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 3fho_1_B DATA FIRST_RESID 12 DATA SEQUENCE ????XXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXKIQ EKALPLLLSN PPRNMIGQSQ DATA SEQUENCE SGTGKTAAFA LTMLSRVDAS VPKPQAICLA PSRELARQIM DVVTEMGKYT DATA SEQUENCE EVKTAFXXXX XXXXXXKIDA QIVIGTPGTV MDLMKRRQLD ARDIKVFVLD DATA SEQUENCE EADNMLDQXX LGDQSMRIKH LLPRNTQIVL FSATFSERVE KYAERFAPNA DATA SEQUENCE NEIRLKTEEX XXXGIKQLYM DCQSEEHKYN VLVELYGXXT IGQSIIFCKK DATA SEQUENCE KDTAEEIARR MTADGHTVAC LTXXXXXAQR DAIMDSFRVG TSKVLVTTNX DATA SEQUENCE XXXXIDVSQV NLVVNXXXXL DXXXXXDPQT YLHRIGRTGX XXXVGVSINF DATA SEQUENCE VHDKKSWEEM NAIQEYFQRP 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 12 ? HA 0.000 nan 9999.000 nan 0.000 0.000 12 ? C 0.000 9998.980 9999.000 -0.026 0.000 0.000 12 ? CA 0.000 9998.990 9999.000 -0.018 0.000 0.000 12 ? CB 0.000 9998.990 9999.000 -0.012 0.000 0.000 140 I N 0.863 121.409 120.570 -0.040 0.000 3.319 140 I HA -0.303 3.867 4.170 -0.000 0.000 0.154 140 I C 0.251 176.349 176.117 -0.031 0.000 0.970 140 I CA 1.653 62.927 61.300 -0.043 0.000 2.665 140 I CB -0.653 37.333 38.000 -0.024 0.000 1.079 140 I HN 0.870 nan 8.210 nan 0.000 0.386 141 Q N 0.132 119.914 119.800 -0.031 0.000 2.429 141 Q HA -0.248 4.092 4.340 -0.000 0.000 0.365 141 Q C 0.973 176.979 176.000 0.010 0.000 1.384 141 Q CA 1.301 57.102 55.803 -0.004 0.000 1.089 141 Q CB -0.607 28.135 28.738 0.006 0.000 1.264 141 Q HN 0.601 nan 8.270 nan 0.000 0.342 142 E N 0.224 120.428 120.200 0.007 0.000 2.253 142 E HA -0.289 4.061 4.350 -0.000 0.000 0.202 142 E C 1.429 178.039 176.600 0.018 0.000 1.014 142 E CA 1.700 58.107 56.400 0.011 0.000 0.823 142 E CB 0.079 29.784 29.700 0.008 0.000 0.736 142 E HN 0.514 nan 8.360 nan 0.000 0.478 143 K N -0.350 120.064 120.400 0.023 0.000 2.098 143 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 143 K C 1.851 178.475 176.600 0.039 0.000 1.051 143 K CA 0.876 57.179 56.287 0.028 0.000 0.957 143 K CB 0.016 32.533 32.500 0.027 0.000 0.738 143 K HN 0.113 nan 8.250 nan 0.000 0.447 144 A N 1.502 124.356 122.820 0.056 0.000 1.822 144 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 144 A C 1.834 179.461 177.584 0.071 0.000 1.245 144 A CA 1.338 53.424 52.037 0.083 0.000 0.608 144 A CB -1.114 17.971 19.000 0.141 0.000 0.896 144 A HN 0.333 nan 8.150 nan 0.000 0.457 145 L N -0.549 120.713 121.223 0.065 0.000 2.411 145 L HA -0.328 4.012 4.340 -0.000 0.000 0.234 145 L C -0.560 176.341 176.870 0.051 0.000 1.140 145 L CA 2.698 57.571 54.840 0.054 0.000 0.850 145 L CB -1.814 40.265 42.059 0.034 0.000 0.970 145 L HN 0.326 nan 8.230 nan 0.000 0.441 146 P HA -0.104 nan 4.420 nan 0.000 0.228 146 P C 1.507 178.828 177.300 0.035 0.000 1.151 146 P CA 1.239 64.359 63.100 0.033 0.000 0.770 146 P CB 0.071 31.786 31.700 0.025 0.000 0.786 147 L N -2.611 118.638 121.223 0.043 0.000 2.554 147 L HA 0.104 4.444 4.340 -0.000 0.000 0.225 147 L C 1.569 178.472 176.870 0.054 0.000 1.104 147 L CA 0.216 55.080 54.840 0.041 0.000 0.866 147 L CB -0.213 41.867 42.059 0.035 0.000 1.047 147 L HN -0.052 nan 8.230 nan 0.000 0.468 148 L N -1.397 119.870 121.223 0.073 0.000 2.357 148 L HA 0.030 4.370 4.340 -0.000 0.000 0.211 148 L C 1.966 178.881 176.870 0.074 0.000 1.075 148 L CA 0.651 55.547 54.840 0.092 0.000 0.830 148 L CB -0.233 41.908 42.059 0.136 0.000 0.996 148 L HN 0.068 nan 8.230 nan 0.000 0.467 149 L N -1.021 120.239 121.223 0.062 0.000 2.023 149 L HA 0.065 4.404 4.340 -0.000 0.000 0.205 149 L C 1.427 178.321 176.870 0.039 0.000 1.073 149 L CA 0.815 55.685 54.840 0.050 0.000 0.745 149 L CB -1.065 41.020 42.059 0.044 0.000 0.900 149 L HN 0.080 nan 8.230 nan 0.000 0.435 150 S N 0.377 116.097 115.700 0.034 0.000 2.540 150 S HA -0.032 4.438 4.470 -0.000 0.000 0.272 150 S C 0.184 174.799 174.600 0.024 0.000 1.357 150 S CA 0.256 58.472 58.200 0.026 0.000 1.011 150 S CB -0.083 63.130 63.200 0.023 0.000 0.852 150 S HN 0.423 nan 8.310 nan 0.000 0.535 151 N N 0.512 119.223 118.700 0.019 0.000 2.277 151 N HA 0.509 5.249 4.740 -0.000 0.000 0.286 151 N C -2.947 172.570 175.510 0.012 0.000 1.140 151 N CA -1.214 51.846 53.050 0.016 0.000 0.799 151 N CB 0.690 39.187 38.487 0.016 0.000 1.596 151 N HN 0.347 nan 8.380 nan 0.000 0.473 152 P HA 0.359 nan 4.420 nan 0.000 0.275 152 P C -2.697 174.610 177.300 0.011 0.000 1.227 152 P CA -1.030 62.076 63.100 0.010 0.000 0.781 152 P CB -0.237 31.466 31.700 0.006 0.000 0.906 153 P HA 0.236 nan 4.420 nan 0.000 0.270 153 P C -0.449 176.858 177.300 0.012 0.000 1.223 153 P CA -0.008 63.103 63.100 0.018 0.000 0.785 153 P CB 0.709 32.422 31.700 0.023 0.000 0.923 154 R N 1.272 121.781 120.500 0.014 0.000 2.548 154 R HA 0.299 4.639 4.340 -0.000 0.000 0.280 154 R C -0.365 175.939 176.300 0.006 0.000 1.061 154 R CA -0.919 55.184 56.100 0.005 0.000 0.915 154 R CB 1.285 31.587 30.300 0.004 0.000 1.210 154 R HN 0.398 nan 8.270 nan 0.000 0.442 155 N N 2.009 120.703 118.700 -0.009 0.000 2.239 155 N HA -0.015 4.725 4.740 -0.000 0.000 0.225 155 N C -0.130 175.373 175.510 -0.013 0.000 1.283 155 N CA 0.721 53.760 53.050 -0.018 0.000 0.868 155 N CB 0.431 38.892 38.487 -0.044 0.000 1.098 155 N HN 0.409 nan 8.380 nan 0.000 0.436 156 M N 0.835 120.426 119.600 -0.015 0.000 2.520 156 M HA 0.478 4.957 4.480 -0.000 0.000 0.283 156 M C -1.500 174.754 176.300 -0.076 0.000 1.237 156 M CA -0.457 54.821 55.300 -0.037 0.000 0.885 156 M CB 2.088 34.689 32.600 0.000 0.000 1.727 156 M HN 0.387 nan 8.290 nan 0.000 0.468 157 I N 1.371 121.854 120.570 -0.145 0.000 2.571 157 I HA 0.551 4.721 4.170 -0.000 0.000 0.286 157 I C -0.242 175.699 176.117 -0.292 0.000 1.134 157 I CA -0.466 60.727 61.300 -0.177 0.000 1.052 157 I CB 2.276 40.224 38.000 -0.086 0.000 1.237 157 I HN 0.756 nan 8.210 nan 0.000 0.435 158 G N 4.735 113.220 108.800 -0.526 0.000 2.563 158 G HA2 0.589 4.549 3.960 -0.000 0.000 0.302 158 G HA3 0.589 4.549 3.960 -0.000 0.000 0.302 158 G C -1.432 173.494 174.900 0.044 0.000 1.301 158 G CA -0.484 44.382 45.100 -0.390 0.000 0.965 158 G HN 0.430 nan 8.290 nan 0.000 0.480 159 Q N 0.244 120.172 119.800 0.214 0.000 2.278 159 Q HA 0.564 4.903 4.340 -0.000 0.000 0.257 159 Q C -0.565 175.622 176.000 0.312 0.000 0.928 159 Q CA -0.350 55.671 55.803 0.363 0.000 0.932 159 Q CB 1.841 30.752 28.738 0.289 0.000 1.221 159 Q HN 0.461 nan 8.270 nan 0.000 0.434 160 S N 1.933 117.822 115.700 0.315 0.000 2.537 160 S HA 0.235 4.705 4.470 -0.000 0.000 0.271 160 S C -0.890 173.769 174.600 0.097 0.000 1.148 160 S CA -0.701 57.611 58.200 0.186 0.000 0.868 160 S CB 1.481 64.773 63.200 0.152 0.000 1.115 160 S HN 0.450 nan 8.310 nan 0.000 0.461 161 Q N 1.274 121.101 119.800 0.045 0.000 2.700 161 Q HA 0.419 4.759 4.340 -0.000 0.000 0.191 161 Q C -0.316 175.672 176.000 -0.020 0.000 1.134 161 Q CA 0.098 55.910 55.803 0.014 0.000 1.193 161 Q CB 0.327 29.070 28.738 0.009 0.000 1.250 161 Q HN 0.696 nan 8.270 nan 0.000 0.670 162 S N -0.908 114.780 115.700 -0.020 0.000 2.596 162 S HA 0.679 5.149 4.470 -0.000 0.000 0.318 162 S C 0.147 174.727 174.600 -0.033 0.000 1.097 162 S CA -0.147 58.034 58.200 -0.032 0.000 1.080 162 S CB 1.519 64.710 63.200 -0.015 0.000 0.991 162 S HN 0.711 nan 8.310 nan 0.000 0.471 163 G N 1.432 110.202 108.800 -0.050 0.000 2.683 163 G HA2 0.219 4.179 3.960 -0.000 0.000 0.149 163 G HA3 0.219 4.179 3.960 -0.000 0.000 0.149 163 G C 0.144 174.975 174.900 -0.115 0.000 1.467 163 G CA 0.101 45.149 45.100 -0.087 0.000 0.806 163 G HN 0.810 nan 8.290 nan 0.000 0.709 164 T N 0.213 114.711 114.554 -0.093 0.000 2.567 164 T HA 0.282 4.632 4.350 -0.000 0.000 0.218 164 T C 1.564 176.210 174.700 -0.089 0.000 1.017 164 T CA 1.265 63.313 62.100 -0.088 0.000 1.161 164 T CB 0.068 68.905 68.868 -0.053 0.000 1.010 164 T HN 2.332 nan 8.240 nan 0.000 0.447 165 G N 2.813 111.552 108.800 -0.102 0.000 2.527 165 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 165 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 165 G C 0.809 175.591 174.900 -0.198 0.000 1.177 165 G CA 0.767 45.800 45.100 -0.112 0.000 0.695 165 G HN 0.910 nan 8.290 nan 0.000 0.517 166 K N 0.747 120.973 120.400 -0.289 0.000 2.161 166 K HA 0.070 4.390 4.320 -0.000 0.000 0.205 166 K C 2.816 178.904 176.600 -0.853 0.000 1.035 166 K CA 2.046 57.990 56.287 -0.571 0.000 0.970 166 K CB -0.670 31.509 32.500 -0.536 0.000 0.866 166 K HN 0.540 nan 8.250 nan 0.000 0.461 167 T N -0.257 113.986 114.554 -0.519 0.000 2.833 167 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 167 T C 2.100 176.720 174.700 -0.134 0.000 1.054 167 T CA 1.283 63.233 62.100 -0.250 0.000 1.135 167 T CB -0.398 68.465 68.868 -0.009 0.000 0.869 167 T HN 0.218 nan 8.240 nan 0.000 0.466 168 A N 2.176 124.904 122.820 -0.153 0.000 1.883 168 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 168 A C 2.836 180.374 177.584 -0.076 0.000 1.186 168 A CA 2.079 54.068 52.037 -0.080 0.000 0.624 168 A CB -1.448 17.505 19.000 -0.078 0.000 0.822 168 A HN 0.778 nan 8.150 nan 0.000 0.444 169 A N -1.500 121.209 122.820 -0.185 0.000 2.015 169 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 169 A C 1.859 179.438 177.584 -0.008 0.000 1.163 169 A CA 1.345 53.306 52.037 -0.127 0.000 0.646 169 A CB -0.639 18.241 19.000 -0.199 0.000 0.806 169 A HN 0.418 nan 8.150 nan 0.000 0.448 170 F N 0.255 120.169 119.950 -0.059 0.000 2.075 170 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 170 F C 2.820 178.624 175.800 0.006 0.000 1.113 170 F CA 0.424 58.410 58.000 -0.025 0.000 1.218 170 F CB -1.215 37.752 39.000 -0.054 0.000 0.984 170 F HN 0.272 nan 8.300 nan 0.000 0.472 171 A N 0.030 122.974 122.820 0.206 0.000 1.877 171 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 171 A C 2.201 179.841 177.584 0.093 0.000 1.186 171 A CA 1.379 53.488 52.037 0.121 0.000 0.620 171 A CB -1.106 17.938 19.000 0.074 0.000 0.822 171 A HN 0.238 nan 8.150 nan 0.000 0.443 172 L N 0.512 121.781 121.223 0.076 0.000 2.013 172 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 172 L C 3.025 179.940 176.870 0.075 0.000 1.073 172 L CA 2.716 57.594 54.840 0.062 0.000 0.753 172 L CB -1.536 40.551 42.059 0.047 0.000 0.890 172 L HN 0.702 nan 8.230 nan 0.000 0.432 173 T N -4.665 109.950 114.554 0.102 0.000 2.857 173 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 173 T C 1.947 176.702 174.700 0.092 0.000 1.048 173 T CA 1.023 63.184 62.100 0.102 0.000 1.139 173 T CB -0.296 68.654 68.868 0.137 0.000 0.874 173 T HN 0.184 nan 8.240 nan 0.000 0.455 174 M N 0.621 120.281 119.600 0.100 0.000 2.117 174 M HA 0.068 4.548 4.480 -0.000 0.000 0.262 174 M C 2.387 178.724 176.300 0.061 0.000 1.065 174 M CA 1.517 56.864 55.300 0.079 0.000 1.114 174 M CB -0.593 32.054 32.600 0.079 0.000 1.361 174 M HN 0.241 nan 8.290 nan 0.000 0.408 175 L N -0.385 120.873 121.223 0.059 0.000 2.046 175 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 175 L C 2.600 179.496 176.870 0.044 0.000 1.077 175 L CA 1.669 56.537 54.840 0.047 0.000 0.747 175 L CB -0.694 41.391 42.059 0.043 0.000 0.896 175 L HN 0.411 nan 8.230 nan 0.000 0.432 176 S N -1.263 114.466 115.700 0.048 0.000 2.603 176 S HA 0.020 4.490 4.470 -0.000 0.000 0.220 176 S C 1.798 176.422 174.600 0.039 0.000 0.967 176 S CA 0.014 58.239 58.200 0.042 0.000 0.920 176 S CB 0.037 63.263 63.200 0.043 0.000 0.773 176 S HN 0.337 nan 8.310 nan 0.000 0.529 177 R N -0.137 120.388 120.500 0.042 0.000 2.287 177 R HA 0.373 4.713 4.340 -0.000 0.000 0.197 177 R C 0.367 176.686 176.300 0.032 0.000 0.900 177 R CA 0.153 56.276 56.100 0.038 0.000 1.052 177 R CB 0.140 30.468 30.300 0.047 0.000 1.117 177 R HN 0.406 nan 8.270 nan 0.000 0.568 178 V N 2.060 121.994 119.914 0.033 0.000 2.785 178 V HA 0.162 4.282 4.120 -0.000 0.000 0.300 178 V C -0.916 175.193 176.094 0.024 0.000 1.062 178 V CA -0.354 61.963 62.300 0.028 0.000 1.029 178 V CB 1.728 33.569 31.823 0.030 0.000 1.024 178 V HN 0.049 nan 8.190 nan 0.000 0.477 179 D N 3.753 124.164 120.400 0.020 0.000 2.471 179 D HA 0.530 5.170 4.640 -0.000 0.000 0.245 179 D C 0.674 176.984 176.300 0.017 0.000 1.116 179 D CA 0.164 54.175 54.000 0.018 0.000 0.853 179 D CB 1.745 42.554 40.800 0.015 0.000 1.123 179 D HN 0.629 nan 8.370 nan 0.000 0.540 180 A N 2.813 125.644 122.820 0.019 0.000 2.032 180 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 180 A C 2.050 179.644 177.584 0.015 0.000 1.165 180 A CA 1.887 53.935 52.037 0.018 0.000 0.645 180 A CB -0.252 18.760 19.000 0.021 0.000 0.807 180 A HN 0.552 nan 8.150 nan 0.000 0.453 181 S N -0.664 115.045 115.700 0.014 0.000 2.368 181 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 181 S C 0.832 175.438 174.600 0.010 0.000 1.029 181 S CA 0.843 59.050 58.200 0.012 0.000 0.988 181 S CB -0.512 62.695 63.200 0.011 0.000 0.838 181 S HN 0.328 nan 8.310 nan 0.000 0.462 182 V N 4.036 123.956 119.914 0.010 0.000 2.479 182 V HA 0.144 4.264 4.120 -0.000 0.000 0.281 182 V C -2.193 173.906 176.094 0.008 0.000 1.031 182 V CA -1.211 61.094 62.300 0.008 0.000 1.038 182 V CB 0.284 32.111 31.823 0.007 0.000 0.981 182 V HN 0.179 nan 8.190 nan 0.000 0.478 183 P HA 0.251 nan 4.420 nan 0.000 0.243 183 P C -0.243 177.060 177.300 0.005 0.000 1.668 183 P CA 0.023 63.127 63.100 0.007 0.000 0.898 183 P CB 0.124 31.828 31.700 0.006 0.000 1.637 184 K N 0.638 121.040 120.400 0.004 0.000 2.328 184 K HA 0.544 4.864 4.320 -0.000 0.000 0.246 184 K C -2.785 173.816 176.600 0.001 0.000 0.955 184 K CA -2.751 53.537 56.287 0.001 0.000 0.817 184 K CB 0.521 33.020 32.500 -0.002 0.000 1.208 184 K HN -0.231 nan 8.250 nan 0.000 0.432 185 P HA 0.056 nan 4.420 nan 0.000 0.264 185 P C -0.680 176.617 177.300 -0.005 0.000 1.193 185 P CA 0.357 63.455 63.100 -0.003 0.000 0.763 185 P CB 0.544 32.237 31.700 -0.012 0.000 0.810 186 Q N 1.484 121.286 119.800 0.003 0.000 2.113 186 Q HA 0.467 4.807 4.340 -0.000 0.000 0.225 186 Q C -0.338 175.670 176.000 0.015 0.000 0.786 186 Q CA -0.158 55.648 55.803 0.005 0.000 0.989 186 Q CB 1.056 29.801 28.738 0.011 0.000 1.174 186 Q HN 0.484 nan 8.270 nan 0.000 0.470 187 A N 1.245 124.078 122.820 0.021 0.000 2.513 187 A HA 0.674 4.994 4.320 -0.000 0.000 0.296 187 A C -1.451 176.164 177.584 0.051 0.000 1.052 187 A CA -0.476 51.588 52.037 0.044 0.000 0.714 187 A CB 1.179 20.209 19.000 0.050 0.000 1.279 187 A HN 0.179 nan 8.150 nan 0.000 0.397 188 I N 1.483 122.108 120.570 0.092 0.000 2.533 188 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 188 I C -0.733 175.526 176.117 0.238 0.000 1.056 188 I CA -0.542 60.829 61.300 0.119 0.000 1.057 188 I CB 1.938 39.956 38.000 0.030 0.000 1.240 188 I HN 0.731 nan 8.210 nan 0.000 0.423 189 C N 8.559 127.944 119.300 0.142 0.000 2.364 189 C HA 0.786 5.246 4.460 -0.000 0.000 0.324 189 C C -0.767 174.256 174.990 0.055 0.000 1.234 189 C CA -0.420 58.635 59.018 0.061 0.000 1.417 189 C CB 0.113 27.821 27.740 -0.054 0.000 2.101 189 C HN 0.631 nan 8.230 nan 0.000 0.466 190 L N 5.018 126.264 121.223 0.038 0.000 2.342 190 L HA 1.028 5.368 4.340 -0.000 0.000 0.271 190 L C 0.127 176.970 176.870 -0.045 0.000 1.008 190 L CA -0.477 54.376 54.840 0.022 0.000 0.818 190 L CB 1.128 43.245 42.059 0.097 0.000 1.296 190 L HN 0.790 nan 8.230 nan 0.000 0.427 191 A N 1.680 124.486 122.820 -0.023 0.000 2.386 191 A HA 0.926 5.246 4.320 -0.000 0.000 0.308 191 A C -2.177 175.393 177.584 -0.023 0.000 1.128 191 A CA -1.655 50.368 52.037 -0.023 0.000 0.789 191 A CB 1.279 20.283 19.000 0.007 0.000 1.325 191 A HN 0.628 nan 8.150 nan 0.000 0.437 192 P HA -0.047 nan 4.420 nan 0.000 0.220 192 P C 0.524 177.809 177.300 -0.024 0.000 1.148 192 P CA 1.809 64.886 63.100 -0.038 0.000 0.803 192 P CB 0.241 31.917 31.700 -0.041 0.000 0.782 193 S N -2.393 113.302 115.700 -0.007 0.000 2.627 193 S HA 0.408 4.877 4.470 -0.000 0.000 0.283 193 S C 0.830 175.446 174.600 0.026 0.000 1.127 193 S CA -0.861 57.341 58.200 0.004 0.000 0.863 193 S CB 1.640 64.846 63.200 0.009 0.000 1.121 193 S HN -0.223 nan 8.310 nan 0.000 0.479 194 R N 0.802 121.322 120.500 0.033 0.000 2.093 194 R HA 0.042 4.382 4.340 -0.000 0.000 0.224 194 R C 1.909 178.306 176.300 0.162 0.000 1.101 194 R CA 1.412 57.564 56.100 0.087 0.000 0.979 194 R CB -0.261 30.076 30.300 0.062 0.000 0.877 194 R HN 0.895 nan 8.270 nan 0.000 0.441 195 E N 0.989 121.247 120.200 0.096 0.000 2.472 195 E HA -0.140 4.210 4.350 -0.000 0.000 0.200 195 E C 1.552 178.191 176.600 0.065 0.000 1.046 195 E CA 0.811 57.257 56.400 0.077 0.000 0.871 195 E CB 0.003 29.729 29.700 0.044 0.000 0.806 195 E HN 0.366 nan 8.360 nan 0.000 0.533 196 L N 0.366 121.631 121.223 0.070 0.000 2.269 196 L HA 0.162 4.502 4.340 -0.000 0.000 0.200 196 L C 2.652 179.577 176.870 0.093 0.000 1.069 196 L CA 0.694 55.571 54.840 0.061 0.000 0.804 196 L CB -0.247 41.837 42.059 0.040 0.000 0.987 196 L HN 0.149 nan 8.230 nan 0.000 0.468 197 A N 0.460 123.361 122.820 0.134 0.000 1.908 197 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 197 A C 2.276 180.025 177.584 0.275 0.000 1.181 197 A CA 2.015 54.169 52.037 0.195 0.000 0.627 197 A CB -0.509 18.607 19.000 0.193 0.000 0.818 197 A HN 0.290 nan 8.150 nan 0.000 0.445 198 R N 0.017 120.706 120.500 0.314 0.000 2.152 198 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 198 R C 2.105 178.382 176.300 -0.039 0.000 1.117 198 R CA 1.927 58.033 56.100 0.009 0.000 0.981 198 R CB -0.670 29.582 30.300 -0.080 0.000 0.870 198 R HN 0.702 nan 8.270 nan 0.000 0.451 199 Q N -0.350 119.465 119.800 0.025 0.000 2.046 199 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 199 Q C 2.088 178.101 176.000 0.022 0.000 0.975 199 Q CA 1.834 57.644 55.803 0.011 0.000 0.836 199 Q CB -0.071 28.681 28.738 0.024 0.000 0.896 199 Q HN 0.406 nan 8.270 nan 0.000 0.428 200 I N 0.281 120.886 120.570 0.058 0.000 2.286 200 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 200 I C 2.436 178.585 176.117 0.053 0.000 1.115 200 I CA 0.568 61.912 61.300 0.074 0.000 1.392 200 I CB -0.225 37.832 38.000 0.095 0.000 1.065 200 I HN 0.303 nan 8.210 nan 0.000 0.418 201 M N 1.609 121.238 119.600 0.048 0.000 2.255 201 M HA -0.296 4.184 4.480 -0.000 0.000 0.260 201 M C 1.735 178.015 176.300 -0.034 0.000 1.069 201 M CA 2.074 57.378 55.300 0.007 0.000 1.089 201 M CB -0.744 31.794 32.600 -0.102 0.000 1.269 201 M HN 0.085 nan 8.290 nan 0.000 0.434 202 D N -0.522 119.837 120.400 -0.069 0.000 2.149 202 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 202 D C 2.151 178.427 176.300 -0.040 0.000 1.001 202 D CA 1.816 55.775 54.000 -0.067 0.000 0.849 202 D CB -0.662 40.097 40.800 -0.070 0.000 0.939 202 D HN 0.326 nan 8.370 nan 0.000 0.449 203 V N 0.258 120.162 119.914 -0.017 0.000 2.270 203 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 203 V C 2.628 178.719 176.094 -0.005 0.000 1.043 203 V CA 1.113 63.409 62.300 -0.008 0.000 1.014 203 V CB -0.376 31.454 31.823 0.012 0.000 0.645 203 V HN 0.057 nan 8.190 nan 0.000 0.447 204 V N -0.430 119.492 119.914 0.013 0.000 2.252 204 V HA -0.338 3.781 4.120 -0.000 0.000 0.249 204 V C 2.555 178.642 176.094 -0.012 0.000 1.056 204 V CA 2.830 65.141 62.300 0.017 0.000 1.022 204 V CB -1.130 30.715 31.823 0.035 0.000 0.641 204 V HN 0.595 nan 8.190 nan 0.000 0.445 205 T N -0.875 113.663 114.554 -0.027 0.000 2.746 205 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 205 T C 1.932 176.584 174.700 -0.081 0.000 1.039 205 T CA 1.793 63.863 62.100 -0.050 0.000 1.142 205 T CB -0.229 68.604 68.868 -0.058 0.000 0.866 205 T HN 0.531 nan 8.240 nan 0.000 0.444 206 E N 1.085 121.240 120.200 -0.075 0.000 2.204 206 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 206 E C 1.960 178.495 176.600 -0.109 0.000 0.990 206 E CA 0.979 57.322 56.400 -0.096 0.000 0.821 206 E CB -0.165 29.495 29.700 -0.066 0.000 0.750 206 E HN 0.733 nan 8.360 nan 0.000 0.477 207 M N -3.807 115.752 119.600 -0.069 0.000 2.421 207 M HA 0.380 4.860 4.480 -0.000 0.000 0.258 207 M C 1.780 178.053 176.300 -0.045 0.000 1.122 207 M CA 0.820 56.090 55.300 -0.051 0.000 1.078 207 M CB 0.490 33.082 32.600 -0.012 0.000 1.380 207 M HN -0.016 nan 8.290 nan 0.000 0.499 208 G N 1.417 110.189 108.800 -0.046 0.000 2.882 208 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.206 208 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.206 208 G C 1.383 176.228 174.900 -0.091 0.000 1.155 208 G CA 0.161 45.239 45.100 -0.037 0.000 0.800 208 G HN 0.523 nan 8.290 nan 0.000 0.524 209 K N -0.234 120.044 120.400 -0.203 0.000 2.044 209 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 209 K C 0.948 177.327 176.600 -0.368 0.000 1.049 209 K CA 1.118 57.173 56.287 -0.387 0.000 0.927 209 K CB -0.170 31.910 32.500 -0.700 0.000 0.713 209 K HN 0.434 nan 8.250 nan 0.000 0.443 210 Y N 0.391 120.695 120.300 0.007 0.000 2.495 210 Y HA 0.123 4.673 4.550 -0.000 0.000 0.293 210 Y C 0.906 176.811 175.900 0.008 0.000 1.186 210 Y CA 0.015 58.118 58.100 0.006 0.000 1.266 210 Y CB 0.024 38.487 38.460 0.005 0.000 1.101 210 Y HN -0.026 nan 8.280 nan 0.000 0.517 211 T N -1.100 113.508 114.554 0.089 0.000 2.889 211 T HA 0.238 4.588 4.350 -0.000 0.000 0.278 211 T C 0.694 175.420 174.700 0.043 0.000 0.995 211 T CA -0.407 61.732 62.100 0.065 0.000 0.966 211 T CB 1.529 70.423 68.868 0.044 0.000 1.237 211 T HN 0.100 nan 8.240 nan 0.000 0.591 212 E N 0.275 120.496 120.200 0.036 0.000 2.444 212 E HA 0.269 4.619 4.350 -0.000 0.000 0.191 212 E C -0.395 176.217 176.600 0.021 0.000 1.041 212 E CA -0.079 56.338 56.400 0.028 0.000 0.883 212 E CB -0.125 29.591 29.700 0.027 0.000 1.024 212 E HN 0.389 nan 8.360 nan 0.000 0.470 213 V N 2.271 122.196 119.914 0.019 0.000 2.427 213 V HA 0.149 4.269 4.120 -0.000 0.000 0.268 213 V C 0.576 176.677 176.094 0.012 0.000 1.046 213 V CA -0.358 61.952 62.300 0.017 0.000 0.970 213 V CB 0.953 32.787 31.823 0.019 0.000 1.001 213 V HN 0.062 nan 8.190 nan 0.000 0.476 214 K N 2.859 123.267 120.400 0.014 0.000 2.118 214 K HA 0.589 4.909 4.320 -0.000 0.000 0.264 214 K C 0.114 176.726 176.600 0.020 0.000 1.000 214 K CA -0.140 56.155 56.287 0.014 0.000 0.929 214 K CB 1.815 34.324 32.500 0.014 0.000 1.021 214 K HN 0.849 nan 8.250 nan 0.000 0.463 215 T N -0.885 113.684 114.554 0.024 0.000 3.237 215 T HA 0.603 4.953 4.350 -0.000 0.000 0.319 215 T C -0.950 173.786 174.700 0.059 0.000 1.037 215 T CA -0.743 61.380 62.100 0.038 0.000 1.048 215 T CB 1.169 70.058 68.868 0.036 0.000 1.081 215 T HN 0.531 nan 8.240 nan 0.000 0.455 216 A N 3.703 126.568 122.820 0.075 0.000 2.248 216 A HA 1.010 5.330 4.320 -0.000 0.000 0.316 216 A C -0.728 176.975 177.584 0.198 0.000 1.101 216 A CA -0.813 51.289 52.037 0.108 0.000 0.875 216 A CB 0.846 19.887 19.000 0.068 0.000 1.207 216 A HN 1.366 nan 8.150 nan 0.000 0.504 229 I N 2.553 123.123 120.570 -0.000 0.000 2.342 229 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 229 I C 0.061 176.180 176.117 0.005 0.000 1.010 229 I CA -0.041 61.262 61.300 0.004 0.000 1.308 229 I CB 0.951 38.953 38.000 0.004 0.000 1.400 229 I HN 0.719 nan 8.210 nan 0.000 0.488 230 D N 4.242 124.647 120.400 0.008 0.000 2.593 230 D HA 0.299 4.939 4.640 -0.000 0.000 0.241 230 D C -0.009 176.298 176.300 0.011 0.000 1.257 230 D CA -0.325 53.680 54.000 0.008 0.000 0.828 230 D CB 0.544 41.349 40.800 0.007 0.000 1.049 230 D HN 0.375 nan 8.370 nan 0.000 0.490 231 A N 0.130 122.958 122.820 0.014 0.000 2.312 231 A HA 0.454 4.774 4.320 -0.000 0.000 0.328 231 A C 0.878 178.473 177.584 0.018 0.000 1.158 231 A CA -0.516 51.532 52.037 0.018 0.000 0.821 231 A CB 1.250 20.265 19.000 0.026 0.000 1.170 231 A HN 0.020 nan 8.150 nan 0.000 0.490 232 Q N 0.714 120.526 119.800 0.019 0.000 2.083 232 Q HA 0.130 4.470 4.340 -0.000 0.000 0.198 232 Q C -0.051 175.964 176.000 0.024 0.000 0.969 232 Q CA 1.249 57.064 55.803 0.019 0.000 0.838 232 Q CB -0.043 28.707 28.738 0.020 0.000 0.900 232 Q HN 0.765 nan 8.270 nan 0.000 0.436 233 I N 0.937 121.526 120.570 0.031 0.000 2.359 233 I HA 0.249 4.419 4.170 -0.000 0.000 0.294 233 I C -0.883 175.260 176.117 0.044 0.000 0.987 233 I CA -0.847 60.476 61.300 0.039 0.000 1.225 233 I CB 1.663 39.689 38.000 0.044 0.000 1.366 233 I HN -0.189 nan 8.210 nan 0.000 0.466 234 V N 7.699 127.639 119.914 0.044 0.000 2.409 234 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 234 V C -0.024 176.106 176.094 0.059 0.000 1.020 234 V CA -0.405 61.923 62.300 0.047 0.000 0.848 234 V CB 1.982 33.818 31.823 0.022 0.000 0.990 234 V HN 0.500 nan 8.190 nan 0.000 0.430 235 I N 3.864 124.482 120.570 0.080 0.000 2.509 235 I HA 0.881 5.051 4.170 -0.000 0.000 0.293 235 I C 0.634 176.784 176.117 0.055 0.000 1.020 235 I CA -0.032 61.324 61.300 0.093 0.000 1.088 235 I CB 2.083 40.173 38.000 0.151 0.000 1.267 235 I HN 0.821 nan 8.210 nan 0.000 0.430 236 G N 3.335 112.140 108.800 0.009 0.000 2.392 236 G HA2 0.331 4.291 3.960 -0.000 0.000 0.260 236 G HA3 0.331 4.291 3.960 -0.000 0.000 0.260 236 G C -0.956 173.904 174.900 -0.066 0.000 1.226 236 G CA -0.120 44.912 45.100 -0.113 0.000 0.913 236 G HN 0.547 nan 8.290 nan 0.000 0.483 237 T N -1.081 113.413 114.554 -0.100 0.000 2.945 237 T HA 0.668 5.018 4.350 -0.000 0.000 0.286 237 T C -1.865 172.822 174.700 -0.022 0.000 1.025 237 T CA -1.348 60.721 62.100 -0.051 0.000 1.039 237 T CB 2.510 71.340 68.868 -0.065 0.000 1.068 237 T HN 0.144 nan 8.240 nan 0.000 0.497 238 P HA 0.006 nan 4.420 nan 0.000 0.215 238 P C 1.849 179.155 177.300 0.010 0.000 1.153 238 P CA 1.335 64.455 63.100 0.034 0.000 0.853 238 P CB -0.396 31.323 31.700 0.030 0.000 0.788 239 G N -1.213 107.580 108.800 -0.012 0.000 2.442 239 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 239 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 239 G C 1.372 176.255 174.900 -0.028 0.000 1.141 239 G CA 1.572 46.661 45.100 -0.019 0.000 0.763 239 G HN 0.226 nan 8.290 nan 0.000 0.554 240 T N -0.053 114.473 114.554 -0.047 0.000 3.010 240 T HA 0.080 4.430 4.350 -0.000 0.000 0.252 240 T C 2.484 177.154 174.700 -0.051 0.000 1.047 240 T CA 0.486 62.550 62.100 -0.061 0.000 1.140 240 T CB 0.100 68.904 68.868 -0.106 0.000 0.885 240 T HN 0.032 nan 8.240 nan 0.000 0.464 241 V N 1.986 121.875 119.914 -0.041 0.000 2.343 241 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 241 V C 2.498 178.577 176.094 -0.024 0.000 1.051 241 V CA 1.811 64.093 62.300 -0.030 0.000 1.036 241 V CB -0.531 31.289 31.823 -0.005 0.000 0.654 241 V HN 0.404 nan 8.190 nan 0.000 0.451 242 M N 0.499 120.092 119.600 -0.011 0.000 2.117 242 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 242 M C 1.598 177.890 176.300 -0.013 0.000 1.065 242 M CA 2.015 57.311 55.300 -0.007 0.000 1.114 242 M CB -0.769 31.835 32.600 0.008 0.000 1.361 242 M HN 0.321 nan 8.290 nan 0.000 0.408 243 D N -0.007 120.383 120.400 -0.017 0.000 2.127 243 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 243 D C 1.979 178.267 176.300 -0.020 0.000 1.000 243 D CA 1.966 55.955 54.000 -0.018 0.000 0.839 243 D CB -0.432 40.353 40.800 -0.024 0.000 0.955 243 D HN 0.407 nan 8.370 nan 0.000 0.446 244 L N -0.343 120.865 121.223 -0.026 0.000 2.129 244 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 244 L C 2.422 179.278 176.870 -0.022 0.000 1.087 244 L CA 0.941 55.767 54.840 -0.025 0.000 0.757 244 L CB -0.374 41.667 42.059 -0.029 0.000 0.896 244 L HN 0.184 nan 8.230 nan 0.000 0.434 245 M N -1.076 118.509 119.600 -0.024 0.000 2.248 245 M HA -0.130 4.350 4.480 -0.000 0.000 0.265 245 M C 2.275 178.564 176.300 -0.018 0.000 1.079 245 M CA 1.316 56.600 55.300 -0.025 0.000 1.150 245 M CB -0.233 32.346 32.600 -0.034 0.000 1.366 245 M HN 0.063 nan 8.290 nan 0.000 0.433 246 K N 0.678 121.070 120.400 -0.013 0.000 2.044 246 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 246 K C 1.716 178.311 176.600 -0.009 0.000 1.049 246 K CA 1.504 57.786 56.287 -0.008 0.000 0.927 246 K CB -0.155 32.342 32.500 -0.006 0.000 0.713 246 K HN 0.297 nan 8.250 nan 0.000 0.443 247 R N 0.627 121.121 120.500 -0.011 0.000 2.346 247 R HA 0.059 4.399 4.340 -0.000 0.000 0.199 247 R C -0.006 176.288 176.300 -0.010 0.000 1.015 247 R CA 0.150 56.244 56.100 -0.009 0.000 1.058 247 R CB -0.121 30.173 30.300 -0.010 0.000 0.921 247 R HN 0.201 nan 8.270 nan 0.000 0.475 248 R N -0.513 119.980 120.500 -0.011 0.000 3.722 248 R HA -0.294 4.046 4.340 -0.000 0.000 0.284 248 R C 0.647 176.940 176.300 -0.012 0.000 1.165 248 R CA 0.836 56.929 56.100 -0.012 0.000 0.779 248 R CB -1.661 28.634 30.300 -0.009 0.000 1.179 248 R HN 0.430 nan 8.270 nan 0.000 0.491 249 Q N 0.455 120.248 119.800 -0.013 0.000 2.451 249 Q HA 0.107 4.447 4.340 -0.000 0.000 0.206 249 Q C 0.257 176.250 176.000 -0.012 0.000 0.947 249 Q CA 0.676 56.472 55.803 -0.011 0.000 0.937 249 Q CB 0.339 29.070 28.738 -0.011 0.000 1.025 249 Q HN 0.508 nan 8.270 nan 0.000 0.511 250 L N -2.791 118.422 121.223 -0.017 0.000 2.543 250 L HA 0.578 4.918 4.340 -0.000 0.000 0.265 250 L C -1.376 175.480 176.870 -0.024 0.000 0.945 250 L CA -1.269 53.560 54.840 -0.019 0.000 0.869 250 L CB 1.900 43.947 42.059 -0.020 0.000 1.294 250 L HN -0.247 nan 8.230 nan 0.000 0.405 251 D N 2.039 122.426 120.400 -0.021 0.000 2.400 251 D HA 0.454 5.094 4.640 -0.000 0.000 0.238 251 D C 0.774 177.052 176.300 -0.036 0.000 1.157 251 D CA 0.938 54.923 54.000 -0.025 0.000 0.889 251 D CB 1.730 42.519 40.800 -0.019 0.000 1.199 251 D HN 0.796 nan 8.370 nan 0.000 0.436 252 A N 1.736 124.530 122.820 -0.044 0.000 2.259 252 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 252 A C 1.834 179.387 177.584 -0.052 0.000 1.209 252 A CA -0.040 51.960 52.037 -0.063 0.000 0.910 252 A CB -0.094 18.858 19.000 -0.081 0.000 0.946 252 A HN 0.625 nan 8.150 nan 0.000 0.497 253 R N 0.300 120.778 120.500 -0.036 0.000 2.139 253 R HA -0.144 4.195 4.340 -0.000 0.000 0.243 253 R C 0.217 176.502 176.300 -0.025 0.000 1.145 253 R CA 1.901 57.985 56.100 -0.028 0.000 0.976 253 R CB -0.610 29.678 30.300 -0.020 0.000 0.866 253 R HN 0.298 nan 8.270 nan 0.000 0.449 254 D N 0.586 120.972 120.400 -0.023 0.000 2.325 254 D HA 0.158 4.798 4.640 -0.000 0.000 0.225 254 D C -0.036 176.253 176.300 -0.018 0.000 1.096 254 D CA 0.074 54.065 54.000 -0.016 0.000 0.844 254 D CB 0.206 41.000 40.800 -0.010 0.000 0.925 254 D HN 0.228 nan 8.370 nan 0.000 0.513 255 I N 1.226 121.777 120.570 -0.032 0.000 2.416 255 I HA -0.004 4.165 4.170 -0.000 0.000 0.288 255 I C 1.441 177.544 176.117 -0.023 0.000 1.051 255 I CA 0.357 61.635 61.300 -0.036 0.000 1.375 255 I CB 0.990 38.944 38.000 -0.076 0.000 1.407 255 I HN -0.304 nan 8.210 nan 0.000 0.516 256 K N 4.444 124.844 120.400 -0.000 0.000 2.425 256 K HA 0.290 4.610 4.320 -0.000 0.000 0.201 256 K C -0.743 175.879 176.600 0.036 0.000 1.128 256 K CA 0.195 56.490 56.287 0.013 0.000 1.000 256 K CB 0.999 33.508 32.500 0.016 0.000 0.961 256 K HN 0.378 nan 8.250 nan 0.000 0.555 257 V N 0.802 120.751 119.914 0.059 0.000 2.925 257 V HA 0.435 4.555 4.120 -0.000 0.000 0.311 257 V C -1.470 174.733 176.094 0.180 0.000 1.104 257 V CA -1.041 61.318 62.300 0.098 0.000 0.954 257 V CB 2.162 34.041 31.823 0.095 0.000 1.022 257 V HN -0.047 nan 8.190 nan 0.000 0.427 258 F N 3.482 123.416 119.950 -0.027 0.000 2.577 258 F HA 0.757 5.283 4.527 -0.000 0.000 0.344 258 F C -0.751 175.059 175.800 0.016 0.000 1.145 258 F CA -1.415 56.571 58.000 -0.023 0.000 0.996 258 F CB 1.548 40.503 39.000 -0.076 0.000 1.248 258 F HN 0.289 nan 8.300 nan 0.000 0.447 259 V N 7.148 127.063 119.914 0.002 0.000 2.427 259 V HA 0.456 4.576 4.120 -0.000 0.000 0.286 259 V C -0.776 175.110 176.094 -0.347 0.000 1.034 259 V CA -0.709 61.463 62.300 -0.214 0.000 0.893 259 V CB 1.584 33.196 31.823 -0.352 0.000 0.982 259 V HN 0.594 nan 8.190 nan 0.000 0.452 260 L N 4.630 125.698 121.223 -0.259 0.000 2.349 260 L HA 0.706 5.046 4.340 -0.000 0.000 0.278 260 L C -0.782 176.030 176.870 -0.098 0.000 0.996 260 L CA 0.075 54.776 54.840 -0.232 0.000 0.825 260 L CB 1.687 43.548 42.059 -0.330 0.000 1.243 260 L HN 0.644 nan 8.230 nan 0.000 0.412 261 D N 2.964 123.305 120.400 -0.098 0.000 2.198 261 D HA 0.351 4.991 4.640 -0.000 0.000 0.247 261 D C -0.562 175.757 176.300 0.031 0.000 1.010 261 D CA 0.303 54.330 54.000 0.044 0.000 0.880 261 D CB 1.180 42.006 40.800 0.044 0.000 1.209 261 D HN 0.648 nan 8.370 nan 0.000 0.451 262 E N 1.054 121.304 120.200 0.084 0.000 2.230 262 E HA -0.282 4.068 4.350 -0.000 0.000 0.206 262 E C 0.645 177.200 176.600 -0.076 0.000 1.309 262 E CA 0.331 56.732 56.400 0.002 0.000 0.697 262 E CB -1.261 28.435 29.700 -0.007 0.000 1.146 262 E HN 0.494 nan 8.360 nan 0.000 0.363 263 A N 1.810 124.570 122.820 -0.100 0.000 1.903 263 A HA -0.331 3.989 4.320 -0.000 0.000 0.219 263 A C 1.914 179.375 177.584 -0.204 0.000 1.191 263 A CA 2.296 54.234 52.037 -0.165 0.000 0.638 263 A CB -0.358 18.563 19.000 -0.133 0.000 0.823 263 A HN 0.617 nan 8.150 nan 0.000 0.451 264 D N 0.113 120.378 120.400 -0.225 0.000 2.133 264 D HA -0.230 4.410 4.640 -0.000 0.000 0.195 264 D C 1.443 177.652 176.300 -0.151 0.000 0.997 264 D CA 1.960 55.841 54.000 -0.199 0.000 0.840 264 D CB -1.213 39.464 40.800 -0.204 0.000 0.947 264 D HN 0.727 nan 8.370 nan 0.000 0.452 265 N N -0.572 118.053 118.700 -0.126 0.000 2.250 265 N HA -0.007 4.733 4.740 -0.000 0.000 0.181 265 N C 1.983 177.427 175.510 -0.111 0.000 1.017 265 N CA 0.421 53.412 53.050 -0.098 0.000 0.866 265 N CB -0.086 38.360 38.487 -0.069 0.000 0.985 265 N HN 0.031 nan 8.380 nan 0.000 0.429 266 M N 1.057 120.576 119.600 -0.135 0.000 2.106 266 M HA -0.128 4.352 4.480 -0.000 0.000 0.259 266 M C 1.819 178.006 176.300 -0.189 0.000 1.068 266 M CA 1.339 56.545 55.300 -0.157 0.000 1.100 266 M CB -0.771 31.711 32.600 -0.197 0.000 1.351 266 M HN 0.240 nan 8.290 nan 0.000 0.404 267 L N -0.289 120.796 121.223 -0.231 0.000 2.549 267 L HA -0.179 4.161 4.340 -0.000 0.000 0.229 267 L C 1.155 177.927 176.870 -0.164 0.000 1.158 267 L CA 0.418 55.104 54.840 -0.256 0.000 0.842 267 L CB -0.748 41.137 42.059 -0.290 0.000 0.952 267 L HN 0.235 nan 8.230 nan 0.000 0.452 268 D N -0.431 119.893 120.400 -0.126 0.000 2.305 268 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 268 D C 1.677 177.932 176.300 -0.075 0.000 0.974 268 D CA 0.478 54.424 54.000 -0.089 0.000 0.871 268 D CB -0.032 40.724 40.800 -0.074 0.000 0.947 268 D HN 0.373 nan 8.370 nan 0.000 0.516 273 G N 0.253 108.964 108.800 -0.147 0.000 2.442 273 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.219 273 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.219 273 G C 0.865 175.798 174.900 0.054 0.000 1.141 273 G CA 1.539 46.508 45.100 -0.220 0.000 0.763 273 G HN 0.299 nan 8.290 nan 0.000 0.554 274 D N 0.027 120.452 120.400 0.042 0.000 2.097 274 D HA -0.055 4.585 4.640 -0.000 0.000 0.197 274 D C 2.661 179.032 176.300 0.119 0.000 0.984 274 D CA 0.598 54.664 54.000 0.109 0.000 0.826 274 D CB -0.217 40.624 40.800 0.068 0.000 0.973 274 D HN 0.190 nan 8.370 nan 0.000 0.460 275 Q N 0.239 120.086 119.800 0.078 0.000 2.112 275 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 275 Q C 2.238 178.321 176.000 0.137 0.000 0.987 275 Q CA 0.942 56.795 55.803 0.083 0.000 0.858 275 Q CB -0.277 28.490 28.738 0.049 0.000 0.905 275 Q HN 0.146 nan 8.270 nan 0.000 0.420 276 S N -0.220 115.578 115.700 0.164 0.000 2.345 276 S HA -0.072 4.398 4.470 -0.000 0.000 0.220 276 S C 1.903 176.730 174.600 0.378 0.000 1.031 276 S CA 0.727 59.089 58.200 0.271 0.000 0.996 276 S CB 0.008 63.301 63.200 0.155 0.000 0.882 276 S HN 0.250 nan 8.310 nan 0.000 0.445 277 M N 1.147 120.944 119.600 0.328 0.000 2.106 277 M HA -0.104 4.376 4.480 -0.000 0.000 0.259 277 M C 2.153 178.505 176.300 0.086 0.000 1.068 277 M CA 1.469 56.888 55.300 0.199 0.000 1.100 277 M CB -1.252 31.492 32.600 0.240 0.000 1.351 277 M HN 0.298 nan 8.290 nan 0.000 0.404 278 R N 0.287 120.896 120.500 0.181 0.000 2.080 278 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 278 R C 2.157 178.517 176.300 0.100 0.000 1.137 278 R CA 1.685 57.889 56.100 0.174 0.000 0.943 278 R CB -0.352 30.027 30.300 0.132 0.000 0.846 278 R HN 0.325 nan 8.270 nan 0.000 0.431 279 I N 1.174 121.794 120.570 0.083 0.000 2.248 279 I HA -0.332 3.837 4.170 -0.000 0.000 0.248 279 I C 2.678 178.717 176.117 -0.129 0.000 1.107 279 I CA 1.300 62.590 61.300 -0.016 0.000 1.373 279 I CB -0.385 37.619 38.000 0.007 0.000 1.055 279 I HN 0.242 nan 8.210 nan 0.000 0.418 280 K N 0.465 120.850 120.400 -0.024 0.000 2.097 280 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 280 K C 1.975 178.463 176.600 -0.186 0.000 1.050 280 K CA 1.444 57.668 56.287 -0.105 0.000 0.938 280 K CB -0.183 32.343 32.500 0.042 0.000 0.718 280 K HN 0.431 nan 8.250 nan 0.000 0.442 281 H N 0.209 119.288 119.070 0.015 0.000 2.546 281 H HA -0.013 4.543 4.556 -0.000 0.000 0.277 281 H C 1.964 177.271 175.328 -0.034 0.000 1.004 281 H CA 0.517 56.560 56.048 -0.007 0.000 1.231 281 H CB 0.170 29.941 29.762 0.015 0.000 1.382 281 H HN 0.144 nan 8.280 nan 0.000 0.580 282 L N 0.116 121.355 121.223 0.026 0.000 2.209 282 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 282 L C 0.955 177.786 176.870 -0.065 0.000 1.094 282 L CA 0.273 55.101 54.840 -0.020 0.000 0.790 282 L CB 0.129 42.164 42.059 -0.041 0.000 0.932 282 L HN 0.036 nan 8.230 nan 0.000 0.447 283 L N -0.443 120.704 121.223 -0.126 0.000 2.474 283 L HA 0.136 4.476 4.340 -0.000 0.000 0.259 283 L C -1.851 174.974 176.870 -0.076 0.000 1.232 283 L CA -1.706 53.050 54.840 -0.140 0.000 0.821 283 L CB -0.463 41.452 42.059 -0.240 0.000 1.108 283 L HN -0.109 nan 8.230 nan 0.000 0.495 284 P HA 0.184 nan 4.420 nan 0.000 0.297 284 P C 0.112 177.396 177.300 -0.027 0.000 1.303 284 P CA -0.607 62.471 63.100 -0.035 0.000 0.753 284 P CB 0.522 32.203 31.700 -0.031 0.000 1.281 285 R N 0.577 121.067 120.500 -0.017 0.000 2.115 285 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 285 R C 1.199 177.490 176.300 -0.015 0.000 1.100 285 R CA 1.274 57.367 56.100 -0.012 0.000 0.980 285 R CB -0.327 29.968 30.300 -0.007 0.000 0.875 285 R HN 0.536 nan 8.270 nan 0.000 0.445 286 N N -0.580 118.112 118.700 -0.014 0.000 2.251 286 N HA -0.001 4.739 4.740 -0.000 0.000 0.217 286 N C -0.818 174.685 175.510 -0.012 0.000 1.124 286 N CA -0.116 52.927 53.050 -0.012 0.000 0.843 286 N CB 0.689 39.172 38.487 -0.006 0.000 1.024 286 N HN -0.117 nan 8.380 nan 0.000 0.501 287 T N 1.561 116.104 114.554 -0.019 0.000 2.784 287 T HA -0.048 4.302 4.350 -0.000 0.000 0.291 287 T C 0.277 174.975 174.700 -0.004 0.000 0.942 287 T CA -0.023 62.071 62.100 -0.011 0.000 1.161 287 T CB 1.174 70.025 68.868 -0.028 0.000 0.885 287 T HN 0.240 nan 8.240 nan 0.000 0.534 288 Q N 3.442 123.251 119.800 0.015 0.000 2.247 288 Q HA 0.133 4.473 4.340 -0.000 0.000 0.288 288 Q C -0.748 175.265 176.000 0.022 0.000 1.079 288 Q CA 0.192 56.006 55.803 0.018 0.000 0.932 288 Q CB 0.137 28.898 28.738 0.038 0.000 1.133 288 Q HN 0.617 nan 8.270 nan 0.000 0.377 289 I N 4.543 125.094 120.570 -0.031 0.000 2.339 289 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 289 I C -0.680 175.405 176.117 -0.054 0.000 0.994 289 I CA -0.760 60.477 61.300 -0.106 0.000 1.191 289 I CB 1.706 39.522 38.000 -0.306 0.000 1.343 289 I HN 0.303 nan 8.210 nan 0.000 0.458 290 V N 7.357 127.271 119.914 -0.000 0.000 2.555 290 V HA 0.546 4.666 4.120 -0.000 0.000 0.302 290 V C -0.444 175.763 176.094 0.190 0.000 1.038 290 V CA -0.636 61.733 62.300 0.116 0.000 0.887 290 V CB 2.246 34.204 31.823 0.225 0.000 0.991 290 V HN 0.527 nan 8.190 nan 0.000 0.434 291 L N 4.462 125.786 121.223 0.169 0.000 2.409 291 L HA 0.798 5.138 4.340 -0.000 0.000 0.262 291 L C -1.859 175.045 176.870 0.057 0.000 0.992 291 L CA -0.238 54.723 54.840 0.201 0.000 0.817 291 L CB 2.301 44.509 42.059 0.248 0.000 1.350 291 L HN 0.545 nan 8.230 nan 0.000 0.411 292 F N 2.104 122.175 119.950 0.203 0.000 2.591 292 F HA 0.680 5.207 4.527 -0.000 0.000 0.309 292 F C -0.258 175.571 175.800 0.048 0.000 1.098 292 F CA -0.390 57.738 58.000 0.214 0.000 0.937 292 F CB 2.530 41.708 39.000 0.297 0.000 1.250 292 F HN 0.379 nan 8.300 nan 0.000 0.447 293 S N 0.815 116.587 115.700 0.121 0.000 2.533 293 S HA 0.663 5.133 4.470 -0.000 0.000 0.271 293 S C 0.241 174.763 174.600 -0.131 0.000 1.143 293 S CA 0.089 58.143 58.200 -0.244 0.000 0.891 293 S CB 1.593 64.237 63.200 -0.927 0.000 1.105 293 S HN 0.844 nan 8.310 nan 0.000 0.468 294 A N 2.546 125.314 122.820 -0.087 0.000 1.930 294 A HA 0.200 4.519 4.320 -0.000 0.000 0.217 294 A C 1.243 178.809 177.584 -0.030 0.000 1.175 294 A CA 1.897 53.929 52.037 -0.008 0.000 0.627 294 A CB -0.825 18.169 19.000 -0.010 0.000 0.815 294 A HN 1.161 nan 8.150 nan 0.000 0.443 295 T N -5.010 109.432 114.554 -0.187 0.000 2.930 295 T HA 0.732 5.082 4.350 -0.000 0.000 0.290 295 T C -0.422 174.068 174.700 -0.348 0.000 1.052 295 T CA -0.753 61.274 62.100 -0.122 0.000 1.017 295 T CB 1.597 70.423 68.868 -0.071 0.000 1.137 295 T HN 0.109 nan 8.240 nan 0.000 0.511 296 F N 0.036 119.999 119.950 0.021 0.000 3.338 296 F HA 0.704 5.231 4.527 -0.000 0.000 0.332 296 F C 0.564 176.376 175.800 0.019 0.000 1.290 296 F CA 0.046 58.059 58.000 0.021 0.000 1.000 296 F CB 0.639 39.653 39.000 0.023 0.000 1.576 296 F HN 1.263 nan 8.300 nan 0.000 0.514 297 S N 0.545 116.425 115.700 0.301 0.000 3.662 297 S HA -0.083 4.387 4.470 -0.000 0.000 0.787 297 S C -0.104 174.565 174.600 0.115 0.000 1.315 297 S CA 0.502 58.796 58.200 0.157 0.000 1.186 297 S CB -1.226 62.039 63.200 0.110 0.000 0.500 297 S HN 1.496 nan 8.310 nan 0.000 0.528 298 E N 0.631 120.880 120.200 0.082 0.000 3.229 298 E HA -0.351 3.998 4.350 -0.000 0.000 0.354 298 E C 0.831 177.477 176.600 0.077 0.000 1.487 298 E CA 2.018 58.454 56.400 0.061 0.000 1.617 298 E CB -1.295 28.427 29.700 0.037 0.000 1.768 298 E HN 0.906 nan 8.360 nan 0.000 0.497 299 R N -0.297 120.237 120.500 0.056 0.000 2.075 299 R HA 0.078 4.418 4.340 -0.000 0.000 0.232 299 R C 2.256 178.621 176.300 0.108 0.000 1.126 299 R CA 1.666 57.803 56.100 0.061 0.000 0.963 299 R CB -0.576 29.729 30.300 0.008 0.000 0.858 299 R HN 0.342 nan 8.270 nan 0.000 0.435 300 V N 0.834 120.801 119.914 0.089 0.000 2.343 300 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 300 V C 2.271 178.538 176.094 0.288 0.000 1.051 300 V CA 1.802 64.184 62.300 0.137 0.000 1.036 300 V CB -0.474 31.350 31.823 0.002 0.000 0.654 300 V HN 0.345 nan 8.190 nan 0.000 0.451 301 E N 0.300 120.671 120.200 0.284 0.000 2.077 301 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 301 E C 2.268 178.967 176.600 0.166 0.000 0.989 301 E CA 1.477 58.023 56.400 0.243 0.000 0.800 301 E CB -0.027 29.766 29.700 0.154 0.000 0.746 301 E HN 0.417 nan 8.360 nan 0.000 0.452 302 K N 0.122 120.614 120.400 0.153 0.000 2.103 302 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 302 K C 1.977 178.673 176.600 0.161 0.000 1.052 302 K CA 0.942 57.306 56.287 0.129 0.000 0.945 302 K CB -0.789 31.777 32.500 0.110 0.000 0.722 302 K HN 0.092 nan 8.250 nan 0.000 0.443 303 Y N 0.681 121.023 120.300 0.070 0.000 2.070 303 Y HA -0.190 4.360 4.550 0.000 0.000 0.280 303 Y C 2.029 177.995 175.900 0.109 0.000 1.148 303 Y CA 2.250 60.387 58.100 0.062 0.000 1.125 303 Y CB -0.922 37.541 38.460 0.003 0.000 0.975 303 Y HN 0.110 nan 8.280 nan 0.000 0.492 304 A N 0.016 122.925 122.820 0.148 0.000 1.986 304 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 304 A C 2.116 179.743 177.584 0.072 0.000 1.171 304 A CA 2.066 54.184 52.037 0.134 0.000 0.640 304 A CB -0.865 18.285 19.000 0.251 0.000 0.811 304 A HN 0.686 nan 8.150 nan 0.000 0.451 305 E N -0.555 119.677 120.200 0.054 0.000 2.038 305 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 305 E C 2.348 178.949 176.600 0.003 0.000 1.000 305 E CA 1.672 58.087 56.400 0.024 0.000 0.803 305 E CB -0.147 29.571 29.700 0.030 0.000 0.750 305 E HN 0.782 nan 8.360 nan 0.000 0.448 306 R N -0.364 120.126 120.500 -0.016 0.000 2.119 306 R HA -0.051 4.289 4.340 -0.000 0.000 0.222 306 R C 2.214 178.484 176.300 -0.050 0.000 1.088 306 R CA 0.820 56.905 56.100 -0.026 0.000 0.984 306 R CB -0.553 29.742 30.300 -0.008 0.000 0.884 306 R HN 0.100 nan 8.270 nan 0.000 0.447 307 F N 2.392 122.156 119.950 -0.311 0.000 2.095 307 F HA -0.009 4.519 4.527 0.000 0.000 0.298 307 F C 0.838 176.550 175.800 -0.147 0.000 1.104 307 F CA 1.259 59.073 58.000 -0.310 0.000 1.232 307 F CB -0.024 38.719 39.000 -0.428 0.000 0.987 307 F HN 0.061 nan 8.300 nan 0.000 0.475 308 A N 1.319 124.096 122.820 -0.072 0.000 2.893 308 A HA 0.455 4.775 4.320 -0.000 0.000 0.333 308 A C -2.569 174.981 177.584 -0.056 0.000 1.152 308 A CA -1.436 50.532 52.037 -0.115 0.000 0.782 308 A CB -0.458 18.501 19.000 -0.067 0.000 1.108 308 A HN 0.002 nan 8.150 nan 0.000 0.469 309 P HA 0.062 nan 4.420 nan 0.000 0.270 309 P C -0.069 177.213 177.300 -0.031 0.000 1.223 309 P CA 0.277 63.358 63.100 -0.032 0.000 0.785 309 P CB 0.124 31.809 31.700 -0.025 0.000 0.923 310 N N -2.310 116.375 118.700 -0.024 0.000 2.716 310 N HA -0.163 4.576 4.740 -0.000 0.000 0.250 310 N C -0.221 175.274 175.510 -0.025 0.000 1.033 310 N CA 0.342 53.378 53.050 -0.022 0.000 0.727 310 N CB -1.313 37.163 38.487 -0.018 0.000 0.950 310 N HN 0.584 nan 8.380 nan 0.000 0.541 311 A N 0.143 122.945 122.820 -0.031 0.000 2.293 311 A HA 0.520 4.840 4.320 -0.000 0.000 0.302 311 A C 0.330 177.892 177.584 -0.037 0.000 1.119 311 A CA -0.569 51.448 52.037 -0.034 0.000 0.823 311 A CB 0.634 19.611 19.000 -0.039 0.000 1.097 311 A HN 0.268 nan 8.150 nan 0.000 0.491 312 N N 1.374 120.054 118.700 -0.033 0.000 2.514 312 N HA 0.260 4.999 4.740 -0.000 0.000 0.277 312 N C -0.696 174.777 175.510 -0.060 0.000 1.126 312 N CA 0.226 53.254 53.050 -0.037 0.000 0.978 312 N CB 0.967 39.442 38.487 -0.020 0.000 1.106 312 N HN 0.667 nan 8.380 nan 0.000 0.461 313 E N 1.502 121.659 120.200 -0.071 0.000 2.222 313 E HA 0.458 4.808 4.350 -0.000 0.000 0.267 313 E C -0.520 176.024 176.600 -0.093 0.000 0.884 313 E CA -0.707 55.627 56.400 -0.109 0.000 0.764 313 E CB 2.032 31.650 29.700 -0.137 0.000 1.169 313 E HN 0.329 nan 8.360 nan 0.000 0.413 314 I N 3.241 123.749 120.570 -0.103 0.000 2.405 314 I HA 0.385 4.555 4.170 -0.000 0.000 0.280 314 I C 0.048 176.126 176.117 -0.065 0.000 1.027 314 I CA -0.356 60.910 61.300 -0.056 0.000 1.161 314 I CB 0.113 38.108 38.000 -0.009 0.000 1.300 314 I HN 0.463 nan 8.210 nan 0.000 0.463 315 R N 3.996 124.453 120.500 -0.072 0.000 2.905 315 R HA 0.693 5.033 4.340 -0.000 0.000 0.260 315 R C -1.102 175.183 176.300 -0.025 0.000 1.086 315 R CA -1.266 54.786 56.100 -0.080 0.000 0.978 315 R CB 1.871 32.048 30.300 -0.205 0.000 1.215 315 R HN 0.183 nan 8.270 nan 0.000 0.480 316 L N 1.630 122.855 121.223 0.004 0.000 2.397 316 L HA 0.238 4.578 4.340 -0.000 0.000 0.271 316 L C 0.503 177.374 176.870 0.001 0.000 1.148 316 L CA 0.058 54.910 54.840 0.019 0.000 0.825 316 L CB 0.371 42.458 42.059 0.046 0.000 1.117 316 L HN 0.382 nan 8.230 nan 0.000 0.456 317 K N 1.260 121.662 120.400 0.003 0.000 2.472 317 K HA 0.009 4.329 4.320 -0.000 0.000 0.280 317 K C -0.078 176.524 176.600 0.004 0.000 1.028 317 K CA 0.013 56.298 56.287 -0.002 0.000 1.045 317 K CB 0.292 32.793 32.500 0.002 0.000 0.902 317 K HN 0.724 nan 8.250 nan 0.000 0.478 318 T N 2.490 117.043 114.554 -0.002 0.000 2.848 318 T HA 0.189 4.539 4.350 -0.000 0.000 0.283 318 T C -0.531 174.177 174.700 0.012 0.000 0.919 318 T CA -0.500 61.605 62.100 0.009 0.000 1.071 318 T CB -0.042 68.827 68.868 0.002 0.000 0.912 318 T HN 0.620 nan 8.240 nan 0.000 0.570 319 E N 2.289 122.501 120.200 0.018 0.000 2.369 319 E HA 0.625 4.975 4.350 -0.000 0.000 0.270 319 E C -0.622 175.988 176.600 0.016 0.000 0.909 319 E CA -1.251 55.156 56.400 0.012 0.000 0.775 319 E CB 1.366 31.070 29.700 0.007 0.000 1.270 319 E HN 0.511 nan 8.360 nan 0.000 0.445 326 I N 0.418 120.959 120.570 -0.049 0.000 3.102 326 I HA 0.574 4.744 4.170 -0.000 0.000 0.310 326 I C -0.587 175.519 176.117 -0.018 0.000 1.246 326 I CA -1.356 59.922 61.300 -0.037 0.000 0.979 326 I CB 2.094 40.062 38.000 -0.054 0.000 1.267 326 I HN 0.431 nan 8.210 nan 0.000 0.451 327 K N 3.945 124.341 120.400 -0.007 0.000 2.469 327 K HA 0.174 4.494 4.320 -0.000 0.000 0.274 327 K C -1.038 175.574 176.600 0.021 0.000 0.983 327 K CA 0.167 56.458 56.287 0.008 0.000 0.974 327 K CB 0.321 32.825 32.500 0.006 0.000 0.913 327 K HN 0.453 nan 8.250 nan 0.000 0.493 328 Q N 1.921 121.745 119.800 0.039 0.000 2.320 328 Q HA 0.502 4.842 4.340 -0.000 0.000 0.272 328 Q C -1.264 174.784 176.000 0.079 0.000 1.023 328 Q CA -0.626 55.219 55.803 0.071 0.000 0.855 328 Q CB 1.959 30.758 28.738 0.102 0.000 1.367 328 Q HN 0.372 nan 8.270 nan 0.000 0.406 329 L N 1.625 122.902 121.223 0.091 0.000 2.415 329 L HA 0.723 5.063 4.340 -0.000 0.000 0.256 329 L C -1.297 175.647 176.870 0.122 0.000 1.010 329 L CA -1.283 53.597 54.840 0.066 0.000 0.826 329 L CB 1.756 43.813 42.059 -0.004 0.000 1.405 329 L HN 0.722 nan 8.230 nan 0.000 0.410 330 Y N -0.353 119.888 120.300 -0.099 0.000 2.544 330 Y HA 0.787 5.337 4.550 -0.000 0.000 0.342 330 Y C -1.476 174.275 175.900 -0.248 0.000 1.062 330 Y CA -1.336 56.670 58.100 -0.158 0.000 1.023 330 Y CB 1.639 40.009 38.460 -0.151 0.000 1.308 330 Y HN 0.310 nan 8.280 nan 0.000 0.457 331 M N 2.894 122.305 119.600 -0.315 0.000 2.598 331 M HA 0.359 4.839 4.480 -0.000 0.000 0.317 331 M C -1.487 174.639 176.300 -0.289 0.000 1.201 331 M CA -0.577 54.427 55.300 -0.493 0.000 0.971 331 M CB 1.499 33.538 32.600 -0.934 0.000 1.657 331 M HN 0.901 nan 8.290 nan 0.000 0.470 332 D N 0.714 120.991 120.400 -0.205 0.000 2.492 332 D HA 0.573 5.212 4.640 -0.000 0.000 0.248 332 D C -1.610 174.745 176.300 0.092 0.000 1.101 332 D CA -0.090 53.898 54.000 -0.020 0.000 0.840 332 D CB 1.101 41.892 40.800 -0.015 0.000 1.209 332 D HN 0.600 nan 8.370 nan 0.000 0.524 333 C N 2.324 121.711 119.300 0.144 0.000 2.848 333 C HA 0.468 4.928 4.460 -0.000 0.000 0.317 333 C C 0.892 175.773 174.990 -0.182 0.000 1.260 333 C CA -0.501 58.505 59.018 -0.021 0.000 1.656 333 C CB 1.824 29.647 27.740 0.139 0.000 2.174 333 C HN 0.665 nan 8.230 nan 0.000 0.479 334 Q N 0.097 119.501 119.800 -0.661 0.000 2.280 334 Q HA 0.309 4.649 4.340 -0.000 0.000 0.228 334 Q C 0.517 176.278 176.000 -0.398 0.000 0.857 334 Q CA 0.372 55.860 55.803 -0.525 0.000 0.939 334 Q CB 0.892 29.381 28.738 -0.414 0.000 1.114 334 Q HN 0.683 nan 8.270 nan 0.000 0.514 335 S N -0.805 114.736 115.700 -0.265 0.000 2.656 335 S HA 0.121 4.591 4.470 -0.000 0.000 0.273 335 S C -0.349 174.380 174.600 0.215 0.000 1.168 335 S CA -0.594 57.658 58.200 0.086 0.000 0.817 335 S CB 1.072 64.368 63.200 0.159 0.000 1.146 335 S HN 0.326 nan 8.310 nan 0.000 0.475 336 E N 0.361 120.681 120.200 0.199 0.000 2.435 336 E HA 0.064 4.413 4.350 -0.000 0.000 0.195 336 E C 0.788 177.419 176.600 0.052 0.000 1.029 336 E CA 0.789 57.321 56.400 0.220 0.000 0.865 336 E CB -0.023 29.796 29.700 0.198 0.000 0.833 336 E HN 0.381 nan 8.360 nan 0.000 0.510 337 E N 0.656 120.840 120.200 -0.026 0.000 2.274 337 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 337 E C 1.451 178.106 176.600 0.091 0.000 0.996 337 E CA 0.757 57.062 56.400 -0.158 0.000 0.840 337 E CB -0.156 29.486 29.700 -0.097 0.000 0.772 337 E HN 0.524 nan 8.360 nan 0.000 0.491 338 H N -0.271 118.866 119.070 0.112 0.000 2.423 338 H HA 0.003 4.558 4.556 -0.000 0.000 0.297 338 H C 1.639 177.165 175.328 0.329 0.000 1.075 338 H CA 1.068 57.226 56.048 0.184 0.000 1.342 338 H CB 0.387 30.255 29.762 0.176 0.000 1.395 338 H HN 0.102 nan 8.280 nan 0.000 0.530 339 K N 0.532 121.288 120.400 0.594 0.000 2.057 339 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 339 K C 1.708 178.637 176.600 0.547 0.000 1.050 339 K CA 1.208 57.896 56.287 0.669 0.000 0.935 339 K CB -0.016 32.752 32.500 0.447 0.000 0.715 339 K HN 0.285 nan 8.250 nan 0.000 0.439 340 Y N 1.059 121.441 120.300 0.137 0.000 2.395 340 Y HA -0.078 4.472 4.550 -0.000 0.000 0.293 340 Y C 2.030 178.000 175.900 0.116 0.000 1.123 340 Y CA 0.366 58.521 58.100 0.092 0.000 1.227 340 Y CB -1.179 37.314 38.460 0.055 0.000 1.012 340 Y HN 0.226 nan 8.280 nan 0.000 0.552 341 N N 0.547 119.432 118.700 0.308 0.000 2.084 341 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 341 N C 1.757 177.373 175.510 0.176 0.000 1.030 341 N CA 1.639 54.793 53.050 0.173 0.000 0.849 341 N CB -0.689 37.843 38.487 0.074 0.000 1.012 341 N HN 0.129 nan 8.380 nan 0.000 0.423 342 V N -0.520 119.535 119.914 0.235 0.000 3.052 342 V HA 0.148 4.268 4.120 -0.000 0.000 0.254 342 V C 1.972 178.198 176.094 0.221 0.000 1.100 342 V CA 0.474 62.889 62.300 0.192 0.000 1.112 342 V CB -0.433 31.488 31.823 0.164 0.000 0.738 342 V HN 0.356 nan 8.190 nan 0.000 0.469 343 L N -0.522 120.876 121.223 0.292 0.000 2.056 343 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 343 L C 2.403 179.426 176.870 0.254 0.000 1.078 343 L CA 1.909 56.916 54.840 0.279 0.000 0.749 343 L CB -0.429 41.776 42.059 0.243 0.000 0.901 343 L HN 0.183 nan 8.230 nan 0.000 0.433 344 V N -0.104 119.939 119.914 0.215 0.000 2.231 344 V HA -0.411 3.709 4.120 -0.000 0.000 0.250 344 V C 2.452 178.646 176.094 0.166 0.000 1.058 344 V CA 2.390 64.804 62.300 0.189 0.000 1.022 344 V CB -0.608 31.302 31.823 0.144 0.000 0.640 344 V HN 0.532 nan 8.190 nan 0.000 0.445 345 E N -0.770 119.507 120.200 0.129 0.000 2.153 345 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 345 E C 2.001 178.653 176.600 0.086 0.000 0.988 345 E CA 1.010 57.465 56.400 0.092 0.000 0.811 345 E CB -0.157 29.582 29.700 0.066 0.000 0.746 345 E HN 0.360 nan 8.360 nan 0.000 0.466 346 L N -0.089 121.193 121.223 0.098 0.000 1.925 346 L HA -0.174 4.166 4.340 -0.000 0.000 0.214 346 L C 2.118 179.021 176.870 0.054 0.000 1.091 346 L CA 1.729 56.590 54.840 0.034 0.000 0.768 346 L CB -1.035 41.016 42.059 -0.014 0.000 0.887 346 L HN 0.105 nan 8.230 nan 0.000 0.433 347 Y N -0.160 120.217 120.300 0.127 0.000 2.069 347 Y HA -0.212 4.338 4.550 -0.000 0.000 0.278 347 Y C 1.771 177.741 175.900 0.116 0.000 1.175 347 Y CA 0.910 59.102 58.100 0.154 0.000 1.134 347 Y CB -1.120 37.500 38.460 0.266 0.000 0.965 347 Y HN 0.315 nan 8.280 nan 0.000 0.498 352 I N 1.102 121.702 120.570 0.051 0.000 3.793 352 I HA 0.183 4.353 4.170 -0.000 0.000 0.315 352 I C 2.115 178.275 176.117 0.071 0.000 1.275 352 I CA 1.101 62.451 61.300 0.083 0.000 1.214 352 I CB -1.651 36.444 38.000 0.159 0.000 1.018 352 I HN 0.929 nan 8.210 nan 0.000 0.439 353 G N 1.788 110.608 108.800 0.033 0.000 2.752 353 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.349 353 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.349 353 G C 0.407 175.300 174.900 -0.012 0.000 1.181 353 G CA 0.623 45.725 45.100 0.003 0.000 0.949 353 G HN 0.471 nan 8.290 nan 0.000 0.562 354 Q N -0.941 118.857 119.800 -0.003 0.000 2.615 354 Q HA 0.615 4.955 4.340 -0.000 0.000 0.298 354 Q C -0.592 175.480 176.000 0.121 0.000 1.023 354 Q CA -0.094 55.702 55.803 -0.012 0.000 0.768 354 Q CB 2.337 30.927 28.738 -0.247 0.000 1.500 354 Q HN 0.944 nan 8.270 nan 0.000 0.441 355 S N -0.020 115.820 115.700 0.232 0.000 2.638 355 S HA 0.766 5.236 4.470 -0.000 0.000 0.274 355 S C -1.754 173.025 174.600 0.299 0.000 1.157 355 S CA -0.571 57.791 58.200 0.270 0.000 0.826 355 S CB 1.287 64.682 63.200 0.326 0.000 1.139 355 S HN 0.518 nan 8.310 nan 0.000 0.474 356 I N 2.500 123.185 120.570 0.193 0.000 2.531 356 I HA 0.388 4.558 4.170 -0.000 0.000 0.283 356 I C -1.020 175.115 176.117 0.030 0.000 1.083 356 I CA -0.443 60.873 61.300 0.027 0.000 1.071 356 I CB 1.569 39.545 38.000 -0.040 0.000 1.210 356 I HN 0.563 nan 8.210 nan 0.000 0.450 357 I N 5.604 126.143 120.570 -0.051 0.000 2.371 357 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 357 I C -0.241 175.788 176.117 -0.147 0.000 1.028 357 I CA -0.069 61.223 61.300 -0.013 0.000 1.345 357 I CB 0.682 38.656 38.000 -0.043 0.000 1.407 357 I HN 0.339 nan 8.210 nan 0.000 0.501 358 F N 4.443 124.382 119.950 -0.019 0.000 2.410 358 F HA 0.604 5.131 4.527 -0.000 0.000 0.324 358 F C 0.515 176.292 175.800 -0.038 0.000 1.093 358 F CA -0.052 57.934 58.000 -0.024 0.000 1.028 358 F CB 1.378 40.384 39.000 0.010 0.000 1.309 358 F HN 0.406 nan 8.300 nan 0.000 0.499 359 C N 0.190 119.600 119.300 0.184 0.000 3.320 359 C HA 0.364 4.824 4.460 -0.000 0.000 0.335 359 C C 0.538 175.574 174.990 0.077 0.000 1.430 359 C CA -0.917 58.148 59.018 0.079 0.000 1.271 359 C CB 1.999 29.742 27.740 0.004 0.000 1.609 359 C HN 0.865 nan 8.230 nan 0.000 0.457 360 K N 1.049 121.475 120.400 0.044 0.000 2.323 360 K HA 0.344 4.664 4.320 -0.000 0.000 0.232 360 K C 0.295 176.907 176.600 0.021 0.000 1.068 360 K CA 0.716 57.023 56.287 0.034 0.000 0.892 360 K CB -0.353 32.162 32.500 0.024 0.000 1.207 360 K HN 0.476 nan 8.250 nan 0.000 0.456 361 K N 1.439 121.848 120.400 0.016 0.000 2.295 361 K HA 0.074 4.394 4.320 -0.000 0.000 0.270 361 K C 0.663 177.267 176.600 0.007 0.000 1.011 361 K CA 0.284 56.577 56.287 0.011 0.000 0.953 361 K CB 0.756 33.263 32.500 0.012 0.000 0.956 361 K HN -0.017 nan 8.250 nan 0.000 0.477 362 K N 1.465 121.867 120.400 0.003 0.000 2.211 362 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 362 K C 0.566 177.165 176.600 -0.003 0.000 1.050 362 K CA 1.417 57.703 56.287 -0.002 0.000 0.945 362 K CB 0.140 32.638 32.500 -0.004 0.000 0.732 362 K HN 0.597 nan 8.250 nan 0.000 0.451 363 D N -0.795 119.607 120.400 0.004 0.000 2.389 363 D HA -0.039 4.601 4.640 -0.000 0.000 0.206 363 D C 1.439 177.750 176.300 0.018 0.000 1.055 363 D CA 0.652 54.657 54.000 0.008 0.000 0.856 363 D CB 0.429 41.236 40.800 0.011 0.000 0.957 363 D HN 0.205 nan 8.370 nan 0.000 0.509 364 T N -2.560 112.007 114.554 0.023 0.000 3.023 364 T HA 0.124 4.474 4.350 -0.000 0.000 0.266 364 T C 1.969 176.676 174.700 0.011 0.000 1.093 364 T CA 0.829 62.953 62.100 0.041 0.000 1.129 364 T CB -0.043 68.856 68.868 0.052 0.000 0.899 364 T HN 0.017 nan 8.240 nan 0.000 0.491 365 A N 2.391 125.203 122.820 -0.013 0.000 1.897 365 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 365 A C 2.168 179.721 177.584 -0.052 0.000 1.181 365 A CA 1.152 53.160 52.037 -0.047 0.000 0.620 365 A CB -0.563 18.407 19.000 -0.050 0.000 0.821 365 A HN 0.652 nan 8.150 nan 0.000 0.443 366 E N -0.140 120.042 120.200 -0.030 0.000 2.515 366 E HA -0.153 4.197 4.350 -0.000 0.000 0.201 366 E C 1.696 178.292 176.600 -0.007 0.000 1.071 366 E CA 0.680 57.066 56.400 -0.024 0.000 0.880 366 E CB -0.019 29.672 29.700 -0.014 0.000 0.828 366 E HN 0.816 nan 8.360 nan 0.000 0.540 367 E N 1.444 121.651 120.200 0.010 0.000 2.060 367 E HA -0.125 4.225 4.350 -0.000 0.000 0.189 367 E C 1.938 178.552 176.600 0.023 0.000 0.974 367 E CA 0.629 57.067 56.400 0.063 0.000 0.808 367 E CB 0.100 29.892 29.700 0.154 0.000 0.768 367 E HN 0.311 nan 8.360 nan 0.000 0.453 368 I N -0.038 120.476 120.570 -0.092 0.000 3.334 368 I HA -0.003 4.167 4.170 -0.000 0.000 0.282 368 I C 2.194 178.227 176.117 -0.141 0.000 1.313 368 I CA 0.522 61.701 61.300 -0.201 0.000 1.396 368 I CB -0.490 37.319 38.000 -0.319 0.000 1.054 368 I HN 0.029 nan 8.210 nan 0.000 0.495 369 A N 3.159 125.928 122.820 -0.085 0.000 1.855 369 A HA -0.098 4.222 4.320 -0.000 0.000 0.213 369 A C 2.471 180.031 177.584 -0.040 0.000 1.195 369 A CA 0.850 52.846 52.037 -0.069 0.000 0.610 369 A CB -0.376 18.592 19.000 -0.053 0.000 0.837 369 A HN 0.535 nan 8.150 nan 0.000 0.444 370 R N -1.443 119.049 120.500 -0.014 0.000 2.313 370 R HA 0.148 4.488 4.340 -0.000 0.000 0.199 370 R C 1.378 177.692 176.300 0.022 0.000 0.958 370 R CA 0.169 56.273 56.100 0.007 0.000 1.047 370 R CB -0.053 30.258 30.300 0.017 0.000 0.955 370 R HN 0.208 nan 8.270 nan 0.000 0.481 371 R N 0.868 121.378 120.500 0.017 0.000 2.075 371 R HA 0.205 4.545 4.340 -0.000 0.000 0.220 371 R C 1.911 178.214 176.300 0.005 0.000 1.118 371 R CA 1.076 57.201 56.100 0.041 0.000 0.986 371 R CB -0.229 30.111 30.300 0.066 0.000 0.884 371 R HN 0.310 nan 8.270 nan 0.000 0.439 372 M N -0.231 119.331 119.600 -0.062 0.000 2.492 372 M HA 0.086 4.566 4.480 -0.000 0.000 0.255 372 M C 1.380 177.685 176.300 0.007 0.000 1.139 372 M CA 0.680 55.923 55.300 -0.096 0.000 1.096 372 M CB 0.193 32.586 32.600 -0.345 0.000 1.360 372 M HN -0.082 nan 8.290 nan 0.000 0.480 373 T N 0.921 115.474 114.554 -0.002 0.000 2.995 373 T HA 0.053 4.403 4.350 -0.000 0.000 0.269 373 T C 1.795 176.514 174.700 0.031 0.000 1.091 373 T CA 1.334 63.445 62.100 0.018 0.000 1.128 373 T CB 0.038 68.907 68.868 0.001 0.000 0.891 373 T HN 0.458 nan 8.240 nan 0.000 0.492 374 A N 0.929 123.769 122.820 0.034 0.000 2.132 374 A HA 0.074 4.394 4.320 -0.000 0.000 0.213 374 A C 1.673 179.289 177.584 0.053 0.000 1.154 374 A CA 0.557 52.616 52.037 0.037 0.000 0.753 374 A CB -0.020 19.002 19.000 0.036 0.000 0.826 374 A HN 0.222 nan 8.150 nan 0.000 0.469 375 D N -0.564 119.888 120.400 0.086 0.000 2.349 375 D HA 0.221 4.861 4.640 -0.000 0.000 0.224 375 D C 1.397 177.744 176.300 0.079 0.000 1.029 375 D CA 1.150 55.225 54.000 0.124 0.000 0.879 375 D CB 0.184 41.124 40.800 0.232 0.000 0.906 375 D HN 0.559 nan 8.370 nan 0.000 0.528 376 G N 0.331 109.157 108.800 0.043 0.000 2.175 376 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 376 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 376 G C 0.495 175.357 174.900 -0.063 0.000 0.982 376 G CA -0.177 44.910 45.100 -0.022 0.000 0.641 376 G HN 0.403 nan 8.290 nan 0.000 0.527 377 H N 0.605 119.642 119.070 -0.055 0.000 2.598 377 H HA 0.388 4.944 4.556 -0.000 0.000 0.371 377 H C 0.555 175.844 175.328 -0.064 0.000 1.468 377 H CA 1.384 57.380 56.048 -0.086 0.000 1.454 377 H CB 0.607 30.282 29.762 -0.146 0.000 1.579 377 H HN 0.273 nan 8.280 nan 0.000 0.611 378 T N 0.449 115.057 114.554 0.090 0.000 3.332 378 T HA 0.328 4.678 4.350 -0.000 0.000 0.385 378 T C 0.128 174.856 174.700 0.047 0.000 1.695 378 T CA -0.670 61.456 62.100 0.044 0.000 1.397 378 T CB -0.384 68.498 68.868 0.023 0.000 1.100 378 T HN 0.123 nan 8.240 nan 0.000 0.669 379 V N 1.727 121.653 119.914 0.020 0.000 2.881 379 V HA 0.714 4.834 4.120 -0.000 0.000 0.303 379 V C 0.511 176.602 176.094 -0.004 0.000 1.070 379 V CA -0.614 61.678 62.300 -0.014 0.000 1.074 379 V CB 1.136 32.928 31.823 -0.051 0.000 1.012 379 V HN 0.993 nan 8.190 nan 0.000 0.482 380 A N 2.987 125.785 122.820 -0.037 0.000 2.457 380 A HA 0.525 4.845 4.320 -0.000 0.000 0.283 380 A C -0.598 176.906 177.584 -0.134 0.000 1.166 380 A CA -0.305 51.692 52.037 -0.068 0.000 0.740 380 A CB 1.110 20.071 19.000 -0.064 0.000 1.181 380 A HN 0.935 nan 8.150 nan 0.000 0.446 381 C N 5.593 124.828 119.300 -0.108 0.000 2.787 381 C HA 0.594 5.054 4.460 -0.000 0.000 0.265 381 C C -0.116 174.811 174.990 -0.106 0.000 1.190 381 C CA -0.545 58.402 59.018 -0.118 0.000 1.616 381 C CB -2.226 25.460 27.740 -0.090 0.000 1.732 381 C HN 0.771 nan 8.230 nan 0.000 0.433 382 L N 4.493 125.637 121.223 -0.131 0.000 2.456 382 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 382 L C 1.119 177.936 176.870 -0.088 0.000 1.189 382 L CA 0.857 55.633 54.840 -0.106 0.000 0.846 382 L CB 1.086 43.070 42.059 -0.125 0.000 1.111 382 L HN 0.740 nan 8.230 nan 0.000 0.475 390 Q N 0.061 119.850 119.800 -0.017 0.000 2.404 390 Q HA -0.217 4.123 4.340 -0.000 0.000 0.214 390 Q C 1.868 177.855 176.000 -0.023 0.000 0.992 390 Q CA 2.040 57.832 55.803 -0.018 0.000 0.899 390 Q CB -0.157 28.570 28.738 -0.019 0.000 0.921 390 Q HN 0.555 nan 8.270 nan 0.000 0.453 391 R N -0.248 120.238 120.500 -0.025 0.000 2.093 391 R HA -0.098 4.242 4.340 -0.000 0.000 0.224 391 R C 1.732 178.017 176.300 -0.025 0.000 1.101 391 R CA 1.363 57.445 56.100 -0.030 0.000 0.979 391 R CB -0.123 30.158 30.300 -0.031 0.000 0.877 391 R HN 0.333 nan 8.270 nan 0.000 0.441 392 D N 0.655 121.045 120.400 -0.017 0.000 2.085 392 D HA -0.063 4.577 4.640 -0.000 0.000 0.199 392 D C 0.647 176.946 176.300 -0.002 0.000 0.981 392 D CA 1.275 55.269 54.000 -0.010 0.000 0.834 392 D CB 0.039 40.833 40.800 -0.009 0.000 0.992 392 D HN 0.166 nan 8.370 nan 0.000 0.457 393 A N -0.283 122.535 122.820 -0.002 0.000 2.988 393 A HA 0.349 4.669 4.320 -0.000 0.000 0.288 393 A C 1.044 178.632 177.584 0.005 0.000 1.385 393 A CA -0.194 51.846 52.037 0.004 0.000 1.001 393 A CB -0.539 18.462 19.000 0.002 0.000 1.071 393 A HN 0.390 nan 8.150 nan 0.000 0.608 394 I N -2.269 118.303 120.570 0.003 0.000 4.526 394 I HA 0.123 4.293 4.170 -0.000 0.000 0.330 394 I C 1.750 177.876 176.117 0.015 0.000 1.323 394 I CA 0.386 61.688 61.300 0.004 0.000 1.218 394 I CB 0.306 38.297 38.000 -0.014 0.000 1.233 394 I HN 0.403 nan 8.210 nan 0.000 0.430 395 M N 0.302 119.910 119.600 0.015 0.000 2.510 395 M HA -0.038 4.442 4.480 -0.000 0.000 0.256 395 M C 1.341 177.704 176.300 0.106 0.000 1.132 395 M CA 1.084 56.405 55.300 0.036 0.000 1.105 395 M CB 0.105 32.703 32.600 -0.003 0.000 1.375 395 M HN 0.010 nan 8.290 nan 0.000 0.477 396 D N -0.252 120.189 120.400 0.069 0.000 2.224 396 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 396 D C 1.447 177.791 176.300 0.074 0.000 0.965 396 D CA 0.978 55.017 54.000 0.065 0.000 0.852 396 D CB 0.245 41.066 40.800 0.035 0.000 0.947 396 D HN 0.147 nan 8.370 nan 0.000 0.494 397 S N -0.683 115.065 115.700 0.080 0.000 2.603 397 S HA -0.013 4.457 4.470 -0.000 0.000 0.229 397 S C 1.142 175.822 174.600 0.133 0.000 0.972 397 S CA -0.045 58.200 58.200 0.075 0.000 0.935 397 S CB -0.090 63.146 63.200 0.060 0.000 0.769 397 S HN 0.292 nan 8.310 nan 0.000 0.536 398 F N 1.851 121.791 119.950 -0.017 0.000 2.592 398 F HA 0.273 4.800 4.527 -0.000 0.000 0.280 398 F C 2.017 177.812 175.800 -0.009 0.000 1.083 398 F CA -0.038 57.951 58.000 -0.017 0.000 1.365 398 F CB 0.184 39.169 39.000 -0.025 0.000 1.100 398 F HN -0.060 nan 8.300 nan 0.000 0.633 399 R N -0.276 120.277 120.500 0.088 0.000 2.062 399 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 399 R C 2.138 178.408 176.300 -0.049 0.000 1.128 399 R CA 1.352 57.456 56.100 0.006 0.000 0.960 399 R CB -1.303 29.033 30.300 0.061 0.000 0.855 399 R HN 0.273 nan 8.270 nan 0.000 0.432 400 V N 0.636 120.537 119.914 -0.022 0.000 2.282 400 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 400 V C 1.394 177.453 176.094 -0.058 0.000 1.057 400 V CA 2.673 64.956 62.300 -0.029 0.000 1.032 400 V CB -0.368 31.448 31.823 -0.011 0.000 0.645 400 V HN 0.742 nan 8.190 nan 0.000 0.447 401 G N -2.283 106.465 108.800 -0.087 0.000 2.321 401 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.174 401 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.174 401 G C 0.782 175.628 174.900 -0.089 0.000 1.008 401 G CA 1.027 46.060 45.100 -0.112 0.000 0.739 401 G HN 0.814 nan 8.290 nan 0.000 0.502 402 T N -0.674 113.845 114.554 -0.059 0.000 2.668 402 T HA 0.216 4.566 4.350 -0.000 0.000 0.262 402 T C 1.748 176.431 174.700 -0.029 0.000 1.045 402 T CA 1.773 63.854 62.100 -0.032 0.000 1.152 402 T CB -0.237 68.627 68.868 -0.006 0.000 0.864 402 T HN 0.406 nan 8.240 nan 0.000 0.419 403 S N 0.963 116.655 115.700 -0.013 0.000 2.641 403 S HA 0.428 4.898 4.470 -0.000 0.000 0.261 403 S C 0.899 175.464 174.600 -0.059 0.000 1.257 403 S CA -0.799 57.422 58.200 0.035 0.000 0.983 403 S CB 0.845 64.181 63.200 0.228 0.000 0.990 403 S HN 0.353 nan 8.310 nan 0.000 0.572 404 K N -0.555 119.861 120.400 0.027 0.000 2.631 404 K HA 0.273 4.593 4.320 -0.000 0.000 0.200 404 K C -0.210 176.536 176.600 0.244 0.000 1.481 404 K CA 0.340 56.624 56.287 -0.005 0.000 1.087 404 K CB 0.001 32.517 32.500 0.026 0.000 1.502 404 K HN 0.372 nan 8.250 nan 0.000 0.560 405 V N 2.695 122.748 119.914 0.233 0.000 2.644 405 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 405 V C -0.427 175.749 176.094 0.135 0.000 1.053 405 V CA -0.734 61.660 62.300 0.157 0.000 0.987 405 V CB 1.637 33.403 31.823 -0.097 0.000 1.006 405 V HN 0.125 nan 8.190 nan 0.000 0.472 406 L N 5.314 126.485 121.223 -0.086 0.000 2.489 406 L HA 0.500 4.840 4.340 -0.000 0.000 0.257 406 L C -0.546 176.097 176.870 -0.378 0.000 1.215 406 L CA 0.002 54.608 54.840 -0.389 0.000 0.915 406 L CB 1.407 42.912 42.059 -0.923 0.000 1.146 406 L HN 0.501 nan 8.230 nan 0.000 0.494 407 V N 3.575 123.321 119.914 -0.281 0.000 2.637 407 V HA 0.629 4.749 4.120 -0.000 0.000 0.296 407 V C -0.053 175.862 176.094 -0.298 0.000 1.046 407 V CA 0.797 62.931 62.300 -0.276 0.000 1.066 407 V CB 1.310 33.017 31.823 -0.194 0.000 0.968 407 V HN 0.907 nan 8.190 nan 0.000 0.483 408 T N 2.971 117.327 114.554 -0.329 0.000 3.172 408 T HA 0.302 4.652 4.350 -0.000 0.000 0.320 408 T C 0.517 175.155 174.700 -0.103 0.000 1.085 408 T CA 0.084 62.027 62.100 -0.261 0.000 1.052 408 T CB 1.376 70.013 68.868 -0.384 0.000 1.107 408 T HN 0.921 nan 8.240 nan 0.000 0.458 409 T N 1.774 116.306 114.554 -0.037 0.000 3.148 409 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 409 T C 0.840 175.583 174.700 0.072 0.000 1.134 409 T CA -0.124 61.994 62.100 0.029 0.000 1.051 409 T CB -0.433 68.438 68.868 0.005 0.000 0.959 409 T HN 0.520 nan 8.240 nan 0.000 0.525 417 D N 3.080 123.540 120.400 0.100 0.000 2.351 417 D HA 0.259 4.899 4.640 -0.000 0.000 0.235 417 D C -0.655 175.719 176.300 0.123 0.000 1.331 417 D CA -0.078 54.002 54.000 0.134 0.000 0.959 417 D CB 2.438 43.322 40.800 0.139 0.000 1.432 417 D HN 0.101 nan 8.370 nan 0.000 0.544 418 V N 2.155 122.156 119.914 0.146 0.000 2.555 418 V HA 0.153 4.273 4.120 -0.000 0.000 0.286 418 V C 2.173 178.314 176.094 0.078 0.000 1.044 418 V CA 0.186 62.547 62.300 0.101 0.000 1.026 418 V CB 0.811 32.689 31.823 0.092 0.000 0.981 418 V HN 0.604 nan 8.190 nan 0.000 0.480 419 S N 2.846 118.578 115.700 0.053 0.000 2.429 419 S HA -0.400 4.070 4.470 -0.000 0.000 0.251 419 S C 1.672 176.293 174.600 0.034 0.000 1.104 419 S CA 2.310 60.533 58.200 0.038 0.000 1.130 419 S CB -0.754 62.461 63.200 0.025 0.000 1.000 419 S HN 0.847 nan 8.310 nan 0.000 0.449 420 Q N 1.240 121.054 119.800 0.024 0.000 2.103 420 Q HA -0.105 4.235 4.340 -0.000 0.000 0.213 420 Q C 1.359 177.368 176.000 0.015 0.000 1.008 420 Q CA 1.338 57.144 55.803 0.005 0.000 0.879 420 Q CB -1.574 27.149 28.738 -0.025 0.000 0.946 420 Q HN 0.610 nan 8.270 nan 0.000 0.413 421 V N 2.496 122.433 119.914 0.039 0.000 2.975 421 V HA -0.161 3.959 4.120 -0.000 0.000 0.300 421 V C 1.568 177.698 176.094 0.060 0.000 1.186 421 V CA 1.084 63.425 62.300 0.069 0.000 1.311 421 V CB 0.334 32.246 31.823 0.149 0.000 0.917 421 V HN 0.484 nan 8.190 nan 0.000 0.512 422 N N 1.905 120.644 118.700 0.065 0.000 2.474 422 N HA 0.201 4.941 4.740 -0.000 0.000 0.224 422 N C -0.132 175.413 175.510 0.058 0.000 1.092 422 N CA -0.060 53.020 53.050 0.050 0.000 0.844 422 N CB 0.524 39.032 38.487 0.036 0.000 1.381 422 N HN 0.547 nan 8.380 nan 0.000 0.458 423 L N 2.179 123.452 121.223 0.084 0.000 2.329 423 L HA 0.594 4.933 4.340 -0.000 0.000 0.279 423 L C -0.456 176.491 176.870 0.128 0.000 1.014 423 L CA -0.854 54.037 54.840 0.086 0.000 0.814 423 L CB 2.163 44.261 42.059 0.064 0.000 1.257 423 L HN -0.277 nan 8.230 nan 0.000 0.424 424 V N 2.527 122.516 119.914 0.126 0.000 2.881 424 V HA 0.607 4.727 4.120 -0.000 0.000 0.316 424 V C -0.164 176.046 176.094 0.193 0.000 1.070 424 V CA -0.695 61.715 62.300 0.183 0.000 0.976 424 V CB 2.805 34.737 31.823 0.182 0.000 1.038 424 V HN 0.484 nan 8.190 nan 0.000 0.446 425 V N 2.308 122.367 119.914 0.241 0.000 2.638 425 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 425 V C -0.540 175.711 176.094 0.263 0.000 1.052 425 V CA -0.623 61.821 62.300 0.241 0.000 0.885 425 V CB 1.929 33.860 31.823 0.180 0.000 0.999 425 V HN 0.966 nan 8.190 nan 0.000 0.424 439 P HA -0.175 nan 4.420 nan 0.000 0.220 439 P C 1.445 178.813 177.300 0.113 0.000 1.148 439 P CA 0.792 63.832 63.100 -0.099 0.000 0.803 439 P CB 0.545 31.828 31.700 -0.694 0.000 0.782 440 Q N 0.029 119.810 119.800 -0.031 0.000 2.082 440 Q HA -0.152 4.188 4.340 -0.000 0.000 0.211 440 Q C 2.121 178.257 176.000 0.227 0.000 1.002 440 Q CA 2.407 58.284 55.803 0.123 0.000 0.868 440 Q CB -1.740 27.061 28.738 0.106 0.000 0.931 440 Q HN 0.353 nan 8.270 nan 0.000 0.414 441 T N 0.297 114.953 114.554 0.170 0.000 2.881 441 T HA -0.176 4.174 4.350 -0.000 0.000 0.270 441 T C 1.584 176.331 174.700 0.078 0.000 1.068 441 T CA 1.323 63.495 62.100 0.120 0.000 1.131 441 T CB -0.440 68.430 68.868 0.003 0.000 0.871 441 T HN 0.305 nan 8.240 nan 0.000 0.479 442 Y N 1.721 122.011 120.300 -0.017 0.000 2.263 442 Y HA 0.081 4.631 4.550 -0.000 0.000 0.292 442 Y C 2.058 177.875 175.900 -0.139 0.000 1.130 442 Y CA 0.468 58.524 58.100 -0.073 0.000 1.179 442 Y CB -0.499 37.971 38.460 0.016 0.000 0.998 442 Y HN 0.170 nan 8.280 nan 0.000 0.532 443 L N -0.788 120.301 121.223 -0.223 0.000 2.072 443 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 443 L C 2.286 178.996 176.870 -0.267 0.000 1.079 443 L CA 1.793 56.385 54.840 -0.414 0.000 0.752 443 L CB -1.010 40.821 42.059 -0.382 0.000 0.906 443 L HN 0.201 nan 8.230 nan 0.000 0.436 444 H N 0.248 119.240 119.070 -0.129 0.000 2.492 444 H HA -0.114 4.441 4.556 -0.000 0.000 0.296 444 H C 1.731 176.980 175.328 -0.132 0.000 1.095 444 H CA 1.593 57.583 56.048 -0.097 0.000 1.281 444 H CB 0.120 29.844 29.762 -0.063 0.000 1.374 444 H HN 0.424 nan 8.280 nan 0.000 0.545 445 R N -0.432 119.993 120.500 -0.125 0.000 2.397 445 R HA 0.184 4.524 4.340 -0.000 0.000 0.241 445 R C 1.238 177.440 176.300 -0.163 0.000 0.914 445 R CA 0.213 56.205 56.100 -0.181 0.000 1.071 445 R CB 0.813 30.851 30.300 -0.436 0.000 1.116 445 R HN 0.258 nan 8.270 nan 0.000 0.524 446 I N -3.117 117.303 120.570 -0.249 0.000 4.779 446 I HA 0.283 4.453 4.170 -0.000 0.000 0.339 446 I C 0.934 176.948 176.117 -0.172 0.000 1.293 446 I CA -0.419 60.752 61.300 -0.214 0.000 1.324 446 I CB 0.940 38.745 38.000 -0.325 0.000 1.424 446 I HN -0.134 nan 8.210 nan 0.000 0.489 447 G N 4.646 113.335 108.800 -0.186 0.000 2.508 447 G HA2 0.294 4.254 3.960 -0.000 0.000 0.301 447 G HA3 0.294 4.254 3.960 -0.000 0.000 0.301 447 G C 0.445 175.300 174.900 -0.076 0.000 0.965 447 G CA -0.391 44.625 45.100 -0.141 0.000 1.339 447 G HN 0.272 nan 8.290 nan 0.000 0.455 448 R N 0.792 121.261 120.500 -0.051 0.000 2.707 448 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 448 R C -0.515 175.780 176.300 -0.007 0.000 1.083 448 R CA -0.462 55.628 56.100 -0.017 0.000 1.182 448 R CB 0.658 30.953 30.300 -0.009 0.000 1.084 448 R HN 0.234 nan 8.270 nan 0.000 0.528 449 T N -0.433 114.127 114.554 0.010 0.000 3.223 449 T HA 0.479 4.829 4.350 -0.000 0.000 0.334 449 T C -0.748 173.964 174.700 0.021 0.000 0.940 449 T CA 0.239 62.347 62.100 0.014 0.000 1.272 449 T CB -0.060 68.820 68.868 0.021 0.000 0.982 449 T HN 1.078 nan 8.240 nan 0.000 0.512 456 G N 4.026 112.826 108.800 -0.001 0.000 2.519 456 G HA2 0.489 4.449 3.960 -0.000 0.000 0.161 456 G HA3 0.489 4.449 3.960 -0.000 0.000 0.161 456 G C 0.356 175.258 174.900 0.004 0.000 1.671 456 G CA 0.889 45.992 45.100 0.005 0.000 1.028 456 G HN 1.916 nan 8.290 nan 0.000 0.486 457 V N -4.656 115.264 119.914 0.011 0.000 3.165 457 V HA 0.825 4.945 4.120 -0.000 0.000 0.309 457 V C -0.507 175.604 176.094 0.027 0.000 1.267 457 V CA -0.267 62.043 62.300 0.017 0.000 1.067 457 V CB 1.575 33.409 31.823 0.019 0.000 1.082 457 V HN 0.931 nan 8.190 nan 0.000 0.451 458 S N 1.551 117.282 115.700 0.051 0.000 2.524 458 S HA 0.570 5.040 4.470 -0.000 0.000 0.227 458 S C -0.818 173.869 174.600 0.145 0.000 1.304 458 S CA -0.597 57.659 58.200 0.093 0.000 1.185 458 S CB -0.088 63.160 63.200 0.081 0.000 1.104 458 S HN 0.691 nan 8.310 nan 0.000 0.475 459 I N 4.474 125.130 120.570 0.143 0.000 2.379 459 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 459 I C 0.691 176.959 176.117 0.252 0.000 1.063 459 I CA -0.129 61.264 61.300 0.155 0.000 1.351 459 I CB -0.021 38.053 38.000 0.124 0.000 1.410 459 I HN 0.565 nan 8.210 nan 0.000 0.505 460 N N 5.245 124.079 118.700 0.223 0.000 2.466 460 N HA 0.500 5.239 4.740 -0.000 0.000 0.294 460 N C -1.237 174.421 175.510 0.246 0.000 1.129 460 N CA -0.385 52.822 53.050 0.262 0.000 0.931 460 N CB 1.966 40.537 38.487 0.140 0.000 1.193 460 N HN 0.197 nan 8.380 nan 0.000 0.500 461 F N 0.556 120.568 119.950 0.104 0.000 2.508 461 F HA 0.418 4.945 4.527 -0.000 0.000 0.325 461 F C 0.239 176.103 175.800 0.107 0.000 1.090 461 F CA -0.791 57.282 58.000 0.121 0.000 0.945 461 F CB 1.570 40.646 39.000 0.127 0.000 1.156 461 F HN 0.050 nan 8.300 nan 0.000 0.463 462 V N 0.169 120.217 119.914 0.224 0.000 2.735 462 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 462 V C -1.037 175.286 176.094 0.382 0.000 1.061 462 V CA -0.597 61.821 62.300 0.198 0.000 0.913 462 V CB 1.696 33.435 31.823 -0.140 0.000 1.005 462 V HN 0.881 nan 8.190 nan 0.000 0.428 463 H N 1.977 121.260 119.070 0.354 0.000 2.495 463 H HA 0.427 4.983 4.556 -0.000 0.000 0.348 463 H C 0.534 176.065 175.328 0.339 0.000 1.113 463 H CA 0.303 56.529 56.048 0.298 0.000 1.195 463 H CB 2.290 32.158 29.762 0.177 0.000 1.521 463 H HN 0.969 nan 8.280 nan 0.000 0.509 464 D N 2.928 123.170 120.400 -0.262 0.000 2.204 464 D HA -0.254 4.386 4.640 -0.000 0.000 0.189 464 D C 1.595 177.647 176.300 -0.413 0.000 1.006 464 D CA 3.187 56.848 54.000 -0.565 0.000 0.855 464 D CB 0.413 40.866 40.800 -0.578 0.000 0.946 464 D HN 0.755 nan 8.370 nan 0.000 0.448 465 K N -1.164 119.236 120.400 0.000 0.000 2.365 465 K HA 0.127 4.447 4.320 -0.000 0.000 0.195 465 K C 1.979 178.690 176.600 0.184 0.000 1.079 465 K CA -0.078 56.245 56.287 0.060 0.000 0.979 465 K CB 0.167 32.677 32.500 0.017 0.000 0.929 465 K HN -0.096 nan 8.250 nan 0.000 0.523 466 K N 2.049 122.641 120.400 0.320 0.000 2.002 466 K HA -0.008 4.312 4.320 -0.000 0.000 0.209 466 K C 1.041 177.732 176.600 0.151 0.000 1.048 466 K CA 1.664 58.005 56.287 0.090 0.000 0.930 466 K CB -0.038 32.314 32.500 -0.247 0.000 0.714 466 K HN 0.161 nan 8.250 nan 0.000 0.438 467 S N -1.796 114.080 115.700 0.294 0.000 2.430 467 S HA 0.162 4.632 4.470 -0.000 0.000 0.246 467 S C -0.123 174.697 174.600 0.367 0.000 1.155 467 S CA 0.062 58.418 58.200 0.259 0.000 1.054 467 S CB -0.486 62.866 63.200 0.254 0.000 1.154 467 S HN 0.473 nan 8.310 nan 0.000 0.482 468 W N 1.097 122.391 121.300 -0.010 0.000 3.615 468 W HA -0.218 4.442 4.660 -0.000 0.000 0.291 468 W C 0.984 177.482 176.519 -0.036 0.000 1.080 468 W CA 1.049 58.375 57.345 -0.031 0.000 0.658 468 W CB -1.158 28.307 29.460 0.009 0.000 2.109 468 W HN 0.587 nan 8.180 nan 0.000 1.523 469 E N -2.834 117.461 120.200 0.160 0.000 3.027 469 E HA 0.010 4.360 4.350 -0.000 0.000 0.221 469 E C 1.538 178.154 176.600 0.026 0.000 1.070 469 E CA 0.541 56.991 56.400 0.083 0.000 1.705 469 E CB -0.621 29.132 29.700 0.088 0.000 1.998 469 E HN 0.060 nan 8.360 nan 0.000 0.976 470 E N 1.446 121.662 120.200 0.027 0.000 2.085 470 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 470 E C 1.948 178.506 176.600 -0.071 0.000 0.994 470 E CA 1.252 57.644 56.400 -0.014 0.000 0.801 470 E CB -0.040 29.661 29.700 0.002 0.000 0.743 470 E HN 0.115 nan 8.360 nan 0.000 0.453 471 M N -0.221 119.317 119.600 -0.103 0.000 2.319 471 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 471 M C 1.349 177.556 176.300 -0.156 0.000 1.068 471 M CA 0.778 55.962 55.300 -0.195 0.000 1.118 471 M CB -0.031 32.386 32.600 -0.306 0.000 1.395 471 M HN 0.012 nan 8.290 nan 0.000 0.435 472 N N 0.296 118.940 118.700 -0.094 0.000 2.461 472 N HA 0.071 4.811 4.740 -0.000 0.000 0.188 472 N C 1.129 176.622 175.510 -0.029 0.000 1.134 472 N CA 0.734 53.749 53.050 -0.059 0.000 0.878 472 N CB 0.211 38.688 38.487 -0.017 0.000 0.972 472 N HN 0.270 nan 8.380 nan 0.000 0.456 473 A N -0.483 122.318 122.820 -0.031 0.000 1.956 473 A HA 0.218 4.537 4.320 -0.000 0.000 0.212 473 A C 2.076 179.661 177.584 0.002 0.000 1.188 473 A CA 0.237 52.268 52.037 -0.011 0.000 0.675 473 A CB -0.126 18.863 19.000 -0.019 0.000 0.845 473 A HN 0.232 nan 8.150 nan 0.000 0.455 474 I N 0.437 120.985 120.570 -0.036 0.000 2.162 474 I HA -0.261 3.909 4.170 -0.000 0.000 0.238 474 I C 2.843 179.026 176.117 0.111 0.000 1.076 474 I CA 1.606 62.906 61.300 -0.000 0.000 1.353 474 I CB -0.316 37.586 38.000 -0.165 0.000 1.063 474 I HN 0.580 nan 8.210 nan 0.000 0.408 475 Q N 0.507 120.316 119.800 0.014 0.000 2.364 475 Q HA -0.223 4.117 4.340 -0.000 0.000 0.209 475 Q C 1.630 177.678 176.000 0.080 0.000 0.977 475 Q CA 1.336 57.176 55.803 0.061 0.000 0.885 475 Q CB -0.161 28.551 28.738 -0.044 0.000 0.941 475 Q HN 0.498 nan 8.270 nan 0.000 0.464 476 E N -0.245 119.985 120.200 0.052 0.000 2.307 476 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 476 E C 1.373 177.984 176.600 0.018 0.000 0.975 476 E CA 0.056 56.473 56.400 0.028 0.000 0.878 476 E CB -0.065 29.639 29.700 0.007 0.000 0.845 476 E HN 0.458 nan 8.360 nan 0.000 0.488 477 Y N 0.461 120.694 120.300 -0.110 0.000 2.036 477 Y HA -0.252 4.298 4.550 -0.000 0.000 0.273 477 Y C 1.689 177.446 175.900 -0.237 0.000 1.135 477 Y CA 1.992 59.937 58.100 -0.258 0.000 1.106 477 Y CB -0.419 37.750 38.460 -0.485 0.000 0.976 477 Y HN -0.072 nan 8.280 nan 0.000 0.483 478 F N 0.791 120.890 119.950 0.248 0.000 2.802 478 F HA 0.044 4.571 4.527 -0.000 0.000 0.300 478 F C 1.322 177.152 175.800 0.050 0.000 1.168 478 F CA 0.851 58.942 58.000 0.151 0.000 1.433 478 F CB -0.958 38.180 39.000 0.230 0.000 1.115 478 F HN 0.136 nan 8.300 nan 0.000 0.582 479 Q N 1.318 121.204 119.800 0.144 0.000 2.346 479 Q HA -0.265 4.074 4.340 -0.000 0.000 0.302 479 Q C -0.184 175.871 176.000 0.092 0.000 1.196 479 Q CA 0.548 56.397 55.803 0.075 0.000 0.929 479 Q CB -0.814 27.931 28.738 0.011 0.000 1.245 479 Q HN 0.568 nan 8.270 nan 0.000 0.502 480 R N 0.082 120.663 120.500 0.135 0.000 2.312 480 R HA 0.463 4.803 4.340 -0.000 0.000 0.310 480 R C -2.095 174.258 176.300 0.089 0.000 1.064 480 R CA -1.708 54.453 56.100 0.102 0.000 0.983 480 R CB 0.618 30.983 30.300 0.109 0.000 1.139 480 R HN -0.039 nan 8.270 nan 0.000 0.536 481 P HA 0.000 nan 4.420 nan 0.000 0.216 481 P CA 0.000 63.133 63.100 0.054 0.000 0.800 481 P CB 0.000 31.725 31.700 0.042 0.000 0.726