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 3e4o_1_A DATA FIRST_RESID 55 DATA SEQUENCE AGLAGQSRID ASLKASLLRA VVERQRALPL VLADDAAIRG ALLSPDRPSL DATA SEQUENCE DRINRKLEAL ATSAEAAVIY LIDRSGVAVA ASNWQEPTSF VGNDYAFRDY DATA SEQUENCE FRLAVRDGXA EHFAXGTVSK RPGLYISRRV DGPGGPLGVI VAKLEFDGVE DATA SEQUENCE ADWQASGKPA YVTDRRGIVL ITSLPSWRFX TTKPIAEDRL APIRESLQFG DATA SEQUENCE DAPLLPLPFR KIEARPDGSS TLDALLPGDS TAAFLRVETX VPSTNWRLEQ DATA SEQUENCE LSPL 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 55 A HA 0.000 nan 4.320 nan 0.000 0.244 55 A C 0.000 177.574 177.584 -0.016 0.000 1.274 55 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 55 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 56 G N 0.140 108.931 108.800 -0.015 0.000 2.511 56 G HA2 0.181 4.141 3.960 -0.000 0.000 0.217 56 G HA3 0.181 4.141 3.960 -0.000 0.000 0.217 56 G C 1.347 176.238 174.900 -0.015 0.000 1.133 56 G CA 1.422 46.514 45.100 -0.014 0.000 0.792 56 G HN 0.687 nan 8.290 nan 0.000 0.539 57 L N 1.308 122.520 121.223 -0.018 0.000 2.072 57 L HA 0.305 4.645 4.340 -0.000 0.000 0.205 57 L C 2.933 179.790 176.870 -0.020 0.000 1.079 57 L CA 1.955 56.784 54.840 -0.019 0.000 0.752 57 L CB -0.709 41.337 42.059 -0.021 0.000 0.906 57 L HN 0.172 nan 8.230 nan 0.000 0.436 58 A N -0.382 122.424 122.820 -0.022 0.000 1.940 58 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 58 A C 2.313 179.881 177.584 -0.026 0.000 1.176 58 A CA 1.612 53.634 52.037 -0.025 0.000 0.631 58 A CB -1.561 17.424 19.000 -0.024 0.000 0.814 58 A HN 0.532 nan 8.150 nan 0.000 0.446 59 G N -1.103 107.684 108.800 -0.021 0.000 2.404 59 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 59 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 59 G C 1.625 176.513 174.900 -0.020 0.000 1.174 59 G CA 1.260 46.349 45.100 -0.020 0.000 0.780 59 G HN 0.526 nan 8.290 nan 0.000 0.537 60 Q N 1.096 120.885 119.800 -0.018 0.000 2.084 60 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 60 Q C 2.730 178.716 176.000 -0.025 0.000 0.978 60 Q CA 1.976 57.769 55.803 -0.018 0.000 0.844 60 Q CB -0.576 28.154 28.738 -0.013 0.000 0.898 60 Q HN 0.376 nan 8.270 nan 0.000 0.426 61 S N 0.051 115.734 115.700 -0.029 0.000 2.383 61 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 61 S C 1.846 176.412 174.600 -0.056 0.000 1.030 61 S CA 1.294 59.469 58.200 -0.042 0.000 1.002 61 S CB -0.234 62.942 63.200 -0.040 0.000 0.829 61 S HN 0.380 nan 8.310 nan 0.000 0.467 62 R N 0.496 120.967 120.500 -0.047 0.000 2.073 62 R HA 0.022 4.362 4.340 -0.000 0.000 0.234 62 R C 2.212 178.485 176.300 -0.045 0.000 1.134 62 R CA 1.373 57.443 56.100 -0.049 0.000 0.952 62 R CB -0.470 29.808 30.300 -0.038 0.000 0.850 62 R HN 0.357 nan 8.270 nan 0.000 0.433 63 I N 0.933 121.483 120.570 -0.034 0.000 2.208 63 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 63 I C 1.561 177.659 176.117 -0.031 0.000 1.097 63 I CA 1.387 62.672 61.300 -0.025 0.000 1.363 63 I CB -0.172 37.818 38.000 -0.016 0.000 1.051 63 I HN 0.151 nan 8.210 nan 0.000 0.413 64 D N 0.562 120.937 120.400 -0.041 0.000 2.149 64 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 64 D C 2.256 178.501 176.300 -0.091 0.000 0.972 64 D CA 1.408 55.377 54.000 -0.051 0.000 0.835 64 D CB -0.139 40.631 40.800 -0.050 0.000 0.966 64 D HN 0.349 nan 8.370 nan 0.000 0.476 65 A N 0.379 123.132 122.820 -0.112 0.000 1.930 65 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 65 A C 2.373 179.889 177.584 -0.114 0.000 1.175 65 A CA 1.620 53.562 52.037 -0.159 0.000 0.627 65 A CB -0.520 18.386 19.000 -0.157 0.000 0.815 65 A HN 0.166 nan 8.150 nan 0.000 0.443 66 S N -0.931 114.728 115.700 -0.068 0.000 2.383 66 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 66 S C 1.856 176.448 174.600 -0.013 0.000 1.026 66 S CA 1.298 59.477 58.200 -0.036 0.000 0.981 66 S CB -0.358 62.827 63.200 -0.024 0.000 0.818 66 S HN 0.444 nan 8.310 nan 0.000 0.472 67 L N 1.878 123.094 121.223 -0.012 0.000 2.056 67 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 67 L C 2.050 178.949 176.870 0.048 0.000 1.078 67 L CA 1.821 56.673 54.840 0.020 0.000 0.749 67 L CB -0.651 41.422 42.059 0.023 0.000 0.901 67 L HN 0.144 nan 8.230 nan 0.000 0.433 68 K N -0.522 119.880 120.400 0.003 0.000 2.032 68 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 68 K C 2.049 178.725 176.600 0.126 0.000 1.048 68 K CA 1.593 57.904 56.287 0.041 0.000 0.927 68 K CB -0.465 31.833 32.500 -0.336 0.000 0.712 68 K HN 0.462 nan 8.250 nan 0.000 0.441 69 A N 0.765 123.607 122.820 0.035 0.000 1.930 69 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 69 A C 2.247 179.902 177.584 0.119 0.000 1.175 69 A CA 1.870 53.959 52.037 0.087 0.000 0.627 69 A CB -0.579 18.437 19.000 0.027 0.000 0.815 69 A HN 0.258 nan 8.150 nan 0.000 0.443 70 S N -0.326 115.426 115.700 0.087 0.000 2.348 70 S HA -0.105 4.365 4.470 -0.000 0.000 0.221 70 S C 1.919 176.586 174.600 0.111 0.000 1.033 70 S CA 1.488 59.737 58.200 0.082 0.000 1.010 70 S CB -0.491 62.743 63.200 0.057 0.000 0.891 70 S HN 0.496 nan 8.310 nan 0.000 0.442 71 L N 0.932 122.237 121.223 0.137 0.000 2.127 71 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 71 L C 2.441 179.434 176.870 0.205 0.000 1.089 71 L CA 0.833 55.770 54.840 0.161 0.000 0.757 71 L CB -0.503 41.663 42.059 0.180 0.000 0.899 71 L HN 0.359 nan 8.230 nan 0.000 0.434 72 L N -0.163 121.220 121.223 0.266 0.000 2.044 72 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 72 L C 2.761 179.794 176.870 0.271 0.000 1.075 72 L CA 1.535 56.572 54.840 0.328 0.000 0.747 72 L CB -0.679 41.639 42.059 0.431 0.000 0.903 72 L HN 0.123 nan 8.230 nan 0.000 0.435 73 R N 0.030 120.643 120.500 0.189 0.000 2.103 73 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 73 R C 1.978 178.339 176.300 0.101 0.000 1.142 73 R CA 1.791 57.959 56.100 0.112 0.000 0.960 73 R CB -0.554 29.788 30.300 0.069 0.000 0.858 73 R HN 0.522 nan 8.270 nan 0.000 0.439 74 A N 0.207 123.091 122.820 0.106 0.000 1.969 74 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 74 A C 2.380 180.017 177.584 0.088 0.000 1.169 74 A CA 1.281 53.367 52.037 0.081 0.000 0.635 74 A CB -0.342 18.701 19.000 0.071 0.000 0.810 74 A HN 0.218 nan 8.150 nan 0.000 0.445 75 V N -0.305 119.688 119.914 0.131 0.000 2.261 75 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 75 V C 2.596 178.764 176.094 0.123 0.000 1.047 75 V CA 2.068 64.444 62.300 0.127 0.000 1.015 75 V CB -0.846 31.093 31.823 0.193 0.000 0.642 75 V HN 0.380 nan 8.190 nan 0.000 0.446 76 V N -0.165 119.865 119.914 0.194 0.000 2.233 76 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 76 V C 2.413 178.543 176.094 0.061 0.000 1.050 76 V CA 2.344 64.738 62.300 0.157 0.000 1.010 76 V CB -0.751 31.149 31.823 0.129 0.000 0.637 76 V HN 0.595 nan 8.190 nan 0.000 0.444 77 E N -0.457 119.768 120.200 0.041 0.000 2.153 77 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 77 E C 2.495 179.103 176.600 0.014 0.000 0.988 77 E CA 0.918 57.328 56.400 0.016 0.000 0.811 77 E CB -0.142 29.565 29.700 0.012 0.000 0.746 77 E HN 0.507 nan 8.360 nan 0.000 0.466 78 R N 0.299 120.812 120.500 0.021 0.000 2.081 78 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 78 R C 2.167 178.465 176.300 -0.003 0.000 1.131 78 R CA 1.048 57.154 56.100 0.009 0.000 0.960 78 R CB 0.003 30.310 30.300 0.011 0.000 0.856 78 R HN 0.127 nan 8.270 nan 0.000 0.436 79 Q N 0.020 119.817 119.800 -0.005 0.000 2.389 79 Q HA -0.006 4.334 4.340 -0.000 0.000 0.204 79 Q C 1.761 177.748 176.000 -0.022 0.000 0.944 79 Q CA 0.696 56.486 55.803 -0.023 0.000 0.908 79 Q CB 0.050 28.761 28.738 -0.044 0.000 1.002 79 Q HN 0.309 nan 8.270 nan 0.000 0.493 80 R N 0.422 120.916 120.500 -0.010 0.000 2.193 80 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 80 R C 1.964 178.254 176.300 -0.018 0.000 1.110 80 R CA 1.052 57.143 56.100 -0.014 0.000 0.988 80 R CB -0.184 30.110 30.300 -0.010 0.000 0.871 80 R HN 0.173 nan 8.270 nan 0.000 0.458 81 A N 0.663 123.473 122.820 -0.016 0.000 2.016 81 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 81 A C 1.933 179.504 177.584 -0.021 0.000 1.162 81 A CA 0.621 52.648 52.037 -0.016 0.000 0.662 81 A CB -0.134 18.859 19.000 -0.012 0.000 0.812 81 A HN 0.181 nan 8.150 nan 0.000 0.450 82 L N 0.546 121.753 121.223 -0.027 0.000 2.023 82 L HA 0.041 4.381 4.340 -0.000 0.000 0.205 82 L C -0.897 175.951 176.870 -0.036 0.000 1.073 82 L CA 2.074 56.895 54.840 -0.031 0.000 0.745 82 L CB -0.999 41.037 42.059 -0.038 0.000 0.900 82 L HN 0.158 nan 8.230 nan 0.000 0.435 83 P HA -0.153 nan 4.420 nan 0.000 0.220 83 P C 1.982 179.260 177.300 -0.036 0.000 1.148 83 P CA 1.053 64.123 63.100 -0.051 0.000 0.803 83 P CB -0.097 31.563 31.700 -0.066 0.000 0.782 84 L N -0.292 120.913 121.223 -0.029 0.000 2.056 84 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 84 L C 2.371 179.229 176.870 -0.019 0.000 1.078 84 L CA 1.581 56.408 54.840 -0.022 0.000 0.749 84 L CB -1.214 40.834 42.059 -0.018 0.000 0.901 84 L HN -0.189 nan 8.230 nan 0.000 0.433 85 V N -0.954 118.949 119.914 -0.019 0.000 2.719 85 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 85 V C 2.283 178.368 176.094 -0.016 0.000 1.065 85 V CA 1.415 63.706 62.300 -0.016 0.000 1.086 85 V CB -0.044 31.771 31.823 -0.014 0.000 0.700 85 V HN 0.465 nan 8.190 nan 0.000 0.467 86 L N -0.172 121.039 121.223 -0.019 0.000 2.240 86 L HA 0.048 4.388 4.340 -0.000 0.000 0.211 86 L C 2.649 179.509 176.870 -0.016 0.000 1.106 86 L CA 1.128 55.957 54.840 -0.018 0.000 0.793 86 L CB -0.629 41.416 42.059 -0.022 0.000 0.927 86 L HN 0.382 nan 8.230 nan 0.000 0.446 87 A N -0.351 122.458 122.820 -0.018 0.000 1.969 87 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 87 A C 1.651 179.228 177.584 -0.011 0.000 1.169 87 A CA 1.584 53.611 52.037 -0.015 0.000 0.635 87 A CB -0.297 18.691 19.000 -0.020 0.000 0.810 87 A HN 0.368 nan 8.150 nan 0.000 0.445 88 D N 0.124 120.517 120.400 -0.011 0.000 2.328 88 D HA 0.002 4.642 4.640 -0.000 0.000 0.221 88 D C -0.213 176.083 176.300 -0.008 0.000 1.072 88 D CA 0.045 54.040 54.000 -0.009 0.000 0.850 88 D CB 0.030 40.824 40.800 -0.009 0.000 0.922 88 D HN 0.455 nan 8.370 nan 0.000 0.516 89 D N 0.916 121.311 120.400 -0.008 0.000 2.325 89 D HA 0.180 4.819 4.640 -0.000 0.000 0.251 89 D C 1.191 177.488 176.300 -0.006 0.000 1.196 89 D CA -0.310 53.685 54.000 -0.007 0.000 0.866 89 D CB 1.667 42.462 40.800 -0.009 0.000 1.101 89 D HN -0.069 nan 8.370 nan 0.000 0.476 90 A N 4.346 127.163 122.820 -0.006 0.000 1.917 90 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 90 A C 2.128 179.709 177.584 -0.006 0.000 1.182 90 A CA 2.133 54.167 52.037 -0.005 0.000 0.633 90 A CB -0.536 18.461 19.000 -0.005 0.000 0.819 90 A HN 0.699 nan 8.150 nan 0.000 0.448 91 A N -0.410 122.405 122.820 -0.008 0.000 1.933 91 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 91 A C 2.030 179.609 177.584 -0.009 0.000 1.175 91 A CA 1.546 53.577 52.037 -0.010 0.000 0.628 91 A CB -0.410 18.582 19.000 -0.014 0.000 0.814 91 A HN 0.435 nan 8.150 nan 0.000 0.444 92 I N -0.652 119.914 120.570 -0.006 0.000 2.193 92 I HA -0.152 4.018 4.170 -0.000 0.000 0.240 92 I C 2.540 178.660 176.117 0.004 0.000 1.084 92 I CA 1.498 62.798 61.300 -0.000 0.000 1.365 92 I CB -1.249 36.751 38.000 -0.000 0.000 1.064 92 I HN 0.400 nan 8.210 nan 0.000 0.410 93 R N 0.823 121.325 120.500 0.002 0.000 2.083 93 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 93 R C 2.375 178.678 176.300 0.005 0.000 1.137 93 R CA 1.832 57.934 56.100 0.005 0.000 0.951 93 R CB -0.577 29.724 30.300 0.001 0.000 0.851 93 R HN 0.438 nan 8.270 nan 0.000 0.434 94 G N -0.268 108.532 108.800 0.000 0.000 2.442 94 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 94 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 94 G C 1.451 176.350 174.900 -0.001 0.000 1.141 94 G CA 0.829 45.929 45.100 -0.001 0.000 0.763 94 G HN 0.491 nan 8.290 nan 0.000 0.554 95 A N 0.243 123.062 122.820 -0.002 0.000 1.969 95 A HA 0.214 4.534 4.320 -0.000 0.000 0.218 95 A C 2.392 179.981 177.584 0.009 0.000 1.169 95 A CA 0.962 52.998 52.037 -0.002 0.000 0.635 95 A CB -0.251 18.745 19.000 -0.006 0.000 0.810 95 A HN 0.361 nan 8.150 nan 0.000 0.445 96 L N -0.920 120.313 121.223 0.017 0.000 2.109 96 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 96 L C 2.449 179.332 176.870 0.022 0.000 1.086 96 L CA 0.631 55.487 54.840 0.027 0.000 0.760 96 L CB -0.435 41.645 42.059 0.035 0.000 0.910 96 L HN 0.351 nan 8.230 nan 0.000 0.437 97 L N -1.359 119.873 121.223 0.014 0.000 2.056 97 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 97 L C 1.213 178.089 176.870 0.009 0.000 1.078 97 L CA 0.881 55.727 54.840 0.011 0.000 0.749 97 L CB -0.087 41.976 42.059 0.007 0.000 0.901 97 L HN 0.042 nan 8.230 nan 0.000 0.433 98 S N -0.318 115.386 115.700 0.005 0.000 2.259 98 S HA 0.306 4.776 4.470 -0.000 0.000 0.181 98 S C -2.331 172.269 174.600 -0.000 0.000 1.589 98 S CA -1.102 57.099 58.200 0.002 0.000 1.234 98 S CB 0.769 63.968 63.200 -0.001 0.000 1.119 98 S HN -0.068 nan 8.310 nan 0.000 0.458 99 P HA 0.171 nan 4.420 nan 0.000 0.228 99 P C -0.558 176.740 177.300 -0.005 0.000 1.748 99 P CA -0.310 62.791 63.100 0.002 0.000 0.909 99 P CB -1.006 30.701 31.700 0.012 0.000 1.882 100 D N -1.214 119.180 120.400 -0.010 0.000 2.354 100 D HA 0.102 4.742 4.640 -0.000 0.000 0.247 100 D C 1.492 177.777 176.300 -0.025 0.000 1.138 100 D CA -0.739 53.252 54.000 -0.014 0.000 0.958 100 D CB 0.921 41.713 40.800 -0.012 0.000 1.144 100 D HN -0.246 nan 8.370 nan 0.000 0.458 101 R N 0.702 121.187 120.500 -0.025 0.000 2.094 101 R HA -0.077 4.263 4.340 -0.000 0.000 0.239 101 R C -0.949 175.318 176.300 -0.055 0.000 1.137 101 R CA 1.746 57.824 56.100 -0.037 0.000 0.943 101 R CB -1.757 28.527 30.300 -0.026 0.000 0.850 101 R HN 0.451 nan 8.270 nan 0.000 0.433 102 P HA -0.085 nan 4.420 nan 0.000 0.215 102 P C 1.114 178.376 177.300 -0.062 0.000 1.157 102 P CA 1.802 64.872 63.100 -0.051 0.000 0.874 102 P CB -0.082 31.598 31.700 -0.034 0.000 0.790 103 S N -0.860 114.811 115.700 -0.050 0.000 2.368 103 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 103 S C 1.853 176.412 174.600 -0.069 0.000 1.029 103 S CA 1.041 59.212 58.200 -0.049 0.000 0.988 103 S CB -1.032 62.149 63.200 -0.031 0.000 0.838 103 S HN 0.099 nan 8.310 nan 0.000 0.462 104 L N 1.041 122.219 121.223 -0.075 0.000 2.093 104 L HA -0.110 4.229 4.340 -0.000 0.000 0.208 104 L C 2.358 179.118 176.870 -0.182 0.000 1.085 104 L CA 1.307 56.090 54.840 -0.096 0.000 0.755 104 L CB -0.600 41.418 42.059 -0.068 0.000 0.904 104 L HN 0.264 nan 8.230 nan 0.000 0.435 105 D N 0.257 120.533 120.400 -0.207 0.000 2.149 105 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 105 D C 2.328 178.454 176.300 -0.290 0.000 0.990 105 D CA 1.324 55.129 54.000 -0.326 0.000 0.839 105 D CB 0.145 40.791 40.800 -0.257 0.000 0.948 105 D HN 0.066 nan 8.370 nan 0.000 0.460 106 R N -0.407 119.990 120.500 -0.172 0.000 2.092 106 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 106 R C 2.052 178.280 176.300 -0.120 0.000 1.119 106 R CA 0.781 56.807 56.100 -0.124 0.000 0.970 106 R CB -0.105 30.149 30.300 -0.076 0.000 0.864 106 R HN 0.301 nan 8.270 nan 0.000 0.440 107 I N 1.317 121.815 120.570 -0.120 0.000 2.315 107 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 107 I C 1.735 177.780 176.117 -0.120 0.000 1.117 107 I CA 1.176 62.423 61.300 -0.088 0.000 1.404 107 I CB -1.289 36.678 38.000 -0.054 0.000 1.071 107 I HN 0.118 nan 8.210 nan 0.000 0.419 108 N N 1.234 119.782 118.700 -0.253 0.000 2.069 108 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 108 N C 1.978 177.318 175.510 -0.282 0.000 1.031 108 N CA 1.271 54.067 53.050 -0.424 0.000 0.852 108 N CB -0.271 37.575 38.487 -1.068 0.000 1.018 108 N HN 0.377 nan 8.380 nan 0.000 0.423 109 R N 0.910 121.257 120.500 -0.255 0.000 2.075 109 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 109 R C 2.176 178.492 176.300 0.026 0.000 1.126 109 R CA 0.956 57.045 56.100 -0.018 0.000 0.963 109 R CB -0.172 30.107 30.300 -0.034 0.000 0.858 109 R HN 0.306 nan 8.270 nan 0.000 0.435 110 K N 1.399 121.788 120.400 -0.017 0.000 2.026 110 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 110 K C 2.072 178.682 176.600 0.017 0.000 1.048 110 K CA 1.212 57.499 56.287 -0.001 0.000 0.929 110 K CB -0.079 32.411 32.500 -0.017 0.000 0.713 110 K HN 0.125 nan 8.250 nan 0.000 0.439 111 L N 0.971 122.206 121.223 0.021 0.000 2.083 111 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 111 L C 2.747 179.656 176.870 0.066 0.000 1.083 111 L CA 1.465 56.331 54.840 0.042 0.000 0.752 111 L CB -0.524 41.568 42.059 0.056 0.000 0.899 111 L HN 0.432 nan 8.230 nan 0.000 0.433 112 E N 0.658 120.927 120.200 0.116 0.000 2.051 112 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 112 E C 2.217 178.857 176.600 0.066 0.000 0.991 112 E CA 1.348 57.826 56.400 0.130 0.000 0.799 112 E CB 0.020 29.878 29.700 0.264 0.000 0.748 112 E HN 0.452 nan 8.360 nan 0.000 0.449 113 A N 0.947 123.803 122.820 0.060 0.000 1.930 113 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 113 A C 2.209 179.802 177.584 0.015 0.000 1.175 113 A CA 0.919 52.976 52.037 0.033 0.000 0.627 113 A CB -0.531 18.487 19.000 0.030 0.000 0.815 113 A HN 0.309 nan 8.150 nan 0.000 0.443 114 L N -0.935 120.296 121.223 0.014 0.000 2.093 114 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 114 L C 3.043 179.908 176.870 -0.007 0.000 1.085 114 L CA 0.990 55.830 54.840 0.001 0.000 0.755 114 L CB -0.435 41.624 42.059 -0.000 0.000 0.904 114 L HN 0.441 nan 8.230 nan 0.000 0.435 115 A N -0.586 122.232 122.820 -0.004 0.000 1.968 115 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 115 A C 2.315 179.882 177.584 -0.029 0.000 1.169 115 A CA 1.927 53.952 52.037 -0.020 0.000 0.638 115 A CB -0.727 18.262 19.000 -0.019 0.000 0.812 115 A HN 0.368 nan 8.150 nan 0.000 0.446 116 T N 0.412 114.954 114.554 -0.018 0.000 2.684 116 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 116 T C 2.139 176.825 174.700 -0.024 0.000 1.036 116 T CA 1.918 64.005 62.100 -0.022 0.000 1.148 116 T CB -0.329 68.532 68.868 -0.012 0.000 0.863 116 T HN 0.495 nan 8.240 nan 0.000 0.436 117 S N 0.925 116.614 115.700 -0.018 0.000 2.453 117 S HA 0.362 4.832 4.470 -0.000 0.000 0.231 117 S C 0.997 175.583 174.600 -0.024 0.000 1.005 117 S CA 0.250 58.439 58.200 -0.018 0.000 0.949 117 S CB -0.093 63.099 63.200 -0.012 0.000 0.774 117 S HN 0.633 nan 8.310 nan 0.000 0.510 118 A N 0.987 123.789 122.820 -0.031 0.000 2.294 118 A HA 0.532 4.852 4.320 -0.000 0.000 0.330 118 A C 0.678 178.229 177.584 -0.055 0.000 1.133 118 A CA -0.617 51.397 52.037 -0.039 0.000 0.836 118 A CB 0.660 19.636 19.000 -0.040 0.000 1.190 118 A HN 0.196 nan 8.150 nan 0.000 0.492 119 E N 0.515 120.677 120.200 -0.063 0.000 2.267 119 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 119 E C 0.974 177.497 176.600 -0.129 0.000 0.998 119 E CA 0.885 57.231 56.400 -0.090 0.000 0.830 119 E CB -0.130 29.517 29.700 -0.088 0.000 0.751 119 E HN 0.730 nan 8.360 nan 0.000 0.491 120 A N 0.621 123.370 122.820 -0.117 0.000 2.477 120 A HA 0.310 4.630 4.320 -0.000 0.000 0.246 120 A C 1.209 178.720 177.584 -0.122 0.000 1.078 120 A CA 0.594 52.548 52.037 -0.138 0.000 0.770 120 A CB 0.574 19.509 19.000 -0.108 0.000 1.011 120 A HN 0.241 nan 8.150 nan 0.000 0.494 121 A N 2.429 125.163 122.820 -0.142 0.000 1.897 121 A HA 0.372 4.691 4.320 -0.000 0.000 0.215 121 A C 0.738 178.263 177.584 -0.098 0.000 1.181 121 A CA 1.617 53.584 52.037 -0.117 0.000 0.620 121 A CB -0.158 18.769 19.000 -0.123 0.000 0.821 121 A HN 1.063 nan 8.150 nan 0.000 0.443 122 V N -0.085 119.786 119.914 -0.071 0.000 2.760 122 V HA 0.483 4.603 4.120 -0.000 0.000 0.309 122 V C -1.158 174.982 176.094 0.078 0.000 1.077 122 V CA -0.438 61.840 62.300 -0.036 0.000 0.910 122 V CB 1.806 33.557 31.823 -0.119 0.000 1.008 122 V HN 0.319 nan 8.190 nan 0.000 0.424 123 I N 5.047 125.678 120.570 0.103 0.000 2.465 123 I HA 0.683 4.853 4.170 -0.000 0.000 0.291 123 I C -0.994 175.270 176.117 0.245 0.000 1.014 123 I CA -0.619 60.748 61.300 0.111 0.000 1.093 123 I CB 1.746 39.760 38.000 0.024 0.000 1.267 123 I HN 0.798 nan 8.210 nan 0.000 0.431 124 Y N 4.287 124.618 120.300 0.052 0.000 2.588 124 Y HA 0.803 5.353 4.550 -0.000 0.000 0.343 124 Y C -1.774 174.193 175.900 0.112 0.000 1.065 124 Y CA -1.537 56.625 58.100 0.104 0.000 1.038 124 Y CB 1.420 39.999 38.460 0.198 0.000 1.297 124 Y HN 0.398 nan 8.280 nan 0.000 0.467 125 L N 3.589 124.953 121.223 0.236 0.000 2.305 125 L HA 0.653 4.993 4.340 -0.000 0.000 0.284 125 L C -1.319 175.693 176.870 0.235 0.000 1.013 125 L CA -0.789 54.143 54.840 0.154 0.000 0.819 125 L CB 1.023 43.145 42.059 0.105 0.000 1.227 125 L HN 0.705 nan 8.230 nan 0.000 0.417 126 I N 4.241 124.947 120.570 0.228 0.000 2.404 126 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 126 I C -0.398 175.860 176.117 0.236 0.000 0.992 126 I CA -0.943 60.523 61.300 0.277 0.000 1.149 126 I CB 1.736 39.962 38.000 0.378 0.000 1.315 126 I HN 0.650 nan 8.210 nan 0.000 0.446 127 D N 5.542 126.044 120.400 0.169 0.000 2.414 127 D HA 0.073 4.713 4.640 -0.000 0.000 0.251 127 D C 0.963 177.400 176.300 0.228 0.000 1.252 127 D CA -0.326 53.765 54.000 0.152 0.000 0.999 127 D CB 0.792 41.645 40.800 0.088 0.000 1.093 127 D HN 0.370 nan 8.370 nan 0.000 0.515 128 R N -0.638 119.976 120.500 0.189 0.000 2.148 128 R HA -0.110 4.230 4.340 -0.000 0.000 0.227 128 R C 1.768 178.223 176.300 0.258 0.000 1.103 128 R CA 1.312 57.555 56.100 0.239 0.000 0.983 128 R CB -0.314 30.064 30.300 0.131 0.000 0.874 128 R HN 0.642 nan 8.270 nan 0.000 0.451 129 S N -1.540 114.228 115.700 0.113 0.000 2.562 129 S HA 0.070 4.540 4.470 -0.000 0.000 0.221 129 S C 1.229 175.750 174.600 -0.131 0.000 0.975 129 S CA 0.719 58.936 58.200 0.028 0.000 0.918 129 S CB 0.505 63.706 63.200 0.002 0.000 0.772 129 S HN 0.501 nan 8.310 nan 0.000 0.531 130 G N -0.003 108.616 108.800 -0.302 0.000 2.175 130 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 130 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 130 G C -0.020 174.642 174.900 -0.398 0.000 0.982 130 G CA -0.049 44.556 45.100 -0.824 0.000 0.641 130 G HN 0.676 nan 8.290 nan 0.000 0.527 131 V N 1.423 121.230 119.914 -0.179 0.000 2.498 131 V HA 0.681 4.801 4.120 -0.000 0.000 0.279 131 V C 1.002 177.124 176.094 0.047 0.000 1.048 131 V CA -0.125 62.116 62.300 -0.097 0.000 0.967 131 V CB 1.468 33.253 31.823 -0.064 0.000 0.988 131 V HN 1.103 nan 8.190 nan 0.000 0.473 132 A N 4.363 127.263 122.820 0.133 0.000 2.404 132 A HA 0.471 4.791 4.320 -0.000 0.000 0.273 132 A C 0.852 178.551 177.584 0.192 0.000 1.144 132 A CA 0.159 52.373 52.037 0.295 0.000 0.806 132 A CB 0.641 19.963 19.000 0.537 0.000 1.080 132 A HN 1.304 nan 8.150 nan 0.000 0.509 133 V N -0.127 119.890 119.914 0.171 0.000 3.263 133 V HA 0.610 4.730 4.120 -0.000 0.000 0.248 133 V C 0.734 176.885 176.094 0.095 0.000 1.145 133 V CA 0.844 63.207 62.300 0.105 0.000 1.107 133 V CB -0.811 31.056 31.823 0.073 0.000 0.797 133 V HN 1.393 nan 8.190 nan 0.000 0.467 134 A N -0.228 122.671 122.820 0.132 0.000 2.486 134 A HA 0.983 5.303 4.320 -0.000 0.000 0.300 134 A C -0.583 177.111 177.584 0.183 0.000 1.048 134 A CA 0.015 52.112 52.037 0.098 0.000 0.696 134 A CB 1.770 20.793 19.000 0.037 0.000 1.278 134 A HN 1.593 nan 8.150 nan 0.000 0.405 135 A N 0.279 123.201 122.820 0.171 0.000 2.594 135 A HA 0.688 5.008 4.320 -0.000 0.000 0.295 135 A C 0.822 178.528 177.584 0.204 0.000 1.071 135 A CA 0.270 52.428 52.037 0.200 0.000 0.685 135 A CB 0.707 19.791 19.000 0.141 0.000 1.285 135 A HN 2.040 nan 8.150 nan 0.000 0.405 136 S N 0.822 116.604 115.700 0.137 0.000 2.423 136 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 136 S C 0.912 175.576 174.600 0.107 0.000 1.014 136 S CA 1.541 59.825 58.200 0.141 0.000 0.965 136 S CB -0.454 62.779 63.200 0.055 0.000 0.785 136 S HN 1.036 nan 8.310 nan 0.000 0.495 137 N N 1.774 120.442 118.700 -0.053 0.000 2.346 137 N HA -0.005 4.735 4.740 -0.000 0.000 0.225 137 N C 1.186 176.623 175.510 -0.122 0.000 1.144 137 N CA -0.045 52.898 53.050 -0.179 0.000 0.837 137 N CB -1.045 37.222 38.487 -0.368 0.000 1.069 137 N HN 0.843 nan 8.380 nan 0.000 0.487 138 W N 0.497 121.741 121.300 -0.093 0.000 2.387 138 W HA -0.102 4.558 4.660 0.001 0.000 0.272 138 W C 0.323 176.820 176.519 -0.036 0.000 1.224 138 W CA 0.446 57.763 57.345 -0.047 0.000 1.210 138 W CB -0.674 28.776 29.460 -0.018 0.000 1.125 138 W HN 0.228 nan 8.180 nan 0.000 0.572 139 Q N 0.526 119.798 119.800 -0.879 0.000 2.424 139 Q HA 0.002 4.342 4.340 -0.000 0.000 0.204 139 Q C 0.457 176.233 176.000 -0.373 0.000 0.933 139 Q CA 0.402 55.724 55.803 -0.803 0.000 0.929 139 Q CB 0.169 28.302 28.738 -1.009 0.000 1.037 139 Q HN 0.100 nan 8.270 nan 0.000 0.511 140 E N 0.835 120.872 120.200 -0.272 0.000 2.349 140 E HA 0.051 4.401 4.350 -0.000 0.000 0.265 140 E C -1.758 174.786 176.600 -0.093 0.000 1.064 140 E CA -2.088 54.211 56.400 -0.167 0.000 0.886 140 E CB 0.453 30.057 29.700 -0.161 0.000 1.036 140 E HN -0.083 nan 8.360 nan 0.000 0.413 141 P HA -0.109 nan 4.420 nan 0.000 0.219 141 P C 0.779 178.090 177.300 0.019 0.000 1.146 141 P CA 1.399 64.489 63.100 -0.017 0.000 0.808 141 P CB 0.126 31.818 31.700 -0.014 0.000 0.779 142 T N -4.539 110.024 114.554 0.016 0.000 3.278 142 T HA 0.161 4.511 4.350 -0.000 0.000 0.251 142 T C 0.656 175.410 174.700 0.091 0.000 1.039 142 T CA -0.424 61.727 62.100 0.086 0.000 0.935 142 T CB -0.929 68.002 68.868 0.106 0.000 1.034 142 T HN -0.061 nan 8.240 nan 0.000 0.575 143 S N 0.991 116.709 115.700 0.030 0.000 2.593 143 S HA 0.060 4.530 4.470 -0.000 0.000 0.300 143 S C 0.529 175.273 174.600 0.239 0.000 1.267 143 S CA -0.532 57.682 58.200 0.024 0.000 1.065 143 S CB -0.347 62.894 63.200 0.069 0.000 0.807 143 S HN 0.365 nan 8.310 nan 0.000 0.499 144 F N 3.987 123.943 119.950 0.010 0.000 2.811 144 F HA 0.188 4.715 4.527 -0.000 0.000 0.301 144 F C 0.948 176.832 175.800 0.139 0.000 1.151 144 F CA -0.642 57.376 58.000 0.030 0.000 1.412 144 F CB -1.189 37.621 39.000 -0.316 0.000 1.113 144 F HN 0.229 nan 8.300 nan 0.000 0.579 145 V N 0.533 120.613 119.914 0.276 0.000 2.572 145 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 145 V C 1.242 177.421 176.094 0.141 0.000 1.039 145 V CA 0.801 63.227 62.300 0.209 0.000 1.055 145 V CB 0.389 32.319 31.823 0.179 0.000 0.969 145 V HN 0.605 nan 8.190 nan 0.000 0.482 146 G N 4.121 112.976 108.800 0.092 0.000 2.194 146 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.236 146 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.236 146 G C 0.029 174.895 174.900 -0.057 0.000 0.987 146 G CA 0.132 45.246 45.100 0.023 0.000 0.635 146 G HN 0.687 nan 8.290 nan 0.000 0.520 147 N N 0.598 119.226 118.700 -0.119 0.000 2.492 147 N HA 0.512 5.252 4.740 -0.000 0.000 0.289 147 N C -0.961 174.138 175.510 -0.686 0.000 1.133 147 N CA -0.358 52.462 53.050 -0.382 0.000 0.961 147 N CB 1.252 39.486 38.487 -0.422 0.000 1.186 147 N HN 0.224 nan 8.380 nan 0.000 0.493 148 D N 0.480 120.498 120.400 -0.637 0.000 2.274 148 D HA 0.153 4.793 4.640 -0.000 0.000 0.239 148 D C -0.769 175.186 176.300 -0.575 0.000 1.104 148 D CA -0.205 53.495 54.000 -0.501 0.000 0.840 148 D CB 0.408 41.064 40.800 -0.239 0.000 1.100 148 D HN 0.448 nan 8.370 nan 0.000 0.477 149 Y N 2.180 122.358 120.300 -0.203 0.000 2.507 149 Y HA 0.383 4.933 4.550 -0.000 0.000 0.254 149 Y C 1.571 177.078 175.900 -0.656 0.000 1.171 149 Y CA -0.116 57.761 58.100 -0.371 0.000 1.238 149 Y CB 0.412 38.744 38.460 -0.214 0.000 1.148 149 Y HN 0.545 nan 8.280 nan 0.000 0.525 150 A N -0.675 121.948 122.820 -0.329 0.000 2.197 150 A HA 0.073 4.393 4.320 -0.000 0.000 0.210 150 A C 1.606 179.131 177.584 -0.097 0.000 1.180 150 A CA 0.112 51.872 52.037 -0.461 0.000 0.846 150 A CB -0.950 17.843 19.000 -0.345 0.000 0.884 150 A HN 0.452 nan 8.150 nan 0.000 0.487 151 F N -0.162 119.727 119.950 -0.103 0.000 2.558 151 F HA 0.290 4.817 4.527 -0.000 0.000 0.298 151 F C 0.805 176.543 175.800 -0.104 0.000 1.119 151 F CA -0.298 57.655 58.000 -0.078 0.000 1.451 151 F CB -0.113 38.833 39.000 -0.089 0.000 1.091 151 F HN -0.162 nan 8.300 nan 0.000 0.563 152 R N 2.340 122.223 120.500 -1.028 0.000 2.491 152 R HA 0.002 4.342 4.340 -0.000 0.000 0.283 152 R C 0.626 176.682 176.300 -0.407 0.000 1.072 152 R CA 0.080 55.636 56.100 -0.906 0.000 1.048 152 R CB 0.441 29.796 30.300 -1.574 0.000 0.983 152 R HN 0.207 nan 8.270 nan 0.000 0.450 153 D N 1.896 122.195 120.400 -0.168 0.000 2.144 153 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 153 D C 1.725 178.096 176.300 0.118 0.000 0.984 153 D CA 1.514 55.490 54.000 -0.040 0.000 0.834 153 D CB -0.178 40.533 40.800 -0.149 0.000 0.955 153 D HN 0.664 nan 8.370 nan 0.000 0.465 154 Y N -0.428 120.040 120.300 0.280 0.000 2.298 154 Y HA -0.178 4.372 4.550 -0.000 0.000 0.287 154 Y C 1.978 177.906 175.900 0.045 0.000 1.164 154 Y CA 0.713 58.863 58.100 0.084 0.000 1.229 154 Y CB -1.146 37.233 38.460 -0.134 0.000 0.977 154 Y HN 0.037 nan 8.280 nan 0.000 0.538 155 F N 2.558 122.415 119.950 -0.155 0.000 2.188 155 F HA 0.050 4.577 4.527 -0.000 0.000 0.289 155 F C 2.552 178.333 175.800 -0.031 0.000 1.082 155 F CA 1.491 59.462 58.000 -0.050 0.000 1.282 155 F CB -0.314 38.603 39.000 -0.139 0.000 1.060 155 F HN 0.017 nan 8.300 nan 0.000 0.493 156 R N 0.347 120.824 120.500 -0.040 0.000 2.153 156 R HA 0.046 4.386 4.340 -0.000 0.000 0.218 156 R C 1.762 177.989 176.300 -0.122 0.000 1.072 156 R CA 1.624 57.661 56.100 -0.104 0.000 0.990 156 R CB -0.917 29.423 30.300 0.067 0.000 0.889 156 R HN 0.389 nan 8.270 nan 0.000 0.452 157 L N 0.667 121.852 121.223 -0.064 0.000 2.131 157 L HA 0.109 4.449 4.340 -0.000 0.000 0.206 157 L C 2.766 179.599 176.870 -0.062 0.000 1.087 157 L CA 0.959 55.777 54.840 -0.036 0.000 0.767 157 L CB -0.481 41.590 42.059 0.020 0.000 0.917 157 L HN 0.378 nan 8.230 nan 0.000 0.441 158 A N -0.114 122.657 122.820 -0.081 0.000 1.883 158 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 158 A C 2.347 179.824 177.584 -0.180 0.000 1.186 158 A CA 1.840 53.813 52.037 -0.106 0.000 0.624 158 A CB -0.915 18.032 19.000 -0.088 0.000 0.822 158 A HN 0.161 nan 8.150 nan 0.000 0.444 159 V N -0.116 119.602 119.914 -0.327 0.000 2.324 159 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 159 V C 2.717 178.711 176.094 -0.166 0.000 1.060 159 V CA 2.495 64.601 62.300 -0.324 0.000 1.042 159 V CB -0.693 30.830 31.823 -0.500 0.000 0.650 159 V HN 0.638 nan 8.190 nan 0.000 0.450 160 R N -0.835 119.588 120.500 -0.128 0.000 2.112 160 R HA -0.062 4.278 4.340 -0.000 0.000 0.216 160 R C 1.501 177.770 176.300 -0.052 0.000 1.080 160 R CA 1.380 57.437 56.100 -0.072 0.000 0.996 160 R CB 0.069 30.338 30.300 -0.051 0.000 0.902 160 R HN 0.499 nan 8.270 nan 0.000 0.449 161 D N -1.140 119.229 120.400 -0.051 0.000 2.454 161 D HA 0.210 4.850 4.640 -0.000 0.000 0.214 161 D C 0.602 176.883 176.300 -0.033 0.000 1.088 161 D CA 0.947 54.928 54.000 -0.032 0.000 0.855 161 D CB 1.265 42.054 40.800 -0.018 0.000 1.025 161 D HN 0.394 nan 8.370 nan 0.000 0.502 165 E N 0.029 120.335 120.200 0.177 0.000 2.397 165 E HA 0.546 4.895 4.350 -0.000 0.000 0.293 165 E C -1.588 175.214 176.600 0.336 0.000 0.930 165 E CA -0.358 56.153 56.400 0.185 0.000 0.793 165 E CB 1.353 31.127 29.700 0.124 0.000 1.259 165 E HN 1.339 nan 8.360 nan 0.000 0.406 166 H N 1.485 120.741 119.070 0.309 0.000 3.003 166 H HA 0.443 4.999 4.556 -0.000 0.000 0.327 166 H C -1.935 173.705 175.328 0.521 0.000 1.353 166 H CA -0.874 55.410 56.048 0.395 0.000 1.142 166 H CB 0.503 30.439 29.762 0.290 0.000 1.864 166 H HN 0.297 nan 8.280 nan 0.000 0.529 167 F N 1.162 121.484 119.950 0.620 0.000 2.399 167 F HA 0.716 5.243 4.527 0.000 0.000 0.342 167 F C 0.196 176.338 175.800 0.570 0.000 1.106 167 F CA 0.978 59.329 58.000 0.586 0.000 1.196 167 F CB 0.775 40.102 39.000 0.545 0.000 1.163 167 F HN 0.980 nan 8.300 nan 0.000 0.547 171 T N -1.333 113.250 114.554 0.048 0.000 3.014 171 T HA 0.033 4.383 4.350 -0.000 0.000 0.263 171 T C 1.995 176.734 174.700 0.064 0.000 1.078 171 T CA 1.853 64.003 62.100 0.083 0.000 1.135 171 T CB 0.105 69.064 68.868 0.151 0.000 0.895 171 T HN 0.345 nan 8.240 nan 0.000 0.480 172 V N 2.277 122.207 119.914 0.027 0.000 2.436 172 V HA -0.010 4.110 4.120 -0.000 0.000 0.240 172 V C 3.098 179.270 176.094 0.130 0.000 1.040 172 V CA 1.402 63.751 62.300 0.081 0.000 1.052 172 V CB -0.498 31.390 31.823 0.108 0.000 0.707 172 V HN 0.670 nan 8.190 nan 0.000 0.469 173 S N 0.223 116.021 115.700 0.163 0.000 2.402 173 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 173 S C 1.142 175.822 174.600 0.135 0.000 1.021 173 S CA 1.033 59.353 58.200 0.200 0.000 0.974 173 S CB -0.509 62.861 63.200 0.284 0.000 0.800 173 S HN 0.638 nan 8.310 nan 0.000 0.484 174 K N 0.283 120.757 120.400 0.124 0.000 3.069 174 K HA -0.183 4.137 4.320 -0.000 0.000 0.267 174 K C -0.489 176.198 176.600 0.146 0.000 1.082 174 K CA 0.757 57.122 56.287 0.130 0.000 0.782 174 K CB -1.594 30.969 32.500 0.105 0.000 1.230 174 K HN 0.538 nan 8.250 nan 0.000 0.488 175 R N 0.471 121.063 120.500 0.155 0.000 2.534 175 R HA 0.323 4.663 4.340 -0.000 0.000 0.301 175 R C -2.521 173.882 176.300 0.172 0.000 0.961 175 R CA -2.068 54.120 56.100 0.145 0.000 0.871 175 R CB 1.803 32.167 30.300 0.106 0.000 1.170 175 R HN -0.080 nan 8.270 nan 0.000 0.446 176 P HA 0.320 nan 4.420 nan 0.000 0.278 176 P C -0.514 176.778 177.300 -0.013 0.000 1.238 176 P CA -0.215 63.037 63.100 0.254 0.000 0.794 176 P CB 1.691 33.689 31.700 0.497 0.000 0.955 177 G N 0.940 109.468 108.800 -0.454 0.000 2.506 177 G HA2 0.430 4.389 3.960 -0.000 0.000 0.292 177 G HA3 0.430 4.389 3.960 -0.000 0.000 0.292 177 G C -2.219 172.134 174.900 -0.911 0.000 1.425 177 G CA -0.643 44.109 45.100 -0.581 0.000 0.788 177 G HN 0.552 nan 8.290 nan 0.000 0.490 178 L N 0.358 121.409 121.223 -0.288 0.000 2.289 178 L HA 0.733 5.072 4.340 -0.000 0.000 0.285 178 L C -1.237 175.460 176.870 -0.288 0.000 1.049 178 L CA -0.840 54.015 54.840 0.025 0.000 0.804 178 L CB 0.643 43.051 42.059 0.582 0.000 1.195 178 L HN 0.484 nan 8.230 nan 0.000 0.428 179 Y N 5.832 126.031 120.300 -0.168 0.000 2.331 179 Y HA 0.553 5.103 4.550 -0.000 0.000 0.338 179 Y C -0.177 175.581 175.900 -0.236 0.000 0.976 179 Y CA -0.601 57.288 58.100 -0.353 0.000 1.137 179 Y CB 1.001 39.001 38.460 -0.766 0.000 1.172 179 Y HN 0.378 nan 8.280 nan 0.000 0.478 180 I N 3.888 124.403 120.570 -0.091 0.000 2.362 180 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 180 I C -0.400 175.656 176.117 -0.102 0.000 0.994 180 I CA -0.478 60.791 61.300 -0.052 0.000 1.158 180 I CB 1.396 39.375 38.000 -0.036 0.000 1.315 180 I HN 0.575 nan 8.210 nan 0.000 0.451 181 S N 6.396 122.062 115.700 -0.057 0.000 2.599 181 S HA 0.746 5.216 4.470 -0.000 0.000 0.287 181 S C -0.713 173.868 174.600 -0.031 0.000 1.105 181 S CA -1.024 57.138 58.200 -0.064 0.000 0.899 181 S CB 2.818 66.009 63.200 -0.014 0.000 1.100 181 S HN 0.503 nan 8.310 nan 0.000 0.482 182 R N 0.759 121.234 120.500 -0.041 0.000 2.604 182 R HA 0.411 4.751 4.340 -0.000 0.000 0.281 182 R C -0.873 175.404 176.300 -0.039 0.000 1.020 182 R CA -0.641 55.438 56.100 -0.035 0.000 0.899 182 R CB 2.203 32.482 30.300 -0.034 0.000 1.205 182 R HN 0.892 nan 8.270 nan 0.000 0.450 183 R N 1.748 122.220 120.500 -0.047 0.000 2.442 183 R HA 0.211 4.551 4.340 -0.000 0.000 0.291 183 R C -0.546 175.735 176.300 -0.032 0.000 1.069 183 R CA -0.181 55.885 56.100 -0.056 0.000 1.022 183 R CB 0.659 30.916 30.300 -0.071 0.000 0.976 183 R HN 0.255 nan 8.270 nan 0.000 0.443 184 V N 5.294 125.197 119.914 -0.020 0.000 2.406 184 V HA 0.143 4.263 4.120 -0.000 0.000 0.272 184 V C -0.138 175.952 176.094 -0.008 0.000 1.043 184 V CA -0.295 62.001 62.300 -0.007 0.000 0.915 184 V CB 1.245 33.073 31.823 0.008 0.000 0.988 184 V HN 0.786 nan 8.190 nan 0.000 0.466 185 D N 3.552 123.946 120.400 -0.009 0.000 2.192 185 D HA 0.558 5.198 4.640 -0.000 0.000 0.246 185 D C 0.312 176.611 176.300 -0.003 0.000 1.042 185 D CA 0.080 54.075 54.000 -0.008 0.000 0.847 185 D CB 2.558 43.351 40.800 -0.011 0.000 1.186 185 D HN 0.657 nan 8.370 nan 0.000 0.461 186 G N 1.070 109.870 108.800 -0.000 0.000 2.521 186 G HA2 0.385 4.345 3.960 -0.000 0.000 0.323 186 G HA3 0.385 4.345 3.960 -0.000 0.000 0.323 186 G C -1.614 173.286 174.900 -0.000 0.000 1.211 186 G CA -1.077 44.024 45.100 0.001 0.000 0.979 186 G HN 0.183 nan 8.290 nan 0.000 0.490 187 P HA -0.075 nan 4.420 nan 0.000 0.216 187 P C 1.530 178.830 177.300 -0.000 0.000 1.154 187 P CA 1.769 64.869 63.100 -0.000 0.000 0.865 187 P CB 0.207 31.907 31.700 0.000 0.000 0.789 188 G N -2.317 106.484 108.800 0.001 0.000 3.523 188 G HA2 0.495 4.455 3.960 -0.000 0.000 0.270 188 G HA3 0.495 4.455 3.960 -0.000 0.000 0.270 188 G C 0.479 175.380 174.900 0.002 0.000 1.134 188 G CA 0.290 45.391 45.100 0.002 0.000 0.825 188 G HN 0.606 nan 8.290 nan 0.000 0.534 189 G N -0.047 108.753 108.800 0.000 0.000 2.318 189 G HA2 0.069 4.029 3.960 -0.000 0.000 0.367 189 G HA3 0.069 4.029 3.960 -0.000 0.000 0.367 189 G C -3.230 171.669 174.900 -0.002 0.000 1.260 189 G CA -0.888 44.211 45.100 -0.002 0.000 1.055 189 G HN 0.110 nan 8.290 nan 0.000 0.484 190 P HA 0.468 nan 4.420 nan 0.000 0.271 190 P C 0.677 177.982 177.300 0.009 0.000 1.226 190 P CA -0.084 63.011 63.100 -0.009 0.000 0.765 190 P CB 0.637 32.322 31.700 -0.027 0.000 0.835 191 L N 1.711 122.943 121.223 0.015 0.000 2.609 191 L HA 0.426 4.766 4.340 -0.000 0.000 0.230 191 L C 1.180 178.090 176.870 0.067 0.000 1.087 191 L CA 0.484 55.345 54.840 0.036 0.000 0.874 191 L CB 0.094 42.170 42.059 0.028 0.000 1.114 191 L HN 0.653 nan 8.230 nan 0.000 0.488 192 G N -0.741 108.098 108.800 0.066 0.000 2.345 192 G HA2 0.292 4.252 3.960 -0.000 0.000 0.285 192 G HA3 0.292 4.252 3.960 -0.000 0.000 0.285 192 G C -1.923 173.020 174.900 0.072 0.000 1.297 192 G CA -0.519 44.657 45.100 0.128 0.000 0.875 192 G HN -0.310 nan 8.290 nan 0.000 0.506 193 V N 0.195 120.184 119.914 0.125 0.000 2.777 193 V HA 0.623 4.743 4.120 -0.000 0.000 0.306 193 V C -0.971 175.155 176.094 0.053 0.000 1.112 193 V CA -0.503 61.842 62.300 0.075 0.000 0.917 193 V CB 1.729 33.632 31.823 0.134 0.000 1.018 193 V HN 0.955 nan 8.190 nan 0.000 0.426 194 I N 5.154 125.712 120.570 -0.019 0.000 2.377 194 I HA 0.730 4.900 4.170 -0.000 0.000 0.293 194 I C -0.712 175.300 176.117 -0.175 0.000 0.987 194 I CA -0.076 61.176 61.300 -0.080 0.000 1.185 194 I CB 1.627 39.595 38.000 -0.052 0.000 1.341 194 I HN 0.399 nan 8.210 nan 0.000 0.455 195 V N 7.207 126.904 119.914 -0.361 0.000 2.588 195 V HA 0.812 4.932 4.120 -0.000 0.000 0.304 195 V C -0.121 175.729 176.094 -0.408 0.000 1.042 195 V CA -0.685 61.309 62.300 -0.510 0.000 0.877 195 V CB 1.379 32.597 31.823 -1.007 0.000 0.996 195 V HN 0.854 nan 8.190 nan 0.000 0.425 196 A N 3.935 126.603 122.820 -0.253 0.000 2.304 196 A HA 0.724 5.044 4.320 -0.000 0.000 0.323 196 A C -0.334 177.136 177.584 -0.189 0.000 1.195 196 A CA -0.658 51.281 52.037 -0.162 0.000 0.826 196 A CB 0.942 19.872 19.000 -0.116 0.000 1.184 196 A HN 0.778 nan 8.150 nan 0.000 0.496 197 K N 2.817 123.128 120.400 -0.149 0.000 2.263 197 K HA 0.502 4.822 4.320 -0.000 0.000 0.272 197 K C -1.571 174.850 176.600 -0.299 0.000 1.033 197 K CA -0.551 55.539 56.287 -0.328 0.000 0.884 197 K CB 0.796 33.144 32.500 -0.254 0.000 1.107 197 K HN 0.586 nan 8.250 nan 0.000 0.460 198 L N 4.246 125.253 121.223 -0.359 0.000 2.287 198 L HA 0.366 4.706 4.340 -0.000 0.000 0.287 198 L C -0.925 175.615 176.870 -0.549 0.000 1.022 198 L CA 0.118 54.706 54.840 -0.420 0.000 0.814 198 L CB 1.342 43.156 42.059 -0.408 0.000 1.217 198 L HN 0.645 nan 8.230 nan 0.000 0.420 199 E N 4.135 124.033 120.200 -0.503 0.000 2.212 199 E HA 0.307 4.657 4.350 -0.000 0.000 0.270 199 E C -0.834 175.481 176.600 -0.475 0.000 0.956 199 E CA -0.298 55.899 56.400 -0.340 0.000 0.825 199 E CB 1.499 31.105 29.700 -0.157 0.000 1.167 199 E HN 0.573 nan 8.360 nan 0.000 0.400 200 F N 0.769 120.709 119.950 -0.016 0.000 2.735 200 F HA 0.157 4.684 4.527 -0.000 0.000 0.304 200 F C 0.759 176.477 175.800 -0.136 0.000 1.119 200 F CA -0.225 57.734 58.000 -0.068 0.000 1.280 200 F CB 0.408 39.379 39.000 -0.048 0.000 0.994 200 F HN 0.386 nan 8.300 nan 0.000 0.520 201 D N 0.690 121.096 120.400 0.009 0.000 2.116 201 D HA -0.187 4.452 4.640 -0.000 0.000 0.193 201 D C 2.524 178.781 176.300 -0.072 0.000 0.998 201 D CA 1.862 55.841 54.000 -0.034 0.000 0.836 201 D CB -0.418 40.362 40.800 -0.034 0.000 0.951 201 D HN 0.355 nan 8.370 nan 0.000 0.449 202 G N 0.313 109.068 108.800 -0.075 0.000 2.421 202 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 202 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 202 G C 1.806 176.632 174.900 -0.123 0.000 1.171 202 G CA 0.937 45.990 45.100 -0.078 0.000 0.775 202 G HN 0.232 nan 8.290 nan 0.000 0.543 203 V N 0.980 120.789 119.914 -0.174 0.000 2.255 203 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 203 V C 2.704 178.362 176.094 -0.727 0.000 1.051 203 V CA 2.442 64.502 62.300 -0.399 0.000 1.018 203 V CB -0.706 30.905 31.823 -0.352 0.000 0.641 203 V HN 0.495 nan 8.190 nan 0.000 0.445 204 E N 0.251 120.118 120.200 -0.556 0.000 2.085 204 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 204 E C 2.296 178.814 176.600 -0.135 0.000 0.994 204 E CA 1.395 57.566 56.400 -0.382 0.000 0.801 204 E CB -0.374 29.215 29.700 -0.185 0.000 0.743 204 E HN 0.624 nan 8.360 nan 0.000 0.453 205 A N 1.598 124.354 122.820 -0.107 0.000 1.898 205 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 205 A C 1.683 179.276 177.584 0.014 0.000 1.181 205 A CA 1.677 53.695 52.037 -0.031 0.000 0.620 205 A CB -0.318 18.662 19.000 -0.033 0.000 0.819 205 A HN 0.084 nan 8.150 nan 0.000 0.442 206 D N -0.858 119.540 120.400 -0.004 0.000 2.097 206 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 206 D C 1.708 178.153 176.300 0.241 0.000 0.989 206 D CA 1.088 55.140 54.000 0.087 0.000 0.827 206 D CB -0.379 40.468 40.800 0.078 0.000 0.966 206 D HN 0.649 nan 8.370 nan 0.000 0.456 207 W N 1.678 123.003 121.300 0.043 0.000 2.335 207 W HA -0.071 4.589 4.660 -0.000 0.000 0.311 207 W C 2.401 178.942 176.519 0.036 0.000 1.213 207 W CA 0.275 57.645 57.345 0.043 0.000 1.274 207 W CB -1.326 28.165 29.460 0.051 0.000 1.148 207 W HN 0.109 nan 8.180 nan 0.000 0.498 208 Q N -0.039 119.918 119.800 0.262 0.000 2.061 208 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 208 Q C 2.238 178.304 176.000 0.111 0.000 0.984 208 Q CA 2.258 58.146 55.803 0.142 0.000 0.846 208 Q CB -0.596 28.184 28.738 0.071 0.000 0.902 208 Q HN 0.212 nan 8.270 nan 0.000 0.421 209 A N 0.466 123.347 122.820 0.102 0.000 2.121 209 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 209 A C 2.141 179.776 177.584 0.085 0.000 1.154 209 A CA 1.522 53.606 52.037 0.078 0.000 0.679 209 A CB -0.396 18.642 19.000 0.062 0.000 0.795 209 A HN 0.523 nan 8.150 nan 0.000 0.458 210 S N -1.759 114.009 115.700 0.113 0.000 2.428 210 S HA 0.284 4.754 4.470 -0.000 0.000 0.230 210 S C 1.646 176.292 174.600 0.077 0.000 1.014 210 S CA 1.277 59.533 58.200 0.095 0.000 0.957 210 S CB -0.456 62.808 63.200 0.106 0.000 0.784 210 S HN 1.850 nan 8.310 nan 0.000 0.499 211 G N 0.926 109.779 108.800 0.088 0.000 2.176 211 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 211 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 211 G C -0.072 174.890 174.900 0.103 0.000 0.979 211 G CA 0.283 45.437 45.100 0.090 0.000 0.641 211 G HN 0.596 nan 8.290 nan 0.000 0.530 212 K N 1.426 121.875 120.400 0.083 0.000 2.527 212 K HA 0.413 4.733 4.320 -0.000 0.000 0.240 212 K C -2.784 173.845 176.600 0.049 0.000 0.989 212 K CA -1.957 54.369 56.287 0.064 0.000 0.985 212 K CB 2.304 34.811 32.500 0.013 0.000 1.221 212 K HN 0.054 nan 8.250 nan 0.000 0.458 213 P HA -0.018 nan 4.420 nan 0.000 0.267 213 P C -1.009 176.360 177.300 0.115 0.000 1.200 213 P CA 0.004 63.211 63.100 0.179 0.000 0.772 213 P CB 0.845 32.708 31.700 0.272 0.000 0.855 214 A N 2.429 125.357 122.820 0.179 0.000 2.572 214 A HA 0.795 5.114 4.320 -0.000 0.000 0.295 214 A C -1.724 176.006 177.584 0.243 0.000 1.072 214 A CA -0.504 51.466 52.037 -0.112 0.000 0.691 214 A CB 1.162 19.679 19.000 -0.804 0.000 1.291 214 A HN 0.583 nan 8.150 nan 0.000 0.404 215 Y N -1.707 118.604 120.300 0.018 0.000 2.597 215 Y HA 0.789 5.339 4.550 -0.000 0.000 0.340 215 Y C -1.271 174.618 175.900 -0.018 0.000 1.097 215 Y CA -1.551 56.625 58.100 0.127 0.000 1.037 215 Y CB 1.175 39.728 38.460 0.155 0.000 1.305 215 Y HN 0.481 nan 8.280 nan 0.000 0.463 216 V N 2.184 122.168 119.914 0.116 0.000 2.487 216 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 216 V C -0.371 175.617 176.094 -0.177 0.000 1.028 216 V CA -0.249 61.991 62.300 -0.099 0.000 0.860 216 V CB 1.786 33.479 31.823 -0.217 0.000 0.991 216 V HN 1.039 nan 8.190 nan 0.000 0.427 217 T N -0.051 114.437 114.554 -0.111 0.000 2.912 217 T HA 0.663 5.013 4.350 -0.000 0.000 0.288 217 T C -0.483 174.177 174.700 -0.067 0.000 1.030 217 T CA -0.847 61.193 62.100 -0.101 0.000 1.020 217 T CB 1.913 70.789 68.868 0.013 0.000 1.056 217 T HN 0.707 nan 8.240 nan 0.000 0.480 218 D N 0.942 121.323 120.400 -0.032 0.000 2.414 218 D HA 0.204 4.844 4.640 -0.000 0.000 0.259 218 D C 1.126 177.502 176.300 0.127 0.000 1.269 218 D CA -0.898 53.191 54.000 0.148 0.000 1.028 218 D CB 0.587 41.511 40.800 0.206 0.000 1.093 218 D HN 0.574 nan 8.370 nan 0.000 0.545 219 R N -1.177 119.414 120.500 0.151 0.000 2.280 219 R HA 0.072 4.412 4.340 -0.000 0.000 0.207 219 R C 1.849 178.197 176.300 0.080 0.000 1.043 219 R CA 0.513 56.677 56.100 0.106 0.000 1.006 219 R CB -0.087 30.277 30.300 0.106 0.000 0.885 219 R HN 0.362 nan 8.270 nan 0.000 0.467 220 R N -0.516 120.035 120.500 0.085 0.000 2.276 220 R HA 0.076 4.415 4.340 -0.000 0.000 0.196 220 R C 0.977 177.295 176.300 0.030 0.000 0.961 220 R CA 0.633 56.770 56.100 0.062 0.000 1.024 220 R CB 0.563 30.913 30.300 0.084 0.000 0.940 220 R HN 0.336 nan 8.270 nan 0.000 0.480 221 G N 1.136 109.950 108.800 0.024 0.000 2.131 221 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.223 221 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.223 221 G C 0.098 174.967 174.900 -0.051 0.000 0.990 221 G CA -0.413 44.685 45.100 -0.003 0.000 0.671 221 G HN 0.182 nan 8.290 nan 0.000 0.521 222 I N 1.266 121.790 120.570 -0.078 0.000 2.441 222 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 222 I C 1.060 177.060 176.117 -0.195 0.000 1.049 222 I CA -0.800 60.393 61.300 -0.178 0.000 1.381 222 I CB 1.434 39.245 38.000 -0.316 0.000 1.409 222 I HN -0.126 nan 8.210 nan 0.000 0.523 223 V N 7.811 127.605 119.914 -0.199 0.000 2.446 223 V HA 0.007 4.127 4.120 -0.000 0.000 0.276 223 V C 1.070 176.994 176.094 -0.283 0.000 1.030 223 V CA 0.313 62.494 62.300 -0.199 0.000 1.033 223 V CB 0.519 32.215 31.823 -0.212 0.000 0.993 223 V HN 0.659 nan 8.190 nan 0.000 0.477 224 L N 5.393 126.349 121.223 -0.446 0.000 2.269 224 L HA 0.388 4.728 4.340 -0.000 0.000 0.200 224 L C 0.400 176.861 176.870 -0.680 0.000 1.069 224 L CA 0.798 55.159 54.840 -0.797 0.000 0.804 224 L CB 0.131 41.279 42.059 -1.519 0.000 0.987 224 L HN 0.411 nan 8.230 nan 0.000 0.468 225 I N -0.601 119.666 120.570 -0.505 0.000 2.498 225 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 225 I C -0.543 175.593 176.117 0.032 0.000 1.032 225 I CA -0.205 60.928 61.300 -0.278 0.000 1.073 225 I CB 2.337 40.058 38.000 -0.465 0.000 1.251 225 I HN -0.160 nan 8.210 nan 0.000 0.426 226 T N 1.846 116.459 114.554 0.097 0.000 3.159 226 T HA 0.160 4.510 4.350 -0.000 0.000 0.343 226 T C 0.632 175.456 174.700 0.207 0.000 1.364 226 T CA -0.184 62.091 62.100 0.291 0.000 1.102 226 T CB 1.337 70.348 68.868 0.238 0.000 1.263 226 T HN 0.701 nan 8.240 nan 0.000 0.477 227 S N 3.713 119.631 115.700 0.363 0.000 2.481 227 S HA 0.133 4.603 4.470 -0.000 0.000 0.231 227 S C 0.597 175.170 174.600 -0.045 0.000 0.996 227 S CA 0.141 58.462 58.200 0.202 0.000 0.942 227 S CB -0.223 63.191 63.200 0.357 0.000 0.768 227 S HN 0.543 nan 8.310 nan 0.000 0.520 228 L N 2.527 123.611 121.223 -0.232 0.000 2.294 228 L HA 0.552 4.892 4.340 -0.000 0.000 0.283 228 L C -2.278 174.340 176.870 -0.419 0.000 1.015 228 L CA -2.396 52.108 54.840 -0.559 0.000 0.831 228 L CB 1.575 42.791 42.059 -1.405 0.000 1.217 228 L HN -0.164 nan 8.230 nan 0.000 0.420 229 P HA -0.145 nan 4.420 nan 0.000 0.218 229 P C 1.317 178.498 177.300 -0.199 0.000 1.148 229 P CA 1.526 64.513 63.100 -0.189 0.000 0.822 229 P CB 0.160 31.779 31.700 -0.134 0.000 0.784 230 S N -2.776 112.771 115.700 -0.255 0.000 2.555 230 S HA -0.091 4.379 4.470 -0.000 0.000 0.230 230 S C 1.404 175.954 174.600 -0.082 0.000 0.978 230 S CA 0.212 58.308 58.200 -0.173 0.000 0.934 230 S CB -1.171 61.926 63.200 -0.172 0.000 0.766 230 S HN 0.143 nan 8.310 nan 0.000 0.533 231 W N 2.125 123.316 121.300 -0.182 0.000 2.905 231 W HA 0.379 5.039 4.660 -0.000 0.000 0.251 231 W C 1.224 177.555 176.519 -0.313 0.000 1.305 231 W CA -1.107 56.071 57.345 -0.278 0.000 1.465 231 W CB -0.761 28.501 29.460 -0.330 0.000 1.122 231 W HN 0.275 nan 8.180 nan 0.000 0.659 232 R N 1.067 121.483 120.500 -0.141 0.000 2.538 232 R HA 0.095 4.435 4.340 -0.000 0.000 0.282 232 R C 0.015 176.062 176.300 -0.422 0.000 1.009 232 R CA 0.191 56.027 56.100 -0.441 0.000 1.063 232 R CB -0.106 29.782 30.300 -0.688 0.000 0.945 232 R HN -0.207 nan 8.270 nan 0.000 0.414 236 T N 0.015 114.494 114.554 -0.126 0.000 2.894 236 T HA 0.254 4.604 4.350 -0.000 0.000 0.258 236 T C 0.626 175.298 174.700 -0.047 0.000 1.043 236 T CA 0.368 62.423 62.100 -0.075 0.000 1.141 236 T CB -0.267 68.611 68.868 0.016 0.000 0.873 236 T HN 0.772 nan 8.240 nan 0.000 0.449 237 K N 2.163 122.541 120.400 -0.036 0.000 2.098 237 K HA 0.505 4.825 4.320 -0.000 0.000 0.261 237 K C -2.745 173.838 176.600 -0.029 0.000 0.987 237 K CA -2.316 53.958 56.287 -0.021 0.000 0.916 237 K CB 0.604 33.101 32.500 -0.005 0.000 1.039 237 K HN 0.087 nan 8.250 nan 0.000 0.455 238 P HA 0.088 nan 4.420 nan 0.000 0.270 238 P C -0.859 176.435 177.300 -0.010 0.000 1.227 238 P CA 0.002 63.092 63.100 -0.017 0.000 0.788 238 P CB 0.459 32.153 31.700 -0.010 0.000 0.926 239 I N 0.318 120.883 120.570 -0.007 0.000 2.563 239 I HA 0.385 4.555 4.170 -0.000 0.000 0.285 239 I C -0.556 175.564 176.117 0.005 0.000 1.123 239 I CA -0.700 60.601 61.300 0.002 0.000 1.059 239 I CB 1.229 39.230 38.000 0.001 0.000 1.229 239 I HN 0.327 nan 8.210 nan 0.000 0.442 240 A N 6.120 128.945 122.820 0.009 0.000 2.498 240 A HA 0.163 4.483 4.320 -0.000 0.000 0.239 240 A C 1.424 179.014 177.584 0.010 0.000 1.068 240 A CA 0.107 52.149 52.037 0.008 0.000 0.766 240 A CB 0.237 19.242 19.000 0.009 0.000 1.003 240 A HN 0.887 nan 8.150 nan 0.000 0.497 241 E N 2.021 122.225 120.200 0.007 0.000 2.171 241 E HA -0.301 4.049 4.350 -0.000 0.000 0.197 241 E C 0.730 177.336 176.600 0.009 0.000 0.997 241 E CA 1.607 58.012 56.400 0.008 0.000 0.810 241 E CB -0.306 29.396 29.700 0.005 0.000 0.738 241 E HN 0.831 nan 8.360 nan 0.000 0.467 242 D N 0.886 121.292 120.400 0.009 0.000 2.317 242 D HA -0.139 4.501 4.640 -0.000 0.000 0.211 242 D C 1.697 178.005 176.300 0.014 0.000 0.966 242 D CA 0.482 54.488 54.000 0.010 0.000 0.876 242 D CB -0.118 40.687 40.800 0.008 0.000 0.927 242 D HN 0.124 nan 8.370 nan 0.000 0.519 243 R N -0.296 120.214 120.500 0.017 0.000 2.223 243 R HA 0.159 4.499 4.340 -0.000 0.000 0.198 243 R C 2.229 178.548 176.300 0.031 0.000 0.984 243 R CA -0.132 55.983 56.100 0.024 0.000 1.018 243 R CB -0.725 29.592 30.300 0.027 0.000 0.945 243 R HN 0.208 nan 8.270 nan 0.000 0.479 244 L N 1.401 122.640 121.223 0.027 0.000 2.027 244 L HA -0.036 4.304 4.340 -0.000 0.000 0.206 244 L C 2.337 179.226 176.870 0.032 0.000 1.074 244 L CA 1.857 56.717 54.840 0.033 0.000 0.745 244 L CB -0.696 41.378 42.059 0.024 0.000 0.898 244 L HN 0.158 nan 8.230 nan 0.000 0.433 245 A N 0.048 122.881 122.820 0.021 0.000 1.873 245 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 245 A C 0.066 177.657 177.584 0.012 0.000 1.193 245 A CA 2.260 54.305 52.037 0.014 0.000 0.629 245 A CB -2.158 16.846 19.000 0.007 0.000 0.826 245 A HN 0.414 nan 8.150 nan 0.000 0.447 246 P HA -0.126 nan 4.420 nan 0.000 0.216 246 P C 1.352 178.658 177.300 0.010 0.000 1.150 246 P CA 1.015 64.120 63.100 0.007 0.000 0.837 246 P CB -0.159 31.547 31.700 0.010 0.000 0.786 247 I N -0.999 119.591 120.570 0.034 0.000 2.179 247 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 247 I C 2.561 178.706 176.117 0.047 0.000 1.088 247 I CA 1.465 62.801 61.300 0.059 0.000 1.357 247 I CB -0.554 37.528 38.000 0.137 0.000 1.051 247 I HN -0.110 nan 8.210 nan 0.000 0.409 248 R N 0.890 121.420 120.500 0.050 0.000 2.066 248 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 248 R C 2.139 178.437 176.300 -0.004 0.000 1.131 248 R CA 1.397 57.519 56.100 0.037 0.000 0.955 248 R CB -0.291 30.030 30.300 0.034 0.000 0.851 248 R HN 0.447 nan 8.270 nan 0.000 0.432 249 E N 0.395 120.587 120.200 -0.013 0.000 2.268 249 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 249 E C 1.916 178.484 176.600 -0.053 0.000 0.995 249 E CA 1.256 57.635 56.400 -0.035 0.000 0.836 249 E CB 0.071 29.753 29.700 -0.029 0.000 0.763 249 E HN 0.303 nan 8.360 nan 0.000 0.491 250 S N 0.404 116.076 115.700 -0.046 0.000 2.447 250 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 250 S C 1.353 175.931 174.600 -0.036 0.000 1.006 250 S CA 0.476 58.650 58.200 -0.043 0.000 0.957 250 S CB 0.030 63.190 63.200 -0.067 0.000 0.773 250 S HN 0.292 nan 8.310 nan 0.000 0.507 251 L N -0.097 121.084 121.223 -0.070 0.000 4.496 251 L HA -0.259 4.081 4.340 -0.000 0.000 0.419 251 L C 1.513 178.330 176.870 -0.088 0.000 1.139 251 L CA 1.212 56.016 54.840 -0.061 0.000 0.975 251 L CB -2.049 39.961 42.059 -0.081 0.000 2.099 251 L HN 0.577 nan 8.230 nan 0.000 0.818 252 Q N -0.700 118.948 119.800 -0.253 0.000 2.152 252 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 252 Q C 0.717 176.299 176.000 -0.698 0.000 0.985 252 Q CA 2.239 57.720 55.803 -0.537 0.000 0.863 252 Q CB 0.017 28.212 28.738 -0.905 0.000 0.904 252 Q HN 0.618 nan 8.270 nan 0.000 0.422 253 F N -0.622 119.209 119.950 -0.198 0.000 2.850 253 F HA 0.395 4.922 4.527 0.000 0.000 0.329 253 F C 1.044 176.645 175.800 -0.331 0.000 1.182 253 F CA 0.078 57.736 58.000 -0.570 0.000 1.270 253 F CB 0.489 38.987 39.000 -0.837 0.000 0.979 253 F HN 0.209 nan 8.300 nan 0.000 0.506 254 G N 1.063 109.840 108.800 -0.037 0.000 2.591 254 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.298 254 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.298 254 G C 0.595 175.513 174.900 0.029 0.000 1.195 254 G CA 0.684 45.798 45.100 0.023 0.000 0.989 254 G HN 0.298 nan 8.290 nan 0.000 0.551 255 D N 1.913 122.347 120.400 0.057 0.000 2.402 255 D HA 0.458 5.098 4.640 -0.000 0.000 0.216 255 D C 1.282 177.627 176.300 0.075 0.000 1.128 255 D CA 0.647 54.678 54.000 0.052 0.000 0.833 255 D CB 0.104 40.931 40.800 0.044 0.000 0.971 255 D HN 0.884 nan 8.370 nan 0.000 0.503 256 A N 2.977 125.862 122.820 0.109 0.000 2.580 256 A HA 0.051 4.371 4.320 -0.000 0.000 0.244 256 A C -0.855 176.784 177.584 0.091 0.000 1.045 256 A CA -0.457 51.663 52.037 0.138 0.000 0.761 256 A CB 0.336 19.462 19.000 0.209 0.000 0.962 256 A HN 0.004 nan 8.150 nan 0.000 0.512 257 P HA -0.030 nan 4.420 nan 0.000 0.234 257 P C 0.140 177.460 177.300 0.034 0.000 1.167 257 P CA 0.340 63.467 63.100 0.043 0.000 0.763 257 P CB -0.363 31.356 31.700 0.031 0.000 0.835 258 L N -1.995 119.251 121.223 0.039 0.000 3.823 258 L HA -0.188 4.152 4.340 -0.000 0.000 0.525 258 L C 0.200 177.059 176.870 -0.018 0.000 1.247 258 L CA 0.131 54.975 54.840 0.006 0.000 0.776 258 L CB -2.223 39.842 42.059 0.010 0.000 1.443 258 L HN 0.077 nan 8.230 nan 0.000 0.831 259 L N 1.281 122.487 121.223 -0.028 0.000 2.379 259 L HA 0.562 4.902 4.340 -0.000 0.000 0.269 259 L C -1.601 175.215 176.870 -0.091 0.000 1.084 259 L CA -1.969 52.843 54.840 -0.047 0.000 0.802 259 L CB 1.007 43.043 42.059 -0.038 0.000 1.175 259 L HN -0.026 nan 8.230 nan 0.000 0.448 260 P HA 0.071 nan 4.420 nan 0.000 0.268 260 P C -0.486 176.675 177.300 -0.232 0.000 1.205 260 P CA -0.232 62.779 63.100 -0.148 0.000 0.771 260 P CB 0.385 32.018 31.700 -0.111 0.000 0.858 261 L N 5.028 126.027 121.223 -0.374 0.000 2.543 261 L HA 0.017 4.356 4.340 -0.000 0.000 0.285 261 L C -0.941 175.582 176.870 -0.579 0.000 1.236 261 L CA -0.787 53.663 54.840 -0.650 0.000 0.871 261 L CB -0.166 41.212 42.059 -1.135 0.000 1.121 261 L HN 0.402 nan 8.230 nan 0.000 0.501 262 P HA 0.075 nan 4.420 nan 0.000 0.249 262 P C -0.492 176.760 177.300 -0.080 0.000 1.544 262 P CA -0.173 62.792 63.100 -0.224 0.000 0.932 262 P CB -0.111 31.538 31.700 -0.086 0.000 1.524 263 F N 1.100 120.989 119.950 -0.102 0.000 2.484 263 F HA 0.299 4.826 4.527 -0.000 0.000 0.360 263 F C 1.515 177.297 175.800 -0.031 0.000 1.101 263 F CA -0.493 57.462 58.000 -0.075 0.000 1.251 263 F CB 0.252 39.170 39.000 -0.137 0.000 1.132 263 F HN -0.184 nan 8.300 nan 0.000 0.570 264 R N 1.220 121.846 120.500 0.210 0.000 2.787 264 R HA 0.405 4.745 4.340 -0.000 0.000 0.271 264 R C 0.005 176.360 176.300 0.091 0.000 0.993 264 R CA -1.129 55.042 56.100 0.118 0.000 0.993 264 R CB 1.245 31.605 30.300 0.099 0.000 1.155 264 R HN 0.544 nan 8.270 nan 0.000 0.486 265 K N 0.892 121.329 120.400 0.061 0.000 3.071 265 K HA -0.217 4.103 4.320 -0.000 0.000 0.262 265 K C -0.489 176.133 176.600 0.038 0.000 0.977 265 K CA 0.581 56.893 56.287 0.043 0.000 0.721 265 K CB -1.578 30.944 32.500 0.037 0.000 1.293 265 K HN 0.518 nan 8.250 nan 0.000 0.475 266 I N 1.439 122.035 120.570 0.044 0.000 2.662 266 I HA -0.058 4.112 4.170 -0.000 0.000 0.285 266 I C 0.783 176.911 176.117 0.020 0.000 1.161 266 I CA 0.749 62.070 61.300 0.034 0.000 1.415 266 I CB 0.253 38.283 38.000 0.049 0.000 1.385 266 I HN 0.165 nan 8.210 nan 0.000 0.552 267 E N 6.585 126.791 120.200 0.010 0.000 2.402 267 E HA 0.511 4.861 4.350 -0.000 0.000 0.244 267 E C -0.710 175.889 176.600 -0.001 0.000 0.945 267 E CA -0.801 55.602 56.400 0.004 0.000 0.774 267 E CB 1.133 30.835 29.700 0.003 0.000 1.296 267 E HN 0.715 nan 8.360 nan 0.000 0.414 268 A N 4.577 127.396 122.820 -0.001 0.000 2.511 268 A HA 0.240 4.560 4.320 -0.000 0.000 0.242 268 A C -0.044 177.536 177.584 -0.007 0.000 1.069 268 A CA 0.166 52.200 52.037 -0.005 0.000 0.763 268 A CB 0.296 19.294 19.000 -0.003 0.000 1.001 268 A HN 0.681 nan 8.150 nan 0.000 0.498 269 R N 2.671 123.164 120.500 -0.011 0.000 2.732 269 R HA 0.374 4.714 4.340 -0.000 0.000 0.278 269 R C -1.972 174.321 176.300 -0.011 0.000 0.976 269 R CA -1.861 54.233 56.100 -0.011 0.000 0.963 269 R CB 0.586 30.877 30.300 -0.014 0.000 1.150 269 R HN 0.405 nan 8.270 nan 0.000 0.478 270 P HA -0.271 nan 4.420 nan 0.000 0.219 270 P C 0.613 177.907 177.300 -0.011 0.000 1.158 270 P CA 1.621 64.716 63.100 -0.009 0.000 0.895 270 P CB 0.093 31.787 31.700 -0.009 0.000 0.792 271 D N -2.229 118.163 120.400 -0.013 0.000 2.378 271 D HA 0.013 4.653 4.640 -0.000 0.000 0.227 271 D C 1.420 177.709 176.300 -0.018 0.000 1.012 271 D CA 1.075 55.066 54.000 -0.015 0.000 0.905 271 D CB -0.724 40.066 40.800 -0.017 0.000 0.895 271 D HN 0.334 nan 8.370 nan 0.000 0.532 272 G N -0.174 108.616 108.800 -0.018 0.000 2.238 272 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.217 272 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.217 272 G C 0.423 175.307 174.900 -0.027 0.000 0.996 272 G CA 0.306 45.394 45.100 -0.021 0.000 0.632 272 G HN 0.805 nan 8.290 nan 0.000 0.503 273 S N -0.225 115.458 115.700 -0.028 0.000 2.645 273 S HA 0.821 5.291 4.470 -0.000 0.000 0.266 273 S C 0.096 174.680 174.600 -0.027 0.000 1.258 273 S CA 0.574 58.754 58.200 -0.034 0.000 0.990 273 S CB 2.063 65.242 63.200 -0.035 0.000 0.967 273 S HN 0.921 nan 8.310 nan 0.000 0.556 274 S N 0.430 116.112 115.700 -0.031 0.000 2.570 274 S HA 0.703 5.173 4.470 -0.000 0.000 0.286 274 S C -0.366 174.221 174.600 -0.023 0.000 1.099 274 S CA -0.848 57.338 58.200 -0.023 0.000 0.913 274 S CB 1.818 65.006 63.200 -0.021 0.000 1.085 274 S HN 1.034 nan 8.310 nan 0.000 0.480 275 T N 0.381 114.927 114.554 -0.013 0.000 2.928 275 T HA 0.834 5.184 4.350 -0.000 0.000 0.284 275 T C -0.542 174.158 174.700 -0.001 0.000 1.008 275 T CA -0.672 61.424 62.100 -0.007 0.000 1.057 275 T CB 0.362 69.224 68.868 -0.009 0.000 1.018 275 T HN 0.629 nan 8.240 nan 0.000 0.493 276 L N -1.495 119.737 121.223 0.015 0.000 2.671 276 L HA 0.815 5.155 4.340 -0.000 0.000 0.259 276 L C -1.854 175.070 176.870 0.090 0.000 1.021 276 L CA -1.070 53.782 54.840 0.021 0.000 0.871 276 L CB 1.384 43.409 42.059 -0.056 0.000 1.472 276 L HN 0.380 nan 8.230 nan 0.000 0.410 277 D N 1.107 121.572 120.400 0.108 0.000 2.217 277 D HA 0.821 5.461 4.640 -0.000 0.000 0.243 277 D C -0.629 175.804 176.300 0.223 0.000 1.054 277 D CA 0.220 54.322 54.000 0.169 0.000 0.838 277 D CB 2.044 42.914 40.800 0.117 0.000 1.162 277 D HN 1.034 nan 8.370 nan 0.000 0.472 278 A N 2.131 125.155 122.820 0.340 0.000 2.572 278 A HA 0.649 4.969 4.320 -0.000 0.000 0.295 278 A C -1.345 176.455 177.584 0.360 0.000 1.072 278 A CA -0.676 51.550 52.037 0.315 0.000 0.691 278 A CB 1.068 20.033 19.000 -0.058 0.000 1.291 278 A HN 0.488 nan 8.150 nan 0.000 0.404 279 L N 2.047 123.463 121.223 0.321 0.000 2.265 279 L HA 0.501 4.841 4.340 -0.000 0.000 0.289 279 L C -0.721 176.273 176.870 0.207 0.000 1.033 279 L CA -0.163 54.822 54.840 0.242 0.000 0.814 279 L CB 0.983 43.149 42.059 0.178 0.000 1.203 279 L HN 0.590 nan 8.230 nan 0.000 0.423 280 L N 4.668 125.992 121.223 0.167 0.000 2.334 280 L HA 0.581 4.921 4.340 -0.000 0.000 0.272 280 L C -2.190 174.702 176.870 0.037 0.000 1.020 280 L CA -2.170 52.715 54.840 0.074 0.000 0.812 280 L CB 1.690 43.820 42.059 0.118 0.000 1.264 280 L HN 0.323 nan 8.230 nan 0.000 0.439 281 P HA 0.124 nan 4.420 nan 0.000 0.267 281 P C 0.676 177.981 177.300 0.008 0.000 1.205 281 P CA 0.467 63.557 63.100 -0.017 0.000 0.765 281 P CB 0.813 32.483 31.700 -0.050 0.000 0.828 282 G N 1.831 110.639 108.800 0.014 0.000 2.205 282 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.261 282 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.261 282 G C -0.194 174.725 174.900 0.033 0.000 0.980 282 G CA -0.145 44.967 45.100 0.020 0.000 0.632 282 G HN 0.536 nan 8.290 nan 0.000 0.533 283 D N 0.574 121.003 120.400 0.049 0.000 2.248 283 D HA 0.651 5.291 4.640 -0.000 0.000 0.246 283 D C 0.567 176.909 176.300 0.069 0.000 1.027 283 D CA -0.112 53.927 54.000 0.064 0.000 0.853 283 D CB 1.650 42.509 40.800 0.099 0.000 1.243 283 D HN 0.106 nan 8.370 nan 0.000 0.462 284 S N -0.137 115.598 115.700 0.059 0.000 2.634 284 S HA 0.171 4.640 4.470 -0.000 0.000 0.254 284 S C 0.397 175.050 174.600 0.088 0.000 1.299 284 S CA -0.273 57.963 58.200 0.061 0.000 0.974 284 S CB 0.356 63.580 63.200 0.041 0.000 1.001 284 S HN 0.370 nan 8.310 nan 0.000 0.584 285 T N 1.909 116.515 114.554 0.086 0.000 2.930 285 T HA 0.490 4.840 4.350 -0.000 0.000 0.306 285 T C 0.018 174.769 174.700 0.084 0.000 1.045 285 T CA 0.006 62.175 62.100 0.115 0.000 1.134 285 T CB 0.394 69.323 68.868 0.101 0.000 0.961 285 T HN 0.707 nan 8.240 nan 0.000 0.545 286 A N 1.798 124.690 122.820 0.121 0.000 2.556 286 A HA 0.850 5.170 4.320 -0.000 0.000 0.294 286 A C -0.563 176.937 177.584 -0.141 0.000 1.091 286 A CA -0.864 51.137 52.037 -0.059 0.000 0.704 286 A CB 1.380 20.284 19.000 -0.160 0.000 1.300 286 A HN 1.009 nan 8.150 nan 0.000 0.406 287 A N 0.358 122.979 122.820 -0.333 0.000 2.303 287 A HA 0.839 5.159 4.320 -0.000 0.000 0.317 287 A C -1.012 176.226 177.584 -0.577 0.000 1.149 287 A CA -0.170 51.716 52.037 -0.251 0.000 0.822 287 A CB 0.049 18.963 19.000 -0.142 0.000 1.131 287 A HN 0.788 nan 8.150 nan 0.000 0.493 288 F N 0.296 120.201 119.950 -0.074 0.000 2.588 288 F HA 0.504 5.031 4.527 -0.000 0.000 0.310 288 F C -0.285 175.454 175.800 -0.100 0.000 1.082 288 F CA -0.657 57.288 58.000 -0.092 0.000 0.929 288 F CB 2.101 41.017 39.000 -0.139 0.000 1.254 288 F HN 0.508 nan 8.300 nan 0.000 0.455 289 L N 3.375 124.647 121.223 0.082 0.000 2.292 289 L HA 0.562 4.901 4.340 -0.000 0.000 0.284 289 L C -0.284 176.588 176.870 0.004 0.000 1.065 289 L CA -0.195 54.657 54.840 0.021 0.000 0.806 289 L CB 0.829 42.885 42.059 -0.005 0.000 1.175 289 L HN 0.700 nan 8.230 nan 0.000 0.431 290 R N 4.948 125.420 120.500 -0.047 0.000 2.437 290 R HA 0.712 5.052 4.340 -0.000 0.000 0.310 290 R C -1.434 174.810 176.300 -0.094 0.000 0.955 290 R CA -0.697 55.343 56.100 -0.102 0.000 0.851 290 R CB 1.471 31.688 30.300 -0.139 0.000 1.161 290 R HN 0.601 nan 8.270 nan 0.000 0.446 291 V N 0.856 120.698 119.914 -0.119 0.000 2.919 291 V HA 0.688 4.808 4.120 -0.000 0.000 0.316 291 V C -0.726 175.275 176.094 -0.154 0.000 1.077 291 V CA -0.728 61.504 62.300 -0.112 0.000 0.977 291 V CB 1.734 33.500 31.823 -0.095 0.000 1.039 291 V HN 0.985 nan 8.190 nan 0.000 0.441 292 E N 1.227 121.352 120.200 -0.125 0.000 2.343 292 E HA 0.777 5.127 4.350 -0.000 0.000 0.270 292 E C -1.015 175.527 176.600 -0.095 0.000 0.895 292 E CA -0.676 55.642 56.400 -0.136 0.000 0.767 292 E CB 2.598 32.225 29.700 -0.122 0.000 1.248 292 E HN 0.810 nan 8.360 nan 0.000 0.440 296 P HA 0.265 nan 4.420 nan 0.000 0.269 296 P C 0.756 178.038 177.300 -0.031 0.000 1.215 296 P CA 0.561 63.660 63.100 -0.001 0.000 0.780 296 P CB 0.768 32.471 31.700 0.006 0.000 0.898 297 S N -1.464 114.208 115.700 -0.047 0.000 3.382 297 S HA -0.124 4.346 4.470 -0.000 0.000 0.293 297 S C 0.370 174.876 174.600 -0.156 0.000 1.262 297 S CA 1.577 59.733 58.200 -0.074 0.000 0.969 297 S CB -1.871 61.297 63.200 -0.052 0.000 1.136 297 S HN 1.022 nan 8.310 nan 0.000 0.635 298 T N -2.007 112.430 114.554 -0.195 0.000 2.778 298 T HA 0.564 4.914 4.350 -0.000 0.000 0.293 298 T C -0.077 174.484 174.700 -0.232 0.000 1.144 298 T CA -0.674 61.190 62.100 -0.393 0.000 1.010 298 T CB 1.111 69.490 68.868 -0.815 0.000 1.325 298 T HN -0.049 nan 8.240 nan 0.000 0.515 299 N N -0.104 118.441 118.700 -0.258 0.000 2.276 299 N HA 0.157 4.897 4.740 -0.000 0.000 0.212 299 N C -0.953 174.706 175.510 0.249 0.000 1.127 299 N CA -0.086 52.980 53.050 0.028 0.000 0.834 299 N CB 0.143 38.692 38.487 0.104 0.000 1.014 299 N HN 0.521 nan 8.380 nan 0.000 0.491 300 W N 0.903 122.226 121.300 0.039 0.000 2.516 300 W HA 0.477 5.137 4.660 -0.000 0.000 0.343 300 W C 0.789 177.307 176.519 -0.001 0.000 1.094 300 W CA -0.888 56.468 57.345 0.019 0.000 1.250 300 W CB 0.657 30.123 29.460 0.010 0.000 1.308 300 W HN -0.325 nan 8.180 nan 0.000 0.588 301 R N 2.240 122.869 120.500 0.216 0.000 2.494 301 R HA 0.556 4.896 4.340 -0.000 0.000 0.305 301 R C -1.250 175.047 176.300 -0.004 0.000 0.959 301 R CA -1.033 55.114 56.100 0.077 0.000 0.864 301 R CB 1.797 32.117 30.300 0.034 0.000 1.159 301 R HN 0.618 nan 8.270 nan 0.000 0.446 302 L N 3.067 124.252 121.223 -0.064 0.000 2.295 302 L HA 0.411 4.751 4.340 -0.000 0.000 0.285 302 L C -0.821 175.858 176.870 -0.319 0.000 1.035 302 L CA -0.172 54.548 54.840 -0.200 0.000 0.806 302 L CB 1.366 43.311 42.059 -0.191 0.000 1.214 302 L HN 0.626 nan 8.230 nan 0.000 0.426 303 E N 3.974 123.835 120.200 -0.565 0.000 2.210 303 E HA 0.362 4.712 4.350 -0.000 0.000 0.266 303 E C -1.473 174.725 176.600 -0.670 0.000 0.883 303 E CA -0.561 55.446 56.400 -0.656 0.000 0.761 303 E CB 1.989 31.140 29.700 -0.915 0.000 1.156 303 E HN 0.487 nan 8.360 nan 0.000 0.412 304 Q N 4.103 123.647 119.800 -0.427 0.000 2.356 304 Q HA 0.408 4.748 4.340 -0.000 0.000 0.270 304 Q C -1.460 174.413 176.000 -0.211 0.000 1.058 304 Q CA -0.708 54.901 55.803 -0.323 0.000 0.802 304 Q CB 1.164 29.728 28.738 -0.290 0.000 1.303 304 Q HN 0.536 nan 8.270 nan 0.000 0.444 305 L N 2.327 123.460 121.223 -0.151 0.000 2.289 305 L HA 0.486 4.826 4.340 -0.000 0.000 0.285 305 L C -0.421 176.502 176.870 0.090 0.000 1.049 305 L CA -0.622 54.174 54.840 -0.074 0.000 0.804 305 L CB 1.828 43.714 42.059 -0.288 0.000 1.195 305 L HN 0.597 nan 8.230 nan 0.000 0.428 306 S N 3.751 119.550 115.700 0.166 0.000 2.530 306 S HA 0.378 4.848 4.470 -0.000 0.000 0.322 306 S C -2.442 172.273 174.600 0.191 0.000 1.085 306 S CA -1.240 57.054 58.200 0.156 0.000 1.096 306 S CB 1.515 64.743 63.200 0.046 0.000 0.988 306 S HN 0.381 nan 8.310 nan 0.000 0.466 307 P HA 0.068 nan 4.420 nan 0.000 0.262 307 P C -0.301 176.888 177.300 -0.185 0.000 1.199 307 P CA -0.433 62.537 63.100 -0.216 0.000 0.763 307 P CB 0.267 31.909 31.700 -0.096 0.000 0.790 308 L N 0.000 121.061 121.223 -0.271 0.000 2.949 308 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 308 L CA 0.000 54.740 54.840 -0.166 0.000 0.813 308 L CB 0.000 41.959 42.059 -0.166 0.000 0.961 308 L HN 0.000 nan 8.230 nan 0.000 0.502