 267 A HN 0.497 nan 8.150 nan 0.000 0.447 268 L N -0.758 120.497 121.223 0.054 0.000 2.127 268 L HA -0.198 4.141 4.340 -0.000 0.000 0.211 268 L C 2.245 179.062 176.870 -0.088 0.000 1.089 268 L CA 1.559 56.390 54.840 -0.014 0.000 0.757 268 L CB -0.520 41.522 42.059 -0.027 0.000 0.899 268 L HN 0.484 nan 8.230 nan 0.000 0.434 269 E N -1.261 118.841 120.200 -0.162 0.000 2.502 269 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 269 E C -0.072 176.099 176.600 -0.716 0.000 1.062 269 E CA 0.281 56.448 56.400 -0.389 0.000 0.867 269 E CB 0.177 29.610 29.700 -0.446 0.000 0.888 269 E HN 0.592 nan 8.360 nan 0.000 0.510 270 H N -0.920 118.015 119.070 -0.224 0.000 2.624 270 H HA 0.054 4.610 4.556 -0.000 0.000 0.233 270 H C 1.158 176.435 175.328 -0.084 0.000 1.376 270 H CA -0.288 55.646 56.048 -0.190 0.000 1.137 270 H CB 0.446 30.033 29.762 -0.291 0.000 1.867 270 H HN 0.001 nan 8.280 nan 0.000 0.547 271 V N -1.997 117.905 119.914 -0.020 0.000 2.515 271 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 271 V C 2.286 178.385 176.094 0.008 0.000 1.058 271 V CA 1.699 63.999 62.300 0.000 0.000 1.064 271 V CB -0.665 31.147 31.823 -0.018 0.000 0.675 271 V HN 0.508 nan 8.190 nan 0.000 0.461 272 A N 0.605 123.425 122.820 0.001 0.000 1.883 272 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 272 A C 2.398 179.994 177.584 0.019 0.000 1.186 272 A CA 2.387 54.427 52.037 0.006 0.000 0.624 272 A CB -0.934 18.067 19.000 0.001 0.000 0.822 272 A HN 0.465 nan 8.150 nan 0.000 0.444 273 V N -0.349 119.590 119.914 0.042 0.000 2.307 273 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 273 V C 2.454 178.569 176.094 0.035 0.000 1.045 273 V CA 1.773 64.100 62.300 0.046 0.000 1.024 273 V CB -0.755 31.110 31.823 0.071 0.000 0.651 273 V HN 0.467 nan 8.190 nan 0.000 0.449 274 L N 0.031 121.282 121.223 0.047 0.000 2.131 274 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 274 L C 2.051 178.924 176.870 0.006 0.000 1.092 274 L CA 1.692 56.553 54.840 0.035 0.000 0.759 274 L CB -1.073 41.020 42.059 0.056 0.000 0.903 274 L HN 0.317 nan 8.230 nan 0.000 0.435 275 D N -0.240 120.163 120.400 0.004 0.000 2.144 275 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 275 D C 2.338 178.622 176.300 -0.027 0.000 0.978 275 D CA 1.346 55.340 54.000 -0.010 0.000 0.833 275 D CB 0.044 40.841 40.800 -0.005 0.000 0.961 275 D HN 0.481 nan 8.370 nan 0.000 0.470 276 E N 1.365 121.551 120.200 -0.023 0.000 2.031 276 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 276 E C 1.971 178.522 176.600 -0.083 0.000 0.994 276 E CA 1.207 57.585 56.400 -0.037 0.000 0.800 276 E CB -0.810 28.880 29.700 -0.015 0.000 0.752 276 E HN 0.182 nan 8.360 nan 0.000 0.447 277 Q N -0.279 119.464 119.800 -0.096 0.000 2.061 277 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 277 Q C 2.599 178.453 176.000 -0.244 0.000 0.984 277 Q CA 1.808 57.486 55.803 -0.208 0.000 0.846 277 Q CB -0.897 27.757 28.738 -0.139 0.000 0.902 277 Q HN 0.622 nan 8.270 nan 0.000 0.421 278 A N 1.261 124.001 122.820 -0.134 0.000 1.917 278 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 278 A C 2.362 179.880 177.584 -0.110 0.000 1.182 278 A CA 2.304 54.278 52.037 -0.106 0.000 0.633 278 A CB -0.751 18.217 19.000 -0.053 0.000 0.819 278 A HN 0.398 nan 8.150 nan 0.000 0.448 279 A N -1.564 121.199 122.820 -0.096 0.000 1.898 279 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 279 A C 2.423 179.949 177.584 -0.097 0.000 1.181 279 A CA 2.450 54.441 52.037 -0.077 0.000 0.620 279 A CB -1.113 17.856 19.000 -0.053 0.000 0.819 279 A HN 0.837 nan 8.150 nan 0.000 0.442 280 Q N -0.398 119.313 119.800 -0.148 0.000 2.084 280 Q HA 0.010 4.350 4.340 -0.000 0.000 0.202 280 Q C 2.220 178.108 176.000 -0.187 0.000 0.978 280 Q CA 1.659 57.362 55.803 -0.166 0.000 0.844 280 Q CB -1.021 27.577 28.738 -0.233 0.000 0.898 280 Q HN 0.745 nan 8.270 nan 0.000 0.426 281 L N -0.460 120.592 121.223 -0.284 0.000 2.093 281 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 281 L C 2.853 179.678 176.870 -0.075 0.000 1.085 281 L CA 1.728 56.464 54.840 -0.174 0.000 0.755 281 L CB -0.121 41.826 42.059 -0.187 0.000 0.904 281 L HN 0.494 nan 8.230 nan 0.000 0.435 282 R N -0.386 120.066 120.500 -0.081 0.000 2.073 282 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 282 R C 2.220 178.499 176.300 -0.035 0.000 1.134 282 R CA 1.464 57.530 56.100 -0.057 0.000 0.952 282 R CB -0.355 29.912 30.300 -0.055 0.000 0.850 282 R HN 0.499 nan 8.270 nan 0.000 0.433 283 A N 1.100 123.902 122.820 -0.030 0.000 1.877 283 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 283 A C 1.961 179.550 177.584 0.010 0.000 1.186 283 A CA 1.476 53.508 52.037 -0.009 0.000 0.620 283 A CB -0.437 18.560 19.000 -0.005 0.000 0.822 283 A HN 0.335 nan 8.150 nan 0.000 0.443 284 E N -0.445 119.769 120.200 0.024 0.000 2.077 284 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 284 E C 2.155 178.776 176.600 0.034 0.000 0.989 284 E CA 1.167 57.600 56.400 0.055 0.000 0.800 284 E CB -0.402 29.371 29.700 0.121 0.000 0.746 284 E HN 0.672 nan 8.360 nan 0.000 0.452 285 R N 0.693 121.198 120.500 0.009 0.000 2.091 285 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 285 R C 2.351 178.646 176.300 -0.009 0.000 1.136 285 R CA 1.728 57.821 56.100 -0.013 0.000 0.959 285 R CB -0.028 30.246 30.300 -0.044 0.000 0.856 285 R HN 0.008 nan 8.270 nan 0.000 0.437 286 S N 0.295 115.991 115.700 -0.006 0.000 2.356 286 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 286 S C 1.842 176.449 174.600 0.011 0.000 1.032 286 S CA 1.254 59.452 58.200 -0.002 0.000 1.005 286 S CB -0.224 62.973 63.200 -0.004 0.000 0.867 286 S HN 0.413 nan 8.310 nan 0.000 0.449 287 R N 0.471 120.984 120.500 0.021 0.000 2.081 287 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 287 R C 2.252 178.582 176.300 0.048 0.000 1.131 287 R CA 1.313 57.433 56.100 0.034 0.000 0.960 287 R CB -0.622 29.703 30.300 0.042 0.000 0.856 287 R HN 0.262 nan 8.270 nan 0.000 0.436 288 V N 0.836 120.781 119.914 0.052 0.000 2.307 288 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 288 V C 2.443 178.569 176.094 0.054 0.000 1.045 288 V CA 1.950 64.295 62.300 0.076 0.000 1.024 288 V CB -0.747 31.104 31.823 0.045 0.000 0.651 288 V HN 0.401 nan 8.190 nan 0.000 0.449 289 A N -0.083 122.750 122.820 0.022 0.000 1.877 289 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 289 A C 2.162 179.758 177.584 0.020 0.000 1.186 289 A CA 2.044 54.089 52.037 0.013 0.000 0.620 289 A CB -0.519 18.482 19.000 0.000 0.000 0.822 289 A HN 0.628 nan 8.150 nan 0.000 0.443 290 E N 0.013 120.224 120.200 0.018 0.000 2.077 290 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 290 E C 1.510 178.117 176.600 0.012 0.000 0.989 290 E CA 0.385 56.791 56.400 0.010 0.000 0.800 290 E CB -0.435 29.268 29.700 0.006 0.000 0.746 290 E HN 0.595 nan 8.360 nan 0.000 0.452 294 A N 0.412 123.186 122.820 -0.076 0.000 2.225 294 A HA 0.129 4.449 4.320 -0.000 0.000 0.215 294 A C 0.829 178.262 177.584 -0.251 0.000 1.164 294 A CA 0.716 52.641 52.037 -0.186 0.000 0.710 294 A CB -0.707 18.139 19.000 -0.258 0.000 0.780 294 A HN 0.614 nan 8.150 nan 0.000 0.473 295 H N -0.665 118.449 119.070 0.072 0.000 2.483 295 H HA 0.385 4.941 4.556 -0.000 0.000 0.338 295 H C 0.796 176.144 175.328 0.034 0.000 1.152 295 H CA -0.126 55.953 56.048 0.052 0.000 1.264 295 H CB 0.962 30.766 29.762 0.069 0.000 1.510 295 H HN 0.199 nan 8.280 nan 0.000 0.530 296 G N -0.246 108.643 108.800 0.149 0.000 2.299 296 G HA2 0.305 4.265 3.960 -0.000 0.000 0.256 296 G HA3 0.305 4.265 3.960 -0.000 0.000 0.256 296 G C 0.990 175.931 174.900 0.068 0.000 1.259 296 G CA 0.337 45.483 45.100 0.077 0.000 0.943 296 G HN 0.914 nan 8.290 nan 0.000 0.479 297 G N 0.639 109.473 108.800 0.056 0.000 2.159 297 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.256 297 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.256 297 G C 0.267 175.210 174.900 0.071 0.000 0.977 297 G CA 0.281 45.411 45.100 0.051 0.000 0.652 297 G HN 1.251 nan 8.290 nan 0.000 0.531 298 V N 1.125 121.098 119.914 0.099 0.000 2.439 298 V HA 0.675 4.795 4.120 -0.000 0.000 0.282 298 V C 0.414 176.532 176.094 0.040 0.000 1.039 298 V CA 0.017 62.396 62.300 0.132 0.000 0.913 298 V CB 1.766 33.747 31.823 0.264 0.000 0.983 298 V HN 0.251 nan 8.190 nan 0.000 0.460 299 T N 4.284 118.814 114.554 -0.040 0.000 2.791 299 T HA 0.446 4.796 4.350 -0.000 0.000 0.288 299 T C -0.342 174.140 174.700 -0.363 0.000 0.999 299 T CA -0.316 61.626 62.100 -0.263 0.000 0.952 299 T CB 1.334 69.930 68.868 -0.454 0.000 0.938 299 T HN 0.345 nan 8.240 nan 0.000 0.444 300 V N 5.095 124.857 119.914 -0.255 0.000 2.364 300 V HA 0.415 4.535 4.120 -0.000 0.000 0.272 300 V C -0.242 175.731 176.094 -0.202 0.000 1.036 300 V CA -0.771 61.446 62.300 -0.139 0.000 0.880 300 V CB -0.103 31.703 31.823 -0.028 0.000 0.991 300 V HN 0.728 nan 8.190 nan 0.000 0.460 301 F N 5.662 125.685 119.950 0.122 0.000 2.389 301 F HA 0.443 4.970 4.527 -0.000 0.000 0.337 301 F C -1.568 174.278 175.800 0.077 0.000 1.112 301 F CA -2.401 55.683 58.000 0.141 0.000 1.192 301 F CB 0.069 39.229 39.000 0.266 0.000 1.185 301 F HN 0.325 nan 8.300 nan 0.000 0.552 302 P HA 0.073 nan 4.420 nan 0.000 0.265 302 P C -0.841 176.488 177.300 0.049 0.000 1.193 302 P CA 0.011 63.176 63.100 0.108 0.000 0.765 302 P CB 0.856 32.618 31.700 0.104 0.000 0.823 303 S N 1.380 117.058 115.700 -0.037 0.000 2.548 303 S HA 0.638 5.108 4.470 -0.000 0.000 0.276 303 S C -0.031 174.460 174.600 -0.182 0.000 1.129 303 S CA -0.330 57.780 58.200 -0.149 0.000 0.931 303 S CB 0.984 64.062 63.200 -0.203 0.000 1.068 303 S HN 0.351 nan 8.310 nan 0.000 0.480 304 A N 2.828 125.498 122.820 -0.249 0.000 2.503 304 A HA 0.779 5.099 4.320 -0.000 0.000 0.263 304 A C 0.673 178.092 177.584 -0.275 0.000 1.258 304 A CA 0.327 52.227 52.037 -0.229 0.000 0.936 304 A CB -0.276 18.583 19.000 -0.235 0.000 1.070 304 A HN 1.071 nan 8.150 nan 0.000 0.522 305 A N 0.467 123.030 122.820 -0.429 0.000 2.352 305 A HA 0.541 4.861 4.320 -0.000 0.000 0.299 305 A C 0.681 178.019 177.584 -0.410 0.000 1.160 305 A CA -0.102 51.622 52.037 -0.522 0.000 0.933 305 A CB 0.326 18.620 19.000 -1.177 0.000 1.387 305 A HN 0.363 nan 8.150 nan 0.000 0.487 306 N N -0.616 117.946 118.700 -0.231 0.000 2.421 306 N HA 0.190 4.930 4.740 -0.000 0.000 0.201 306 N C -0.528 175.006 175.510 0.040 0.000 1.198 306 N CA 0.149 53.176 53.050 -0.039 0.000 0.838 306 N CB -0.666 37.872 38.487 0.085 0.000 1.011 306 N HN 0.510 nan 8.380 nan 0.000 0.463 307 F N -2.348 117.570 119.950 -0.054 0.000 2.643 307 F HA 0.723 5.250 4.527 -0.000 0.000 0.314 307 F C -1.452 174.301 175.800 -0.079 0.000 1.096 307 F CA -1.581 56.369 58.000 -0.083 0.000 0.953 307 F CB 1.157 40.096 39.000 -0.101 0.000 1.345 307 F HN -0.256 nan 8.300 nan 0.000 0.468 308 L N 2.494 123.813 121.223 0.159 0.000 2.408 308 L HA 0.581 4.920 4.340 -0.000 0.000 0.268 308 L C -1.390 175.588 176.870 0.179 0.000 0.986 308 L CA -0.993 53.905 54.840 0.097 0.000 0.820 308 L CB 2.140 44.206 42.059 0.011 0.000 1.303 308 L HN 0.717 nan 8.230 nan 0.000 0.411 309 L N 3.039 124.397 121.223 0.224 0.000 2.309 309 L HA 0.878 5.218 4.340 -0.000 0.000 0.282 309 L C -0.381 176.721 176.870 0.386 0.000 1.036 309 L CA 0.083 55.069 54.840 0.244 0.000 0.806 309 L CB 1.521 43.678 42.059 0.163 0.000 1.220 309 L HN 0.708 nan 8.230 nan 0.000 0.429 310 A N 5.164 128.195 122.820 0.351 0.000 2.398 310 A HA 0.680 4.999 4.320 -0.000 0.000 0.301 310 A C -0.934 176.889 177.584 0.398 0.000 1.041 310 A CA -0.759 51.479 52.037 0.334 0.000 0.711 310 A CB 1.114 20.235 19.000 0.201 0.000 1.240 310 A HN 0.732 nan 8.150 nan 0.000 0.420 311 R N 1.393 122.143 120.500 0.417 0.000 2.297 311 R HA 0.613 4.953 4.340 -0.000 0.000 0.308 311 R C -0.359 176.087 176.300 0.243 0.000 1.029 311 R CA -0.202 56.120 56.100 0.369 0.000 0.929 311 R CB 0.914 31.475 30.300 0.436 0.000 1.046 311 R HN 0.919 nan 8.270 nan 0.000 0.461 312 V N 1.996 122.043 119.914 0.222 0.000 3.113 312 V HA 0.569 4.689 4.120 -0.000 0.000 0.316 312 V C -2.277 173.883 176.094 0.110 0.000 1.125 312 V CA -2.177 60.224 62.300 0.168 0.000 1.026 312 V CB 1.945 33.877 31.823 0.183 0.000 1.080 312 V HN 0.651 nan 8.190 nan 0.000 0.444 313 P HA -0.046 nan 4.420 nan 0.000 0.216 313 P C 0.003 177.332 177.300 0.048 0.000 1.153 313 P CA 1.764 64.892 63.100 0.046 0.000 0.858 313 P CB 0.155 31.864 31.700 0.016 0.000 0.789 314 D N -2.373 118.054 120.400 0.044 0.000 2.330 314 D HA 0.323 4.963 4.640 -0.000 0.000 0.249 314 D C 0.668 177.010 176.300 0.069 0.000 1.306 314 D CA -0.434 53.594 54.000 0.047 0.000 0.956 314 D CB 0.988 41.803 40.800 0.025 0.000 1.261 314 D HN -0.151 nan 8.370 nan 0.000 0.544 315 A N 2.930 125.808 122.820 0.096 0.000 1.902 315 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 315 A C 2.135 179.805 177.584 0.144 0.000 1.181 315 A CA 1.970 54.087 52.037 0.133 0.000 0.623 315 A CB -0.391 18.686 19.000 0.128 0.000 0.818 315 A HN 0.575 nan 8.150 nan 0.000 0.443 316 A N -0.896 121.979 122.820 0.093 0.000 1.883 316 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 316 A C 2.236 179.906 177.584 0.142 0.000 1.186 316 A CA 1.936 54.026 52.037 0.089 0.000 0.624 316 A CB -0.632 18.390 19.000 0.036 0.000 0.822 316 A HN 0.671 nan 8.150 nan 0.000 0.444 317 Q N -1.029 118.827 119.800 0.094 0.000 2.046 317 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 317 Q C 2.109 178.150 176.000 0.068 0.000 0.975 317 Q CA 2.057 57.900 55.803 0.067 0.000 0.836 317 Q CB -0.269 28.486 28.738 0.028 0.000 0.896 317 Q HN 0.616 nan 8.270 nan 0.000 0.428 318 T N 0.884 115.479 114.554 0.068 0.000 2.720 318 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 318 T C 1.314 176.081 174.700 0.111 0.000 1.037 318 T CA 1.370 63.495 62.100 0.041 0.000 1.144 318 T CB -0.498 68.389 68.868 0.033 0.000 0.864 318 T HN 0.364 nan 8.240 nan 0.000 0.444 319 F N 2.513 122.498 119.950 0.057 0.000 2.065 319 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 319 F C 2.001 177.827 175.800 0.044 0.000 1.112 319 F CA 1.641 59.682 58.000 0.068 0.000 1.212 319 F CB -0.313 38.721 39.000 0.056 0.000 0.975 319 F HN 0.057 nan 8.300 nan 0.000 0.476 320 D N 0.047 120.551 120.400 0.174 0.000 2.117 320 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 320 D C 2.413 178.681 176.300 -0.053 0.000 0.987 320 D CA 1.256 55.291 54.000 0.058 0.000 0.829 320 D CB -0.385 40.497 40.800 0.136 0.000 0.961 320 D HN 0.368 nan 8.370 nan 0.000 0.460 321 R N 0.143 120.621 120.500 -0.036 0.000 2.096 321 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 321 R C 2.551 178.796 176.300 -0.091 0.000 1.127 321 R CA 0.500 56.562 56.100 -0.063 0.000 0.968 321 R CB -0.244 30.015 30.300 -0.068 0.000 0.861 321 R HN 0.213 nan 8.270 nan 0.000 0.440 322 L N 0.142 121.301 121.223 -0.108 0.000 2.027 322 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 322 L C 2.309 179.092 176.870 -0.145 0.000 1.074 322 L CA 0.694 55.474 54.840 -0.100 0.000 0.745 322 L CB -0.359 41.677 42.059 -0.038 0.000 0.898 322 L HN 0.171 nan 8.230 nan 0.000 0.433 323 L N 0.197 121.258 121.223 -0.269 0.000 2.131 323 L HA -0.118 4.221 4.340 -0.000 0.000 0.210 323 L C 2.557 179.349 176.870 -0.130 0.000 1.092 323 L CA 1.844 56.532 54.840 -0.254 0.000 0.759 323 L CB -0.731 41.088 42.059 -0.399 0.000 0.903 323 L HN 0.158 nan 8.230 nan 0.000 0.435 324 A N -0.717 122.042 122.820 -0.102 0.000 2.070 324 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 324 A C 2.124 179.676 177.584 -0.053 0.000 1.159 324 A CA 1.323 53.323 52.037 -0.061 0.000 0.656 324 A CB -0.492 18.479 19.000 -0.048 0.000 0.800 324 A HN 0.520 nan 8.150 nan 0.000 0.453 325 R N -0.752 119.712 120.500 -0.061 0.000 2.466 325 R HA 0.175 4.515 4.340 -0.000 0.000 0.279 325 R C -0.376 175.902 176.300 -0.037 0.000 0.976 325 R CA -0.084 55.988 56.100 -0.046 0.000 1.081 325 R CB 0.080 30.350 30.300 -0.050 0.000 1.215 325 R HN 0.411 nan 8.270 nan 0.000 0.546 326 K N -0.037 120.336 120.400 -0.045 0.000 3.071 326 K HA -0.139 4.181 4.320 -0.000 0.000 0.265 326 K C -0.898 175.687 176.600 -0.026 0.000 1.060 326 K CA 0.517 56.782 56.287 -0.037 0.000 0.767 326 K CB -1.693 30.794 32.500 -0.023 0.000 1.241 326 K HN 0.026 nan 8.250 nan 0.000 0.486 327 V N 1.425 121.318 119.914 -0.035 0.000 2.443 327 V HA 0.364 4.484 4.120 -0.000 0.000 0.293 327 V C -0.410 175.654 176.094 -0.049 0.000 1.021 327 V CA -0.894 61.412 62.300 0.011 0.000 0.848 327 V CB 1.623 33.505 31.823 0.098 0.000 0.998 327 V HN 0.237 nan 8.190 nan 0.000 0.424 328 L N 7.689 128.887 121.223 -0.042 0.000 2.280 328 L HA 0.726 5.066 4.340 -0.000 0.000 0.287 328 L C -0.236 176.630 176.870 -0.007 0.000 1.023 328 L CA 0.200 54.993 54.840 -0.079 0.000 0.819 328 L CB 0.951 42.981 42.059 -0.047 0.000 1.212 328 L HN 0.704 nan 8.230 nan 0.000 0.420 329 I N 0.833 121.426 120.570 0.038 0.000 3.436 329 I HA 0.680 4.850 4.170 -0.000 0.000 0.296 329 I C -0.808 175.441 176.117 0.220 0.000 1.143 329 I CA -1.292 60.066 61.300 0.096 0.000 1.009 329 I CB 1.533 39.607 38.000 0.123 0.000 1.301 329 I HN 0.465 nan 8.210 nan 0.000 0.503 330 K N 2.150 122.636 120.400 0.145 0.000 2.265 330 K HA 0.308 4.628 4.320 -0.000 0.000 0.267 330 K C -0.846 175.822 176.600 0.114 0.000 0.994 330 K CA -0.309 56.043 56.287 0.109 0.000 0.860 330 K CB 0.727 33.222 32.500 -0.008 0.000 1.099 330 K HN 0.612 nan 8.250 nan 0.000 0.448 331 N N 4.103 122.831 118.700 0.045 0.000 2.469 331 N HA 0.046 4.786 4.740 -0.000 0.000 0.239 331 N C 0.092 175.566 175.510 -0.061 0.000 1.053 331 N CA -0.466 52.568 53.050 -0.028 0.000 0.937 331 N CB 1.007 39.350 38.487 -0.241 0.000 1.163 331 N HN 0.438 nan 8.380 nan 0.000 0.509 332 V N 1.169 121.069 119.914 -0.024 0.000 3.577 332 V HA 0.171 4.291 4.120 -0.000 0.000 0.294 332 V C 1.420 177.505 176.094 -0.014 0.000 1.317 332 V CA 0.150 62.426 62.300 -0.040 0.000 1.169 332 V CB -0.455 31.327 31.823 -0.068 0.000 1.011 332 V HN 0.398 nan 8.190 nan 0.000 0.426 333 S N 0.821 116.519 115.700 -0.002 0.000 2.370 333 S HA 0.001 4.471 4.470 -0.000 0.000 0.226 333 S C 1.494 176.102 174.600 0.013 0.000 1.033 333 S CA 1.897 60.111 58.200 0.023 0.000 1.011 333 S CB -0.414 62.801 63.200 0.024 0.000 0.852 333 S HN 0.987 nan 8.310 nan 0.000 0.457 337 P HA -0.108 nan 4.420 nan 0.000 0.217 337 P C 1.700 179.080 177.300 0.134 0.000 1.151 337 P CA 1.240 64.292 63.100 -0.079 0.000 0.849 337 P CB 0.239 31.828 31.700 -0.185 0.000 0.787 338 L N -1.945 119.506 121.223 0.380 0.000 2.376 338 L HA -0.062 4.278 4.340 -0.000 0.000 0.219 338 L C 1.826 178.927 176.870 0.384 0.000 1.133 338 L CA 0.668 55.729 54.840 0.369 0.000 0.816 338 L CB -0.558 41.768 42.059 0.445 0.000 0.933 338 L HN -0.007 nan 8.230 nan 0.000 0.449 339 L N 0.077 121.478 121.223 0.297 0.000 2.629 339 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 339 L C 1.215 178.182 176.870 0.162 0.000 1.151 339 L CA -0.645 54.312 54.840 0.194 0.000 0.924 339 L CB -0.317 41.789 42.059 0.078 0.000 1.137 339 L HN 0.081 nan 8.230 nan 0.000 0.457 340 A N 0.803 123.715 122.820 0.154 0.000 2.580 340 A HA -0.033 4.287 4.320 -0.000 0.000 0.244 340 A C 0.942 178.610 177.584 0.140 0.000 1.045 340 A CA 0.222 52.329 52.037 0.116 0.000 0.761 340 A CB -0.231 18.826 19.000 0.095 0.000 0.962 340 A HN 0.637 nan 8.150 nan 0.000 0.512 341 N N -0.453 118.318 118.700 0.117 0.000 2.747 341 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 341 N C -0.633 174.988 175.510 0.184 0.000 1.107 341 N CA 1.211 54.342 53.050 0.135 0.000 0.707 341 N CB -1.891 36.672 38.487 0.127 0.000 1.054 341 N HN 0.685 nan 8.380 nan 0.000 0.555 342 C N 0.862 120.269 119.300 0.179 0.000 2.376 342 C HA 0.736 5.196 4.460 -0.000 0.000 0.335 342 C C 0.814 175.901 174.990 0.161 0.000 1.229 342 C CA -0.742 58.402 59.018 0.210 0.000 1.867 342 C CB 1.238 29.095 27.740 0.195 0.000 2.319 342 C HN 0.225 nan 8.230 nan 0.000 0.515 343 L N 2.594 123.934 121.223 0.195 0.000 2.354 343 L HA 0.668 5.008 4.340 -0.000 0.000 0.269 343 L C -0.008 176.936 176.870 0.123 0.000 1.005 343 L CA -0.605 54.340 54.840 0.175 0.000 0.819 343 L CB 1.353 43.570 42.059 0.263 0.000 1.311 343 L HN 0.589 nan 8.230 nan 0.000 0.423 344 R N 1.700 122.235 120.500 0.058 0.000 2.360 344 R HA 0.637 4.977 4.340 -0.000 0.000 0.318 344 R C -1.697 174.584 176.300 -0.031 0.000 0.950 344 R CA -0.479 55.622 56.100 0.002 0.000 0.837 344 R CB 1.719 31.951 30.300 -0.114 0.000 1.165 344 R HN 0.435 nan 8.270 nan 0.000 0.458 345 V N 3.604 123.482 119.914 -0.059 0.000 2.435 345 V HA 0.303 4.423 4.120 -0.000 0.000 0.290 345 V C 0.132 176.148 176.094 -0.130 0.000 1.030 345 V CA -0.607 61.560 62.300 -0.222 0.000 0.881 345 V CB 1.912 33.419 31.823 -0.527 0.000 0.983 345 V HN 0.751 nan 8.190 nan 0.000 0.445 346 T N 4.389 118.862 114.554 -0.134 0.000 2.780 346 T HA 0.365 4.714 4.350 -0.000 0.000 0.294 346 T C 0.044 174.696 174.700 -0.081 0.000 0.949 346 T CA -0.233 61.848 62.100 -0.031 0.000 1.074 346 T CB 1.242 70.098 68.868 -0.020 0.000 0.910 346 T HN 0.386 nan 8.240 nan 0.000 0.501 347 V N 3.815 123.721 119.914 -0.013 0.000 2.521 347 V HA 0.343 4.463 4.120 -0.000 0.000 0.286 347 V C 0.694 176.818 176.094 0.051 0.000 1.034 347 V CA 0.090 62.387 62.300 -0.005 0.000 1.045 347 V CB 1.155 32.993 31.823 0.025 0.000 0.974 347 V HN 0.975 nan 8.190 nan 0.000 0.480 348 S N 3.040 118.754 115.700 0.023 0.000 2.993 348 S HA 0.575 5.045 4.470 -0.000 0.000 0.281 348 S C 0.381 174.933 174.600 -0.080 0.000 1.033 348 S CA 0.121 58.308 58.200 -0.022 0.000 0.950 348 S CB 1.675 64.833 63.200 -0.070 0.000 1.349 348 S HN 0.973 nan 8.310 nan 0.000 0.652 349 T N 0.818 115.204 114.554 -0.279 0.000 2.860 349 T HA 0.331 4.681 4.350 -0.000 0.000 0.299 349 T C -2.050 172.599 174.700 -0.084 0.000 1.045 349 T CA -0.898 60.986 62.100 -0.360 0.000 1.071 349 T CB 0.252 68.910 68.868 -0.350 0.000 0.985 349 T HN 0.315 nan 8.240 nan 0.000 0.537 350 P HA -0.080 nan 4.420 nan 0.000 0.216 350 P C 1.865 179.178 177.300 0.022 0.000 1.154 350 P CA 2.158 65.280 63.100 0.038 0.000 0.865 350 P CB -0.312 31.420 31.700 0.052 0.000 0.789 351 E N 0.591 120.788 120.200 -0.005 0.000 2.031 351 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 351 E C 1.925 178.533 176.600 0.013 0.000 0.994 351 E CA 1.655 58.056 56.400 0.001 0.000 0.800 351 E CB -1.600 28.092 29.700 -0.014 0.000 0.752 351 E HN 0.452 nan 8.360 nan 0.000 0.447 352 E N 0.355 120.553 120.200 -0.004 0.000 2.110 352 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 352 E C 2.199 178.845 176.600 0.076 0.000 0.988 352 E CA 0.941 57.352 56.400 0.019 0.000 0.804 352 E CB -0.076 29.613 29.700 -0.019 0.000 0.745 352 E HN 0.391 nan 8.360 nan 0.000 0.458 353 N N 0.955 119.697 118.700 0.070 0.000 2.166 353 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 353 N C 1.700 177.313 175.510 0.171 0.000 1.019 353 N CA 1.272 54.401 53.050 0.130 0.000 0.856 353 N CB -0.343 38.199 38.487 0.092 0.000 0.993 353 N HN 0.132 nan 8.380 nan 0.000 0.426 354 A N 1.164 124.047 122.820 0.105 0.000 1.898 354 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 354 A C 2.177 179.808 177.584 0.078 0.000 1.181 354 A CA 1.228 53.315 52.037 0.084 0.000 0.620 354 A CB -0.535 18.497 19.000 0.053 0.000 0.819 354 A HN 0.325 nan 8.150 nan 0.000 0.442 355 Q N -1.678 118.171 119.800 0.081 0.000 2.050 355 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 355 Q C 1.939 177.993 176.000 0.090 0.000 0.980 355 Q CA 1.634 57.477 55.803 0.067 0.000 0.840 355 Q CB -0.363 28.410 28.738 0.059 0.000 0.898 355 Q HN 0.748 nan 8.270 nan 0.000 0.424 356 F N 1.440 121.404 119.950 0.023 0.000 2.069 356 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 356 F C 1.772 177.627 175.800 0.092 0.000 1.113 356 F CA 1.388 59.411 58.000 0.040 0.000 1.214 356 F CB -0.288 38.717 39.000 0.009 0.000 0.978 356 F HN -0.034 nan 8.300 nan 0.000 0.474 357 L N 0.141 121.310 121.223 -0.089 0.000 2.042 357 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 357 L C 2.612 179.440 176.870 -0.071 0.000 1.076 357 L CA 2.051 56.825 54.840 -0.110 0.000 0.749 357 L CB -0.842 41.271 42.059 0.089 0.000 0.893 357 L HN 0.315 nan 8.230 nan 0.000 0.432 358 E N 0.056 120.231 120.200 -0.041 0.000 2.047 358 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 358 E C 2.220 178.769 176.600 -0.085 0.000 0.987 358 E CA 1.120 57.500 56.400 -0.033 0.000 0.799 358 E CB 0.022 29.715 29.700 -0.012 0.000 0.752 358 E HN 0.460 nan 8.360 nan 0.000 0.449 359 A N 0.511 123.263 122.820 -0.113 0.000 1.930 359 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 359 A C 1.959 179.427 177.584 -0.193 0.000 1.175 359 A CA 1.114 53.076 52.037 -0.126 0.000 0.627 359 A CB -0.791 18.161 19.000 -0.080 0.000 0.815 359 A HN 0.469 nan 8.150 nan 0.000 0.443 360 F N 0.980 120.630 119.950 -0.499 0.000 2.102 360 F HA -0.058 4.469 4.527 0.000 0.000 0.298 360 F C 2.566 178.111 175.800 -0.423 0.000 1.105 360 F CA 1.246 58.919 58.000 -0.544 0.000 1.239 360 F CB -0.503 37.925 39.000 -0.954 0.000 0.991 360 F HN 0.247 nan 8.300 nan 0.000 0.474 361 A N 0.318 122.947 122.820 -0.320 0.000 1.908 361 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 361 A C 2.377 179.744 177.584 -0.362 0.000 1.181 361 A CA 2.087 53.853 52.037 -0.452 0.000 0.627 361 A CB -1.585 17.397 19.000 -0.029 0.000 0.818 361 A HN 0.522 nan 8.150 nan 0.000 0.445 362 A N -0.889 121.787 122.820 -0.239 0.000 1.897 362 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 362 A C 2.398 179.856 177.584 -0.210 0.000 1.181 362 A CA 1.795 53.726 52.037 -0.177 0.000 0.620 362 A CB -0.777 18.154 19.000 -0.116 0.000 0.821 362 A HN 0.446 nan 8.150 nan 0.000 0.443 363 S N 0.086 115.627 115.700 -0.265 0.000 2.399 363 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 363 S C 1.649 176.070 174.600 -0.298 0.000 1.022 363 S CA 1.321 59.369 58.200 -0.254 0.000 0.983 363 S CB -0.410 62.639 63.200 -0.253 0.000 0.803 363 S HN 0.514 nan 8.310 nan 0.000 0.480 364 L N 1.033 121.990 121.223 -0.444 0.000 2.376 364 L HA 0.000 4.340 4.340 -0.000 0.000 0.219 364 L C 0.530 177.264 176.870 -0.227 0.000 1.133 364 L CA 0.448 55.052 54.840 -0.394 0.000 0.816 364 L CB -0.280 41.433 42.059 -0.576 0.000 0.933 364 L HN 0.237 nan 8.230 nan 0.000 0.449 365 Q N 1.200 120.887 119.800 -0.189 0.000 2.296 365 Q HA 0.169 4.508 4.340 -0.000 0.000 0.262 365 Q C -0.642 175.306 176.000 -0.087 0.000 0.981 365 Q CA 0.381 56.117 55.803 -0.113 0.000 0.905 365 Q CB 1.215 29.898 28.738 -0.091 0.000 1.186 365 Q HN 0.133 nan 8.270 nan 0.000 0.399 366 D N 0.000 120.362 120.400 -0.063 0.000 6.856 366 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 366 D CA 0.000 53.972 54.000 -0.046 0.000 0.868 366 D CB 0.000 40.778 40.800 -0.037 0.000 0.688 366 D HN 0.000 nan 8.370 nan 0.000 0.683