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 2wwu_1_A DATA FIRST_RESID 80 DATA SEQUENCE VKTGSPTFVR ELRSRTFDSS DEVILKPTGN QLTVEFLEEN SFSVPILVLK DATA SEQUENCE KDGLGMTLPS PSFTVRDVEH YVGSDKEIDV IDVTRQADCK MKLGDFVKYY DATA SEQUENCE YSGKREKVLN VISLEFSDTR LSNLVETPKI VRKLSWVENL WPEECVFERP DATA SEQUENCE NVQKYCLMSV RDSYTDFHID FGGTSVWYHV LKGEKIFYLI RPTNANLTLF DATA SEQUENCE ECWSSSSNQN EMFFGDQVDK CYKCSVKQGQ TLFIPTGWIH AVLTPVDCLA DATA SEQUENCE FGGNFLHSLN IEMQLKAYEI EKRLSTADLF RFPNFETICW YVGKHILDIF DATA SEQUENCE RGLRENRRHP ASYLVHGGKA LNLAFRAWTR KEALPDHEDE IPETVRTVQL DATA SEQUENCE IKDLAREIRL VED 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 80 V HA 0.000 nan 4.120 nan 0.000 0.244 80 V C 0.000 176.134 176.094 0.067 0.000 1.182 80 V CA 0.000 62.347 62.300 0.078 0.000 1.235 80 V CB 0.000 31.895 31.823 0.121 0.000 1.184 81 K N 1.445 121.860 120.400 0.024 0.000 2.234 81 K HA 0.529 4.849 4.320 0.001 0.000 0.282 81 K C 0.276 176.754 176.600 -0.204 0.000 1.039 81 K CA -0.543 55.714 56.287 -0.050 0.000 0.928 81 K CB 1.772 34.247 32.500 -0.041 0.000 1.039 81 K HN 0.846 nan 8.250 nan 0.000 0.470 82 T N 2.047 116.366 114.554 -0.392 0.000 2.831 82 T HA 0.316 4.667 4.350 0.001 0.000 0.291 82 T C 1.444 175.753 174.700 -0.652 0.000 0.981 82 T CA 1.491 62.980 62.100 -1.017 0.000 1.174 82 T CB 0.134 68.662 68.868 -0.568 0.000 0.929 82 T HN 0.977 nan 8.240 nan 0.000 0.532 83 G N 3.137 111.494 108.800 -0.738 0.000 2.284 83 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 83 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 83 G C 0.526 175.461 174.900 0.058 0.000 1.009 83 G CA -0.009 45.033 45.100 -0.096 0.000 0.625 83 G HN 1.131 nan 8.290 nan 0.000 0.501 84 S N 1.328 117.045 115.700 0.029 0.000 2.572 84 S HA 0.415 4.886 4.470 0.001 0.000 0.267 84 S C -0.836 173.838 174.600 0.122 0.000 1.361 84 S CA 0.119 58.363 58.200 0.073 0.000 1.009 84 S CB 1.297 64.531 63.200 0.056 0.000 0.888 84 S HN 0.115 nan 8.310 nan 0.000 0.553 85 P HA -0.047 nan 4.420 nan 0.000 0.220 85 P C 1.775 179.105 177.300 0.050 0.000 1.148 85 P CA 1.573 64.711 63.100 0.064 0.000 0.803 85 P CB -0.282 31.443 31.700 0.042 0.000 0.782 86 T N -3.542 111.048 114.554 0.060 0.000 2.894 86 T HA -0.123 4.227 4.350 0.001 0.000 0.258 86 T C 1.721 176.439 174.700 0.029 0.000 1.043 86 T CA 0.395 62.515 62.100 0.033 0.000 1.141 86 T CB -1.363 67.526 68.868 0.034 0.000 0.873 86 T HN -0.051 nan 8.240 nan 0.000 0.449 87 F N 2.272 122.180 119.950 -0.071 0.000 2.091 87 F HA -0.076 4.452 4.527 0.001 0.000 0.299 87 F C 2.182 177.888 175.800 -0.156 0.000 1.103 87 F CA 1.437 59.366 58.000 -0.118 0.000 1.228 87 F CB -0.596 38.331 39.000 -0.121 0.000 0.984 87 F HN 0.035 nan 8.300 nan 0.000 0.477 88 V N 0.665 120.529 119.914 -0.082 0.000 2.358 88 V HA -0.283 3.837 4.120 0.001 0.000 0.246 88 V C 2.927 178.921 176.094 -0.168 0.000 1.047 88 V CA 2.528 64.733 62.300 -0.159 0.000 1.035 88 V CB -1.570 30.266 31.823 0.023 0.000 0.658 88 V HN 0.472 nan 8.190 nan 0.000 0.452 89 R N 0.123 120.561 120.500 -0.102 0.000 2.105 89 R HA -0.241 4.100 4.340 0.001 0.000 0.239 89 R C 2.032 178.249 176.300 -0.139 0.000 1.135 89 R CA 2.109 58.157 56.100 -0.087 0.000 0.967 89 R CB -1.074 29.194 30.300 -0.053 0.000 0.861 89 R HN 0.735 nan 8.270 nan 0.000 0.442 90 E N 0.244 120.319 120.200 -0.209 0.000 2.046 90 E HA 0.002 4.353 4.350 0.001 0.000 0.190 90 E C 2.209 178.601 176.600 -0.347 0.000 0.982 90 E CA 0.836 57.080 56.400 -0.259 0.000 0.800 90 E CB -0.145 29.391 29.700 -0.272 0.000 0.756 90 E HN 0.417 nan 8.360 nan 0.000 0.449 91 L N 1.205 122.122 121.223 -0.509 0.000 2.043 91 L HA -0.239 4.102 4.340 0.001 0.000 0.212 91 L C 2.407 179.176 176.870 -0.170 0.000 1.075 91 L CA 1.536 56.080 54.840 -0.493 0.000 0.752 91 L CB -0.180 41.490 42.059 -0.649 0.000 0.891 91 L HN 0.134 nan 8.230 nan 0.000 0.432 92 R N -0.489 119.941 120.500 -0.117 0.000 2.096 92 R HA -0.134 4.206 4.340 0.001 0.000 0.235 92 R C 2.273 178.569 176.300 -0.006 0.000 1.127 92 R CA 1.664 57.761 56.100 -0.005 0.000 0.968 92 R CB -0.286 30.006 30.300 -0.013 0.000 0.861 92 R HN 0.522 nan 8.270 nan 0.000 0.440 93 S N 0.271 115.928 115.700 -0.072 0.000 2.527 93 S HA 0.045 4.515 4.470 0.001 0.000 0.222 93 S C 0.745 175.281 174.600 -0.107 0.000 0.985 93 S CA -0.122 58.034 58.200 -0.073 0.000 0.921 93 S CB 0.024 63.170 63.200 -0.089 0.000 0.772 93 S HN 0.125 nan 8.310 nan 0.000 0.529 94 R N 1.035 121.437 120.500 -0.163 0.000 2.539 94 R HA 0.336 4.676 4.340 0.001 0.000 0.275 94 R C 1.609 177.791 176.300 -0.197 0.000 1.077 94 R CA 0.550 56.447 56.100 -0.339 0.000 1.097 94 R CB 0.568 30.449 30.300 -0.699 0.000 1.018 94 R HN 0.386 nan 8.270 nan 0.000 0.483 95 T N 0.585 114.971 114.554 -0.280 0.000 3.045 95 T HA 0.138 4.489 4.350 0.001 0.000 0.239 95 T C 0.150 174.964 174.700 0.189 0.000 1.008 95 T CA 0.113 62.209 62.100 -0.006 0.000 1.143 95 T CB -0.058 68.802 68.868 -0.014 0.000 0.894 95 T HN 0.467 nan 8.240 nan 0.000 0.451 96 F N 1.398 121.407 119.950 0.099 0.000 2.183 96 F HA -0.105 4.423 4.527 0.001 0.000 0.318 96 F C 0.058 175.915 175.800 0.096 0.000 0.131 96 F CA 0.373 58.444 58.000 0.118 0.000 0.912 96 F CB -1.183 37.954 39.000 0.229 0.000 4.135 96 F HN 0.229 nan 8.300 nan 0.000 0.137 97 D N 0.403 120.991 120.400 0.314 0.000 2.302 97 D HA 0.288 4.928 4.640 0.001 0.000 0.248 97 D C -0.122 176.379 176.300 0.334 0.000 1.094 97 D CA -0.062 54.069 54.000 0.218 0.000 0.897 97 D CB 1.594 42.409 40.800 0.024 0.000 1.200 97 D HN 0.494 nan 8.370 nan 0.000 0.429 98 S N 0.318 116.193 115.700 0.292 0.000 2.531 98 S HA 0.008 4.479 4.470 0.001 0.000 0.279 98 S C 1.528 176.305 174.600 0.296 0.000 1.305 98 S CA -0.452 57.901 58.200 0.255 0.000 1.058 98 S CB 0.554 63.855 63.200 0.168 0.000 0.899 98 S HN 0.440 nan 8.310 nan 0.000 0.493 99 S N 3.388 119.217 115.700 0.215 0.000 2.440 99 S HA -0.128 4.343 4.470 0.001 0.000 0.238 99 S C 0.988 175.586 174.600 -0.003 0.000 1.010 99 S CA 1.178 59.436 58.200 0.096 0.000 0.972 99 S CB -0.440 62.795 63.200 0.058 0.000 0.774 99 S HN 0.797 nan 8.310 nan 0.000 0.501 100 D N 1.984 122.411 120.400 0.045 0.000 2.309 100 D HA -0.042 4.598 4.640 0.001 0.000 0.212 100 D C 1.703 178.008 176.300 0.007 0.000 0.968 100 D CA 0.884 54.897 54.000 0.021 0.000 0.882 100 D CB -0.308 40.518 40.800 0.042 0.000 0.918 100 D HN 0.698 nan 8.370 nan 0.000 0.503 101 E N -0.290 119.922 120.200 0.021 0.000 2.358 101 E HA -0.058 4.293 4.350 0.001 0.000 0.195 101 E C 1.803 178.353 176.600 -0.083 0.000 1.010 101 E CA 0.615 57.028 56.400 0.022 0.000 0.856 101 E CB 0.492 30.284 29.700 0.153 0.000 0.795 101 E HN 0.322 nan 8.360 nan 0.000 0.504 102 V N -1.740 118.045 119.914 -0.216 0.000 3.368 102 V HA 0.203 4.323 4.120 0.001 0.000 0.255 102 V C 0.893 176.872 176.094 -0.191 0.000 1.466 102 V CA -0.540 61.607 62.300 -0.256 0.000 1.095 102 V CB -0.364 31.141 31.823 -0.530 0.000 0.899 102 V HN 0.143 nan 8.190 nan 0.000 0.440 103 I N 1.044 121.507 120.570 -0.178 0.000 2.779 103 I HA 0.487 4.658 4.170 0.001 0.000 0.285 103 I C -0.333 175.750 176.117 -0.057 0.000 1.134 103 I CA -0.291 60.929 61.300 -0.133 0.000 1.398 103 I CB 0.843 38.775 38.000 -0.114 0.000 1.404 103 I HN 0.070 nan 8.210 nan 0.000 0.587 104 L N 5.101 126.311 121.223 -0.021 0.000 2.343 104 L HA 0.472 4.812 4.340 0.001 0.000 0.275 104 L C 0.217 177.100 176.870 0.021 0.000 1.056 104 L CA -0.637 54.224 54.840 0.035 0.000 0.804 104 L CB 1.188 43.318 42.059 0.118 0.000 1.203 104 L HN 0.651 nan 8.230 nan 0.000 0.440 105 K N 2.472 122.882 120.400 0.016 0.000 3.206 105 K HA 0.286 4.607 4.320 0.001 0.000 0.180 105 K C -2.400 174.168 176.600 -0.053 0.000 1.088 105 K CA -1.238 55.040 56.287 -0.015 0.000 0.872 105 K CB 0.706 33.202 32.500 -0.007 0.000 0.976 105 K HN 0.370 nan 8.250 nan 0.000 0.564 106 P HA 0.016 nan 4.420 nan 0.000 0.272 106 P C 0.128 177.304 177.300 -0.206 0.000 1.240 106 P CA -0.092 62.862 63.100 -0.244 0.000 0.791 106 P CB 0.628 31.956 31.700 -0.620 0.000 0.978 107 T N -3.073 111.364 114.554 -0.196 0.000 2.788 107 T HA 0.279 4.630 4.350 0.001 0.000 0.287 107 T C 1.766 176.346 174.700 -0.200 0.000 1.007 107 T CA -0.011 61.998 62.100 -0.150 0.000 1.005 107 T CB 0.165 68.963 68.868 -0.116 0.000 1.012 107 T HN 0.494 nan 8.240 nan 0.000 0.530 108 G N 1.048 109.763 108.800 -0.142 0.000 2.476 108 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 108 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 108 G C 1.493 176.276 174.900 -0.194 0.000 1.164 108 G CA 0.567 45.573 45.100 -0.157 0.000 0.768 108 G HN 0.730 nan 8.290 nan 0.000 0.560 109 N N 0.342 118.946 118.700 -0.161 0.000 2.289 109 N HA -0.061 4.679 4.740 0.001 0.000 0.184 109 N C 2.334 177.727 175.510 -0.194 0.000 1.016 109 N CA 0.874 53.834 53.050 -0.151 0.000 0.872 109 N CB -0.231 38.191 38.487 -0.108 0.000 0.973 109 N HN 0.513 nan 8.380 nan 0.000 0.433 110 Q N -0.316 119.326 119.800 -0.264 0.000 2.269 110 Q HA 0.041 4.382 4.340 0.001 0.000 0.201 110 Q C 0.046 175.677 176.000 -0.616 0.000 0.946 110 Q CA 0.064 55.646 55.803 -0.368 0.000 0.877 110 Q CB 0.168 28.669 28.738 -0.396 0.000 0.963 110 Q HN 0.115 nan 8.270 nan 0.000 0.472 111 L N 2.520 123.374 121.223 -0.615 0.000 2.448 111 L HA 0.113 4.453 4.340 0.001 0.000 0.278 111 L C -0.092 176.543 176.870 -0.391 0.000 1.201 111 L CA 0.476 54.901 54.840 -0.692 0.000 1.036 111 L CB -0.414 41.258 42.059 -0.645 0.000 1.325 111 L HN 0.034 nan 8.230 nan 0.000 0.441 112 T N -0.473 113.946 114.554 -0.225 0.000 2.905 112 T HA 0.431 4.782 4.350 0.001 0.000 0.283 112 T C 1.209 175.874 174.700 -0.058 0.000 1.031 112 T CA -0.420 61.608 62.100 -0.121 0.000 1.002 112 T CB 1.091 69.921 68.868 -0.062 0.000 1.200 112 T HN -0.022 nan 8.240 nan 0.000 0.560 113 V N 0.629 120.505 119.914 -0.063 0.000 2.343 113 V HA -0.102 4.018 4.120 0.001 0.000 0.247 113 V C 2.821 178.908 176.094 -0.012 0.000 1.051 113 V CA 2.276 64.546 62.300 -0.049 0.000 1.036 113 V CB -0.944 30.864 31.823 -0.024 0.000 0.654 113 V HN 1.039 nan 8.190 nan 0.000 0.451 114 E N -0.349 119.862 120.200 0.018 0.000 2.077 114 E HA -0.274 4.077 4.350 0.001 0.000 0.193 114 E C 2.101 178.719 176.600 0.030 0.000 0.989 114 E CA 1.645 58.064 56.400 0.032 0.000 0.800 114 E CB -0.218 29.505 29.700 0.039 0.000 0.746 114 E HN 0.557 nan 8.360 nan 0.000 0.452 115 F N 1.317 121.207 119.950 -0.099 0.000 2.065 115 F HA -0.245 4.282 4.527 0.001 0.000 0.298 115 F C 1.926 177.645 175.800 -0.135 0.000 1.112 115 F CA 1.653 59.583 58.000 -0.117 0.000 1.212 115 F CB -0.208 38.699 39.000 -0.154 0.000 0.975 115 F HN 0.012 nan 8.300 nan 0.000 0.476 116 L N -0.264 120.911 121.223 -0.080 0.000 2.217 116 L HA -0.143 4.197 4.340 0.001 0.000 0.211 116 L C 2.305 179.032 176.870 -0.238 0.000 1.107 116 L CA 1.284 55.990 54.840 -0.222 0.000 0.783 116 L CB -0.689 41.237 42.059 -0.222 0.000 0.919 116 L HN 0.233 nan 8.230 nan 0.000 0.442 117 E N 0.098 120.188 120.200 -0.184 0.000 2.072 117 E HA -0.198 4.152 4.350 0.001 0.000 0.191 117 E C 2.022 178.556 176.600 -0.110 0.000 0.985 117 E CA 1.061 57.347 56.400 -0.191 0.000 0.801 117 E CB 0.071 29.767 29.700 -0.005 0.000 0.750 117 E HN 0.516 nan 8.360 nan 0.000 0.452 118 E N 0.703 120.834 120.200 -0.115 0.000 2.028 118 E HA -0.083 4.268 4.350 0.001 0.000 0.190 118 E C 1.838 178.332 176.600 -0.177 0.000 0.984 118 E CA 0.660 56.996 56.400 -0.107 0.000 0.800 118 E CB -0.038 29.598 29.700 -0.108 0.000 0.758 118 E HN 0.211 nan 8.360 nan 0.000 0.448 119 N N 0.465 118.956 118.700 -0.349 0.000 2.457 119 N HA -0.046 4.695 4.740 0.001 0.000 0.180 119 N C 0.168 175.551 175.510 -0.212 0.000 1.050 119 N CA 0.237 53.063 53.050 -0.373 0.000 0.906 119 N CB 0.372 38.405 38.487 -0.757 0.000 0.968 119 N HN -0.068 nan 8.380 nan 0.000 0.445 120 S N -0.628 114.967 115.700 -0.175 0.000 3.799 120 S HA -0.254 4.216 4.470 0.001 0.000 0.726 120 S C -0.867 173.731 174.600 -0.002 0.000 1.480 120 S CA -0.173 57.978 58.200 -0.082 0.000 1.488 120 S CB -0.683 62.506 63.200 -0.018 0.000 0.408 120 S HN 0.336 nan 8.310 nan 0.000 0.868 121 F N 2.956 122.831 119.950 -0.125 0.000 2.471 121 F HA 0.567 5.094 4.527 0.001 0.000 0.318 121 F C 0.915 176.700 175.800 -0.025 0.000 1.308 121 F CA -0.401 57.536 58.000 -0.105 0.000 1.162 121 F CB 0.164 39.072 39.000 -0.154 0.000 1.383 121 F HN 0.568 nan 8.300 nan 0.000 0.552 122 S N 0.608 116.368 115.700 0.100 0.000 2.603 122 S HA 0.411 4.882 4.470 0.001 0.000 0.232 122 S C 0.007 174.691 174.600 0.139 0.000 1.016 122 S CA 0.386 58.640 58.200 0.089 0.000 0.976 122 S CB -0.302 62.967 63.200 0.114 0.000 0.921 122 S HN 0.255 nan 8.310 nan 0.000 0.516 123 V N -2.361 117.530 119.914 -0.039 0.000 3.040 123 V HA 0.758 4.878 4.120 0.001 0.000 0.312 123 V C -3.417 172.435 176.094 -0.402 0.000 1.115 123 V CA -3.038 59.088 62.300 -0.291 0.000 0.998 123 V CB 1.277 33.028 31.823 -0.119 0.000 1.042 123 V HN -0.127 nan 8.190 nan 0.000 0.433 124 P HA 0.450 nan 4.420 nan 0.000 0.269 124 P C -0.803 176.430 177.300 -0.112 0.000 1.215 124 P CA 0.128 62.992 63.100 -0.393 0.000 0.780 124 P CB 0.392 31.784 31.700 -0.513 0.000 0.898 125 I N 2.084 122.688 120.570 0.056 0.000 2.447 125 I HA 0.317 4.488 4.170 0.001 0.000 0.287 125 I C -0.712 175.493 176.117 0.148 0.000 1.023 125 I CA -0.839 60.514 61.300 0.088 0.000 1.083 125 I CB 1.689 39.722 38.000 0.056 0.000 1.245 125 I HN 0.122 nan 8.210 nan 0.000 0.434 126 L N 8.411 129.673 121.223 0.065 0.000 2.319 126 L HA 0.554 4.895 4.340 0.001 0.000 0.281 126 L C -0.910 175.999 176.870 0.064 0.000 1.005 126 L CA -0.392 54.486 54.840 0.064 0.000 0.828 126 L CB 1.594 43.653 42.059 -0.000 0.000 1.227 126 L HN 0.293 nan 8.230 nan 0.000 0.415 127 V N 6.949 126.934 119.914 0.119 0.000 2.347 127 V HA 0.221 4.341 4.120 0.001 0.000 0.280 127 V C 1.265 177.398 176.094 0.065 0.000 1.021 127 V CA -0.427 61.919 62.300 0.076 0.000 0.847 127 V CB 1.271 33.164 31.823 0.117 0.000 0.990 127 V HN 0.828 nan 8.190 nan 0.000 0.444 128 L N 3.112 124.353 121.223 0.030 0.000 2.017 128 L HA -0.021 4.319 4.340 0.001 0.000 0.208 128 L C 1.029 177.924 176.870 0.043 0.000 1.073 128 L CA 1.515 56.371 54.840 0.028 0.000 0.745 128 L CB -0.203 41.864 42.059 0.014 0.000 0.894 128 L HN 0.525 nan 8.230 nan 0.000 0.432 129 K N -0.018 120.406 120.400 0.040 0.000 2.259 129 K HA 0.174 4.495 4.320 0.001 0.000 0.249 129 K C 0.552 177.188 176.600 0.061 0.000 0.942 129 K CA -0.494 55.825 56.287 0.052 0.000 0.816 129 K CB 1.961 34.477 32.500 0.027 0.000 1.155 129 K HN -0.035 nan 8.250 nan 0.000 0.428 130 K N -0.061 120.392 120.400 0.087 0.000 2.365 130 K HA -0.024 4.296 4.320 0.001 0.000 0.199 130 K C -0.542 176.056 176.600 -0.004 0.000 1.045 130 K CA 0.649 56.975 56.287 0.065 0.000 0.962 130 K CB -0.034 32.503 32.500 0.061 0.000 0.759 130 K HN 0.417 nan 8.250 nan 0.000 0.469 131 D N 1.556 121.952 120.400 -0.008 0.000 2.586 131 D HA 0.077 4.717 4.640 0.001 0.000 0.234 131 D C 1.165 177.433 176.300 -0.054 0.000 1.132 131 D CA 1.766 55.747 54.000 -0.032 0.000 0.860 131 D CB 0.618 41.403 40.800 -0.025 0.000 1.159 131 D HN 0.450 nan 8.370 nan 0.000 0.490 132 G N 1.563 110.321 108.800 -0.070 0.000 2.253 132 G HA2 -0.322 3.638 3.960 0.001 0.000 0.251 132 G HA3 -0.322 3.638 3.960 0.001 0.000 0.251 132 G C 1.067 175.899 174.900 -0.114 0.000 0.998 132 G CA 0.204 45.249 45.100 -0.091 0.000 0.621 132 G HN 0.500 nan 8.290 nan 0.000 0.524 133 L N 0.875 122.035 121.223 -0.104 0.000 2.465 133 L HA 0.301 4.641 4.340 0.001 0.000 0.224 133 L C 2.356 179.133 176.870 -0.156 0.000 1.145 133 L CA 1.058 55.825 54.840 -0.122 0.000 0.834 133 L CB -0.422 41.593 42.059 -0.073 0.000 0.944 133 L HN 1.143 nan 8.230 nan 0.000 0.451 134 G N 0.140 108.856 108.800 -0.141 0.000 2.153 134 G HA2 -0.312 3.648 3.960 0.001 0.000 0.252 134 G HA3 -0.312 3.648 3.960 0.001 0.000 0.252 134 G C 0.318 175.112 174.900 -0.176 0.000 0.994 134 G CA 0.173 45.185 45.100 -0.148 0.000 0.698 134 G HN 0.256 nan 8.290 nan 0.000 0.521 135 M N 0.270 119.753 119.600 -0.195 0.000 2.227 135 M HA 0.484 4.964 4.480 0.001 0.000 0.316 135 M C 0.377 176.563 176.300 -0.190 0.000 1.144 135 M CA 0.439 55.599 55.300 -0.233 0.000 1.121 135 M CB 0.979 33.408 32.600 -0.285 0.000 1.440 135 M HN 0.088 nan 8.290 nan 0.000 0.473 136 T N 2.705 117.141 114.554 -0.196 0.000 2.848 136 T HA 0.764 5.115 4.350 0.001 0.000 0.285 136 T C -0.775 173.791 174.700 -0.223 0.000 0.995 136 T CA -0.657 61.337 62.100 -0.177 0.000 0.970 136 T CB 1.197 69.976 68.868 -0.148 0.000 0.976 136 T HN 0.452 nan 8.240 nan 0.000 0.441 137 L N 3.684 124.778 121.223 -0.215 0.000 2.465 137 L HA 0.575 4.915 4.340 0.001 0.000 0.257 137 L C -2.142 174.590 176.870 -0.230 0.000 0.988 137 L CA -2.230 52.454 54.840 -0.260 0.000 0.827 137 L CB 2.344 44.290 42.059 -0.189 0.000 1.397 137 L HN 0.428 nan 8.230 nan 0.000 0.410 138 P HA 0.119 nan 4.420 nan 0.000 0.273 138 P C -0.465 176.801 177.300 -0.056 0.000 1.250 138 P CA -0.420 62.511 63.100 -0.283 0.000 0.793 138 P CB 0.626 31.853 31.700 -0.789 0.000 1.011 139 S N -0.156 115.575 115.700 0.052 0.000 2.596 139 S HA 0.157 4.627 4.470 0.001 0.000 0.260 139 S C -1.721 172.979 174.600 0.167 0.000 1.336 139 S CA -0.762 57.500 58.200 0.102 0.000 0.993 139 S CB -0.375 62.890 63.200 0.108 0.000 0.923 139 S HN 0.246 nan 8.310 nan 0.000 0.567 140 P HA 0.012 nan 4.420 nan 0.000 0.236 140 P C 1.153 178.560 177.300 0.178 0.000 1.172 140 P CA 0.888 64.090 63.100 0.170 0.000 0.759 140 P CB -0.216 31.562 31.700 0.130 0.000 0.843 141 S N -2.388 113.422 115.700 0.183 0.000 2.562 141 S HA 0.011 4.482 4.470 0.001 0.000 0.221 141 S C 0.578 175.307 174.600 0.216 0.000 0.975 141 S CA -0.422 57.879 58.200 0.168 0.000 0.918 141 S CB -1.132 62.147 63.200 0.130 0.000 0.772 141 S HN -0.074 nan 8.310 nan 0.000 0.531 142 F N 4.178 124.189 119.950 0.101 0.000 2.629 142 F HA 0.333 4.860 4.527 0.000 0.000 0.369 142 F C 1.043 176.906 175.800 0.105 0.000 1.125 142 F CA 0.833 58.902 58.000 0.115 0.000 1.330 142 F CB 0.596 39.680 39.000 0.140 0.000 1.071 142 F HN 0.327 nan 8.300 nan 0.000 0.595 143 T N 1.085 115.492 114.554 -0.245 0.000 2.864 143 T HA 0.403 4.753 4.350 0.001 0.000 0.289 143 T C 0.620 175.231 174.700 -0.149 0.000 1.082 143 T CA -0.661 61.389 62.100 -0.084 0.000 1.009 143 T CB 1.092 69.974 68.868 0.023 0.000 1.234 143 T HN 0.270 nan 8.240 nan 0.000 0.526 144 V N 0.907 120.774 119.914 -0.078 0.000 2.392 144 V HA -0.126 3.995 4.120 0.001 0.000 0.249 144 V C 2.972 179.102 176.094 0.060 0.000 1.059 144 V CA 2.308 64.541 62.300 -0.112 0.000 1.051 144 V CB -1.030 30.457 31.823 -0.561 0.000 0.658 144 V HN 0.915 nan 8.190 nan 0.000 0.455 145 R N 0.828 121.430 120.500 0.170 0.000 2.083 145 R HA -0.165 4.175 4.340 0.001 0.000 0.237 145 R C 1.915 178.202 176.300 -0.020 0.000 1.137 145 R CA 2.012 58.155 56.100 0.072 0.000 0.951 145 R CB -0.913 29.351 30.300 -0.060 0.000 0.851 145 R HN 0.520 nan 8.270 nan 0.000 0.434 146 D N -0.469 119.826 120.400 -0.175 0.000 2.123 146 D HA -0.147 4.493 4.640 0.001 0.000 0.196 146 D C 1.934 178.232 176.300 -0.004 0.000 0.992 146 D CA 1.635 55.474 54.000 -0.268 0.000 0.833 146 D CB -0.288 39.845 40.800 -1.112 0.000 0.954 146 D HN 0.114 nan 8.370 nan 0.000 0.455 147 V N 1.149 121.039 119.914 -0.040 0.000 2.287 147 V HA -0.258 3.862 4.120 0.001 0.000 0.248 147 V C 2.506 178.709 176.094 0.182 0.000 1.053 147 V CA 2.008 64.421 62.300 0.189 0.000 1.027 147 V CB -0.500 31.407 31.823 0.141 0.000 0.646 147 V HN 0.257 nan 8.190 nan 0.000 0.447 148 E N -0.328 119.952 120.200 0.134 0.000 2.085 148 E HA -0.343 4.008 4.350 0.001 0.000 0.194 148 E C 2.187 178.852 176.600 0.110 0.000 0.994 148 E CA 1.979 58.456 56.400 0.128 0.000 0.801 148 E CB -0.221 29.556 29.700 0.127 0.000 0.743 148 E HN 0.829 nan 8.360 nan 0.000 0.453 149 H N -1.061 118.005 119.070 -0.006 0.000 2.353 149 H HA -0.150 4.407 4.556 0.000 0.000 0.300 149 H C 1.377 176.606 175.328 -0.164 0.000 1.090 149 H CA 2.126 58.101 56.048 -0.122 0.000 1.327 149 H CB -0.238 29.383 29.762 -0.234 0.000 1.383 149 H HN 0.246 nan 8.280 nan 0.000 0.508 150 Y N -1.279 118.997 120.300 -0.040 0.000 2.475 150 Y HA 0.048 4.599 4.550 0.000 0.000 0.289 150 Y C 2.320 178.213 175.900 -0.012 0.000 1.121 150 Y CA 0.764 58.828 58.100 -0.060 0.000 1.257 150 Y CB 0.501 39.028 38.460 0.111 0.000 1.026 150 Y HN 0.129 nan 8.280 nan 0.000 0.555 151 V N -1.758 118.244 119.914 0.147 0.000 2.922 151 V HA 0.413 4.534 4.120 0.001 0.000 0.242 151 V C 0.699 176.839 176.094 0.077 0.000 1.094 151 V CA 0.805 63.185 62.300 0.133 0.000 1.106 151 V CB -0.006 31.908 31.823 0.152 0.000 0.799 151 V HN 0.365 nan 8.190 nan 0.000 0.474 152 G N -0.006 108.823 108.800 0.050 0.000 3.226 152 G HA2 -0.109 3.851 3.960 0.001 0.000 0.685 152 G HA3 -0.109 3.851 3.960 0.001 0.000 0.685 152 G C 0.271 175.207 174.900 0.060 0.000 1.207 152 G CA -0.082 45.039 45.100 0.036 0.000 0.877 152 G HN 0.025 nan 8.290 nan 0.000 0.585 153 S N 0.594 116.328 115.700 0.057 0.000 2.402 153 S HA -0.103 4.368 4.470 0.001 0.000 0.233 153 S C 1.641 176.282 174.600 0.068 0.000 1.030 153 S CA 1.777 60.019 58.200 0.070 0.000 1.003 153 S CB -0.049 63.187 63.200 0.059 0.000 0.813 153 S HN 0.677 nan 8.310 nan 0.000 0.477 154 D N 0.629 121.061 120.400 0.053 0.000 2.339 154 D HA 0.055 4.695 4.640 0.001 0.000 0.217 154 D C 0.448 176.778 176.300 0.049 0.000 1.050 154 D CA 0.181 54.209 54.000 0.048 0.000 0.856 154 D CB 0.086 40.908 40.800 0.037 0.000 0.922 154 D HN 0.099 nan 8.370 nan 0.000 0.518 155 K N 1.830 122.264 120.400 0.057 0.000 2.447 155 K HA -0.024 4.296 4.320 0.001 0.000 0.281 155 K C 0.233 176.865 176.600 0.052 0.000 1.031 155 K CA -0.124 56.196 56.287 0.056 0.000 1.019 155 K CB 0.098 32.640 32.500 0.070 0.000 0.918 155 K HN 0.009 nan 8.250 nan 0.000 0.476 156 E N 3.096 123.321 120.200 0.041 0.000 2.316 156 E HA 0.236 4.587 4.350 0.001 0.000 0.275 156 E C 0.376 176.993 176.600 0.028 0.000 1.029 156 E CA -0.082 56.337 56.400 0.033 0.000 0.871 156 E CB 0.618 30.332 29.700 0.023 0.000 1.022 156 E HN 0.679 nan 8.360 nan 0.000 0.418 157 I N -0.949 119.630 120.570 0.015 0.000 2.647 157 I HA 0.400 4.571 4.170 0.001 0.000 0.295 157 I C -0.475 175.625 176.117 -0.030 0.000 1.078 157 I CA -1.069 60.227 61.300 -0.007 0.000 1.048 157 I CB 2.246 40.224 38.000 -0.037 0.000 1.239 157 I HN 0.017 nan 8.210 nan 0.000 0.421 158 D N 5.571 125.950 120.400 -0.035 0.000 2.383 158 D HA 0.313 4.954 4.640 0.001 0.000 0.252 158 D C -0.321 175.930 176.300 -0.081 0.000 1.166 158 D CA 0.163 54.133 54.000 -0.050 0.000 0.879 158 D CB 2.397 43.167 40.800 -0.049 0.000 1.164 158 D HN 0.275 nan 8.370 nan 0.000 0.462 159 V N 3.405 123.274 119.914 -0.074 0.000 2.680 159 V HA 0.415 4.536 4.120 0.001 0.000 0.309 159 V C 0.341 176.396 176.094 -0.066 0.000 1.052 159 V CA -0.998 61.251 62.300 -0.084 0.000 0.908 159 V CB 2.099 33.886 31.823 -0.060 0.000 1.001 159 V HN 0.384 nan 8.190 nan 0.000 0.431 160 I N 0.059 120.593 120.570 -0.061 0.000 2.378 160 I HA 0.553 4.723 4.170 0.001 0.000 0.291 160 I C -0.364 175.736 176.117 -0.029 0.000 0.992 160 I CA -0.330 60.940 61.300 -0.049 0.000 1.154 160 I CB 1.591 39.556 38.000 -0.059 0.000 1.315 160 I HN 0.529 nan 8.210 nan 0.000 0.448 161 D N 6.183 126.564 120.400 -0.032 0.000 2.359 161 D HA 0.078 4.718 4.640 0.001 0.000 0.250 161 D C 0.994 177.297 176.300 0.004 0.000 1.264 161 D CA -0.102 53.883 54.000 -0.024 0.000 0.911 161 D CB 1.606 42.385 40.800 -0.035 0.000 1.056 161 D HN 0.546 nan 8.370 nan 0.000 0.499 162 V N 3.629 123.563 119.914 0.033 0.000 3.440 162 V HA -0.134 3.986 4.120 0.001 0.000 0.274 162 V C 1.696 177.832 176.094 0.071 0.000 1.207 162 V CA 1.139 63.481 62.300 0.069 0.000 1.183 162 V CB -0.892 30.997 31.823 0.108 0.000 0.837 162 V HN 0.549 nan 8.190 nan 0.000 0.532 163 T N 0.918 115.496 114.554 0.040 0.000 3.722 163 T HA 0.041 4.391 4.350 0.001 0.000 0.247 163 T C 1.050 175.756 174.700 0.009 0.000 1.004 163 T CA -0.184 61.931 62.100 0.025 0.000 0.947 163 T CB -0.689 68.186 68.868 0.012 0.000 1.114 163 T HN 0.291 nan 8.240 nan 0.000 0.633 164 R N 1.500 122.018 120.500 0.030 0.000 3.121 164 R HA -0.248 4.092 4.340 0.001 0.000 0.233 164 R C 1.206 177.498 176.300 -0.014 0.000 0.884 164 R CA 0.893 57.006 56.100 0.021 0.000 0.600 164 R CB -1.571 28.746 30.300 0.028 0.000 1.023 164 R HN 0.807 nan 8.270 nan 0.000 0.482 165 Q N -2.085 117.704 119.800 -0.018 0.000 2.619 165 Q HA 0.523 4.863 4.340 0.001 0.000 0.195 165 Q C 0.315 176.292 176.000 -0.038 0.000 0.910 165 Q CA 0.194 55.979 55.803 -0.030 0.000 0.862 165 Q CB 0.414 29.137 28.738 -0.025 0.000 1.123 165 Q HN 0.205 nan 8.270 nan 0.000 0.636 166 A N 0.617 123.415 122.820 -0.036 0.000 2.423 166 A HA 0.611 4.932 4.320 0.001 0.000 0.304 166 A C -1.641 175.915 177.584 -0.045 0.000 1.104 166 A CA -0.696 51.316 52.037 -0.042 0.000 0.757 166 A CB 1.652 20.629 19.000 -0.038 0.000 1.313 166 A HN 0.256 nan 8.150 nan 0.000 0.423 167 D N -0.408 119.963 120.400 -0.050 0.000 2.217 167 D HA 0.673 5.314 4.640 0.001 0.000 0.248 167 D C -0.298 175.975 176.300 -0.044 0.000 1.008 167 D CA 0.280 54.248 54.000 -0.052 0.000 0.914 167 D CB 1.491 42.255 40.800 -0.059 0.000 1.182 167 D HN 0.953 nan 8.370 nan 0.000 0.451 168 C N -0.721 118.554 119.300 -0.042 0.000 3.292 168 C HA 0.586 5.047 4.460 0.001 0.000 0.338 168 C C -1.269 173.704 174.990 -0.029 0.000 1.323 168 C CA -1.180 57.818 59.018 -0.033 0.000 1.232 168 C CB 1.307 29.030 27.740 -0.029 0.000 1.517 168 C HN 0.370 nan 8.230 nan 0.000 0.470 169 K N 1.294 121.683 120.400 -0.019 0.000 2.098 169 K HA 0.732 5.052 4.320 0.001 0.000 0.261 169 K C -0.590 176.012 176.600 0.002 0.000 0.987 169 K CA -0.166 56.115 56.287 -0.010 0.000 0.916 169 K CB 1.282 33.779 32.500 -0.004 0.000 1.039 169 K HN 0.826 nan 8.250 nan 0.000 0.455 170 M N 1.332 120.940 119.600 0.014 0.000 2.413 170 M HA 0.228 4.708 4.480 0.001 0.000 0.287 170 M C -0.910 175.423 176.300 0.054 0.000 1.186 170 M CA -0.685 54.639 55.300 0.040 0.000 0.927 170 M CB 2.802 35.438 32.600 0.060 0.000 1.715 170 M HN 0.338 nan 8.290 nan 0.000 0.478 171 K N 1.431 121.872 120.400 0.068 0.000 2.350 171 K HA 0.089 4.409 4.320 0.001 0.000 0.279 171 K C 0.925 177.597 176.600 0.120 0.000 1.027 171 K CA -0.345 55.989 56.287 0.078 0.000 0.969 171 K CB 1.063 33.605 32.500 0.070 0.000 0.954 171 K HN 0.445 nan 8.250 nan 0.000 0.474 172 L N 4.163 125.456 121.223 0.116 0.000 2.051 172 L HA -0.173 4.168 4.340 0.001 0.000 0.214 172 L C 1.916 178.917 176.870 0.219 0.000 1.076 172 L CA 2.353 57.291 54.840 0.163 0.000 0.758 172 L CB -1.003 41.132 42.059 0.127 0.000 0.890 172 L HN 0.930 nan 8.230 nan 0.000 0.433 173 G N -1.436 107.458 108.800 0.157 0.000 2.432 173 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 173 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 173 G C 1.292 176.286 174.900 0.157 0.000 1.135 173 G CA 0.817 46.004 45.100 0.145 0.000 0.767 173 G HN 0.446 nan 8.290 nan 0.000 0.550 174 D N -0.200 120.294 120.400 0.157 0.000 2.144 174 D HA -0.072 4.569 4.640 0.001 0.000 0.200 174 D C 1.914 178.343 176.300 0.215 0.000 0.978 174 D CA 0.358 54.450 54.000 0.153 0.000 0.833 174 D CB -0.264 40.608 40.800 0.120 0.000 0.961 174 D HN 0.331 nan 8.370 nan 0.000 0.470 175 F N 1.457 121.483 119.950 0.127 0.000 2.113 175 F HA -0.186 4.342 4.527 0.000 0.000 0.297 175 F C 2.141 178.090 175.800 0.248 0.000 1.103 175 F CA 0.930 59.042 58.000 0.187 0.000 1.248 175 F CB -0.321 38.755 39.000 0.128 0.000 0.999 175 F HN -0.238 nan 8.300 nan 0.000 0.475 176 V N 1.168 121.194 119.914 0.186 0.000 2.282 176 V HA -0.375 3.745 4.120 0.001 0.000 0.249 176 V C 2.536 178.713 176.094 0.138 0.000 1.057 176 V CA 2.423 64.801 62.300 0.130 0.000 1.032 176 V CB -0.882 31.084 31.823 0.240 0.000 0.645 176 V HN 0.369 nan 8.190 nan 0.000 0.447 177 K N -0.631 119.850 120.400 0.135 0.000 2.020 177 K HA -0.288 4.033 4.320 0.001 0.000 0.212 177 K C 2.294 178.934 176.600 0.066 0.000 1.050 177 K CA 2.416 58.773 56.287 0.115 0.000 0.929 177 K CB -0.501 32.063 32.500 0.105 0.000 0.714 177 K HN 0.549 nan 8.250 nan 0.000 0.443 178 Y N 0.240 120.490 120.300 -0.084 0.000 2.128 178 Y HA -0.337 4.214 4.550 0.001 0.000 0.284 178 Y C 2.085 177.846 175.900 -0.232 0.000 1.154 178 Y CA 2.048 60.063 58.100 -0.142 0.000 1.149 178 Y CB -0.835 37.540 38.460 -0.143 0.000 0.976 178 Y HN 0.257 nan 8.280 nan 0.000 0.505 179 Y N -0.181 119.671 120.300 -0.746 0.000 2.049 179 Y HA -0.357 4.194 4.550 0.001 0.000 0.277 179 Y C 2.091 177.592 175.900 -0.665 0.000 1.143 179 Y CA 2.466 60.014 58.100 -0.919 0.000 1.115 179 Y CB -1.143 36.731 38.460 -0.977 0.000 0.975 179 Y HN 0.201 nan 8.280 nan 0.000 0.487 180 Y N 0.144 120.354 120.300 -0.150 0.000 2.509 180 Y HA -0.147 4.403 4.550 0.001 0.000 0.293 180 Y C 2.894 178.669 175.900 -0.208 0.000 1.133 180 Y CA 1.110 59.119 58.100 -0.152 0.000 1.283 180 Y CB -0.808 37.649 38.460 -0.006 0.000 1.001 180 Y HN 0.318 nan 8.280 nan 0.000 0.555 181 S N -0.755 114.876 115.700 -0.116 0.000 2.399 181 S HA -0.081 4.389 4.470 0.001 0.000 0.231 181 S C 2.239 176.730 174.600 -0.183 0.000 1.022 181 S CA 1.166 59.297 58.200 -0.114 0.000 0.983 181 S CB -0.832 62.312 63.200 -0.093 0.000 0.803 181 S HN 0.651 nan 8.310 nan 0.000 0.480 182 G N 0.311 108.909 108.800 -0.338 0.000 2.212 182 G HA2 -0.205 3.755 3.960 0.001 0.000 0.266 182 G HA3 -0.205 3.755 3.960 0.001 0.000 0.266 182 G C 0.275 175.025 174.900 -0.249 0.000 0.978 182 G CA 0.711 45.620 45.100 -0.318 0.000 0.632 182 G HN 1.287 nan 8.290 nan 0.000 0.537 183 K N 0.177 120.452 120.400 -0.209 0.000 2.338 183 K HA 0.728 5.048 4.320 0.001 0.000 0.290 183 K C 0.706 177.275 176.600 -0.053 0.000 1.069 183 K CA 0.359 56.591 56.287 -0.092 0.000 0.941 183 K CB 0.327 32.816 32.500 -0.017 0.000 1.023 183 K HN 0.371 nan 8.250 nan 0.000 0.477 184 R N 1.823 122.313 120.500 -0.017 0.000 2.633 184 R HA 0.191 4.532 4.340 0.001 0.000 0.348 184 R C 2.068 178.422 176.300 0.090 0.000 1.100 184 R CA 0.818 56.948 56.100 0.051 0.000 1.068 184 R CB 0.141 30.434 30.300 -0.012 0.000 1.351 184 R HN 0.904 nan 8.270 nan 0.000 0.575 185 E N -0.020 120.234 120.200 0.089 0.000 2.110 185 E HA -0.107 4.243 4.350 0.001 0.000 0.193 185 E C 0.392 177.038 176.600 0.076 0.000 0.988 185 E CA 1.347 57.787 56.400 0.067 0.000 0.804 185 E CB -0.180 29.551 29.700 0.053 0.000 0.745 185 E HN 0.156 nan 8.360 nan 0.000 0.458 186 K N -0.507 119.960 120.400 0.111 0.000 2.182 186 K HA 0.652 4.973 4.320 0.001 0.000 0.262 186 K C -0.623 176.059 176.600 0.137 0.000 0.957 186 K CA -0.410 55.916 56.287 0.065 0.000 0.842 186 K CB 1.848 34.331 32.500 -0.027 0.000 1.099 186 K HN 0.220 nan 8.250 nan 0.000 0.438 187 V N 3.753 123.729 119.914 0.103 0.000 2.318 187 V HA 0.332 4.452 4.120 0.001 0.000 0.271 187 V C -0.342 175.822 176.094 0.116 0.000 1.030 187 V CA -0.586 61.815 62.300 0.168 0.000 0.844 187 V CB 0.068 31.971 31.823 0.133 0.000 1.015 187 V HN 0.625 nan 8.190 nan 0.000 0.460 188 L N 4.574 125.889 121.223 0.154 0.000 2.307 188 L HA 0.603 4.944 4.340 0.001 0.000 0.284 188 L C -0.155 176.879 176.870 0.274 0.000 1.023 188 L CA -0.382 54.503 54.840 0.074 0.000 0.810 188 L CB 1.645 43.560 42.059 -0.240 0.000 1.231 188 L HN 0.481 nan 8.230 nan 0.000 0.423 189 N N 2.003 120.781 118.700 0.130 0.000 2.354 189 N HA 0.455 5.196 4.740 0.001 0.000 0.287 189 N C -1.344 174.135 175.510 -0.051 0.000 1.016 189 N CA -0.364 52.734 53.050 0.081 0.000 0.871 189 N CB 2.253 40.759 38.487 0.031 0.000 1.299 189 N HN 0.216 nan 8.380 nan 0.000 0.482 190 V N 5.723 125.555 119.914 -0.136 0.000 2.334 190 V HA 0.345 4.465 4.120 0.001 0.000 0.281 190 V C 1.087 177.098 176.094 -0.139 0.000 1.016 190 V CA -0.476 61.678 62.300 -0.244 0.000 0.832 190 V CB 0.742 32.241 31.823 -0.540 0.000 0.999 190 V HN 0.748 nan 8.190 nan 0.000 0.439 191 I N 1.929 122.432 120.570 -0.111 0.000 4.338 191 I HA 0.318 4.488 4.170 0.001 0.000 0.329 191 I C 0.854 176.907 176.117 -0.107 0.000 1.378 191 I CA 0.193 61.438 61.300 -0.091 0.000 1.170 191 I CB 1.033 38.966 38.000 -0.112 0.000 1.206 191 I HN 0.540 nan 8.210 nan 0.000 0.432 192 S N 1.091 116.746 115.700 -0.075 0.000 2.902 192 S HA 0.321 4.792 4.470 0.001 0.000 0.250 192 S C -0.094 174.659 174.600 0.254 0.000 1.046 192 S CA -0.474 57.685 58.200 -0.069 0.000 1.069 192 S CB 0.028 63.139 63.200 -0.148 0.000 0.967 192 S HN 0.248 nan 8.310 nan 0.000 0.530 193 L N 3.289 124.668 121.223 0.261 0.000 2.536 193 L HA 0.421 4.762 4.340 0.001 0.000 0.282 193 L C 0.177 177.302 176.870 0.425 0.000 1.174 193 L CA 0.481 55.485 54.840 0.274 0.000 0.989 193 L CB -0.426 41.741 42.059 0.179 0.000 1.311 193 L HN 0.302 nan 8.230 nan 0.000 0.455 194 E N 4.554 124.930 120.200 0.293 0.000 2.223 194 E HA 0.036 4.386 4.350 0.001 0.000 0.282 194 E C -0.132 176.505 176.600 0.061 0.000 1.046 194 E CA -0.131 56.270 56.400 0.002 0.000 0.857 194 E CB 0.475 30.065 29.700 -0.183 0.000 1.055 194 E HN 0.580 nan 8.360 nan 0.000 0.409 195 F N 1.716 121.666 119.950 0.001 0.000 2.654 195 F HA 0.324 4.852 4.527 0.000 0.000 0.303 195 F C 1.372 177.174 175.800 0.005 0.000 1.099 195 F CA -0.581 57.442 58.000 0.038 0.000 1.270 195 F CB 0.135 39.196 39.000 0.101 0.000 1.024 195 F HN 0.140 nan 8.300 nan 0.000 0.548 196 S N 0.626 116.143 115.700 -0.304 0.000 2.402 196 S HA -0.190 4.281 4.470 0.001 0.000 0.233 196 S C 0.905 175.471 174.600 -0.058 0.000 1.030 196 S CA 1.846 59.909 58.200 -0.228 0.000 1.003 196 S CB -0.337 62.717 63.200 -0.245 0.000 0.813 196 S HN 0.482 nan 8.310 nan 0.000 0.477 197 D N 1.354 121.748 120.400 -0.010 0.000 2.491 197 D HA 0.147 4.787 4.640 0.001 0.000 0.228 197 D C 0.616 176.954 176.300 0.063 0.000 1.183 197 D CA 0.162 54.173 54.000 0.018 0.000 0.827 197 D CB 0.242 41.045 40.800 0.006 0.000 0.989 197 D HN 0.495 nan 8.370 nan 0.000 0.494 198 T N -3.736 110.888 114.554 0.116 0.000 2.907 198 T HA 0.387 4.738 4.350 0.001 0.000 0.290 198 T C 1.183 175.981 174.700 0.163 0.000 1.066 198 T CA -0.793 61.394 62.100 0.145 0.000 1.012 198 T CB 2.447 71.434 68.868 0.199 0.000 1.184 198 T HN -0.242 nan 8.240 nan 0.000 0.522 199 R N -0.543 120.055 120.500 0.164 0.000 2.159 199 R HA -0.025 4.316 4.340 0.001 0.000 0.237 199 R C 2.048 178.480 176.300 0.221 0.000 1.131 199 R CA 0.840 57.061 56.100 0.202 0.000 0.982 199 R CB -0.685 29.759 30.300 0.241 0.000 0.868 199 R HN 0.480 nan 8.270 nan 0.000 0.453 200 L N 0.790 122.155 121.223 0.236 0.000 2.189 200 L HA -0.190 4.150 4.340 0.001 0.000 0.214 200 L C 2.230 179.181 176.870 0.136 0.000 1.097 200 L CA 1.662 56.537 54.840 0.060 0.000 0.764 200 L CB -0.649 41.383 42.059 -0.045 0.000 0.900 200 L HN 0.027 nan 8.230 nan 0.000 0.436 201 S N -0.481 115.410 115.700 0.317 0.000 2.399 201 S HA -0.176 4.294 4.470 0.001 0.000 0.231 201 S C 1.772 176.424 174.600 0.086 0.000 1.022 201 S CA 1.423 59.780 58.200 0.261 0.000 0.983 201 S CB -0.387 62.880 63.200 0.112 0.000 0.803 201 S HN 0.648 nan 8.310 nan 0.000 0.480 202 N N 0.986 119.709 118.700 0.038 0.000 2.381 202 N HA -0.003 4.737 4.740 0.001 0.000 0.182 202 N C 1.049 176.510 175.510 -0.082 0.000 1.025 202 N CA 0.675 53.717 53.050 -0.014 0.000 0.888 202 N CB -0.355 38.140 38.487 0.012 0.000 0.965 202 N HN 0.335 nan 8.380 nan 0.000 0.438 203 L N -0.155 120.973 121.223 -0.159 0.000 2.529 203 L HA 0.161 4.501 4.340 0.001 0.000 0.223 203 L C 0.138 176.828 176.870 -0.299 0.000 1.113 203 L CA 0.346 55.020 54.840 -0.277 0.000 0.861 203 L CB 0.220 41.988 42.059 -0.485 0.000 1.012 203 L HN -0.204 nan 8.230 nan 0.000 0.461 204 V N -0.385 119.403 119.914 -0.209 0.000 2.483 204 V HA 0.438 4.559 4.120 0.001 0.000 0.297 204 V C -0.508 175.514 176.094 -0.119 0.000 1.027 204 V CA -0.765 61.400 62.300 -0.224 0.000 0.855 204 V CB 2.168 33.851 31.823 -0.234 0.000 0.995 204 V HN 0.002 nan 8.190 nan 0.000 0.424 205 E N 3.105 123.213 120.200 -0.154 0.000 2.183 205 E HA 0.601 4.951 4.350 0.001 0.000 0.271 205 E C 0.103 176.579 176.600 -0.207 0.000 0.919 205 E CA -0.370 55.943 56.400 -0.146 0.000 0.781 205 E CB 1.762 31.377 29.700 -0.142 0.000 1.140 205 E HN 0.849 nan 8.360 nan 0.000 0.402 206 T N 1.643 116.059 114.554 -0.229 0.000 2.828 206 T HA 0.502 4.852 4.350 0.001 0.000 0.290 206 T C -2.221 172.143 174.700 -0.560 0.000 1.019 206 T CA -1.797 60.015 62.100 -0.481 0.000 1.031 206 T CB 0.825 69.500 68.868 -0.323 0.000 1.001 206 T HN 0.244 nan 8.240 nan 0.000 0.531 207 P HA 0.185 nan 4.420 nan 0.000 0.265 207 P C 0.486 177.554 177.300 -0.388 0.000 1.193 207 P CA -0.347 62.447 63.100 -0.509 0.000 0.765 207 P CB 0.511 31.946 31.700 -0.441 0.000 0.823 208 K N 3.838 124.069 120.400 -0.281 0.000 2.103 208 K HA -0.176 4.145 4.320 0.001 0.000 0.207 208 K C 1.571 178.023 176.600 -0.248 0.000 1.048 208 K CA 1.531 57.680 56.287 -0.229 0.000 0.930 208 K CB -1.224 31.167 32.500 -0.182 0.000 0.716 208 K HN 0.337 nan 8.250 nan 0.000 0.444 209 I N -0.162 120.234 120.570 -0.290 0.000 2.286 209 I HA -0.198 3.973 4.170 0.001 0.000 0.248 209 I C 1.679 177.570 176.117 -0.377 0.000 1.115 209 I CA 1.120 62.227 61.300 -0.323 0.000 1.392 209 I CB -0.148 37.599 38.000 -0.422 0.000 1.065 209 I HN -0.003 nan 8.210 nan 0.000 0.418 210 V N 0.872 120.502 119.914 -0.473 0.000 2.307 210 V HA -0.257 3.863 4.120 0.001 0.000 0.245 210 V C 2.636 178.482 176.094 -0.414 0.000 1.045 210 V CA 2.111 63.995 62.300 -0.693 0.000 1.024 210 V CB -0.832 30.535 31.823 -0.760 0.000 0.651 210 V HN 0.380 nan 8.190 nan 0.000 0.449 211 R N -0.179 120.150 120.500 -0.285 0.000 2.120 211 R HA -0.116 4.224 4.340 0.001 0.000 0.234 211 R C 2.396 178.636 176.300 -0.100 0.000 1.123 211 R CA 0.962 56.968 56.100 -0.158 0.000 0.975 211 R CB -0.214 29.999 30.300 -0.146 0.000 0.866 211 R HN 0.381 nan 8.270 nan 0.000 0.446 212 K N 0.574 120.900 120.400 -0.124 0.000 2.103 212 K HA -0.028 4.292 4.320 0.001 0.000 0.204 212 K C 2.062 178.659 176.600 -0.006 0.000 1.052 212 K CA 1.001 57.250 56.287 -0.064 0.000 0.945 212 K CB -0.036 32.413 32.500 -0.084 0.000 0.722 212 K HN 0.227 nan 8.250 nan 0.000 0.443 213 L N 0.785 121.985 121.223 -0.038 0.000 2.209 213 L HA 0.018 4.359 4.340 0.001 0.000 0.207 213 L C 1.309 178.323 176.870 0.241 0.000 1.094 213 L CA -0.012 54.884 54.840 0.093 0.000 0.790 213 L CB -0.238 41.850 42.059 0.048 0.000 0.932 213 L HN -0.030 nan 8.230 nan 0.000 0.447 214 S N -0.403 115.396 115.700 0.166 0.000 2.575 214 S HA -0.123 4.347 4.470 0.001 0.000 0.295 214 S C 0.848 175.706 174.600 0.431 0.000 1.267 214 S CA -0.356 58.029 58.200 0.309 0.000 1.074 214 S CB 0.252 63.575 63.200 0.206 0.000 0.829 214 S HN 0.208 nan 8.310 nan 0.000 0.497 215 W N 4.161 125.617 121.300 0.259 0.000 2.355 215 W HA -0.079 4.582 4.660 0.000 0.000 0.309 215 W C 2.331 178.987 176.519 0.229 0.000 1.206 215 W CA 0.612 58.084 57.345 0.211 0.000 1.284 215 W CB -1.481 28.105 29.460 0.210 0.000 1.145 215 W HN 0.607 nan 8.180 nan 0.000 0.502 216 V N 0.159 120.378 119.914 0.509 0.000 2.343 216 V HA -0.282 3.839 4.120 0.001 0.000 0.247 216 V C 2.131 178.355 176.094 0.217 0.000 1.051 216 V CA 2.349 64.850 62.300 0.334 0.000 1.036 216 V CB -0.888 31.026 31.823 0.152 0.000 0.654 216 V HN 0.096 nan 8.190 nan 0.000 0.451 217 E N 0.555 120.867 120.200 0.187 0.000 2.110 217 E HA -0.181 4.169 4.350 0.001 0.000 0.193 217 E C 1.923 178.582 176.600 0.098 0.000 0.988 217 E CA 1.750 58.214 56.400 0.107 0.000 0.804 217 E CB -0.074 29.673 29.700 0.078 0.000 0.745 217 E HN 0.636 nan 8.360 nan 0.000 0.458 218 N N -1.053 117.721 118.700 0.122 0.000 2.407 218 N HA 0.103 4.844 4.740 0.001 0.000 0.182 218 N C 1.028 176.535 175.510 -0.005 0.000 1.079 218 N CA 0.385 53.467 53.050 0.053 0.000 0.882 218 N CB 0.740 39.256 38.487 0.049 0.000 1.106 218 N HN 0.214 nan 8.380 nan 0.000 0.461 219 L N -0.886 120.355 121.223 0.029 0.000 2.920 219 L HA 0.292 4.633 4.340 0.001 0.000 0.257 219 L C 0.076 176.911 176.870 -0.059 0.000 1.150 219 L CA -0.249 54.531 54.840 -0.101 0.000 0.959 219 L CB 0.827 42.745 42.059 -0.234 0.000 1.321 219 L HN 0.159 nan 8.230 nan 0.000 0.555 220 W N 5.027 126.259 121.300 -0.113 0.000 2.437 220 W HA 0.277 4.937 4.660 0.000 0.000 0.312 220 W C -2.367 174.018 176.519 -0.223 0.000 1.242 220 W CA -1.695 55.558 57.345 -0.153 0.000 1.340 220 W CB 0.648 30.096 29.460 -0.021 0.000 1.327 220 W HN -0.096 nan 8.180 nan 0.000 0.476 221 P HA 0.133 nan 4.420 nan 0.000 0.271 221 P C 0.806 178.009 177.300 -0.161 0.000 1.216 221 P CA 0.516 63.375 63.100 -0.402 0.000 0.776 221 P CB 0.584 31.882 31.700 -0.670 0.000 0.881 222 E N 1.953 122.126 120.200 -0.043 0.000 2.118 222 E HA -0.235 4.115 4.350 0.001 0.000 0.195 222 E C 2.011 178.619 176.600 0.014 0.000 0.992 222 E CA 2.183 58.601 56.400 0.030 0.000 0.804 222 E CB -1.633 28.076 29.700 0.016 0.000 0.741 222 E HN 0.665 nan 8.360 nan 0.000 0.458 223 E N -0.569 119.606 120.200 -0.042 0.000 2.274 223 E HA 0.072 4.422 4.350 0.001 0.000 0.194 223 E C 1.537 178.135 176.600 -0.004 0.000 0.996 223 E CA 0.462 56.849 56.400 -0.021 0.000 0.840 223 E CB -1.522 28.160 29.700 -0.032 0.000 0.772 223 E HN 0.779 nan 8.360 nan 0.000 0.491 224 C N 1.050 120.314 119.300 -0.059 0.000 2.502 224 C HA 0.207 4.668 4.460 0.001 0.000 0.404 224 C C 1.830 176.902 174.990 0.136 0.000 1.409 224 C CA 0.521 59.542 59.018 0.005 0.000 1.648 224 C CB -0.433 27.125 27.740 -0.304 0.000 2.571 224 C HN 0.814 nan 8.230 nan 0.000 0.601 225 V N 3.842 123.850 119.914 0.156 0.000 3.376 225 V HA 0.388 4.509 4.120 0.001 0.000 0.313 225 V C 0.310 176.439 176.094 0.059 0.000 1.393 225 V CA -0.159 62.188 62.300 0.079 0.000 1.125 225 V CB -1.430 30.374 31.823 -0.032 0.000 1.037 225 V HN 0.681 nan 8.190 nan 0.000 0.440 226 F N 1.594 121.645 119.950 0.169 0.000 2.382 226 F HA 0.403 4.930 4.527 0.001 0.000 0.331 226 F C 1.013 177.036 175.800 0.372 0.000 1.121 226 F CA -0.353 57.798 58.000 0.252 0.000 1.183 226 F CB 0.642 39.806 39.000 0.275 0.000 1.207 226 F HN 0.120 nan 8.300 nan 0.000 0.555 227 E N 2.835 123.292 120.200 0.429 0.000 2.417 227 E HA -0.014 4.336 4.350 0.001 0.000 0.261 227 E C -0.125 176.594 176.600 0.198 0.000 1.000 227 E CA -0.375 56.183 56.400 0.263 0.000 0.919 227 E CB 0.502 30.293 29.700 0.153 0.000 0.955 227 E HN 0.444 nan 8.360 nan 0.000 0.455 228 R N 5.553 126.020 120.500 -0.055 0.000 2.298 228 R HA 0.217 4.558 4.340 0.001 0.000 0.310 228 R C -2.215 173.734 176.300 -0.585 0.000 1.068 228 R CA -1.728 53.956 56.100 -0.694 0.000 0.957 228 R CB 0.513 30.417 30.300 -0.660 0.000 1.003 228 R HN 0.388 nan 8.270 nan 0.000 0.454 229 P HA -0.022 nan 4.420 nan 0.000 0.264 229 P C -1.051 176.000 177.300 -0.416 0.000 1.183 229 P CA 0.215 62.929 63.100 -0.643 0.000 0.763 229 P CB 0.458 31.394 31.700 -1.274 0.000 0.807 230 N N 2.643 121.194 118.700 -0.247 0.000 2.841 230 N HA 0.252 4.993 4.740 0.001 0.000 0.257 230 N C -0.538 174.885 175.510 -0.146 0.000 1.396 230 N CA -0.486 52.454 53.050 -0.184 0.000 0.823 230 N CB 0.068 38.458 38.487 -0.161 0.000 1.162 230 N HN 0.083 nan 8.380 nan 0.000 0.503 231 V N -0.289 119.578 119.914 -0.078 0.000 3.070 231 V HA 0.316 4.436 4.120 0.001 0.000 0.355 231 V C 0.748 176.807 176.094 -0.058 0.000 1.400 231 V CA -0.165 62.126 62.300 -0.016 0.000 1.170 231 V CB 0.079 32.189 31.823 0.478 0.000 1.169 231 V HN 0.290 nan 8.190 nan 0.000 0.554 232 Q N 1.232 120.948 119.800 -0.142 0.000 2.302 232 Q HA 0.300 4.641 4.340 0.001 0.000 0.202 232 Q C 0.069 176.016 176.000 -0.088 0.000 0.936 232 Q CA 0.748 56.542 55.803 -0.016 0.000 0.886 232 Q CB 0.388 29.116 28.738 -0.016 0.000 0.986 232 Q HN 0.642 nan 8.270 nan 0.000 0.487 233 K N 0.455 120.599 120.400 -0.427 0.000 2.640 233 K HA 0.332 4.652 4.320 0.001 0.000 0.245 233 K C -1.766 174.441 176.600 -0.655 0.000 0.962 233 K CA -0.327 55.626 56.287 -0.556 0.000 0.896 233 K CB 1.385 33.260 32.500 -1.041 0.000 1.147 233 K HN -0.100 nan 8.250 nan 0.000 0.445 234 Y N 0.496 120.831 120.300 0.058 0.000 2.409 234 Y HA 0.366 4.916 4.550 0.001 0.000 0.339 234 Y C 0.086 176.362 175.900 0.627 0.000 1.033 234 Y CA -1.021 57.247 58.100 0.281 0.000 1.094 234 Y CB 1.624 40.184 38.460 0.168 0.000 1.210 234 Y HN 0.527 nan 8.280 nan 0.000 0.456 235 C N 5.151 124.908 119.300 0.762 0.000 2.329 235 C HA 0.845 5.305 4.460 0.001 0.000 0.329 235 C C -1.133 173.952 174.990 0.157 0.000 1.275 235 C CA -0.776 58.487 59.018 0.408 0.000 1.726 235 C CB -1.161 26.729 27.740 0.250 0.000 2.291 235 C HN 0.697 nan 8.230 nan 0.000 0.514 236 L N 6.771 127.988 121.223 -0.010 0.000 2.341 236 L HA 0.689 5.030 4.340 0.001 0.000 0.278 236 L C -0.060 176.751 176.870 -0.098 0.000 1.005 236 L CA -0.058 54.756 54.840 -0.044 0.000 0.818 236 L CB 1.581 43.619 42.059 -0.036 0.000 1.259 236 L HN 0.632 nan 8.230 nan 0.000 0.418 237 M N 2.602 122.155 119.600 -0.079 0.000 2.106 237 M HA 0.480 4.960 4.480 0.001 0.000 0.288 237 M C -1.065 175.294 176.300 0.098 0.000 0.941 237 M CA -0.154 55.135 55.300 -0.018 0.000 0.934 237 M CB 1.933 34.521 32.600 -0.019 0.000 1.551 237 M HN 0.472 nan 8.290 nan 0.000 0.437 238 S N 2.357 118.128 115.700 0.118 0.000 2.707 238 S HA 0.534 5.005 4.470 0.001 0.000 0.303 238 S C -0.030 174.679 174.600 0.181 0.000 1.132 238 S CA -0.961 57.322 58.200 0.137 0.000 1.046 238 S CB 1.504 64.723 63.200 0.032 0.000 1.004 238 S HN 0.560 nan 8.310 nan 0.000 0.483 239 V N 1.282 121.335 119.914 0.233 0.000 3.051 239 V HA 0.438 4.558 4.120 0.001 0.000 0.306 239 V C 0.821 176.968 176.094 0.088 0.000 1.083 239 V CA -1.041 61.346 62.300 0.145 0.000 1.104 239 V CB 0.128 32.010 31.823 0.099 0.000 1.027 239 V HN 0.959 nan 8.190 nan 0.000 0.483 240 R N 1.692 122.215 120.500 0.039 0.000 2.566 240 R HA -0.047 4.294 4.340 0.001 0.000 0.273 240 R C 0.172 176.508 176.300 0.059 0.000 0.981 240 R CA 1.077 57.199 56.100 0.036 0.000 1.091 240 R CB -0.394 29.909 30.300 0.005 0.000 0.924 240 R HN 1.031 nan 8.270 nan 0.000 0.411 241 D N 0.744 121.188 120.400 0.074 0.000 3.006 241 D HA -0.150 4.490 4.640 0.001 0.000 0.205 241 D C -0.731 175.653 176.300 0.141 0.000 1.075 241 D CA 1.384 55.445 54.000 0.101 0.000 1.000 241 D CB -1.237 39.612 40.800 0.081 0.000 1.097 241 D HN 0.534 nan 8.370 nan 0.000 0.426 242 S N -0.198 115.580 115.700 0.130 0.000 2.560 242 S HA 0.266 4.737 4.470 0.001 0.000 0.284 242 S C -0.181 174.539 174.600 0.201 0.000 1.327 242 S CA -0.010 58.274 58.200 0.139 0.000 1.055 242 S CB 0.824 64.078 63.200 0.089 0.000 0.868 242 S HN 0.321 nan 8.310 nan 0.000 0.506 243 Y N 1.425 121.764 120.300 0.064 0.000 2.421 243 Y HA 0.390 4.941 4.550 0.001 0.000 0.339 243 Y C -0.671 175.250 175.900 0.036 0.000 0.996 243 Y CA -0.535 57.615 58.100 0.083 0.000 1.046 243 Y CB 1.462 40.038 38.460 0.193 0.000 1.226 243 Y HN 0.552 nan 8.280 nan 0.000 0.445 244 T N 5.714 119.885 114.554 -0.639 0.000 2.779 244 T HA 0.192 4.543 4.350 0.001 0.000 0.280 244 T C -0.885 173.279 174.700 -0.893 0.000 0.987 244 T CA -0.588 61.184 62.100 -0.548 0.000 0.966 244 T CB 0.935 69.601 68.868 -0.337 0.000 0.933 244 T HN 0.566 nan 8.240 nan 0.000 0.442 245 D N 1.031 121.158 120.400 -0.454 0.000 2.360 245 D HA 0.206 4.846 4.640 0.001 0.000 0.242 245 D C -0.084 176.238 176.300 0.037 0.000 1.184 245 D CA -0.715 53.217 54.000 -0.114 0.000 0.930 245 D CB 0.395 41.398 40.800 0.337 0.000 1.161 245 D HN 0.298 nan 8.370 nan 0.000 0.447 246 F N 2.188 122.262 119.950 0.208 0.000 2.623 246 F HA 0.103 4.631 4.527 0.001 0.000 0.383 246 F C 1.119 177.113 175.800 0.323 0.000 1.077 246 F CA 0.833 58.894 58.000 0.102 0.000 1.268 246 F CB 0.122 39.041 39.000 -0.135 0.000 1.053 246 F HN 0.266 nan 8.300 nan 0.000 0.571 247 H N 2.032 121.158 119.070 0.093 0.000 2.981 247 H HA 0.555 5.111 4.556 0.001 0.000 0.327 247 H C -1.478 173.760 175.328 -0.151 0.000 1.342 247 H CA -1.229 54.898 56.048 0.132 0.000 1.123 247 H CB 0.911 30.717 29.762 0.073 0.000 1.851 247 H HN 0.461 nan 8.280 nan 0.000 0.531 248 I N 1.647 122.201 120.570 -0.027 0.000 2.392 248 I HA 0.092 4.263 4.170 0.001 0.000 0.295 248 I C -0.090 176.107 176.117 0.133 0.000 0.985 248 I CA -0.662 60.591 61.300 -0.079 0.000 1.221 248 I CB 1.318 39.277 38.000 -0.068 0.000 1.366 248 I HN 0.407 nan 8.210 nan 0.000 0.467 249 D N 5.825 126.294 120.400 0.116 0.000 2.443 249 D HA 0.059 4.700 4.640 0.001 0.000 0.239 249 D C -0.174 176.147 176.300 0.035 0.000 1.136 249 D CA 0.166 54.245 54.000 0.131 0.000 0.879 249 D CB 0.584 41.379 40.800 -0.009 0.000 1.195 249 D HN 0.214 nan 8.370 nan 0.000 0.443 250 F N -0.808 119.252 119.950 0.184 0.000 2.595 250 F HA 0.299 4.826 4.527 0.001 0.000 0.359 250 F C 1.524 177.421 175.800 0.163 0.000 1.147 250 F CA -0.513 57.593 58.000 0.176 0.000 1.341 250 F CB -0.083 39.041 39.000 0.205 0.000 1.104 250 F HN 0.478 nan 8.300 nan 0.000 0.603 251 G N 1.151 110.161 108.800 0.351 0.000 2.187 251 G HA2 0.061 4.021 3.960 0.001 0.000 0.261 251 G HA3 0.061 4.021 3.960 0.001 0.000 0.261 251 G C 1.094 175.973 174.900 -0.036 0.000 1.000 251 G CA 0.517 45.763 45.100 0.243 0.000 0.718 251 G HN 2.534 nan 8.290 nan 0.000 0.519 252 G N -1.322 107.446 108.800 -0.054 0.000 2.203 252 G HA2 0.032 3.992 3.960 0.001 0.000 0.263 252 G HA3 0.032 3.992 3.960 0.001 0.000 0.263 252 G C 0.830 175.605 174.900 -0.209 0.000 1.012 252 G CA 1.564 46.601 45.100 -0.105 0.000 0.749 252 G HN 2.434 nan 8.290 nan 0.000 0.512 253 T N -1.608 112.762 114.554 -0.307 0.000 2.860 253 T HA 0.641 4.991 4.350 0.001 0.000 0.299 253 T C 0.698 175.159 174.700 -0.398 0.000 1.045 253 T CA 0.292 62.147 62.100 -0.408 0.000 1.071 253 T CB 1.766 70.349 68.868 -0.475 0.000 0.985 253 T HN 0.426 nan 8.240 nan 0.000 0.537 254 S N 0.032 115.400 115.700 -0.553 0.000 2.687 254 S HA 0.708 5.179 4.470 0.001 0.000 0.283 254 S C -0.467 173.853 174.600 -0.468 0.000 1.170 254 S CA -0.828 57.041 58.200 -0.552 0.000 1.008 254 S CB 1.537 64.296 63.200 -0.735 0.000 1.026 254 S HN 0.868 nan 8.310 nan 0.000 0.541 255 V N 2.526 122.344 119.914 -0.161 0.000 2.971 255 V HA 0.758 4.878 4.120 0.001 0.000 0.309 255 V C -1.969 174.140 176.094 0.026 0.000 1.130 255 V CA -0.776 61.462 62.300 -0.104 0.000 0.964 255 V CB 1.836 33.459 31.823 -0.334 0.000 1.029 255 V HN 0.970 nan 8.190 nan 0.000 0.427 256 W N 4.866 126.045 121.300 -0.201 0.000 2.761 256 W HA 0.761 5.421 4.660 0.001 0.000 0.340 256 W C -2.547 173.655 176.519 -0.529 0.000 1.072 256 W CA -1.177 55.894 57.345 -0.458 0.000 1.215 256 W CB 1.182 30.329 29.460 -0.522 0.000 1.420 256 W HN 0.528 nan 8.180 nan 0.000 0.519 257 Y N 1.559 121.791 120.300 -0.114 0.000 2.406 257 Y HA 0.263 4.814 4.550 0.001 0.000 0.340 257 Y C -0.722 175.255 175.900 0.128 0.000 0.975 257 Y CA -1.040 57.014 58.100 -0.077 0.000 1.056 257 Y CB 1.974 40.422 38.460 -0.021 0.000 1.210 257 Y HN 0.607 nan 8.280 nan 0.000 0.448 258 H N 1.981 121.260 119.070 0.348 0.000 2.587 258 H HA 0.645 5.201 4.556 0.001 0.000 0.325 258 H C -1.453 174.021 175.328 0.244 0.000 1.012 258 H CA -0.686 55.554 56.048 0.319 0.000 1.213 258 H CB 0.975 31.002 29.762 0.442 0.000 1.431 258 H HN 0.471 nan 8.280 nan 0.000 0.492 259 V N 7.842 127.627 119.914 -0.216 0.000 2.405 259 V HA -0.042 4.078 4.120 0.001 0.000 0.264 259 V C 1.147 177.146 176.094 -0.159 0.000 1.048 259 V CA -0.016 62.209 62.300 -0.126 0.000 0.966 259 V CB 0.499 32.272 31.823 -0.082 0.000 1.015 259 V HN 0.786 nan 8.190 nan 0.000 0.477 260 L N 5.503 126.768 121.223 0.070 0.000 2.095 260 L HA 0.168 4.509 4.340 0.001 0.000 0.204 260 L C 1.061 177.994 176.870 0.105 0.000 1.080 260 L CA 1.559 56.511 54.840 0.187 0.000 0.759 260 L CB -0.110 42.094 42.059 0.241 0.000 0.914 260 L HN 0.773 nan 8.230 nan 0.000 0.439 261 K N -2.238 118.198 120.400 0.060 0.000 2.532 261 K HA 0.613 4.933 4.320 0.001 0.000 0.265 261 K C -0.049 176.571 176.600 0.034 0.000 0.948 261 K CA -0.412 55.909 56.287 0.057 0.000 0.842 261 K CB 1.495 34.044 32.500 0.082 0.000 1.392 261 K HN 0.139 nan 8.250 nan 0.000 0.436 262 G N 0.774 109.595 108.800 0.035 0.000 2.499 262 G HA2 -0.230 3.731 3.960 0.001 0.000 0.232 262 G HA3 -0.230 3.731 3.960 0.001 0.000 0.232 262 G C -1.094 173.817 174.900 0.017 0.000 1.251 262 G CA 0.332 45.449 45.100 0.029 0.000 0.917 262 G HN 1.051 nan 8.290 nan 0.000 0.580 263 E N -0.387 119.821 120.200 0.013 0.000 2.390 263 E HA 0.619 4.970 4.350 0.001 0.000 0.280 263 E C -1.315 175.284 176.600 -0.001 0.000 0.992 263 E CA -0.796 55.611 56.400 0.012 0.000 0.790 263 E CB 1.384 31.095 29.700 0.018 0.000 1.248 263 E HN 0.567 nan 8.360 nan 0.000 0.447 264 K N 2.688 123.093 120.400 0.009 0.000 2.371 264 K HA 0.539 4.860 4.320 0.001 0.000 0.251 264 K C -0.886 175.695 176.600 -0.031 0.000 0.934 264 K CA -0.666 55.590 56.287 -0.052 0.000 0.798 264 K CB 1.751 34.186 32.500 -0.109 0.000 1.204 264 K HN 0.385 nan 8.250 nan 0.000 0.427 265 I N 3.308 123.781 120.570 -0.161 0.000 2.355 265 I HA 0.315 4.486 4.170 0.001 0.000 0.288 265 I C -0.811 175.007 176.117 -0.498 0.000 0.999 265 I CA -0.640 60.525 61.300 -0.226 0.000 1.163 265 I CB 0.675 38.536 38.000 -0.231 0.000 1.316 265 I HN 0.350 nan 8.210 nan 0.000 0.454 266 F N 5.368 125.072 119.950 -0.410 0.000 2.408 266 F HA 0.413 4.941 4.527 0.001 0.000 0.344 266 F C -0.409 175.104 175.800 -0.478 0.000 1.112 266 F CA -0.472 57.333 58.000 -0.324 0.000 1.096 266 F CB 1.040 39.957 39.000 -0.138 0.000 1.129 266 F HN 0.272 nan 8.300 nan 0.000 0.486 267 Y N 4.254 124.644 120.300 0.150 0.000 2.402 267 Y HA 0.531 5.082 4.550 0.001 0.000 0.332 267 Y C -0.566 175.532 175.900 0.330 0.000 0.960 267 Y CA -0.782 57.391 58.100 0.121 0.000 1.228 267 Y CB 0.714 39.154 38.460 -0.034 0.000 1.120 267 Y HN 0.313 nan 8.280 nan 0.000 0.491 268 L N 5.376 126.879 121.223 0.467 0.000 2.307 268 L HA 0.643 4.983 4.340 0.001 0.000 0.284 268 L C -0.560 176.665 176.870 0.592 0.000 1.023 268 L CA -0.503 54.672 54.840 0.558 0.000 0.810 268 L CB 1.506 43.849 42.059 0.474 0.000 1.231 268 L HN 0.533 nan 8.230 nan 0.000 0.423 269 I N 2.943 123.797 120.570 0.474 0.000 2.498 269 I HA 0.401 4.571 4.170 0.001 0.000 0.290 269 I C -0.098 175.831 176.117 -0.313 0.000 1.032 269 I CA -0.682 60.697 61.300 0.132 0.000 1.073 269 I CB 2.131 40.137 38.000 0.010 0.000 1.251 269 I HN 0.596 nan 8.210 nan 0.000 0.426 270 R N 7.275 127.368 120.500 -0.678 0.000 2.537 270 R HA 0.234 4.575 4.340 0.001 0.000 0.280 270 R C -2.107 173.714 176.300 -0.797 0.000 1.058 270 R CA -1.116 54.136 56.100 -1.414 0.000 1.057 270 R CB 0.785 30.594 30.300 -0.819 0.000 0.973 270 R HN 0.239 nan 8.270 nan 0.000 0.438 271 P HA 0.070 nan 4.420 nan 0.000 0.212 271 P C -0.464 176.666 177.300 -0.283 0.000 1.816 271 P CA -0.284 62.551 63.100 -0.443 0.000 0.944 271 P CB 0.027 31.489 31.700 -0.397 0.000 1.896 272 T N -2.248 112.162 114.554 -0.241 0.000 2.856 272 T HA 0.090 4.440 4.350 0.001 0.000 0.306 272 T C 1.453 176.096 174.700 -0.095 0.000 1.062 272 T CA -0.260 61.754 62.100 -0.144 0.000 1.083 272 T CB 0.478 69.277 68.868 -0.114 0.000 0.984 272 T HN -0.079 nan 8.240 nan 0.000 0.542 273 N N 1.422 120.084 118.700 -0.064 0.000 2.061 273 N HA -0.151 4.589 4.740 0.001 0.000 0.193 273 N C 2.243 177.742 175.510 -0.018 0.000 1.030 273 N CA 1.796 54.825 53.050 -0.035 0.000 0.856 273 N CB -1.132 37.339 38.487 -0.027 0.000 1.023 273 N HN 0.863 nan 8.380 nan 0.000 0.424 274 A N 1.157 123.963 122.820 -0.023 0.000 1.883 274 A HA -0.146 4.174 4.320 0.001 0.000 0.217 274 A C 2.050 179.640 177.584 0.010 0.000 1.186 274 A CA 1.579 53.611 52.037 -0.009 0.000 0.624 274 A CB -0.534 18.452 19.000 -0.022 0.000 0.822 274 A HN 0.258 nan 8.150 nan 0.000 0.444 275 N N 0.054 118.747 118.700 -0.011 0.000 2.188 275 N HA -0.053 4.688 4.740 0.001 0.000 0.184 275 N C 1.615 177.194 175.510 0.115 0.000 1.018 275 N CA 1.137 54.209 53.050 0.037 0.000 0.858 275 N CB -0.495 37.964 38.487 -0.047 0.000 0.989 275 N HN 0.518 nan 8.380 nan 0.000 0.426 276 L N 0.367 121.615 121.223 0.042 0.000 2.083 276 L HA -0.143 4.198 4.340 0.001 0.000 0.209 276 L C 2.101 179.054 176.870 0.139 0.000 1.083 276 L CA 1.100 55.988 54.840 0.080 0.000 0.752 276 L CB -0.784 41.286 42.059 0.018 0.000 0.899 276 L HN 0.148 nan 8.230 nan 0.000 0.433 277 T N 0.264 114.875 114.554 0.096 0.000 2.708 277 T HA -0.159 4.192 4.350 0.001 0.000 0.266 277 T C 1.976 176.754 174.700 0.130 0.000 1.037 277 T CA 1.227 63.380 62.100 0.088 0.000 1.146 277 T CB -0.247 68.654 68.868 0.055 0.000 0.865 277 T HN 0.182 nan 8.240 nan 0.000 0.435 278 L N -0.183 121.148 121.223 0.181 0.000 2.083 278 L HA -0.042 4.298 4.340 0.001 0.000 0.209 278 L C 2.257 179.355 176.870 0.380 0.000 1.083 278 L CA 1.227 56.233 54.840 0.278 0.000 0.752 278 L CB -0.516 41.712 42.059 0.282 0.000 0.899 278 L HN 0.197 nan 8.230 nan 0.000 0.433 279 F N 1.103 121.115 119.950 0.104 0.000 2.102 279 F HA -0.205 4.323 4.527 0.001 0.000 0.298 279 F C 2.392 178.186 175.800 -0.009 0.000 1.105 279 F CA 1.684 59.528 58.000 -0.260 0.000 1.239 279 F CB -0.157 38.623 39.000 -0.366 0.000 0.991 279 F HN 0.059 nan 8.300 nan 0.000 0.474 280 E N -0.828 119.375 120.200 0.005 0.000 2.077 280 E HA -0.264 4.086 4.350 0.001 0.000 0.193 280 E C 2.439 178.989 176.600 -0.082 0.000 0.989 280 E CA 1.397 57.749 56.400 -0.080 0.000 0.800 280 E CB -0.753 28.953 29.700 0.010 0.000 0.746 280 E HN 0.504 nan 8.360 nan 0.000 0.452 281 C N 0.429 119.738 119.300 0.015 0.000 2.432 281 C HA -0.147 4.313 4.460 0.001 0.000 0.277 281 C C 2.406 177.419 174.990 0.038 0.000 1.249 281 C CA 0.885 59.924 59.018 0.034 0.000 1.725 281 C CB -1.165 26.628 27.740 0.088 0.000 2.028 281 C HN 0.740 nan 8.230 nan 0.000 0.477 282 W N 1.373 122.599 121.300 -0.124 0.000 2.388 282 W HA -0.062 4.598 4.660 0.001 0.000 0.294 282 W C 2.328 178.694 176.519 -0.255 0.000 1.212 282 W CA 1.754 59.019 57.345 -0.132 0.000 1.271 282 W CB -0.371 29.055 29.460 -0.058 0.000 1.126 282 W HN 0.228 nan 8.180 nan 0.000 0.535 283 S N -0.092 115.337 115.700 -0.451 0.000 2.423 283 S HA -0.151 4.320 4.470 0.001 0.000 0.231 283 S C 1.723 176.031 174.600 -0.487 0.000 1.014 283 S CA 1.572 59.357 58.200 -0.692 0.000 0.965 283 S CB -0.333 62.501 63.200 -0.610 0.000 0.785 283 S HN 0.287 nan 8.310 nan 0.000 0.495 284 S N 1.247 116.755 115.700 -0.321 0.000 2.503 284 S HA 0.131 4.601 4.470 0.001 0.000 0.215 284 S C 0.924 175.405 174.600 -0.198 0.000 1.003 284 S CA -0.166 57.902 58.200 -0.220 0.000 0.910 284 S CB 0.121 63.237 63.200 -0.140 0.000 0.790 284 S HN 0.623 nan 8.310 nan 0.000 0.514 285 S N 2.338 117.910 115.700 -0.214 0.000 2.568 285 S HA 0.096 4.567 4.470 0.001 0.000 0.282 285 S C 1.300 175.797 174.600 -0.172 0.000 1.338 285 S CA 0.022 58.132 58.200 -0.151 0.000 1.045 285 S CB 0.884 64.025 63.200 -0.099 0.000 0.873 285 S HN 0.362 nan 8.310 nan 0.000 0.516 286 S N 1.124 116.758 115.700 -0.109 0.000 2.461 286 S HA -0.107 4.363 4.470 0.001 0.000 0.228 286 S C 0.935 175.478 174.600 -0.095 0.000 1.005 286 S CA 0.465 58.605 58.200 -0.099 0.000 0.942 286 S CB -0.746 62.416 63.200 -0.064 0.000 0.776 286 S HN 0.933 nan 8.310 nan 0.000 0.514 287 N N 1.105 119.758 118.700 -0.079 0.000 2.458 287 N HA 0.127 4.867 4.740 0.001 0.000 0.274 287 N C 0.902 176.374 175.510 -0.064 0.000 1.242 287 N CA -0.322 52.697 53.050 -0.051 0.000 0.904 287 N CB 0.015 38.501 38.487 -0.002 0.000 1.206 287 N HN 0.589 nan 8.380 nan 0.000 0.510 288 Q N 1.741 121.422 119.800 -0.197 0.000 2.112 288 Q HA -0.219 4.122 4.340 0.001 0.000 0.206 288 Q C 0.997 176.928 176.000 -0.116 0.000 0.987 288 Q CA 1.966 57.540 55.803 -0.382 0.000 0.858 288 Q CB -0.063 28.246 28.738 -0.715 0.000 0.905 288 Q HN 0.544 nan 8.270 nan 0.000 0.420 289 N N -0.283 118.364 118.700 -0.089 0.000 2.571 289 N HA -0.143 4.598 4.740 0.001 0.000 0.189 289 N C 0.246 175.770 175.510 0.023 0.000 1.154 289 N CA 0.977 54.011 53.050 -0.027 0.000 0.907 289 N CB 0.087 38.534 38.487 -0.067 0.000 0.977 289 N HN 0.456 nan 8.380 nan 0.000 0.449 290 E N -0.708 119.539 120.200 0.080 0.000 2.562 290 E HA 0.274 4.624 4.350 0.001 0.000 0.214 290 E C -0.150 176.582 176.600 0.219 0.000 0.979 290 E CA -0.111 56.358 56.400 0.115 0.000 1.002 290 E CB 0.529 30.273 29.700 0.074 0.000 1.048 290 E HN 0.293 nan 8.360 nan 0.000 0.488 291 M N 1.301 121.096 119.600 0.326 0.000 2.167 291 M HA 0.275 4.755 4.480 0.001 0.000 0.333 291 M C -0.901 175.751 176.300 0.586 0.000 1.030 291 M CA -0.840 54.718 55.300 0.430 0.000 0.963 291 M CB 1.446 34.312 32.600 0.443 0.000 1.589 291 M HN -0.052 nan 8.290 nan 0.000 0.431 292 F N 3.480 123.629 119.950 0.333 0.000 2.462 292 F HA 0.101 4.629 4.527 0.001 0.000 0.360 292 F C 0.607 176.466 175.800 0.097 0.000 1.134 292 F CA -0.246 57.961 58.000 0.346 0.000 1.148 292 F CB 0.312 39.498 39.000 0.311 0.000 1.147 292 F HN 0.567 nan 8.300 nan 0.000 0.550 293 F N 4.751 124.250 119.950 -0.753 0.000 2.202 293 F HA -0.032 4.495 4.527 0.001 0.000 0.301 293 F C 2.085 177.243 175.800 -1.071 0.000 1.082 293 F CA 1.930 59.200 58.000 -1.217 0.000 1.313 293 F CB -0.644 37.162 39.000 -1.989 0.000 1.024 293 F HN 0.522 nan 8.300 nan 0.000 0.495 294 G N -0.525 107.400 108.800 -1.457 0.000 2.501 294 G HA2 -0.259 3.702 3.960 0.001 0.000 0.220 294 G HA3 -0.259 3.702 3.960 0.001 0.000 0.220 294 G C 1.276 175.979 174.900 -0.328 0.000 1.114 294 G CA 1.016 45.609 45.100 -0.845 0.000 0.757 294 G HN 0.323 nan 8.290 nan 0.000 0.559 295 D N 0.128 120.431 120.400 -0.162 0.000 2.277 295 D HA -0.004 4.636 4.640 0.001 0.000 0.208 295 D C 2.518 178.694 176.300 -0.206 0.000 0.962 295 D CA 0.480 54.459 54.000 -0.034 0.000 0.865 295 D CB 0.010 40.881 40.800 0.118 0.000 0.939 295 D HN 0.409 nan 8.370 nan 0.000 0.510 296 Q N 0.222 119.757 119.800 -0.442 0.000 2.444 296 Q HA 0.065 4.405 4.340 0.001 0.000 0.206 296 Q C 0.642 176.392 176.000 -0.416 0.000 0.948 296 Q CA 0.148 55.708 55.803 -0.405 0.000 0.946 296 Q CB 0.838 29.308 28.738 -0.446 0.000 1.027 296 Q HN 0.194 nan 8.270 nan 0.000 0.513 297 V N -3.433 116.196 119.914 -0.475 0.000 3.019 297 V HA 0.296 4.416 4.120 0.001 0.000 0.317 297 V C 0.442 176.401 176.094 -0.225 0.000 1.094 297 V CA -0.749 61.334 62.300 -0.363 0.000 1.000 297 V CB 1.840 33.389 31.823 -0.455 0.000 1.060 297 V HN -0.156 nan 8.190 nan 0.000 0.443 298 D N 0.705 121.003 120.400 -0.169 0.000 2.097 298 D HA -0.039 4.601 4.640 0.001 0.000 0.195 298 D C 0.475 176.687 176.300 -0.146 0.000 0.989 298 D CA 1.643 55.570 54.000 -0.122 0.000 0.827 298 D CB 0.242 40.991 40.800 -0.085 0.000 0.966 298 D HN 0.566 nan 8.370 nan 0.000 0.456 299 K N -0.279 119.995 120.400 -0.210 0.000 2.541 299 K HA 0.326 4.646 4.320 0.001 0.000 0.250 299 K C -1.522 174.820 176.600 -0.431 0.000 0.950 299 K CA -0.601 55.461 56.287 -0.375 0.000 0.805 299 K CB 1.773 33.980 32.500 -0.488 0.000 1.166 299 K HN -0.007 nan 8.250 nan 0.000 0.430 300 C N 4.952 124.049 119.300 -0.338 0.000 2.344 300 C HA 0.554 5.014 4.460 0.001 0.000 0.326 300 C C -0.989 173.970 174.990 -0.051 0.000 1.201 300 C CA -0.663 58.278 59.018 -0.128 0.000 1.410 300 C CB -0.841 26.923 27.740 0.040 0.000 2.070 300 C HN 0.724 nan 8.230 nan 0.000 0.445 301 Y N 3.887 124.321 120.300 0.223 0.000 2.320 301 Y HA 0.429 4.979 4.550 0.001 0.000 0.334 301 Y C 0.518 176.516 175.900 0.164 0.000 1.055 301 Y CA -0.195 58.031 58.100 0.210 0.000 1.143 301 Y CB 0.888 39.468 38.460 0.200 0.000 1.193 301 Y HN 0.560 nan 8.280 nan 0.000 0.477 302 K N 3.254 123.841 120.400 0.313 0.000 2.234 302 K HA 0.522 4.843 4.320 0.001 0.000 0.277 302 K C -1.432 175.232 176.600 0.106 0.000 1.038 302 K CA -0.397 55.979 56.287 0.149 0.000 0.888 302 K CB 0.612 33.284 32.500 0.287 0.000 1.091 302 K HN 0.816 nan 8.250 nan 0.000 0.467 303 C N 4.082 123.393 119.300 0.018 0.000 2.344 303 C HA 0.419 4.879 4.460 0.001 0.000 0.326 303 C C -0.532 174.481 174.990 0.038 0.000 1.201 303 C CA -0.465 58.574 59.018 0.036 0.000 1.410 303 C CB 0.165 27.913 27.740 0.013 0.000 2.070 303 C HN 0.879 nan 8.230 nan 0.000 0.445 304 S N 4.100 119.821 115.700 0.035 0.000 2.474 304 S HA 0.389 4.859 4.470 0.001 0.000 0.276 304 S C -0.160 174.470 174.600 0.050 0.000 1.227 304 S CA -0.340 57.885 58.200 0.041 0.000 1.050 304 S CB 0.822 64.044 63.200 0.036 0.000 0.939 304 S HN 0.656 nan 8.310 nan 0.000 0.490 305 V N 5.553 125.517 119.914 0.084 0.000 2.328 305 V HA 0.331 4.451 4.120 0.001 0.000 0.278 305 V C 0.217 176.330 176.094 0.033 0.000 1.021 305 V CA -0.635 61.698 62.300 0.055 0.000 0.838 305 V CB 0.813 32.686 31.823 0.083 0.000 0.999 305 V HN 0.729 nan 8.190 nan 0.000 0.447 306 K N 2.286 122.690 120.400 0.008 0.000 2.210 306 K HA 0.466 4.787 4.320 0.001 0.000 0.236 306 K C 0.080 176.665 176.600 -0.026 0.000 1.016 306 K CA -0.855 55.433 56.287 0.002 0.000 0.913 306 K CB 1.126 33.633 32.500 0.011 0.000 1.141 306 K HN 0.692 nan 8.250 nan 0.000 0.462 307 Q N 0.362 120.153 119.800 -0.014 0.000 2.304 307 Q HA -0.084 4.256 4.340 0.001 0.000 0.315 307 Q C 0.532 176.513 176.000 -0.033 0.000 1.075 307 Q CA 1.497 57.288 55.803 -0.020 0.000 0.988 307 Q CB -0.076 28.674 28.738 0.021 0.000 1.146 307 Q HN 0.820 nan 8.270 nan 0.000 0.383 308 G N 2.707 111.453 108.800 -0.090 0.000 2.205 308 G HA2 -0.306 3.655 3.960 0.001 0.000 0.261 308 G HA3 -0.306 3.655 3.960 0.001 0.000 0.261 308 G C -0.129 174.738 174.900 -0.054 0.000 0.980 308 G CA 0.469 45.564 45.100 -0.009 0.000 0.632 308 G HN 0.650 nan 8.290 nan 0.000 0.533 309 Q N 0.469 120.181 119.800 -0.145 0.000 2.260 309 Q HA 0.598 4.939 4.340 0.001 0.000 0.242 309 Q C -0.527 175.420 176.000 -0.088 0.000 0.932 309 Q CA 0.168 55.935 55.803 -0.060 0.000 0.891 309 Q CB 1.288 30.009 28.738 -0.027 0.000 1.222 309 Q HN 0.226 nan 8.270 nan 0.000 0.453 310 T N 1.955 116.548 114.554 0.066 0.000 2.841 310 T HA 0.460 4.810 4.350 0.001 0.000 0.285 310 T C -1.188 173.517 174.700 0.009 0.000 0.991 310 T CA -0.627 61.533 62.100 0.099 0.000 0.966 310 T CB 0.865 69.869 68.868 0.227 0.000 0.962 310 T HN 0.299 nan 8.240 nan 0.000 0.438 311 L N 3.652 124.805 121.223 -0.117 0.000 2.317 311 L HA 0.747 5.088 4.340 0.001 0.000 0.281 311 L C -1.685 175.017 176.870 -0.281 0.000 1.024 311 L CA -0.673 54.078 54.840 -0.149 0.000 0.810 311 L CB 0.599 42.470 42.059 -0.313 0.000 1.240 311 L HN 0.586 nan 8.230 nan 0.000 0.427 312 F N 5.799 125.763 119.950 0.023 0.000 2.449 312 F HA 0.535 5.062 4.527 0.000 0.000 0.342 312 F C -0.083 175.773 175.800 0.093 0.000 1.127 312 F CA -0.539 57.553 58.000 0.153 0.000 0.975 312 F CB 1.240 40.338 39.000 0.163 0.000 1.146 312 F HN 0.218 nan 8.300 nan 0.000 0.444 313 I N 5.461 126.100 120.570 0.116 0.000 2.321 313 I HA 0.344 4.514 4.170 0.001 0.000 0.291 313 I C -2.333 173.612 176.117 -0.286 0.000 0.998 313 I CA -2.231 58.956 61.300 -0.188 0.000 1.227 313 I CB 1.457 39.267 38.000 -0.318 0.000 1.368 313 I HN 0.271 nan 8.210 nan 0.000 0.466 314 P HA 0.093 nan 4.420 nan 0.000 0.272 314 P C -0.431 176.668 177.300 -0.335 0.000 1.240 314 P CA -0.369 62.128 63.100 -1.004 0.000 0.791 314 P CB 0.238 31.360 31.700 -0.962 0.000 0.978 315 T N 1.239 115.618 114.554 -0.292 0.000 2.867 315 T HA 0.209 4.559 4.350 0.001 0.000 0.290 315 T C 1.492 176.188 174.700 -0.006 0.000 1.025 315 T CA 1.635 63.644 62.100 -0.151 0.000 1.146 315 T CB -0.887 67.880 68.868 -0.168 0.000 1.024 315 T HN 0.866 nan 8.240 nan 0.000 0.519 316 G N 2.362 111.144 108.800 -0.030 0.000 2.267 316 G HA2 -0.247 3.713 3.960 0.001 0.000 0.257 316 G HA3 -0.247 3.713 3.960 0.001 0.000 0.257 316 G C 0.094 174.962 174.900 -0.053 0.000 0.998 316 G CA -0.247 44.818 45.100 -0.058 0.000 0.620 316 G HN 0.727 nan 8.290 nan 0.000 0.529 317 W N 1.321 122.541 121.300 -0.133 0.000 2.347 317 W HA 0.521 5.181 4.660 0.001 0.000 0.333 317 W C 1.073 177.590 176.519 -0.004 0.000 1.383 317 W CA -0.137 57.159 57.345 -0.080 0.000 1.283 317 W CB 0.109 29.511 29.460 -0.097 0.000 1.253 317 W HN 0.179 nan 8.180 nan 0.000 0.563 318 I N 6.806 127.389 120.570 0.022 0.000 2.396 318 I HA 0.097 4.268 4.170 0.001 0.000 0.289 318 I C 0.494 176.764 176.117 0.254 0.000 1.056 318 I CA -0.051 61.177 61.300 -0.120 0.000 1.365 318 I CB 0.153 37.899 38.000 -0.424 0.000 1.407 318 I HN 0.377 nan 8.210 nan 0.000 0.509 319 H N 4.853 123.941 119.070 0.030 0.000 3.012 319 H HA 0.838 5.395 4.556 0.001 0.000 0.367 319 H C -1.698 173.577 175.328 -0.087 0.000 1.211 319 H CA -1.314 54.822 56.048 0.146 0.000 1.139 319 H CB 1.293 31.158 29.762 0.173 0.000 1.838 319 H HN 0.558 nan 8.280 nan 0.000 0.550 320 A N 1.475 124.136 122.820 -0.265 0.000 2.354 320 A HA 0.673 4.993 4.320 0.001 0.000 0.321 320 A C -0.957 176.497 177.584 -0.216 0.000 1.125 320 A CA -0.693 51.023 52.037 -0.536 0.000 0.799 320 A CB 1.767 20.027 19.000 -1.233 0.000 1.293 320 A HN 0.423 nan 8.150 nan 0.000 0.452 321 V N 1.800 121.488 119.914 -0.376 0.000 2.525 321 V HA 0.452 4.572 4.120 0.001 0.000 0.299 321 V C -0.865 175.123 176.094 -0.178 0.000 1.034 321 V CA -0.407 61.641 62.300 -0.421 0.000 0.863 321 V CB 1.200 32.625 31.823 -0.663 0.000 0.999 321 V HN 0.839 nan 8.190 nan 0.000 0.423 322 L N 4.496 125.761 121.223 0.070 0.000 2.295 322 L HA 0.714 5.055 4.340 0.001 0.000 0.285 322 L C 0.281 177.171 176.870 0.032 0.000 1.035 322 L CA 0.623 55.601 54.840 0.229 0.000 0.806 322 L CB 1.901 44.223 42.059 0.439 0.000 1.214 322 L HN 0.698 nan 8.230 nan 0.000 0.426 323 T N 7.439 122.020 114.554 0.044 0.000 2.832 323 T HA 0.342 4.692 4.350 0.001 0.000 0.313 323 T C -2.036 172.692 174.700 0.048 0.000 1.035 323 T CA -0.860 61.246 62.100 0.010 0.000 0.950 323 T CB 1.018 69.887 68.868 0.002 0.000 0.984 323 T HN 0.536 nan 8.240 nan 0.000 0.486 324 P HA 0.041 nan 4.420 nan 0.000 0.224 324 P C 0.340 177.660 177.300 0.034 0.000 1.157 324 P CA 0.459 63.587 63.100 0.047 0.000 0.799 324 P CB 0.121 31.848 31.700 0.045 0.000 0.809 325 V N -4.774 115.158 119.914 0.029 0.000 3.114 325 V HA 0.519 4.639 4.120 0.001 0.000 0.308 325 V C -1.041 175.072 176.094 0.032 0.000 1.168 325 V CA -1.408 60.906 62.300 0.024 0.000 1.015 325 V CB 1.519 33.356 31.823 0.022 0.000 1.050 325 V HN -0.336 nan 8.190 nan 0.000 0.433 326 D N 1.323 121.742 120.400 0.032 0.000 2.658 326 D HA 0.148 4.788 4.640 0.001 0.000 0.230 326 D C -0.260 176.085 176.300 0.076 0.000 1.118 326 D CA 0.729 54.770 54.000 0.068 0.000 0.848 326 D CB 0.647 41.486 40.800 0.065 0.000 1.160 326 D HN 0.956 nan 8.370 nan 0.000 0.497 327 C N 4.147 123.495 119.300 0.080 0.000 2.547 327 C HA 0.695 5.156 4.460 0.001 0.000 0.313 327 C C -0.774 174.223 174.990 0.011 0.000 1.191 327 C CA -0.776 58.263 59.018 0.035 0.000 1.474 327 C CB 0.436 28.178 27.740 0.003 0.000 2.081 327 C HN 0.627 nan 8.230 nan 0.000 0.476 328 L N 5.452 126.662 121.223 -0.022 0.000 2.356 328 L HA 0.870 5.211 4.340 0.001 0.000 0.277 328 L C -0.136 176.636 176.870 -0.162 0.000 0.996 328 L CA 0.163 54.942 54.840 -0.102 0.000 0.822 328 L CB 1.491 43.504 42.059 -0.077 0.000 1.256 328 L HN 0.969 nan 8.230 nan 0.000 0.413 329 A N 3.561 126.218 122.820 -0.272 0.000 2.594 329 A HA 0.845 5.165 4.320 0.001 0.000 0.291 329 A C -1.874 175.499 177.584 -0.352 0.000 1.105 329 A CA -0.422 51.497 52.037 -0.197 0.000 0.694 329 A CB 1.383 20.366 19.000 -0.028 0.000 1.291 329 A HN 0.509 nan 8.150 nan 0.000 0.410 330 F N -0.400 119.694 119.950 0.240 0.000 2.593 330 F HA 0.843 5.371 4.527 0.001 0.000 0.320 330 F C 0.822 176.592 175.800 -0.049 0.000 1.060 330 F CA 0.160 58.292 58.000 0.219 0.000 0.940 330 F CB 2.760 41.956 39.000 0.326 0.000 1.268 330 F HN 1.027 nan 8.300 nan 0.000 0.475 331 G N -0.646 108.031 108.800 -0.205 0.000 2.550 331 G HA2 0.638 4.598 3.960 0.001 0.000 0.293 331 G HA3 0.638 4.598 3.960 0.001 0.000 0.293 331 G C -1.475 172.798 174.900 -1.045 0.000 1.402 331 G CA -0.294 44.082 45.100 -1.206 0.000 0.784 331 G HN 1.031 nan 8.290 nan 0.000 0.482 332 G N -0.903 107.146 108.800 -1.251 0.000 2.601 332 G HA2 0.538 4.498 3.960 0.001 0.000 0.291 332 G HA3 0.538 4.498 3.960 0.001 0.000 0.291 332 G C -2.011 172.909 174.900 0.034 0.000 1.456 332 G CA -0.809 44.167 45.100 -0.207 0.000 0.804 332 G HN 0.666 nan 8.290 nan 0.000 0.499 333 N N -0.753 118.146 118.700 0.331 0.000 2.269 333 N HA 0.834 5.574 4.740 0.001 0.000 0.304 333 N C -0.927 174.861 175.510 0.464 0.000 1.072 333 N CA -0.558 52.659 53.050 0.277 0.000 0.802 333 N CB 2.053 40.608 38.487 0.113 0.000 1.348 333 N HN 0.638 nan 8.380 nan 0.000 0.484 334 F N -0.918 119.136 119.950 0.173 0.000 2.631 334 F HA 0.670 5.198 4.527 0.001 0.000 0.308 334 F C -1.682 174.148 175.800 0.050 0.000 1.097 334 F CA -1.222 56.894 58.000 0.193 0.000 0.952 334 F CB 1.170 40.308 39.000 0.231 0.000 1.307 334 F HN 0.080 nan 8.300 nan 0.000 0.450 335 L N 2.028 123.262 121.223 0.018 0.000 2.334 335 L HA 0.739 5.079 4.340 0.001 0.000 0.270 335 L C -0.612 175.950 176.870 -0.513 0.000 1.018 335 L CA -0.831 53.714 54.840 -0.491 0.000 0.811 335 L CB 1.967 43.609 42.059 -0.695 0.000 1.271 335 L HN 1.028 nan 8.230 nan 0.000 0.443 336 H N -2.278 116.227 119.070 -0.942 0.000 2.905 336 H HA 0.381 4.938 4.556 0.001 0.000 0.280 336 H C -0.721 174.410 175.328 -0.328 0.000 1.445 336 H CA -0.846 54.888 56.048 -0.523 0.000 1.165 336 H CB 1.149 30.957 29.762 0.077 0.000 1.857 336 H HN 0.230 nan 8.280 nan 0.000 0.567 337 S N -0.251 115.710 115.700 0.435 0.000 2.557 337 S HA 0.161 4.632 4.470 0.001 0.000 0.223 337 S C 1.278 176.152 174.600 0.457 0.000 0.969 337 S CA -0.214 58.315 58.200 0.549 0.000 0.927 337 S CB -0.163 63.438 63.200 0.669 0.000 0.806 337 S HN 0.504 nan 8.310 nan 0.000 0.489 338 L N 1.841 123.332 121.223 0.447 0.000 2.240 338 L HA 0.125 4.465 4.340 0.001 0.000 0.211 338 L C 0.735 177.724 176.870 0.199 0.000 1.106 338 L CA 0.682 55.615 54.840 0.155 0.000 0.793 338 L CB -0.242 41.874 42.059 0.095 0.000 0.927 338 L HN 0.431 nan 8.230 nan 0.000 0.446 339 N N -1.137 117.670 118.700 0.179 0.000 2.697 339 N HA 0.188 4.928 4.740 0.001 0.000 0.253 339 N C 0.477 176.003 175.510 0.027 0.000 1.604 339 N CA -0.125 52.990 53.050 0.109 0.000 0.772 339 N CB 0.493 39.028 38.487 0.081 0.000 1.267 339 N HN 0.102 nan 8.380 nan 0.000 0.510 340 I N 0.696 121.317 120.570 0.084 0.000 2.286 340 I HA -0.253 3.917 4.170 0.001 0.000 0.248 340 I C 2.612 178.749 176.117 0.033 0.000 1.115 340 I CA 1.368 62.703 61.300 0.058 0.000 1.392 340 I CB 0.000 38.090 38.000 0.150 0.000 1.065 340 I HN 0.507 nan 8.210 nan 0.000 0.418 341 E N 0.871 121.092 120.200 0.035 0.000 2.058 341 E HA -0.316 4.035 4.350 0.001 0.000 0.194 341 E C 2.216 178.820 176.600 0.005 0.000 0.997 341 E CA 1.655 58.062 56.400 0.011 0.000 0.801 341 E CB -0.060 29.645 29.700 0.007 0.000 0.746 341 E HN 0.245 nan 8.360 nan 0.000 0.450 342 M N 0.979 120.575 119.600 -0.007 0.000 2.159 342 M HA -0.170 4.310 4.480 0.001 0.000 0.263 342 M C 2.077 178.358 176.300 -0.032 0.000 1.063 342 M CA 1.712 56.996 55.300 -0.027 0.000 1.110 342 M CB -0.267 32.311 32.600 -0.036 0.000 1.374 342 M HN 0.102 nan 8.290 nan 0.000 0.411 343 Q N -0.344 119.425 119.800 -0.051 0.000 2.061 343 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 343 Q C 2.029 178.095 176.000 0.110 0.000 0.984 343 Q CA 2.079 57.856 55.803 -0.044 0.000 0.846 343 Q CB -0.263 28.381 28.738 -0.158 0.000 0.902 343 Q HN 0.592 nan 8.270 nan 0.000 0.421 344 L N 0.435 121.761 121.223 0.171 0.000 2.012 344 L HA -0.237 4.103 4.340 0.001 0.000 0.210 344 L C 2.633 179.613 176.870 0.182 0.000 1.073 344 L CA 1.514 56.513 54.840 0.265 0.000 0.748 344 L CB -0.481 41.683 42.059 0.174 0.000 0.891 344 L HN 0.223 nan 8.230 nan 0.000 0.431 345 K N 0.240 120.691 120.400 0.084 0.000 2.002 345 K HA -0.208 4.112 4.320 0.001 0.000 0.209 345 K C 2.157 178.768 176.600 0.017 0.000 1.048 345 K CA 1.483 57.795 56.287 0.042 0.000 0.930 345 K CB -0.138 32.366 32.500 0.006 0.000 0.714 345 K HN 0.266 nan 8.250 nan 0.000 0.438 346 A N 0.460 123.280 122.820 -0.001 0.000 1.902 346 A HA -0.210 4.111 4.320 0.001 0.000 0.217 346 A C 2.075 179.639 177.584 -0.032 0.000 1.181 346 A CA 1.600 53.620 52.037 -0.027 0.000 0.623 346 A CB -0.949 18.020 19.000 -0.051 0.000 0.818 346 A HN 0.630 nan 8.150 nan 0.000 0.443 347 Y N 0.922 121.101 120.300 -0.201 0.000 2.097 347 Y HA -0.221 4.329 4.550 0.001 0.000 0.282 347 Y C 2.278 178.064 175.900 -0.191 0.000 1.152 347 Y CA 2.232 60.108 58.100 -0.373 0.000 1.136 347 Y CB -0.226 37.649 38.460 -0.974 0.000 0.975 347 Y HN 0.334 nan 8.280 nan 0.000 0.498 348 E N 0.593 120.633 120.200 -0.267 0.000 2.051 348 E HA -0.201 4.149 4.350 0.001 0.000 0.192 348 E C 2.393 178.889 176.600 -0.173 0.000 0.991 348 E CA 1.814 58.057 56.400 -0.261 0.000 0.799 348 E CB -0.465 29.235 29.700 0.002 0.000 0.748 348 E HN 0.636 nan 8.360 nan 0.000 0.449 349 I N 1.131 121.654 120.570 -0.079 0.000 2.202 349 I HA -0.212 3.959 4.170 0.001 0.000 0.242 349 I C 2.657 178.772 176.117 -0.003 0.000 1.091 349 I CA 1.046 62.337 61.300 -0.014 0.000 1.368 349 I CB -0.233 37.789 38.000 0.036 0.000 1.058 349 I HN 0.042 nan 8.210 nan 0.000 0.410 350 E N 1.538 121.731 120.200 -0.012 0.000 2.106 350 E HA -0.266 4.084 4.350 0.001 0.000 0.192 350 E C 2.107 178.708 176.600 0.002 0.000 0.984 350 E CA 1.233 57.660 56.400 0.045 0.000 0.806 350 E CB 0.017 29.762 29.700 0.075 0.000 0.750 350 E HN 0.365 nan 8.360 nan 0.000 0.458 351 K N 0.446 120.776 120.400 -0.116 0.000 2.032 351 K HA -0.164 4.157 4.320 0.001 0.000 0.209 351 K C 2.326 178.905 176.600 -0.036 0.000 1.048 351 K CA 1.419 57.652 56.287 -0.090 0.000 0.927 351 K CB -0.006 32.291 32.500 -0.338 0.000 0.712 351 K HN -0.031 nan 8.250 nan 0.000 0.441 352 R N -0.307 120.160 120.500 -0.055 0.000 2.092 352 R HA -0.064 4.277 4.340 0.001 0.000 0.231 352 R C 1.980 178.259 176.300 -0.035 0.000 1.119 352 R CA 0.980 57.060 56.100 -0.033 0.000 0.970 352 R CB -0.039 30.245 30.300 -0.027 0.000 0.864 352 R HN 0.143 nan 8.270 nan 0.000 0.440 353 L N 0.103 121.312 121.223 -0.023 0.000 2.375 353 L HA 0.094 4.434 4.340 0.001 0.000 0.215 353 L C 1.075 177.921 176.870 -0.041 0.000 1.108 353 L CA 0.786 55.600 54.840 -0.044 0.000 0.830 353 L CB -0.352 41.693 42.059 -0.023 0.000 0.959 353 L HN -0.059 nan 8.230 nan 0.000 0.457 354 S N -0.453 115.241 115.700 -0.010 0.000 2.558 354 S HA 0.027 4.498 4.470 0.001 0.000 0.288 354 S C 1.323 175.884 174.600 -0.065 0.000 1.318 354 S CA 0.433 58.625 58.200 -0.013 0.000 1.056 354 S CB 0.406 63.608 63.200 0.004 0.000 0.853 354 S HN 0.504 nan 8.310 nan 0.000 0.505 355 T N 1.940 116.451 114.554 -0.072 0.000 3.134 355 T HA 0.522 4.872 4.350 0.001 0.000 0.260 355 T C 0.464 175.102 174.700 -0.103 0.000 1.027 355 T CA 0.065 62.109 62.100 -0.094 0.000 0.913 355 T CB -0.067 68.743 68.868 -0.097 0.000 1.046 355 T HN 0.761 nan 8.240 nan 0.000 0.553 356 A N 1.431 124.186 122.820 -0.108 0.000 2.462 356 A HA 0.298 4.618 4.320 0.001 0.000 0.243 356 A C 1.133 178.615 177.584 -0.171 0.000 1.076 356 A CA -0.293 51.667 52.037 -0.128 0.000 0.773 356 A CB 0.163 19.090 19.000 -0.123 0.000 1.010 356 A HN 0.368 nan 8.150 nan 0.000 0.493 357 D N 0.600 120.911 120.400 -0.148 0.000 2.277 357 D HA 0.076 4.716 4.640 0.001 0.000 0.208 357 D C 0.271 176.453 176.300 -0.197 0.000 0.962 357 D CA 1.079 54.987 54.000 -0.152 0.000 0.865 357 D CB 0.062 40.802 40.800 -0.100 0.000 0.939 357 D HN 0.478 nan 8.370 nan 0.000 0.510 358 L N -0.260 120.842 121.223 -0.201 0.000 2.354 358 L HA 0.372 4.712 4.340 0.001 0.000 0.264 358 L C -0.607 176.122 176.870 -0.235 0.000 1.008 358 L CA -1.081 53.650 54.840 -0.182 0.000 0.819 358 L CB 1.586 43.605 42.059 -0.068 0.000 1.339 358 L HN -0.298 nan 8.230 nan 0.000 0.420 359 F N 1.204 121.180 119.950 0.043 0.000 2.466 359 F HA 0.269 4.796 4.527 0.001 0.000 0.363 359 F C 1.485 177.311 175.800 0.044 0.000 1.109 359 F CA -0.202 57.853 58.000 0.093 0.000 1.161 359 F CB 0.444 39.546 39.000 0.170 0.000 1.117 359 F HN 0.372 nan 8.300 nan 0.000 0.539 360 R N 1.954 122.504 120.500 0.084 0.000 2.189 360 R HA -0.063 4.278 4.340 0.001 0.000 0.218 360 R C 0.242 176.592 176.300 0.083 0.000 1.074 360 R CA 0.823 56.821 56.100 -0.171 0.000 0.991 360 R CB 0.063 29.838 30.300 -0.875 0.000 0.883 360 R HN 0.463 nan 8.270 nan 0.000 0.457 361 F N 3.265 123.391 119.950 0.293 0.000 2.366 361 F HA 0.336 4.863 4.527 0.001 0.000 0.357 361 F C -2.166 173.845 175.800 0.352 0.000 1.107 361 F CA -3.011 55.237 58.000 0.413 0.000 1.208 361 F CB 0.908 40.276 39.000 0.614 0.000 1.464 361 F HN -0.182 nan 8.300 nan 0.000 0.501 362 P HA 0.106 nan 4.420 nan 0.000 0.272 362 P C -0.779 176.681 177.300 0.266 0.000 1.223 362 P CA 0.180 63.413 63.100 0.223 0.000 0.784 362 P CB 0.638 32.432 31.700 0.157 0.000 0.923 363 N N -1.101 117.750 118.700 0.253 0.000 2.747 363 N HA -0.252 4.489 4.740 0.001 0.000 0.249 363 N C 0.436 176.185 175.510 0.399 0.000 1.107 363 N CA 0.166 53.387 53.050 0.285 0.000 0.707 363 N CB -2.023 36.705 38.487 0.401 0.000 1.054 363 N HN 0.391 nan 8.380 nan 0.000 0.555 364 F N 1.113 121.238 119.950 0.291 0.000 2.091 364 F HA -0.243 4.285 4.527 0.001 0.000 0.299 364 F C 2.176 177.978 175.800 0.004 0.000 1.103 364 F CA 2.060 60.165 58.000 0.175 0.000 1.228 364 F CB 0.007 38.823 39.000 -0.306 0.000 0.984 364 F HN 0.204 nan 8.300 nan 0.000 0.477 365 E N -0.634 119.573 120.200 0.011 0.000 2.110 365 E HA -0.181 4.170 4.350 0.001 0.000 0.193 365 E C 2.093 178.675 176.600 -0.029 0.000 0.988 365 E CA 1.764 58.041 56.400 -0.205 0.000 0.804 365 E CB -0.374 29.024 29.700 -0.503 0.000 0.745 365 E HN 0.433 nan 8.360 nan 0.000 0.458 366 T N 1.666 116.200 114.554 -0.033 0.000 2.635 366 T HA -0.216 4.134 4.350 0.001 0.000 0.267 366 T C 1.954 176.579 174.700 -0.125 0.000 1.040 366 T CA 1.302 63.276 62.100 -0.211 0.000 1.156 366 T CB -0.307 68.211 68.868 -0.583 0.000 0.863 366 T HN 0.081 nan 8.240 nan 0.000 0.430 367 I N 0.790 121.411 120.570 0.086 0.000 2.286 367 I HA -0.115 4.056 4.170 0.001 0.000 0.248 367 I C 2.400 178.488 176.117 -0.049 0.000 1.115 367 I CA 0.594 62.008 61.300 0.190 0.000 1.392 367 I CB -0.619 37.700 38.000 0.531 0.000 1.065 367 I HN 0.308 nan 8.210 nan 0.000 0.418 368 C N -0.191 119.042 119.300 -0.110 0.000 2.401 368 C HA -0.229 4.231 4.460 0.001 0.000 0.276 368 C C 2.507 177.526 174.990 0.048 0.000 1.233 368 C CA 1.097 60.052 59.018 -0.106 0.000 1.753 368 C CB -1.777 25.992 27.740 0.048 0.000 2.029 368 C HN 0.719 nan 8.230 nan 0.000 0.478 369 W N -0.864 120.443 121.300 0.012 0.000 2.355 369 W HA -0.140 4.520 4.660 0.000 0.000 0.309 369 W C 2.487 178.852 176.519 -0.257 0.000 1.206 369 W CA 1.010 58.201 57.345 -0.257 0.000 1.284 369 W CB -0.745 28.420 29.460 -0.492 0.000 1.145 369 W HN 0.311 nan 8.180 nan 0.000 0.502 370 Y N -0.462 119.842 120.300 0.006 0.000 2.224 370 Y HA -0.204 4.346 4.550 0.001 0.000 0.289 370 Y C 2.313 178.133 175.900 -0.133 0.000 1.146 370 Y CA 1.052 59.089 58.100 -0.105 0.000 1.182 370 Y CB -1.300 37.036 38.460 -0.207 0.000 0.983 370 Y HN -0.241 nan 8.280 nan 0.000 0.524 371 V N -0.741 119.105 119.914 -0.113 0.000 2.548 371 V HA -0.192 3.929 4.120 0.001 0.000 0.249 371 V C 2.521 178.573 176.094 -0.071 0.000 1.055 371 V CA 1.690 63.809 62.300 -0.302 0.000 1.065 371 V CB -1.317 29.920 31.823 -0.978 0.000 0.681 371 V HN 0.530 nan 8.190 nan 0.000 0.462 372 G N 0.493 109.349 108.800 0.093 0.000 2.446 372 G HA2 -0.370 3.590 3.960 0.001 0.000 0.217 372 G HA3 -0.370 3.590 3.960 0.001 0.000 0.217 372 G C 1.578 176.556 174.900 0.130 0.000 1.168 372 G CA 1.417 46.670 45.100 0.256 0.000 0.771 372 G HN 0.517 nan 8.290 nan 0.000 0.551 373 K N 0.307 120.771 120.400 0.106 0.000 2.057 373 K HA -0.113 4.207 4.320 0.001 0.000 0.206 373 K C 2.153 178.776 176.600 0.038 0.000 1.050 373 K CA 1.685 58.014 56.287 0.069 0.000 0.935 373 K CB -0.708 31.837 32.500 0.075 0.000 0.715 373 K HN 0.440 nan 8.250 nan 0.000 0.439 374 H N -0.047 118.991 119.070 -0.053 0.000 2.387 374 H HA 0.032 4.588 4.556 0.001 0.000 0.299 374 H C 1.657 176.897 175.328 -0.146 0.000 1.090 374 H CA 2.252 58.247 56.048 -0.088 0.000 1.332 374 H CB -0.063 29.636 29.762 -0.106 0.000 1.386 374 H HN 0.260 nan 8.280 nan 0.000 0.516 375 I N -0.459 119.952 120.570 -0.264 0.000 2.353 375 I HA -0.179 3.992 4.170 0.001 0.000 0.248 375 I C 2.227 177.981 176.117 -0.605 0.000 1.119 375 I CA 0.715 61.710 61.300 -0.508 0.000 1.417 375 I CB -0.175 37.578 38.000 -0.411 0.000 1.078 375 I HN 0.294 nan 8.210 nan 0.000 0.421 376 L N 1.093 122.152 121.223 -0.272 0.000 2.012 376 L HA -0.271 4.069 4.340 0.001 0.000 0.210 376 L C 1.946 178.752 176.870 -0.106 0.000 1.073 376 L CA 2.093 56.873 54.840 -0.101 0.000 0.748 376 L CB -0.799 41.270 42.059 0.016 0.000 0.891 376 L HN 0.177 nan 8.230 nan 0.000 0.431 377 D N -0.221 120.091 120.400 -0.147 0.000 2.123 377 D HA -0.206 4.434 4.640 0.001 0.000 0.196 377 D C 2.333 178.537 176.300 -0.159 0.000 0.992 377 D CA 1.958 55.886 54.000 -0.121 0.000 0.833 377 D CB -0.209 40.523 40.800 -0.114 0.000 0.954 377 D HN 0.472 nan 8.370 nan 0.000 0.455 378 I N 0.338 120.716 120.570 -0.319 0.000 2.127 378 I HA -0.290 3.880 4.170 0.001 0.000 0.241 378 I C 2.183 178.264 176.117 -0.059 0.000 1.075 378 I CA 0.840 61.981 61.300 -0.266 0.000 1.334 378 I CB -0.231 37.520 38.000 -0.415 0.000 1.040 378 I HN -0.097 nan 8.210 nan 0.000 0.405 379 F N 1.121 121.017 119.950 -0.089 0.000 2.126 379 F HA -0.180 4.347 4.527 0.001 0.000 0.299 379 F C 2.697 178.471 175.800 -0.044 0.000 1.096 379 F CA 1.279 59.242 58.000 -0.061 0.000 1.255 379 F CB -1.120 37.848 39.000 -0.053 0.000 0.997 379 F HN -0.032 nan 8.300 nan 0.000 0.479 380 R N -0.193 120.396 120.500 0.149 0.000 2.073 380 R HA -0.123 4.217 4.340 0.001 0.000 0.234 380 R C 2.593 178.919 176.300 0.045 0.000 1.134 380 R CA 1.280 57.425 56.100 0.075 0.000 0.952 380 R CB -1.160 29.165 30.300 0.042 0.000 0.850 380 R HN 0.391 nan 8.270 nan 0.000 0.433 381 G N 0.989 109.805 108.800 0.026 0.000 2.446 381 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 381 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 381 G C 1.422 176.332 174.900 0.018 0.000 1.168 381 G CA 0.563 45.669 45.100 0.010 0.000 0.771 381 G HN 0.143 nan 8.290 nan 0.000 0.551 382 L N -0.330 120.917 121.223 0.040 0.000 2.083 382 L HA -0.047 4.293 4.340 0.001 0.000 0.209 382 L C 2.955 179.835 176.870 0.017 0.000 1.083 382 L CA 1.333 56.192 54.840 0.032 0.000 0.752 382 L CB -0.325 41.779 42.059 0.076 0.000 0.899 382 L HN 0.190 nan 8.230 nan 0.000 0.433 383 R N 0.172 120.692 120.500 0.034 0.000 2.073 383 R HA -0.198 4.143 4.340 0.001 0.000 0.229 383 R C 2.252 178.556 176.300 0.007 0.000 1.120 383 R CA 1.320 57.432 56.100 0.019 0.000 0.967 383 R CB -0.011 30.301 30.300 0.021 0.000 0.862 383 R HN 0.148 nan 8.270 nan 0.000 0.436 384 E N 0.747 120.953 120.200 0.009 0.000 2.171 384 E HA -0.172 4.179 4.350 0.001 0.000 0.197 384 E C 0.597 177.193 176.600 -0.006 0.000 0.997 384 E CA 1.488 57.889 56.400 0.002 0.000 0.810 384 E CB -0.034 29.669 29.700 0.004 0.000 0.738 384 E HN 0.302 nan 8.360 nan 0.000 0.467 385 N N -0.147 118.546 118.700 -0.012 0.000 2.251 385 N HA 0.012 4.752 4.740 0.001 0.000 0.217 385 N C -0.685 174.798 175.510 -0.045 0.000 1.124 385 N CA 0.295 53.330 53.050 -0.025 0.000 0.843 385 N CB 0.566 39.038 38.487 -0.025 0.000 1.024 385 N HN -0.099 nan 8.380 nan 0.000 0.501 386 R N 0.320 120.795 120.500 -0.041 0.000 3.322 386 R HA -0.186 4.154 4.340 0.001 0.000 0.253 386 R C 0.124 176.324 176.300 -0.168 0.000 0.987 386 R CA 0.738 56.800 56.100 -0.064 0.000 0.666 386 R CB -2.630 27.642 30.300 -0.046 0.000 1.072 386 R HN 0.510 nan 8.270 nan 0.000 0.447 387 R N -0.516 119.876 120.500 -0.180 0.000 2.892 387 R HA 0.636 4.977 4.340 0.001 0.000 0.265 387 R C -0.364 175.781 176.300 -0.258 0.000 1.025 387 R CA -1.108 54.796 56.100 -0.325 0.000 0.982 387 R CB 1.225 31.428 30.300 -0.162 0.000 1.185 387 R HN 0.337 nan 8.270 nan 0.000 0.484 388 H N 0.601 119.660 119.070 -0.018 0.000 2.492 388 H HA 0.370 4.926 4.556 0.001 0.000 0.345 388 H C -2.123 173.192 175.328 -0.021 0.000 1.136 388 H CA -2.552 53.475 56.048 -0.035 0.000 1.202 388 H CB 0.923 30.658 29.762 -0.044 0.000 1.524 388 H HN 0.350 nan 8.280 nan 0.000 0.506 389 P HA 0.292 nan 4.420 nan 0.000 0.276 389 P C -0.395 176.901 177.300 -0.006 0.000 1.244 389 P CA -0.698 62.438 63.100 0.061 0.000 0.801 389 P CB 0.619 32.398 31.700 0.131 0.000 1.006 390 A N 1.189 123.966 122.820 -0.071 0.000 2.445 390 A HA 0.140 4.461 4.320 0.001 0.000 0.242 390 A C 1.886 179.366 177.584 -0.173 0.000 1.075 390 A CA 0.319 52.298 52.037 -0.096 0.000 0.777 390 A CB -0.358 18.594 19.000 -0.081 0.000 1.013 390 A HN 0.554 nan 8.150 nan 0.000 0.493 391 S N 0.301 115.975 115.700 -0.043 0.000 2.374 391 S HA -0.240 4.231 4.470 0.001 0.000 0.227 391 S C 1.795 176.404 174.600 0.016 0.000 1.037 391 S CA 2.426 60.609 58.200 -0.027 0.000 1.024 391 S CB -0.742 62.521 63.200 0.105 0.000 0.861 391 S HN 0.996 nan 8.310 nan 0.000 0.456 392 Y N 0.533 120.921 120.300 0.146 0.000 2.274 392 Y HA 0.052 4.602 4.550 0.001 0.000 0.290 392 Y C 1.964 177.967 175.900 0.171 0.000 1.145 392 Y CA 0.897 59.110 58.100 0.187 0.000 1.203 392 Y CB -0.870 37.682 38.460 0.152 0.000 0.984 392 Y HN 0.243 nan 8.280 nan 0.000 0.533 393 L N 0.348 121.159 121.223 -0.687 0.000 2.056 393 L HA -0.099 4.241 4.340 0.001 0.000 0.207 393 L C 2.413 179.321 176.870 0.064 0.000 1.078 393 L CA 1.217 55.879 54.840 -0.297 0.000 0.749 393 L CB -0.849 40.996 42.059 -0.357 0.000 0.901 393 L HN 0.243 nan 8.230 nan 0.000 0.433 394 V N -0.584 119.315 119.914 -0.025 0.000 2.287 394 V HA -0.341 3.780 4.120 0.001 0.000 0.248 394 V C 2.589 178.623 176.094 -0.100 0.000 1.053 394 V CA 1.934 64.178 62.300 -0.094 0.000 1.027 394 V CB -0.908 30.700 31.823 -0.358 0.000 0.646 394 V HN 0.526 nan 8.190 nan 0.000 0.447 395 H N 0.273 119.375 119.070 0.052 0.000 2.357 395 H HA -0.060 4.497 4.556 0.001 0.000 0.301 395 H C 2.431 177.793 175.328 0.057 0.000 1.082 395 H CA 1.640 57.717 56.048 0.048 0.000 1.342 395 H CB -0.765 29.032 29.762 0.058 0.000 1.389 395 H HN 0.484 nan 8.280 nan 0.000 0.511 396 G N 0.240 109.164 108.800 0.208 0.000 2.418 396 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 396 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 396 G C 2.063 177.006 174.900 0.071 0.000 1.158 396 G CA 0.862 46.056 45.100 0.157 0.000 0.771 396 G HN 0.504 nan 8.290 nan 0.000 0.545 397 G N 0.488 109.345 108.800 0.096 0.000 2.440 397 G HA2 -0.188 3.772 3.960 0.001 0.000 0.218 397 G HA3 -0.188 3.772 3.960 0.001 0.000 0.218 397 G C 1.794 176.697 174.900 0.004 0.000 1.154 397 G CA 1.172 46.315 45.100 0.072 0.000 0.767 397 G HN 0.453 nan 8.290 nan 0.000 0.552 398 K N 0.312 120.726 120.400 0.023 0.000 2.026 398 K HA 0.012 4.332 4.320 0.001 0.000 0.208 398 K C 2.965 179.511 176.600 -0.091 0.000 1.048 398 K CA 1.066 57.339 56.287 -0.023 0.000 0.929 398 K CB -0.215 32.293 32.500 0.014 0.000 0.713 398 K HN 0.274 nan 8.250 nan 0.000 0.439 399 A N 1.066 123.840 122.820 -0.076 0.000 1.930 399 A HA -0.133 4.187 4.320 0.001 0.000 0.217 399 A C 1.998 179.406 177.584 -0.293 0.000 1.175 399 A CA 0.945 52.904 52.037 -0.130 0.000 0.627 399 A CB -0.411 18.552 19.000 -0.060 0.000 0.815 399 A HN 0.185 nan 8.150 nan 0.000 0.443 400 L N 0.472 121.482 121.223 -0.355 0.000 2.012 400 L HA -0.161 4.180 4.340 0.001 0.000 0.210 400 L C 1.996 178.204 176.870 -1.103 0.000 1.073 400 L CA 2.262 56.659 54.840 -0.738 0.000 0.748 400 L CB -0.978 40.697 42.059 -0.640 0.000 0.891 400 L HN 0.420 nan 8.230 nan 0.000 0.431 401 N N -0.895 117.425 118.700 -0.634 0.000 2.244 401 N HA -0.146 4.594 4.740 0.001 0.000 0.183 401 N C 1.878 177.199 175.510 -0.315 0.000 1.016 401 N CA 1.049 53.857 53.050 -0.403 0.000 0.866 401 N CB -0.169 38.255 38.487 -0.106 0.000 0.980 401 N HN 0.353 nan 8.380 nan 0.000 0.430 402 L N -0.229 120.806 121.223 -0.313 0.000 2.017 402 L HA -0.135 4.205 4.340 0.001 0.000 0.208 402 L C 2.272 178.907 176.870 -0.393 0.000 1.073 402 L CA 1.269 55.956 54.840 -0.255 0.000 0.745 402 L CB -0.542 41.402 42.059 -0.192 0.000 0.894 402 L HN 0.174 nan 8.230 nan 0.000 0.432 403 A N 0.029 122.465 122.820 -0.639 0.000 1.883 403 A HA -0.236 4.085 4.320 0.001 0.000 0.217 403 A C 2.004 178.877 177.584 -1.186 0.000 1.186 403 A CA 1.547 52.938 52.037 -1.077 0.000 0.624 403 A CB -0.793 17.391 19.000 -1.360 0.000 0.822 403 A HN 0.291 nan 8.150 nan 0.000 0.444 404 F N 0.232 119.623 119.950 -0.931 0.000 2.091 404 F HA -0.188 4.339 4.527 0.001 0.000 0.299 404 F C 2.545 178.250 175.800 -0.158 0.000 1.103 404 F CA 1.436 59.077 58.000 -0.598 0.000 1.228 404 F CB -1.029 37.743 39.000 -0.381 0.000 0.984 404 F HN 0.208 nan 8.300 nan 0.000 0.477 405 R N -0.004 120.512 120.500 0.026 0.000 2.073 405 R HA -0.093 4.247 4.340 0.001 0.000 0.234 405 R C 2.442 178.757 176.300 0.024 0.000 1.134 405 R CA 1.316 57.448 56.100 0.053 0.000 0.952 405 R CB -0.900 29.405 30.300 0.009 0.000 0.850 405 R HN 0.262 nan 8.270 nan 0.000 0.433 406 A N 0.798 123.558 122.820 -0.101 0.000 1.908 406 A HA -0.167 4.153 4.320 0.001 0.000 0.218 406 A C 1.541 179.156 177.584 0.050 0.000 1.181 406 A CA 1.119 53.119 52.037 -0.061 0.000 0.627 406 A CB -0.706 18.206 19.000 -0.146 0.000 0.818 406 A HN 0.408 nan 8.150 nan 0.000 0.445 407 W N 0.474 121.719 121.300 -0.091 0.000 2.525 407 W HA 0.010 4.671 4.660 0.001 0.000 0.259 407 W C 1.855 178.400 176.519 0.044 0.000 1.253 407 W CA 1.563 58.754 57.345 -0.257 0.000 1.262 407 W CB -1.129 28.272 29.460 -0.098 0.000 1.122 407 W HN 0.562 nan 8.180 nan 0.000 0.607 408 T N -3.246 111.505 114.554 0.328 0.000 3.132 408 T HA 0.311 4.661 4.350 0.001 0.000 0.274 408 T C 0.629 175.432 174.700 0.172 0.000 1.011 408 T CA -0.461 61.799 62.100 0.266 0.000 0.899 408 T CB 0.263 69.298 68.868 0.280 0.000 1.089 408 T HN -0.197 nan 8.240 nan 0.000 0.543 409 R N 1.058 121.648 120.500 0.151 0.000 2.698 409 R HA 0.416 4.756 4.340 0.001 0.000 0.266 409 R C 2.016 178.385 176.300 0.115 0.000 1.026 409 R CA 0.514 56.682 56.100 0.113 0.000 1.102 409 R CB 0.369 30.729 30.300 0.100 0.000 0.978 409 R HN 0.378 nan 8.270 nan 0.000 0.436 410 K N 2.797 123.249 120.400 0.088 0.000 2.089 410 K HA -0.218 4.103 4.320 0.001 0.000 0.210 410 K C 1.536 178.189 176.600 0.088 0.000 1.048 410 K CA 2.235 58.569 56.287 0.078 0.000 0.926 410 K CB -0.686 31.849 32.500 0.059 0.000 0.714 410 K HN 0.846 nan 8.250 nan 0.000 0.448 411 E N -0.856 119.401 120.200 0.094 0.000 2.447 411 E HA 0.242 4.592 4.350 0.001 0.000 0.195 411 E C 1.825 178.503 176.600 0.130 0.000 1.028 411 E CA 0.865 57.322 56.400 0.095 0.000 0.876 411 E CB 0.175 29.923 29.700 0.081 0.000 0.885 411 E HN 0.490 nan 8.360 nan 0.000 0.500 412 A N 1.074 123.996 122.820 0.170 0.000 2.035 412 A HA 0.169 4.490 4.320 0.001 0.000 0.208 412 A C 2.049 179.833 177.584 0.334 0.000 1.206 412 A CA 0.131 52.325 52.037 0.262 0.000 0.773 412 A CB -0.316 18.847 19.000 0.272 0.000 0.878 412 A HN 0.164 nan 8.150 nan 0.000 0.469 413 L N 0.950 122.322 121.223 0.250 0.000 2.034 413 L HA -0.148 4.193 4.340 0.001 0.000 0.217 413 L C -0.856 176.130 176.870 0.193 0.000 1.077 413 L CA 2.699 57.679 54.840 0.233 0.000 0.769 413 L CB -1.243 40.907 42.059 0.152 0.000 0.890 413 L HN 0.163 nan 8.230 nan 0.000 0.435 414 P HA -0.140 nan 4.420 nan 0.000 0.217 414 P C 0.518 177.856 177.300 0.064 0.000 1.148 414 P CA 1.778 64.931 63.100 0.089 0.000 0.828 414 P CB -0.162 31.581 31.700 0.072 0.000 0.783 415 D N -2.851 117.585 120.400 0.059 0.000 2.328 415 D HA -0.004 4.636 4.640 0.001 0.000 0.221 415 D C 1.120 177.191 176.300 -0.381 0.000 1.072 415 D CA 0.597 54.521 54.000 -0.126 0.000 0.850 415 D CB -0.191 40.514 40.800 -0.158 0.000 0.922 415 D HN 0.422 nan 8.370 nan 0.000 0.516 416 H N -0.989 118.120 119.070 0.066 0.000 3.734 416 H HA 0.028 4.584 4.556 0.001 0.000 0.253 416 H C 1.536 176.908 175.328 0.073 0.000 1.072 416 H CA 0.101 56.178 56.048 0.048 0.000 1.147 416 H CB 0.933 30.763 29.762 0.113 0.000 1.495 416 H HN 0.038 nan 8.280 nan 0.000 0.588 417 E N 2.400 122.699 120.200 0.165 0.000 2.130 417 E HA -0.170 4.181 4.350 0.001 0.000 0.196 417 E C 1.601 178.238 176.600 0.062 0.000 0.998 417 E CA 1.978 58.429 56.400 0.085 0.000 0.806 417 E CB -0.082 29.655 29.700 0.060 0.000 0.738 417 E HN 0.506 nan 8.360 nan 0.000 0.459 418 D N 0.023 120.469 120.400 0.077 0.000 2.263 418 D HA -0.195 4.445 4.640 0.001 0.000 0.208 418 D C 1.134 177.570 176.300 0.228 0.000 0.971 418 D CA 0.926 54.993 54.000 0.111 0.000 0.867 418 D CB -0.235 40.615 40.800 0.083 0.000 0.929 418 D HN 0.312 nan 8.370 nan 0.000 0.492 419 E N 0.015 120.305 120.200 0.150 0.000 2.447 419 E HA 0.170 4.521 4.350 0.001 0.000 0.195 419 E C 0.759 177.296 176.600 -0.105 0.000 1.028 419 E CA -0.207 56.244 56.400 0.085 0.000 0.876 419 E CB 0.782 30.505 29.700 0.039 0.000 0.885 419 E HN 0.455 nan 8.360 nan 0.000 0.500 420 I N 3.745 124.245 120.570 -0.116 0.000 2.452 420 I HA 0.082 4.253 4.170 0.001 0.000 0.287 420 I C -2.176 173.755 176.117 -0.311 0.000 1.079 420 I CA -1.939 59.059 61.300 -0.503 0.000 1.387 420 I CB 0.383 37.997 38.000 -0.643 0.000 1.404 420 I HN -0.292 nan 8.210 nan 0.000 0.522 421 P HA 0.003 nan 4.420 nan 0.000 0.268 421 P C 0.328 177.536 177.300 -0.154 0.000 1.204 421 P CA -0.085 62.889 63.100 -0.211 0.000 0.768 421 P CB 0.518 31.885 31.700 -0.555 0.000 0.842 422 E N 1.226 121.419 120.200 -0.011 0.000 2.409 422 E HA -0.091 4.260 4.350 0.001 0.000 0.198 422 E C 1.244 177.801 176.600 -0.073 0.000 1.024 422 E CA 1.284 57.650 56.400 -0.056 0.000 0.861 422 E CB -0.518 29.167 29.700 -0.026 0.000 0.788 422 E HN 0.581 nan 8.360 nan 0.000 0.521 423 T N -2.327 112.190 114.554 -0.063 0.000 3.100 423 T HA 0.118 4.468 4.350 0.001 0.000 0.253 423 T C 0.919 175.555 174.700 -0.107 0.000 1.118 423 T CA -0.124 61.944 62.100 -0.053 0.000 1.058 423 T CB 0.220 69.095 68.868 0.011 0.000 0.953 423 T HN -0.206 nan 8.240 nan 0.000 0.515 424 V N 2.045 121.836 119.914 -0.205 0.000 2.394 424 V HA 0.402 4.522 4.120 0.001 0.000 0.282 424 V C 0.256 176.187 176.094 -0.272 0.000 1.031 424 V CA -0.982 61.157 62.300 -0.268 0.000 0.881 424 V CB 1.169 32.727 31.823 -0.442 0.000 0.982 424 V HN 0.292 nan 8.190 nan 0.000 0.451 425 R N 2.832 123.218 120.500 -0.189 0.000 2.408 425 R HA 0.194 4.534 4.340 0.001 0.000 0.308 425 R C 1.541 177.741 176.300 -0.166 0.000 1.210 425 R CA 0.218 56.224 56.100 -0.156 0.000 1.115 425 R CB 0.791 31.038 30.300 -0.088 0.000 1.127 425 R HN 1.001 nan 8.270 nan 0.000 0.523 426 T N -1.834 112.572 114.554 -0.246 0.000 2.746 426 T HA -0.128 4.222 4.350 0.001 0.000 0.267 426 T C 1.839 176.519 174.700 -0.033 0.000 1.039 426 T CA 1.102 63.067 62.100 -0.225 0.000 1.142 426 T CB -0.071 68.575 68.868 -0.370 0.000 0.866 426 T HN 0.214 nan 8.240 nan 0.000 0.444 427 V N 1.829 121.726 119.914 -0.028 0.000 2.343 427 V HA -0.170 3.951 4.120 0.001 0.000 0.247 427 V C 2.962 179.070 176.094 0.025 0.000 1.051 427 V CA 2.269 64.579 62.300 0.017 0.000 1.036 427 V CB -0.883 30.943 31.823 0.005 0.000 0.654 427 V HN 0.483 nan 8.190 nan 0.000 0.451 428 Q N -0.465 119.336 119.800 0.003 0.000 2.123 428 Q HA -0.141 4.199 4.340 0.001 0.000 0.199 428 Q C 1.947 177.966 176.000 0.031 0.000 0.966 428 Q CA 1.587 57.397 55.803 0.012 0.000 0.845 428 Q CB -0.456 28.280 28.738 -0.004 0.000 0.907 428 Q HN 0.526 nan 8.270 nan 0.000 0.439 429 L N 0.002 121.241 121.223 0.026 0.000 2.012 429 L HA -0.117 4.223 4.340 0.001 0.000 0.210 429 L C 1.920 178.866 176.870 0.127 0.000 1.073 429 L CA 1.766 56.642 54.840 0.060 0.000 0.748 429 L CB -0.608 41.469 42.059 0.030 0.000 0.891 429 L HN 0.379 nan 8.230 nan 0.000 0.431 430 I N -0.473 120.187 120.570 0.150 0.000 2.179 430 I HA -0.320 3.851 4.170 0.001 0.000 0.242 430 I C 2.614 178.803 176.117 0.120 0.000 1.088 430 I CA 1.685 63.098 61.300 0.188 0.000 1.357 430 I CB -0.454 37.659 38.000 0.189 0.000 1.051 430 I HN 0.330 nan 8.210 nan 0.000 0.409 431 K N 0.861 121.311 120.400 0.083 0.000 2.032 431 K HA -0.236 4.084 4.320 0.001 0.000 0.209 431 K C 1.691 178.326 176.600 0.058 0.000 1.048 431 K CA 2.059 58.381 56.287 0.058 0.000 0.927 431 K CB -0.049 32.475 32.500 0.041 0.000 0.712 431 K HN 0.216 nan 8.250 nan 0.000 0.441 432 D N 0.740 121.178 120.400 0.064 0.000 2.117 432 D HA -0.147 4.493 4.640 0.001 0.000 0.198 432 D C 1.863 178.216 176.300 0.089 0.000 0.982 432 D CA 0.584 54.622 54.000 0.064 0.000 0.828 432 D CB -0.186 40.650 40.800 0.059 0.000 0.967 432 D HN 0.103 nan 8.370 nan 0.000 0.464 433 L N 1.178 122.472 121.223 0.119 0.000 2.012 433 L HA -0.095 4.245 4.340 0.001 0.000 0.210 433 L C 2.239 179.177 176.870 0.114 0.000 1.073 433 L CA 1.531 56.466 54.840 0.157 0.000 0.748 433 L CB -1.226 40.943 42.059 0.184 0.000 0.891 433 L HN -0.031 nan 8.230 nan 0.000 0.431 434 A N -0.714 122.152 122.820 0.077 0.000 1.883 434 A HA -0.273 4.047 4.320 0.001 0.000 0.217 434 A C 2.541 180.131 177.584 0.010 0.000 1.186 434 A CA 1.932 53.991 52.037 0.036 0.000 0.624 434 A CB -0.606 18.413 19.000 0.032 0.000 0.822 434 A HN 0.457 nan 8.150 nan 0.000 0.444 435 R N -0.487 120.025 120.500 0.019 0.000 2.070 435 R HA -0.160 4.180 4.340 0.001 0.000 0.233 435 R C 2.038 178.324 176.300 -0.022 0.000 1.137 435 R CA 1.716 57.816 56.100 0.001 0.000 0.945 435 R CB -0.288 30.019 30.300 0.012 0.000 0.845 435 R HN 0.489 nan 8.270 nan 0.000 0.430 436 E N 0.577 120.777 120.200 0.000 0.000 2.118 436 E HA -0.213 4.137 4.350 0.001 0.000 0.195 436 E C 2.086 178.560 176.600 -0.210 0.000 0.992 436 E CA 1.309 57.681 56.400 -0.047 0.000 0.804 436 E CB -0.227 29.529 29.700 0.094 0.000 0.741 436 E HN 0.504 nan 8.360 nan 0.000 0.458 437 I N 0.604 121.070 120.570 -0.173 0.000 2.315 437 I HA -0.242 3.929 4.170 0.001 0.000 0.248 437 I C 2.575 178.574 176.117 -0.197 0.000 1.117 437 I CA 0.928 62.073 61.300 -0.258 0.000 1.404 437 I CB -0.164 37.764 38.000 -0.121 0.000 1.071 437 I HN -0.003 nan 8.210 nan 0.000 0.419 438 R N 0.580 121.008 120.500 -0.120 0.000 2.096 438 R HA -0.081 4.259 4.340 0.001 0.000 0.235 438 R C 1.924 178.159 176.300 -0.109 0.000 1.127 438 R CA 1.095 57.138 56.100 -0.096 0.000 0.968 438 R CB -0.269 29.996 30.300 -0.059 0.000 0.861 438 R HN 0.348 nan 8.270 nan 0.000 0.440 439 L N 0.554 121.707 121.223 -0.118 0.000 2.675 439 L HA -0.012 4.328 4.340 0.001 0.000 0.239 439 L C 1.065 177.845 176.870 -0.149 0.000 1.151 439 L CA 0.203 54.977 54.840 -0.110 0.000 0.905 439 L CB 0.383 42.391 42.059 -0.085 0.000 1.057 439 L HN 0.003 nan 8.230 nan 0.000 0.435 440 V N -1.810 117.981 119.914 -0.205 0.000 3.411 440 V HA 0.076 4.196 4.120 0.001 0.000 0.287 440 V C 0.590 176.548 176.094 -0.226 0.000 1.543 440 V CA -0.169 61.984 62.300 -0.246 0.000 1.028 440 V CB 0.702 32.294 31.823 -0.385 0.000 0.840 440 V HN 0.295 nan 8.190 nan 0.000 0.435 441 E N 1.816 121.904 120.200 -0.187 0.000 2.290 441 E HA 0.445 4.795 4.350 0.001 0.000 0.277 441 E C 0.603 177.131 176.600 -0.122 0.000 1.035 441 E CA 0.691 57.003 56.400 -0.148 0.000 0.873 441 E CB 0.282 29.913 29.700 -0.116 0.000 1.029 441 E HN 0.526 nan 8.360 nan 0.000 0.419 442 D N 0.000 120.331 120.400 -0.115 0.000 6.856 442 D HA 0.000 4.640 4.640 0.001 0.000 0.175 442 D CA 0.000 53.939 54.000 -0.101 0.000 0.868 442 D CB 0.000 40.759 40.800 -0.069 0.000 0.688 442 D HN 0.000 nan 8.370 nan 0.000 0.683