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 1yii_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKYTRGTVTA FSPFDARADA EALRKAMKGM GTDEETILKI LTSRNNAQRQ DATA SEQUENCE EIASAFKTLF GRDLVDDLKS ELTGKFETLM VSLMRPARIF DAHALKHAIK DATA SEQUENCE GAGTNEKVLT EILASRTPAE VQNIKQVYMQ EYEANLEDKI TGETSGHFQR DATA SEQUENCE LLVVLLQANR DPDGRVDEAL VEKDAQVLFR AGELKWGTDE ETFITILGTR DATA SEQUENCE SVSHLRRVFD KYMTISGFQI EETIDRETSG DLEKLLLAVV KCIRSVPAYF DATA SEQUENCE AETLYYSMKG AGTDDDTLIR VMVSRSEIDL LDIRHEFRKN FAKSLYQMIQ DATA SEQUENCE KDTSGDYRKA LLLLCG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.636 177.584 0.087 0.000 1.274 2 A CA 0.000 52.072 52.037 0.059 0.000 0.836 2 A CB 0.000 19.026 19.000 0.044 0.000 0.831 3 K N 1.098 121.551 120.400 0.089 0.000 2.561 3 K HA -0.000 4.320 4.320 0.001 0.000 0.280 3 K C -1.184 175.517 176.600 0.169 0.000 0.975 3 K CA 0.437 56.793 56.287 0.114 0.000 1.024 3 K CB -0.046 32.507 32.500 0.088 0.000 0.883 3 K HN 0.429 nan 8.250 nan 0.000 0.496 4 Y N 2.916 123.237 120.300 0.034 0.000 2.335 4 Y HA 0.292 4.843 4.550 0.001 0.000 0.338 4 Y C -0.497 175.423 175.900 0.033 0.000 0.977 4 Y CA -0.428 57.690 58.100 0.030 0.000 1.114 4 Y CB 1.116 39.591 38.460 0.025 0.000 1.182 4 Y HN 0.721 nan 8.280 nan 0.000 0.463 5 T N 4.138 118.438 114.554 -0.423 0.000 2.940 5 T HA 0.625 4.976 4.350 0.001 0.000 0.288 5 T C -0.874 173.481 174.700 -0.574 0.000 1.033 5 T CA -1.116 60.761 62.100 -0.372 0.000 1.033 5 T CB 2.021 70.791 68.868 -0.163 0.000 1.079 5 T HN 0.795 nan 8.240 nan 0.000 0.496 6 R N 0.336 120.626 120.500 -0.349 0.000 2.599 6 R HA 0.654 4.995 4.340 0.001 0.000 0.295 6 R C 0.271 176.459 176.300 -0.187 0.000 0.963 6 R CA -0.607 55.327 56.100 -0.277 0.000 0.883 6 R CB 1.488 31.673 30.300 -0.191 0.000 1.171 6 R HN 0.982 nan 8.270 nan 0.000 0.450 7 G N -0.240 108.469 108.800 -0.153 0.000 2.537 7 G HA2 0.216 4.177 3.960 0.001 0.000 0.297 7 G HA3 0.216 4.177 3.960 0.001 0.000 0.297 7 G C 0.472 175.309 174.900 -0.105 0.000 1.310 7 G CA -0.071 44.952 45.100 -0.129 0.000 1.027 7 G HN 0.674 nan 8.290 nan 0.000 0.505 8 T N -3.514 110.983 114.554 -0.095 0.000 3.010 8 T HA 0.289 4.640 4.350 0.001 0.000 0.257 8 T C 0.203 174.872 174.700 -0.051 0.000 1.020 8 T CA -0.037 62.021 62.100 -0.069 0.000 0.938 8 T CB 0.312 69.138 68.868 -0.070 0.000 1.049 8 T HN 0.227 nan 8.240 nan 0.000 0.522 9 V N 3.369 123.247 119.914 -0.061 0.000 2.409 9 V HA 0.632 4.753 4.120 0.001 0.000 0.291 9 V C 0.245 176.314 176.094 -0.042 0.000 1.020 9 V CA -0.640 61.632 62.300 -0.047 0.000 0.848 9 V CB 1.290 33.073 31.823 -0.065 0.000 0.990 9 V HN 0.667 nan 8.190 nan 0.000 0.430 10 T N 1.936 116.479 114.554 -0.018 0.000 2.942 10 T HA 0.830 5.181 4.350 0.001 0.000 0.289 10 T C 0.109 174.805 174.700 -0.008 0.000 1.044 10 T CA -0.466 61.623 62.100 -0.017 0.000 1.023 10 T CB 1.885 70.748 68.868 -0.008 0.000 1.123 10 T HN 0.972 nan 8.240 nan 0.000 0.512 11 A N 1.398 124.201 122.820 -0.029 0.000 2.520 11 A HA 0.444 4.765 4.320 0.001 0.000 0.245 11 A C -0.173 177.424 177.584 0.020 0.000 1.072 11 A CA -0.460 51.550 52.037 -0.045 0.000 0.761 11 A CB -0.739 18.214 19.000 -0.079 0.000 1.004 11 A HN 0.779 nan 8.150 nan 0.000 0.499 12 F N 2.779 122.671 119.950 -0.098 0.000 2.410 12 F HA 0.493 5.020 4.527 0.001 0.000 0.334 12 F C 0.669 176.499 175.800 0.050 0.000 1.134 12 F CA 0.778 58.774 58.000 -0.007 0.000 1.227 12 F CB 0.991 40.015 39.000 0.040 0.000 1.194 12 F HN 0.502 nan 8.300 nan 0.000 0.571 13 S N 5.622 120.810 115.700 -0.853 0.000 2.546 13 S HA 0.557 5.028 4.470 0.001 0.000 0.272 13 S C -2.910 171.252 174.600 -0.730 0.000 1.140 13 S CA -1.191 56.710 58.200 -0.500 0.000 0.920 13 S CB 1.285 64.339 63.200 -0.244 0.000 1.083 13 S HN 0.597 nan 8.310 nan 0.000 0.476 14 P HA 0.334 nan 4.420 nan 0.000 0.286 14 P C -1.198 176.216 177.300 0.189 0.000 1.269 14 P CA -0.371 62.707 63.100 -0.037 0.000 0.787 14 P CB 0.327 32.028 31.700 0.001 0.000 0.920 15 F N 3.053 123.056 119.950 0.088 0.000 2.404 15 F HA 0.341 4.868 4.527 0.001 0.000 0.345 15 F C -0.105 175.772 175.800 0.128 0.000 1.110 15 F CA -0.559 57.559 58.000 0.196 0.000 1.130 15 F CB 0.778 39.874 39.000 0.159 0.000 1.129 15 F HN 0.195 nan 8.300 nan 0.000 0.500 16 D N 4.985 125.044 120.400 -0.569 0.000 2.358 16 D HA 0.339 4.980 4.640 0.001 0.000 0.253 16 D C 0.543 176.389 176.300 -0.757 0.000 1.288 16 D CA -0.028 53.653 54.000 -0.532 0.000 0.950 16 D CB 1.615 42.306 40.800 -0.183 0.000 1.197 16 D HN 0.674 nan 8.370 nan 0.000 0.550 17 A N 4.137 126.347 122.820 -1.017 0.000 1.908 17 A HA -0.194 4.127 4.320 0.001 0.000 0.218 17 A C 2.032 179.503 177.584 -0.188 0.000 1.181 17 A CA 1.209 52.914 52.037 -0.552 0.000 0.627 17 A CB -0.107 18.756 19.000 -0.228 0.000 0.818 17 A HN 0.571 nan 8.150 nan 0.000 0.445 18 R N -0.693 119.710 120.500 -0.162 0.000 2.075 18 R HA -0.030 4.310 4.340 0.001 0.000 0.232 18 R C 2.506 178.786 176.300 -0.034 0.000 1.126 18 R CA 1.138 57.192 56.100 -0.077 0.000 0.963 18 R CB -0.452 29.795 30.300 -0.089 0.000 0.858 18 R HN 0.513 nan 8.270 nan 0.000 0.435 19 A N 1.497 124.279 122.820 -0.063 0.000 1.902 19 A HA -0.185 4.136 4.320 0.001 0.000 0.217 19 A C 1.513 179.108 177.584 0.018 0.000 1.181 19 A CA 1.744 53.772 52.037 -0.015 0.000 0.623 19 A CB -0.345 18.639 19.000 -0.027 0.000 0.818 19 A HN 0.146 nan 8.150 nan 0.000 0.443 20 D N 0.068 120.461 120.400 -0.012 0.000 2.144 20 D HA -0.029 4.612 4.640 0.001 0.000 0.199 20 D C 2.218 178.586 176.300 0.112 0.000 0.984 20 D CA 1.461 55.481 54.000 0.033 0.000 0.834 20 D CB -0.411 40.411 40.800 0.037 0.000 0.955 20 D HN 0.417 nan 8.370 nan 0.000 0.465 21 A N 1.008 123.925 122.820 0.162 0.000 1.902 21 A HA -0.204 4.117 4.320 0.001 0.000 0.217 21 A C 2.055 179.917 177.584 0.465 0.000 1.181 21 A CA 1.461 53.719 52.037 0.369 0.000 0.623 21 A CB -0.512 18.702 19.000 0.357 0.000 0.818 21 A HN 0.212 nan 8.150 nan 0.000 0.443 22 E N -0.201 120.185 120.200 0.311 0.000 2.077 22 E HA -0.105 4.246 4.350 0.001 0.000 0.193 22 E C 2.296 179.013 176.600 0.196 0.000 0.989 22 E CA 0.933 57.523 56.400 0.316 0.000 0.800 22 E CB -0.290 29.527 29.700 0.195 0.000 0.746 22 E HN 0.624 nan 8.360 nan 0.000 0.452 23 A N 1.208 124.111 122.820 0.139 0.000 1.898 23 A HA -0.136 4.185 4.320 0.001 0.000 0.216 23 A C 2.194 179.833 177.584 0.090 0.000 1.181 23 A CA 0.964 53.053 52.037 0.086 0.000 0.620 23 A CB -0.569 18.463 19.000 0.053 0.000 0.819 23 A HN 0.118 nan 8.150 nan 0.000 0.442 24 L N -1.138 120.162 121.223 0.128 0.000 2.056 24 L HA -0.168 4.173 4.340 0.001 0.000 0.207 24 L C 2.758 179.721 176.870 0.155 0.000 1.078 24 L CA 1.619 56.521 54.840 0.104 0.000 0.749 24 L CB -0.413 41.673 42.059 0.045 0.000 0.901 24 L HN 0.377 nan 8.230 nan 0.000 0.433 25 R N 1.090 121.745 120.500 0.260 0.000 2.081 25 R HA -0.193 4.147 4.340 0.001 0.000 0.235 25 R C 2.193 178.456 176.300 -0.062 0.000 1.131 25 R CA 1.711 57.843 56.100 0.052 0.000 0.960 25 R CB -0.392 29.583 30.300 -0.542 0.000 0.856 25 R HN 0.204 nan 8.270 nan 0.000 0.436 26 K N -0.496 119.891 120.400 -0.022 0.000 2.097 26 K HA -0.065 4.256 4.320 0.001 0.000 0.206 26 K C 1.712 178.309 176.600 -0.005 0.000 1.049 26 K CA 1.444 57.718 56.287 -0.021 0.000 0.933 26 K CB -0.233 32.272 32.500 0.010 0.000 0.717 26 K HN 0.253 nan 8.250 nan 0.000 0.442 27 A N 0.515 123.345 122.820 0.017 0.000 2.067 27 A HA -0.056 4.265 4.320 0.001 0.000 0.219 27 A C 1.866 179.460 177.584 0.017 0.000 1.158 27 A CA 1.217 53.266 52.037 0.019 0.000 0.661 27 A CB -0.217 18.801 19.000 0.030 0.000 0.801 27 A HN 0.360 nan 8.150 nan 0.000 0.452 28 M N -1.385 118.223 119.600 0.015 0.000 2.571 28 M HA 0.139 4.620 4.480 0.001 0.000 0.259 28 M C 0.857 177.153 176.300 -0.007 0.000 1.205 28 M CA 0.106 55.414 55.300 0.014 0.000 1.138 28 M CB 0.097 32.717 32.600 0.034 0.000 1.329 28 M HN 0.190 nan 8.290 nan 0.000 0.503 29 K N 1.932 122.312 120.400 -0.035 0.000 2.489 29 K HA 0.268 4.589 4.320 0.001 0.000 0.278 29 K C 0.218 176.799 176.600 -0.032 0.000 1.000 29 K CA 0.919 57.173 56.287 -0.054 0.000 1.012 29 K CB 0.197 32.639 32.500 -0.097 0.000 0.903 29 K HN 0.321 nan 8.250 nan 0.000 0.485 30 G N 3.159 111.942 108.800 -0.027 0.000 2.781 30 G HA2 -0.250 3.710 3.960 0.001 0.000 0.683 30 G HA3 -0.250 3.710 3.960 0.001 0.000 0.683 30 G C -0.256 174.638 174.900 -0.010 0.000 1.390 30 G CA -0.563 44.526 45.100 -0.018 0.000 0.850 30 G HN 0.667 nan 8.290 nan 0.000 0.557 31 M N 1.360 120.956 119.600 -0.008 0.000 2.248 31 M HA 0.359 4.840 4.480 0.001 0.000 0.343 31 M C 1.436 177.734 176.300 -0.003 0.000 1.243 31 M CA 2.159 57.456 55.300 -0.005 0.000 1.025 31 M CB -0.224 32.373 32.600 -0.005 0.000 1.759 31 M HN 2.603 nan 8.290 nan 0.000 0.452 32 G N 2.605 111.405 108.800 -0.001 0.000 2.725 32 G HA2 -0.149 3.812 3.960 0.001 0.000 0.220 32 G HA3 -0.149 3.812 3.960 0.001 0.000 0.220 32 G C -0.842 174.062 174.900 0.005 0.000 1.357 32 G CA -0.548 44.552 45.100 0.000 0.000 0.866 32 G HN 0.802 nan 8.290 nan 0.000 0.548 33 T N -0.200 114.358 114.554 0.006 0.000 2.932 33 T HA 0.499 4.849 4.350 0.001 0.000 0.318 33 T C -1.377 173.329 174.700 0.010 0.000 1.265 33 T CA -0.061 62.049 62.100 0.017 0.000 1.036 33 T CB 2.044 70.935 68.868 0.039 0.000 1.209 33 T HN 0.862 nan 8.240 nan 0.000 0.484 34 D N 1.472 121.882 120.400 0.017 0.000 2.518 34 D HA 0.286 4.927 4.640 0.001 0.000 0.230 34 D C 0.851 177.168 176.300 0.029 0.000 1.138 34 D CA -0.453 53.553 54.000 0.010 0.000 0.964 34 D CB 0.702 41.508 40.800 0.011 0.000 1.011 34 D HN 0.409 nan 8.370 nan 0.000 0.517 35 E N 1.337 121.544 120.200 0.012 0.000 2.153 35 E HA -0.191 4.160 4.350 0.001 0.000 0.194 35 E C 1.535 178.164 176.600 0.049 0.000 0.988 35 E CA 0.915 57.340 56.400 0.042 0.000 0.811 35 E CB 0.071 29.649 29.700 -0.204 0.000 0.746 35 E HN 0.653 nan 8.360 nan 0.000 0.466 36 E N 0.047 120.238 120.200 -0.014 0.000 2.058 36 E HA -0.216 4.135 4.350 0.001 0.000 0.194 36 E C 1.642 178.262 176.600 0.032 0.000 0.997 36 E CA 1.794 58.193 56.400 -0.002 0.000 0.801 36 E CB -0.007 29.681 29.700 -0.019 0.000 0.746 36 E HN 0.189 nan 8.360 nan 0.000 0.450 37 T N 1.075 115.646 114.554 0.028 0.000 2.746 37 T HA -0.122 4.229 4.350 0.001 0.000 0.267 37 T C 1.878 176.599 174.700 0.034 0.000 1.039 37 T CA 1.330 63.444 62.100 0.024 0.000 1.142 37 T CB -0.181 68.699 68.868 0.020 0.000 0.866 37 T HN 0.192 nan 8.240 nan 0.000 0.444 38 I N 1.406 122.016 120.570 0.067 0.000 2.179 38 I HA -0.190 3.981 4.170 0.001 0.000 0.242 38 I C 2.316 178.477 176.117 0.074 0.000 1.088 38 I CA 1.249 62.589 61.300 0.067 0.000 1.357 38 I CB -0.518 37.549 38.000 0.111 0.000 1.051 38 I HN 0.262 nan 8.210 nan 0.000 0.409 39 L N -0.423 120.905 121.223 0.175 0.000 2.141 39 L HA -0.088 4.253 4.340 0.001 0.000 0.209 39 L C 2.210 179.113 176.870 0.056 0.000 1.094 39 L CA 1.614 56.551 54.840 0.161 0.000 0.763 39 L CB -0.978 41.276 42.059 0.325 0.000 0.908 39 L HN -0.004 nan 8.230 nan 0.000 0.437 40 K N 0.461 120.881 120.400 0.033 0.000 2.057 40 K HA -0.032 4.289 4.320 0.001 0.000 0.207 40 K C 2.134 178.697 176.600 -0.061 0.000 1.049 40 K CA 1.951 58.232 56.287 -0.010 0.000 0.931 40 K CB -0.361 32.132 32.500 -0.012 0.000 0.714 40 K HN 0.388 nan 8.250 nan 0.000 0.440 41 I N 1.039 121.569 120.570 -0.067 0.000 2.193 41 I HA -0.252 3.919 4.170 0.001 0.000 0.240 41 I C 2.166 178.225 176.117 -0.096 0.000 1.084 41 I CA 1.086 62.317 61.300 -0.115 0.000 1.365 41 I CB -0.199 37.755 38.000 -0.077 0.000 1.064 41 I HN 0.105 nan 8.210 nan 0.000 0.410 42 L N 0.422 121.607 121.223 -0.064 0.000 2.191 42 L HA -0.165 4.176 4.340 0.001 0.000 0.212 42 L C 2.616 179.446 176.870 -0.067 0.000 1.103 42 L CA 1.830 56.628 54.840 -0.069 0.000 0.769 42 L CB -0.980 41.028 42.059 -0.084 0.000 0.908 42 L HN 0.461 nan 8.230 nan 0.000 0.438 43 T N -4.817 109.705 114.554 -0.053 0.000 3.081 43 T HA -0.025 4.326 4.350 0.001 0.000 0.255 43 T C 1.727 176.403 174.700 -0.039 0.000 1.113 43 T CA 0.719 62.792 62.100 -0.045 0.000 1.082 43 T CB 0.000 68.853 68.868 -0.026 0.000 0.939 43 T HN 0.368 nan 8.240 nan 0.000 0.506 44 S N -0.450 115.217 115.700 -0.055 0.000 2.511 44 S HA 0.406 4.877 4.470 0.001 0.000 0.214 44 S C 0.584 175.179 174.600 -0.009 0.000 0.997 44 S CA -0.759 57.426 58.200 -0.026 0.000 0.908 44 S CB 0.110 63.269 63.200 -0.069 0.000 0.803 44 S HN 0.197 nan 8.310 nan 0.000 0.504 45 R N 3.407 123.868 120.500 -0.065 0.000 2.474 45 R HA 0.528 4.869 4.340 0.001 0.000 0.295 45 R C -0.020 176.234 176.300 -0.076 0.000 0.980 45 R CA -0.682 55.385 56.100 -0.055 0.000 0.934 45 R CB 0.624 30.887 30.300 -0.062 0.000 1.101 45 R HN 0.553 nan 8.270 nan 0.000 0.469 46 N N 0.674 119.310 118.700 -0.107 0.000 2.364 46 N HA -0.011 4.730 4.740 0.001 0.000 0.264 46 N C 0.494 175.936 175.510 -0.112 0.000 1.263 46 N CA -0.274 52.713 53.050 -0.104 0.000 0.959 46 N CB 0.250 38.677 38.487 -0.100 0.000 1.204 46 N HN 0.504 nan 8.380 nan 0.000 0.550 47 N N -0.563 118.078 118.700 -0.097 0.000 2.069 47 N HA -0.192 4.549 4.740 0.001 0.000 0.191 47 N C 1.378 176.844 175.510 -0.074 0.000 1.031 47 N CA 1.709 54.710 53.050 -0.081 0.000 0.852 47 N CB -0.358 38.083 38.487 -0.077 0.000 1.018 47 N HN 0.705 nan 8.380 nan 0.000 0.423 48 A N 0.991 123.760 122.820 -0.085 0.000 1.902 48 A HA -0.168 4.153 4.320 0.001 0.000 0.217 48 A C 2.181 179.705 177.584 -0.100 0.000 1.181 48 A CA 1.315 53.307 52.037 -0.075 0.000 0.623 48 A CB -0.617 18.338 19.000 -0.076 0.000 0.818 48 A HN 0.495 nan 8.150 nan 0.000 0.443 49 Q N -0.748 118.922 119.800 -0.216 0.000 2.124 49 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 49 Q C 2.311 178.287 176.000 -0.041 0.000 0.977 49 Q CA 1.406 56.989 55.803 -0.367 0.000 0.850 49 Q CB -0.178 28.075 28.738 -0.808 0.000 0.901 49 Q HN 0.627 nan 8.270 nan 0.000 0.429 50 R N 0.246 120.720 120.500 -0.044 0.000 2.096 50 R HA -0.141 4.200 4.340 0.001 0.000 0.235 50 R C 2.232 178.550 176.300 0.030 0.000 1.127 50 R CA 1.063 57.166 56.100 0.004 0.000 0.968 50 R CB -0.046 30.231 30.300 -0.037 0.000 0.861 50 R HN 0.267 nan 8.270 nan 0.000 0.440 51 Q N 0.662 120.475 119.800 0.020 0.000 2.119 51 Q HA -0.133 4.208 4.340 0.001 0.000 0.201 51 Q C 1.737 177.784 176.000 0.078 0.000 0.972 51 Q CA 1.343 57.166 55.803 0.034 0.000 0.847 51 Q CB -0.064 28.685 28.738 0.019 0.000 0.903 51 Q HN 0.505 nan 8.270 nan 0.000 0.433 52 E N 0.301 120.576 120.200 0.124 0.000 2.106 52 E HA -0.072 4.279 4.350 0.001 0.000 0.192 52 E C 2.071 178.791 176.600 0.200 0.000 0.984 52 E CA 0.477 56.991 56.400 0.190 0.000 0.806 52 E CB -0.035 29.862 29.700 0.328 0.000 0.750 52 E HN 0.318 nan 8.360 nan 0.000 0.458 53 I N 1.047 121.755 120.570 0.230 0.000 2.252 53 I HA -0.238 3.933 4.170 0.001 0.000 0.245 53 I C 2.549 178.755 176.117 0.149 0.000 1.102 53 I CA 0.809 62.219 61.300 0.183 0.000 1.385 53 I CB -0.270 37.829 38.000 0.166 0.000 1.064 53 I HN 0.067 nan 8.210 nan 0.000 0.414 54 A N -0.186 122.692 122.820 0.097 0.000 1.902 54 A HA -0.252 4.069 4.320 0.001 0.000 0.217 54 A C 2.497 180.175 177.584 0.156 0.000 1.181 54 A CA 2.298 54.387 52.037 0.086 0.000 0.623 54 A CB -0.797 18.222 19.000 0.031 0.000 0.818 54 A HN 0.402 nan 8.150 nan 0.000 0.443 55 S N -0.557 115.214 115.700 0.118 0.000 2.368 55 S HA 0.004 4.474 4.470 0.001 0.000 0.224 55 S C 2.175 176.831 174.600 0.093 0.000 1.029 55 S CA 1.488 59.745 58.200 0.096 0.000 0.988 55 S CB -0.463 62.779 63.200 0.071 0.000 0.838 55 S HN 0.807 nan 8.310 nan 0.000 0.462 56 A N 0.414 123.293 122.820 0.098 0.000 1.933 56 A HA 0.023 4.344 4.320 0.001 0.000 0.218 56 A C 1.957 179.575 177.584 0.055 0.000 1.175 56 A CA 1.449 53.514 52.037 0.047 0.000 0.628 56 A CB -1.047 17.974 19.000 0.036 0.000 0.814 56 A HN 0.654 nan 8.150 nan 0.000 0.444 57 F N 0.571 120.533 119.950 0.020 0.000 2.095 57 F HA -0.168 4.360 4.527 0.000 0.000 0.298 57 F C 2.229 178.082 175.800 0.087 0.000 1.104 57 F CA 2.313 60.382 58.000 0.115 0.000 1.232 57 F CB -0.089 39.010 39.000 0.166 0.000 0.987 57 F HN 0.199 nan 8.300 nan 0.000 0.475 58 K N -0.802 119.741 120.400 0.240 0.000 2.148 58 K HA -0.120 4.201 4.320 0.001 0.000 0.204 58 K C 1.917 178.503 176.600 -0.023 0.000 1.050 58 K CA 1.732 58.089 56.287 0.118 0.000 0.942 58 K CB -0.233 32.351 32.500 0.140 0.000 0.724 58 K HN 0.221 nan 8.250 nan 0.000 0.446 59 T N 1.355 115.875 114.554 -0.057 0.000 2.777 59 T HA -0.054 4.297 4.350 0.001 0.000 0.266 59 T C 1.673 176.236 174.700 -0.228 0.000 1.040 59 T CA 1.076 63.112 62.100 -0.107 0.000 1.141 59 T CB -0.032 68.786 68.868 -0.084 0.000 0.868 59 T HN 0.140 nan 8.240 nan 0.000 0.444 60 L N -0.670 120.299 121.223 -0.422 0.000 2.109 60 L HA 0.085 4.426 4.340 0.001 0.000 0.207 60 L C 1.637 177.980 176.870 -0.879 0.000 1.086 60 L CA 1.230 55.604 54.840 -0.777 0.000 0.760 60 L CB -0.224 41.059 42.059 -1.293 0.000 0.910 60 L HN 0.258 nan 8.230 nan 0.000 0.437 61 F N -1.292 118.512 119.950 -0.245 0.000 2.728 61 F HA 0.376 4.903 4.527 0.001 0.000 0.314 61 F C 1.662 177.356 175.800 -0.176 0.000 1.094 61 F CA 0.055 57.896 58.000 -0.266 0.000 1.217 61 F CB -0.264 38.439 39.000 -0.495 0.000 1.056 61 F HN 0.031 nan 8.300 nan 0.000 0.577 62 G N 1.550 110.344 108.800 -0.010 0.000 2.179 62 G HA2 -0.309 3.652 3.960 0.001 0.000 0.257 62 G HA3 -0.309 3.652 3.960 0.001 0.000 0.257 62 G C 0.295 175.230 174.900 0.058 0.000 1.010 62 G CA 0.020 45.132 45.100 0.020 0.000 0.736 62 G HN 0.385 nan 8.290 nan 0.000 0.513 63 R N -0.616 119.934 120.500 0.084 0.000 2.832 63 R HA 0.558 4.899 4.340 0.001 0.000 0.271 63 R C -1.127 175.368 176.300 0.324 0.000 0.996 63 R CA -0.885 55.314 56.100 0.165 0.000 0.977 63 R CB 1.216 31.603 30.300 0.144 0.000 1.168 63 R HN 0.194 nan 8.270 nan 0.000 0.482 64 D N 1.210 121.782 120.400 0.287 0.000 2.317 64 D HA 0.068 4.708 4.640 0.001 0.000 0.234 64 D C 0.744 177.165 176.300 0.201 0.000 1.112 64 D CA -0.467 53.673 54.000 0.234 0.000 0.840 64 D CB 1.155 42.026 40.800 0.118 0.000 1.078 64 D HN 0.291 nan 8.370 nan 0.000 0.486 65 L N 4.717 125.969 121.223 0.048 0.000 2.012 65 L HA -0.132 4.209 4.340 0.001 0.000 0.210 65 L C 1.618 178.352 176.870 -0.227 0.000 1.073 65 L CA 1.734 56.310 54.840 -0.440 0.000 0.748 65 L CB -0.406 41.277 42.059 -0.627 0.000 0.891 65 L HN 0.517 nan 8.230 nan 0.000 0.431 66 V N -0.283 119.562 119.914 -0.116 0.000 2.358 66 V HA -0.255 3.866 4.120 0.001 0.000 0.246 66 V C 2.298 178.360 176.094 -0.052 0.000 1.047 66 V CA 1.840 64.086 62.300 -0.090 0.000 1.035 66 V CB -0.801 30.983 31.823 -0.065 0.000 0.658 66 V HN 0.436 nan 8.190 nan 0.000 0.452 67 D N 0.124 120.517 120.400 -0.011 0.000 2.117 67 D HA -0.163 4.478 4.640 0.001 0.000 0.197 67 D C 1.904 178.210 176.300 0.010 0.000 0.987 67 D CA 1.437 55.444 54.000 0.011 0.000 0.829 67 D CB -0.283 40.541 40.800 0.040 0.000 0.961 67 D HN 0.412 nan 8.370 nan 0.000 0.460 68 D N 0.077 120.489 120.400 0.019 0.000 2.117 68 D HA -0.061 4.580 4.640 0.001 0.000 0.198 68 D C 2.336 178.625 176.300 -0.018 0.000 0.982 68 D CA 0.290 54.305 54.000 0.026 0.000 0.828 68 D CB -0.292 40.560 40.800 0.087 0.000 0.967 68 D HN 0.214 nan 8.370 nan 0.000 0.464 69 L N 0.468 121.650 121.223 -0.068 0.000 2.083 69 L HA -0.162 4.179 4.340 0.001 0.000 0.209 69 L C 2.274 179.114 176.870 -0.050 0.000 1.083 69 L CA 1.180 55.974 54.840 -0.078 0.000 0.752 69 L CB -0.233 41.749 42.059 -0.129 0.000 0.899 69 L HN -0.016 nan 8.230 nan 0.000 0.433 70 K N -0.234 120.140 120.400 -0.043 0.000 2.097 70 K HA -0.131 4.190 4.320 0.001 0.000 0.205 70 K C 2.339 178.934 176.600 -0.008 0.000 1.050 70 K CA 1.647 57.918 56.287 -0.028 0.000 0.938 70 K CB -0.140 32.348 32.500 -0.021 0.000 0.718 70 K HN 0.383 nan 8.250 nan 0.000 0.442 71 S N 0.827 116.527 115.700 -0.000 0.000 2.414 71 S HA -0.040 4.431 4.470 0.001 0.000 0.227 71 S C 1.741 176.349 174.600 0.013 0.000 1.022 71 S CA 0.588 58.794 58.200 0.009 0.000 0.958 71 S CB 0.032 63.240 63.200 0.015 0.000 0.797 71 S HN 0.164 nan 8.310 nan 0.000 0.493 72 E N 1.135 121.344 120.200 0.015 0.000 2.122 72 E HA 0.246 4.597 4.350 0.001 0.000 0.190 72 E C 0.688 177.316 176.600 0.048 0.000 0.977 72 E CA 0.341 56.758 56.400 0.028 0.000 0.820 72 E CB -0.071 29.646 29.700 0.029 0.000 0.770 72 E HN 0.565 nan 8.360 nan 0.000 0.462 73 L N 0.471 121.723 121.223 0.049 0.000 2.365 73 L HA 0.397 4.738 4.340 0.001 0.000 0.267 73 L C 0.559 177.465 176.870 0.060 0.000 1.033 73 L CA -0.622 54.275 54.840 0.094 0.000 0.802 73 L CB 1.620 43.738 42.059 0.098 0.000 1.267 73 L HN -0.050 nan 8.230 nan 0.000 0.457 74 T N -2.529 112.076 114.554 0.086 0.000 2.841 74 T HA 0.730 5.081 4.350 0.001 0.000 0.296 74 T C 0.145 174.866 174.700 0.036 0.000 1.166 74 T CA -0.125 61.999 62.100 0.039 0.000 1.007 74 T CB 1.538 70.420 68.868 0.024 0.000 1.253 74 T HN 1.145 nan 8.240 nan 0.000 0.511 75 G N 1.386 110.179 108.800 -0.011 0.000 2.574 75 G HA2 -0.303 3.658 3.960 0.001 0.000 0.282 75 G HA3 -0.303 3.658 3.960 0.001 0.000 0.282 75 G C 0.605 175.443 174.900 -0.104 0.000 1.257 75 G CA 0.654 45.722 45.100 -0.054 0.000 0.956 75 G HN 1.016 nan 8.290 nan 0.000 0.560 76 K N -0.823 119.439 120.400 -0.229 0.000 2.097 76 K HA 0.028 4.349 4.320 0.001 0.000 0.206 76 K C 2.335 178.779 176.600 -0.260 0.000 1.049 76 K CA 1.724 57.730 56.287 -0.468 0.000 0.933 76 K CB -0.149 31.644 32.500 -1.179 0.000 0.717 76 K HN 0.337 nan 8.250 nan 0.000 0.442 77 F N 2.742 122.571 119.950 -0.202 0.000 2.134 77 F HA -0.204 4.325 4.527 0.003 0.000 0.299 77 F C 2.417 178.209 175.800 -0.013 0.000 1.097 77 F CA 1.488 59.488 58.000 -0.001 0.000 1.264 77 F CB -0.118 38.892 39.000 0.018 0.000 1.001 77 F HN 0.039 nan 8.300 nan 0.000 0.479 78 E N -0.101 120.056 120.200 -0.070 0.000 2.051 78 E HA -0.188 4.163 4.350 0.001 0.000 0.192 78 E C 2.053 178.553 176.600 -0.167 0.000 0.991 78 E CA 2.070 58.377 56.400 -0.154 0.000 0.799 78 E CB -0.474 29.195 29.700 -0.051 0.000 0.748 78 E HN 0.396 nan 8.360 nan 0.000 0.449 79 T N 2.108 116.593 114.554 -0.115 0.000 2.720 79 T HA -0.187 4.164 4.350 0.001 0.000 0.268 79 T C 1.886 176.541 174.700 -0.074 0.000 1.037 79 T CA 1.403 63.451 62.100 -0.087 0.000 1.144 79 T CB -0.350 68.476 68.868 -0.070 0.000 0.864 79 T HN 0.113 nan 8.240 nan 0.000 0.444 80 L N 0.717 121.901 121.223 -0.064 0.000 2.027 80 L HA 0.008 4.349 4.340 0.001 0.000 0.206 80 L C 2.217 179.004 176.870 -0.138 0.000 1.074 80 L CA 1.732 56.554 54.840 -0.030 0.000 0.745 80 L CB -0.667 41.448 42.059 0.093 0.000 0.898 80 L HN 0.134 nan 8.230 nan 0.000 0.433 81 M N -1.317 118.101 119.600 -0.303 0.000 2.117 81 M HA -0.139 4.342 4.480 0.001 0.000 0.262 81 M C 2.297 178.479 176.300 -0.197 0.000 1.065 81 M CA 1.436 56.544 55.300 -0.321 0.000 1.114 81 M CB -1.243 31.046 32.600 -0.519 0.000 1.361 81 M HN 0.159 nan 8.290 nan 0.000 0.408 82 V N -0.405 119.404 119.914 -0.174 0.000 2.427 82 V HA -0.205 3.916 4.120 0.001 0.000 0.248 82 V C 2.489 178.526 176.094 -0.096 0.000 1.051 82 V CA 1.695 63.917 62.300 -0.131 0.000 1.048 82 V CB -0.758 30.992 31.823 -0.121 0.000 0.666 82 V HN 0.430 nan 8.190 nan 0.000 0.456 83 S N -0.179 115.488 115.700 -0.055 0.000 2.383 83 S HA -0.059 4.412 4.470 0.001 0.000 0.227 83 S C 1.892 176.536 174.600 0.072 0.000 1.026 83 S CA 1.256 59.491 58.200 0.058 0.000 0.981 83 S CB -0.284 63.003 63.200 0.145 0.000 0.818 83 S HN 0.458 nan 8.310 nan 0.000 0.472 84 L N 0.767 121.977 121.223 -0.022 0.000 2.083 84 L HA -0.087 4.254 4.340 0.001 0.000 0.209 84 L C 2.378 179.217 176.870 -0.052 0.000 1.083 84 L CA 0.838 55.644 54.840 -0.056 0.000 0.752 84 L CB -0.385 41.621 42.059 -0.088 0.000 0.899 84 L HN 0.334 nan 8.230 nan 0.000 0.433 85 M N -0.704 118.858 119.600 -0.063 0.000 2.394 85 M HA -0.078 4.403 4.480 0.001 0.000 0.264 85 M C 1.174 177.451 176.300 -0.038 0.000 1.073 85 M CA 0.758 56.020 55.300 -0.063 0.000 1.111 85 M CB -1.005 31.541 32.600 -0.091 0.000 1.401 85 M HN 0.097 nan 8.290 nan 0.000 0.448 86 R N 1.883 122.374 120.500 -0.016 0.000 2.484 86 R HA 0.049 4.390 4.340 0.001 0.000 0.293 86 R C -2.309 174.023 176.300 0.052 0.000 1.023 86 R CA -1.215 54.884 56.100 -0.001 0.000 1.037 86 R CB 0.209 30.503 30.300 -0.010 0.000 0.951 86 R HN -0.047 nan 8.270 nan 0.000 0.418 87 P HA -0.076 nan 4.420 nan 0.000 0.262 87 P C -0.279 177.066 177.300 0.075 0.000 1.182 87 P CA 0.381 63.500 63.100 0.032 0.000 0.761 87 P CB 0.981 32.693 31.700 0.019 0.000 0.795 88 A N 5.534 128.378 122.820 0.040 0.000 1.948 88 A HA -0.268 4.053 4.320 0.001 0.000 0.220 88 A C 2.049 179.684 177.584 0.085 0.000 1.177 88 A CA 1.947 54.008 52.037 0.039 0.000 0.636 88 A CB -0.935 18.053 19.000 -0.019 0.000 0.815 88 A HN 0.684 nan 8.150 nan 0.000 0.449 89 R N 0.439 120.976 120.500 0.061 0.000 2.152 89 R HA -0.044 4.297 4.340 0.001 0.000 0.232 89 R C 1.722 178.075 176.300 0.089 0.000 1.117 89 R CA 1.838 57.976 56.100 0.063 0.000 0.981 89 R CB -0.742 29.578 30.300 0.034 0.000 0.870 89 R HN 0.712 nan 8.270 nan 0.000 0.451 90 I N -3.750 116.880 120.570 0.101 0.000 4.018 90 I HA 0.237 4.408 4.170 0.001 0.000 0.337 90 I C 1.518 177.741 176.117 0.177 0.000 1.327 90 I CA -0.347 61.017 61.300 0.108 0.000 1.100 90 I CB -0.134 37.893 38.000 0.045 0.000 1.025 90 I HN -0.086 nan 8.210 nan 0.000 0.396 91 F N 3.213 123.197 119.950 0.056 0.000 2.065 91 F HA -0.277 4.251 4.527 0.001 0.000 0.298 91 F C 1.997 177.886 175.800 0.148 0.000 1.112 91 F CA 2.319 60.356 58.000 0.062 0.000 1.212 91 F CB -0.071 38.939 39.000 0.016 0.000 0.975 91 F HN 0.115 nan 8.300 nan 0.000 0.476 92 D N 0.162 120.780 120.400 0.362 0.000 2.117 92 D HA -0.116 4.525 4.640 0.001 0.000 0.198 92 D C 2.357 178.805 176.300 0.246 0.000 0.982 92 D CA 1.370 55.541 54.000 0.286 0.000 0.828 92 D CB -0.780 40.184 40.800 0.272 0.000 0.967 92 D HN 0.373 nan 8.370 nan 0.000 0.464 93 A N 0.775 123.769 122.820 0.290 0.000 1.908 93 A HA -0.251 4.070 4.320 0.001 0.000 0.218 93 A C 2.113 179.970 177.584 0.454 0.000 1.181 93 A CA 1.805 54.106 52.037 0.440 0.000 0.627 93 A CB -0.936 18.286 19.000 0.370 0.000 0.818 93 A HN 0.386 nan 8.150 nan 0.000 0.445 94 H N 0.148 119.355 119.070 0.229 0.000 2.353 94 H HA -0.052 4.503 4.556 -0.001 0.000 0.300 94 H C 2.247 177.592 175.328 0.028 0.000 1.090 94 H CA 1.844 57.970 56.048 0.130 0.000 1.327 94 H CB -0.329 29.416 29.762 -0.029 0.000 1.383 94 H HN 0.386 nan 8.280 nan 0.000 0.508 95 A N 1.446 124.282 122.820 0.027 0.000 1.902 95 A HA -0.097 4.224 4.320 0.001 0.000 0.217 95 A C 2.920 180.531 177.584 0.044 0.000 1.181 95 A CA 1.358 53.374 52.037 -0.036 0.000 0.623 95 A CB -0.891 18.086 19.000 -0.039 0.000 0.818 95 A HN 0.436 nan 8.150 nan 0.000 0.443 96 L N -0.627 120.671 121.223 0.125 0.000 2.093 96 L HA -0.189 4.152 4.340 0.001 0.000 0.208 96 L C 2.634 179.585 176.870 0.134 0.000 1.085 96 L CA 1.849 56.770 54.840 0.135 0.000 0.755 96 L CB -0.431 41.722 42.059 0.157 0.000 0.904 96 L HN 0.492 nan 8.230 nan 0.000 0.435 97 K N -0.158 120.345 120.400 0.172 0.000 2.026 97 K HA -0.224 4.097 4.320 0.001 0.000 0.208 97 K C 1.999 178.493 176.600 -0.178 0.000 1.048 97 K CA 1.730 58.006 56.287 -0.019 0.000 0.929 97 K CB -0.074 32.121 32.500 -0.508 0.000 0.713 97 K HN 0.336 nan 8.250 nan 0.000 0.439 98 H N -0.678 118.228 119.070 -0.274 0.000 2.529 98 H HA 0.106 4.662 4.556 0.000 0.000 0.277 98 H C 1.568 176.829 175.328 -0.111 0.000 0.999 98 H CA 0.949 56.860 56.048 -0.229 0.000 1.256 98 H CB 0.177 29.756 29.762 -0.306 0.000 1.402 98 H HN 0.363 nan 8.280 nan 0.000 0.566 99 A N 0.672 123.512 122.820 0.034 0.000 2.067 99 A HA 0.036 4.357 4.320 0.001 0.000 0.217 99 A C 1.985 179.580 177.584 0.019 0.000 1.156 99 A CA 1.107 53.168 52.037 0.040 0.000 0.683 99 A CB -0.417 18.620 19.000 0.063 0.000 0.808 99 A HN 0.557 nan 8.150 nan 0.000 0.455 100 I N -4.969 115.597 120.570 -0.007 0.000 4.181 100 I HA 0.288 4.459 4.170 0.001 0.000 0.331 100 I C 0.616 176.705 176.117 -0.047 0.000 1.312 100 I CA -0.233 61.058 61.300 -0.016 0.000 1.146 100 I CB 0.142 38.134 38.000 -0.013 0.000 1.074 100 I HN -0.096 nan 8.210 nan 0.000 0.402 101 K N 3.227 123.568 120.400 -0.098 0.000 2.249 101 K HA 0.480 4.801 4.320 0.001 0.000 0.280 101 K C 0.352 176.893 176.600 -0.100 0.000 1.033 101 K CA 1.159 57.365 56.287 -0.135 0.000 0.946 101 K CB 0.797 33.137 32.500 -0.267 0.000 1.005 101 K HN 0.541 nan 8.250 nan 0.000 0.469 102 G N 2.085 110.838 108.800 -0.078 0.000 2.698 102 G HA2 -0.124 3.837 3.960 0.001 0.000 0.225 102 G HA3 -0.124 3.837 3.960 0.001 0.000 0.225 102 G C -0.715 174.164 174.900 -0.034 0.000 1.345 102 G CA -0.336 44.731 45.100 -0.055 0.000 0.871 102 G HN 0.867 nan 8.290 nan 0.000 0.540 103 A N -0.241 122.564 122.820 -0.025 0.000 2.407 103 A HA 0.854 5.175 4.320 0.001 0.000 0.248 103 A C 1.765 179.343 177.584 -0.010 0.000 1.082 103 A CA 1.930 53.958 52.037 -0.015 0.000 0.785 103 A CB -0.010 18.982 19.000 -0.013 0.000 1.020 103 A HN 2.948 nan 8.150 nan 0.000 0.489 104 G N 0.477 109.275 108.800 -0.004 0.000 2.855 104 G HA2 0.148 4.109 3.960 0.001 0.000 0.352 104 G HA3 0.148 4.109 3.960 0.001 0.000 0.352 104 G C -0.239 174.667 174.900 0.010 0.000 1.415 104 G CA -0.113 44.989 45.100 0.003 0.000 0.871 104 G HN 1.579 nan 8.290 nan 0.000 0.543 105 T N -0.171 114.396 114.554 0.022 0.000 2.912 105 T HA 0.490 4.841 4.350 0.001 0.000 0.299 105 T C 0.159 174.888 174.700 0.048 0.000 1.052 105 T CA -0.427 61.698 62.100 0.041 0.000 0.996 105 T CB 1.712 70.624 68.868 0.072 0.000 1.070 105 T HN 0.780 nan 8.240 nan 0.000 0.465 106 N N 1.574 120.309 118.700 0.058 0.000 2.719 106 N HA 0.140 4.881 4.740 0.001 0.000 0.243 106 N C 0.759 176.331 175.510 0.103 0.000 1.104 106 N CA -0.319 52.770 53.050 0.064 0.000 0.981 106 N CB 0.471 38.995 38.487 0.061 0.000 1.290 106 N HN 0.448 nan 8.380 nan 0.000 0.513 107 E N 1.514 121.775 120.200 0.102 0.000 2.153 107 E HA -0.228 4.123 4.350 0.001 0.000 0.194 107 E C 1.639 178.340 176.600 0.169 0.000 0.988 107 E CA 0.983 57.486 56.400 0.172 0.000 0.811 107 E CB 0.141 29.828 29.700 -0.021 0.000 0.746 107 E HN 0.528 nan 8.360 nan 0.000 0.466 108 K N 0.610 121.072 120.400 0.104 0.000 2.032 108 K HA -0.155 4.166 4.320 0.001 0.000 0.209 108 K C 1.907 178.601 176.600 0.157 0.000 1.048 108 K CA 1.416 57.773 56.287 0.116 0.000 0.927 108 K CB -0.068 32.485 32.500 0.088 0.000 0.712 108 K HN 0.025 nan 8.250 nan 0.000 0.441 109 V N 1.910 121.912 119.914 0.146 0.000 2.358 109 V HA -0.246 3.875 4.120 0.001 0.000 0.246 109 V C 2.374 178.565 176.094 0.162 0.000 1.047 109 V CA 1.558 63.953 62.300 0.158 0.000 1.035 109 V CB -0.372 31.527 31.823 0.127 0.000 0.658 109 V HN 0.326 nan 8.190 nan 0.000 0.452 110 L N -0.366 120.948 121.223 0.152 0.000 2.012 110 L HA -0.204 4.137 4.340 0.001 0.000 0.210 110 L C 2.635 179.584 176.870 0.131 0.000 1.073 110 L CA 2.095 57.010 54.840 0.124 0.000 0.748 110 L CB -1.122 41.011 42.059 0.123 0.000 0.891 110 L HN 0.349 nan 8.230 nan 0.000 0.431 111 T N -1.032 113.639 114.554 0.196 0.000 2.708 111 T HA -0.236 4.115 4.350 0.001 0.000 0.266 111 T C 1.793 176.576 174.700 0.139 0.000 1.037 111 T CA 1.557 63.766 62.100 0.181 0.000 1.146 111 T CB -0.135 68.867 68.868 0.224 0.000 0.865 111 T HN 0.370 nan 8.240 nan 0.000 0.435 112 E N 0.451 120.775 120.200 0.206 0.000 2.058 112 E HA -0.132 4.219 4.350 0.001 0.000 0.194 112 E C 2.154 178.904 176.600 0.250 0.000 0.997 112 E CA 1.163 57.735 56.400 0.287 0.000 0.801 112 E CB -0.198 29.720 29.700 0.363 0.000 0.746 112 E HN 0.487 nan 8.360 nan 0.000 0.450 113 I N 0.577 121.282 120.570 0.224 0.000 2.233 113 I HA -0.251 3.920 4.170 0.001 0.000 0.243 113 I C 2.414 178.605 176.117 0.125 0.000 1.093 113 I CA 0.777 62.200 61.300 0.205 0.000 1.380 113 I CB -0.148 37.967 38.000 0.191 0.000 1.067 113 I HN 0.188 nan 8.210 nan 0.000 0.413 114 L N 0.435 121.704 121.223 0.075 0.000 2.275 114 L HA -0.112 4.229 4.340 0.001 0.000 0.215 114 L C 2.625 179.494 176.870 -0.002 0.000 1.119 114 L CA 0.866 55.723 54.840 0.028 0.000 0.790 114 L CB -0.474 41.581 42.059 -0.007 0.000 0.919 114 L HN 0.233 nan 8.230 nan 0.000 0.443 115 A N -0.608 122.193 122.820 -0.032 0.000 1.975 115 A HA -0.091 4.230 4.320 0.001 0.000 0.215 115 A C 2.387 179.884 177.584 -0.145 0.000 1.170 115 A CA 1.309 53.275 52.037 -0.119 0.000 0.656 115 A CB -0.213 18.646 19.000 -0.233 0.000 0.821 115 A HN 0.445 nan 8.150 nan 0.000 0.449 116 S N -1.446 114.207 115.700 -0.079 0.000 2.502 116 S HA 0.268 4.739 4.470 0.001 0.000 0.215 116 S C 0.786 175.454 174.600 0.112 0.000 1.009 116 S CA -0.392 57.807 58.200 -0.002 0.000 0.908 116 S CB 0.027 63.288 63.200 0.102 0.000 0.801 116 S HN 0.271 nan 8.310 nan 0.000 0.505 117 R N 3.435 123.999 120.500 0.107 0.000 2.490 117 R HA 0.448 4.789 4.340 0.001 0.000 0.278 117 R C 0.642 176.983 176.300 0.068 0.000 1.069 117 R CA 0.127 56.290 56.100 0.106 0.000 1.080 117 R CB 0.464 30.829 30.300 0.108 0.000 1.030 117 R HN 0.506 nan 8.270 nan 0.000 0.491 118 T N -0.314 114.280 114.554 0.067 0.000 2.828 118 T HA 0.209 4.560 4.350 0.001 0.000 0.290 118 T C -1.675 173.050 174.700 0.041 0.000 1.019 118 T CA -1.480 60.650 62.100 0.050 0.000 1.031 118 T CB 0.861 69.758 68.868 0.049 0.000 1.001 118 T HN 0.278 nan 8.240 nan 0.000 0.531 119 P HA -0.051 nan 4.420 nan 0.000 0.215 119 P C 1.692 179.010 177.300 0.030 0.000 1.153 119 P CA 1.588 64.704 63.100 0.026 0.000 0.853 119 P CB -0.319 31.393 31.700 0.021 0.000 0.788 120 A N -0.093 122.747 122.820 0.032 0.000 1.902 120 A HA -0.244 4.077 4.320 0.001 0.000 0.217 120 A C 2.128 179.737 177.584 0.041 0.000 1.181 120 A CA 1.736 53.793 52.037 0.033 0.000 0.623 120 A CB -1.208 17.811 19.000 0.032 0.000 0.818 120 A HN 0.190 nan 8.150 nan 0.000 0.443 121 E N -0.440 119.789 120.200 0.048 0.000 2.106 121 E HA -0.109 4.242 4.350 0.001 0.000 0.192 121 E C 1.945 178.584 176.600 0.065 0.000 0.984 121 E CA 1.223 57.659 56.400 0.060 0.000 0.806 121 E CB -0.233 29.509 29.700 0.070 0.000 0.750 121 E HN 0.404 nan 8.360 nan 0.000 0.458 122 V N 1.479 121.426 119.914 0.055 0.000 2.427 122 V HA -0.235 3.886 4.120 0.001 0.000 0.248 122 V C 2.322 178.442 176.094 0.044 0.000 1.051 122 V CA 1.437 63.767 62.300 0.050 0.000 1.048 122 V CB -0.407 31.436 31.823 0.034 0.000 0.666 122 V HN 0.239 nan 8.190 nan 0.000 0.456 123 Q N 0.087 119.910 119.800 0.038 0.000 2.084 123 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 123 Q C 2.269 178.295 176.000 0.043 0.000 0.978 123 Q CA 1.663 57.486 55.803 0.034 0.000 0.844 123 Q CB -0.760 27.994 28.738 0.028 0.000 0.898 123 Q HN 0.754 nan 8.270 nan 0.000 0.426 124 N N 0.727 119.457 118.700 0.050 0.000 2.120 124 N HA -0.129 4.611 4.740 0.001 0.000 0.188 124 N C 1.940 177.495 175.510 0.076 0.000 1.024 124 N CA 0.789 53.872 53.050 0.055 0.000 0.852 124 N CB -0.038 38.482 38.487 0.055 0.000 1.003 124 N HN 0.210 nan 8.380 nan 0.000 0.424 125 I N 1.354 121.979 120.570 0.092 0.000 2.163 125 I HA -0.281 3.890 4.170 0.001 0.000 0.243 125 I C 2.415 178.619 176.117 0.146 0.000 1.085 125 I CA 1.303 62.681 61.300 0.130 0.000 1.347 125 I CB -0.174 37.901 38.000 0.125 0.000 1.044 125 I HN 0.155 nan 8.210 nan 0.000 0.408 126 K N 0.295 120.751 120.400 0.093 0.000 2.057 126 K HA -0.209 4.112 4.320 0.001 0.000 0.207 126 K C 2.170 178.834 176.600 0.107 0.000 1.049 126 K CA 1.388 57.725 56.287 0.083 0.000 0.931 126 K CB -0.187 32.333 32.500 0.034 0.000 0.714 126 K HN 0.433 nan 8.250 nan 0.000 0.440 127 Q N 0.341 120.187 119.800 0.077 0.000 2.079 127 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 127 Q C 2.219 178.251 176.000 0.054 0.000 0.974 127 Q CA 1.270 57.107 55.803 0.058 0.000 0.840 127 Q CB -0.068 28.692 28.738 0.038 0.000 0.898 127 Q HN 0.089 nan 8.270 nan 0.000 0.430 128 V N 0.109 120.058 119.914 0.058 0.000 2.427 128 V HA -0.268 3.853 4.120 0.001 0.000 0.248 128 V C 1.886 177.960 176.094 -0.033 0.000 1.051 128 V CA 1.718 64.022 62.300 0.006 0.000 1.048 128 V CB -0.636 31.202 31.823 0.024 0.000 0.666 128 V HN 0.352 nan 8.190 nan 0.000 0.456 129 Y N 0.012 120.302 120.300 -0.017 0.000 2.128 129 Y HA -0.325 4.224 4.550 -0.002 0.000 0.284 129 Y C 2.517 178.420 175.900 0.005 0.000 1.154 129 Y CA 2.492 60.619 58.100 0.045 0.000 1.149 129 Y CB -0.211 38.337 38.460 0.145 0.000 0.976 129 Y HN 0.276 nan 8.280 nan 0.000 0.505 130 M N 0.442 120.171 119.600 0.215 0.000 2.086 130 M HA -0.240 4.241 4.480 0.001 0.000 0.261 130 M C 1.986 178.290 176.300 0.007 0.000 1.067 130 M CA 1.892 57.270 55.300 0.130 0.000 1.116 130 M CB -0.637 32.023 32.600 0.101 0.000 1.348 130 M HN 0.341 nan 8.290 nan 0.000 0.407 131 Q N -0.417 119.360 119.800 -0.038 0.000 2.061 131 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 131 Q C 2.025 177.928 176.000 -0.162 0.000 0.984 131 Q CA 1.693 57.450 55.803 -0.078 0.000 0.846 131 Q CB -0.324 28.373 28.738 -0.069 0.000 0.902 131 Q HN 0.542 nan 8.270 nan 0.000 0.421 132 E N -0.161 119.838 120.200 -0.335 0.000 2.076 132 E HA -0.100 4.251 4.350 0.001 0.000 0.190 132 E C 1.321 177.589 176.600 -0.554 0.000 0.979 132 E CA 1.111 57.175 56.400 -0.560 0.000 0.807 132 E CB 0.092 29.201 29.700 -0.985 0.000 0.761 132 E HN 0.472 nan 8.360 nan 0.000 0.454 133 Y N 0.441 120.630 120.300 -0.186 0.000 2.507 133 Y HA 0.252 4.808 4.550 0.010 0.000 0.254 133 Y C 0.039 175.887 175.900 -0.087 0.000 1.171 133 Y CA -0.582 57.395 58.100 -0.206 0.000 1.238 133 Y CB -0.049 38.122 38.460 -0.481 0.000 1.148 133 Y HN -0.045 nan 8.280 nan 0.000 0.525 134 E N -0.034 120.192 120.200 0.044 0.000 2.328 134 E HA -0.145 4.206 4.350 0.001 0.000 0.233 134 E C -0.127 176.537 176.600 0.108 0.000 1.219 134 E CA 0.493 56.929 56.400 0.061 0.000 0.717 134 E CB -1.227 28.498 29.700 0.042 0.000 1.210 134 E HN 0.413 nan 8.360 nan 0.000 0.381 135 A N 0.998 123.929 122.820 0.184 0.000 2.572 135 A HA 0.526 4.847 4.320 0.001 0.000 0.295 135 A C -0.775 176.971 177.584 0.270 0.000 1.072 135 A CA -0.725 51.446 52.037 0.224 0.000 0.691 135 A CB 1.511 20.683 19.000 0.287 0.000 1.291 135 A HN 0.139 nan 8.150 nan 0.000 0.404 136 N N 1.648 120.435 118.700 0.146 0.000 2.408 136 N HA 0.110 4.851 4.740 0.001 0.000 0.257 136 N C 0.727 176.216 175.510 -0.034 0.000 1.064 136 N CA -0.427 52.664 53.050 0.070 0.000 0.952 136 N CB 1.124 39.627 38.487 0.027 0.000 1.093 136 N HN 0.664 nan 8.380 nan 0.000 0.490 137 L N 4.985 126.101 121.223 -0.178 0.000 2.043 137 L HA -0.144 4.197 4.340 0.001 0.000 0.212 137 L C 2.165 178.865 176.870 -0.284 0.000 1.075 137 L CA 1.941 56.466 54.840 -0.525 0.000 0.752 137 L CB -0.703 40.995 42.059 -0.602 0.000 0.891 137 L HN 0.742 nan 8.230 nan 0.000 0.432 138 E N -0.852 119.252 120.200 -0.161 0.000 2.058 138 E HA -0.263 4.088 4.350 0.001 0.000 0.194 138 E C 1.713 178.256 176.600 -0.095 0.000 0.997 138 E CA 1.614 57.946 56.400 -0.115 0.000 0.801 138 E CB -0.089 29.566 29.700 -0.075 0.000 0.746 138 E HN 0.583 nan 8.360 nan 0.000 0.450 139 D N 0.240 120.598 120.400 -0.070 0.000 2.178 139 D HA -0.147 4.494 4.640 0.001 0.000 0.201 139 D C 1.832 178.101 176.300 -0.051 0.000 0.980 139 D CA 0.799 54.771 54.000 -0.047 0.000 0.842 139 D CB -0.024 40.763 40.800 -0.021 0.000 0.948 139 D HN 0.098 nan 8.370 nan 0.000 0.472 140 K N 0.711 121.068 120.400 -0.072 0.000 2.057 140 K HA 0.005 4.326 4.320 0.001 0.000 0.206 140 K C 2.386 178.940 176.600 -0.077 0.000 1.050 140 K CA 0.283 56.532 56.287 -0.063 0.000 0.935 140 K CB -0.454 32.002 32.500 -0.074 0.000 0.715 140 K HN 0.280 nan 8.250 nan 0.000 0.439 141 I N 1.522 122.023 120.570 -0.115 0.000 2.252 141 I HA -0.254 3.917 4.170 0.001 0.000 0.245 141 I C 2.416 178.482 176.117 -0.085 0.000 1.102 141 I CA 1.769 63.004 61.300 -0.107 0.000 1.385 141 I CB -0.751 37.164 38.000 -0.142 0.000 1.064 141 I HN 0.257 nan 8.210 nan 0.000 0.414 142 T N -1.548 112.958 114.554 -0.080 0.000 2.881 142 T HA -0.072 4.279 4.350 0.001 0.000 0.270 142 T C 1.873 176.548 174.700 -0.041 0.000 1.068 142 T CA 1.147 63.209 62.100 -0.063 0.000 1.131 142 T CB -0.831 68.003 68.868 -0.056 0.000 0.871 142 T HN 0.435 nan 8.240 nan 0.000 0.479 143 G N 0.700 109.478 108.800 -0.035 0.000 2.511 143 G HA2 0.022 3.983 3.960 0.001 0.000 0.217 143 G HA3 0.022 3.983 3.960 0.001 0.000 0.217 143 G C 1.473 176.365 174.900 -0.013 0.000 1.133 143 G CA 0.114 45.201 45.100 -0.022 0.000 0.792 143 G HN 0.470 nan 8.290 nan 0.000 0.539 144 E N 0.215 120.407 120.200 -0.012 0.000 2.498 144 E HA 0.112 4.463 4.350 0.001 0.000 0.203 144 E C 0.923 177.544 176.600 0.036 0.000 1.013 144 E CA 0.287 56.691 56.400 0.007 0.000 0.927 144 E CB 0.689 30.391 29.700 0.003 0.000 1.012 144 E HN 0.496 nan 8.360 nan 0.000 0.482 145 T N -2.667 111.904 114.554 0.028 0.000 2.888 145 T HA 0.706 5.057 4.350 0.001 0.000 0.288 145 T C -0.094 174.640 174.700 0.057 0.000 1.063 145 T CA -0.873 61.276 62.100 0.082 0.000 1.010 145 T CB 2.453 71.331 68.868 0.016 0.000 1.214 145 T HN -0.108 nan 8.240 nan 0.000 0.533 146 S N -1.284 114.482 115.700 0.110 0.000 2.607 146 S HA 0.736 5.207 4.470 0.001 0.000 0.273 146 S C 0.508 175.143 174.600 0.058 0.000 1.148 146 S CA 0.579 58.811 58.200 0.052 0.000 0.833 146 S CB 0.847 64.069 63.200 0.037 0.000 1.130 146 S HN 2.287 nan 8.310 nan 0.000 0.470 147 G N 2.919 111.700 108.800 -0.031 0.000 2.578 147 G HA2 -0.275 3.686 3.960 0.001 0.000 0.275 147 G HA3 -0.275 3.686 3.960 0.001 0.000 0.275 147 G C 0.526 175.365 174.900 -0.102 0.000 1.271 147 G CA 0.714 45.736 45.100 -0.129 0.000 0.941 147 G HN 0.935 nan 8.290 nan 0.000 0.564 148 H N -0.696 118.423 119.070 0.080 0.000 2.387 148 H HA -0.063 4.494 4.556 0.001 0.000 0.299 148 H C 2.374 177.777 175.328 0.126 0.000 1.099 148 H CA 2.070 58.162 56.048 0.073 0.000 1.315 148 H CB -0.323 29.485 29.762 0.078 0.000 1.380 148 H HN 0.435 nan 8.280 nan 0.000 0.513 149 F N 2.094 122.114 119.950 0.115 0.000 2.102 149 F HA -0.211 4.318 4.527 0.003 0.000 0.298 149 F C 2.732 178.553 175.800 0.037 0.000 1.105 149 F CA 1.839 59.881 58.000 0.070 0.000 1.239 149 F CB -0.468 38.560 39.000 0.047 0.000 0.991 149 F HN 0.079 nan 8.300 nan 0.000 0.474 150 Q N 0.392 120.132 119.800 -0.099 0.000 2.061 150 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 150 Q C 2.420 178.320 176.000 -0.166 0.000 0.984 150 Q CA 1.987 57.659 55.803 -0.218 0.000 0.846 150 Q CB -0.210 28.476 28.738 -0.087 0.000 0.902 150 Q HN 0.450 nan 8.270 nan 0.000 0.421 151 R N -0.019 120.440 120.500 -0.069 0.000 2.081 151 R HA -0.155 4.186 4.340 0.001 0.000 0.235 151 R C 2.425 178.698 176.300 -0.045 0.000 1.131 151 R CA 1.213 57.288 56.100 -0.041 0.000 0.960 151 R CB -0.432 29.873 30.300 0.008 0.000 0.856 151 R HN 0.266 nan 8.270 nan 0.000 0.436 152 L N 1.222 122.427 121.223 -0.030 0.000 2.093 152 L HA -0.089 4.252 4.340 0.001 0.000 0.208 152 L C 1.935 178.753 176.870 -0.087 0.000 1.085 152 L CA 1.499 56.326 54.840 -0.022 0.000 0.755 152 L CB -0.353 41.733 42.059 0.044 0.000 0.904 152 L HN 0.124 nan 8.230 nan 0.000 0.435 153 L N -1.758 119.345 121.223 -0.199 0.000 2.046 153 L HA -0.203 4.138 4.340 0.001 0.000 0.208 153 L C 2.420 179.204 176.870 -0.143 0.000 1.077 153 L CA 1.067 55.771 54.840 -0.227 0.000 0.747 153 L CB -0.646 41.171 42.059 -0.403 0.000 0.896 153 L HN 0.103 nan 8.230 nan 0.000 0.432 154 V N -0.824 119.012 119.914 -0.130 0.000 2.407 154 V HA -0.235 3.886 4.120 0.001 0.000 0.248 154 V C 2.424 178.482 176.094 -0.060 0.000 1.055 154 V CA 1.313 63.559 62.300 -0.090 0.000 1.049 154 V CB -0.203 31.573 31.823 -0.078 0.000 0.662 154 V HN 0.190 nan 8.190 nan 0.000 0.455 155 V N -0.071 119.814 119.914 -0.049 0.000 2.261 155 V HA -0.272 3.849 4.120 0.001 0.000 0.246 155 V C 2.316 178.394 176.094 -0.026 0.000 1.047 155 V CA 2.174 64.457 62.300 -0.028 0.000 1.015 155 V CB -0.520 31.295 31.823 -0.013 0.000 0.642 155 V HN 0.452 nan 8.190 nan 0.000 0.446 156 L N -0.855 120.349 121.223 -0.033 0.000 2.083 156 L HA -0.190 4.150 4.340 0.001 0.000 0.209 156 L C 2.398 179.253 176.870 -0.025 0.000 1.083 156 L CA 1.053 55.877 54.840 -0.025 0.000 0.752 156 L CB -0.602 41.438 42.059 -0.031 0.000 0.899 156 L HN 0.327 nan 8.230 nan 0.000 0.433 157 L N -0.350 120.849 121.223 -0.040 0.000 2.265 157 L HA -0.187 4.154 4.340 0.001 0.000 0.215 157 L C 2.523 179.378 176.870 -0.025 0.000 1.117 157 L CA 1.536 56.353 54.840 -0.038 0.000 0.782 157 L CB -0.535 41.487 42.059 -0.061 0.000 0.914 157 L HN 0.268 nan 8.230 nan 0.000 0.441 158 Q N 0.223 120.010 119.800 -0.022 0.000 2.297 158 Q HA 0.099 4.440 4.340 0.001 0.000 0.204 158 Q C 1.414 177.410 176.000 -0.005 0.000 0.962 158 Q CA 0.822 56.617 55.803 -0.014 0.000 0.879 158 Q CB -0.550 28.179 28.738 -0.014 0.000 0.947 158 Q HN 0.515 nan 8.270 nan 0.000 0.462 159 A N 1.654 124.472 122.820 -0.003 0.000 2.745 159 A HA -0.257 4.064 4.320 0.001 0.000 0.296 159 A C 0.519 178.105 177.584 0.004 0.000 1.500 159 A CA 1.214 53.253 52.037 0.005 0.000 0.766 159 A CB -2.534 16.472 19.000 0.010 0.000 1.030 159 A HN 0.584 nan 8.150 nan 0.000 0.489 160 N N -1.183 117.517 118.700 0.001 0.000 2.351 160 N HA 0.112 4.853 4.740 0.001 0.000 0.254 160 N C 0.443 175.952 175.510 -0.001 0.000 1.241 160 N CA -0.326 52.724 53.050 -0.000 0.000 0.883 160 N CB 0.130 38.615 38.487 -0.003 0.000 1.202 160 N HN 0.688 nan 8.380 nan 0.000 0.512 161 R N 1.006 121.506 120.500 0.001 0.000 2.698 161 R HA -0.027 4.314 4.340 0.001 0.000 0.266 161 R C -0.684 175.614 176.300 -0.004 0.000 1.026 161 R CA 0.018 56.118 56.100 0.000 0.000 1.102 161 R CB 0.407 30.709 30.300 0.004 0.000 0.978 161 R HN 0.133 nan 8.270 nan 0.000 0.436 162 D N 5.188 125.581 120.400 -0.011 0.000 2.488 162 D HA 0.044 4.685 4.640 0.001 0.000 0.238 162 D C -1.971 174.323 176.300 -0.011 0.000 1.138 162 D CA -0.645 53.343 54.000 -0.019 0.000 0.873 162 D CB 0.616 41.391 40.800 -0.042 0.000 1.183 162 D HN 0.412 nan 8.370 nan 0.000 0.458 163 P HA 0.086 nan 4.420 nan 0.000 0.274 163 P C -0.447 176.853 177.300 0.000 0.000 1.237 163 P CA -0.526 62.574 63.100 -0.001 0.000 0.793 163 P CB 0.857 32.557 31.700 0.000 0.000 0.977 164 D N 0.415 120.819 120.400 0.007 0.000 2.425 164 D HA 0.352 4.993 4.640 0.001 0.000 0.247 164 D C 0.941 177.247 176.300 0.009 0.000 1.147 164 D CA 0.874 54.881 54.000 0.011 0.000 0.879 164 D CB 0.764 41.572 40.800 0.014 0.000 1.179 164 D HN 0.555 nan 8.370 nan 0.000 0.456 165 G N 1.600 110.407 108.800 0.011 0.000 2.896 165 G HA2 0.269 4.230 3.960 0.001 0.000 0.247 165 G HA3 0.269 4.230 3.960 0.001 0.000 0.247 165 G C -0.578 174.331 174.900 0.015 0.000 1.187 165 G CA -0.821 44.284 45.100 0.008 0.000 0.837 165 G HN 0.331 nan 8.290 nan 0.000 0.559 166 R N -0.328 120.178 120.500 0.011 0.000 2.640 166 R HA 0.295 4.636 4.340 0.001 0.000 0.270 166 R C -0.267 176.052 176.300 0.032 0.000 1.024 166 R CA -0.168 55.942 56.100 0.017 0.000 1.085 166 R CB 0.888 31.194 30.300 0.011 0.000 0.963 166 R HN 0.165 nan 8.270 nan 0.000 0.426 167 V N 2.875 122.811 119.914 0.037 0.000 2.508 167 V HA -0.030 4.091 4.120 0.001 0.000 0.281 167 V C 0.430 176.562 176.094 0.063 0.000 1.041 167 V CA 0.279 62.614 62.300 0.058 0.000 1.016 167 V CB 1.003 32.848 31.823 0.037 0.000 0.984 167 V HN 0.654 nan 8.190 nan 0.000 0.478 168 D N 4.099 124.563 120.400 0.106 0.000 2.458 168 D HA 0.190 4.831 4.640 0.001 0.000 0.258 168 D C 1.064 177.430 176.300 0.110 0.000 1.134 168 D CA -0.399 53.656 54.000 0.091 0.000 0.915 168 D CB 1.057 41.902 40.800 0.074 0.000 1.028 168 D HN 0.523 nan 8.370 nan 0.000 0.508 169 E N 1.818 122.057 120.200 0.065 0.000 2.085 169 E HA -0.190 4.161 4.350 0.001 0.000 0.194 169 E C 1.712 178.345 176.600 0.055 0.000 0.994 169 E CA 0.982 57.411 56.400 0.048 0.000 0.801 169 E CB -0.036 29.681 29.700 0.028 0.000 0.743 169 E HN 0.585 nan 8.360 nan 0.000 0.453 170 A N 1.160 124.013 122.820 0.055 0.000 1.902 170 A HA -0.153 4.167 4.320 0.001 0.000 0.217 170 A C 2.251 179.882 177.584 0.078 0.000 1.181 170 A CA 1.266 53.335 52.037 0.053 0.000 0.623 170 A CB -0.552 18.473 19.000 0.040 0.000 0.818 170 A HN 0.233 nan 8.150 nan 0.000 0.443 171 L N -0.236 121.053 121.223 0.110 0.000 2.093 171 L HA -0.057 4.284 4.340 0.001 0.000 0.208 171 L C 2.363 179.382 176.870 0.248 0.000 1.085 171 L CA 1.527 56.465 54.840 0.162 0.000 0.755 171 L CB -0.408 41.731 42.059 0.133 0.000 0.904 171 L HN 0.147 nan 8.230 nan 0.000 0.435 172 V N -0.242 119.802 119.914 0.218 0.000 2.287 172 V HA -0.322 3.798 4.120 0.001 0.000 0.248 172 V C 2.576 178.697 176.094 0.046 0.000 1.053 172 V CA 2.123 64.434 62.300 0.018 0.000 1.027 172 V CB -0.582 31.194 31.823 -0.079 0.000 0.646 172 V HN 0.579 nan 8.190 nan 0.000 0.447 173 E N 0.109 120.342 120.200 0.056 0.000 2.051 173 E HA -0.282 4.069 4.350 0.001 0.000 0.192 173 E C 2.348 178.994 176.600 0.076 0.000 0.991 173 E CA 1.596 58.027 56.400 0.051 0.000 0.799 173 E CB -0.106 29.615 29.700 0.034 0.000 0.748 173 E HN 0.548 nan 8.360 nan 0.000 0.449 174 K N 0.302 120.756 120.400 0.089 0.000 2.032 174 K HA -0.198 4.123 4.320 0.001 0.000 0.209 174 K C 1.674 178.353 176.600 0.131 0.000 1.048 174 K CA 1.943 58.289 56.287 0.098 0.000 0.927 174 K CB -0.011 32.543 32.500 0.090 0.000 0.712 174 K HN 0.079 nan 8.250 nan 0.000 0.441 175 D N 0.261 120.759 120.400 0.163 0.000 2.144 175 D HA -0.122 4.519 4.640 0.001 0.000 0.199 175 D C 1.779 178.214 176.300 0.224 0.000 0.984 175 D CA 1.308 55.429 54.000 0.203 0.000 0.834 175 D CB -0.216 40.738 40.800 0.257 0.000 0.955 175 D HN 0.372 nan 8.370 nan 0.000 0.465 176 A N 0.818 123.756 122.820 0.197 0.000 1.902 176 A HA -0.229 4.091 4.320 0.001 0.000 0.217 176 A C 2.113 179.851 177.584 0.257 0.000 1.181 176 A CA 1.405 53.594 52.037 0.254 0.000 0.623 176 A CB -0.581 18.521 19.000 0.170 0.000 0.818 176 A HN 0.228 nan 8.150 nan 0.000 0.443 177 Q N -0.531 119.375 119.800 0.176 0.000 2.119 177 Q HA -0.103 4.238 4.340 0.001 0.000 0.201 177 Q C 2.146 178.274 176.000 0.212 0.000 0.972 177 Q CA 1.551 57.460 55.803 0.177 0.000 0.847 177 Q CB -0.342 28.464 28.738 0.114 0.000 0.903 177 Q HN 0.508 nan 8.270 nan 0.000 0.433 178 V N 1.230 121.258 119.914 0.190 0.000 2.295 178 V HA -0.249 3.872 4.120 0.001 0.000 0.246 178 V C 2.182 178.387 176.094 0.186 0.000 1.049 178 V CA 1.522 63.924 62.300 0.170 0.000 1.024 178 V CB -0.480 31.448 31.823 0.175 0.000 0.648 178 V HN 0.347 nan 8.190 nan 0.000 0.447 179 L N -1.212 120.183 121.223 0.286 0.000 2.093 179 L HA -0.154 4.186 4.340 0.001 0.000 0.208 179 L C 2.400 179.448 176.870 0.298 0.000 1.085 179 L CA 1.564 56.601 54.840 0.329 0.000 0.755 179 L CB -0.633 41.730 42.059 0.506 0.000 0.904 179 L HN 0.380 nan 8.230 nan 0.000 0.435 180 F N 1.319 121.392 119.950 0.206 0.000 2.102 180 F HA -0.209 4.319 4.527 0.001 0.000 0.298 180 F C 2.652 178.384 175.800 -0.114 0.000 1.105 180 F CA 1.560 59.549 58.000 -0.019 0.000 1.239 180 F CB -0.271 38.626 39.000 -0.172 0.000 0.991 180 F HN -0.146 nan 8.300 nan 0.000 0.474 181 R N 0.055 120.410 120.500 -0.241 0.000 2.092 181 R HA -0.057 4.284 4.340 0.001 0.000 0.231 181 R C 2.468 178.524 176.300 -0.406 0.000 1.119 181 R CA 1.124 57.004 56.100 -0.366 0.000 0.970 181 R CB -0.772 29.456 30.300 -0.121 0.000 0.864 181 R HN 0.397 nan 8.270 nan 0.000 0.440 182 A N 0.601 123.182 122.820 -0.398 0.000 1.898 182 A HA -0.059 4.262 4.320 0.001 0.000 0.216 182 A C 2.356 179.207 177.584 -1.221 0.000 1.181 182 A CA 1.665 53.348 52.037 -0.590 0.000 0.620 182 A CB -1.026 17.697 19.000 -0.461 0.000 0.819 182 A HN 0.456 nan 8.150 nan 0.000 0.442 183 G N -0.470 107.486 108.800 -1.407 0.000 2.408 183 G HA2 -0.167 3.794 3.960 0.001 0.000 0.217 183 G HA3 -0.167 3.794 3.960 0.001 0.000 0.217 183 G C 1.314 175.790 174.900 -0.707 0.000 1.150 183 G CA 0.920 45.221 45.100 -1.332 0.000 0.776 183 G HN 0.453 nan 8.290 nan 0.000 0.542 184 E N 0.342 120.167 120.200 -0.624 0.000 2.204 184 E HA 0.002 4.353 4.350 0.001 0.000 0.195 184 E C 2.100 178.493 176.600 -0.344 0.000 0.990 184 E CA 0.385 56.504 56.400 -0.469 0.000 0.821 184 E CB -0.164 29.190 29.700 -0.578 0.000 0.750 184 E HN 0.428 nan 8.360 nan 0.000 0.477 185 L N 0.485 121.480 121.223 -0.380 0.000 2.688 185 L HA 0.134 4.475 4.340 0.001 0.000 0.234 185 L C 0.231 176.971 176.870 -0.216 0.000 1.192 185 L CA -0.063 54.630 54.840 -0.245 0.000 0.984 185 L CB -0.198 41.746 42.059 -0.192 0.000 1.232 185 L HN -0.043 nan 8.230 nan 0.000 0.465 186 K N -0.704 119.531 120.400 -0.276 0.000 3.016 186 K HA -0.237 4.084 4.320 0.001 0.000 0.262 186 K C -0.512 176.101 176.600 0.023 0.000 1.043 186 K CA 0.735 56.952 56.287 -0.117 0.000 0.761 186 K CB -1.603 30.885 32.500 -0.020 0.000 1.230 186 K HN 0.469 nan 8.250 nan 0.000 0.485 187 W N -2.510 118.726 121.300 -0.106 0.000 5.538 187 W HA -0.236 4.425 4.660 0.002 0.000 0.377 187 W C 1.082 177.667 176.519 0.110 0.000 1.406 187 W CA 0.536 57.806 57.345 -0.125 0.000 0.940 187 W CB -1.931 27.334 29.460 -0.326 0.000 2.536 187 W HN 0.452 nan 8.180 nan 0.000 1.504 188 G N -0.994 107.921 108.800 0.192 0.000 3.596 188 G HA2 0.396 4.357 3.960 0.001 0.000 0.274 188 G HA3 0.396 4.357 3.960 0.001 0.000 0.274 188 G C -0.088 174.873 174.900 0.103 0.000 1.007 188 G CA 0.300 45.496 45.100 0.159 0.000 0.825 188 G HN 0.077 nan 8.290 nan 0.000 0.508 189 T N 0.384 115.003 114.554 0.108 0.000 2.848 189 T HA 0.360 4.711 4.350 0.001 0.000 0.285 189 T C -0.341 174.377 174.700 0.031 0.000 0.995 189 T CA -0.172 61.956 62.100 0.046 0.000 0.970 189 T CB 1.937 70.811 68.868 0.011 0.000 0.976 189 T HN 0.166 nan 8.240 nan 0.000 0.441 190 D N 1.997 122.378 120.400 -0.031 0.000 2.704 190 D HA -0.165 4.476 4.640 0.001 0.000 0.232 190 D C 0.900 177.050 176.300 -0.251 0.000 1.183 190 D CA 0.718 54.667 54.000 -0.085 0.000 0.647 190 D CB -0.449 40.332 40.800 -0.031 0.000 1.013 190 D HN 0.648 nan 8.370 nan 0.000 0.415 191 E N 0.339 120.249 120.200 -0.485 0.000 2.171 191 E HA -0.234 4.116 4.350 0.001 0.000 0.197 191 E C 1.786 177.750 176.600 -1.059 0.000 0.997 191 E CA 1.443 57.138 56.400 -1.176 0.000 0.810 191 E CB -0.096 28.884 29.700 -1.201 0.000 0.738 191 E HN 0.769 nan 8.360 nan 0.000 0.467 192 E N 0.250 120.159 120.200 -0.485 0.000 2.097 192 E HA -0.261 4.090 4.350 0.001 0.000 0.196 192 E C 1.498 177.965 176.600 -0.222 0.000 1.000 192 E CA 1.852 58.103 56.400 -0.249 0.000 0.804 192 E CB -0.063 29.581 29.700 -0.093 0.000 0.740 192 E HN 0.225 nan 8.360 nan 0.000 0.454 193 T N 0.668 115.103 114.554 -0.199 0.000 2.708 193 T HA -0.163 4.188 4.350 0.001 0.000 0.266 193 T C 1.455 176.184 174.700 0.048 0.000 1.037 193 T CA 1.707 63.778 62.100 -0.048 0.000 1.146 193 T CB -0.445 68.434 68.868 0.018 0.000 0.865 193 T HN 0.454 nan 8.240 nan 0.000 0.435 194 F N 0.432 120.449 119.950 0.112 0.000 2.615 194 F HA 0.375 4.903 4.527 0.001 0.000 0.297 194 F C 1.779 177.659 175.800 0.134 0.000 1.124 194 F CA -0.266 57.840 58.000 0.178 0.000 1.451 194 F CB -1.025 38.177 39.000 0.337 0.000 1.103 194 F HN 0.078 nan 8.300 nan 0.000 0.569 195 I N 0.681 121.248 120.570 -0.005 0.000 2.353 195 I HA -0.213 3.957 4.170 0.001 0.000 0.248 195 I C 2.253 178.415 176.117 0.076 0.000 1.119 195 I CA 1.532 62.868 61.300 0.061 0.000 1.417 195 I CB -0.678 37.278 38.000 -0.073 0.000 1.078 195 I HN 0.196 nan 8.210 nan 0.000 0.421 196 T N 1.209 115.790 114.554 0.045 0.000 2.708 196 T HA -0.107 4.244 4.350 0.001 0.000 0.266 196 T C 1.912 176.662 174.700 0.083 0.000 1.037 196 T CA 1.332 63.461 62.100 0.048 0.000 1.146 196 T CB -0.196 68.691 68.868 0.031 0.000 0.865 196 T HN 0.209 nan 8.240 nan 0.000 0.435 197 I N 0.704 121.355 120.570 0.135 0.000 2.113 197 I HA -0.134 4.036 4.170 0.001 0.000 0.238 197 I C 2.242 178.457 176.117 0.164 0.000 1.070 197 I CA 1.380 62.778 61.300 0.164 0.000 1.332 197 I CB -0.371 37.768 38.000 0.232 0.000 1.044 197 I HN 0.177 nan 8.210 nan 0.000 0.402 198 L N 0.175 121.518 121.223 0.200 0.000 2.217 198 L HA -0.064 4.277 4.340 0.001 0.000 0.211 198 L C 2.459 179.394 176.870 0.108 0.000 1.107 198 L CA 1.225 56.168 54.840 0.173 0.000 0.783 198 L CB -0.812 41.357 42.059 0.183 0.000 0.919 198 L HN 0.325 nan 8.230 nan 0.000 0.442 199 G N -1.131 107.724 108.800 0.092 0.000 2.539 199 G HA2 -0.127 3.834 3.960 0.001 0.000 0.215 199 G HA3 -0.127 3.834 3.960 0.001 0.000 0.215 199 G C 1.558 176.479 174.900 0.034 0.000 1.141 199 G CA 1.024 46.154 45.100 0.052 0.000 0.806 199 G HN 0.414 nan 8.290 nan 0.000 0.533 200 T N -2.726 111.851 114.554 0.037 0.000 2.959 200 T HA 0.328 4.679 4.350 0.001 0.000 0.254 200 T C 1.020 175.723 174.700 0.006 0.000 1.003 200 T CA -0.495 61.614 62.100 0.016 0.000 0.950 200 T CB 0.473 69.346 68.868 0.008 0.000 1.090 200 T HN -0.077 nan 8.240 nan 0.000 0.503 201 R N 3.263 123.776 120.500 0.021 0.000 2.641 201 R HA 0.397 4.738 4.340 0.001 0.000 0.269 201 R C 0.864 177.171 176.300 0.012 0.000 1.074 201 R CA 0.155 56.254 56.100 -0.000 0.000 1.133 201 R CB 0.688 31.042 30.300 0.090 0.000 1.029 201 R HN 0.630 nan 8.270 nan 0.000 0.488 202 S N -0.142 115.559 115.700 0.003 0.000 2.576 202 S HA 0.003 4.474 4.470 0.001 0.000 0.272 202 S C 1.574 176.183 174.600 0.015 0.000 1.352 202 S CA -0.760 57.449 58.200 0.015 0.000 1.021 202 S CB 0.746 63.956 63.200 0.017 0.000 0.887 202 S HN 0.310 nan 8.310 nan 0.000 0.542 203 V N 2.452 122.363 119.914 -0.005 0.000 2.295 203 V HA -0.198 3.923 4.120 0.001 0.000 0.246 203 V C 2.998 179.058 176.094 -0.057 0.000 1.049 203 V CA 2.395 64.675 62.300 -0.034 0.000 1.024 203 V CB -1.657 30.160 31.823 -0.010 0.000 0.648 203 V HN 1.087 nan 8.190 nan 0.000 0.447 204 S N -0.180 115.510 115.700 -0.017 0.000 2.368 204 S HA -0.322 4.149 4.470 0.001 0.000 0.225 204 S C 1.949 176.528 174.600 -0.035 0.000 1.030 204 S CA 1.918 60.106 58.200 -0.020 0.000 0.999 204 S CB -0.751 62.454 63.200 0.009 0.000 0.844 204 S HN 0.782 nan 8.310 nan 0.000 0.459 205 H N 1.718 120.733 119.070 -0.092 0.000 2.321 205 H HA 0.153 4.710 4.556 0.002 0.000 0.300 205 H C 1.892 177.113 175.328 -0.178 0.000 1.087 205 H CA 1.829 57.819 56.048 -0.096 0.000 1.319 205 H CB -0.440 29.283 29.762 -0.065 0.000 1.379 205 H HN 0.335 nan 8.280 nan 0.000 0.501 206 L N -0.131 120.946 121.223 -0.242 0.000 2.141 206 L HA -0.125 4.215 4.340 0.001 0.000 0.209 206 L C 2.659 178.949 176.870 -0.968 0.000 1.094 206 L CA 1.149 55.623 54.840 -0.611 0.000 0.763 206 L CB -0.315 41.392 42.059 -0.588 0.000 0.908 206 L HN 0.301 nan 8.230 nan 0.000 0.437 207 R N -0.181 119.985 120.500 -0.556 0.000 2.096 207 R HA -0.137 4.204 4.340 0.001 0.000 0.235 207 R C 2.422 178.595 176.300 -0.210 0.000 1.127 207 R CA 1.199 57.095 56.100 -0.341 0.000 0.968 207 R CB -0.225 29.998 30.300 -0.129 0.000 0.861 207 R HN 0.355 nan 8.270 nan 0.000 0.440 208 R N 0.027 120.390 120.500 -0.228 0.000 2.075 208 R HA -0.060 4.280 4.340 0.001 0.000 0.232 208 R C 2.297 178.511 176.300 -0.144 0.000 1.126 208 R CA 1.150 57.155 56.100 -0.158 0.000 0.963 208 R CB -0.314 29.878 30.300 -0.181 0.000 0.858 208 R HN 0.041 nan 8.270 nan 0.000 0.435 209 V N 0.771 120.523 119.914 -0.271 0.000 2.343 209 V HA -0.242 3.878 4.120 0.001 0.000 0.247 209 V C 2.013 178.216 176.094 0.182 0.000 1.051 209 V CA 1.644 63.881 62.300 -0.106 0.000 1.036 209 V CB -0.521 31.203 31.823 -0.165 0.000 0.654 209 V HN 0.153 nan 8.190 nan 0.000 0.451 210 F N 0.593 120.553 119.950 0.017 0.000 2.134 210 F HA -0.114 4.414 4.527 0.001 0.000 0.299 210 F C 2.342 178.203 175.800 0.103 0.000 1.097 210 F CA 1.083 59.112 58.000 0.049 0.000 1.264 210 F CB -1.195 37.803 39.000 -0.004 0.000 1.001 210 F HN 0.257 nan 8.300 nan 0.000 0.479 211 D N 0.062 120.605 120.400 0.239 0.000 2.117 211 D HA -0.154 4.486 4.640 0.001 0.000 0.197 211 D C 2.231 178.609 176.300 0.130 0.000 0.987 211 D CA 1.139 55.229 54.000 0.150 0.000 0.829 211 D CB -0.245 40.601 40.800 0.077 0.000 0.961 211 D HN 0.087 nan 8.370 nan 0.000 0.460 212 K N 0.041 120.511 120.400 0.117 0.000 2.057 212 K HA -0.173 4.148 4.320 0.001 0.000 0.207 212 K C 2.105 178.771 176.600 0.110 0.000 1.049 212 K CA 0.840 57.173 56.287 0.078 0.000 0.931 212 K CB -0.709 31.824 32.500 0.055 0.000 0.714 212 K HN 0.145 nan 8.250 nan 0.000 0.440 213 Y N 0.249 120.603 120.300 0.090 0.000 2.207 213 Y HA -0.233 4.318 4.550 0.002 0.000 0.287 213 Y C 2.101 178.047 175.900 0.077 0.000 1.156 213 Y CA 2.301 60.470 58.100 0.115 0.000 1.182 213 Y CB -0.327 38.260 38.460 0.211 0.000 0.979 213 Y HN 0.201 nan 8.280 nan 0.000 0.521 214 M N -0.227 119.549 119.600 0.293 0.000 2.117 214 M HA -0.161 4.320 4.480 0.001 0.000 0.262 214 M C 1.948 178.246 176.300 -0.003 0.000 1.065 214 M CA 2.493 57.896 55.300 0.171 0.000 1.114 214 M CB -0.953 31.741 32.600 0.156 0.000 1.361 214 M HN 0.149 nan 8.290 nan 0.000 0.408 215 T N 0.921 115.462 114.554 -0.022 0.000 2.788 215 T HA -0.065 4.286 4.350 0.001 0.000 0.268 215 T C 1.844 176.443 174.700 -0.168 0.000 1.044 215 T CA 1.906 63.959 62.100 -0.079 0.000 1.139 215 T CB -0.447 68.387 68.868 -0.056 0.000 0.867 215 T HN 0.437 nan 8.240 nan 0.000 0.454 216 I N 1.470 121.889 120.570 -0.252 0.000 2.233 216 I HA -0.141 4.030 4.170 0.001 0.000 0.243 216 I C 2.754 178.513 176.117 -0.596 0.000 1.093 216 I CA 1.482 62.504 61.300 -0.464 0.000 1.380 216 I CB -0.294 37.329 38.000 -0.628 0.000 1.067 216 I HN 0.319 nan 8.210 nan 0.000 0.413 217 S N -0.345 115.046 115.700 -0.516 0.000 2.470 217 S HA 0.211 4.682 4.470 0.001 0.000 0.222 217 S C 1.738 176.278 174.600 -0.099 0.000 1.024 217 S CA 0.547 58.608 58.200 -0.231 0.000 0.931 217 S CB 0.717 63.906 63.200 -0.019 0.000 0.791 217 S HN 0.580 nan 8.310 nan 0.000 0.513 218 G N 0.150 108.859 108.800 -0.152 0.000 2.194 218 G HA2 -0.177 3.784 3.960 0.001 0.000 0.236 218 G HA3 -0.177 3.784 3.960 0.001 0.000 0.236 218 G C -0.146 174.541 174.900 -0.354 0.000 0.987 218 G CA 0.138 45.078 45.100 -0.266 0.000 0.635 218 G HN 0.481 nan 8.290 nan 0.000 0.520 219 F N 0.902 120.898 119.950 0.078 0.000 2.561 219 F HA 0.674 5.202 4.527 0.001 0.000 0.321 219 F C 0.444 176.391 175.800 0.245 0.000 1.065 219 F CA -1.105 56.980 58.000 0.142 0.000 0.934 219 F CB 1.493 40.596 39.000 0.171 0.000 1.215 219 F HN -0.105 nan 8.300 nan 0.000 0.471 220 Q N 2.275 122.309 119.800 0.391 0.000 2.340 220 Q HA 0.207 4.548 4.340 0.001 0.000 0.249 220 Q C 1.515 177.620 176.000 0.175 0.000 0.957 220 Q CA -0.062 55.884 55.803 0.238 0.000 0.882 220 Q CB 1.596 30.393 28.738 0.098 0.000 1.235 220 Q HN 0.880 nan 8.270 nan 0.000 0.439 221 I N 1.630 122.103 120.570 -0.163 0.000 2.315 221 I HA -0.373 3.798 4.170 0.001 0.000 0.251 221 I C 1.175 177.121 176.117 -0.284 0.000 1.125 221 I CA 1.555 62.542 61.300 -0.521 0.000 1.392 221 I CB 0.348 37.747 38.000 -1.003 0.000 1.065 221 I HN 0.655 nan 8.210 nan 0.000 0.424 222 E N 0.843 120.887 120.200 -0.261 0.000 2.110 222 E HA -0.256 4.095 4.350 0.001 0.000 0.193 222 E C 1.950 178.486 176.600 -0.107 0.000 0.988 222 E CA 1.535 57.812 56.400 -0.205 0.000 0.804 222 E CB -0.174 29.436 29.700 -0.150 0.000 0.745 222 E HN 0.589 nan 8.360 nan 0.000 0.458 223 E N -0.274 119.908 120.200 -0.031 0.000 2.265 223 E HA -0.142 4.209 4.350 0.001 0.000 0.196 223 E C 1.773 178.319 176.600 -0.090 0.000 0.996 223 E CA 1.506 57.884 56.400 -0.038 0.000 0.832 223 E CB -0.141 29.579 29.700 0.034 0.000 0.756 223 E HN 0.425 nan 8.360 nan 0.000 0.491 224 T N -1.968 112.592 114.554 0.011 0.000 3.057 224 T HA 0.136 4.487 4.350 0.001 0.000 0.254 224 T C 1.792 176.601 174.700 0.180 0.000 1.094 224 T CA 0.024 62.185 62.100 0.103 0.000 1.088 224 T CB 0.000 69.059 68.868 0.318 0.000 0.934 224 T HN 0.054 nan 8.240 nan 0.000 0.497 225 I N 0.798 121.363 120.570 -0.008 0.000 3.462 225 I HA 0.161 4.332 4.170 0.001 0.000 0.290 225 I C 0.733 176.759 176.117 -0.151 0.000 1.236 225 I CA -0.180 60.990 61.300 -0.217 0.000 1.418 225 I CB -0.171 37.475 38.000 -0.591 0.000 1.102 225 I HN 0.112 nan 8.210 nan 0.000 0.441 226 D N 2.047 122.377 120.400 -0.116 0.000 2.192 226 D HA 0.090 4.731 4.640 0.001 0.000 0.238 226 D C 0.265 176.519 176.300 -0.077 0.000 1.348 226 D CA 0.640 54.583 54.000 -0.095 0.000 0.938 226 D CB 0.334 41.090 40.800 -0.073 0.000 1.256 226 D HN -0.087 nan 8.370 nan 0.000 0.529 227 R N -0.909 119.547 120.500 -0.073 0.000 3.087 227 R HA -0.114 4.227 4.340 0.001 0.000 0.406 227 R C 0.500 176.755 176.300 -0.075 0.000 1.211 227 R CA 0.006 56.068 56.100 -0.063 0.000 1.098 227 R CB -1.086 29.185 30.300 -0.048 0.000 2.759 227 R HN 0.550 nan 8.270 nan 0.000 0.626 228 E N 0.982 121.139 120.200 -0.071 0.000 2.110 228 E HA -0.075 4.276 4.350 0.001 0.000 0.193 228 E C 1.001 177.563 176.600 -0.064 0.000 0.988 228 E CA 2.224 58.578 56.400 -0.078 0.000 0.804 228 E CB 0.062 29.723 29.700 -0.065 0.000 0.745 228 E HN 0.665 nan 8.360 nan 0.000 0.458 229 T N -0.703 113.821 114.554 -0.049 0.000 3.658 229 T HA 0.070 4.421 4.350 0.001 0.000 0.250 229 T C 0.390 175.066 174.700 -0.041 0.000 1.060 229 T CA 0.161 62.237 62.100 -0.040 0.000 0.962 229 T CB -0.895 67.957 68.868 -0.028 0.000 1.075 229 T HN 0.093 nan 8.240 nan 0.000 0.610 230 S N -0.161 115.505 115.700 -0.056 0.000 2.586 230 S HA 0.701 5.172 4.470 0.001 0.000 0.274 230 S C 0.720 175.279 174.600 -0.070 0.000 1.281 230 S CA -0.677 57.487 58.200 -0.060 0.000 1.035 230 S CB 1.361 64.513 63.200 -0.080 0.000 0.962 230 S HN 0.525 nan 8.310 nan 0.000 0.512 231 G N 0.558 109.320 108.800 -0.062 0.000 2.525 231 G HA2 0.309 4.269 3.960 0.001 0.000 0.287 231 G HA3 0.309 4.269 3.960 0.001 0.000 0.287 231 G C 0.122 174.929 174.900 -0.155 0.000 1.350 231 G CA -0.606 44.442 45.100 -0.087 0.000 1.039 231 G HN 0.710 nan 8.290 nan 0.000 0.513 232 D N -0.836 119.403 120.400 -0.268 0.000 2.117 232 D HA -0.131 4.510 4.640 0.001 0.000 0.197 232 D C 2.445 178.535 176.300 -0.350 0.000 0.987 232 D CA 0.682 54.347 54.000 -0.558 0.000 0.829 232 D CB -0.070 40.023 40.800 -1.177 0.000 0.961 232 D HN 0.160 nan 8.370 nan 0.000 0.460 233 L N 1.412 122.587 121.223 -0.079 0.000 2.017 233 L HA -0.172 4.169 4.340 0.001 0.000 0.208 233 L C 1.897 178.799 176.870 0.054 0.000 1.073 233 L CA 1.820 56.755 54.840 0.159 0.000 0.745 233 L CB -0.459 41.739 42.059 0.233 0.000 0.894 233 L HN -0.185 nan 8.230 nan 0.000 0.432 234 E N -0.093 120.090 120.200 -0.029 0.000 2.085 234 E HA -0.221 4.130 4.350 0.001 0.000 0.194 234 E C 2.142 178.662 176.600 -0.134 0.000 0.994 234 E CA 1.640 57.966 56.400 -0.123 0.000 0.801 234 E CB -0.178 29.455 29.700 -0.112 0.000 0.743 234 E HN 0.484 nan 8.360 nan 0.000 0.453 235 K N -0.032 120.311 120.400 -0.095 0.000 2.148 235 K HA -0.108 4.213 4.320 0.001 0.000 0.204 235 K C 2.029 178.617 176.600 -0.020 0.000 1.050 235 K CA 0.785 57.031 56.287 -0.068 0.000 0.942 235 K CB -0.118 32.340 32.500 -0.070 0.000 0.724 235 K HN 0.062 nan 8.250 nan 0.000 0.446 236 L N 1.379 122.625 121.223 0.039 0.000 2.072 236 L HA -0.073 4.268 4.340 0.001 0.000 0.205 236 L C 1.809 178.669 176.870 -0.016 0.000 1.079 236 L CA 1.376 56.272 54.840 0.094 0.000 0.752 236 L CB -0.294 41.934 42.059 0.281 0.000 0.906 236 L HN 0.098 nan 8.230 nan 0.000 0.436 237 L N -1.225 119.955 121.223 -0.073 0.000 2.012 237 L HA -0.261 4.080 4.340 0.001 0.000 0.210 237 L C 2.559 179.280 176.870 -0.248 0.000 1.073 237 L CA 1.433 56.155 54.840 -0.197 0.000 0.748 237 L CB -0.652 41.167 42.059 -0.400 0.000 0.891 237 L HN 0.299 nan 8.230 nan 0.000 0.431 238 L N -0.431 120.653 121.223 -0.232 0.000 2.012 238 L HA -0.231 4.110 4.340 0.001 0.000 0.210 238 L C 2.890 179.675 176.870 -0.141 0.000 1.073 238 L CA 1.316 56.037 54.840 -0.198 0.000 0.748 238 L CB -0.688 41.290 42.059 -0.136 0.000 0.891 238 L HN 0.267 nan 8.230 nan 0.000 0.431 239 A N -0.542 122.206 122.820 -0.119 0.000 1.902 239 A HA -0.151 4.170 4.320 0.001 0.000 0.217 239 A C 2.320 179.682 177.584 -0.370 0.000 1.181 239 A CA 1.750 53.621 52.037 -0.276 0.000 0.623 239 A CB -0.820 18.046 19.000 -0.224 0.000 0.818 239 A HN 0.197 nan 8.150 nan 0.000 0.443 240 V N -0.402 119.386 119.914 -0.210 0.000 2.295 240 V HA -0.240 3.881 4.120 0.001 0.000 0.246 240 V C 2.595 178.639 176.094 -0.083 0.000 1.049 240 V CA 2.042 64.258 62.300 -0.141 0.000 1.024 240 V CB -0.766 31.021 31.823 -0.060 0.000 0.648 240 V HN 0.374 nan 8.190 nan 0.000 0.447 241 V N -0.259 119.595 119.914 -0.099 0.000 2.287 241 V HA -0.303 3.818 4.120 0.001 0.000 0.248 241 V C 2.427 178.501 176.094 -0.033 0.000 1.053 241 V CA 2.198 64.454 62.300 -0.074 0.000 1.027 241 V CB -0.713 30.868 31.823 -0.404 0.000 0.646 241 V HN 0.544 nan 8.190 nan 0.000 0.447 242 K N -0.940 119.402 120.400 -0.098 0.000 2.097 242 K HA -0.178 4.143 4.320 0.001 0.000 0.206 242 K C 2.172 178.757 176.600 -0.024 0.000 1.049 242 K CA 1.735 58.007 56.287 -0.025 0.000 0.933 242 K CB -0.447 32.097 32.500 0.073 0.000 0.717 242 K HN 0.449 nan 8.250 nan 0.000 0.442 243 C N 0.802 120.005 119.300 -0.163 0.000 2.450 243 C HA 0.006 4.467 4.460 0.001 0.000 0.279 243 C C 2.429 177.411 174.990 -0.014 0.000 1.335 243 C CA 0.083 59.016 59.018 -0.142 0.000 1.749 243 C CB -0.608 26.955 27.740 -0.295 0.000 1.963 243 C HN 0.406 nan 8.230 nan 0.000 0.501 244 I N 1.175 121.767 120.570 0.037 0.000 2.286 244 I HA -0.138 4.033 4.170 0.001 0.000 0.248 244 I C 2.590 178.765 176.117 0.098 0.000 1.115 244 I CA 1.628 62.975 61.300 0.079 0.000 1.392 244 I CB -1.001 37.091 38.000 0.153 0.000 1.065 244 I HN 0.432 nan 8.210 nan 0.000 0.418 245 R N 0.067 120.653 120.500 0.145 0.000 2.057 245 R HA 0.012 4.353 4.340 0.001 0.000 0.229 245 R C 0.781 177.134 176.300 0.089 0.000 1.136 245 R CA 1.076 57.254 56.100 0.130 0.000 0.952 245 R CB -0.099 30.281 30.300 0.134 0.000 0.848 245 R HN 0.214 nan 8.270 nan 0.000 0.430 246 S N -0.645 115.106 115.700 0.085 0.000 2.550 246 S HA 0.143 4.614 4.470 0.001 0.000 0.274 246 S C 0.471 175.141 174.600 0.117 0.000 1.110 246 S CA -0.679 57.577 58.200 0.094 0.000 1.013 246 S CB 1.544 64.800 63.200 0.093 0.000 1.152 246 S HN -0.038 nan 8.310 nan 0.000 0.450 247 V N 6.269 126.257 119.914 0.123 0.000 2.343 247 V HA -0.021 4.099 4.120 0.001 0.000 0.247 247 V C -1.009 175.254 176.094 0.283 0.000 1.051 247 V CA 1.768 64.171 62.300 0.172 0.000 1.036 247 V CB -1.154 30.791 31.823 0.203 0.000 0.654 247 V HN 0.620 nan 8.190 nan 0.000 0.451 248 P HA -0.118 nan 4.420 nan 0.000 0.217 248 P C 1.673 179.118 177.300 0.242 0.000 1.150 248 P CA 1.866 65.122 63.100 0.261 0.000 0.832 248 P CB -0.110 31.687 31.700 0.162 0.000 0.787 249 A N -1.370 121.560 122.820 0.183 0.000 1.930 249 A HA -0.222 4.099 4.320 0.001 0.000 0.217 249 A C 2.248 179.932 177.584 0.167 0.000 1.175 249 A CA 1.317 53.445 52.037 0.152 0.000 0.627 249 A CB -1.876 17.182 19.000 0.097 0.000 0.815 249 A HN 0.163 nan 8.150 nan 0.000 0.443 250 Y N -0.448 119.864 120.300 0.020 0.000 2.145 250 Y HA -0.213 4.338 4.550 0.001 0.000 0.286 250 Y C 1.851 177.711 175.900 -0.066 0.000 1.145 250 Y CA 1.790 59.840 58.100 -0.083 0.000 1.148 250 Y CB -0.595 37.707 38.460 -0.264 0.000 0.981 250 Y HN 0.285 nan 8.280 nan 0.000 0.507 251 F N -0.259 119.682 119.950 -0.016 0.000 2.325 251 F HA -0.069 4.458 4.527 0.001 0.000 0.299 251 F C 2.537 178.351 175.800 0.023 0.000 1.090 251 F CA 0.664 58.608 58.000 -0.093 0.000 1.392 251 F CB -0.501 38.525 39.000 0.043 0.000 1.053 251 F HN 0.185 nan 8.300 nan 0.000 0.521 252 A N -0.041 122.958 122.820 0.298 0.000 1.902 252 A HA -0.244 4.077 4.320 0.001 0.000 0.217 252 A C 2.100 179.887 177.584 0.339 0.000 1.181 252 A CA 1.878 54.163 52.037 0.414 0.000 0.623 252 A CB -0.785 18.465 19.000 0.417 0.000 0.818 252 A HN 0.432 nan 8.150 nan 0.000 0.443 253 E N -0.765 119.593 120.200 0.264 0.000 2.106 253 E HA -0.149 4.202 4.350 0.001 0.000 0.192 253 E C 1.911 178.580 176.600 0.115 0.000 0.984 253 E CA 1.565 58.107 56.400 0.236 0.000 0.806 253 E CB -0.163 29.721 29.700 0.307 0.000 0.750 253 E HN 0.532 nan 8.360 nan 0.000 0.458 254 T N 1.360 115.911 114.554 -0.006 0.000 2.746 254 T HA -0.135 4.216 4.350 0.001 0.000 0.267 254 T C 1.847 176.602 174.700 0.091 0.000 1.039 254 T CA 1.151 63.243 62.100 -0.013 0.000 1.142 254 T CB -0.156 68.600 68.868 -0.186 0.000 0.866 254 T HN 0.157 nan 8.240 nan 0.000 0.444 255 L N -0.458 120.849 121.223 0.141 0.000 2.056 255 L HA -0.075 4.266 4.340 0.001 0.000 0.207 255 L C 2.362 179.314 176.870 0.136 0.000 1.078 255 L CA 1.404 56.336 54.840 0.154 0.000 0.749 255 L CB -0.574 41.607 42.059 0.204 0.000 0.901 255 L HN 0.258 nan 8.230 nan 0.000 0.433 256 Y N 0.007 120.255 120.300 -0.086 0.000 2.097 256 Y HA -0.338 4.213 4.550 0.001 0.000 0.282 256 Y C 2.368 178.012 175.900 -0.428 0.000 1.152 256 Y CA 1.723 59.524 58.100 -0.499 0.000 1.136 256 Y CB -0.540 36.916 38.460 -1.673 0.000 0.975 256 Y HN 0.059 nan 8.280 nan 0.000 0.498 257 Y N 0.074 120.256 120.300 -0.196 0.000 2.509 257 Y HA -0.106 4.444 4.550 0.001 0.000 0.293 257 Y C 2.832 178.640 175.900 -0.153 0.000 1.133 257 Y CA 1.061 59.036 58.100 -0.209 0.000 1.283 257 Y CB -0.814 37.612 38.460 -0.058 0.000 1.001 257 Y HN 0.321 nan 8.280 nan 0.000 0.555 258 S N -1.338 114.372 115.700 0.016 0.000 2.481 258 S HA -0.098 4.373 4.470 0.001 0.000 0.231 258 S C 1.573 176.154 174.600 -0.032 0.000 0.996 258 S CA 0.959 59.169 58.200 0.017 0.000 0.942 258 S CB -0.265 62.959 63.200 0.039 0.000 0.768 258 S HN 0.486 nan 8.310 nan 0.000 0.520 259 M N -0.397 119.135 119.600 -0.113 0.000 2.393 259 M HA 0.367 4.848 4.480 0.001 0.000 0.270 259 M C 0.264 176.443 176.300 -0.202 0.000 1.127 259 M CA -0.202 55.022 55.300 -0.127 0.000 1.104 259 M CB 0.381 32.918 32.600 -0.106 0.000 1.523 259 M HN -0.002 nan 8.290 nan 0.000 0.546 260 K N 2.231 122.404 120.400 -0.379 0.000 2.447 260 K HA 0.384 4.705 4.320 0.001 0.000 0.281 260 K C 0.272 176.776 176.600 -0.159 0.000 1.031 260 K CA 1.297 57.342 56.287 -0.403 0.000 1.019 260 K CB -0.188 31.871 32.500 -0.735 0.000 0.918 260 K HN 0.353 nan 8.250 nan 0.000 0.476 261 G N 2.146 110.885 108.800 -0.103 0.000 2.710 261 G HA2 0.067 4.028 3.960 0.001 0.000 0.668 261 G HA3 0.067 4.028 3.960 0.001 0.000 0.668 261 G C -0.609 174.271 174.900 -0.033 0.000 1.320 261 G CA -0.602 44.472 45.100 -0.044 0.000 0.860 261 G HN 0.888 nan 8.290 nan 0.000 0.538 262 A N -0.035 122.775 122.820 -0.017 0.000 2.498 262 A HA 0.791 5.112 4.320 0.001 0.000 0.239 262 A C 1.901 179.478 177.584 -0.011 0.000 1.068 262 A CA 2.232 54.262 52.037 -0.011 0.000 0.766 262 A CB -0.250 18.747 19.000 -0.006 0.000 1.003 262 A HN 2.963 nan 8.150 nan 0.000 0.497 263 G N 0.922 109.718 108.800 -0.007 0.000 2.750 263 G HA2 0.191 4.152 3.960 0.001 0.000 0.228 263 G HA3 0.191 4.152 3.960 0.001 0.000 0.228 263 G C -0.231 174.668 174.900 -0.001 0.000 1.367 263 G CA -0.115 44.984 45.100 -0.001 0.000 0.871 263 G HN 1.827 nan 8.290 nan 0.000 0.560 264 T N -0.132 114.428 114.554 0.011 0.000 2.956 264 T HA 0.486 4.837 4.350 0.001 0.000 0.312 264 T C -1.098 173.618 174.700 0.027 0.000 1.151 264 T CA -0.114 61.998 62.100 0.019 0.000 1.024 264 T CB 2.001 70.899 68.868 0.050 0.000 1.140 264 T HN 0.812 nan 8.240 nan 0.000 0.473 265 D N 1.671 122.088 120.400 0.029 0.000 2.522 265 D HA 0.138 4.779 4.640 0.001 0.000 0.218 265 D C 0.692 177.027 176.300 0.058 0.000 1.149 265 D CA -0.349 53.673 54.000 0.037 0.000 0.981 265 D CB 0.151 40.975 40.800 0.039 0.000 1.041 265 D HN 0.371 nan 8.370 nan 0.000 0.518 266 D N 1.724 122.162 120.400 0.064 0.000 2.178 266 D HA -0.154 4.487 4.640 0.001 0.000 0.201 266 D C 0.919 177.276 176.300 0.094 0.000 0.980 266 D CA 0.791 54.854 54.000 0.105 0.000 0.842 266 D CB 0.440 41.273 40.800 0.056 0.000 0.948 266 D HN 0.505 nan 8.370 nan 0.000 0.472 267 D N 0.302 120.738 120.400 0.060 0.000 2.117 267 D HA -0.102 4.539 4.640 0.001 0.000 0.197 267 D C 2.009 178.364 176.300 0.092 0.000 0.987 267 D CA 1.081 55.120 54.000 0.064 0.000 0.829 267 D CB -0.391 40.439 40.800 0.049 0.000 0.961 267 D HN 0.150 nan 8.370 nan 0.000 0.460 268 T N 1.320 115.929 114.554 0.091 0.000 2.812 268 T HA -0.097 4.254 4.350 0.001 0.000 0.264 268 T C 1.919 176.677 174.700 0.098 0.000 1.042 268 T CA 0.302 62.466 62.100 0.106 0.000 1.140 268 T CB -0.283 68.645 68.868 0.099 0.000 0.870 268 T HN 0.009 nan 8.240 nan 0.000 0.445 269 L N 1.277 122.551 121.223 0.085 0.000 2.012 269 L HA -0.019 4.322 4.340 0.001 0.000 0.210 269 L C 2.119 179.022 176.870 0.056 0.000 1.073 269 L CA 1.638 56.514 54.840 0.059 0.000 0.748 269 L CB -0.719 41.377 42.059 0.063 0.000 0.891 269 L HN 0.275 nan 8.230 nan 0.000 0.431 270 I N -0.875 119.760 120.570 0.107 0.000 2.179 270 I HA -0.298 3.873 4.170 0.001 0.000 0.242 270 I C 2.751 178.923 176.117 0.092 0.000 1.088 270 I CA 1.501 62.867 61.300 0.109 0.000 1.357 270 I CB -0.392 37.697 38.000 0.150 0.000 1.051 270 I HN 0.311 nan 8.210 nan 0.000 0.409 271 R N 0.785 121.368 120.500 0.138 0.000 2.083 271 R HA -0.164 4.177 4.340 0.001 0.000 0.237 271 R C 2.272 178.614 176.300 0.070 0.000 1.137 271 R CA 1.783 58.012 56.100 0.216 0.000 0.951 271 R CB -0.191 30.256 30.300 0.244 0.000 0.851 271 R HN 0.161 nan 8.270 nan 0.000 0.434 272 V N 0.981 120.908 119.914 0.022 0.000 2.307 272 V HA -0.264 3.857 4.120 0.001 0.000 0.245 272 V C 2.528 178.502 176.094 -0.200 0.000 1.045 272 V CA 1.574 63.805 62.300 -0.116 0.000 1.024 272 V CB -0.361 31.453 31.823 -0.015 0.000 0.651 272 V HN 0.354 nan 8.190 nan 0.000 0.449 273 M N -0.435 119.090 119.600 -0.125 0.000 2.108 273 M HA -0.149 4.332 4.480 0.001 0.000 0.261 273 M C 2.217 178.405 176.300 -0.188 0.000 1.066 273 M CA 1.738 56.950 55.300 -0.148 0.000 1.107 273 M CB -1.134 31.397 32.600 -0.115 0.000 1.356 273 M HN 0.278 nan 8.290 nan 0.000 0.406 274 V N 0.439 120.240 119.914 -0.189 0.000 2.283 274 V HA -0.214 3.907 4.120 0.001 0.000 0.243 274 V C 2.571 178.392 176.094 -0.455 0.000 1.039 274 V CA 2.006 64.142 62.300 -0.273 0.000 1.016 274 V CB -1.095 30.595 31.823 -0.221 0.000 0.650 274 V HN 0.592 nan 8.190 nan 0.000 0.449 275 S N 0.630 115.968 115.700 -0.602 0.000 2.400 275 S HA -0.187 4.284 4.470 0.001 0.000 0.232 275 S C 1.833 176.175 174.600 -0.431 0.000 1.025 275 S CA 1.046 58.843 58.200 -0.673 0.000 0.993 275 S CB -0.300 62.587 63.200 -0.521 0.000 0.808 275 S HN 0.492 nan 8.310 nan 0.000 0.478 276 R N 1.419 121.679 120.500 -0.400 0.000 2.362 276 R HA 0.294 4.635 4.340 0.001 0.000 0.227 276 R C 2.341 178.495 176.300 -0.244 0.000 0.905 276 R CA 0.783 56.675 56.100 -0.346 0.000 1.067 276 R CB -1.207 28.814 30.300 -0.465 0.000 1.078 276 R HN 0.721 nan 8.270 nan 0.000 0.516 277 S N 1.042 116.602 115.700 -0.234 0.000 2.402 277 S HA -0.163 4.308 4.470 0.001 0.000 0.233 277 S C 1.165 175.676 174.600 -0.149 0.000 1.030 277 S CA 1.243 59.336 58.200 -0.178 0.000 1.003 277 S CB -0.082 63.016 63.200 -0.169 0.000 0.813 277 S HN 0.404 nan 8.310 nan 0.000 0.477 278 E N -0.312 119.796 120.200 -0.153 0.000 2.558 278 E HA 0.435 4.786 4.350 0.001 0.000 0.205 278 E C 0.654 177.184 176.600 -0.116 0.000 1.006 278 E CA -0.080 56.247 56.400 -0.122 0.000 0.961 278 E CB 0.355 29.989 29.700 -0.110 0.000 1.044 278 E HN 0.585 nan 8.360 nan 0.000 0.465 279 I N 0.420 120.911 120.570 -0.131 0.000 3.674 279 I HA 0.010 4.181 4.170 0.001 0.000 0.248 279 I C 0.540 176.581 176.117 -0.127 0.000 1.134 279 I CA 0.258 61.488 61.300 -0.116 0.000 1.519 279 I CB 0.663 38.605 38.000 -0.097 0.000 1.598 279 I HN -0.023 nan 8.210 nan 0.000 0.442 280 D N -0.037 120.292 120.400 -0.119 0.000 2.602 280 D HA 0.047 4.688 4.640 0.001 0.000 0.265 280 D C 1.288 177.528 176.300 -0.100 0.000 1.454 280 D CA -0.221 53.719 54.000 -0.099 0.000 0.795 280 D CB -0.291 40.493 40.800 -0.026 0.000 1.140 280 D HN 0.040 nan 8.370 nan 0.000 0.486 281 L N 0.302 121.448 121.223 -0.129 0.000 2.187 281 L HA 0.015 4.356 4.340 0.001 0.000 0.213 281 L C 1.721 178.511 176.870 -0.133 0.000 1.100 281 L CA 1.226 55.992 54.840 -0.122 0.000 0.765 281 L CB -0.470 41.507 42.059 -0.137 0.000 0.904 281 L HN 0.264 nan 8.230 nan 0.000 0.437 282 L N -0.728 120.389 121.223 -0.176 0.000 2.056 282 L HA -0.161 4.180 4.340 0.001 0.000 0.207 282 L C 1.883 178.481 176.870 -0.453 0.000 1.078 282 L CA 1.921 56.588 54.840 -0.288 0.000 0.749 282 L CB -0.809 41.093 42.059 -0.263 0.000 0.901 282 L HN 0.314 nan 8.230 nan 0.000 0.433 283 D N -0.553 119.686 120.400 -0.268 0.000 2.144 283 D HA -0.179 4.462 4.640 0.001 0.000 0.199 283 D C 2.274 178.563 176.300 -0.018 0.000 0.984 283 D CA 1.617 55.529 54.000 -0.146 0.000 0.834 283 D CB -0.069 40.712 40.800 -0.033 0.000 0.955 283 D HN 0.389 nan 8.370 nan 0.000 0.465 284 I N 0.569 121.143 120.570 0.007 0.000 2.226 284 I HA -0.249 3.922 4.170 0.001 0.000 0.245 284 I C 2.346 178.553 176.117 0.151 0.000 1.100 284 I CA 1.056 62.426 61.300 0.116 0.000 1.374 284 I CB -0.146 37.916 38.000 0.104 0.000 1.057 284 I HN -0.042 nan 8.210 nan 0.000 0.413 285 R N -0.222 120.302 120.500 0.039 0.000 2.091 285 R HA -0.187 4.154 4.340 0.001 0.000 0.238 285 R C 2.271 178.722 176.300 0.251 0.000 1.136 285 R CA 1.710 57.862 56.100 0.086 0.000 0.959 285 R CB -0.603 29.695 30.300 -0.004 0.000 0.856 285 R HN 0.552 nan 8.270 nan 0.000 0.437 286 H N -0.181 118.957 119.070 0.113 0.000 2.353 286 H HA -0.070 4.488 4.556 0.002 0.000 0.300 286 H C 1.999 177.399 175.328 0.119 0.000 1.090 286 H CA 0.585 56.693 56.048 0.101 0.000 1.327 286 H CB 0.215 30.016 29.762 0.066 0.000 1.383 286 H HN 0.160 nan 8.280 nan 0.000 0.508 287 E N 0.610 120.967 120.200 0.261 0.000 2.106 287 E HA -0.151 4.200 4.350 0.001 0.000 0.192 287 E C 1.998 178.711 176.600 0.189 0.000 0.984 287 E CA 0.524 57.028 56.400 0.173 0.000 0.806 287 E CB -0.355 29.441 29.700 0.159 0.000 0.750 287 E HN 0.377 nan 8.360 nan 0.000 0.458 288 F N 1.988 122.041 119.950 0.172 0.000 2.075 288 F HA -0.202 4.326 4.527 0.001 0.000 0.297 288 F C 2.597 178.530 175.800 0.221 0.000 1.113 288 F CA 1.627 59.797 58.000 0.284 0.000 1.218 288 F CB -0.058 39.077 39.000 0.225 0.000 0.984 288 F HN -0.095 nan 8.300 nan 0.000 0.472 289 R N 1.145 121.922 120.500 0.462 0.000 2.096 289 R HA -0.190 4.150 4.340 0.001 0.000 0.235 289 R C 2.088 178.454 176.300 0.109 0.000 1.127 289 R CA 2.223 58.500 56.100 0.294 0.000 0.968 289 R CB -0.514 29.919 30.300 0.222 0.000 0.861 289 R HN 0.470 nan 8.270 nan 0.000 0.440 290 K N -1.103 119.327 120.400 0.049 0.000 2.167 290 K HA 0.074 4.395 4.320 0.001 0.000 0.203 290 K C 1.230 177.729 176.600 -0.170 0.000 1.052 290 K CA 1.504 57.766 56.287 -0.043 0.000 0.956 290 K CB -0.056 32.427 32.500 -0.028 0.000 0.735 290 K HN 0.051 nan 8.250 nan 0.000 0.451 291 N N -0.469 118.040 118.700 -0.318 0.000 2.392 291 N HA 0.053 4.794 4.740 0.001 0.000 0.177 291 N C 0.012 174.867 175.510 -1.093 0.000 1.066 291 N CA 0.664 53.296 53.050 -0.697 0.000 0.895 291 N CB 0.256 38.206 38.487 -0.896 0.000 0.988 291 N HN 0.227 nan 8.380 nan 0.000 0.457 292 F N -0.286 119.441 119.950 -0.371 0.000 2.781 292 F HA 0.463 4.991 4.527 0.001 0.000 0.322 292 F C 0.991 176.655 175.800 -0.226 0.000 1.108 292 F CA -0.612 57.095 58.000 -0.488 0.000 1.179 292 F CB -0.003 38.431 39.000 -0.943 0.000 1.072 292 F HN -0.156 nan 8.300 nan 0.000 0.545 293 A N 1.104 123.912 122.820 -0.021 0.000 2.799 293 A HA -0.267 4.054 4.320 0.001 0.000 0.287 293 A C 0.462 178.111 177.584 0.108 0.000 1.484 293 A CA 1.734 53.790 52.037 0.033 0.000 0.813 293 A CB -2.410 16.594 19.000 0.007 0.000 1.009 293 A HN 0.593 nan 8.150 nan 0.000 0.545 294 K N -1.625 118.893 120.400 0.197 0.000 2.575 294 K HA 0.680 5.001 4.320 0.001 0.000 0.279 294 K C -0.297 176.546 176.600 0.406 0.000 0.969 294 K CA -0.216 56.231 56.287 0.267 0.000 0.868 294 K CB 1.053 33.730 32.500 0.295 0.000 1.457 294 K HN 0.902 nan 8.250 nan 0.000 0.426 295 S N 0.965 116.833 115.700 0.280 0.000 2.610 295 S HA 0.161 4.632 4.470 0.001 0.000 0.273 295 S C 0.878 175.486 174.600 0.014 0.000 1.274 295 S CA -0.849 57.472 58.200 0.202 0.000 1.023 295 S CB 1.187 64.460 63.200 0.121 0.000 0.962 295 S HN 0.710 nan 8.310 nan 0.000 0.523 296 L N 1.887 122.905 121.223 -0.342 0.000 2.056 296 L HA 0.030 4.371 4.340 0.001 0.000 0.207 296 L C 2.068 178.749 176.870 -0.315 0.000 1.078 296 L CA 1.762 56.099 54.840 -0.838 0.000 0.749 296 L CB -1.352 40.246 42.059 -0.768 0.000 0.901 296 L HN 0.906 nan 8.230 nan 0.000 0.433 297 Y N 0.407 120.572 120.300 -0.224 0.000 2.114 297 Y HA -0.350 4.201 4.550 0.002 0.000 0.282 297 Y C 2.848 178.685 175.900 -0.105 0.000 1.165 297 Y CA 2.505 60.521 58.100 -0.140 0.000 1.148 297 Y CB -0.367 38.043 38.460 -0.083 0.000 0.972 297 Y HN 0.483 nan 8.280 nan 0.000 0.504 298 Q N -0.463 119.456 119.800 0.199 0.000 2.084 298 Q HA -0.262 4.079 4.340 0.001 0.000 0.202 298 Q C 2.398 178.423 176.000 0.042 0.000 0.978 298 Q CA 1.906 57.794 55.803 0.141 0.000 0.844 298 Q CB -0.235 28.583 28.738 0.133 0.000 0.898 298 Q HN 0.638 nan 8.270 nan 0.000 0.426 299 M N 0.018 119.622 119.600 0.007 0.000 2.132 299 M HA -0.120 4.361 4.480 0.001 0.000 0.263 299 M C 1.782 178.034 176.300 -0.080 0.000 1.065 299 M CA 1.364 56.663 55.300 -0.003 0.000 1.122 299 M CB 0.045 32.676 32.600 0.052 0.000 1.365 299 M HN 0.275 nan 8.290 nan 0.000 0.411 300 I N -0.529 119.944 120.570 -0.162 0.000 2.252 300 I HA -0.312 3.859 4.170 0.001 0.000 0.245 300 I C 2.513 178.512 176.117 -0.196 0.000 1.102 300 I CA 1.447 62.620 61.300 -0.213 0.000 1.385 300 I CB -0.590 37.220 38.000 -0.317 0.000 1.064 300 I HN 0.465 nan 8.210 nan 0.000 0.414 301 Q N 1.294 120.979 119.800 -0.193 0.000 2.135 301 Q HA -0.281 4.060 4.340 0.001 0.000 0.204 301 Q C 2.221 178.181 176.000 -0.066 0.000 0.981 301 Q CA 1.803 57.523 55.803 -0.138 0.000 0.856 301 Q CB 0.005 28.707 28.738 -0.061 0.000 0.902 301 Q HN 0.354 nan 8.270 nan 0.000 0.425 302 K N -0.454 119.923 120.400 -0.040 0.000 2.228 302 K HA -0.116 4.205 4.320 0.001 0.000 0.202 302 K C 0.687 177.273 176.600 -0.022 0.000 1.051 302 K CA 1.464 57.741 56.287 -0.017 0.000 0.960 302 K CB 0.242 32.743 32.500 0.002 0.000 0.743 302 K HN 0.124 nan 8.250 nan 0.000 0.458 303 D N 0.166 120.543 120.400 -0.038 0.000 2.346 303 D HA -0.013 4.627 4.640 0.001 0.000 0.206 303 D C 0.199 176.499 176.300 0.001 0.000 1.001 303 D CA 0.633 54.619 54.000 -0.023 0.000 0.871 303 D CB 0.657 41.437 40.800 -0.035 0.000 0.943 303 D HN 0.338 nan 8.370 nan 0.000 0.518 304 T N -2.792 111.745 114.554 -0.028 0.000 2.910 304 T HA 0.755 5.106 4.350 0.001 0.000 0.287 304 T C -0.163 174.542 174.700 0.009 0.000 1.050 304 T CA -0.667 61.443 62.100 0.017 0.000 1.011 304 T CB 2.065 70.853 68.868 -0.134 0.000 1.195 304 T HN -0.039 nan 8.240 nan 0.000 0.540 305 S N -1.294 114.449 115.700 0.072 0.000 2.656 305 S HA 0.835 5.306 4.470 0.001 0.000 0.273 305 S C 0.567 175.199 174.600 0.053 0.000 1.168 305 S CA -0.140 58.081 58.200 0.035 0.000 0.817 305 S CB 0.857 64.074 63.200 0.029 0.000 1.146 305 S HN 2.489 nan 8.310 nan 0.000 0.475 306 G N 1.300 110.099 108.800 -0.000 0.000 2.601 306 G HA2 -0.233 3.727 3.960 0.001 0.000 0.261 306 G HA3 -0.233 3.727 3.960 0.001 0.000 0.261 306 G C 0.061 174.921 174.900 -0.066 0.000 1.289 306 G CA 0.626 45.705 45.100 -0.036 0.000 0.920 306 G HN 0.824 nan 8.290 nan 0.000 0.571 307 D N -0.960 119.334 120.400 -0.178 0.000 2.218 307 D HA -0.072 4.569 4.640 0.001 0.000 0.204 307 D C 1.873 178.166 176.300 -0.012 0.000 0.976 307 D CA 1.894 55.713 54.000 -0.303 0.000 0.853 307 D CB -0.152 40.084 40.800 -0.938 0.000 0.939 307 D HN 0.448 nan 8.370 nan 0.000 0.481 308 Y N 2.236 122.536 120.300 0.000 0.000 2.097 308 Y HA -0.221 4.329 4.550 0.001 0.000 0.282 308 Y C 2.449 178.383 175.900 0.057 0.000 1.152 308 Y CA 1.800 60.006 58.100 0.176 0.000 1.136 308 Y CB -0.339 38.192 38.460 0.117 0.000 0.975 308 Y HN -0.187 nan 8.280 nan 0.000 0.498 309 R N 0.683 121.118 120.500 -0.109 0.000 2.073 309 R HA -0.201 4.140 4.340 0.001 0.000 0.234 309 R C 2.509 178.692 176.300 -0.195 0.000 1.134 309 R CA 2.029 57.977 56.100 -0.254 0.000 0.952 309 R CB -0.414 29.795 30.300 -0.151 0.000 0.850 309 R HN 0.369 nan 8.270 nan 0.000 0.433 310 K N -0.161 120.179 120.400 -0.100 0.000 2.074 310 K HA -0.170 4.151 4.320 0.001 0.000 0.209 310 K C 1.928 178.496 176.600 -0.053 0.000 1.048 310 K CA 1.672 57.916 56.287 -0.072 0.000 0.926 310 K CB -0.210 32.263 32.500 -0.044 0.000 0.713 310 K HN 0.316 nan 8.250 nan 0.000 0.444 311 A N 1.092 123.916 122.820 0.007 0.000 1.898 311 A HA -0.100 4.221 4.320 0.001 0.000 0.216 311 A C 2.116 179.655 177.584 -0.075 0.000 1.181 311 A CA 1.162 53.217 52.037 0.031 0.000 0.620 311 A CB -0.552 18.551 19.000 0.171 0.000 0.819 311 A HN 0.312 nan 8.150 nan 0.000 0.442 312 L N -0.574 120.544 121.223 -0.175 0.000 2.042 312 L HA -0.195 4.146 4.340 0.001 0.000 0.210 312 L C 2.544 179.268 176.870 -0.243 0.000 1.076 312 L CA 1.182 55.872 54.840 -0.250 0.000 0.749 312 L CB -0.524 41.286 42.059 -0.415 0.000 0.893 312 L HN 0.385 nan 8.230 nan 0.000 0.432 313 L N -0.767 120.286 121.223 -0.285 0.000 2.141 313 L HA -0.214 4.127 4.340 0.001 0.000 0.209 313 L C 2.466 179.262 176.870 -0.123 0.000 1.094 313 L CA 0.972 55.604 54.840 -0.347 0.000 0.763 313 L CB -0.366 41.397 42.059 -0.494 0.000 0.908 313 L HN 0.285 nan 8.230 nan 0.000 0.437 314 L N -0.643 120.537 121.223 -0.072 0.000 2.093 314 L HA -0.202 4.139 4.340 0.001 0.000 0.208 314 L C 2.472 179.327 176.870 -0.025 0.000 1.085 314 L CA 1.004 55.837 54.840 -0.013 0.000 0.755 314 L CB -0.291 41.765 42.059 -0.006 0.000 0.904 314 L HN 0.264 nan 8.230 nan 0.000 0.435 315 L N -1.257 119.929 121.223 -0.062 0.000 2.027 315 L HA -0.282 4.059 4.340 0.001 0.000 0.206 315 L C 2.828 179.657 176.870 -0.068 0.000 1.074 315 L CA 1.093 55.890 54.840 -0.071 0.000 0.745 315 L CB -0.596 41.405 42.059 -0.096 0.000 0.898 315 L HN 0.429 nan 8.230 nan 0.000 0.433 316 C N 0.284 119.534 119.300 -0.082 0.000 2.413 316 C HA 0.066 4.527 4.460 0.001 0.000 0.277 316 C C 1.661 176.655 174.990 0.007 0.000 1.265 316 C CA 0.641 59.623 59.018 -0.060 0.000 1.752 316 C CB -1.629 26.059 27.740 -0.086 0.000 1.998 316 C HN 0.743 nan 8.230 nan 0.000 0.489 317 G N 0.000 108.827 108.800 0.045 0.000 5.446 317 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 317 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 317 G CA 0.000 45.139 45.100 0.064 0.000 0.502 317 G HN 0.000 nan 8.290 nan 0.000 0.925