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 2jjg_1_A DATA FIRST_RESID 15 DATA SEQUENCE TTPDRVHEVL GRSMLVDGLD IVLDLTRSGG SYLVDAITGR RYLDMFTFVA DATA SEQUENCE SSALGMNPPA LVDDREFHAE LMQAALNKPS NSDVYSVAMA RFVETFARVL DATA SEQUENCE GDPALPHLFF VEGGALAVEN ALKAAFDWKS RHNQAHGIDP ALGTQVLHLR DATA SEQUENCE GAFHGRSGYT LSLTNTKPTI TARFPKFDWP RIDAPYMRPG LDEPAMAALE DATA SEQUENCE AEALRQARAA FETRPHDIAC FVAEPIQGEG GDRHFRPEFF AAMRELCDEF DATA SEQUENCE DALLIFDEVQ TGCGLTGTAW AYQQLDVAPD IVAFGKKTQV CGVMAGRRVD DATA SEQUENCE EVADNVFAVP SRLNSTWGGN LTDMVRARRI LEVIEAEGLF ERAVQHGKYL DATA SEQUENCE RARLDELAAD FPAVVLDPRG RGLMCAFSLP TTADRDELIR QLWQRAVIVL DATA SEQUENCE PAGADTVRFR PPLTVSTAEI DAAIAAVRSA LPVVT 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.709 174.700 0.015 0.000 1.109 15 T CA 0.000 62.107 62.100 0.011 0.000 1.349 15 T CB 0.000 68.872 68.868 0.007 0.000 0.612 16 T N 2.046 116.613 114.554 0.022 0.000 2.918 16 T HA 0.560 4.912 4.350 0.002 0.000 0.286 16 T C -1.685 173.038 174.700 0.038 0.000 1.026 16 T CA -2.293 59.823 62.100 0.027 0.000 1.031 16 T CB 1.042 69.925 68.868 0.025 0.000 1.046 16 T HN 0.163 nan 8.240 nan 0.000 0.479 17 P HA -0.145 nan 4.420 nan 0.000 0.216 17 P C 1.117 178.467 177.300 0.082 0.000 1.154 17 P CA 1.231 64.368 63.100 0.062 0.000 0.865 17 P CB 0.036 31.772 31.700 0.060 0.000 0.789 18 D N -1.191 119.248 120.400 0.064 0.000 2.348 18 D HA -0.139 4.502 4.640 0.002 0.000 0.216 18 D C 1.507 177.848 176.300 0.069 0.000 0.970 18 D CA 0.725 54.763 54.000 0.063 0.000 0.889 18 D CB -0.369 40.456 40.800 0.041 0.000 0.912 18 D HN 0.226 nan 8.370 nan 0.000 0.524 19 R N -0.011 120.529 120.500 0.066 0.000 2.397 19 R HA 0.194 4.535 4.340 0.002 0.000 0.241 19 R C 1.975 178.316 176.300 0.069 0.000 0.914 19 R CA -0.173 55.964 56.100 0.061 0.000 1.071 19 R CB 0.658 30.981 30.300 0.038 0.000 1.116 19 R HN -0.016 nan 8.270 nan 0.000 0.524 20 V N 0.547 120.513 119.914 0.087 0.000 2.255 20 V HA -0.303 3.818 4.120 0.002 0.000 0.247 20 V C 2.050 178.151 176.094 0.012 0.000 1.051 20 V CA 1.782 64.105 62.300 0.039 0.000 1.018 20 V CB -0.480 31.357 31.823 0.024 0.000 0.641 20 V HN 0.464 nan 8.190 nan 0.000 0.445 21 H N -0.603 118.473 119.070 0.009 0.000 2.387 21 H HA -0.157 4.401 4.556 0.002 0.000 0.299 21 H C 2.410 177.740 175.328 0.004 0.000 1.090 21 H CA 1.686 57.737 56.048 0.005 0.000 1.332 21 H CB 0.156 29.921 29.762 0.005 0.000 1.386 21 H HN 0.565 nan 8.280 nan 0.000 0.516 22 E N 0.999 121.275 120.200 0.127 0.000 2.038 22 E HA -0.136 4.215 4.350 0.002 0.000 0.195 22 E C 2.374 178.997 176.600 0.037 0.000 1.000 22 E CA 1.283 57.723 56.400 0.067 0.000 0.803 22 E CB 0.159 29.891 29.700 0.053 0.000 0.750 22 E HN 0.105 nan 8.360 nan 0.000 0.448 23 V N 1.616 121.545 119.914 0.026 0.000 2.255 23 V HA -0.290 3.831 4.120 0.002 0.000 0.247 23 V C 2.594 178.686 176.094 -0.003 0.000 1.051 23 V CA 1.726 64.031 62.300 0.009 0.000 1.018 23 V CB -0.527 31.298 31.823 0.003 0.000 0.641 23 V HN 0.350 nan 8.190 nan 0.000 0.445 24 L N 0.365 121.576 121.223 -0.019 0.000 2.079 24 L HA -0.128 4.213 4.340 0.002 0.000 0.210 24 L C 2.622 179.482 176.870 -0.016 0.000 1.081 24 L CA 1.757 56.576 54.840 -0.034 0.000 0.752 24 L CB -1.183 40.827 42.059 -0.081 0.000 0.896 24 L HN 0.506 nan 8.230 nan 0.000 0.433 25 G N -0.229 108.572 108.800 0.001 0.000 2.448 25 G HA2 -0.221 3.740 3.960 0.002 0.000 0.219 25 G HA3 -0.221 3.740 3.960 0.002 0.000 0.219 25 G C 1.676 176.581 174.900 0.009 0.000 1.127 25 G CA 0.238 45.346 45.100 0.013 0.000 0.766 25 G HN 0.335 nan 8.290 nan 0.000 0.552 26 R N 0.223 120.727 120.500 0.008 0.000 2.193 26 R HA 0.028 4.369 4.340 0.002 0.000 0.229 26 R C 2.076 178.377 176.300 0.003 0.000 1.110 26 R CA 1.361 57.465 56.100 0.006 0.000 0.988 26 R CB -0.053 30.250 30.300 0.006 0.000 0.871 26 R HN 0.326 nan 8.270 nan 0.000 0.458 27 S N -0.469 115.231 115.700 -0.000 0.000 2.575 27 S HA 0.224 4.696 4.470 0.002 0.000 0.230 27 S C 0.611 175.210 174.600 -0.002 0.000 1.062 27 S CA -0.127 58.072 58.200 -0.002 0.000 0.913 27 S CB 0.605 63.802 63.200 -0.005 0.000 0.837 27 S HN 0.193 nan 8.310 nan 0.000 0.487 28 M N 0.040 119.638 119.600 -0.004 0.000 2.667 28 M HA 0.640 5.121 4.480 0.002 0.000 0.286 28 M C -1.546 174.753 176.300 -0.001 0.000 1.270 28 M CA -0.965 54.333 55.300 -0.004 0.000 0.826 28 M CB 1.108 33.702 32.600 -0.010 0.000 1.743 28 M HN -0.070 nan 8.290 nan 0.000 0.460 29 L N 1.791 123.015 121.223 0.001 0.000 2.410 29 L HA 0.307 4.648 4.340 0.002 0.000 0.273 29 L C -0.801 176.067 176.870 -0.002 0.000 1.144 29 L CA 0.236 55.078 54.840 0.003 0.000 0.863 29 L CB 1.062 43.125 42.059 0.007 0.000 1.140 29 L HN 0.561 nan 8.230 nan 0.000 0.463 30 V N 5.817 125.734 119.914 0.004 0.000 2.192 30 V HA 0.218 4.339 4.120 0.002 0.000 0.264 30 V C 0.095 176.198 176.094 0.015 0.000 1.155 30 V CA -0.277 62.027 62.300 0.007 0.000 1.005 30 V CB 0.296 32.138 31.823 0.032 0.000 1.201 30 V HN 0.894 nan 8.190 nan 0.000 0.468 31 D N 1.626 122.022 120.400 -0.006 0.000 2.462 31 D HA 0.161 4.802 4.640 0.002 0.000 0.221 31 D C 0.854 177.125 176.300 -0.048 0.000 1.173 31 D CA 0.003 53.990 54.000 -0.023 0.000 0.831 31 D CB 1.008 41.794 40.800 -0.024 0.000 1.001 31 D HN 0.408 nan 8.370 nan 0.000 0.499 32 G N 0.645 109.423 108.800 -0.036 0.000 2.494 32 G HA2 0.445 4.407 3.960 0.002 0.000 0.270 32 G HA3 0.445 4.407 3.960 0.002 0.000 0.270 32 G C 0.212 175.049 174.900 -0.106 0.000 1.423 32 G CA -0.762 44.300 45.100 -0.063 0.000 1.055 32 G HN 0.167 nan 8.290 nan 0.000 0.536 33 L N -0.094 121.044 121.223 -0.141 0.000 2.467 33 L HA 0.104 4.445 4.340 0.002 0.000 0.270 33 L C 0.975 177.819 176.870 -0.043 0.000 1.205 33 L CA -0.495 54.193 54.840 -0.255 0.000 0.828 33 L CB 0.516 42.415 42.059 -0.267 0.000 1.101 33 L HN 0.402 nan 8.230 nan 0.000 0.479 34 D N 1.052 121.393 120.400 -0.098 0.000 2.348 34 D HA 0.028 4.669 4.640 0.002 0.000 0.216 34 D C 0.589 176.964 176.300 0.125 0.000 0.970 34 D CA 0.609 54.623 54.000 0.023 0.000 0.889 34 D CB -0.117 40.731 40.800 0.081 0.000 0.912 34 D HN 0.432 nan 8.370 nan 0.000 0.524 35 I N -2.068 118.622 120.570 0.200 0.000 2.834 35 I HA 0.289 4.460 4.170 0.002 0.000 0.305 35 I C -0.086 176.161 176.117 0.216 0.000 1.008 35 I CA -0.870 60.527 61.300 0.161 0.000 1.273 35 I CB 1.295 39.312 38.000 0.027 0.000 1.432 35 I HN -0.423 nan 8.210 nan 0.000 0.557 36 V N 5.494 125.513 119.914 0.175 0.000 2.384 36 V HA 0.273 4.394 4.120 0.002 0.000 0.287 36 V C 0.197 176.361 176.094 0.116 0.000 1.020 36 V CA -0.685 61.705 62.300 0.149 0.000 0.850 36 V CB 1.335 33.244 31.823 0.143 0.000 0.987 36 V HN 0.603 nan 8.190 nan 0.000 0.436 37 L N 4.332 125.623 121.223 0.114 0.000 2.534 37 L HA 0.162 4.503 4.340 0.002 0.000 0.271 37 L C 0.383 177.317 176.870 0.107 0.000 1.178 37 L CA 0.320 55.239 54.840 0.132 0.000 0.907 37 L CB 0.545 42.700 42.059 0.161 0.000 1.164 37 L HN 0.695 nan 8.230 nan 0.000 0.482 38 D N 5.148 125.616 120.400 0.113 0.000 2.336 38 D HA 0.082 4.723 4.640 0.002 0.000 0.249 38 D C 1.024 177.384 176.300 0.099 0.000 1.213 38 D CA -0.145 53.911 54.000 0.093 0.000 0.870 38 D CB 1.240 42.094 40.800 0.090 0.000 1.076 38 D HN 0.541 nan 8.370 nan 0.000 0.483 39 L N 2.584 123.853 121.223 0.077 0.000 2.217 39 L HA -0.092 4.249 4.340 0.002 0.000 0.211 39 L C 2.108 179.020 176.870 0.071 0.000 1.107 39 L CA 0.785 55.670 54.840 0.075 0.000 0.783 39 L CB 0.015 42.100 42.059 0.043 0.000 0.919 39 L HN 0.373 nan 8.230 nan 0.000 0.442 40 T N -1.319 113.270 114.554 0.058 0.000 3.010 40 T HA 0.019 4.370 4.350 0.002 0.000 0.252 40 T C 1.957 176.693 174.700 0.059 0.000 1.047 40 T CA 0.597 62.727 62.100 0.049 0.000 1.140 40 T CB 0.190 69.078 68.868 0.033 0.000 0.885 40 T HN 0.212 nan 8.240 nan 0.000 0.464 41 R N 0.985 121.524 120.500 0.066 0.000 2.265 41 R HA 0.272 4.613 4.340 0.002 0.000 0.194 41 R C 0.589 176.940 176.300 0.084 0.000 0.931 41 R CA -0.040 56.099 56.100 0.064 0.000 1.032 41 R CB 0.296 30.629 30.300 0.055 0.000 0.980 41 R HN 0.130 nan 8.270 nan 0.000 0.497 42 S N 0.174 115.939 115.700 0.108 0.000 2.568 42 S HA 0.406 4.877 4.470 0.002 0.000 0.282 42 S C 0.305 174.980 174.600 0.124 0.000 1.338 42 S CA -0.003 58.279 58.200 0.135 0.000 1.045 42 S CB 1.522 64.817 63.200 0.158 0.000 0.873 42 S HN 0.445 nan 8.310 nan 0.000 0.516 43 G N -0.199 108.684 108.800 0.139 0.000 2.691 43 G HA2 0.581 4.543 3.960 0.002 0.000 0.298 43 G HA3 0.581 4.543 3.960 0.002 0.000 0.298 43 G C 0.061 175.044 174.900 0.138 0.000 1.471 43 G CA 0.177 45.349 45.100 0.119 0.000 0.912 43 G HN 1.138 nan 8.290 nan 0.000 0.553 44 G N 1.262 110.117 108.800 0.092 0.000 2.591 44 G HA2 -0.204 3.758 3.960 0.002 0.000 0.298 44 G HA3 -0.204 3.758 3.960 0.002 0.000 0.298 44 G C 1.396 176.314 174.900 0.030 0.000 1.195 44 G CA 0.978 46.121 45.100 0.071 0.000 0.989 44 G HN 1.782 nan 8.290 nan 0.000 0.551 45 S N 0.667 116.371 115.700 0.006 0.000 2.634 45 S HA 0.428 4.899 4.470 0.002 0.000 0.221 45 S C -0.365 173.940 174.600 -0.492 0.000 0.952 45 S CA 0.381 58.445 58.200 -0.227 0.000 0.930 45 S CB 0.006 63.028 63.200 -0.296 0.000 0.780 45 S HN 0.422 nan 8.310 nan 0.000 0.498 46 Y N 0.943 121.262 120.300 0.032 0.000 2.350 46 Y HA 0.513 5.064 4.550 0.002 0.000 0.338 46 Y C -0.097 175.846 175.900 0.071 0.000 0.961 46 Y CA -1.044 57.089 58.100 0.055 0.000 1.100 46 Y CB 0.914 39.399 38.460 0.042 0.000 1.179 46 Y HN -0.022 nan 8.280 nan 0.000 0.454 47 L N 4.201 125.549 121.223 0.208 0.000 2.307 47 L HA 0.597 4.938 4.340 0.002 0.000 0.282 47 L C -0.607 176.412 176.870 0.248 0.000 1.051 47 L CA -1.107 53.852 54.840 0.199 0.000 0.804 47 L CB 1.155 43.310 42.059 0.158 0.000 1.197 47 L HN 0.321 nan 8.230 nan 0.000 0.431 48 V N 1.345 121.378 119.914 0.200 0.000 2.435 48 V HA 0.151 4.272 4.120 0.002 0.000 0.290 48 V C -0.253 175.942 176.094 0.167 0.000 1.030 48 V CA -0.593 61.818 62.300 0.185 0.000 0.881 48 V CB 1.844 33.745 31.823 0.130 0.000 0.983 48 V HN 0.667 nan 8.190 nan 0.000 0.445 49 D N 3.965 124.480 120.400 0.191 0.000 2.325 49 D HA 0.353 4.994 4.640 0.002 0.000 0.251 49 D C 0.944 177.316 176.300 0.119 0.000 1.196 49 D CA 0.149 54.239 54.000 0.150 0.000 0.866 49 D CB 1.848 42.766 40.800 0.197 0.000 1.101 49 D HN 0.598 nan 8.370 nan 0.000 0.476 50 A N 4.201 127.082 122.820 0.102 0.000 2.121 50 A HA -0.069 4.252 4.320 0.002 0.000 0.218 50 A C 2.052 179.680 177.584 0.073 0.000 1.154 50 A CA 0.696 52.782 52.037 0.081 0.000 0.679 50 A CB -0.437 18.608 19.000 0.074 0.000 0.795 50 A HN 0.755 nan 8.150 nan 0.000 0.458 51 I N -0.468 120.151 120.570 0.081 0.000 2.235 51 I HA -0.153 4.018 4.170 0.002 0.000 0.241 51 I C 2.772 178.924 176.117 0.059 0.000 1.085 51 I CA 1.835 63.175 61.300 0.068 0.000 1.378 51 I CB -0.260 37.782 38.000 0.069 0.000 1.076 51 I HN 0.483 nan 8.210 nan 0.000 0.415 52 T N -2.757 111.838 114.554 0.069 0.000 3.040 52 T HA 0.276 4.627 4.350 0.002 0.000 0.252 52 T C 1.634 176.362 174.700 0.047 0.000 1.064 52 T CA 0.577 62.710 62.100 0.054 0.000 1.110 52 T CB 0.597 69.499 68.868 0.058 0.000 0.921 52 T HN 0.504 nan 8.240 nan 0.000 0.480 53 G N 1.660 110.498 108.800 0.064 0.000 2.176 53 G HA2 -0.280 3.681 3.960 0.002 0.000 0.253 53 G HA3 -0.280 3.681 3.960 0.002 0.000 0.253 53 G C 0.169 175.095 174.900 0.044 0.000 0.979 53 G CA 0.140 45.271 45.100 0.052 0.000 0.641 53 G HN 0.861 nan 8.290 nan 0.000 0.530 54 R N 0.428 120.959 120.500 0.052 0.000 2.623 54 R HA 0.584 4.925 4.340 0.002 0.000 0.271 54 R C 0.515 176.841 176.300 0.043 0.000 1.043 54 R CA 0.008 56.101 56.100 -0.011 0.000 1.083 54 R CB 0.242 30.496 30.300 -0.077 0.000 0.974 54 R HN 0.308 nan 8.270 nan 0.000 0.436 55 R N 2.681 123.152 120.500 -0.048 0.000 2.368 55 R HA 0.307 4.649 4.340 0.002 0.000 0.302 55 R C -1.214 175.080 176.300 -0.009 0.000 1.002 55 R CA -0.191 55.949 56.100 0.065 0.000 0.929 55 R CB 0.989 31.294 30.300 0.009 0.000 1.073 55 R HN 0.556 nan 8.270 nan 0.000 0.464 56 Y N 2.762 123.127 120.300 0.108 0.000 2.331 56 Y HA 0.283 4.835 4.550 0.002 0.000 0.334 56 Y C -0.505 175.407 175.900 0.021 0.000 0.960 56 Y CA -1.040 57.064 58.100 0.007 0.000 1.130 56 Y CB 1.525 39.926 38.460 -0.098 0.000 1.164 56 Y HN 0.370 nan 8.280 nan 0.000 0.458 57 L N 4.454 125.716 121.223 0.066 0.000 2.410 57 L HA 0.199 4.541 4.340 0.002 0.000 0.273 57 L C -0.303 176.526 176.870 -0.069 0.000 1.144 57 L CA 0.192 54.925 54.840 -0.177 0.000 0.863 57 L CB 0.198 42.198 42.059 -0.098 0.000 1.140 57 L HN 0.561 nan 8.230 nan 0.000 0.463 58 D N 5.786 126.096 120.400 -0.149 0.000 2.443 58 D HA 0.221 4.863 4.640 0.002 0.000 0.221 58 D C -0.085 176.223 176.300 0.014 0.000 1.097 58 D CA -0.145 53.846 54.000 -0.013 0.000 0.865 58 D CB 0.590 41.352 40.800 -0.063 0.000 1.034 58 D HN 0.470 nan 8.370 nan 0.000 0.511 59 M N 4.274 123.935 119.600 0.102 0.000 2.866 59 M HA 0.163 4.644 4.480 0.002 0.000 0.319 59 M C -0.026 176.365 176.300 0.151 0.000 1.244 59 M CA -0.206 55.173 55.300 0.131 0.000 0.974 59 M CB -0.289 32.432 32.600 0.202 0.000 1.291 59 M HN 0.472 nan 8.290 nan 0.000 0.513 60 F N 0.011 119.927 119.950 -0.057 0.000 2.671 60 F HA 0.099 4.627 4.527 0.002 0.000 0.303 60 F C 1.048 176.796 175.800 -0.086 0.000 0.935 60 F CA 1.046 59.008 58.000 -0.064 0.000 1.136 60 F CB 0.241 39.212 39.000 -0.049 0.000 0.929 60 F HN 0.268 nan 8.300 nan 0.000 0.659 61 T N 0.457 114.654 114.554 -0.596 0.000 3.708 61 T HA -0.322 4.029 4.350 0.002 0.000 0.375 61 T C -0.161 174.078 174.700 -0.768 0.000 0.763 61 T CA 0.647 62.346 62.100 -0.668 0.000 1.915 61 T CB -3.422 65.272 68.868 -0.291 0.000 1.783 61 T HN 0.845 nan 8.240 nan 0.000 0.734 62 F N -1.954 117.266 119.950 -1.218 0.000 2.983 62 F HA -0.163 4.365 4.527 0.002 0.000 0.288 62 F C 1.200 176.664 175.800 -0.559 0.000 0.980 62 F CA 0.179 57.693 58.000 -0.811 0.000 0.965 62 F CB -2.564 36.267 39.000 -0.281 0.000 0.967 62 F HN 1.053 nan 8.300 nan 0.000 0.800 63 V N -1.666 117.887 119.914 -0.601 0.000 5.961 63 V HA -0.101 4.020 4.120 0.002 0.000 0.311 63 V C 1.352 177.378 176.094 -0.114 0.000 0.552 63 V CA 1.058 63.256 62.300 -0.170 0.000 0.641 63 V CB -2.214 29.612 31.823 0.005 0.000 0.286 63 V HN 2.374 nan 8.190 nan 0.000 0.939 64 A N -0.328 122.390 122.820 -0.169 0.000 2.861 64 A HA -0.255 4.066 4.320 0.002 0.000 0.261 64 A C 1.699 179.273 177.584 -0.017 0.000 1.351 64 A CA 2.075 54.069 52.037 -0.072 0.000 0.904 64 A CB -1.951 17.040 19.000 -0.014 0.000 1.076 64 A HN 2.328 nan 8.150 nan 0.000 0.729 65 S N -1.172 114.522 115.700 -0.009 0.000 2.556 65 S HA 0.484 4.955 4.470 0.002 0.000 0.216 65 S C 0.540 175.192 174.600 0.087 0.000 0.970 65 S CA 0.888 59.127 58.200 0.065 0.000 0.912 65 S CB 0.007 63.260 63.200 0.088 0.000 0.790 65 S HN 1.871 nan 8.310 nan 0.000 0.504 66 S N 0.268 115.997 115.700 0.048 0.000 2.498 66 S HA 0.744 5.215 4.470 0.002 0.000 0.317 66 S C 0.820 175.425 174.600 0.009 0.000 1.090 66 S CA -0.211 58.025 58.200 0.060 0.000 1.089 66 S CB 1.267 64.510 63.200 0.071 0.000 0.997 66 S HN 0.434 nan 8.310 nan 0.000 0.470 67 A N 4.763 127.596 122.820 0.022 0.000 1.898 67 A HA 0.249 4.570 4.320 0.002 0.000 0.214 67 A C 1.523 179.094 177.584 -0.022 0.000 1.183 67 A CA 0.744 52.782 52.037 0.000 0.000 0.622 67 A CB -0.389 18.613 19.000 0.003 0.000 0.824 67 A HN 0.819 nan 8.150 nan 0.000 0.444 68 L N -1.524 119.689 121.223 -0.016 0.000 2.693 68 L HA 0.397 4.738 4.340 0.002 0.000 0.235 68 L C 1.193 178.052 176.870 -0.019 0.000 1.127 68 L CA 0.183 55.006 54.840 -0.027 0.000 0.914 68 L CB -0.475 41.566 42.059 -0.029 0.000 1.193 68 L HN 0.590 nan 8.230 nan 0.000 0.502 69 G N 0.709 109.499 108.800 -0.017 0.000 2.681 69 G HA2 -0.201 3.760 3.960 0.002 0.000 0.220 69 G HA3 -0.201 3.760 3.960 0.002 0.000 0.220 69 G C -0.343 174.579 174.900 0.037 0.000 1.353 69 G CA -0.819 44.266 45.100 -0.026 0.000 0.872 69 G HN -0.112 nan 8.290 nan 0.000 0.557 70 M N 1.634 121.265 119.600 0.052 0.000 2.217 70 M HA 0.217 4.698 4.480 0.002 0.000 0.354 70 M C 0.977 177.338 176.300 0.100 0.000 1.225 70 M CA -0.085 55.285 55.300 0.116 0.000 1.137 70 M CB 0.119 32.801 32.600 0.137 0.000 1.576 70 M HN 0.734 nan 8.290 nan 0.000 0.461 71 N N 1.316 120.082 118.700 0.111 0.000 2.669 71 N HA -0.134 4.608 4.740 0.002 0.000 0.266 71 N C -2.458 173.101 175.510 0.081 0.000 1.024 71 N CA 0.298 53.408 53.050 0.100 0.000 0.766 71 N CB -1.455 37.089 38.487 0.096 0.000 0.898 71 N HN 0.389 nan 8.380 nan 0.000 0.548 72 P HA 0.123 nan 4.420 nan 0.000 0.271 72 P C -1.669 175.652 177.300 0.034 0.000 1.220 72 P CA -1.123 61.998 63.100 0.034 0.000 0.768 72 P CB 0.549 32.252 31.700 0.005 0.000 0.848 73 P HA -0.229 nan 4.420 nan 0.000 0.216 73 P C 1.416 178.718 177.300 0.003 0.000 1.154 73 P CA 2.154 65.267 63.100 0.022 0.000 0.865 73 P CB -0.381 31.323 31.700 0.008 0.000 0.789 74 A N -1.985 120.816 122.820 -0.032 0.000 2.125 74 A HA -0.129 4.193 4.320 0.002 0.000 0.219 74 A C 1.935 179.459 177.584 -0.100 0.000 1.156 74 A CA 1.373 53.368 52.037 -0.071 0.000 0.671 74 A CB -1.247 17.692 19.000 -0.101 0.000 0.794 74 A HN 0.123 nan 8.150 nan 0.000 0.459 75 L N -1.568 119.625 121.223 -0.049 0.000 2.286 75 L HA 0.041 4.382 4.340 0.002 0.000 0.203 75 L C 2.399 179.429 176.870 0.266 0.000 1.068 75 L CA 0.896 55.751 54.840 0.024 0.000 0.811 75 L CB -0.297 41.794 42.059 0.053 0.000 0.989 75 L HN 0.149 nan 8.230 nan 0.000 0.467 76 V N -0.451 119.594 119.914 0.218 0.000 2.427 76 V HA -0.205 3.917 4.120 0.002 0.000 0.248 76 V C 1.513 177.751 176.094 0.240 0.000 1.051 76 V CA 1.617 64.100 62.300 0.306 0.000 1.048 76 V CB -0.519 31.410 31.823 0.176 0.000 0.666 76 V HN 0.382 nan 8.190 nan 0.000 0.456 77 D N -0.684 119.759 120.400 0.071 0.000 2.349 77 D HA 0.018 4.659 4.640 0.002 0.000 0.215 77 D C 0.767 177.000 176.300 -0.112 0.000 1.016 77 D CA 0.387 54.391 54.000 0.006 0.000 0.870 77 D CB -0.121 40.682 40.800 0.005 0.000 0.917 77 D HN 0.344 nan 8.370 nan 0.000 0.524 78 D N 0.339 120.621 120.400 -0.196 0.000 2.453 78 D HA 0.133 4.774 4.640 0.002 0.000 0.223 78 D C 1.508 177.560 176.300 -0.413 0.000 1.183 78 D CA -0.052 53.832 54.000 -0.192 0.000 0.933 78 D CB 0.405 41.170 40.800 -0.059 0.000 1.038 78 D HN 0.004 nan 8.370 nan 0.000 0.513 79 R N 3.473 123.811 120.500 -0.271 0.000 2.096 79 R HA -0.156 4.186 4.340 0.002 0.000 0.235 79 R C 1.872 178.131 176.300 -0.067 0.000 1.127 79 R CA 1.824 57.817 56.100 -0.178 0.000 0.968 79 R CB -1.023 29.255 30.300 -0.037 0.000 0.861 79 R HN 0.610 nan 8.270 nan 0.000 0.440 80 E N -0.729 119.455 120.200 -0.027 0.000 2.072 80 E HA -0.096 4.255 4.350 0.002 0.000 0.191 80 E C 1.891 178.528 176.600 0.061 0.000 0.985 80 E CA 1.170 57.584 56.400 0.023 0.000 0.801 80 E CB -0.268 29.454 29.700 0.035 0.000 0.750 80 E HN 0.579 nan 8.360 nan 0.000 0.452 81 F N 1.963 121.869 119.950 -0.073 0.000 2.134 81 F HA -0.216 4.313 4.527 0.002 0.000 0.299 81 F C 2.133 177.972 175.800 0.064 0.000 1.097 81 F CA 1.623 59.607 58.000 -0.027 0.000 1.264 81 F CB -0.268 38.701 39.000 -0.052 0.000 1.001 81 F HN 0.024 nan 8.300 nan 0.000 0.479 82 H N 0.217 119.182 119.070 -0.174 0.000 2.321 82 H HA -0.150 4.407 4.556 0.002 0.000 0.295 82 H C 2.406 177.588 175.328 -0.243 0.000 1.102 82 H CA 1.429 57.329 56.048 -0.248 0.000 1.266 82 H CB -1.248 28.465 29.762 -0.081 0.000 1.363 82 H HN 0.373 nan 8.280 nan 0.000 0.492 83 A N 0.830 123.643 122.820 -0.012 0.000 1.969 83 A HA -0.143 4.178 4.320 0.002 0.000 0.218 83 A C 2.305 179.840 177.584 -0.082 0.000 1.169 83 A CA 1.496 53.511 52.037 -0.036 0.000 0.635 83 A CB -0.226 18.770 19.000 -0.005 0.000 0.810 83 A HN 0.518 nan 8.150 nan 0.000 0.445 84 E N -0.659 119.473 120.200 -0.114 0.000 2.046 84 E HA -0.144 4.207 4.350 0.002 0.000 0.190 84 E C 1.922 178.410 176.600 -0.187 0.000 0.982 84 E CA 1.048 57.386 56.400 -0.104 0.000 0.800 84 E CB -0.276 29.412 29.700 -0.020 0.000 0.756 84 E HN 0.440 nan 8.360 nan 0.000 0.449 85 L N 0.816 121.795 121.223 -0.407 0.000 2.012 85 L HA -0.211 4.131 4.340 0.002 0.000 0.210 85 L C 2.421 179.161 176.870 -0.216 0.000 1.073 85 L CA 1.758 56.363 54.840 -0.391 0.000 0.748 85 L CB -0.374 41.291 42.059 -0.657 0.000 0.891 85 L HN 0.169 nan 8.230 nan 0.000 0.431 86 M N -0.973 118.516 119.600 -0.186 0.000 2.086 86 M HA -0.246 4.236 4.480 0.002 0.000 0.261 86 M C 2.272 178.517 176.300 -0.092 0.000 1.067 86 M CA 1.782 57.008 55.300 -0.124 0.000 1.116 86 M CB -0.382 32.158 32.600 -0.101 0.000 1.348 86 M HN 0.326 nan 8.290 nan 0.000 0.407 87 Q N -0.573 119.179 119.800 -0.080 0.000 2.133 87 Q HA -0.225 4.117 4.340 0.002 0.000 0.208 87 Q C 2.048 178.013 176.000 -0.058 0.000 0.991 87 Q CA 2.100 57.870 55.803 -0.055 0.000 0.867 87 Q CB -0.403 28.311 28.738 -0.040 0.000 0.911 87 Q HN 0.733 nan 8.270 nan 0.000 0.417 88 A N 0.350 123.126 122.820 -0.074 0.000 1.897 88 A HA 0.003 4.325 4.320 0.002 0.000 0.215 88 A C 2.197 179.728 177.584 -0.089 0.000 1.181 88 A CA 1.311 53.303 52.037 -0.074 0.000 0.620 88 A CB -0.628 18.325 19.000 -0.078 0.000 0.821 88 A HN 0.407 nan 8.150 nan 0.000 0.443 89 A N -0.461 122.299 122.820 -0.100 0.000 2.015 89 A HA 0.067 4.389 4.320 0.002 0.000 0.219 89 A C 2.075 179.604 177.584 -0.090 0.000 1.163 89 A CA 1.173 53.148 52.037 -0.103 0.000 0.646 89 A CB -0.512 18.424 19.000 -0.107 0.000 0.806 89 A HN 0.454 nan 8.150 nan 0.000 0.448 90 L N -0.453 120.725 121.223 -0.075 0.000 2.141 90 L HA -0.078 4.264 4.340 0.002 0.000 0.209 90 L C 0.572 177.409 176.870 -0.055 0.000 1.094 90 L CA 0.682 55.486 54.840 -0.060 0.000 0.763 90 L CB -0.234 41.796 42.059 -0.047 0.000 0.908 90 L HN 0.449 nan 8.230 nan 0.000 0.437 91 N N -0.867 117.799 118.700 -0.058 0.000 2.701 91 N HA 0.281 5.022 4.740 0.002 0.000 0.290 91 N C -0.826 174.637 175.510 -0.079 0.000 1.338 91 N CA -0.594 52.427 53.050 -0.048 0.000 0.799 91 N CB 1.865 40.338 38.487 -0.023 0.000 1.491 91 N HN -0.166 nan 8.380 nan 0.000 0.540 92 K N 1.295 121.656 120.400 -0.065 0.000 2.814 92 K HA 0.355 4.676 4.320 0.002 0.000 0.205 92 K C -2.715 173.897 176.600 0.020 0.000 1.093 92 K CA -1.199 55.011 56.287 -0.127 0.000 1.035 92 K CB 0.773 33.077 32.500 -0.327 0.000 1.220 92 K HN 0.286 nan 8.250 nan 0.000 0.576 93 P HA 0.019 nan 4.420 nan 0.000 0.269 93 P C -0.702 176.745 177.300 0.246 0.000 1.215 93 P CA -0.313 62.859 63.100 0.120 0.000 0.780 93 P CB 0.781 32.521 31.700 0.067 0.000 0.898 94 S N 1.283 117.123 115.700 0.234 0.000 2.700 94 S HA 0.092 4.563 4.470 0.002 0.000 0.321 94 S C 0.900 175.581 174.600 0.136 0.000 1.161 94 S CA -0.601 57.727 58.200 0.213 0.000 1.078 94 S CB -0.692 62.552 63.200 0.074 0.000 1.302 94 S HN 0.270 nan 8.310 nan 0.000 0.540 95 N N 2.879 121.682 118.700 0.171 0.000 2.443 95 N HA -0.124 4.617 4.740 0.002 0.000 0.184 95 N C 1.767 177.417 175.510 0.234 0.000 1.037 95 N CA 1.313 54.473 53.050 0.183 0.000 0.896 95 N CB -0.397 38.186 38.487 0.159 0.000 0.959 95 N HN 0.838 nan 8.380 nan 0.000 0.442 96 S N 0.617 116.420 115.700 0.173 0.000 2.447 96 S HA -0.117 4.354 4.470 0.002 0.000 0.233 96 S C 0.899 175.580 174.600 0.134 0.000 1.006 96 S CA 1.312 59.621 58.200 0.182 0.000 0.957 96 S CB -0.028 63.248 63.200 0.126 0.000 0.773 96 S HN 0.461 nan 8.310 nan 0.000 0.507 97 D N -0.780 119.609 120.400 -0.018 0.000 2.490 97 D HA 0.191 4.833 4.640 0.002 0.000 0.246 97 D C -0.338 175.698 176.300 -0.441 0.000 1.196 97 D CA -0.273 53.602 54.000 -0.208 0.000 0.812 97 D CB 0.153 40.895 40.800 -0.097 0.000 1.191 97 D HN 0.286 nan 8.370 nan 0.000 0.531 98 V N 2.219 121.942 119.914 -0.318 0.000 2.349 98 V HA 0.377 4.498 4.120 0.002 0.000 0.284 98 V C -1.117 174.895 176.094 -0.136 0.000 1.014 98 V CA -0.877 61.259 62.300 -0.274 0.000 0.826 98 V CB 0.394 32.164 31.823 -0.088 0.000 1.009 98 V HN -0.003 nan 8.190 nan 0.000 0.431 99 Y N 2.226 122.560 120.300 0.056 0.000 2.316 99 Y HA 0.757 5.308 4.550 0.002 0.000 0.324 99 Y C 0.872 176.800 175.900 0.048 0.000 1.267 99 Y CA -1.135 56.999 58.100 0.058 0.000 1.311 99 Y CB 1.545 40.044 38.460 0.064 0.000 1.267 99 Y HN 0.713 nan 8.280 nan 0.000 0.516 100 S N -1.714 114.121 115.700 0.224 0.000 2.596 100 S HA 0.428 4.899 4.470 0.002 0.000 0.270 100 S C -0.085 174.580 174.600 0.110 0.000 1.155 100 S CA -0.829 57.449 58.200 0.130 0.000 0.827 100 S CB 1.182 64.436 63.200 0.091 0.000 1.130 100 S HN 0.268 nan 8.310 nan 0.000 0.467 101 V N 1.438 121.402 119.914 0.082 0.000 2.332 101 V HA -0.168 3.953 4.120 0.002 0.000 0.248 101 V C 2.990 179.129 176.094 0.074 0.000 1.055 101 V CA 2.706 65.048 62.300 0.071 0.000 1.038 101 V CB -1.548 30.309 31.823 0.056 0.000 0.651 101 V HN 1.038 nan 8.190 nan 0.000 0.450 102 A N -0.485 122.377 122.820 0.070 0.000 1.883 102 A HA -0.322 3.999 4.320 0.002 0.000 0.217 102 A C 2.294 179.934 177.584 0.094 0.000 1.186 102 A CA 2.603 54.683 52.037 0.071 0.000 0.624 102 A CB -0.541 18.484 19.000 0.043 0.000 0.822 102 A HN 0.555 nan 8.150 nan 0.000 0.444 103 M N -0.432 119.223 119.600 0.092 0.000 2.086 103 M HA -0.100 4.381 4.480 0.002 0.000 0.261 103 M C 2.281 178.665 176.300 0.140 0.000 1.067 103 M CA 1.852 57.220 55.300 0.114 0.000 1.116 103 M CB -0.282 32.388 32.600 0.115 0.000 1.348 103 M HN 0.391 nan 8.290 nan 0.000 0.407 104 A N 0.723 123.602 122.820 0.097 0.000 1.940 104 A HA -0.191 4.130 4.320 0.002 0.000 0.219 104 A C 2.099 179.722 177.584 0.065 0.000 1.176 104 A CA 1.846 53.922 52.037 0.065 0.000 0.631 104 A CB -0.723 18.305 19.000 0.046 0.000 0.814 104 A HN 0.620 nan 8.150 nan 0.000 0.446 105 R N -1.881 118.671 120.500 0.086 0.000 2.081 105 R HA -0.133 4.209 4.340 0.002 0.000 0.235 105 R C 2.028 178.387 176.300 0.099 0.000 1.131 105 R CA 1.645 57.794 56.100 0.082 0.000 0.960 105 R CB -0.539 29.816 30.300 0.091 0.000 0.856 105 R HN 0.639 nan 8.270 nan 0.000 0.436 106 F N 1.233 121.185 119.950 0.004 0.000 2.095 106 F HA -0.210 4.318 4.527 0.002 0.000 0.298 106 F C 1.966 177.775 175.800 0.015 0.000 1.104 106 F CA 1.368 59.363 58.000 -0.009 0.000 1.232 106 F CB -0.468 38.483 39.000 -0.081 0.000 0.987 106 F HN -0.279 nan 8.300 nan 0.000 0.475 107 V N 1.854 121.599 119.914 -0.280 0.000 2.343 107 V HA -0.313 3.809 4.120 0.002 0.000 0.247 107 V C 2.485 178.503 176.094 -0.126 0.000 1.051 107 V CA 2.288 64.411 62.300 -0.295 0.000 1.036 107 V CB -1.094 30.724 31.823 -0.009 0.000 0.654 107 V HN 0.626 nan 8.190 nan 0.000 0.451 108 E N 0.359 120.523 120.200 -0.059 0.000 2.152 108 E HA -0.216 4.136 4.350 0.002 0.000 0.192 108 E C 2.168 178.751 176.600 -0.029 0.000 0.983 108 E CA 1.579 57.968 56.400 -0.018 0.000 0.818 108 E CB -0.461 29.239 29.700 -0.000 0.000 0.758 108 E HN 0.573 nan 8.360 nan 0.000 0.467 109 T N -0.918 113.602 114.554 -0.058 0.000 2.985 109 T HA -0.108 4.244 4.350 0.002 0.000 0.266 109 T C 1.480 176.133 174.700 -0.079 0.000 1.076 109 T CA 0.592 62.658 62.100 -0.057 0.000 1.135 109 T CB -0.494 68.355 68.868 -0.033 0.000 0.890 109 T HN 0.295 nan 8.240 nan 0.000 0.480 110 F N 2.198 121.955 119.950 -0.321 0.000 2.102 110 F HA 0.098 4.627 4.527 0.002 0.000 0.298 110 F C 2.537 178.265 175.800 -0.120 0.000 1.105 110 F CA 1.318 59.145 58.000 -0.289 0.000 1.239 110 F CB -0.810 37.867 39.000 -0.538 0.000 0.991 110 F HN 0.272 nan 8.300 nan 0.000 0.474 111 A N 0.429 123.355 122.820 0.178 0.000 1.902 111 A HA -0.204 4.118 4.320 0.002 0.000 0.217 111 A C 2.433 180.032 177.584 0.025 0.000 1.181 111 A CA 1.697 53.816 52.037 0.136 0.000 0.623 111 A CB -0.837 18.226 19.000 0.106 0.000 0.818 111 A HN 0.443 nan 8.150 nan 0.000 0.443 112 R N -0.383 120.109 120.500 -0.013 0.000 2.066 112 R HA -0.079 4.262 4.340 0.002 0.000 0.232 112 R C 1.893 178.157 176.300 -0.060 0.000 1.131 112 R CA 1.958 58.039 56.100 -0.032 0.000 0.955 112 R CB -0.291 29.987 30.300 -0.036 0.000 0.851 112 R HN 0.358 nan 8.270 nan 0.000 0.432 113 V N 0.534 120.380 119.914 -0.113 0.000 2.535 113 V HA -0.075 4.046 4.120 0.002 0.000 0.246 113 V C 1.935 177.941 176.094 -0.146 0.000 1.045 113 V CA 1.161 63.380 62.300 -0.135 0.000 1.058 113 V CB 0.019 31.733 31.823 -0.182 0.000 0.689 113 V HN 0.296 nan 8.190 nan 0.000 0.461 114 L N -0.482 120.573 121.223 -0.280 0.000 2.817 114 L HA 0.423 4.765 4.340 0.002 0.000 0.248 114 L C 1.368 178.254 176.870 0.026 0.000 1.133 114 L CA 0.057 54.709 54.840 -0.312 0.000 0.935 114 L CB 0.046 41.622 42.059 -0.804 0.000 1.266 114 L HN 0.383 nan 8.230 nan 0.000 0.535 115 G N -0.058 108.752 108.800 0.017 0.000 2.594 115 G HA2 0.128 4.090 3.960 0.002 0.000 0.243 115 G HA3 0.128 4.090 3.960 0.002 0.000 0.243 115 G C -1.093 173.899 174.900 0.154 0.000 1.229 115 G CA -0.005 45.175 45.100 0.135 0.000 0.843 115 G HN -0.001 nan 8.290 nan 0.000 0.578 116 D N 1.242 121.729 120.400 0.146 0.000 2.492 116 D HA 0.287 4.928 4.640 0.002 0.000 0.248 116 D C -1.331 175.002 176.300 0.055 0.000 1.101 116 D CA -1.953 52.122 54.000 0.125 0.000 0.840 116 D CB 2.447 43.355 40.800 0.180 0.000 1.209 116 D HN 0.057 nan 8.370 nan 0.000 0.524 117 P HA -0.162 nan 4.420 nan 0.000 0.217 117 P C 0.982 178.270 177.300 -0.020 0.000 1.148 117 P CA 0.928 64.031 63.100 0.006 0.000 0.834 117 P CB 0.214 31.922 31.700 0.012 0.000 0.783 118 A N -0.789 122.024 122.820 -0.011 0.000 2.119 118 A HA 0.028 4.349 4.320 0.002 0.000 0.217 118 A C 1.511 179.047 177.584 -0.080 0.000 1.153 118 A CA 0.645 52.659 52.037 -0.039 0.000 0.692 118 A CB -0.793 18.190 19.000 -0.028 0.000 0.799 118 A HN 0.207 nan 8.150 nan 0.000 0.458 119 L N 0.176 121.350 121.223 -0.080 0.000 2.679 119 L HA 0.262 4.603 4.340 0.002 0.000 0.238 119 L C -1.928 174.854 176.870 -0.148 0.000 1.330 119 L CA -1.222 53.544 54.840 -0.124 0.000 0.935 119 L CB 1.290 43.283 42.059 -0.109 0.000 1.243 119 L HN 0.087 nan 8.230 nan 0.000 0.484 120 P HA -0.069 nan 4.420 nan 0.000 0.231 120 P C 0.181 177.283 177.300 -0.329 0.000 1.168 120 P CA 0.691 63.620 63.100 -0.284 0.000 0.779 120 P CB 0.173 31.663 31.700 -0.350 0.000 0.844 121 H N 0.665 119.618 119.070 -0.195 0.000 2.800 121 H HA 0.259 4.816 4.556 0.002 0.000 0.291 121 H C 0.042 175.213 175.328 -0.261 0.000 1.076 121 H CA -0.462 55.417 56.048 -0.283 0.000 1.452 121 H CB 0.554 29.909 29.762 -0.677 0.000 1.461 121 H HN -0.001 nan 8.280 nan 0.000 0.488 122 L N 4.290 125.505 121.223 -0.014 0.000 2.325 122 L HA 0.369 4.710 4.340 0.002 0.000 0.278 122 L C -0.446 176.370 176.870 -0.090 0.000 1.023 122 L CA -0.595 54.167 54.840 -0.129 0.000 0.811 122 L CB 1.025 43.003 42.059 -0.134 0.000 1.249 122 L HN 0.465 nan 8.230 nan 0.000 0.431 123 F N 3.167 122.827 119.950 -0.482 0.000 2.581 123 F HA 0.678 5.206 4.527 0.002 0.000 0.311 123 F C -1.541 173.900 175.800 -0.597 0.000 1.113 123 F CA -0.772 57.035 58.000 -0.323 0.000 0.935 123 F CB 1.419 40.438 39.000 0.032 0.000 1.232 123 F HN 0.205 nan 8.300 nan 0.000 0.445 124 F N 5.428 124.990 119.950 -0.647 0.000 2.532 124 F HA 0.834 5.362 4.527 0.002 0.000 0.321 124 F C -0.596 174.871 175.800 -0.555 0.000 1.089 124 F CA -1.149 56.620 58.000 -0.385 0.000 0.926 124 F CB 1.929 40.867 39.000 -0.103 0.000 1.168 124 F HN 0.424 nan 8.300 nan 0.000 0.459 125 V N 1.419 121.308 119.914 -0.043 0.000 3.216 125 V HA 0.388 4.509 4.120 0.002 0.000 0.302 125 V C -1.323 174.819 176.094 0.080 0.000 1.286 125 V CA -0.752 61.545 62.300 -0.005 0.000 1.048 125 V CB 2.542 34.395 31.823 0.051 0.000 1.081 125 V HN 0.769 nan 8.190 nan 0.000 0.442 126 E N 2.303 122.564 120.200 0.102 0.000 2.194 126 E HA 0.567 4.918 4.350 0.002 0.000 0.284 126 E C 0.027 176.685 176.600 0.097 0.000 1.035 126 E CA 0.560 57.019 56.400 0.098 0.000 0.836 126 E CB 1.268 31.039 29.700 0.118 0.000 1.070 126 E HN 1.361 nan 8.360 nan 0.000 0.401 127 G N 1.667 110.522 108.800 0.092 0.000 2.911 127 G HA2 -0.124 3.837 3.960 0.002 0.000 0.686 127 G HA3 -0.124 3.837 3.960 0.002 0.000 0.686 127 G C 0.548 175.504 174.900 0.094 0.000 1.136 127 G CA -0.594 44.561 45.100 0.092 0.000 0.764 127 G HN 0.631 nan 8.290 nan 0.000 0.626 128 G N 0.672 109.538 108.800 0.110 0.000 2.394 128 G HA2 0.310 4.272 3.960 0.002 0.000 0.215 128 G HA3 0.310 4.272 3.960 0.002 0.000 0.215 128 G C 2.117 177.075 174.900 0.097 0.000 1.165 128 G CA 2.383 47.554 45.100 0.118 0.000 0.784 128 G HN 2.025 nan 8.290 nan 0.000 0.535 129 A N 0.375 123.250 122.820 0.092 0.000 1.908 129 A HA 0.014 4.335 4.320 0.002 0.000 0.218 129 A C 2.299 179.923 177.584 0.066 0.000 1.181 129 A CA 1.472 53.549 52.037 0.067 0.000 0.627 129 A CB -0.385 18.642 19.000 0.046 0.000 0.818 129 A HN 0.323 nan 8.150 nan 0.000 0.445 130 L N -0.873 120.393 121.223 0.071 0.000 2.240 130 L HA 0.074 4.415 4.340 0.002 0.000 0.211 130 L C 2.801 179.721 176.870 0.083 0.000 1.106 130 L CA 1.418 56.307 54.840 0.083 0.000 0.793 130 L CB -0.860 41.255 42.059 0.094 0.000 0.927 130 L HN 0.388 nan 8.230 nan 0.000 0.446 131 A N -1.130 121.720 122.820 0.050 0.000 1.877 131 A HA -0.146 4.175 4.320 0.002 0.000 0.216 131 A C 2.308 179.876 177.584 -0.027 0.000 1.186 131 A CA 1.922 53.953 52.037 -0.010 0.000 0.620 131 A CB -0.855 18.087 19.000 -0.096 0.000 0.822 131 A HN 0.191 nan 8.150 nan 0.000 0.443 132 V N 0.280 120.190 119.914 -0.007 0.000 2.343 132 V HA -0.261 3.861 4.120 0.002 0.000 0.247 132 V C 2.395 178.459 176.094 -0.049 0.000 1.051 132 V CA 2.174 64.448 62.300 -0.043 0.000 1.036 132 V CB -0.897 30.917 31.823 -0.015 0.000 0.654 132 V HN 0.602 nan 8.190 nan 0.000 0.451 133 E N 0.177 120.398 120.200 0.036 0.000 2.118 133 E HA -0.216 4.136 4.350 0.002 0.000 0.195 133 E C 2.059 178.684 176.600 0.041 0.000 0.992 133 E CA 1.219 57.688 56.400 0.116 0.000 0.804 133 E CB -0.229 29.588 29.700 0.196 0.000 0.741 133 E HN 0.621 nan 8.360 nan 0.000 0.458 134 N N 0.416 119.115 118.700 -0.002 0.000 2.270 134 N HA -0.075 4.667 4.740 0.002 0.000 0.181 134 N C 1.817 177.231 175.510 -0.160 0.000 1.016 134 N CA 0.857 53.852 53.050 -0.093 0.000 0.870 134 N CB 0.002 38.447 38.487 -0.070 0.000 0.979 134 N HN 0.076 nan 8.380 nan 0.000 0.431 135 A N 1.806 124.545 122.820 -0.135 0.000 1.883 135 A HA -0.098 4.224 4.320 0.002 0.000 0.217 135 A C 2.363 179.759 177.584 -0.314 0.000 1.186 135 A CA 0.987 52.914 52.037 -0.182 0.000 0.624 135 A CB -0.734 18.151 19.000 -0.191 0.000 0.822 135 A HN 0.170 nan 8.150 nan 0.000 0.444 136 L N -0.906 120.089 121.223 -0.379 0.000 2.017 136 L HA -0.204 4.137 4.340 0.002 0.000 0.208 136 L C 2.596 178.944 176.870 -0.870 0.000 1.073 136 L CA 1.845 56.248 54.840 -0.729 0.000 0.745 136 L CB -0.543 41.119 42.059 -0.661 0.000 0.894 136 L HN 0.352 nan 8.230 nan 0.000 0.432 137 K N 0.195 120.393 120.400 -0.337 0.000 2.103 137 K HA -0.171 4.151 4.320 0.002 0.000 0.207 137 K C 2.219 178.713 176.600 -0.177 0.000 1.048 137 K CA 1.375 57.614 56.287 -0.079 0.000 0.930 137 K CB -0.291 32.214 32.500 0.009 0.000 0.716 137 K HN 0.302 nan 8.250 nan 0.000 0.444 138 A N 1.434 124.095 122.820 -0.264 0.000 1.902 138 A HA -0.129 4.192 4.320 0.002 0.000 0.217 138 A C 2.354 179.859 177.584 -0.131 0.000 1.181 138 A CA 1.894 53.797 52.037 -0.224 0.000 0.623 138 A CB -0.627 18.300 19.000 -0.121 0.000 0.818 138 A HN 0.342 nan 8.150 nan 0.000 0.443 139 A N -1.144 121.509 122.820 -0.279 0.000 1.897 139 A HA 0.145 4.467 4.320 0.002 0.000 0.215 139 A C 1.877 179.396 177.584 -0.109 0.000 1.181 139 A CA 1.328 53.207 52.037 -0.264 0.000 0.620 139 A CB -0.655 18.053 19.000 -0.486 0.000 0.821 139 A HN 0.411 nan 8.150 nan 0.000 0.443 140 F N 0.439 120.326 119.950 -0.104 0.000 2.102 140 F HA -0.123 4.405 4.527 0.002 0.000 0.298 140 F C 2.041 177.826 175.800 -0.026 0.000 1.105 140 F CA 1.267 59.207 58.000 -0.101 0.000 1.239 140 F CB -1.087 37.809 39.000 -0.173 0.000 0.991 140 F HN 0.398 nan 8.300 nan 0.000 0.474 141 D N -1.127 119.373 120.400 0.167 0.000 2.104 141 D HA -0.287 4.355 4.640 0.002 0.000 0.194 141 D C 2.168 178.537 176.300 0.116 0.000 0.994 141 D CA 1.581 55.635 54.000 0.090 0.000 0.830 141 D CB -0.424 40.385 40.800 0.015 0.000 0.959 141 D HN 0.296 nan 8.370 nan 0.000 0.452 142 W N 1.035 122.317 121.300 -0.030 0.000 2.333 142 W HA -0.200 4.461 4.660 0.002 0.000 0.316 142 W C 2.295 178.837 176.519 0.039 0.000 1.215 142 W CA 1.817 59.158 57.345 -0.007 0.000 1.278 142 W CB -0.295 29.139 29.460 -0.043 0.000 1.154 142 W HN -0.137 nan 8.180 nan 0.000 0.486 143 K N 0.317 120.897 120.400 0.299 0.000 2.057 143 K HA -0.170 4.151 4.320 0.002 0.000 0.206 143 K C 2.370 178.991 176.600 0.034 0.000 1.050 143 K CA 2.012 58.397 56.287 0.163 0.000 0.935 143 K CB -0.927 31.729 32.500 0.260 0.000 0.715 143 K HN 0.115 nan 8.250 nan 0.000 0.439 144 S N 0.083 115.811 115.700 0.047 0.000 2.356 144 S HA -0.128 4.343 4.470 0.002 0.000 0.223 144 S C 1.911 176.485 174.600 -0.043 0.000 1.032 144 S CA 1.198 59.404 58.200 0.010 0.000 1.005 144 S CB -0.181 63.030 63.200 0.019 0.000 0.867 144 S HN 0.409 nan 8.310 nan 0.000 0.449 145 R N -0.453 120.000 120.500 -0.078 0.000 2.090 145 R HA 0.000 4.341 4.340 0.002 0.000 0.228 145 R C 2.540 178.734 176.300 -0.176 0.000 1.110 145 R CA 1.258 57.286 56.100 -0.120 0.000 0.973 145 R CB -0.690 29.540 30.300 -0.117 0.000 0.869 145 R HN 0.582 nan 8.270 nan 0.000 0.440 146 H N 1.330 120.164 119.070 -0.393 0.000 2.357 146 H HA -0.035 4.522 4.556 0.002 0.000 0.301 146 H C 1.350 176.597 175.328 -0.135 0.000 1.082 146 H CA 1.369 57.169 56.048 -0.414 0.000 1.342 146 H CB 0.247 29.422 29.762 -0.978 0.000 1.389 146 H HN 0.107 nan 8.280 nan 0.000 0.511 147 N N 1.059 119.731 118.700 -0.046 0.000 2.013 147 N HA -0.204 4.537 4.740 0.002 0.000 0.195 147 N C 2.141 177.600 175.510 -0.085 0.000 1.051 147 N CA 1.486 54.507 53.050 -0.048 0.000 0.851 147 N CB -0.801 37.674 38.487 -0.020 0.000 1.044 147 N HN 0.528 nan 8.380 nan 0.000 0.422 148 Q N 0.316 120.063 119.800 -0.088 0.000 2.096 148 Q HA -0.159 4.183 4.340 0.002 0.000 0.208 148 Q C 1.683 177.604 176.000 -0.132 0.000 0.993 148 Q CA 2.208 57.953 55.803 -0.096 0.000 0.862 148 Q CB -0.205 28.483 28.738 -0.085 0.000 0.915 148 Q HN 0.409 nan 8.270 nan 0.000 0.416 149 A N -0.433 122.279 122.820 -0.180 0.000 2.067 149 A HA -0.127 4.194 4.320 0.002 0.000 0.219 149 A C 1.075 178.405 177.584 -0.423 0.000 1.158 149 A CA 1.071 52.937 52.037 -0.286 0.000 0.661 149 A CB -0.350 18.446 19.000 -0.339 0.000 0.801 149 A HN 0.542 nan 8.150 nan 0.000 0.452 150 H N -1.572 117.331 119.070 -0.279 0.000 2.487 150 H HA 0.293 4.850 4.556 0.002 0.000 0.290 150 H C 1.442 176.662 175.328 -0.181 0.000 1.081 150 H CA 0.409 56.311 56.048 -0.244 0.000 1.116 150 H CB 0.202 29.778 29.762 -0.310 0.000 1.560 150 H HN 0.599 nan 8.280 nan 0.000 0.548 151 G N 1.565 110.310 108.800 -0.092 0.000 2.179 151 G HA2 -0.275 3.687 3.960 0.002 0.000 0.260 151 G HA3 -0.275 3.687 3.960 0.002 0.000 0.260 151 G C 0.181 175.026 174.900 -0.093 0.000 0.977 151 G CA 0.088 45.138 45.100 -0.084 0.000 0.641 151 G HN 0.310 nan 8.290 nan 0.000 0.533 152 I N 1.000 121.500 120.570 -0.118 0.000 2.428 152 I HA 0.317 4.488 4.170 0.002 0.000 0.296 152 I C 0.492 176.558 176.117 -0.086 0.000 0.985 152 I CA -0.900 60.311 61.300 -0.149 0.000 1.260 152 I CB 1.184 39.009 38.000 -0.291 0.000 1.389 152 I HN 0.057 nan 8.210 nan 0.000 0.484 153 D N 8.341 128.707 120.400 -0.057 0.000 2.570 153 D HA -0.048 4.594 4.640 0.002 0.000 0.243 153 D C -1.445 174.842 176.300 -0.021 0.000 1.171 153 D CA -1.189 52.794 54.000 -0.028 0.000 0.879 153 D CB 0.848 41.644 40.800 -0.006 0.000 1.143 153 D HN 0.241 nan 8.370 nan 0.000 0.511 154 P HA -0.061 nan 4.420 nan 0.000 0.234 154 P C 0.682 177.978 177.300 -0.007 0.000 1.167 154 P CA 0.489 63.577 63.100 -0.020 0.000 0.763 154 P CB 0.128 31.811 31.700 -0.029 0.000 0.835 155 A N -0.496 122.323 122.820 -0.002 0.000 2.167 155 A HA 0.062 4.383 4.320 0.002 0.000 0.214 155 A C 1.228 178.819 177.584 0.011 0.000 1.151 155 A CA 0.342 52.380 52.037 0.002 0.000 0.735 155 A CB -0.763 18.240 19.000 0.005 0.000 0.802 155 A HN 0.181 nan 8.150 nan 0.000 0.467 156 L N -0.674 120.564 121.223 0.026 0.000 2.325 156 L HA 0.575 4.917 4.340 0.002 0.000 0.279 156 L C 0.866 177.773 176.870 0.061 0.000 1.054 156 L CA 0.301 55.172 54.840 0.052 0.000 0.804 156 L CB 1.361 43.471 42.059 0.086 0.000 1.200 156 L HN 0.357 nan 8.230 nan 0.000 0.436 157 G N 0.713 109.552 108.800 0.064 0.000 2.565 157 G HA2 -0.142 3.819 3.960 0.002 0.000 0.156 157 G HA3 -0.142 3.819 3.960 0.002 0.000 0.156 157 G C 0.148 175.088 174.900 0.068 0.000 1.074 157 G CA -0.042 45.113 45.100 0.091 0.000 0.804 157 G HN 0.724 nan 8.290 nan 0.000 0.496 158 T N -3.234 111.304 114.554 -0.027 0.000 3.043 158 T HA 0.428 4.780 4.350 0.002 0.000 0.272 158 T C 0.518 175.056 174.700 -0.270 0.000 0.990 158 T CA 0.122 62.076 62.100 -0.242 0.000 0.897 158 T CB 0.539 69.275 68.868 -0.220 0.000 1.111 158 T HN 0.476 nan 8.240 nan 0.000 0.529 159 Q N 0.944 120.613 119.800 -0.218 0.000 2.306 159 Q HA 0.701 5.042 4.340 0.002 0.000 0.265 159 Q C -1.376 174.217 176.000 -0.678 0.000 1.022 159 Q CA -1.024 54.429 55.803 -0.583 0.000 0.853 159 Q CB 2.998 31.642 28.738 -0.157 0.000 1.327 159 Q HN 0.119 nan 8.270 nan 0.000 0.449 160 V N 2.715 121.976 119.914 -1.089 0.000 2.407 160 V HA 0.239 4.360 4.120 0.002 0.000 0.291 160 V C -0.589 175.404 176.094 -0.168 0.000 1.018 160 V CA -0.773 61.127 62.300 -0.665 0.000 0.842 160 V CB 1.386 32.650 31.823 -0.932 0.000 0.996 160 V HN 0.584 nan 8.190 nan 0.000 0.426 161 L N 6.389 127.562 121.223 -0.083 0.000 2.397 161 L HA 0.656 4.997 4.340 0.002 0.000 0.271 161 L C -0.115 176.921 176.870 0.277 0.000 1.148 161 L CA 0.768 55.656 54.840 0.080 0.000 0.825 161 L CB 0.313 42.345 42.059 -0.044 0.000 1.117 161 L HN 0.964 nan 8.230 nan 0.000 0.456 162 H N 2.017 121.194 119.070 0.177 0.000 2.932 162 H HA 0.621 5.179 4.556 0.003 0.000 0.307 162 H C -1.612 173.881 175.328 0.275 0.000 1.391 162 H CA -1.289 54.853 56.048 0.156 0.000 1.130 162 H CB 0.519 30.346 29.762 0.108 0.000 1.836 162 H HN 0.488 nan 8.280 nan 0.000 0.522 163 L N 1.232 122.639 121.223 0.307 0.000 2.344 163 L HA 0.529 4.870 4.340 0.002 0.000 0.272 163 L C 0.491 177.503 176.870 0.236 0.000 1.035 163 L CA -1.148 53.853 54.840 0.269 0.000 0.807 163 L CB 1.446 43.714 42.059 0.349 0.000 1.237 163 L HN 0.513 nan 8.230 nan 0.000 0.442 164 R N 0.785 121.399 120.500 0.191 0.000 2.643 164 R HA 0.218 4.559 4.340 0.002 0.000 0.270 164 R C 0.894 177.328 176.300 0.222 0.000 1.061 164 R CA 0.678 56.891 56.100 0.189 0.000 1.107 164 R CB 0.310 30.704 30.300 0.157 0.000 0.999 164 R HN 0.973 nan 8.270 nan 0.000 0.460 165 G N 0.554 109.467 108.800 0.188 0.000 2.155 165 G HA2 -0.321 3.641 3.960 0.002 0.000 0.257 165 G HA3 -0.321 3.641 3.960 0.002 0.000 0.257 165 G C 0.162 175.162 174.900 0.166 0.000 0.983 165 G CA 0.248 45.443 45.100 0.158 0.000 0.676 165 G HN 0.852 nan 8.290 nan 0.000 0.528 166 A N -0.436 122.495 122.820 0.186 0.000 2.354 166 A HA 0.722 5.043 4.320 0.002 0.000 0.269 166 A C -0.454 177.149 177.584 0.032 0.000 1.109 166 A CA -0.095 51.998 52.037 0.093 0.000 0.800 166 A CB 0.671 19.766 19.000 0.158 0.000 1.045 166 A HN 1.368 nan 8.150 nan 0.000 0.489 167 F N 2.666 122.456 119.950 -0.268 0.000 2.496 167 F HA 0.476 5.004 4.527 0.002 0.000 0.341 167 F C 0.283 175.878 175.800 -0.342 0.000 1.134 167 F CA -0.475 57.408 58.000 -0.194 0.000 0.968 167 F CB 1.204 40.164 39.000 -0.066 0.000 1.205 167 F HN 0.697 nan 8.300 nan 0.000 0.436 168 H N 4.039 122.852 119.070 -0.428 0.000 2.784 168 H HA 0.466 5.024 4.556 0.002 0.000 0.273 168 H C 0.880 175.988 175.328 -0.367 0.000 1.112 168 H CA 0.424 56.324 56.048 -0.247 0.000 1.162 168 H CB 0.690 30.386 29.762 -0.110 0.000 1.586 168 H HN 0.824 nan 8.280 nan 0.000 0.548 169 G N 0.897 109.209 108.800 -0.813 0.000 2.343 169 G HA2 -0.111 3.850 3.960 0.002 0.000 0.562 169 G HA3 -0.111 3.850 3.960 0.002 0.000 0.562 169 G C -0.349 174.363 174.900 -0.314 0.000 1.269 169 G CA -0.937 43.910 45.100 -0.422 0.000 1.011 169 G HN 0.222 nan 8.290 nan 0.000 0.498 170 R N -0.086 120.351 120.500 -0.105 0.000 2.616 170 R HA 0.402 4.743 4.340 0.002 0.000 0.427 170 R C 0.824 177.068 176.300 -0.095 0.000 1.030 170 R CA 0.454 56.510 56.100 -0.074 0.000 1.133 170 R CB 0.813 31.110 30.300 -0.005 0.000 1.444 170 R HN 0.781 nan 8.270 nan 0.000 0.578 171 S N -1.930 113.732 115.700 -0.063 0.000 2.722 171 S HA 0.436 4.908 4.470 0.002 0.000 0.292 171 S C 1.480 176.046 174.600 -0.056 0.000 1.135 171 S CA -0.298 57.864 58.200 -0.063 0.000 1.003 171 S CB 1.636 64.824 63.200 -0.020 0.000 1.067 171 S HN 0.143 nan 8.310 nan 0.000 0.546 172 G N 0.434 109.175 108.800 -0.098 0.000 2.649 172 G HA2 -0.274 3.688 3.960 0.002 0.000 0.220 172 G HA3 -0.274 3.688 3.960 0.002 0.000 0.220 172 G C 0.975 175.905 174.900 0.049 0.000 1.189 172 G CA 1.455 46.489 45.100 -0.111 0.000 0.777 172 G HN 0.739 nan 8.290 nan 0.000 0.602 173 Y N 1.359 121.754 120.300 0.157 0.000 2.286 173 Y HA -0.002 4.549 4.550 0.002 0.000 0.293 173 Y C 3.333 179.360 175.900 0.212 0.000 1.124 173 Y CA 1.317 59.582 58.100 0.275 0.000 1.178 173 Y CB -0.965 37.703 38.460 0.347 0.000 1.010 173 Y HN 0.370 nan 8.280 nan 0.000 0.536 174 T N -2.656 112.052 114.554 0.255 0.000 3.055 174 T HA -0.066 4.285 4.350 0.002 0.000 0.265 174 T C 1.825 176.561 174.700 0.060 0.000 1.111 174 T CA 0.519 62.699 62.100 0.133 0.000 1.118 174 T CB -0.463 68.436 68.868 0.052 0.000 0.909 174 T HN 0.021 nan 8.240 nan 0.000 0.501 175 L N 1.877 123.130 121.223 0.050 0.000 2.201 175 L HA 0.147 4.488 4.340 0.002 0.000 0.212 175 L C 2.524 179.427 176.870 0.054 0.000 1.105 175 L CA 1.034 55.893 54.840 0.033 0.000 0.775 175 L CB -1.145 40.918 42.059 0.008 0.000 0.913 175 L HN 0.300 nan 8.230 nan 0.000 0.440 176 S N -1.246 114.492 115.700 0.062 0.000 2.561 176 S HA 0.102 4.573 4.470 0.002 0.000 0.225 176 S C 1.744 176.369 174.600 0.042 0.000 0.977 176 S CA 0.400 58.610 58.200 0.016 0.000 0.926 176 S CB 0.204 63.289 63.200 -0.191 0.000 0.769 176 S HN 0.345 nan 8.310 nan 0.000 0.533 177 L N -0.037 121.202 121.223 0.028 0.000 2.433 177 L HA 0.150 4.491 4.340 0.002 0.000 0.200 177 L C 0.579 177.518 176.870 0.115 0.000 1.059 177 L CA 0.291 55.061 54.840 -0.115 0.000 0.835 177 L CB -0.773 41.276 42.059 -0.016 0.000 1.076 177 L HN 0.027 nan 8.230 nan 0.000 0.481 178 T N 3.799 118.394 114.554 0.067 0.000 2.831 178 T HA 0.032 4.383 4.350 0.002 0.000 0.291 178 T C 0.183 174.955 174.700 0.119 0.000 0.981 178 T CA 0.229 62.339 62.100 0.017 0.000 1.174 178 T CB -0.331 68.437 68.868 -0.167 0.000 0.929 178 T HN 0.372 nan 8.240 nan 0.000 0.532 179 N N 2.035 120.833 118.700 0.163 0.000 2.722 179 N HA 0.118 4.859 4.740 0.002 0.000 0.242 179 N C 0.148 175.754 175.510 0.160 0.000 1.398 179 N CA -0.604 52.547 53.050 0.167 0.000 0.755 179 N CB 1.059 39.657 38.487 0.185 0.000 1.268 179 N HN 0.595 nan 8.380 nan 0.000 0.522 180 T N -0.882 113.772 114.554 0.167 0.000 3.330 180 T HA 0.308 4.660 4.350 0.002 0.000 0.185 180 T C 0.290 175.054 174.700 0.108 0.000 0.874 180 T CA 0.216 62.401 62.100 0.141 0.000 1.268 180 T CB 0.244 69.214 68.868 0.171 0.000 1.866 180 T HN 0.115 nan 8.240 nan 0.000 0.395 181 K N 2.795 123.260 120.400 0.109 0.000 2.322 181 K HA 0.337 4.658 4.320 0.002 0.000 0.283 181 K C -2.066 174.587 176.600 0.089 0.000 1.042 181 K CA -1.878 54.458 56.287 0.082 0.000 0.958 181 K CB 1.177 33.720 32.500 0.071 0.000 0.984 181 K HN 0.202 nan 8.250 nan 0.000 0.473 182 P HA -0.106 nan 4.420 nan 0.000 0.222 182 P C 0.683 178.010 177.300 0.044 0.000 1.147 182 P CA 0.941 64.070 63.100 0.049 0.000 0.790 182 P CB 0.273 31.988 31.700 0.025 0.000 0.780 183 T N -0.165 114.420 114.554 0.052 0.000 2.720 183 T HA -0.149 4.202 4.350 0.002 0.000 0.268 183 T C 1.681 176.455 174.700 0.123 0.000 1.037 183 T CA 1.172 63.308 62.100 0.060 0.000 1.144 183 T CB -0.839 68.064 68.868 0.057 0.000 0.864 183 T HN 0.132 nan 8.240 nan 0.000 0.444 184 I N 1.407 122.072 120.570 0.158 0.000 2.286 184 I HA -0.143 4.029 4.170 0.002 0.000 0.248 184 I C 2.580 178.879 176.117 0.303 0.000 1.115 184 I CA 1.552 62.987 61.300 0.224 0.000 1.392 184 I CB -0.402 37.741 38.000 0.238 0.000 1.065 184 I HN 0.409 nan 8.210 nan 0.000 0.418 185 T N -2.389 112.303 114.554 0.230 0.000 2.975 185 T HA 0.441 4.792 4.350 0.002 0.000 0.257 185 T C 0.805 175.555 174.700 0.084 0.000 1.003 185 T CA -0.012 62.248 62.100 0.267 0.000 0.932 185 T CB -0.036 68.929 68.868 0.163 0.000 1.087 185 T HN 0.150 nan 8.240 nan 0.000 0.512 186 A N 2.033 124.798 122.820 -0.092 0.000 2.498 186 A HA 0.518 4.839 4.320 0.002 0.000 0.239 186 A C 1.004 178.216 177.584 -0.620 0.000 1.068 186 A CA -0.032 51.858 52.037 -0.245 0.000 0.766 186 A CB -0.373 18.524 19.000 -0.172 0.000 1.003 186 A HN 0.571 nan 8.150 nan 0.000 0.497 187 R N -1.311 118.932 120.500 -0.429 0.000 3.989 187 R HA -0.185 4.156 4.340 0.002 0.000 0.377 187 R C -1.249 174.776 176.300 -0.459 0.000 1.158 187 R CA 1.336 57.170 56.100 -0.444 0.000 1.035 187 R CB -2.291 27.739 30.300 -0.449 0.000 1.557 187 R HN 0.514 nan 8.270 nan 0.000 0.551 188 F N 1.094 121.018 119.950 -0.043 0.000 2.443 188 F HA 0.442 4.970 4.527 0.002 0.000 0.335 188 F C -1.668 174.075 175.800 -0.095 0.000 1.104 188 F CA -3.299 54.664 58.000 -0.062 0.000 1.013 188 F CB 0.502 39.472 39.000 -0.050 0.000 1.136 188 F HN -0.269 nan 8.300 nan 0.000 0.470 189 P HA 0.241 nan 4.420 nan 0.000 0.271 189 P C -1.043 176.154 177.300 -0.171 0.000 1.216 189 P CA -0.348 62.700 63.100 -0.088 0.000 0.771 189 P CB 0.686 32.303 31.700 -0.138 0.000 0.864 190 K N 1.936 122.196 120.400 -0.233 0.000 2.385 190 K HA 0.498 4.820 4.320 0.002 0.000 0.248 190 K C -0.542 175.782 176.600 -0.461 0.000 0.955 190 K CA -0.697 55.420 56.287 -0.284 0.000 0.816 190 K CB 1.347 33.773 32.500 -0.123 0.000 1.250 190 K HN 0.220 nan 8.250 nan 0.000 0.434 191 F N 0.927 120.584 119.950 -0.487 0.000 2.418 191 F HA 0.053 4.581 4.527 0.002 0.000 0.341 191 F C 0.911 176.395 175.800 -0.528 0.000 1.120 191 F CA -0.292 57.311 58.000 -0.661 0.000 1.232 191 F CB 0.508 38.658 39.000 -1.416 0.000 1.175 191 F HN 0.485 nan 8.300 nan 0.000 0.569 192 D N 2.881 123.218 120.400 -0.106 0.000 2.453 192 D HA 0.095 4.736 4.640 0.002 0.000 0.223 192 D C -1.207 175.211 176.300 0.196 0.000 1.183 192 D CA -0.178 53.840 54.000 0.031 0.000 0.933 192 D CB 0.009 40.842 40.800 0.055 0.000 1.038 192 D HN 0.152 nan 8.370 nan 0.000 0.513 193 W N 4.095 125.511 121.300 0.194 0.000 2.516 193 W HA 0.384 5.045 4.660 0.002 0.000 0.343 193 W C -2.059 174.572 176.519 0.187 0.000 1.094 193 W CA -3.117 54.339 57.345 0.185 0.000 1.250 193 W CB 0.626 30.207 29.460 0.201 0.000 1.308 193 W HN 0.272 nan 8.180 nan 0.000 0.588 194 P HA 0.174 nan 4.420 nan 0.000 0.276 194 P C -0.469 176.780 177.300 -0.084 0.000 1.243 194 P CA -0.089 63.056 63.100 0.075 0.000 0.768 194 P CB 1.064 32.736 31.700 -0.047 0.000 0.856 195 R N 3.850 124.245 120.500 -0.176 0.000 2.562 195 R HA 0.671 5.012 4.340 0.002 0.000 0.298 195 R C -0.138 176.076 176.300 -0.144 0.000 0.961 195 R CA -0.894 54.970 56.100 -0.393 0.000 0.881 195 R CB 0.879 31.019 30.300 -0.266 0.000 1.159 195 R HN 0.564 nan 8.270 nan 0.000 0.450 196 I N -0.724 119.796 120.570 -0.083 0.000 3.002 196 I HA 0.519 4.691 4.170 0.002 0.000 0.310 196 I C -0.788 175.361 176.117 0.054 0.000 1.087 196 I CA -1.254 60.047 61.300 0.001 0.000 1.017 196 I CB 2.047 40.058 38.000 0.018 0.000 1.226 196 I HN 0.395 nan 8.210 nan 0.000 0.443 197 D N 2.786 123.215 120.400 0.049 0.000 2.423 197 D HA 0.321 4.963 4.640 0.002 0.000 0.238 197 D C -0.097 176.253 176.300 0.082 0.000 1.142 197 D CA 0.294 54.332 54.000 0.064 0.000 0.884 197 D CB 1.465 42.279 40.800 0.023 0.000 1.199 197 D HN 0.751 nan 8.370 nan 0.000 0.438 198 A N 2.982 125.898 122.820 0.161 0.000 2.294 198 A HA 0.404 4.726 4.320 0.002 0.000 0.316 198 A C -2.092 175.611 177.584 0.199 0.000 1.359 198 A CA -1.276 50.933 52.037 0.286 0.000 0.956 198 A CB 0.569 19.901 19.000 0.553 0.000 1.155 198 A HN 0.257 nan 8.150 nan 0.000 0.544 199 P HA 0.172 nan 4.420 nan 0.000 0.220 199 P C -0.802 176.455 177.300 -0.071 0.000 1.806 199 P CA -0.095 62.878 63.100 -0.211 0.000 0.976 199 P CB -1.020 30.416 31.700 -0.440 0.000 1.952 200 Y N -1.037 119.226 120.300 -0.061 0.000 2.326 200 Y HA 0.402 4.954 4.550 0.003 0.000 0.333 200 Y C 0.848 176.654 175.900 -0.156 0.000 1.240 200 Y CA -1.610 56.283 58.100 -0.344 0.000 1.365 200 Y CB 0.079 38.213 38.460 -0.542 0.000 1.289 200 Y HN -0.104 nan 8.280 nan 0.000 0.548 201 M N 5.388 124.998 119.600 0.018 0.000 2.269 201 M HA 0.150 4.631 4.480 0.002 0.000 0.350 201 M C 0.027 176.384 176.300 0.095 0.000 1.429 201 M CA 0.734 56.051 55.300 0.029 0.000 1.063 201 M CB 0.142 32.772 32.600 0.049 0.000 1.841 201 M HN 0.817 nan 8.290 nan 0.000 0.455 202 R N 4.235 124.741 120.500 0.011 0.000 2.854 202 R HA 0.743 5.084 4.340 0.002 0.000 0.271 202 R C -2.994 173.322 176.300 0.026 0.000 0.996 202 R CA -1.936 54.195 56.100 0.052 0.000 0.961 202 R CB 0.619 30.925 30.300 0.010 0.000 1.182 202 R HN 0.324 nan 8.270 nan 0.000 0.479 203 P HA 0.065 nan 4.420 nan 0.000 0.268 203 P C 0.296 177.604 177.300 0.013 0.000 1.205 203 P CA 0.648 63.764 63.100 0.026 0.000 0.771 203 P CB 0.542 32.264 31.700 0.036 0.000 0.858 204 G N 1.044 109.848 108.800 0.008 0.000 2.272 204 G HA2 -0.180 3.782 3.960 0.002 0.000 0.280 204 G HA3 -0.180 3.782 3.960 0.002 0.000 0.280 204 G C -0.592 174.306 174.900 -0.004 0.000 1.067 204 G CA -0.293 44.809 45.100 0.003 0.000 0.902 204 G HN 0.479 nan 8.290 nan 0.000 0.500 205 L N 0.977 122.195 121.223 -0.007 0.000 2.406 205 L HA 0.528 4.869 4.340 0.002 0.000 0.272 205 L C 0.077 176.943 176.870 -0.007 0.000 0.980 205 L CA -0.615 54.217 54.840 -0.014 0.000 0.831 205 L CB 1.877 43.918 42.059 -0.030 0.000 1.253 205 L HN 0.407 nan 8.230 nan 0.000 0.406 206 D N 0.424 120.822 120.400 -0.004 0.000 2.432 206 D HA 0.247 4.888 4.640 0.002 0.000 0.258 206 D C 0.953 177.256 176.300 0.004 0.000 1.146 206 D CA -0.637 53.364 54.000 0.002 0.000 1.015 206 D CB 0.799 41.600 40.800 0.002 0.000 1.107 206 D HN 0.496 nan 8.370 nan 0.000 0.529 207 E N -0.037 120.169 120.200 0.010 0.000 2.119 207 E HA -0.244 4.107 4.350 0.002 0.000 0.221 207 E C -0.677 175.931 176.600 0.013 0.000 1.062 207 E CA 2.684 59.094 56.400 0.015 0.000 0.894 207 E CB -0.934 28.777 29.700 0.018 0.000 0.785 207 E HN 0.556 nan 8.360 nan 0.000 0.472 208 P HA -0.098 nan 4.420 nan 0.000 0.219 208 P C 0.938 178.239 177.300 0.001 0.000 1.150 208 P CA 1.880 64.984 63.100 0.007 0.000 0.814 208 P CB -0.047 31.657 31.700 0.006 0.000 0.787 209 A N -0.028 122.789 122.820 -0.004 0.000 1.902 209 A HA -0.156 4.166 4.320 0.002 0.000 0.217 209 A C 2.291 179.862 177.584 -0.022 0.000 1.181 209 A CA 1.831 53.860 52.037 -0.014 0.000 0.623 209 A CB -1.334 17.657 19.000 -0.016 0.000 0.818 209 A HN 0.008 nan 8.150 nan 0.000 0.443 210 M N -0.294 119.296 119.600 -0.016 0.000 2.117 210 M HA -0.080 4.402 4.480 0.002 0.000 0.262 210 M C 2.465 178.760 176.300 -0.008 0.000 1.065 210 M CA 1.511 56.800 55.300 -0.019 0.000 1.114 210 M CB -1.517 31.083 32.600 0.000 0.000 1.361 210 M HN 0.481 nan 8.290 nan 0.000 0.408 211 A N -0.328 122.497 122.820 0.008 0.000 1.972 211 A HA 0.026 4.348 4.320 0.002 0.000 0.219 211 A C 2.370 179.962 177.584 0.012 0.000 1.169 211 A CA 1.924 53.973 52.037 0.020 0.000 0.635 211 A CB -0.832 18.183 19.000 0.024 0.000 0.810 211 A HN 0.481 nan 8.150 nan 0.000 0.446 212 A N -0.802 122.017 122.820 -0.001 0.000 1.930 212 A HA 0.029 4.350 4.320 0.002 0.000 0.217 212 A C 2.060 179.634 177.584 -0.017 0.000 1.175 212 A CA 1.598 53.632 52.037 -0.005 0.000 0.627 212 A CB -0.482 18.513 19.000 -0.009 0.000 0.815 212 A HN 0.450 nan 8.150 nan 0.000 0.443 213 L N 0.006 121.207 121.223 -0.037 0.000 2.093 213 L HA -0.102 4.239 4.340 0.002 0.000 0.208 213 L C 2.294 179.121 176.870 -0.072 0.000 1.085 213 L CA 2.039 56.838 54.840 -0.067 0.000 0.755 213 L CB -0.563 41.433 42.059 -0.105 0.000 0.904 213 L HN 0.503 nan 8.230 nan 0.000 0.435 214 E N -0.875 119.295 120.200 -0.050 0.000 2.051 214 E HA -0.214 4.137 4.350 0.002 0.000 0.192 214 E C 2.218 178.853 176.600 0.059 0.000 0.991 214 E CA 1.089 57.484 56.400 -0.009 0.000 0.799 214 E CB -0.329 29.416 29.700 0.075 0.000 0.748 214 E HN 0.557 nan 8.360 nan 0.000 0.449 215 A N 1.464 124.310 122.820 0.043 0.000 1.948 215 A HA -0.294 4.028 4.320 0.002 0.000 0.220 215 A C 2.096 179.700 177.584 0.033 0.000 1.177 215 A CA 1.958 54.020 52.037 0.042 0.000 0.636 215 A CB -0.465 18.551 19.000 0.027 0.000 0.815 215 A HN 0.176 nan 8.150 nan 0.000 0.449 216 E N 0.174 120.382 120.200 0.013 0.000 2.072 216 E HA -0.016 4.336 4.350 0.002 0.000 0.191 216 E C 1.989 178.597 176.600 0.013 0.000 0.985 216 E CA 1.568 57.972 56.400 0.006 0.000 0.801 216 E CB -0.488 29.205 29.700 -0.012 0.000 0.750 216 E HN 0.464 nan 8.360 nan 0.000 0.452 217 A N 0.355 123.185 122.820 0.017 0.000 1.898 217 A HA -0.088 4.233 4.320 0.002 0.000 0.216 217 A C 2.040 179.680 177.584 0.094 0.000 1.181 217 A CA 1.207 53.274 52.037 0.049 0.000 0.620 217 A CB -0.625 18.383 19.000 0.013 0.000 0.819 217 A HN 0.327 nan 8.150 nan 0.000 0.442 218 L N -0.113 121.184 121.223 0.123 0.000 2.079 218 L HA -0.129 4.213 4.340 0.002 0.000 0.210 218 L C 2.511 179.408 176.870 0.046 0.000 1.081 218 L CA 1.866 56.754 54.840 0.080 0.000 0.752 218 L CB -1.131 40.976 42.059 0.079 0.000 0.896 218 L HN 0.459 nan 8.230 nan 0.000 0.433 219 R N -0.766 119.757 120.500 0.039 0.000 2.075 219 R HA -0.167 4.175 4.340 0.002 0.000 0.232 219 R C 2.210 178.517 176.300 0.012 0.000 1.126 219 R CA 1.368 57.484 56.100 0.027 0.000 0.963 219 R CB 0.006 30.318 30.300 0.021 0.000 0.858 219 R HN 0.484 nan 8.270 nan 0.000 0.435 220 Q N -0.575 119.228 119.800 0.005 0.000 2.079 220 Q HA -0.101 4.240 4.340 0.002 0.000 0.200 220 Q C 2.075 178.046 176.000 -0.049 0.000 0.974 220 Q CA 1.616 57.409 55.803 -0.016 0.000 0.840 220 Q CB -0.061 28.671 28.738 -0.009 0.000 0.898 220 Q HN 0.379 nan 8.270 nan 0.000 0.430 221 A N 1.211 124.005 122.820 -0.043 0.000 1.902 221 A HA -0.222 4.100 4.320 0.002 0.000 0.217 221 A C 2.015 179.569 177.584 -0.049 0.000 1.181 221 A CA 1.616 53.593 52.037 -0.100 0.000 0.623 221 A CB -0.488 18.456 19.000 -0.094 0.000 0.818 221 A HN 0.255 nan 8.150 nan 0.000 0.443 222 R N -0.314 120.208 120.500 0.038 0.000 2.075 222 R HA -0.036 4.305 4.340 0.002 0.000 0.232 222 R C 2.241 178.526 176.300 -0.026 0.000 1.126 222 R CA 1.500 57.642 56.100 0.069 0.000 0.963 222 R CB -0.470 29.892 30.300 0.102 0.000 0.858 222 R HN 0.386 nan 8.270 nan 0.000 0.435 223 A N 0.812 123.612 122.820 -0.032 0.000 1.908 223 A HA -0.140 4.181 4.320 0.002 0.000 0.218 223 A C 2.389 179.914 177.584 -0.099 0.000 1.181 223 A CA 1.802 53.811 52.037 -0.047 0.000 0.627 223 A CB -0.902 18.080 19.000 -0.030 0.000 0.818 223 A HN 0.571 nan 8.150 nan 0.000 0.445 224 A N -1.236 121.489 122.820 -0.159 0.000 1.902 224 A HA 0.022 4.344 4.320 0.002 0.000 0.217 224 A C 1.928 179.325 177.584 -0.312 0.000 1.181 224 A CA 1.520 53.415 52.037 -0.237 0.000 0.623 224 A CB -0.731 18.076 19.000 -0.321 0.000 0.818 224 A HN 0.435 nan 8.150 nan 0.000 0.443 225 F N 0.277 119.998 119.950 -0.382 0.000 2.134 225 F HA -0.124 4.404 4.527 0.002 0.000 0.299 225 F C 2.426 177.883 175.800 -0.572 0.000 1.097 225 F CA 1.843 59.450 58.000 -0.655 0.000 1.264 225 F CB -0.403 37.763 39.000 -1.390 0.000 1.001 225 F HN 0.329 nan 8.300 nan 0.000 0.479 226 E N -1.085 118.976 120.200 -0.232 0.000 2.285 226 E HA -0.097 4.255 4.350 0.002 0.000 0.194 226 E C 1.931 178.498 176.600 -0.054 0.000 0.997 226 E CA 1.426 57.770 56.400 -0.094 0.000 0.845 226 E CB -0.121 29.572 29.700 -0.013 0.000 0.782 226 E HN 0.418 nan 8.360 nan 0.000 0.491 227 T N -1.576 112.939 114.554 -0.066 0.000 3.065 227 T HA 0.146 4.498 4.350 0.002 0.000 0.252 227 T C 1.098 175.780 174.700 -0.029 0.000 1.099 227 T CA -0.116 61.962 62.100 -0.036 0.000 1.063 227 T CB 0.149 68.999 68.868 -0.030 0.000 0.948 227 T HN -0.101 nan 8.240 nan 0.000 0.506 228 R N 2.246 122.716 120.500 -0.050 0.000 2.748 228 R HA 0.321 4.663 4.340 0.002 0.000 0.283 228 R C -2.962 173.323 176.300 -0.024 0.000 1.507 228 R CA -1.771 54.314 56.100 -0.024 0.000 1.666 228 R CB 0.890 31.169 30.300 -0.034 0.000 1.237 228 R HN 0.298 nan 8.270 nan 0.000 0.633 229 P HA -0.025 nan 4.420 nan 0.000 0.271 229 P C -0.285 176.975 177.300 -0.066 0.000 1.216 229 P CA 0.342 63.356 63.100 -0.143 0.000 0.771 229 P CB 0.525 32.128 31.700 -0.161 0.000 0.864 230 H N -0.043 119.104 119.070 0.129 0.000 3.179 230 H HA -0.191 4.366 4.556 0.003 0.000 0.250 230 H C 0.459 175.847 175.328 0.100 0.000 1.142 230 H CA 1.334 57.454 56.048 0.120 0.000 1.165 230 H CB -1.954 27.862 29.762 0.089 0.000 1.253 230 H HN 0.468 nan 8.280 nan 0.000 0.325 231 D N 0.393 120.880 120.400 0.147 0.000 2.423 231 D HA 0.207 4.848 4.640 0.002 0.000 0.208 231 D C 0.875 177.207 176.300 0.054 0.000 1.068 231 D CA 0.045 54.102 54.000 0.096 0.000 0.860 231 D CB 0.507 41.348 40.800 0.068 0.000 0.992 231 D HN 0.373 nan 8.370 nan 0.000 0.504 232 I N 1.342 121.948 120.570 0.061 0.000 2.337 232 I HA 0.215 4.387 4.170 0.002 0.000 0.291 232 I C 1.289 177.465 176.117 0.098 0.000 1.046 232 I CA -0.409 60.894 61.300 0.005 0.000 1.324 232 I CB 1.751 39.676 38.000 -0.126 0.000 1.409 232 I HN -0.100 nan 8.210 nan 0.000 0.494 233 A N 6.243 129.074 122.820 0.018 0.000 2.021 233 A HA 0.096 4.417 4.320 0.002 0.000 0.216 233 A C 0.791 178.350 177.584 -0.042 0.000 1.163 233 A CA 0.715 52.779 52.037 0.045 0.000 0.676 233 A CB -0.166 18.860 19.000 0.044 0.000 0.818 233 A HN 0.863 nan 8.150 nan 0.000 0.453 234 C N -4.913 114.317 119.300 -0.117 0.000 3.292 234 C HA 0.697 5.158 4.460 0.002 0.000 0.338 234 C C -1.138 173.818 174.990 -0.057 0.000 1.323 234 C CA -1.432 57.502 59.018 -0.140 0.000 1.232 234 C CB 0.353 27.897 27.740 -0.326 0.000 1.517 234 C HN 0.518 nan 8.230 nan 0.000 0.470 235 F N 2.597 122.441 119.950 -0.177 0.000 2.426 235 F HA 0.732 5.261 4.527 0.003 0.000 0.348 235 F C -0.174 175.496 175.800 -0.217 0.000 1.124 235 F CA -0.894 57.013 58.000 -0.155 0.000 1.008 235 F CB 1.428 40.379 39.000 -0.082 0.000 1.139 235 F HN 0.769 nan 8.300 nan 0.000 0.452 236 V N 3.693 123.139 119.914 -0.779 0.000 2.532 236 V HA 0.967 5.088 4.120 0.002 0.000 0.295 236 V C -0.203 175.361 176.094 -0.883 0.000 1.041 236 V CA -0.571 61.272 62.300 -0.762 0.000 0.926 236 V CB 0.616 32.053 31.823 -0.644 0.000 0.992 236 V HN 1.116 nan 8.190 nan 0.000 0.457 237 A N 2.680 125.216 122.820 -0.474 0.000 2.594 237 A HA 0.707 5.028 4.320 0.002 0.000 0.295 237 A C -0.771 177.000 177.584 0.313 0.000 1.071 237 A CA -0.806 51.223 52.037 -0.013 0.000 0.685 237 A CB 1.309 20.360 19.000 0.084 0.000 1.285 237 A HN 0.857 nan 8.150 nan 0.000 0.405 238 E N 1.967 122.399 120.200 0.387 0.000 2.290 238 E HA 0.267 4.618 4.350 0.002 0.000 0.277 238 E C -1.724 175.072 176.600 0.326 0.000 1.035 238 E CA -1.627 54.964 56.400 0.317 0.000 0.873 238 E CB 1.080 30.935 29.700 0.259 0.000 1.029 238 E HN 0.358 nan 8.360 nan 0.000 0.419 239 P HA -0.097 nan 4.420 nan 0.000 0.218 239 P C -0.202 177.323 177.300 0.375 0.000 1.149 239 P CA 1.241 64.297 63.100 -0.074 0.000 0.817 239 P CB 0.322 31.759 31.700 -0.439 0.000 0.785 240 I N -1.048 119.651 120.570 0.215 0.000 2.478 240 I HA 0.197 4.369 4.170 0.002 0.000 0.287 240 I C -0.143 176.030 176.117 0.094 0.000 1.042 240 I CA -0.794 60.553 61.300 0.079 0.000 1.067 240 I CB 2.161 40.021 38.000 -0.233 0.000 1.233 240 I HN -0.311 nan 8.210 nan 0.000 0.431 241 Q N 3.833 123.707 119.800 0.124 0.000 2.281 241 Q HA 0.212 4.554 4.340 0.002 0.000 0.267 241 Q C 0.937 176.931 176.000 -0.011 0.000 1.053 241 Q CA 0.030 55.896 55.803 0.105 0.000 0.905 241 Q CB 1.668 30.491 28.738 0.141 0.000 1.195 241 Q HN 0.939 nan 8.270 nan 0.000 0.398 242 G N 2.142 110.949 108.800 0.011 0.000 2.624 242 G HA2 -0.185 3.776 3.960 0.002 0.000 0.216 242 G HA3 -0.185 3.776 3.960 0.002 0.000 0.216 242 G C 1.016 175.876 174.900 -0.066 0.000 1.274 242 G CA 0.058 45.142 45.100 -0.028 0.000 0.856 242 G HN 0.592 nan 8.290 nan 0.000 0.555 243 E N 1.034 121.172 120.200 -0.104 0.000 2.204 243 E HA -0.088 4.263 4.350 0.002 0.000 0.195 243 E C 2.590 179.136 176.600 -0.089 0.000 0.990 243 E CA 1.068 57.360 56.400 -0.179 0.000 0.821 243 E CB -0.539 28.898 29.700 -0.438 0.000 0.750 243 E HN 0.317 nan 8.360 nan 0.000 0.477 244 G N -0.227 108.556 108.800 -0.029 0.000 2.509 244 G HA2 -0.040 3.921 3.960 0.002 0.000 0.218 244 G HA3 -0.040 3.921 3.960 0.002 0.000 0.218 244 G C 0.919 175.768 174.900 -0.086 0.000 1.124 244 G CA 0.684 45.772 45.100 -0.020 0.000 0.776 244 G HN 0.434 nan 8.290 nan 0.000 0.547 245 G N 0.029 108.766 108.800 -0.104 0.000 2.321 245 G HA2 0.050 4.012 3.960 0.002 0.000 0.177 245 G HA3 0.050 4.012 3.960 0.002 0.000 0.177 245 G C -0.309 174.516 174.900 -0.124 0.000 1.072 245 G CA -0.102 44.925 45.100 -0.121 0.000 0.768 245 G HN 0.242 nan 8.290 nan 0.000 0.481 246 D N -0.693 119.650 120.400 -0.095 0.000 2.890 246 D HA -0.165 4.476 4.640 0.002 0.000 0.226 246 D C 0.731 176.987 176.300 -0.073 0.000 1.207 246 D CA 1.341 55.301 54.000 -0.066 0.000 0.764 246 D CB -0.322 40.508 40.800 0.049 0.000 0.948 246 D HN 0.815 nan 8.370 nan 0.000 0.404 247 R N 1.572 121.934 120.500 -0.231 0.000 2.229 247 R HA 0.394 4.736 4.340 0.002 0.000 0.332 247 R C 0.151 176.184 176.300 -0.444 0.000 0.989 247 R CA -0.531 55.353 56.100 -0.360 0.000 0.842 247 R CB 1.261 31.154 30.300 -0.679 0.000 1.119 247 R HN 0.328 nan 8.270 nan 0.000 0.456 248 H N 2.641 121.520 119.070 -0.319 0.000 2.483 248 H HA 0.330 4.887 4.556 0.002 0.000 0.338 248 H C -0.524 174.587 175.328 -0.362 0.000 1.152 248 H CA -0.270 55.659 56.048 -0.199 0.000 1.264 248 H CB 1.387 31.140 29.762 -0.015 0.000 1.510 248 H HN 0.300 nan 8.280 nan 0.000 0.530 249 F N 0.313 120.451 119.950 0.313 0.000 2.563 249 F HA 0.367 4.895 4.527 0.002 0.000 0.316 249 F C 0.706 176.638 175.800 0.221 0.000 1.076 249 F CA -1.014 57.106 58.000 0.199 0.000 0.921 249 F CB 1.351 40.420 39.000 0.115 0.000 1.209 249 F HN 0.237 nan 8.300 nan 0.000 0.462 250 R N 2.299 123.002 120.500 0.338 0.000 2.594 250 R HA 0.161 4.502 4.340 0.002 0.000 0.272 250 R C -1.784 174.705 176.300 0.316 0.000 1.074 250 R CA -1.310 54.950 56.100 0.266 0.000 1.105 250 R CB 0.254 30.664 30.300 0.185 0.000 1.008 250 R HN 0.306 nan 8.270 nan 0.000 0.472 251 P HA -0.184 nan 4.420 nan 0.000 0.217 251 P C 0.447 177.899 177.300 0.253 0.000 1.148 251 P CA 1.247 64.531 63.100 0.306 0.000 0.828 251 P CB 0.286 32.119 31.700 0.222 0.000 0.783 252 E N -1.499 118.818 120.200 0.195 0.000 2.097 252 E HA -0.205 4.146 4.350 0.002 0.000 0.196 252 E C 1.673 178.365 176.600 0.154 0.000 1.000 252 E CA 1.052 57.543 56.400 0.152 0.000 0.804 252 E CB -1.152 28.626 29.700 0.130 0.000 0.740 252 E HN 0.272 nan 8.360 nan 0.000 0.454 253 F N -0.222 119.729 119.950 0.002 0.000 2.113 253 F HA -0.132 4.396 4.527 0.002 0.000 0.297 253 F C 1.653 177.383 175.800 -0.115 0.000 1.103 253 F CA 1.179 59.106 58.000 -0.122 0.000 1.248 253 F CB -0.264 38.581 39.000 -0.258 0.000 0.999 253 F HN -0.039 nan 8.300 nan 0.000 0.475 254 F N 0.524 120.430 119.950 -0.073 0.000 2.259 254 F HA 0.073 4.602 4.527 0.003 0.000 0.298 254 F C 2.586 178.327 175.800 -0.099 0.000 1.088 254 F CA 0.886 58.804 58.000 -0.136 0.000 1.358 254 F CB -1.539 37.601 39.000 0.234 0.000 1.040 254 F HN 0.074 nan 8.300 nan 0.000 0.505 255 A N 0.211 123.124 122.820 0.154 0.000 1.883 255 A HA -0.124 4.197 4.320 0.002 0.000 0.217 255 A C 2.467 180.044 177.584 -0.011 0.000 1.186 255 A CA 2.011 54.095 52.037 0.079 0.000 0.624 255 A CB -1.309 17.746 19.000 0.091 0.000 0.822 255 A HN 0.293 nan 8.150 nan 0.000 0.444 256 A N -1.265 121.522 122.820 -0.054 0.000 1.933 256 A HA -0.095 4.226 4.320 0.002 0.000 0.218 256 A C 2.166 179.649 177.584 -0.168 0.000 1.175 256 A CA 1.955 53.938 52.037 -0.089 0.000 0.628 256 A CB -0.452 18.512 19.000 -0.059 0.000 0.814 256 A HN 0.419 nan 8.150 nan 0.000 0.444 257 M N -0.828 118.585 119.600 -0.311 0.000 2.117 257 M HA -0.097 4.385 4.480 0.002 0.000 0.262 257 M C 2.151 178.326 176.300 -0.207 0.000 1.065 257 M CA 1.657 56.728 55.300 -0.383 0.000 1.114 257 M CB -1.191 31.019 32.600 -0.651 0.000 1.361 257 M HN 0.483 nan 8.290 nan 0.000 0.408 258 R N 1.131 121.557 120.500 -0.123 0.000 2.096 258 R HA -0.160 4.182 4.340 0.002 0.000 0.240 258 R C 1.828 178.065 176.300 -0.105 0.000 1.139 258 R CA 2.084 58.127 56.100 -0.097 0.000 0.952 258 R CB -0.812 29.460 30.300 -0.047 0.000 0.854 258 R HN 0.500 nan 8.270 nan 0.000 0.436 259 E N -0.517 119.627 120.200 -0.093 0.000 2.072 259 E HA -0.151 4.200 4.350 0.002 0.000 0.191 259 E C 1.905 178.433 176.600 -0.120 0.000 0.985 259 E CA 1.194 57.538 56.400 -0.094 0.000 0.801 259 E CB -0.209 29.448 29.700 -0.070 0.000 0.750 259 E HN 0.170 nan 8.360 nan 0.000 0.452 260 L N 0.509 121.666 121.223 -0.110 0.000 2.083 260 L HA -0.179 4.162 4.340 0.002 0.000 0.209 260 L C 2.142 178.906 176.870 -0.178 0.000 1.083 260 L CA 1.454 56.239 54.840 -0.091 0.000 0.752 260 L CB -0.281 41.762 42.059 -0.026 0.000 0.899 260 L HN 0.222 nan 8.230 nan 0.000 0.433 261 C N -0.561 118.640 119.300 -0.165 0.000 2.446 261 C HA -0.124 4.338 4.460 0.002 0.000 0.277 261 C C 2.363 177.237 174.990 -0.194 0.000 1.275 261 C CA 0.717 59.632 59.018 -0.172 0.000 1.727 261 C CB -0.939 26.752 27.740 -0.081 0.000 2.010 261 C HN 0.568 nan 8.230 nan 0.000 0.486 262 D N 0.398 120.694 120.400 -0.173 0.000 2.117 262 D HA -0.143 4.499 4.640 0.002 0.000 0.197 262 D C 2.109 178.286 176.300 -0.205 0.000 0.987 262 D CA 1.067 54.971 54.000 -0.161 0.000 0.829 262 D CB -0.606 40.116 40.800 -0.130 0.000 0.961 262 D HN 0.596 nan 8.370 nan 0.000 0.460 263 E N -0.769 119.265 120.200 -0.278 0.000 2.130 263 E HA -0.181 4.170 4.350 0.002 0.000 0.196 263 E C 0.753 176.963 176.600 -0.650 0.000 0.998 263 E CA 0.853 56.978 56.400 -0.458 0.000 0.806 263 E CB -0.033 29.336 29.700 -0.551 0.000 0.738 263 E HN 0.252 nan 8.360 nan 0.000 0.459 264 F N 0.737 120.443 119.950 -0.406 0.000 2.647 264 F HA 0.153 4.681 4.527 0.001 0.000 0.300 264 F C -0.192 175.468 175.800 -0.233 0.000 1.106 264 F CA -0.235 57.514 58.000 -0.418 0.000 1.313 264 F CB 0.628 39.092 39.000 -0.893 0.000 1.007 264 F HN -0.168 nan 8.300 nan 0.000 0.536 265 D N 1.359 121.719 120.400 -0.067 0.000 2.735 265 D HA -0.179 4.463 4.640 0.002 0.000 0.235 265 D C 0.063 176.438 176.300 0.126 0.000 1.175 265 D CA 0.890 54.888 54.000 -0.003 0.000 0.683 265 D CB -0.708 40.048 40.800 -0.073 0.000 1.008 265 D HN 0.316 nan 8.370 nan 0.000 0.416 266 A N 0.549 123.381 122.820 0.019 0.000 2.386 266 A HA 0.704 5.026 4.320 0.002 0.000 0.311 266 A C 0.242 177.722 177.584 -0.173 0.000 1.068 266 A CA -0.725 51.335 52.037 0.039 0.000 0.743 266 A CB 1.293 20.426 19.000 0.221 0.000 1.258 266 A HN 0.195 nan 8.150 nan 0.000 0.429 267 L N 1.362 122.392 121.223 -0.322 0.000 2.436 267 L HA 0.363 4.704 4.340 0.002 0.000 0.265 267 L C -0.155 176.541 176.870 -0.291 0.000 1.168 267 L CA -0.346 54.225 54.840 -0.448 0.000 0.815 267 L CB 0.784 42.483 42.059 -0.601 0.000 1.109 267 L HN 0.696 nan 8.230 nan 0.000 0.462 268 L N 3.674 124.699 121.223 -0.330 0.000 2.276 268 L HA 0.498 4.840 4.340 0.002 0.000 0.286 268 L C -0.587 175.984 176.870 -0.499 0.000 1.024 268 L CA -0.040 54.592 54.840 -0.346 0.000 0.826 268 L CB 0.751 42.597 42.059 -0.356 0.000 1.211 268 L HN 0.421 nan 8.230 nan 0.000 0.422 269 I N 4.940 125.202 120.570 -0.513 0.000 2.354 269 I HA 0.286 4.458 4.170 0.002 0.000 0.292 269 I C -0.848 174.961 176.117 -0.512 0.000 0.989 269 I CA -0.390 60.626 61.300 -0.473 0.000 1.188 269 I CB 1.158 38.916 38.000 -0.404 0.000 1.342 269 I HN 0.402 nan 8.210 nan 0.000 0.457 270 F N 4.006 123.779 119.950 -0.295 0.000 2.405 270 F HA 0.209 4.737 4.527 0.002 0.000 0.355 270 F C 0.570 176.290 175.800 -0.132 0.000 1.121 270 F CA -0.970 56.892 58.000 -0.231 0.000 1.112 270 F CB 0.769 39.633 39.000 -0.227 0.000 1.126 270 F HN 0.368 nan 8.300 nan 0.000 0.481 271 D N 3.819 124.333 120.400 0.189 0.000 2.422 271 D HA 0.061 4.703 4.640 0.002 0.000 0.227 271 D C 0.239 176.674 176.300 0.225 0.000 1.190 271 D CA 0.176 54.290 54.000 0.191 0.000 0.905 271 D CB 0.418 41.407 40.800 0.315 0.000 1.034 271 D HN 0.540 nan 8.370 nan 0.000 0.507 272 E N 2.900 123.235 120.200 0.225 0.000 2.437 272 E HA 0.042 4.393 4.350 0.002 0.000 0.195 272 E C 1.617 178.433 176.600 0.359 0.000 1.029 272 E CA -0.082 56.496 56.400 0.297 0.000 0.948 272 E CB 0.869 30.805 29.700 0.395 0.000 1.082 272 E HN 0.359 nan 8.360 nan 0.000 0.456 273 V N 0.822 120.916 119.914 0.300 0.000 2.332 273 V HA -0.310 3.811 4.120 0.002 0.000 0.248 273 V C 2.426 178.674 176.094 0.257 0.000 1.055 273 V CA 2.175 64.654 62.300 0.298 0.000 1.038 273 V CB -0.308 31.665 31.823 0.250 0.000 0.651 273 V HN 0.310 nan 8.190 nan 0.000 0.450 274 Q N -0.331 119.595 119.800 0.211 0.000 2.297 274 Q HA -0.096 4.245 4.340 0.002 0.000 0.203 274 Q C 2.189 178.267 176.000 0.129 0.000 0.931 274 Q CA 1.289 57.182 55.803 0.150 0.000 0.885 274 Q CB 0.142 28.945 28.738 0.109 0.000 0.991 274 Q HN 0.792 nan 8.270 nan 0.000 0.498 275 T N -2.494 112.149 114.554 0.149 0.000 3.067 275 T HA 0.194 4.545 4.350 0.002 0.000 0.261 275 T C 1.023 175.795 174.700 0.119 0.000 1.110 275 T CA 0.213 62.379 62.100 0.110 0.000 1.113 275 T CB -0.042 68.879 68.868 0.089 0.000 0.917 275 T HN 0.250 nan 8.240 nan 0.000 0.499 276 G N -0.204 108.733 108.800 0.228 0.000 2.683 276 G HA2 0.320 4.281 3.960 0.002 0.000 0.260 276 G HA3 0.320 4.281 3.960 0.002 0.000 0.260 276 G C 0.480 175.309 174.900 -0.119 0.000 1.238 276 G CA -0.082 45.148 45.100 0.216 0.000 0.934 276 G HN 0.759 nan 8.290 nan 0.000 0.534 277 C N -0.635 118.347 119.300 -0.530 0.000 4.167 277 C HA -0.064 4.398 4.460 0.002 0.000 0.302 277 C C 1.876 176.754 174.990 -0.186 0.000 1.384 277 C CA 1.240 60.013 59.018 -0.408 0.000 2.041 277 C CB -1.818 25.828 27.740 -0.156 0.000 1.303 277 C HN 2.836 nan 8.230 nan 0.000 0.718 278 G N -0.609 107.961 108.800 -0.383 0.000 2.195 278 G HA2 -0.304 3.657 3.960 0.002 0.000 0.246 278 G HA3 -0.304 3.657 3.960 0.002 0.000 0.246 278 G C 0.576 175.420 174.900 -0.094 0.000 0.984 278 G CA 0.422 45.364 45.100 -0.263 0.000 0.633 278 G HN 1.486 nan 8.290 nan 0.000 0.525 279 L N 1.816 122.994 121.223 -0.076 0.000 2.079 279 L HA 0.092 4.433 4.340 0.002 0.000 0.210 279 L C 2.880 179.742 176.870 -0.013 0.000 1.081 279 L CA 3.477 58.307 54.840 -0.017 0.000 0.752 279 L CB -0.534 41.528 42.059 0.004 0.000 0.896 279 L HN 0.697 nan 8.230 nan 0.000 0.433 280 T N -4.287 110.236 114.554 -0.052 0.000 3.107 280 T HA 0.415 4.767 4.350 0.002 0.000 0.249 280 T C 1.341 176.013 174.700 -0.047 0.000 1.096 280 T CA 0.362 62.448 62.100 -0.024 0.000 1.012 280 T CB 0.175 69.032 68.868 -0.018 0.000 0.977 280 T HN 0.594 nan 8.240 nan 0.000 0.527 281 G N 0.913 109.661 108.800 -0.086 0.000 2.253 281 G HA2 -0.134 3.827 3.960 0.002 0.000 0.209 281 G HA3 -0.134 3.827 3.960 0.002 0.000 0.209 281 G C 0.260 175.047 174.900 -0.189 0.000 0.997 281 G CA 0.080 45.139 45.100 -0.067 0.000 0.640 281 G HN 1.157 nan 8.290 nan 0.000 0.496 282 T N -2.338 111.987 114.554 -0.382 0.000 2.907 282 T HA 0.815 5.166 4.350 0.002 0.000 0.290 282 T C 1.524 175.542 174.700 -1.137 0.000 1.066 282 T CA 0.490 62.194 62.100 -0.659 0.000 1.012 282 T CB 1.563 70.196 68.868 -0.391 0.000 1.184 282 T HN 1.427 nan 8.240 nan 0.000 0.522 283 A N -0.036 121.890 122.820 -1.490 0.000 1.915 283 A HA 0.044 4.366 4.320 0.002 0.000 0.220 283 A C 0.230 177.027 177.584 -1.311 0.000 1.198 283 A CA 1.004 52.133 52.037 -1.514 0.000 0.647 283 A CB -0.942 17.411 19.000 -1.078 0.000 0.825 283 A HN 0.800 nan 8.150 nan 0.000 0.456 284 W N -4.640 116.364 121.300 -0.493 0.000 3.032 284 W HA 0.609 5.270 4.660 0.002 0.000 0.335 284 W C 0.846 177.117 176.519 -0.413 0.000 1.154 284 W CA -0.467 56.645 57.345 -0.389 0.000 1.204 284 W CB 1.622 30.813 29.460 -0.449 0.000 1.416 284 W HN 0.051 nan 8.180 nan 0.000 0.521 285 A N 1.055 123.863 122.820 -0.019 0.000 1.930 285 A HA -0.219 4.103 4.320 0.002 0.000 0.217 285 A C 1.689 179.191 177.584 -0.137 0.000 1.175 285 A CA 2.017 54.002 52.037 -0.087 0.000 0.627 285 A CB -1.149 17.819 19.000 -0.054 0.000 0.815 285 A HN 0.870 nan 8.150 nan 0.000 0.443 286 Y N 0.021 120.216 120.300 -0.175 0.000 2.384 286 Y HA -0.156 4.395 4.550 0.002 0.000 0.289 286 Y C 1.922 177.805 175.900 -0.027 0.000 1.152 286 Y CA 1.479 59.446 58.100 -0.222 0.000 1.258 286 Y CB -0.888 37.436 38.460 -0.226 0.000 0.979 286 Y HN 0.396 nan 8.280 nan 0.000 0.549 287 Q N 0.305 119.826 119.800 -0.465 0.000 2.224 287 Q HA -0.158 4.183 4.340 0.002 0.000 0.203 287 Q C 1.937 177.884 176.000 -0.089 0.000 0.970 287 Q CA 1.587 57.221 55.803 -0.282 0.000 0.865 287 Q CB -0.124 28.397 28.738 -0.363 0.000 0.922 287 Q HN 0.714 nan 8.270 nan 0.000 0.445 288 Q N -0.362 119.396 119.800 -0.070 0.000 2.408 288 Q HA 0.075 4.417 4.340 0.002 0.000 0.205 288 Q C 1.384 177.421 176.000 0.061 0.000 0.919 288 Q CA 0.307 56.107 55.803 -0.004 0.000 0.932 288 Q CB 0.511 29.244 28.738 -0.008 0.000 1.058 288 Q HN 0.349 nan 8.270 nan 0.000 0.517 289 L N -0.197 121.080 121.223 0.090 0.000 2.585 289 L HA 0.123 4.464 4.340 0.002 0.000 0.226 289 L C -0.117 176.861 176.870 0.179 0.000 1.113 289 L CA -0.099 54.841 54.840 0.166 0.000 0.876 289 L CB 0.126 42.312 42.059 0.211 0.000 1.072 289 L HN 0.138 nan 8.230 nan 0.000 0.468 290 D N 0.628 121.118 120.400 0.150 0.000 2.689 290 D HA -0.156 4.485 4.640 0.002 0.000 0.237 290 D C -0.828 175.577 176.300 0.175 0.000 1.148 290 D CA 0.383 54.471 54.000 0.146 0.000 0.656 290 D CB -0.377 40.488 40.800 0.109 0.000 1.050 290 D HN -0.016 nan 8.370 nan 0.000 0.426 291 V N 0.210 120.267 119.914 0.239 0.000 2.588 291 V HA 0.780 4.901 4.120 0.002 0.000 0.304 291 V C 0.466 176.684 176.094 0.207 0.000 1.042 291 V CA -0.550 61.886 62.300 0.227 0.000 0.877 291 V CB 1.976 33.986 31.823 0.313 0.000 0.996 291 V HN 0.318 nan 8.190 nan 0.000 0.425 292 A N 7.447 130.310 122.820 0.071 0.000 2.269 292 A HA 0.822 5.143 4.320 0.002 0.000 0.302 292 A C -2.331 175.142 177.584 -0.186 0.000 1.266 292 A CA -1.378 50.634 52.037 -0.042 0.000 0.894 292 A CB 0.336 19.316 19.000 -0.032 0.000 1.147 292 A HN 0.598 nan 8.150 nan 0.000 0.537 293 P HA 0.317 nan 4.420 nan 0.000 0.280 293 P C -0.435 176.636 177.300 -0.382 0.000 1.272 293 P CA -0.355 62.478 63.100 -0.445 0.000 0.819 293 P CB 1.309 32.686 31.700 -0.538 0.000 1.122 294 D N -0.129 120.041 120.400 -0.383 0.000 2.301 294 D HA 0.157 4.798 4.640 0.002 0.000 0.206 294 D C 0.617 176.719 176.300 -0.330 0.000 0.979 294 D CA 1.124 54.913 54.000 -0.351 0.000 0.874 294 D CB 0.577 41.123 40.800 -0.423 0.000 0.968 294 D HN 0.341 nan 8.370 nan 0.000 0.510 295 I N 0.781 121.144 120.570 -0.344 0.000 2.722 295 I HA 0.235 4.406 4.170 0.002 0.000 0.295 295 I C -1.006 174.944 176.117 -0.279 0.000 1.161 295 I CA -0.894 60.235 61.300 -0.285 0.000 1.032 295 I CB 3.282 41.133 38.000 -0.250 0.000 1.244 295 I HN -0.396 nan 8.210 nan 0.000 0.421 296 V N 4.055 123.833 119.914 -0.226 0.000 2.487 296 V HA 0.684 4.805 4.120 0.002 0.000 0.298 296 V C 0.054 176.087 176.094 -0.103 0.000 1.028 296 V CA -0.541 61.645 62.300 -0.190 0.000 0.860 296 V CB 1.764 33.389 31.823 -0.330 0.000 0.991 296 V HN 0.832 nan 8.190 nan 0.000 0.427 297 A N 5.727 128.506 122.820 -0.069 0.000 2.290 297 A HA 0.931 5.252 4.320 0.002 0.000 0.310 297 A C -0.712 176.911 177.584 0.066 0.000 1.202 297 A CA -0.302 51.684 52.037 -0.086 0.000 0.837 297 A CB 0.388 19.350 19.000 -0.064 0.000 1.139 297 A HN 0.898 nan 8.150 nan 0.000 0.509 298 F N 0.574 120.616 119.950 0.154 0.000 2.611 298 F HA 0.980 5.508 4.527 0.002 0.000 0.324 298 F C 0.393 176.378 175.800 0.309 0.000 1.061 298 F CA -0.471 57.718 58.000 0.314 0.000 0.954 298 F CB 1.310 40.642 39.000 0.552 0.000 1.301 298 F HN 0.964 nan 8.300 nan 0.000 0.482 299 G N -0.105 109.042 108.800 0.579 0.000 2.435 299 G HA2 0.410 4.372 3.960 0.002 0.000 0.296 299 G HA3 0.410 4.372 3.960 0.002 0.000 0.296 299 G C -0.674 174.438 174.900 0.354 0.000 1.240 299 G CA -0.278 45.066 45.100 0.407 0.000 0.872 299 G HN 0.850 nan 8.290 nan 0.000 0.480 300 K N -0.868 119.680 120.400 0.247 0.000 3.860 300 K HA -0.324 3.997 4.320 0.002 0.000 0.215 300 K C 2.074 178.785 176.600 0.185 0.000 0.729 300 K CA 2.217 58.617 56.287 0.188 0.000 0.634 300 K CB -1.147 31.451 32.500 0.163 0.000 0.774 300 K HN 0.450 nan 8.250 nan 0.000 0.793 301 K N 0.730 121.234 120.400 0.173 0.000 2.211 301 K HA -0.129 4.193 4.320 0.002 0.000 0.204 301 K C 2.025 178.732 176.600 0.178 0.000 1.047 301 K CA 1.913 58.284 56.287 0.140 0.000 0.935 301 K CB -0.303 32.253 32.500 0.094 0.000 0.728 301 K HN 0.650 nan 8.250 nan 0.000 0.452 302 T N -1.431 113.289 114.554 0.277 0.000 3.072 302 T HA -0.086 4.266 4.350 0.002 0.000 0.266 302 T C 0.964 175.847 174.700 0.305 0.000 1.127 302 T CA 0.470 62.791 62.100 0.368 0.000 1.107 302 T CB 0.050 69.290 68.868 0.620 0.000 0.910 302 T HN 0.161 nan 8.240 nan 0.000 0.513 303 Q N -0.683 119.250 119.800 0.221 0.000 2.540 303 Q HA -0.199 4.143 4.340 0.002 0.000 0.186 303 Q C 0.644 176.712 176.000 0.113 0.000 2.876 303 Q CA 1.968 57.846 55.803 0.126 0.000 0.213 303 Q CB -2.385 26.392 28.738 0.064 0.000 0.199 303 Q HN 0.637 nan 8.270 nan 0.000 0.403 304 V N 2.068 122.048 119.914 0.110 0.000 2.686 304 V HA 0.329 4.450 4.120 0.002 0.000 0.295 304 V C 1.051 177.381 176.094 0.394 0.000 1.055 304 V CA -0.384 62.000 62.300 0.140 0.000 1.050 304 V CB 1.270 33.081 31.823 -0.021 0.000 0.984 304 V HN 0.471 nan 8.190 nan 0.000 0.482 305 C N 2.824 122.304 119.300 0.301 0.000 2.354 305 C HA 1.060 5.522 4.460 0.002 0.000 0.381 305 C C 1.034 176.022 174.990 -0.003 0.000 1.240 305 C CA 0.503 59.658 59.018 0.228 0.000 2.089 305 C CB 0.933 28.745 27.740 0.120 0.000 2.234 305 C HN 1.394 nan 8.230 nan 0.000 0.544 306 G N -0.799 107.602 108.800 -0.664 0.000 2.368 306 G HA2 0.486 4.448 3.960 0.002 0.000 0.269 306 G HA3 0.486 4.448 3.960 0.002 0.000 0.269 306 G C -1.300 172.938 174.900 -1.102 0.000 1.291 306 G CA 0.358 45.010 45.100 -0.747 0.000 0.903 306 G HN 1.741 nan 8.290 nan 0.000 0.483 307 V N -2.400 117.173 119.914 -0.568 0.000 2.962 307 V HA 0.919 5.040 4.120 0.002 0.000 0.313 307 V C -0.273 175.848 176.094 0.045 0.000 1.099 307 V CA -1.079 61.085 62.300 -0.227 0.000 0.971 307 V CB 1.883 33.680 31.823 -0.043 0.000 1.028 307 V HN 0.944 nan 8.190 nan 0.000 0.430 308 M N 3.376 123.030 119.600 0.090 0.000 2.311 308 M HA 0.897 5.378 4.480 0.002 0.000 0.325 308 M C -0.351 175.850 176.300 -0.165 0.000 1.061 308 M CA -0.578 54.726 55.300 0.006 0.000 0.957 308 M CB 2.037 34.676 32.600 0.065 0.000 1.646 308 M HN 1.072 nan 8.290 nan 0.000 0.434 309 A N 1.871 124.519 122.820 -0.288 0.000 2.475 309 A HA 1.044 5.366 4.320 0.002 0.000 0.301 309 A C -0.335 177.119 177.584 -0.217 0.000 1.059 309 A CA -0.082 51.744 52.037 -0.353 0.000 0.710 309 A CB 1.965 20.568 19.000 -0.662 0.000 1.288 309 A HN 1.006 nan 8.150 nan 0.000 0.408 310 G N -0.036 108.667 108.800 -0.161 0.000 2.539 310 G HA2 0.494 4.455 3.960 0.002 0.000 0.138 310 G HA3 0.494 4.455 3.960 0.002 0.000 0.138 310 G C 0.357 175.189 174.900 -0.114 0.000 1.148 310 G CA 0.759 45.816 45.100 -0.071 0.000 1.057 310 G HN 1.284 nan 8.290 nan 0.000 0.511 311 R N -0.854 119.587 120.500 -0.098 0.000 3.731 311 R HA -0.273 4.068 4.340 0.002 0.000 0.488 311 R C 2.081 178.334 176.300 -0.078 0.000 0.241 311 R CA 2.401 58.441 56.100 -0.099 0.000 1.531 311 R CB -1.157 29.052 30.300 -0.152 0.000 0.923 311 R HN 0.538 nan 8.270 nan 0.000 0.596 312 R N 0.216 120.628 120.500 -0.147 0.000 2.285 312 R HA -0.022 4.319 4.340 0.002 0.000 0.213 312 R C 2.083 178.368 176.300 -0.025 0.000 1.068 312 R CA 1.150 57.199 56.100 -0.086 0.000 1.004 312 R CB -0.014 30.169 30.300 -0.194 0.000 0.873 312 R HN 0.313 nan 8.270 nan 0.000 0.467 313 V N 1.571 121.377 119.914 -0.181 0.000 2.469 313 V HA -0.245 3.877 4.120 0.002 0.000 0.251 313 V C 1.497 177.742 176.094 0.252 0.000 1.064 313 V CA 1.824 64.092 62.300 -0.054 0.000 1.066 313 V CB -0.327 31.446 31.823 -0.083 0.000 0.667 313 V HN 0.306 nan 8.190 nan 0.000 0.461 314 D N -0.440 120.073 120.400 0.188 0.000 2.347 314 D HA -0.092 4.549 4.640 0.002 0.000 0.215 314 D C 1.969 178.393 176.300 0.208 0.000 0.976 314 D CA 0.525 54.645 54.000 0.200 0.000 0.884 314 D CB 0.040 40.947 40.800 0.177 0.000 0.915 314 D HN 0.593 nan 8.370 nan 0.000 0.526 315 E N 0.303 120.668 120.200 0.276 0.000 2.268 315 E HA -0.044 4.307 4.350 0.002 0.000 0.195 315 E C 0.353 177.078 176.600 0.209 0.000 0.995 315 E CA 0.348 56.904 56.400 0.259 0.000 0.836 315 E CB 0.535 30.437 29.700 0.336 0.000 0.763 315 E HN 0.000 nan 8.360 nan 0.000 0.491 316 V N 1.323 121.379 119.914 0.236 0.000 2.318 316 V HA 0.185 4.306 4.120 0.002 0.000 0.271 316 V C 0.791 176.939 176.094 0.090 0.000 1.030 316 V CA -0.012 62.328 62.300 0.067 0.000 0.844 316 V CB 1.080 32.839 31.823 -0.106 0.000 1.015 316 V HN 0.157 nan 8.190 nan 0.000 0.460 317 A N 3.934 126.782 122.820 0.046 0.000 2.015 317 A HA -0.067 4.254 4.320 0.002 0.000 0.219 317 A C 1.273 178.878 177.584 0.036 0.000 1.163 317 A CA 1.326 53.393 52.037 0.049 0.000 0.646 317 A CB -0.165 18.853 19.000 0.029 0.000 0.806 317 A HN 0.868 nan 8.150 nan 0.000 0.448 318 D N 0.248 120.656 120.400 0.014 0.000 2.894 318 D HA 0.113 4.754 4.640 0.002 0.000 0.248 318 D C -0.028 176.270 176.300 -0.003 0.000 1.291 318 D CA -0.517 53.483 54.000 0.000 0.000 0.840 318 D CB -1.280 39.511 40.800 -0.016 0.000 1.044 318 D HN 0.569 nan 8.370 nan 0.000 0.484 319 N N -1.241 117.476 118.700 0.027 0.000 2.317 319 N HA -0.036 4.705 4.740 0.002 0.000 0.245 319 N C 0.960 176.423 175.510 -0.079 0.000 1.294 319 N CA -0.751 52.318 53.050 0.031 0.000 0.924 319 N CB 0.620 39.201 38.487 0.157 0.000 1.186 319 N HN -0.158 nan 8.380 nan 0.000 0.495 320 V N -0.650 119.130 119.914 -0.223 0.000 2.867 320 V HA -0.131 3.991 4.120 0.002 0.000 0.260 320 V C 0.644 176.363 176.094 -0.626 0.000 1.099 320 V CA 1.417 63.432 62.300 -0.475 0.000 1.122 320 V CB -1.138 30.307 31.823 -0.630 0.000 0.708 320 V HN 0.628 nan 8.190 nan 0.000 0.490 321 F N -0.966 118.875 119.950 -0.182 0.000 2.727 321 F HA 0.378 4.907 4.527 0.002 0.000 0.302 321 F C 1.805 177.528 175.800 -0.127 0.000 1.097 321 F CA 0.702 58.583 58.000 -0.199 0.000 1.330 321 F CB -0.160 38.585 39.000 -0.425 0.000 1.084 321 F HN 0.124 nan 8.300 nan 0.000 0.578 322 A N -0.752 122.081 122.820 0.022 0.000 2.259 322 A HA 0.420 4.741 4.320 0.002 0.000 0.213 322 A C 0.381 177.978 177.584 0.023 0.000 1.209 322 A CA 0.201 52.262 52.037 0.040 0.000 0.910 322 A CB 0.122 19.145 19.000 0.038 0.000 0.946 322 A HN -0.022 nan 8.150 nan 0.000 0.497 323 V N 2.527 122.433 119.914 -0.014 0.000 2.417 323 V HA 0.362 4.483 4.120 0.002 0.000 0.291 323 V C -2.580 173.502 176.094 -0.020 0.000 1.024 323 V CA -1.858 60.431 62.300 -0.017 0.000 0.861 323 V CB 1.385 33.185 31.823 -0.038 0.000 0.985 323 V HN 0.213 nan 8.190 nan 0.000 0.436 324 P HA 0.186 nan 4.420 nan 0.000 0.271 324 P C 0.569 177.869 177.300 0.000 0.000 1.218 324 P CA 0.222 63.334 63.100 0.020 0.000 0.780 324 P CB 0.825 32.545 31.700 0.035 0.000 0.901 325 S N 0.041 115.747 115.700 0.011 0.000 3.228 325 S HA -0.174 4.298 4.470 0.002 0.000 0.282 325 S C 1.526 176.109 174.600 -0.028 0.000 1.286 325 S CA 0.819 59.022 58.200 0.004 0.000 1.066 325 S CB -0.956 62.248 63.200 0.007 0.000 1.277 325 S HN 0.499 nan 8.310 nan 0.000 0.661 326 R N -0.005 120.453 120.500 -0.070 0.000 2.075 326 R HA 0.220 4.561 4.340 0.002 0.000 0.226 326 R C 0.959 177.169 176.300 -0.149 0.000 1.114 326 R CA 0.967 57.000 56.100 -0.112 0.000 0.972 326 R CB -0.247 29.958 30.300 -0.158 0.000 0.869 326 R HN 0.509 nan 8.270 nan 0.000 0.437 327 L N 1.015 122.108 121.223 -0.216 0.000 2.334 327 L HA 0.413 4.754 4.340 0.002 0.000 0.276 327 L C -0.433 176.447 176.870 0.016 0.000 1.014 327 L CA -0.726 53.953 54.840 -0.270 0.000 0.815 327 L CB 1.651 43.204 42.059 -0.843 0.000 1.268 327 L HN 0.019 nan 8.230 nan 0.000 0.428 328 N N 0.101 118.901 118.700 0.168 0.000 3.322 328 N HA 0.546 5.288 4.740 0.002 0.000 0.233 328 N C -1.675 173.971 175.510 0.225 0.000 1.399 328 N CA -0.380 52.825 53.050 0.258 0.000 0.894 328 N CB 2.060 40.620 38.487 0.122 0.000 1.440 328 N HN 0.705 nan 8.380 nan 0.000 0.503 329 S N -1.298 114.497 115.700 0.158 0.000 2.638 329 S HA 0.466 4.938 4.470 0.002 0.000 0.274 329 S C 0.396 174.987 174.600 -0.016 0.000 1.157 329 S CA -0.352 57.887 58.200 0.065 0.000 0.826 329 S CB 1.153 64.411 63.200 0.098 0.000 1.139 329 S HN 0.424 nan 8.310 nan 0.000 0.474 330 T N 0.831 115.291 114.554 -0.157 0.000 2.607 330 T HA -0.099 4.253 4.350 0.002 0.000 0.267 330 T C 0.882 175.449 174.700 -0.222 0.000 1.049 330 T CA 1.903 63.805 62.100 -0.330 0.000 1.162 330 T CB -0.354 68.066 68.868 -0.747 0.000 0.863 330 T HN 0.683 nan 8.240 nan 0.000 0.424 331 W N 0.438 121.746 121.300 0.013 0.000 2.640 331 W HA 0.370 5.031 4.660 0.002 0.000 0.268 331 W C 1.809 178.330 176.519 0.004 0.000 1.263 331 W CA 0.480 57.827 57.345 0.003 0.000 1.344 331 W CB -0.904 28.552 29.460 -0.008 0.000 1.093 331 W HN 0.506 nan 8.180 nan 0.000 0.603 332 G N 1.664 110.579 108.800 0.193 0.000 2.295 332 G HA2 0.089 4.050 3.960 0.002 0.000 0.287 332 G HA3 0.089 4.050 3.960 0.002 0.000 0.287 332 G C 0.644 175.594 174.900 0.083 0.000 1.055 332 G CA 0.631 45.781 45.100 0.083 0.000 0.922 332 G HN 0.841 nan 8.290 nan 0.000 0.503 333 G N -1.015 107.852 108.800 0.110 0.000 2.699 333 G HA2 0.104 4.065 3.960 0.002 0.000 0.686 333 G HA3 0.104 4.065 3.960 0.002 0.000 0.686 333 G C -0.453 174.437 174.900 -0.016 0.000 1.301 333 G CA 0.044 45.170 45.100 0.044 0.000 0.816 333 G HN 1.166 nan 8.290 nan 0.000 0.595 334 N N 0.110 118.748 118.700 -0.105 0.000 2.419 334 N HA 0.312 5.053 4.740 0.002 0.000 0.264 334 N C 1.514 176.903 175.510 -0.202 0.000 1.031 334 N CA -0.569 52.370 53.050 -0.184 0.000 0.951 334 N CB 1.416 39.784 38.487 -0.198 0.000 1.101 334 N HN 0.614 nan 8.380 nan 0.000 0.488 335 L N 4.260 125.377 121.223 -0.177 0.000 2.079 335 L HA -0.131 4.210 4.340 0.002 0.000 0.210 335 L C 1.931 178.703 176.870 -0.163 0.000 1.081 335 L CA 1.924 56.668 54.840 -0.159 0.000 0.752 335 L CB -0.739 41.263 42.059 -0.095 0.000 0.896 335 L HN 0.588 nan 8.230 nan 0.000 0.433 336 T N -0.638 113.825 114.554 -0.152 0.000 2.684 336 T HA -0.179 4.172 4.350 0.002 0.000 0.267 336 T C 1.483 176.115 174.700 -0.114 0.000 1.036 336 T CA 1.564 63.590 62.100 -0.123 0.000 1.148 336 T CB -0.389 68.405 68.868 -0.125 0.000 0.863 336 T HN 0.389 nan 8.240 nan 0.000 0.436 337 D N 0.934 121.244 120.400 -0.150 0.000 2.123 337 D HA -0.032 4.609 4.640 0.002 0.000 0.196 337 D C 2.092 178.233 176.300 -0.265 0.000 0.992 337 D CA 1.007 54.917 54.000 -0.151 0.000 0.833 337 D CB -0.322 40.390 40.800 -0.147 0.000 0.954 337 D HN 0.392 nan 8.370 nan 0.000 0.455 338 M N 0.033 119.364 119.600 -0.448 0.000 2.086 338 M HA -0.140 4.341 4.480 0.002 0.000 0.261 338 M C 2.350 178.446 176.300 -0.340 0.000 1.067 338 M CA 0.973 55.761 55.300 -0.853 0.000 1.116 338 M CB -0.192 31.903 32.600 -0.841 0.000 1.348 338 M HN -0.104 nan 8.290 nan 0.000 0.407 339 V N 0.028 119.876 119.914 -0.110 0.000 2.343 339 V HA -0.263 3.858 4.120 0.002 0.000 0.247 339 V C 2.365 178.605 176.094 0.243 0.000 1.051 339 V CA 1.914 64.270 62.300 0.093 0.000 1.036 339 V CB -0.827 31.038 31.823 0.069 0.000 0.654 339 V HN 0.455 nan 8.190 nan 0.000 0.451 340 R N 0.166 120.779 120.500 0.187 0.000 2.081 340 R HA -0.143 4.199 4.340 0.002 0.000 0.235 340 R C 2.308 178.683 176.300 0.124 0.000 1.131 340 R CA 1.636 57.890 56.100 0.257 0.000 0.960 340 R CB -0.449 29.953 30.300 0.171 0.000 0.856 340 R HN 0.486 nan 8.270 nan 0.000 0.436 341 A N 1.469 124.344 122.820 0.091 0.000 1.898 341 A HA -0.215 4.106 4.320 0.002 0.000 0.216 341 A C 2.083 179.798 177.584 0.218 0.000 1.181 341 A CA 1.688 53.817 52.037 0.153 0.000 0.620 341 A CB -0.490 18.630 19.000 0.200 0.000 0.819 341 A HN 0.532 nan 8.150 nan 0.000 0.442 342 R N -0.493 120.187 120.500 0.300 0.000 2.120 342 R HA -0.088 4.253 4.340 0.002 0.000 0.234 342 R C 1.994 178.321 176.300 0.046 0.000 1.123 342 R CA 1.803 58.045 56.100 0.236 0.000 0.975 342 R CB -0.451 30.026 30.300 0.295 0.000 0.866 342 R HN 0.316 nan 8.270 nan 0.000 0.446 343 R N 1.016 121.492 120.500 -0.041 0.000 2.066 343 R HA 0.082 4.423 4.340 0.002 0.000 0.232 343 R C 2.059 178.231 176.300 -0.213 0.000 1.131 343 R CA 1.789 57.729 56.100 -0.267 0.000 0.955 343 R CB -0.569 29.253 30.300 -0.797 0.000 0.851 343 R HN 0.407 nan 8.270 nan 0.000 0.432 344 I N 0.259 120.750 120.570 -0.131 0.000 2.151 344 I HA -0.335 3.837 4.170 0.002 0.000 0.243 344 I C 2.031 178.089 176.117 -0.098 0.000 1.080 344 I CA 1.412 62.657 61.300 -0.091 0.000 1.339 344 I CB -0.294 37.693 38.000 -0.021 0.000 1.039 344 I HN 0.179 nan 8.210 nan 0.000 0.409 345 L N 0.063 121.247 121.223 -0.065 0.000 2.083 345 L HA -0.208 4.133 4.340 0.002 0.000 0.209 345 L C 2.445 179.226 176.870 -0.149 0.000 1.083 345 L CA 1.395 56.172 54.840 -0.105 0.000 0.752 345 L CB -0.553 41.468 42.059 -0.062 0.000 0.899 345 L HN 0.272 nan 8.230 nan 0.000 0.433 346 E N -0.514 119.612 120.200 -0.125 0.000 2.150 346 E HA -0.158 4.193 4.350 0.002 0.000 0.193 346 E C 2.252 178.760 176.600 -0.154 0.000 0.985 346 E CA 1.020 57.342 56.400 -0.131 0.000 0.814 346 E CB 0.079 29.711 29.700 -0.113 0.000 0.752 346 E HN 0.282 nan 8.360 nan 0.000 0.466 347 V N 1.245 121.061 119.914 -0.164 0.000 2.323 347 V HA -0.233 3.888 4.120 0.002 0.000 0.244 347 V C 2.216 178.193 176.094 -0.195 0.000 1.041 347 V CA 1.341 63.544 62.300 -0.163 0.000 1.025 347 V CB -0.348 31.384 31.823 -0.151 0.000 0.656 347 V HN 0.254 nan 8.190 nan 0.000 0.451 348 I N 0.222 120.650 120.570 -0.236 0.000 2.151 348 I HA -0.316 3.855 4.170 0.002 0.000 0.243 348 I C 2.642 178.500 176.117 -0.430 0.000 1.080 348 I CA 2.235 63.319 61.300 -0.359 0.000 1.339 348 I CB -0.304 37.435 38.000 -0.435 0.000 1.039 348 I HN 0.443 nan 8.210 nan 0.000 0.409 349 E N 1.017 121.007 120.200 -0.350 0.000 2.047 349 E HA -0.213 4.139 4.350 0.002 0.000 0.191 349 E C 2.234 178.705 176.600 -0.215 0.000 0.987 349 E CA 1.261 57.481 56.400 -0.300 0.000 0.799 349 E CB -0.030 29.539 29.700 -0.218 0.000 0.752 349 E HN 0.480 nan 8.360 nan 0.000 0.449 350 A N 0.656 123.371 122.820 -0.175 0.000 1.970 350 A HA -0.080 4.242 4.320 0.002 0.000 0.216 350 A C 1.699 179.209 177.584 -0.124 0.000 1.170 350 A CA 1.039 52.998 52.037 -0.130 0.000 0.645 350 A CB -0.134 18.799 19.000 -0.111 0.000 0.816 350 A HN 0.264 nan 8.150 nan 0.000 0.447 351 E N -1.279 118.833 120.200 -0.146 0.000 2.474 351 E HA 0.274 4.626 4.350 0.002 0.000 0.195 351 E C 0.701 177.222 176.600 -0.132 0.000 1.039 351 E CA 0.140 56.465 56.400 -0.125 0.000 0.881 351 E CB 0.099 29.727 29.700 -0.121 0.000 0.970 351 E HN 0.647 nan 8.360 nan 0.000 0.486 352 G N 1.915 110.614 108.800 -0.169 0.000 2.295 352 G HA2 -0.282 3.679 3.960 0.002 0.000 0.287 352 G HA3 -0.282 3.679 3.960 0.002 0.000 0.287 352 G C 0.638 175.441 174.900 -0.161 0.000 1.055 352 G CA 0.161 45.164 45.100 -0.161 0.000 0.922 352 G HN 0.292 nan 8.290 nan 0.000 0.503 353 L N -1.301 119.772 121.223 -0.251 0.000 2.291 353 L HA 0.075 4.416 4.340 0.002 0.000 0.214 353 L C 2.645 179.487 176.870 -0.047 0.000 1.120 353 L CA 0.489 55.221 54.840 -0.179 0.000 0.799 353 L CB -0.397 41.540 42.059 -0.203 0.000 0.925 353 L HN 0.319 nan 8.230 nan 0.000 0.446 354 F N 0.656 120.545 119.950 -0.102 0.000 2.134 354 F HA -0.200 4.328 4.527 0.003 0.000 0.299 354 F C 2.647 178.410 175.800 -0.063 0.000 1.097 354 F CA 1.248 59.188 58.000 -0.100 0.000 1.264 354 F CB -0.857 38.070 39.000 -0.122 0.000 1.001 354 F HN 0.076 nan 8.300 nan 0.000 0.479 355 E N 0.592 120.870 120.200 0.130 0.000 2.106 355 E HA -0.181 4.171 4.350 0.002 0.000 0.192 355 E C 2.361 179.006 176.600 0.074 0.000 0.984 355 E CA 1.081 57.526 56.400 0.076 0.000 0.806 355 E CB -0.276 29.448 29.700 0.040 0.000 0.750 355 E HN 0.228 nan 8.360 nan 0.000 0.458 356 R N -0.542 119.989 120.500 0.052 0.000 2.120 356 R HA -0.067 4.275 4.340 0.002 0.000 0.234 356 R C 2.089 178.444 176.300 0.092 0.000 1.123 356 R CA 1.238 57.378 56.100 0.066 0.000 0.975 356 R CB -0.265 29.999 30.300 -0.061 0.000 0.866 356 R HN 0.235 nan 8.270 nan 0.000 0.446 357 A N -0.034 122.824 122.820 0.063 0.000 1.930 357 A HA -0.073 4.248 4.320 0.002 0.000 0.217 357 A C 2.182 179.825 177.584 0.097 0.000 1.175 357 A CA 1.276 53.357 52.037 0.074 0.000 0.627 357 A CB -0.362 18.678 19.000 0.066 0.000 0.815 357 A HN 0.192 nan 8.150 nan 0.000 0.443 358 V N -0.015 119.950 119.914 0.086 0.000 2.261 358 V HA -0.275 3.846 4.120 0.002 0.000 0.246 358 V C 2.787 178.933 176.094 0.086 0.000 1.047 358 V CA 2.117 64.459 62.300 0.071 0.000 1.015 358 V CB -0.797 31.057 31.823 0.052 0.000 0.642 358 V HN 0.511 nan 8.190 nan 0.000 0.446 359 Q N -0.583 119.281 119.800 0.106 0.000 2.050 359 Q HA -0.165 4.176 4.340 0.002 0.000 0.202 359 Q C 2.216 178.258 176.000 0.071 0.000 0.980 359 Q CA 1.813 57.663 55.803 0.079 0.000 0.840 359 Q CB -0.631 28.149 28.738 0.070 0.000 0.898 359 Q HN 0.738 nan 8.270 nan 0.000 0.424 360 H N -1.139 117.949 119.070 0.032 0.000 2.428 360 H HA 0.019 4.577 4.556 0.002 0.000 0.296 360 H C 1.902 177.283 175.328 0.089 0.000 1.062 360 H CA 0.918 56.994 56.048 0.048 0.000 1.350 360 H CB 0.098 29.863 29.762 0.005 0.000 1.403 360 H HN 0.354 nan 8.280 nan 0.000 0.533 361 G N 1.203 110.107 108.800 0.172 0.000 2.422 361 G HA2 -0.229 3.732 3.960 0.002 0.000 0.218 361 G HA3 -0.229 3.732 3.960 0.002 0.000 0.218 361 G C 1.729 176.674 174.900 0.075 0.000 1.146 361 G CA 0.348 45.511 45.100 0.106 0.000 0.769 361 G HN 0.307 nan 8.290 nan 0.000 0.547 362 K N -0.910 119.536 120.400 0.076 0.000 2.097 362 K HA -0.048 4.273 4.320 0.002 0.000 0.205 362 K C 2.136 178.761 176.600 0.042 0.000 1.050 362 K CA 0.969 57.283 56.287 0.046 0.000 0.938 362 K CB -0.287 32.239 32.500 0.043 0.000 0.718 362 K HN 0.396 nan 8.250 nan 0.000 0.442 363 Y N 1.495 121.761 120.300 -0.055 0.000 2.145 363 Y HA -0.246 4.306 4.550 0.002 0.000 0.286 363 Y C 2.071 177.929 175.900 -0.070 0.000 1.145 363 Y CA 1.226 59.281 58.100 -0.076 0.000 1.148 363 Y CB -0.217 38.169 38.460 -0.123 0.000 0.981 363 Y HN -0.031 nan 8.280 nan 0.000 0.507 364 L N 0.810 122.061 121.223 0.046 0.000 2.046 364 L HA -0.148 4.193 4.340 0.002 0.000 0.208 364 L C 2.453 179.227 176.870 -0.160 0.000 1.077 364 L CA 2.062 56.852 54.840 -0.082 0.000 0.747 364 L CB -0.934 41.094 42.059 -0.053 0.000 0.896 364 L HN 0.172 nan 8.230 nan 0.000 0.432 365 R N 0.290 120.733 120.500 -0.095 0.000 2.083 365 R HA -0.091 4.250 4.340 0.002 0.000 0.237 365 R C 2.192 178.422 176.300 -0.116 0.000 1.137 365 R CA 1.847 57.897 56.100 -0.083 0.000 0.951 365 R CB -1.038 29.238 30.300 -0.041 0.000 0.851 365 R HN 0.496 nan 8.270 nan 0.000 0.434 366 A N 0.766 123.497 122.820 -0.149 0.000 1.908 366 A HA -0.163 4.159 4.320 0.002 0.000 0.218 366 A C 2.071 179.529 177.584 -0.210 0.000 1.181 366 A CA 1.623 53.556 52.037 -0.174 0.000 0.627 366 A CB -0.487 18.388 19.000 -0.208 0.000 0.818 366 A HN 0.233 nan 8.150 nan 0.000 0.445 367 R N -0.303 120.024 120.500 -0.289 0.000 2.096 367 R HA -0.008 4.333 4.340 0.002 0.000 0.235 367 R C 1.981 178.171 176.300 -0.183 0.000 1.127 367 R CA 1.119 57.063 56.100 -0.259 0.000 0.968 367 R CB -1.018 29.103 30.300 -0.299 0.000 0.861 367 R HN 0.620 nan 8.270 nan 0.000 0.440 368 L N 0.438 121.557 121.223 -0.173 0.000 2.179 368 L HA -0.110 4.232 4.340 0.002 0.000 0.208 368 L C 1.681 178.480 176.870 -0.117 0.000 1.096 368 L CA 0.886 55.638 54.840 -0.147 0.000 0.779 368 L CB -0.377 41.634 42.059 -0.080 0.000 0.922 368 L HN 0.019 nan 8.230 nan 0.000 0.443 369 D N 0.422 120.765 120.400 -0.096 0.000 2.117 369 D HA -0.175 4.466 4.640 0.002 0.000 0.197 369 D C 2.089 178.347 176.300 -0.070 0.000 0.987 369 D CA 1.155 55.112 54.000 -0.072 0.000 0.829 369 D CB 0.029 40.788 40.800 -0.067 0.000 0.961 369 D HN 0.365 nan 8.370 nan 0.000 0.460 370 E N 0.169 120.318 120.200 -0.085 0.000 2.110 370 E HA -0.097 4.255 4.350 0.002 0.000 0.193 370 E C 2.338 178.919 176.600 -0.032 0.000 0.988 370 E CA 0.293 56.653 56.400 -0.066 0.000 0.804 370 E CB -0.040 29.612 29.700 -0.080 0.000 0.745 370 E HN 0.253 nan 8.360 nan 0.000 0.458 371 L N 0.517 121.711 121.223 -0.047 0.000 2.046 371 L HA -0.197 4.144 4.340 0.002 0.000 0.208 371 L C 2.532 179.428 176.870 0.043 0.000 1.077 371 L CA 1.001 55.842 54.840 0.002 0.000 0.747 371 L CB -0.383 41.564 42.059 -0.186 0.000 0.896 371 L HN 0.174 nan 8.230 nan 0.000 0.432 372 A N -0.350 122.446 122.820 -0.040 0.000 1.930 372 A HA -0.138 4.183 4.320 0.002 0.000 0.217 372 A C 2.460 180.048 177.584 0.007 0.000 1.175 372 A CA 1.588 53.615 52.037 -0.016 0.000 0.627 372 A CB -0.541 18.441 19.000 -0.030 0.000 0.815 372 A HN 0.431 nan 8.150 nan 0.000 0.443 373 A N -0.117 122.694 122.820 -0.015 0.000 1.897 373 A HA -0.109 4.213 4.320 0.002 0.000 0.215 373 A C 1.686 179.227 177.584 -0.072 0.000 1.181 373 A CA 1.726 53.740 52.037 -0.037 0.000 0.620 373 A CB -0.387 18.586 19.000 -0.045 0.000 0.821 373 A HN 0.421 nan 8.150 nan 0.000 0.443 374 D N -1.493 118.854 120.400 -0.088 0.000 2.289 374 D HA 0.065 4.706 4.640 0.002 0.000 0.207 374 D C -0.379 175.588 176.300 -0.556 0.000 0.966 374 D CA 0.802 54.623 54.000 -0.299 0.000 0.868 374 D CB -0.025 40.589 40.800 -0.312 0.000 0.943 374 D HN 0.444 nan 8.370 nan 0.000 0.514 375 F N -0.346 119.568 119.950 -0.060 0.000 2.564 375 F HA 0.290 4.819 4.527 0.002 0.000 0.329 375 F C -1.822 173.952 175.800 -0.042 0.000 1.458 375 F CA -1.781 56.190 58.000 -0.049 0.000 1.117 375 F CB 1.784 40.746 39.000 -0.063 0.000 1.383 375 F HN -0.186 nan 8.300 nan 0.000 0.571 376 P HA -0.119 nan 4.420 nan 0.000 0.220 376 P C 1.347 178.680 177.300 0.055 0.000 1.148 376 P CA 1.059 64.183 63.100 0.040 0.000 0.803 376 P CB 0.370 32.072 31.700 0.004 0.000 0.782 377 A N -1.590 121.271 122.820 0.069 0.000 2.308 377 A HA 0.195 4.516 4.320 0.002 0.000 0.217 377 A C 1.662 179.296 177.584 0.082 0.000 1.216 377 A CA 0.498 52.574 52.037 0.065 0.000 0.864 377 A CB -0.475 18.557 19.000 0.053 0.000 0.902 377 A HN 0.038 nan 8.150 nan 0.000 0.499 378 V N -1.554 118.424 119.914 0.107 0.000 2.948 378 V HA 0.078 4.200 4.120 0.002 0.000 0.234 378 V C 0.704 176.855 176.094 0.094 0.000 1.205 378 V CA 0.364 62.725 62.300 0.103 0.000 1.234 378 V CB 0.068 31.960 31.823 0.115 0.000 1.020 378 V HN 0.043 nan 8.190 nan 0.000 0.491 379 V N 4.099 124.045 119.914 0.053 0.000 2.338 379 V HA 0.285 4.406 4.120 0.002 0.000 0.255 379 V C -0.265 175.859 176.094 0.049 0.000 1.082 379 V CA 0.242 62.521 62.300 -0.035 0.000 0.951 379 V CB -0.049 31.600 31.823 -0.290 0.000 1.102 379 V HN 0.241 nan 8.190 nan 0.000 0.489 380 L N 3.685 124.997 121.223 0.148 0.000 2.322 380 L HA 0.544 4.886 4.340 0.002 0.000 0.279 380 L C 0.582 177.545 176.870 0.154 0.000 1.036 380 L CA -0.686 54.229 54.840 0.126 0.000 0.807 380 L CB 0.955 43.084 42.059 0.116 0.000 1.226 380 L HN 0.550 nan 8.230 nan 0.000 0.433 381 D N 1.660 122.122 120.400 0.103 0.000 2.737 381 D HA -0.110 4.532 4.640 0.002 0.000 0.238 381 D C -2.249 174.123 176.300 0.121 0.000 1.157 381 D CA -0.041 54.016 54.000 0.095 0.000 0.694 381 D CB -0.194 40.664 40.800 0.096 0.000 1.021 381 D HN 0.158 nan 8.370 nan 0.000 0.420 382 P HA 0.134 nan 4.420 nan 0.000 0.271 382 P C -0.104 177.223 177.300 0.046 0.000 1.220 382 P CA 0.273 63.440 63.100 0.112 0.000 0.768 382 P CB 0.611 32.336 31.700 0.041 0.000 0.848 383 R N 1.508 122.036 120.500 0.046 0.000 2.710 383 R HA 0.885 5.226 4.340 0.002 0.000 0.270 383 R C -1.049 175.218 176.300 -0.055 0.000 1.021 383 R CA -1.020 55.032 56.100 -0.079 0.000 0.889 383 R CB 1.505 31.711 30.300 -0.156 0.000 1.243 383 R HN 0.563 nan 8.270 nan 0.000 0.464 384 G N 0.755 109.451 108.800 -0.172 0.000 2.387 384 G HA2 0.420 4.381 3.960 0.002 0.000 0.294 384 G HA3 0.420 4.381 3.960 0.002 0.000 0.294 384 G C -1.958 172.975 174.900 0.055 0.000 1.509 384 G CA -1.013 44.099 45.100 0.020 0.000 0.806 384 G HN 0.580 nan 8.290 nan 0.000 0.546 385 R N 0.333 120.952 120.500 0.199 0.000 2.514 385 R HA 0.571 4.913 4.340 0.002 0.000 0.296 385 R C 0.886 177.248 176.300 0.103 0.000 1.012 385 R CA 0.785 56.974 56.100 0.147 0.000 0.897 385 R CB 1.250 31.675 30.300 0.208 0.000 1.184 385 R HN 2.274 nan 8.270 nan 0.000 0.440 386 G N 2.749 111.590 108.800 0.068 0.000 2.596 386 G HA2 -0.348 3.613 3.960 0.002 0.000 0.295 386 G HA3 -0.348 3.613 3.960 0.002 0.000 0.295 386 G C 0.136 175.080 174.900 0.073 0.000 1.240 386 G CA 0.089 45.224 45.100 0.058 0.000 0.985 386 G HN 0.450 nan 8.290 nan 0.000 0.555 387 L N 0.648 121.914 121.223 0.071 0.000 2.610 387 L HA 0.362 4.703 4.340 0.002 0.000 0.232 387 L C 2.006 178.936 176.870 0.100 0.000 1.149 387 L CA 0.876 55.764 54.840 0.080 0.000 0.872 387 L CB -0.630 41.468 42.059 0.065 0.000 0.992 387 L HN 0.564 nan 8.230 nan 0.000 0.447 388 M N -0.075 119.589 119.600 0.106 0.000 2.497 388 M HA 0.163 4.645 4.480 0.002 0.000 0.336 388 M C -1.011 175.398 176.300 0.181 0.000 1.378 388 M CA 0.093 55.471 55.300 0.131 0.000 1.375 388 M CB -0.135 32.530 32.600 0.108 0.000 1.337 388 M HN 0.100 nan 8.290 nan 0.000 0.461 389 C N 3.198 122.622 119.300 0.206 0.000 2.779 389 C HA 1.020 5.482 4.460 0.002 0.000 0.314 389 C C -0.209 174.988 174.990 0.344 0.000 1.231 389 C CA -0.640 58.515 59.018 0.229 0.000 1.652 389 C CB 1.633 29.451 27.740 0.131 0.000 2.198 389 C HN 0.891 nan 8.230 nan 0.000 0.483 390 A N 1.012 124.025 122.820 0.321 0.000 2.601 390 A HA 0.975 5.297 4.320 0.002 0.000 0.291 390 A C -1.423 176.356 177.584 0.324 0.000 1.075 390 A CA -0.434 51.766 52.037 0.271 0.000 0.671 390 A CB 1.102 20.174 19.000 0.121 0.000 1.277 390 A HN 1.517 nan 8.150 nan 0.000 0.417 391 F N -1.170 118.883 119.950 0.172 0.000 2.686 391 F HA 0.877 5.406 4.527 0.002 0.000 0.311 391 F C -0.426 175.411 175.800 0.062 0.000 1.128 391 F CA -0.762 57.303 58.000 0.108 0.000 0.946 391 F CB 1.179 40.251 39.000 0.121 0.000 1.336 391 F HN 0.461 nan 8.300 nan 0.000 0.457 392 S N 1.334 117.204 115.700 0.282 0.000 2.621 392 S HA 0.830 5.301 4.470 0.002 0.000 0.302 392 S C -0.860 173.879 174.600 0.231 0.000 1.093 392 S CA -0.672 57.609 58.200 0.135 0.000 1.017 392 S CB 1.880 65.135 63.200 0.093 0.000 1.077 392 S HN 0.602 nan 8.310 nan 0.000 0.517 393 L N 1.785 123.083 121.223 0.125 0.000 2.331 393 L HA 0.469 4.810 4.340 0.002 0.000 0.268 393 L C -1.696 175.223 176.870 0.080 0.000 1.015 393 L CA -2.024 52.891 54.840 0.126 0.000 0.807 393 L CB 0.611 42.731 42.059 0.101 0.000 1.293 393 L HN 0.379 nan 8.230 nan 0.000 0.451 394 P HA -0.079 nan 4.420 nan 0.000 0.215 394 P C -0.088 177.236 177.300 0.041 0.000 1.153 394 P CA 1.115 64.248 63.100 0.055 0.000 0.853 394 P CB 0.073 31.804 31.700 0.052 0.000 0.788 395 T N -6.689 107.885 114.554 0.034 0.000 2.887 395 T HA 0.376 4.727 4.350 0.002 0.000 0.292 395 T C 1.043 175.751 174.700 0.013 0.000 1.087 395 T CA 0.011 62.125 62.100 0.023 0.000 1.009 395 T CB 1.240 70.120 68.868 0.021 0.000 1.203 395 T HN -0.034 nan 8.240 nan 0.000 0.518 396 T N -0.869 113.688 114.554 0.005 0.000 2.951 396 T HA 0.075 4.426 4.350 0.002 0.000 0.268 396 T C 2.252 176.947 174.700 -0.009 0.000 1.073 396 T CA 1.242 63.338 62.100 -0.007 0.000 1.134 396 T CB -0.902 67.960 68.868 -0.010 0.000 0.884 396 T HN 0.864 nan 8.240 nan 0.000 0.479 397 A N 1.984 124.804 122.820 -0.001 0.000 1.902 397 A HA -0.094 4.227 4.320 0.002 0.000 0.217 397 A C 2.178 179.764 177.584 0.002 0.000 1.181 397 A CA 1.921 53.958 52.037 -0.000 0.000 0.623 397 A CB -0.859 18.144 19.000 0.005 0.000 0.818 397 A HN 0.551 nan 8.150 nan 0.000 0.443 398 D N -0.828 119.578 120.400 0.010 0.000 2.117 398 D HA -0.131 4.510 4.640 0.002 0.000 0.197 398 D C 2.119 178.425 176.300 0.010 0.000 0.987 398 D CA 0.894 54.904 54.000 0.018 0.000 0.829 398 D CB -0.350 40.469 40.800 0.032 0.000 0.961 398 D HN 0.272 nan 8.370 nan 0.000 0.460 399 R N 0.998 121.496 120.500 -0.004 0.000 2.073 399 R HA -0.130 4.212 4.340 0.002 0.000 0.234 399 R C 1.253 177.526 176.300 -0.045 0.000 1.134 399 R CA 1.343 57.423 56.100 -0.034 0.000 0.952 399 R CB -0.380 29.888 30.300 -0.053 0.000 0.850 399 R HN 0.117 nan 8.270 nan 0.000 0.433 400 D N 0.285 120.663 120.400 -0.037 0.000 2.117 400 D HA -0.158 4.483 4.640 0.002 0.000 0.197 400 D C 1.828 178.113 176.300 -0.024 0.000 0.987 400 D CA 1.068 55.044 54.000 -0.040 0.000 0.829 400 D CB -0.196 40.582 40.800 -0.036 0.000 0.961 400 D HN 0.227 nan 8.370 nan 0.000 0.460 401 E N 0.494 120.688 120.200 -0.009 0.000 2.077 401 E HA -0.120 4.231 4.350 0.002 0.000 0.193 401 E C 1.943 178.552 176.600 0.014 0.000 0.989 401 E CA 0.336 56.740 56.400 0.006 0.000 0.800 401 E CB -0.400 29.307 29.700 0.011 0.000 0.746 401 E HN 0.174 nan 8.360 nan 0.000 0.452 402 L N 0.230 121.459 121.223 0.011 0.000 2.083 402 L HA -0.075 4.266 4.340 0.002 0.000 0.209 402 L C 2.112 178.992 176.870 0.017 0.000 1.083 402 L CA 1.551 56.404 54.840 0.021 0.000 0.752 402 L CB -0.339 41.742 42.059 0.036 0.000 0.899 402 L HN 0.236 nan 8.230 nan 0.000 0.433 403 I N -1.022 119.542 120.570 -0.011 0.000 2.252 403 I HA -0.267 3.904 4.170 0.002 0.000 0.245 403 I C 2.628 178.780 176.117 0.058 0.000 1.102 403 I CA 1.029 62.324 61.300 -0.009 0.000 1.385 403 I CB -0.310 37.651 38.000 -0.064 0.000 1.064 403 I HN 0.246 nan 8.210 nan 0.000 0.414 404 R N 0.329 120.855 120.500 0.044 0.000 2.083 404 R HA -0.191 4.150 4.340 0.002 0.000 0.237 404 R C 2.379 178.769 176.300 0.150 0.000 1.137 404 R CA 1.257 57.412 56.100 0.091 0.000 0.951 404 R CB -0.306 30.019 30.300 0.042 0.000 0.851 404 R HN 0.388 nan 8.270 nan 0.000 0.434 405 Q N 0.365 120.222 119.800 0.094 0.000 2.096 405 Q HA -0.144 4.197 4.340 0.002 0.000 0.204 405 Q C 2.147 178.202 176.000 0.090 0.000 0.982 405 Q CA 1.189 57.041 55.803 0.081 0.000 0.850 405 Q CB -0.251 28.516 28.738 0.049 0.000 0.901 405 Q HN 0.206 nan 8.270 nan 0.000 0.422 406 L N -0.112 121.171 121.223 0.100 0.000 2.083 406 L HA -0.146 4.195 4.340 0.002 0.000 0.209 406 L C 1.968 178.921 176.870 0.138 0.000 1.083 406 L CA 1.370 56.270 54.840 0.099 0.000 0.752 406 L CB -1.222 40.890 42.059 0.088 0.000 0.899 406 L HN 0.453 nan 8.230 nan 0.000 0.433 407 W N 0.536 121.853 121.300 0.028 0.000 2.358 407 W HA -0.230 4.431 4.660 0.002 0.000 0.303 407 W C 2.151 178.730 176.519 0.101 0.000 1.208 407 W CA 1.366 58.756 57.345 0.076 0.000 1.274 407 W CB -0.093 29.387 29.460 0.033 0.000 1.138 407 W HN 0.320 nan 8.180 nan 0.000 0.515 408 Q N 0.036 119.892 119.800 0.094 0.000 2.170 408 Q HA -0.165 4.177 4.340 0.002 0.000 0.203 408 Q C 1.913 177.845 176.000 -0.113 0.000 0.976 408 Q CA 1.306 57.103 55.803 -0.011 0.000 0.858 408 Q CB -0.244 28.532 28.738 0.064 0.000 0.907 408 Q HN 0.252 nan 8.270 nan 0.000 0.433 409 R N -0.159 120.289 120.500 -0.087 0.000 2.335 409 R HA 0.246 4.587 4.340 0.002 0.000 0.223 409 R C 0.299 176.482 176.300 -0.196 0.000 0.940 409 R CA 0.433 56.468 56.100 -0.110 0.000 1.086 409 R CB 0.393 30.672 30.300 -0.036 0.000 1.073 409 R HN 0.152 nan 8.270 nan 0.000 0.504 410 A N 0.235 122.846 122.820 -0.348 0.000 2.791 410 A HA -0.145 4.176 4.320 0.002 0.000 0.292 410 A C -0.119 177.356 177.584 -0.182 0.000 1.487 410 A CA 0.576 52.267 52.037 -0.577 0.000 0.760 410 A CB -1.829 16.618 19.000 -0.921 0.000 1.031 410 A HN 0.103 nan 8.150 nan 0.000 0.503 411 V N 0.903 120.805 119.914 -0.020 0.000 2.444 411 V HA 0.515 4.636 4.120 0.002 0.000 0.294 411 V C 0.224 176.405 176.094 0.145 0.000 1.022 411 V CA -0.300 62.042 62.300 0.070 0.000 0.850 411 V CB 1.736 33.602 31.823 0.072 0.000 0.992 411 V HN 0.441 nan 8.190 nan 0.000 0.426 412 I N 6.404 127.068 120.570 0.157 0.000 2.297 412 I HA 0.535 4.707 4.170 0.002 0.000 0.291 412 I C 0.015 176.183 176.117 0.085 0.000 1.033 412 I CA -0.486 60.905 61.300 0.151 0.000 1.253 412 I CB 1.235 39.294 38.000 0.098 0.000 1.396 412 I HN 0.515 nan 8.210 nan 0.000 0.476 413 V N 4.619 124.540 119.914 0.011 0.000 3.074 413 V HA 0.646 4.768 4.120 0.002 0.000 0.314 413 V C -0.607 175.436 176.094 -0.085 0.000 1.117 413 V CA -0.989 61.261 62.300 -0.084 0.000 1.014 413 V CB 2.233 33.882 31.823 -0.291 0.000 1.057 413 V HN 0.536 nan 8.190 nan 0.000 0.438 414 L N 2.851 124.020 121.223 -0.090 0.000 2.325 414 L HA 0.637 4.979 4.340 0.002 0.000 0.278 414 L C -2.259 174.523 176.870 -0.146 0.000 1.023 414 L CA -1.843 52.955 54.840 -0.069 0.000 0.811 414 L CB 2.694 44.766 42.059 0.022 0.000 1.249 414 L HN 0.558 nan 8.230 nan 0.000 0.431 415 P HA 0.421 nan 4.420 nan 0.000 0.276 415 P C -1.485 175.741 177.300 -0.124 0.000 1.261 415 P CA -0.436 62.579 63.100 -0.142 0.000 0.800 415 P CB 1.547 33.177 31.700 -0.117 0.000 1.066 416 A N -0.400 122.347 122.820 -0.122 0.000 2.589 416 A HA 0.693 5.014 4.320 0.002 0.000 0.296 416 A C 0.123 177.654 177.584 -0.090 0.000 1.062 416 A CA -0.055 51.919 52.037 -0.106 0.000 0.686 416 A CB 0.865 19.801 19.000 -0.108 0.000 1.282 416 A HN 0.874 nan 8.150 nan 0.000 0.404 417 G N 0.344 109.101 108.800 -0.072 0.000 2.578 417 G HA2 0.165 4.127 3.960 0.002 0.000 0.275 417 G HA3 0.165 4.127 3.960 0.002 0.000 0.275 417 G C 1.217 176.092 174.900 -0.041 0.000 1.271 417 G CA 1.174 46.243 45.100 -0.051 0.000 0.941 417 G HN 2.319 nan 8.290 nan 0.000 0.564 418 A N -0.950 121.853 122.820 -0.029 0.000 1.970 418 A HA 0.365 4.687 4.320 0.002 0.000 0.216 418 A C 1.529 179.098 177.584 -0.026 0.000 1.170 418 A CA 2.401 54.427 52.037 -0.018 0.000 0.645 418 A CB -0.159 18.841 19.000 -0.000 0.000 0.816 418 A HN 1.648 nan 8.150 nan 0.000 0.447 419 D N -3.071 117.309 120.400 -0.035 0.000 2.783 419 D HA 0.166 4.807 4.640 0.002 0.000 0.306 419 D C -0.271 175.990 176.300 -0.066 0.000 1.633 419 D CA -0.105 53.874 54.000 -0.035 0.000 0.796 419 D CB -0.769 40.030 40.800 -0.002 0.000 1.230 419 D HN -0.018 nan 8.370 nan 0.000 0.441 420 T N 0.213 114.706 114.554 -0.101 0.000 2.867 420 T HA 0.592 4.943 4.350 0.002 0.000 0.282 420 T C -0.262 174.289 174.700 -0.248 0.000 1.000 420 T CA -0.555 61.451 62.100 -0.157 0.000 1.042 420 T CB 2.183 70.981 68.868 -0.117 0.000 0.973 420 T HN -0.068 nan 8.240 nan 0.000 0.465 421 V N 4.827 124.486 119.914 -0.424 0.000 2.409 421 V HA 0.498 4.619 4.120 0.002 0.000 0.291 421 V C 0.223 176.011 176.094 -0.510 0.000 1.020 421 V CA -0.989 60.985 62.300 -0.543 0.000 0.848 421 V CB 1.220 32.541 31.823 -0.836 0.000 0.990 421 V HN 0.799 nan 8.190 nan 0.000 0.430 422 R N 3.496 123.770 120.500 -0.377 0.000 2.604 422 R HA 0.692 5.033 4.340 0.002 0.000 0.287 422 R C -1.650 174.465 176.300 -0.308 0.000 0.970 422 R CA -0.528 55.445 56.100 -0.212 0.000 0.946 422 R CB 1.477 31.724 30.300 -0.087 0.000 1.127 422 R HN 0.386 nan 8.270 nan 0.000 0.473 423 F N 1.494 121.446 119.950 0.003 0.000 2.427 423 F HA 0.458 4.986 4.527 0.002 0.000 0.346 423 F C 0.584 176.403 175.800 0.032 0.000 1.120 423 F CA -0.924 57.096 58.000 0.033 0.000 1.033 423 F CB 1.608 40.644 39.000 0.060 0.000 1.126 423 F HN 0.278 nan 8.300 nan 0.000 0.462 424 R N 3.271 123.874 120.500 0.170 0.000 2.681 424 R HA 0.284 4.625 4.340 0.002 0.000 0.277 424 R C -2.978 173.359 176.300 0.062 0.000 1.563 424 R CA -1.845 54.310 56.100 0.091 0.000 1.673 424 R CB 0.509 30.825 30.300 0.026 0.000 1.258 424 R HN 0.288 nan 8.270 nan 0.000 0.650 425 P HA 0.246 nan 4.420 nan 0.000 0.274 425 P C -2.446 174.850 177.300 -0.008 0.000 1.246 425 P CA -1.459 61.664 63.100 0.038 0.000 0.795 425 P CB 0.204 31.941 31.700 0.062 0.000 1.006 426 P HA 0.149 nan 4.420 nan 0.000 0.272 426 P C 1.198 178.469 177.300 -0.048 0.000 1.240 426 P CA -0.167 62.904 63.100 -0.049 0.000 0.791 426 P CB 0.734 32.396 31.700 -0.063 0.000 0.978 427 L N 0.502 121.696 121.223 -0.048 0.000 2.353 427 L HA -0.120 4.221 4.340 0.002 0.000 0.220 427 L C 1.955 178.749 176.870 -0.126 0.000 1.133 427 L CA 1.966 56.769 54.840 -0.062 0.000 0.798 427 L CB -1.327 40.706 42.059 -0.043 0.000 0.922 427 L HN 0.504 nan 8.230 nan 0.000 0.445 428 T N -3.800 110.684 114.554 -0.118 0.000 3.107 428 T HA 0.103 4.455 4.350 0.002 0.000 0.249 428 T C 0.782 175.390 174.700 -0.152 0.000 1.096 428 T CA -0.300 61.716 62.100 -0.140 0.000 1.012 428 T CB -0.211 68.604 68.868 -0.087 0.000 0.977 428 T HN 0.016 nan 8.240 nan 0.000 0.527 429 V N 4.073 123.908 119.914 -0.132 0.000 2.752 429 V HA 0.222 4.344 4.120 0.002 0.000 0.306 429 V C 0.666 176.698 176.094 -0.103 0.000 1.099 429 V CA 0.169 62.419 62.300 -0.084 0.000 1.240 429 V CB 0.313 32.119 31.823 -0.028 0.000 0.887 429 V HN 0.821 nan 8.190 nan 0.000 0.499 430 S N 3.487 119.192 115.700 0.008 0.000 2.713 430 S HA 0.352 4.823 4.470 0.002 0.000 0.283 430 S C 1.227 175.900 174.600 0.122 0.000 1.161 430 S CA 0.027 58.282 58.200 0.091 0.000 0.999 430 S CB 1.514 64.749 63.200 0.059 0.000 1.039 430 S HN 1.053 nan 8.310 nan 0.000 0.548 431 T N -1.428 113.139 114.554 0.022 0.000 2.904 431 T HA 0.020 4.372 4.350 0.002 0.000 0.267 431 T C 1.987 176.660 174.700 -0.045 0.000 1.059 431 T CA 0.878 62.841 62.100 -0.228 0.000 1.137 431 T CB -0.970 67.434 68.868 -0.774 0.000 0.879 431 T HN 0.866 nan 8.240 nan 0.000 0.467 432 A N 2.017 124.834 122.820 -0.006 0.000 1.902 432 A HA -0.114 4.207 4.320 0.002 0.000 0.217 432 A C 2.298 179.934 177.584 0.087 0.000 1.181 432 A CA 1.753 53.819 52.037 0.048 0.000 0.623 432 A CB -0.783 18.242 19.000 0.042 0.000 0.818 432 A HN 0.626 nan 8.150 nan 0.000 0.443 433 E N -0.362 119.893 120.200 0.091 0.000 2.077 433 E HA -0.154 4.197 4.350 0.002 0.000 0.193 433 E C 1.856 178.510 176.600 0.090 0.000 0.989 433 E CA 1.294 57.748 56.400 0.092 0.000 0.800 433 E CB -0.290 29.441 29.700 0.051 0.000 0.746 433 E HN 0.700 nan 8.360 nan 0.000 0.452 434 I N 1.448 122.084 120.570 0.110 0.000 2.163 434 I HA -0.295 3.876 4.170 0.002 0.000 0.243 434 I C 1.828 178.023 176.117 0.131 0.000 1.085 434 I CA 1.100 62.478 61.300 0.130 0.000 1.347 434 I CB -0.241 37.885 38.000 0.209 0.000 1.044 434 I HN 0.072 nan 8.210 nan 0.000 0.408 435 D N 1.070 121.570 120.400 0.166 0.000 2.104 435 D HA -0.195 4.447 4.640 0.002 0.000 0.194 435 D C 2.253 178.609 176.300 0.094 0.000 0.994 435 D CA 1.723 55.803 54.000 0.133 0.000 0.830 435 D CB -0.285 40.599 40.800 0.139 0.000 0.959 435 D HN 0.384 nan 8.370 nan 0.000 0.452 436 A N 0.919 123.797 122.820 0.096 0.000 1.933 436 A HA -0.047 4.274 4.320 0.002 0.000 0.218 436 A C 2.305 179.944 177.584 0.093 0.000 1.175 436 A CA 2.206 54.296 52.037 0.089 0.000 0.628 436 A CB -0.601 18.462 19.000 0.104 0.000 0.814 436 A HN 0.249 nan 8.150 nan 0.000 0.444 437 A N -0.044 122.842 122.820 0.109 0.000 1.898 437 A HA -0.010 4.311 4.320 0.002 0.000 0.216 437 A C 1.977 179.659 177.584 0.164 0.000 1.181 437 A CA 1.513 53.643 52.037 0.155 0.000 0.620 437 A CB -0.425 18.704 19.000 0.216 0.000 0.819 437 A HN 0.394 nan 8.150 nan 0.000 0.442 438 I N 0.136 120.769 120.570 0.105 0.000 2.252 438 I HA -0.208 3.964 4.170 0.002 0.000 0.245 438 I C 2.910 179.063 176.117 0.059 0.000 1.102 438 I CA 1.361 62.701 61.300 0.066 0.000 1.385 438 I CB -1.660 36.339 38.000 -0.001 0.000 1.064 438 I HN 0.355 nan 8.210 nan 0.000 0.414 439 A N 1.014 123.870 122.820 0.060 0.000 1.940 439 A HA -0.126 4.196 4.320 0.002 0.000 0.219 439 A C 2.562 180.175 177.584 0.049 0.000 1.176 439 A CA 1.989 54.056 52.037 0.051 0.000 0.631 439 A CB -0.713 18.316 19.000 0.049 0.000 0.814 439 A HN 0.414 nan 8.150 nan 0.000 0.446 440 A N -0.730 122.127 122.820 0.061 0.000 1.969 440 A HA 0.059 4.380 4.320 0.002 0.000 0.218 440 A C 2.188 179.806 177.584 0.056 0.000 1.169 440 A CA 1.650 53.720 52.037 0.055 0.000 0.635 440 A CB -0.717 18.321 19.000 0.063 0.000 0.810 440 A HN 0.367 nan 8.150 nan 0.000 0.445 441 V N -0.108 119.853 119.914 0.079 0.000 2.379 441 V HA -0.218 3.903 4.120 0.002 0.000 0.245 441 V C 2.576 178.632 176.094 -0.063 0.000 1.044 441 V CA 2.008 64.345 62.300 0.061 0.000 1.036 441 V CB -0.772 31.146 31.823 0.157 0.000 0.664 441 V HN 0.514 nan 8.190 nan 0.000 0.453 442 R N -0.200 120.271 120.500 -0.050 0.000 2.096 442 R HA -0.138 4.203 4.340 0.002 0.000 0.235 442 R C 2.622 178.913 176.300 -0.015 0.000 1.127 442 R CA 1.659 57.727 56.100 -0.054 0.000 0.968 442 R CB -0.447 29.892 30.300 0.065 0.000 0.861 442 R HN 0.420 nan 8.270 nan 0.000 0.440 443 S N 0.413 116.118 115.700 0.008 0.000 2.356 443 S HA -0.123 4.349 4.470 0.002 0.000 0.223 443 S C 1.984 176.586 174.600 0.004 0.000 1.032 443 S CA 1.347 59.558 58.200 0.019 0.000 1.005 443 S CB -0.081 63.132 63.200 0.021 0.000 0.867 443 S HN 0.494 nan 8.310 nan 0.000 0.449 444 A N 0.851 123.664 122.820 -0.012 0.000 2.014 444 A HA 0.138 4.459 4.320 0.002 0.000 0.218 444 A C 2.050 179.611 177.584 -0.039 0.000 1.163 444 A CA 0.699 52.731 52.037 -0.008 0.000 0.652 444 A CB -0.517 18.490 19.000 0.012 0.000 0.808 444 A HN 0.442 nan 8.150 nan 0.000 0.449 445 L N -0.415 120.731 121.223 -0.128 0.000 1.994 445 L HA -0.125 4.216 4.340 0.002 0.000 0.208 445 L C -0.491 176.340 176.870 -0.066 0.000 1.071 445 L CA 1.602 56.312 54.840 -0.217 0.000 0.745 445 L CB -1.337 40.301 42.059 -0.701 0.000 0.892 445 L HN 0.230 nan 8.230 nan 0.000 0.431 446 P HA -0.130 nan 4.420 nan 0.000 0.219 446 P C 1.777 179.111 177.300 0.057 0.000 1.146 446 P CA 1.048 64.209 63.100 0.102 0.000 0.808 446 P CB 0.049 31.823 31.700 0.124 0.000 0.779 447 V N -0.138 119.796 119.914 0.033 0.000 2.379 447 V HA -0.166 3.956 4.120 0.002 0.000 0.245 447 V C 2.558 178.668 176.094 0.026 0.000 1.044 447 V CA 1.926 64.243 62.300 0.029 0.000 1.036 447 V CB -1.415 30.423 31.823 0.024 0.000 0.664 447 V HN 0.084 nan 8.190 nan 0.000 0.453 448 V N -0.050 119.875 119.914 0.020 0.000 2.453 448 V HA -0.076 4.046 4.120 0.002 0.000 0.247 448 V C 1.694 177.807 176.094 0.031 0.000 1.048 448 V CA 1.550 63.863 62.300 0.022 0.000 1.049 448 V CB -1.356 30.477 31.823 0.017 0.000 0.672 448 V HN 0.676 nan 8.190 nan 0.000 0.457 449 T N 0.000 114.579 114.554 0.042 0.000 3.816 449 T HA 0.000 4.351 4.350 0.002 0.000 0.228 449 T CA 0.000 62.134 62.100 0.056 0.000 1.349 449 T CB 0.000 68.921 68.868 0.089 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658