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 1i7w_1_A DATA FIRST_RESID 149 DATA SEQUENCE ATRAIPELTK LLNDEDQVVV NKAAVMVHQL SKKEASRHAI MRSPQMVSAI DATA SEQUENCE VRTMQNTNDV ETARCTAGTL HNLSHHREGL LAIFKSGGIP ALVKMLGSPV DATA SEQUENCE DSVLFYAITT LHNLLLHQEG AKMAVRLAGG LQKMVALLNK TNVKFLAITT DATA SEQUENCE DCLQILAYGN QESKLIILAS GGPQALVNIM RTYTYEKLLW TTSRVLKVLS DATA SEQUENCE VCSSNKPAIV EAGGMQALGL HLTDPSQRLV QNCLWTLRNL SDAATKQEGM DATA SEQUENCE EGLLGTLVQL LGSDDINVVT CAAGILSNLT CNNYKNKMMV CQVGGIEALV DATA SEQUENCE RTVLRAGDRE DITEPAICAL RHLTSRHQEA EMAQNAVRLH YGLPVVVKLL DATA SEQUENCE HPPSHWPLIK ATVGLIRNLA LCPANHAPLR EQGAIPRLVQ LLVRAHQDTQ DATA SEQUENCE RXXXXXXXXX XXXXXVRMEE IVEGCTGALH ILARDVHNRI VIRGLNTIPL DATA SEQUENCE FVQLLYSPIE NIQRVAAGVL CELAQDKEAA EAIEAEGATA PLTELLHSRN DATA SEQUENCE EGVATYAAAV LFRM 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 149 A HA 0.000 nan 4.320 nan 0.000 0.244 149 A C 0.000 177.585 177.584 0.001 0.000 1.274 149 A CA 0.000 52.038 52.037 0.001 0.000 0.836 149 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 150 T N 1.111 115.664 114.554 -0.001 0.000 2.721 150 T HA -0.151 4.199 4.350 0.000 0.000 0.268 150 T C 2.327 177.027 174.700 0.000 0.000 1.038 150 T CA 3.223 65.323 62.100 -0.001 0.000 1.145 150 T CB -0.526 68.340 68.868 -0.003 0.000 0.858 150 T HN 0.808 nan 8.240 nan 0.000 0.459 151 R N 0.760 121.260 120.500 0.000 0.000 2.090 151 R HA 0.431 4.771 4.340 0.000 0.000 0.228 151 R C 2.590 178.891 176.300 0.002 0.000 1.110 151 R CA 1.552 57.652 56.100 0.001 0.000 0.973 151 R CB -1.301 28.999 30.300 0.000 0.000 0.869 151 R HN 0.531 nan 8.270 nan 0.000 0.440 152 A N 1.057 123.879 122.820 0.003 0.000 1.929 152 A HA 0.102 4.422 4.320 0.000 0.000 0.216 152 A C 2.215 179.802 177.584 0.006 0.000 1.176 152 A CA 1.178 53.218 52.037 0.005 0.000 0.628 152 A CB -0.167 18.837 19.000 0.006 0.000 0.816 152 A HN 0.379 nan 8.150 nan 0.000 0.444 153 I N 0.423 120.997 120.570 0.006 0.000 2.103 153 I HA -0.239 3.931 4.170 0.000 0.000 0.241 153 I C -0.338 175.783 176.117 0.006 0.000 1.036 153 I CA 1.931 63.235 61.300 0.007 0.000 1.300 153 I CB -2.571 35.433 38.000 0.006 0.000 1.010 153 I HN 0.171 nan 8.210 nan 0.000 0.406 154 P HA -0.131 nan 4.420 nan 0.000 0.218 154 P C 1.634 178.936 177.300 0.004 0.000 1.148 154 P CA 1.295 64.397 63.100 0.004 0.000 0.822 154 P CB 0.030 31.731 31.700 0.002 0.000 0.784 155 E N -0.384 119.819 120.200 0.005 0.000 2.015 155 E HA -0.082 4.268 4.350 0.000 0.000 0.191 155 E C 2.136 178.740 176.600 0.007 0.000 0.991 155 E CA 1.025 57.428 56.400 0.005 0.000 0.802 155 E CB -1.125 28.578 29.700 0.006 0.000 0.759 155 E HN 0.263 nan 8.360 nan 0.000 0.447 156 L N 1.051 122.280 121.223 0.009 0.000 2.127 156 L HA -0.192 4.148 4.340 0.000 0.000 0.211 156 L C 2.497 179.373 176.870 0.010 0.000 1.089 156 L CA 1.243 56.089 54.840 0.011 0.000 0.757 156 L CB -0.555 41.513 42.059 0.014 0.000 0.899 156 L HN 0.149 nan 8.230 nan 0.000 0.434 157 T N -0.496 114.063 114.554 0.008 0.000 2.708 157 T HA -0.216 4.134 4.350 0.000 0.000 0.266 157 T C 2.368 177.071 174.700 0.006 0.000 1.037 157 T CA 1.999 64.103 62.100 0.007 0.000 1.146 157 T CB -0.223 68.648 68.868 0.005 0.000 0.865 157 T HN 0.477 nan 8.240 nan 0.000 0.435 158 K N 1.279 121.682 120.400 0.005 0.000 2.097 158 K HA 0.097 4.417 4.320 0.000 0.000 0.206 158 K C 2.237 178.840 176.600 0.005 0.000 1.049 158 K CA 1.229 57.518 56.287 0.004 0.000 0.933 158 K CB -1.324 31.178 32.500 0.004 0.000 0.717 158 K HN 0.447 nan 8.250 nan 0.000 0.442 159 L N 0.060 121.287 121.223 0.006 0.000 2.131 159 L HA -0.068 4.272 4.340 0.000 0.000 0.210 159 L C 2.687 179.561 176.870 0.008 0.000 1.092 159 L CA 0.873 55.717 54.840 0.007 0.000 0.759 159 L CB -0.340 41.724 42.059 0.009 0.000 0.903 159 L HN 0.289 nan 8.230 nan 0.000 0.435 160 L N -0.298 120.929 121.223 0.008 0.000 2.156 160 L HA -0.131 4.209 4.340 0.000 0.000 0.208 160 L C 1.765 178.638 176.870 0.005 0.000 1.095 160 L CA 0.829 55.674 54.840 0.007 0.000 0.770 160 L CB -0.375 41.689 42.059 0.008 0.000 0.914 160 L HN 0.397 nan 8.230 nan 0.000 0.439 161 N N -0.725 117.978 118.700 0.004 0.000 2.398 161 N HA -0.048 4.692 4.740 0.000 0.000 0.188 161 N C 0.322 175.834 175.510 0.003 0.000 1.122 161 N CA 0.257 53.309 53.050 0.003 0.000 0.866 161 N CB -0.086 38.403 38.487 0.002 0.000 0.970 161 N HN 0.296 nan 8.380 nan 0.000 0.462 162 D N 1.643 122.045 120.400 0.004 0.000 2.424 162 D HA -0.022 4.618 4.640 0.000 0.000 0.244 162 D C 0.758 177.060 176.300 0.003 0.000 1.134 162 D CA 0.168 54.170 54.000 0.004 0.000 0.881 162 D CB 1.263 42.066 40.800 0.005 0.000 1.191 162 D HN 0.151 nan 8.370 nan 0.000 0.445 163 E N 1.847 122.049 120.200 0.003 0.000 2.338 163 E HA -0.132 4.218 4.350 0.000 0.000 0.197 163 E C 0.253 176.854 176.600 0.003 0.000 1.007 163 E CA 0.395 56.797 56.400 0.003 0.000 0.849 163 E CB 0.222 29.924 29.700 0.002 0.000 0.774 163 E HN 0.413 nan 8.360 nan 0.000 0.506 164 D N 1.483 121.885 120.400 0.003 0.000 2.359 164 D HA -0.031 4.609 4.640 0.000 0.000 0.250 164 D C 0.964 177.266 176.300 0.005 0.000 1.264 164 D CA -0.009 53.993 54.000 0.004 0.000 0.911 164 D CB 0.855 41.657 40.800 0.004 0.000 1.056 164 D HN -0.103 nan 8.370 nan 0.000 0.499 165 Q N 2.590 122.392 119.800 0.004 0.000 2.181 165 Q HA -0.104 4.236 4.340 0.000 0.000 0.205 165 Q C 2.071 178.074 176.000 0.006 0.000 0.980 165 Q CA 0.819 56.625 55.803 0.005 0.000 0.862 165 Q CB -0.156 28.584 28.738 0.004 0.000 0.905 165 Q HN 0.478 nan 8.270 nan 0.000 0.429 166 V N 0.236 120.154 119.914 0.006 0.000 2.392 166 V HA -0.215 3.905 4.120 0.000 0.000 0.249 166 V C 2.446 178.545 176.094 0.009 0.000 1.059 166 V CA 1.445 63.749 62.300 0.007 0.000 1.051 166 V CB -0.712 31.115 31.823 0.006 0.000 0.658 166 V HN 0.103 nan 8.190 nan 0.000 0.455 167 V N -0.348 119.571 119.914 0.008 0.000 2.307 167 V HA -0.191 3.929 4.120 0.000 0.000 0.245 167 V C 2.443 178.543 176.094 0.010 0.000 1.045 167 V CA 1.725 64.031 62.300 0.009 0.000 1.024 167 V CB -0.483 31.344 31.823 0.007 0.000 0.651 167 V HN 0.401 nan 8.190 nan 0.000 0.449 168 V N 1.202 121.121 119.914 0.009 0.000 2.252 168 V HA -0.361 3.759 4.120 0.000 0.000 0.249 168 V C 2.385 178.486 176.094 0.013 0.000 1.056 168 V CA 2.713 65.019 62.300 0.010 0.000 1.022 168 V CB -1.167 30.660 31.823 0.007 0.000 0.641 168 V HN 0.739 nan 8.190 nan 0.000 0.445 169 N N 0.484 119.192 118.700 0.013 0.000 2.018 169 N HA -0.234 4.506 4.740 0.000 0.000 0.196 169 N C 1.792 177.315 175.510 0.023 0.000 1.043 169 N CA 1.760 54.820 53.050 0.017 0.000 0.856 169 N CB -0.237 38.259 38.487 0.015 0.000 1.042 169 N HN 0.273 nan 8.380 nan 0.000 0.423 170 K N 0.556 120.969 120.400 0.021 0.000 2.044 170 K HA -0.115 4.205 4.320 0.000 0.000 0.210 170 K C 2.088 178.704 176.600 0.027 0.000 1.049 170 K CA 1.351 57.652 56.287 0.023 0.000 0.927 170 K CB -1.124 31.387 32.500 0.018 0.000 0.713 170 K HN 0.392 nan 8.250 nan 0.000 0.443 171 A N 1.641 124.475 122.820 0.022 0.000 1.859 171 A HA -0.176 4.144 4.320 0.000 0.000 0.217 171 A C 2.498 180.101 177.584 0.032 0.000 1.198 171 A CA 2.760 54.811 52.037 0.023 0.000 0.629 171 A CB -0.956 18.054 19.000 0.017 0.000 0.830 171 A HN 0.341 nan 8.150 nan 0.000 0.446 172 A N -0.742 122.097 122.820 0.030 0.000 1.948 172 A HA -0.087 4.233 4.320 0.000 0.000 0.220 172 A C 2.253 179.878 177.584 0.069 0.000 1.177 172 A CA 2.105 54.163 52.037 0.036 0.000 0.636 172 A CB -1.066 17.946 19.000 0.020 0.000 0.815 172 A HN 0.485 nan 8.150 nan 0.000 0.449 173 V N -0.537 119.420 119.914 0.072 0.000 2.295 173 V HA -0.318 3.802 4.120 0.000 0.000 0.246 173 V C 2.564 178.716 176.094 0.096 0.000 1.049 173 V CA 2.329 64.690 62.300 0.102 0.000 1.024 173 V CB -0.650 31.217 31.823 0.072 0.000 0.648 173 V HN 0.706 nan 8.190 nan 0.000 0.447 174 M N -0.346 119.290 119.600 0.061 0.000 2.086 174 M HA -0.150 4.330 4.480 0.000 0.000 0.261 174 M C 2.153 178.485 176.300 0.054 0.000 1.067 174 M CA 1.802 57.129 55.300 0.044 0.000 1.116 174 M CB -0.122 32.496 32.600 0.030 0.000 1.348 174 M HN 0.228 nan 8.290 nan 0.000 0.407 175 V N -0.202 119.750 119.914 0.063 0.000 2.332 175 V HA -0.360 3.760 4.120 0.000 0.000 0.248 175 V C 2.330 178.492 176.094 0.112 0.000 1.055 175 V CA 2.408 64.748 62.300 0.066 0.000 1.038 175 V CB -1.290 30.564 31.823 0.052 0.000 0.651 175 V HN 0.628 nan 8.190 nan 0.000 0.450 176 H N -0.223 118.851 119.070 0.006 0.000 2.267 176 H HA -0.263 4.293 4.556 0.000 0.000 0.297 176 H C 2.527 177.863 175.328 0.013 0.000 1.080 176 H CA 2.058 58.109 56.048 0.004 0.000 1.278 176 H CB 0.119 29.889 29.762 0.013 0.000 1.365 176 H HN 0.484 nan 8.280 nan 0.000 0.489 177 Q N 0.559 120.333 119.800 -0.044 0.000 2.152 177 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 177 Q C 2.503 178.475 176.000 -0.047 0.000 0.985 177 Q CA 1.626 57.359 55.803 -0.117 0.000 0.863 177 Q CB -0.035 28.667 28.738 -0.059 0.000 0.904 177 Q HN 0.563 nan 8.270 nan 0.000 0.422 178 L N 0.618 121.842 121.223 0.002 0.000 2.083 178 L HA -0.149 4.191 4.340 0.000 0.000 0.209 178 L C 2.641 179.524 176.870 0.021 0.000 1.083 178 L CA 1.336 56.183 54.840 0.012 0.000 0.752 178 L CB -0.514 41.558 42.059 0.021 0.000 0.899 178 L HN 0.366 nan 8.230 nan 0.000 0.433 179 S N -0.725 115.000 115.700 0.042 0.000 2.507 179 S HA -0.136 4.334 4.470 0.000 0.000 0.235 179 S C 1.738 176.368 174.600 0.051 0.000 0.988 179 S CA 0.598 58.834 58.200 0.060 0.000 0.944 179 S CB -0.217 63.038 63.200 0.092 0.000 0.762 179 S HN 0.416 nan 8.310 nan 0.000 0.526 180 K N 1.218 121.626 120.400 0.013 0.000 2.167 180 K HA 0.082 4.402 4.320 0.000 0.000 0.203 180 K C 1.057 177.667 176.600 0.016 0.000 1.052 180 K CA 1.220 57.508 56.287 0.002 0.000 0.956 180 K CB -0.263 32.207 32.500 -0.050 0.000 0.735 180 K HN 0.521 nan 8.250 nan 0.000 0.451 181 K N 1.491 121.899 120.400 0.012 0.000 2.227 181 K HA 0.283 4.603 4.320 0.000 0.000 0.280 181 K C 0.916 177.529 176.600 0.021 0.000 1.041 181 K CA 0.431 56.725 56.287 0.012 0.000 0.905 181 K CB 0.184 32.685 32.500 0.002 0.000 1.068 181 K HN 0.236 nan 8.250 nan 0.000 0.470 182 E N 1.649 121.862 120.200 0.022 0.000 2.070 182 E HA -0.128 4.222 4.350 0.000 0.000 0.197 182 E C 2.414 178.998 176.600 -0.026 0.000 1.004 182 E CA 2.354 58.759 56.400 0.009 0.000 0.805 182 E CB -0.884 28.814 29.700 -0.002 0.000 0.744 182 E HN 1.185 nan 8.360 nan 0.000 0.451 183 A N 1.316 124.124 122.820 -0.021 0.000 1.865 183 A HA -0.144 4.176 4.320 0.000 0.000 0.217 183 A C 2.787 180.359 177.584 -0.019 0.000 1.191 183 A CA 3.244 55.266 52.037 -0.025 0.000 0.623 183 A CB -0.723 18.267 19.000 -0.017 0.000 0.826 183 A HN 0.864 nan 8.150 nan 0.000 0.444 184 S N -0.483 115.213 115.700 -0.007 0.000 2.406 184 S HA -0.140 4.330 4.470 0.000 0.000 0.228 184 S C 1.989 176.592 174.600 0.005 0.000 1.020 184 S CA 1.006 59.206 58.200 -0.000 0.000 0.965 184 S CB -0.437 62.765 63.200 0.004 0.000 0.798 184 S HN 0.626 nan 8.310 nan 0.000 0.488 185 R N 1.085 121.591 120.500 0.012 0.000 2.080 185 R HA -0.228 4.112 4.340 0.000 0.000 0.236 185 R C 2.674 178.980 176.300 0.011 0.000 1.137 185 R CA 2.050 58.168 56.100 0.031 0.000 0.943 185 R CB -1.289 29.052 30.300 0.068 0.000 0.846 185 R HN 0.761 nan 8.270 nan 0.000 0.431 186 H N -0.886 118.164 119.070 -0.033 0.000 2.457 186 H HA 0.086 4.642 4.556 0.000 0.000 0.297 186 H C 2.048 177.362 175.328 -0.023 0.000 1.092 186 H CA 1.643 57.658 56.048 -0.054 0.000 1.309 186 H CB -0.558 29.149 29.762 -0.091 0.000 1.382 186 H HN 0.623 nan 8.280 nan 0.000 0.535 187 A N 0.566 123.377 122.820 -0.014 0.000 1.873 187 A HA 0.044 4.364 4.320 0.000 0.000 0.215 187 A C 2.591 180.176 177.584 0.003 0.000 1.186 187 A CA 1.411 53.444 52.037 -0.006 0.000 0.616 187 A CB -0.455 18.543 19.000 -0.004 0.000 0.823 187 A HN 0.644 nan 8.150 nan 0.000 0.442 188 I N 0.361 120.937 120.570 0.010 0.000 2.142 188 I HA -0.336 3.834 4.170 0.000 0.000 0.240 188 I C 2.821 178.949 176.117 0.018 0.000 1.078 188 I CA 2.103 63.413 61.300 0.016 0.000 1.343 188 I CB -0.463 37.552 38.000 0.025 0.000 1.046 188 I HN 0.568 nan 8.210 nan 0.000 0.405 189 M N -0.010 119.603 119.600 0.022 0.000 2.358 189 M HA -0.127 4.353 4.480 0.000 0.000 0.264 189 M C 1.855 178.166 176.300 0.018 0.000 1.064 189 M CA 1.671 56.988 55.300 0.027 0.000 1.093 189 M CB -0.555 32.071 32.600 0.042 0.000 1.401 189 M HN 0.035 nan 8.290 nan 0.000 0.440 190 R N 0.552 121.057 120.500 0.009 0.000 2.310 190 R HA 0.193 4.533 4.340 0.000 0.000 0.202 190 R C 0.402 176.705 176.300 0.005 0.000 0.933 190 R CA 0.103 56.206 56.100 0.005 0.000 1.054 190 R CB 0.296 30.595 30.300 -0.003 0.000 0.985 190 R HN 0.317 nan 8.270 nan 0.000 0.489 191 S N 1.048 116.752 115.700 0.007 0.000 2.528 191 S HA 0.268 4.738 4.470 0.000 0.000 0.303 191 S C -1.996 172.607 174.600 0.005 0.000 1.123 191 S CA -2.069 56.134 58.200 0.005 0.000 1.138 191 S CB 1.048 64.251 63.200 0.005 0.000 0.984 191 S HN -0.118 nan 8.310 nan 0.000 0.474 192 P HA -0.166 nan 4.420 nan 0.000 0.215 192 P C 1.178 178.478 177.300 -0.001 0.000 1.157 192 P CA 1.295 64.395 63.100 0.000 0.000 0.874 192 P CB 0.169 31.867 31.700 -0.004 0.000 0.790 193 Q N -1.613 118.186 119.800 -0.001 0.000 2.084 193 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 193 Q C 2.163 178.164 176.000 0.002 0.000 0.978 193 Q CA 1.559 57.361 55.803 -0.001 0.000 0.844 193 Q CB -1.102 27.636 28.738 -0.001 0.000 0.898 193 Q HN 0.228 nan 8.270 nan 0.000 0.426 194 M N -0.025 119.578 119.600 0.004 0.000 2.059 194 M HA -0.136 4.344 4.480 0.000 0.000 0.259 194 M C 1.818 178.123 176.300 0.008 0.000 1.072 194 M CA 1.522 56.826 55.300 0.007 0.000 1.117 194 M CB -0.511 32.094 32.600 0.009 0.000 1.320 194 M HN 0.053 nan 8.290 nan 0.000 0.408 195 V N 0.119 120.038 119.914 0.009 0.000 2.252 195 V HA -0.316 3.804 4.120 0.000 0.000 0.249 195 V C 2.350 178.449 176.094 0.008 0.000 1.056 195 V CA 2.298 64.605 62.300 0.011 0.000 1.022 195 V CB -1.384 30.448 31.823 0.016 0.000 0.641 195 V HN 0.629 nan 8.190 nan 0.000 0.445 196 S N 0.210 115.912 115.700 0.004 0.000 2.402 196 S HA -0.216 4.254 4.470 0.000 0.000 0.233 196 S C 2.145 176.746 174.600 0.001 0.000 1.030 196 S CA 1.464 59.664 58.200 0.000 0.000 1.003 196 S CB -0.525 62.672 63.200 -0.005 0.000 0.813 196 S HN 0.689 nan 8.310 nan 0.000 0.477 197 A N 1.295 124.116 122.820 0.003 0.000 1.929 197 A HA 0.062 4.382 4.320 0.000 0.000 0.216 197 A C 2.055 179.642 177.584 0.003 0.000 1.176 197 A CA 0.905 52.944 52.037 0.003 0.000 0.628 197 A CB -0.576 18.427 19.000 0.004 0.000 0.816 197 A HN 0.482 nan 8.150 nan 0.000 0.444 198 I N -0.376 120.197 120.570 0.004 0.000 2.315 198 I HA -0.200 3.970 4.170 0.000 0.000 0.248 198 I C 2.310 178.427 176.117 0.001 0.000 1.117 198 I CA 0.956 62.257 61.300 0.001 0.000 1.404 198 I CB -0.298 37.703 38.000 0.001 0.000 1.071 198 I HN 0.148 nan 8.210 nan 0.000 0.419 199 V N 0.855 120.772 119.914 0.005 0.000 2.261 199 V HA -0.272 3.848 4.120 0.000 0.000 0.246 199 V C 2.573 178.671 176.094 0.007 0.000 1.047 199 V CA 1.858 64.163 62.300 0.009 0.000 1.015 199 V CB -0.777 31.053 31.823 0.012 0.000 0.642 199 V HN 0.354 nan 8.190 nan 0.000 0.446 200 R N -0.165 120.338 120.500 0.005 0.000 2.083 200 R HA -0.168 4.172 4.340 0.000 0.000 0.237 200 R C 2.429 178.731 176.300 0.004 0.000 1.137 200 R CA 2.079 58.181 56.100 0.004 0.000 0.951 200 R CB -0.906 29.395 30.300 0.002 0.000 0.851 200 R HN 0.515 nan 8.270 nan 0.000 0.434 201 T N 1.524 116.079 114.554 0.003 0.000 2.720 201 T HA -0.224 4.126 4.350 0.000 0.000 0.268 201 T C 1.713 176.414 174.700 0.001 0.000 1.037 201 T CA 1.626 63.727 62.100 0.002 0.000 1.144 201 T CB -0.155 68.714 68.868 0.001 0.000 0.864 201 T HN 0.277 nan 8.240 nan 0.000 0.444 202 M N 1.403 121.004 119.600 0.001 0.000 2.067 202 M HA -0.198 4.282 4.480 0.000 0.000 0.260 202 M C 2.546 178.850 176.300 0.007 0.000 1.069 202 M CA 1.789 57.090 55.300 0.002 0.000 1.117 202 M CB -0.265 32.337 32.600 0.003 0.000 1.334 202 M HN 0.328 nan 8.290 nan 0.000 0.407 203 Q N -1.231 118.574 119.800 0.009 0.000 2.378 203 Q HA -0.068 4.272 4.340 0.000 0.000 0.205 203 Q C 0.766 176.770 176.000 0.007 0.000 0.954 203 Q CA 1.001 56.810 55.803 0.010 0.000 0.901 203 Q CB -0.262 28.484 28.738 0.013 0.000 0.981 203 Q HN 0.556 nan 8.270 nan 0.000 0.483 204 N N 0.655 119.358 118.700 0.005 0.000 2.414 204 N HA 0.000 4.740 4.740 0.000 0.000 0.177 204 N C 0.446 175.958 175.510 0.002 0.000 1.062 204 N CA 0.566 53.618 53.050 0.003 0.000 0.890 204 N CB 0.340 38.829 38.487 0.003 0.000 1.070 204 N HN 0.168 nan 8.380 nan 0.000 0.454 205 T N 0.442 114.997 114.554 0.002 0.000 2.855 205 T HA 0.069 4.419 4.350 0.000 0.000 0.322 205 T C 0.760 175.460 174.700 -0.001 0.000 1.088 205 T CA 0.399 62.499 62.100 0.001 0.000 1.104 205 T CB 0.300 69.168 68.868 0.001 0.000 0.996 205 T HN 0.189 nan 8.240 nan 0.000 0.549 206 N N 1.305 120.005 118.700 -0.001 0.000 2.200 206 N HA 0.162 4.902 4.740 0.000 0.000 0.224 206 N C -1.087 174.421 175.510 -0.004 0.000 1.179 206 N CA -0.229 52.819 53.050 -0.003 0.000 0.877 206 N CB 0.557 39.042 38.487 -0.002 0.000 1.072 206 N HN 0.577 nan 8.380 nan 0.000 0.519 207 D N 0.124 120.523 120.400 -0.002 0.000 2.349 207 D HA 0.161 4.801 4.640 0.000 0.000 0.232 207 D C 1.164 177.463 176.300 -0.002 0.000 1.071 207 D CA -0.484 53.515 54.000 -0.001 0.000 0.832 207 D CB 1.551 42.353 40.800 0.003 0.000 1.086 207 D HN -0.258 nan 8.370 nan 0.000 0.504 208 V N 3.813 123.723 119.914 -0.006 0.000 2.332 208 V HA -0.227 3.893 4.120 0.000 0.000 0.248 208 V C 2.222 178.316 176.094 0.000 0.000 1.055 208 V CA 1.948 64.242 62.300 -0.010 0.000 1.038 208 V CB -0.569 31.242 31.823 -0.019 0.000 0.651 208 V HN 0.742 nan 8.190 nan 0.000 0.450 209 E N -0.068 120.137 120.200 0.008 0.000 2.070 209 E HA -0.255 4.095 4.350 0.000 0.000 0.197 209 E C 2.232 178.843 176.600 0.018 0.000 1.004 209 E CA 2.074 58.487 56.400 0.022 0.000 0.805 209 E CB -0.148 29.568 29.700 0.026 0.000 0.744 209 E HN 0.649 nan 8.360 nan 0.000 0.451 210 T N 0.536 115.096 114.554 0.010 0.000 2.708 210 T HA -0.121 4.229 4.350 0.000 0.000 0.266 210 T C 1.860 176.554 174.700 -0.010 0.000 1.037 210 T CA 1.280 63.381 62.100 0.002 0.000 1.146 210 T CB -0.344 68.526 68.868 0.004 0.000 0.865 210 T HN 0.347 nan 8.240 nan 0.000 0.435 211 A N 1.756 124.574 122.820 -0.004 0.000 1.883 211 A HA -0.172 4.148 4.320 0.000 0.000 0.217 211 A C 2.297 179.886 177.584 0.008 0.000 1.186 211 A CA 2.042 54.079 52.037 -0.000 0.000 0.624 211 A CB -0.641 18.360 19.000 0.000 0.000 0.822 211 A HN 0.438 nan 8.150 nan 0.000 0.444 212 R N -0.774 119.737 120.500 0.019 0.000 2.073 212 R HA -0.156 4.184 4.340 0.000 0.000 0.234 212 R C 2.241 178.507 176.300 -0.056 0.000 1.134 212 R CA 2.015 58.157 56.100 0.071 0.000 0.952 212 R CB -0.739 29.608 30.300 0.079 0.000 0.850 212 R HN 0.571 nan 8.270 nan 0.000 0.433 213 C N 0.187 119.401 119.300 -0.143 0.000 2.413 213 C HA -0.109 4.351 4.460 0.000 0.000 0.276 213 C C 2.928 177.693 174.990 -0.375 0.000 1.236 213 C CA 1.518 60.303 59.018 -0.389 0.000 1.735 213 C CB -1.085 26.603 27.740 -0.087 0.000 2.031 213 C HN 0.750 nan 8.230 nan 0.000 0.474 214 T N 0.367 114.822 114.554 -0.164 0.000 2.737 214 T HA -0.062 4.288 4.350 0.000 0.000 0.265 214 T C 1.999 176.617 174.700 -0.136 0.000 1.038 214 T CA 1.590 63.622 62.100 -0.113 0.000 1.144 214 T CB -0.601 68.240 68.868 -0.047 0.000 0.866 214 T HN 0.506 nan 8.240 nan 0.000 0.434 215 A N 2.034 124.789 122.820 -0.108 0.000 1.877 215 A HA 0.204 4.524 4.320 0.000 0.000 0.216 215 A C 2.766 180.152 177.584 -0.329 0.000 1.186 215 A CA 1.805 53.797 52.037 -0.075 0.000 0.620 215 A CB -1.684 17.377 19.000 0.101 0.000 0.822 215 A HN 0.625 nan 8.150 nan 0.000 0.443 216 G N -1.251 107.117 108.800 -0.720 0.000 2.442 216 G HA2 -0.157 3.803 3.960 0.000 0.000 0.219 216 G HA3 -0.157 3.803 3.960 0.000 0.000 0.219 216 G C 1.554 176.173 174.900 -0.469 0.000 1.141 216 G CA 1.674 46.005 45.100 -1.281 0.000 0.763 216 G HN 0.441 nan 8.290 nan 0.000 0.554 217 T N 1.380 115.757 114.554 -0.295 0.000 2.708 217 T HA -0.029 4.321 4.350 0.000 0.000 0.266 217 T C 2.421 177.083 174.700 -0.064 0.000 1.037 217 T CA 0.908 62.970 62.100 -0.065 0.000 1.146 217 T CB -0.235 68.614 68.868 -0.031 0.000 0.865 217 T HN 0.152 nan 8.240 nan 0.000 0.435 218 L N 0.358 121.535 121.223 -0.076 0.000 2.079 218 L HA -0.168 4.172 4.340 0.000 0.000 0.210 218 L C 2.641 179.486 176.870 -0.040 0.000 1.081 218 L CA 1.625 56.445 54.840 -0.034 0.000 0.752 218 L CB -0.778 41.275 42.059 -0.009 0.000 0.896 218 L HN 0.509 nan 8.230 nan 0.000 0.433 219 H N 0.518 119.484 119.070 -0.173 0.000 2.353 219 H HA -0.163 4.393 4.556 0.000 0.000 0.300 219 H C 1.894 177.082 175.328 -0.233 0.000 1.090 219 H CA 1.602 57.540 56.048 -0.184 0.000 1.327 219 H CB 0.272 29.927 29.762 -0.177 0.000 1.383 219 H HN 0.378 nan 8.280 nan 0.000 0.508 220 N N 0.926 119.451 118.700 -0.292 0.000 2.188 220 N HA -0.108 4.632 4.740 0.000 0.000 0.184 220 N C 2.286 177.730 175.510 -0.111 0.000 1.018 220 N CA 0.836 53.783 53.050 -0.173 0.000 0.858 220 N CB -0.199 38.294 38.487 0.010 0.000 0.989 220 N HN 0.427 nan 8.380 nan 0.000 0.426 221 L N 1.018 122.197 121.223 -0.073 0.000 2.201 221 L HA -0.070 4.270 4.340 0.000 0.000 0.212 221 L C 2.271 179.102 176.870 -0.064 0.000 1.105 221 L CA 0.928 55.771 54.840 0.005 0.000 0.775 221 L CB -0.635 41.438 42.059 0.023 0.000 0.913 221 L HN 0.190 nan 8.230 nan 0.000 0.440 222 S N -1.565 114.020 115.700 -0.192 0.000 2.507 222 S HA -0.186 4.284 4.470 0.000 0.000 0.235 222 S C 1.401 175.843 174.600 -0.264 0.000 0.988 222 S CA 0.717 58.801 58.200 -0.193 0.000 0.944 222 S CB -0.696 62.402 63.200 -0.170 0.000 0.762 222 S HN 0.556 nan 8.310 nan 0.000 0.526 223 H N 0.359 119.264 119.070 -0.274 0.000 2.547 223 H HA 0.253 4.809 4.556 0.000 0.000 0.266 223 H C 0.033 175.009 175.328 -0.586 0.000 0.988 223 H CA 0.491 56.280 56.048 -0.432 0.000 1.147 223 H CB 0.162 29.580 29.762 -0.574 0.000 1.365 223 H HN 0.482 nan 8.280 nan 0.000 0.589 224 H N -0.756 118.336 119.070 0.037 0.000 2.717 224 H HA 0.179 4.736 4.556 0.000 0.000 0.366 224 H C 0.787 176.109 175.328 -0.010 0.000 1.132 224 H CA -0.642 55.409 56.048 0.005 0.000 1.180 224 H CB 1.705 31.474 29.762 0.011 0.000 1.678 224 H HN 0.106 nan 8.280 nan 0.000 0.537 225 R N 1.234 121.795 120.500 0.103 0.000 2.117 225 R HA -0.191 4.150 4.340 0.000 0.000 0.243 225 R C 0.526 176.866 176.300 0.066 0.000 1.143 225 R CA 2.217 58.347 56.100 0.051 0.000 0.968 225 R CB 0.287 30.602 30.300 0.026 0.000 0.863 225 R HN 0.541 nan 8.270 nan 0.000 0.444 226 E N -0.925 119.321 120.200 0.076 0.000 2.216 226 E HA 0.002 4.352 4.350 0.000 0.000 0.192 226 E C 1.801 178.445 176.600 0.074 0.000 0.988 226 E CA 1.080 57.517 56.400 0.061 0.000 0.834 226 E CB -0.302 29.418 29.700 0.034 0.000 0.772 226 E HN 0.543 nan 8.360 nan 0.000 0.479 227 G N 0.967 109.827 108.800 0.100 0.000 2.394 227 G HA2 -0.171 3.789 3.960 0.000 0.000 0.215 227 G HA3 -0.171 3.789 3.960 0.000 0.000 0.215 227 G C 1.532 176.475 174.900 0.071 0.000 1.165 227 G CA 0.457 45.609 45.100 0.087 0.000 0.784 227 G HN 0.159 nan 8.290 nan 0.000 0.535 228 L N -0.256 121.007 121.223 0.067 0.000 2.046 228 L HA -0.044 4.296 4.340 0.000 0.000 0.208 228 L C 2.677 179.619 176.870 0.121 0.000 1.077 228 L CA 0.507 55.389 54.840 0.070 0.000 0.747 228 L CB -0.486 41.604 42.059 0.052 0.000 0.896 228 L HN 0.188 nan 8.230 nan 0.000 0.432 229 L N 0.139 121.434 121.223 0.120 0.000 2.042 229 L HA -0.177 4.163 4.340 0.000 0.000 0.210 229 L C 2.646 179.604 176.870 0.147 0.000 1.076 229 L CA 2.046 56.984 54.840 0.164 0.000 0.749 229 L CB -0.789 41.339 42.059 0.115 0.000 0.893 229 L HN 0.178 nan 8.230 nan 0.000 0.432 230 A N -0.370 122.507 122.820 0.095 0.000 1.877 230 A HA -0.199 4.121 4.320 0.000 0.000 0.216 230 A C 2.270 179.896 177.584 0.070 0.000 1.186 230 A CA 2.155 54.230 52.037 0.064 0.000 0.620 230 A CB -0.871 18.158 19.000 0.048 0.000 0.822 230 A HN 0.498 nan 8.150 nan 0.000 0.443 231 I N -1.849 118.777 120.570 0.093 0.000 2.179 231 I HA -0.219 3.951 4.170 0.000 0.000 0.242 231 I C 2.359 178.567 176.117 0.152 0.000 1.088 231 I CA 1.461 62.820 61.300 0.097 0.000 1.357 231 I CB -0.393 37.662 38.000 0.091 0.000 1.051 231 I HN 0.409 nan 8.210 nan 0.000 0.409 232 F N 2.306 122.264 119.950 0.013 0.000 2.126 232 F HA -0.220 4.307 4.527 0.000 0.000 0.299 232 F C 2.383 178.189 175.800 0.011 0.000 1.096 232 F CA 1.661 59.669 58.000 0.013 0.000 1.255 232 F CB -0.372 38.636 39.000 0.014 0.000 0.997 232 F HN -0.119 nan 8.300 nan 0.000 0.479 233 K N 0.246 120.580 120.400 -0.110 0.000 2.097 233 K HA -0.053 4.267 4.320 0.000 0.000 0.205 233 K C 1.892 178.408 176.600 -0.140 0.000 1.050 233 K CA 1.309 57.466 56.287 -0.216 0.000 0.938 233 K CB -1.133 31.309 32.500 -0.096 0.000 0.718 233 K HN 0.412 nan 8.250 nan 0.000 0.442 234 S N -0.069 115.598 115.700 -0.056 0.000 2.763 234 S HA 0.212 4.682 4.470 0.000 0.000 0.237 234 S C 0.952 175.537 174.600 -0.026 0.000 0.966 234 S CA 0.197 58.376 58.200 -0.035 0.000 1.017 234 S CB -0.425 62.770 63.200 -0.008 0.000 0.780 234 S HN 0.368 nan 8.310 nan 0.000 0.476 235 G N 0.499 109.271 108.800 -0.047 0.000 2.323 235 G HA2 -0.207 3.753 3.960 0.000 0.000 0.292 235 G HA3 -0.207 3.753 3.960 0.000 0.000 0.292 235 G C 0.797 175.716 174.900 0.031 0.000 1.040 235 G CA 0.062 45.153 45.100 -0.014 0.000 0.942 235 G HN 0.889 nan 8.290 nan 0.000 0.506 236 G N -0.345 108.492 108.800 0.061 0.000 2.421 236 G HA2 0.064 4.024 3.960 0.000 0.000 0.217 236 G HA3 0.064 4.024 3.960 0.000 0.000 0.217 236 G C 1.791 176.740 174.900 0.082 0.000 1.143 236 G CA 1.005 46.145 45.100 0.067 0.000 0.784 236 G HN 0.603 nan 8.290 nan 0.000 0.541 237 I N 1.509 122.150 120.570 0.118 0.000 2.091 237 I HA -0.161 4.009 4.170 0.000 0.000 0.239 237 I C -0.107 176.057 176.117 0.078 0.000 1.061 237 I CA 1.420 62.786 61.300 0.111 0.000 1.317 237 I CB -1.004 37.091 38.000 0.159 0.000 1.031 237 I HN 0.131 nan 8.210 nan 0.000 0.401 238 P HA -0.170 nan 4.420 nan 0.000 0.216 238 P C 1.387 178.713 177.300 0.043 0.000 1.150 238 P CA 1.838 64.968 63.100 0.050 0.000 0.837 238 P CB -0.014 31.710 31.700 0.039 0.000 0.786 239 A N -0.899 121.947 122.820 0.043 0.000 1.897 239 A HA -0.123 4.197 4.320 0.000 0.000 0.215 239 A C 2.166 179.777 177.584 0.044 0.000 1.181 239 A CA 1.223 53.282 52.037 0.037 0.000 0.620 239 A CB -1.546 17.473 19.000 0.032 0.000 0.821 239 A HN 0.099 nan 8.150 nan 0.000 0.443 240 L N -0.468 120.788 121.223 0.054 0.000 2.046 240 L HA -0.158 4.182 4.340 0.000 0.000 0.208 240 L C 2.519 179.428 176.870 0.064 0.000 1.077 240 L CA 0.991 55.870 54.840 0.063 0.000 0.747 240 L CB -0.563 41.539 42.059 0.071 0.000 0.896 240 L HN 0.238 nan 8.230 nan 0.000 0.432 241 V N -0.038 119.910 119.914 0.057 0.000 2.332 241 V HA -0.315 3.805 4.120 0.000 0.000 0.248 241 V C 2.477 178.600 176.094 0.049 0.000 1.055 241 V CA 1.795 64.127 62.300 0.053 0.000 1.038 241 V CB -0.537 31.313 31.823 0.046 0.000 0.651 241 V HN 0.420 nan 8.190 nan 0.000 0.450 242 K N -0.728 119.696 120.400 0.041 0.000 2.147 242 K HA -0.135 4.185 4.320 0.000 0.000 0.205 242 K C 1.967 178.588 176.600 0.035 0.000 1.049 242 K CA 1.219 57.526 56.287 0.034 0.000 0.936 242 K CB -0.206 32.311 32.500 0.027 0.000 0.722 242 K HN 0.309 nan 8.250 nan 0.000 0.446 243 M N 0.571 120.197 119.600 0.042 0.000 2.630 243 M HA -0.035 4.445 4.480 0.000 0.000 0.254 243 M C 1.595 177.925 176.300 0.051 0.000 1.092 243 M CA 1.038 56.364 55.300 0.042 0.000 1.087 243 M CB -0.571 32.060 32.600 0.052 0.000 1.453 243 M HN 0.129 nan 8.290 nan 0.000 0.509 244 L N -0.797 120.466 121.223 0.065 0.000 2.551 244 L HA -0.042 4.298 4.340 0.000 0.000 0.228 244 L C 2.076 178.982 176.870 0.061 0.000 1.153 244 L CA 0.489 55.382 54.840 0.089 0.000 0.851 244 L CB -0.809 41.310 42.059 0.100 0.000 0.959 244 L HN 0.358 nan 8.230 nan 0.000 0.451 245 G N -1.277 107.544 108.800 0.035 0.000 2.939 245 G HA2 -0.091 3.869 3.960 0.000 0.000 0.210 245 G HA3 -0.091 3.869 3.960 0.000 0.000 0.210 245 G C 0.755 175.651 174.900 -0.007 0.000 1.160 245 G CA -0.033 45.076 45.100 0.016 0.000 0.770 245 G HN 0.245 nan 8.290 nan 0.000 0.543 246 S N 0.989 116.680 115.700 -0.014 0.000 2.558 246 S HA 0.177 4.647 4.470 0.000 0.000 0.293 246 S C -0.971 173.583 174.600 -0.077 0.000 1.292 246 S CA -0.622 57.553 58.200 -0.042 0.000 1.063 246 S CB 1.375 64.546 63.200 -0.048 0.000 0.831 246 S HN 0.042 nan 8.310 nan 0.000 0.499 247 P HA 0.164 nan 4.420 nan 0.000 0.240 247 P C -0.690 176.528 177.300 -0.137 0.000 1.190 247 P CA 0.125 63.168 63.100 -0.094 0.000 0.781 247 P CB 0.180 31.841 31.700 -0.066 0.000 0.931 248 V N 1.402 121.225 119.914 -0.151 0.000 2.364 248 V HA 0.091 4.211 4.120 0.000 0.000 0.272 248 V C 1.111 177.005 176.094 -0.334 0.000 1.036 248 V CA -0.157 62.022 62.300 -0.202 0.000 0.880 248 V CB 1.170 32.906 31.823 -0.145 0.000 0.991 248 V HN -0.082 nan 8.190 nan 0.000 0.460 249 D N 2.799 122.906 120.400 -0.488 0.000 2.116 249 D HA -0.174 4.466 4.640 0.000 0.000 0.193 249 D C 2.294 177.934 176.300 -1.100 0.000 0.998 249 D CA 2.024 55.443 54.000 -0.968 0.000 0.836 249 D CB -0.057 40.087 40.800 -1.092 0.000 0.951 249 D HN 0.733 nan 8.370 nan 0.000 0.449 250 S N 0.099 115.398 115.700 -0.668 0.000 2.374 250 S HA -0.167 4.303 4.470 0.000 0.000 0.227 250 S C 2.259 176.605 174.600 -0.423 0.000 1.037 250 S CA 1.415 59.295 58.200 -0.533 0.000 1.024 250 S CB -0.801 62.204 63.200 -0.325 0.000 0.861 250 S HN 0.126 nan 8.310 nan 0.000 0.456 251 V N 1.895 121.670 119.914 -0.232 0.000 2.270 251 V HA -0.074 4.046 4.120 0.000 0.000 0.245 251 V C 2.510 178.597 176.094 -0.011 0.000 1.043 251 V CA 1.658 63.935 62.300 -0.038 0.000 1.014 251 V CB -0.990 30.811 31.823 -0.037 0.000 0.645 251 V HN 0.480 nan 8.190 nan 0.000 0.447 252 L N 0.023 121.175 121.223 -0.119 0.000 2.012 252 L HA -0.170 4.170 4.340 0.000 0.000 0.210 252 L C 2.268 179.285 176.870 0.245 0.000 1.073 252 L CA 2.078 56.919 54.840 0.003 0.000 0.748 252 L CB -0.823 41.134 42.059 -0.169 0.000 0.891 252 L HN 0.293 nan 8.230 nan 0.000 0.431 253 F N -1.918 117.999 119.950 -0.054 0.000 2.134 253 F HA -0.313 4.214 4.527 0.000 0.000 0.299 253 F C 2.348 178.140 175.800 -0.015 0.000 1.097 253 F CA 1.119 59.106 58.000 -0.021 0.000 1.264 253 F CB -0.545 38.353 39.000 -0.169 0.000 1.001 253 F HN 0.135 nan 8.300 nan 0.000 0.479 254 Y N 0.151 120.523 120.300 0.120 0.000 2.181 254 Y HA -0.278 4.272 4.550 0.000 0.000 0.288 254 Y C 2.645 178.557 175.900 0.022 0.000 1.146 254 Y CA 0.440 58.525 58.100 -0.026 0.000 1.164 254 Y CB -0.408 38.053 38.460 0.002 0.000 0.982 254 Y HN 0.035 nan 8.280 nan 0.000 0.515 255 A N -0.009 122.958 122.820 0.244 0.000 1.877 255 A HA -0.216 4.104 4.320 0.000 0.000 0.216 255 A C 2.072 179.749 177.584 0.155 0.000 1.186 255 A CA 1.729 53.869 52.037 0.172 0.000 0.620 255 A CB -0.896 18.190 19.000 0.145 0.000 0.822 255 A HN 0.453 nan 8.150 nan 0.000 0.443 256 I N -0.226 120.457 120.570 0.188 0.000 2.394 256 I HA -0.137 4.033 4.170 0.000 0.000 0.251 256 I C 2.277 178.448 176.117 0.090 0.000 1.136 256 I CA 2.059 63.434 61.300 0.125 0.000 1.425 256 I CB -0.344 37.732 38.000 0.127 0.000 1.079 256 I HN 0.292 nan 8.210 nan 0.000 0.425 257 T N -0.467 114.149 114.554 0.105 0.000 2.857 257 T HA -0.112 4.238 4.350 0.000 0.000 0.266 257 T C 1.781 176.585 174.700 0.174 0.000 1.048 257 T CA 1.881 64.048 62.100 0.112 0.000 1.139 257 T CB -0.396 68.477 68.868 0.009 0.000 0.874 257 T HN 0.359 nan 8.240 nan 0.000 0.455 258 T N 2.560 117.211 114.554 0.161 0.000 2.737 258 T HA 0.068 4.418 4.350 0.000 0.000 0.265 258 T C 1.994 176.752 174.700 0.096 0.000 1.038 258 T CA 0.830 63.015 62.100 0.141 0.000 1.144 258 T CB -0.452 68.490 68.868 0.124 0.000 0.866 258 T HN 0.228 nan 8.240 nan 0.000 0.434 259 L N 0.149 121.429 121.223 0.096 0.000 2.083 259 L HA -0.146 4.194 4.340 0.000 0.000 0.209 259 L C 2.626 179.540 176.870 0.073 0.000 1.083 259 L CA 1.454 56.335 54.840 0.068 0.000 0.752 259 L CB -0.651 41.447 42.059 0.064 0.000 0.899 259 L HN 0.473 nan 8.230 nan 0.000 0.433 260 H N 0.242 119.302 119.070 -0.016 0.000 2.353 260 H HA -0.161 4.395 4.556 0.000 0.000 0.300 260 H C 1.937 177.234 175.328 -0.052 0.000 1.090 260 H CA 1.565 57.587 56.048 -0.044 0.000 1.327 260 H CB 0.360 30.101 29.762 -0.036 0.000 1.383 260 H HN 0.366 nan 8.280 nan 0.000 0.508 261 N N 0.760 119.439 118.700 -0.035 0.000 2.142 261 N HA -0.116 4.624 4.740 0.000 0.000 0.186 261 N C 2.345 177.808 175.510 -0.079 0.000 1.023 261 N CA 0.697 53.709 53.050 -0.063 0.000 0.852 261 N CB -0.382 38.131 38.487 0.043 0.000 0.998 261 N HN 0.361 nan 8.380 nan 0.000 0.424 262 L N 0.782 121.974 121.223 -0.051 0.000 2.012 262 L HA -0.132 4.208 4.340 0.000 0.000 0.210 262 L C 2.264 179.044 176.870 -0.150 0.000 1.073 262 L CA 0.936 55.729 54.840 -0.078 0.000 0.748 262 L CB -0.523 41.504 42.059 -0.053 0.000 0.891 262 L HN 0.122 nan 8.230 nan 0.000 0.431 263 L N -0.702 120.432 121.223 -0.148 0.000 2.079 263 L HA -0.250 4.090 4.340 0.000 0.000 0.210 263 L C 2.469 179.189 176.870 -0.251 0.000 1.081 263 L CA 1.187 55.929 54.840 -0.163 0.000 0.752 263 L CB -0.397 41.605 42.059 -0.095 0.000 0.896 263 L HN 0.300 nan 8.230 nan 0.000 0.433 264 L N -1.483 119.493 121.223 -0.412 0.000 2.095 264 L HA -0.165 4.175 4.340 0.000 0.000 0.204 264 L C 1.978 178.438 176.870 -0.683 0.000 1.080 264 L CA 1.327 55.776 54.840 -0.651 0.000 0.759 264 L CB -0.268 41.175 42.059 -1.027 0.000 0.914 264 L HN 0.370 nan 8.230 nan 0.000 0.439 265 H N -3.719 115.278 119.070 -0.122 0.000 3.205 265 H HA 0.110 4.666 4.556 0.000 0.000 0.252 265 H C 0.461 175.732 175.328 -0.095 0.000 1.015 265 H CA -0.386 55.608 56.048 -0.090 0.000 1.192 265 H CB 0.503 30.225 29.762 -0.067 0.000 1.474 265 H HN -0.002 nan 8.280 nan 0.000 0.484 266 Q N 2.708 122.481 119.800 -0.045 0.000 2.369 266 Q HA 0.056 4.396 4.340 0.000 0.000 0.247 266 Q C -0.497 175.368 176.000 -0.225 0.000 1.083 266 Q CA -0.187 55.538 55.803 -0.129 0.000 0.905 266 Q CB 0.241 28.861 28.738 -0.196 0.000 1.305 266 Q HN 0.327 nan 8.270 nan 0.000 0.465 267 E N 2.737 122.850 120.200 -0.145 0.000 2.558 267 E HA 0.161 4.511 4.350 0.000 0.000 0.255 267 E C 0.458 176.904 176.600 -0.257 0.000 0.968 267 E CA 1.169 57.489 56.400 -0.133 0.000 0.939 267 E CB -0.064 29.610 29.700 -0.043 0.000 0.921 267 E HN 0.933 nan 8.360 nan 0.000 0.477 268 G N 2.751 111.409 108.800 -0.237 0.000 2.195 268 G HA2 -0.339 3.621 3.960 0.000 0.000 0.224 268 G HA3 -0.339 3.621 3.960 0.000 0.000 0.224 268 G C 0.885 175.534 174.900 -0.417 0.000 0.990 268 G CA 0.390 45.335 45.100 -0.257 0.000 0.639 268 G HN 0.752 nan 8.290 nan 0.000 0.514 269 A N 0.576 123.107 122.820 -0.481 0.000 1.873 269 A HA 0.142 4.462 4.320 0.000 0.000 0.215 269 A C 2.195 179.696 177.584 -0.138 0.000 1.186 269 A CA 2.231 54.057 52.037 -0.351 0.000 0.616 269 A CB -0.443 18.384 19.000 -0.289 0.000 0.823 269 A HN 0.503 nan 8.150 nan 0.000 0.442 270 K N -0.582 119.752 120.400 -0.109 0.000 2.020 270 K HA -0.208 4.112 4.320 0.000 0.000 0.212 270 K C 2.113 178.701 176.600 -0.020 0.000 1.050 270 K CA 1.988 58.244 56.287 -0.052 0.000 0.929 270 K CB -0.451 32.023 32.500 -0.044 0.000 0.714 270 K HN 0.537 nan 8.250 nan 0.000 0.443 271 M N 0.445 120.039 119.600 -0.010 0.000 2.108 271 M HA -0.169 4.311 4.480 0.000 0.000 0.261 271 M C 2.526 178.852 176.300 0.044 0.000 1.066 271 M CA 1.686 56.999 55.300 0.021 0.000 1.107 271 M CB -0.538 32.084 32.600 0.037 0.000 1.356 271 M HN 0.235 nan 8.290 nan 0.000 0.406 272 A N 0.045 122.906 122.820 0.069 0.000 1.902 272 A HA -0.087 4.233 4.320 0.000 0.000 0.217 272 A C 2.272 179.897 177.584 0.068 0.000 1.181 272 A CA 1.611 53.713 52.037 0.109 0.000 0.623 272 A CB -0.959 18.172 19.000 0.217 0.000 0.818 272 A HN 0.302 nan 8.150 nan 0.000 0.443 273 V N 0.004 119.943 119.914 0.040 0.000 2.427 273 V HA -0.258 3.862 4.120 0.000 0.000 0.248 273 V C 2.617 178.726 176.094 0.025 0.000 1.051 273 V CA 2.165 64.483 62.300 0.030 0.000 1.048 273 V CB -0.849 30.981 31.823 0.013 0.000 0.666 273 V HN 0.523 nan 8.190 nan 0.000 0.456 274 R N -0.225 120.287 120.500 0.019 0.000 2.083 274 R HA -0.118 4.222 4.340 0.000 0.000 0.237 274 R C 2.318 178.630 176.300 0.020 0.000 1.137 274 R CA 1.541 57.650 56.100 0.015 0.000 0.951 274 R CB -0.490 29.816 30.300 0.010 0.000 0.851 274 R HN 0.397 nan 8.270 nan 0.000 0.434 275 L N 0.152 121.391 121.223 0.027 0.000 2.017 275 L HA -0.136 4.204 4.340 0.000 0.000 0.208 275 L C 2.547 179.433 176.870 0.028 0.000 1.073 275 L CA 1.204 56.060 54.840 0.028 0.000 0.745 275 L CB -0.593 41.487 42.059 0.035 0.000 0.894 275 L HN 0.273 nan 8.230 nan 0.000 0.432 276 A N -0.267 122.573 122.820 0.034 0.000 2.225 276 A HA 0.067 4.387 4.320 0.000 0.000 0.215 276 A C 1.722 179.322 177.584 0.028 0.000 1.164 276 A CA 1.040 53.097 52.037 0.033 0.000 0.710 276 A CB -0.759 18.267 19.000 0.042 0.000 0.780 276 A HN 0.626 nan 8.150 nan 0.000 0.473 277 G N -2.555 106.260 108.800 0.024 0.000 2.137 277 G HA2 -0.120 3.840 3.960 0.000 0.000 0.237 277 G HA3 -0.120 3.840 3.960 0.000 0.000 0.237 277 G C 1.151 176.065 174.900 0.022 0.000 1.002 277 G CA 0.643 45.755 45.100 0.021 0.000 0.702 277 G HN 1.246 nan 8.290 nan 0.000 0.515 278 G N 0.183 108.997 108.800 0.023 0.000 2.422 278 G HA2 -0.025 3.935 3.960 0.000 0.000 0.218 278 G HA3 -0.025 3.935 3.960 0.000 0.000 0.218 278 G C 1.855 176.765 174.900 0.016 0.000 1.146 278 G CA 1.281 46.395 45.100 0.024 0.000 0.769 278 G HN 0.634 nan 8.290 nan 0.000 0.547 279 L N 0.708 121.937 121.223 0.010 0.000 1.990 279 L HA -0.252 4.088 4.340 0.000 0.000 0.213 279 L C 3.270 180.144 176.870 0.008 0.000 1.072 279 L CA 2.169 57.012 54.840 0.004 0.000 0.755 279 L CB -0.610 41.449 42.059 0.001 0.000 0.889 279 L HN 0.494 nan 8.230 nan 0.000 0.432 280 Q N 0.222 120.030 119.800 0.012 0.000 2.124 280 Q HA -0.235 4.105 4.340 0.000 0.000 0.202 280 Q C 2.001 178.014 176.000 0.023 0.000 0.977 280 Q CA 1.472 57.285 55.803 0.015 0.000 0.850 280 Q CB -0.221 28.526 28.738 0.015 0.000 0.901 280 Q HN 0.450 nan 8.270 nan 0.000 0.429 281 K N 0.352 120.768 120.400 0.027 0.000 2.025 281 K HA -0.052 4.268 4.320 0.000 0.000 0.207 281 K C 2.211 178.840 176.600 0.049 0.000 1.049 281 K CA 1.803 58.114 56.287 0.040 0.000 0.933 281 K CB -0.140 32.386 32.500 0.044 0.000 0.714 281 K HN 0.295 nan 8.250 nan 0.000 0.438 282 M N 0.594 120.213 119.600 0.032 0.000 2.117 282 M HA -0.167 4.313 4.480 0.000 0.000 0.262 282 M C 2.258 178.568 176.300 0.016 0.000 1.065 282 M CA 1.290 56.599 55.300 0.016 0.000 1.114 282 M CB -0.317 32.270 32.600 -0.022 0.000 1.361 282 M HN -0.067 nan 8.290 nan 0.000 0.408 283 V N 0.515 120.437 119.914 0.013 0.000 2.332 283 V HA -0.270 3.850 4.120 0.000 0.000 0.248 283 V C 2.601 178.717 176.094 0.037 0.000 1.055 283 V CA 2.064 64.373 62.300 0.016 0.000 1.038 283 V CB -1.146 30.685 31.823 0.012 0.000 0.651 283 V HN 0.545 nan 8.190 nan 0.000 0.450 284 A N -0.643 122.204 122.820 0.045 0.000 2.070 284 A HA -0.078 4.242 4.320 0.000 0.000 0.220 284 A C 2.070 179.704 177.584 0.084 0.000 1.159 284 A CA 1.320 53.390 52.037 0.055 0.000 0.656 284 A CB -0.469 18.560 19.000 0.047 0.000 0.800 284 A HN 0.546 nan 8.150 nan 0.000 0.453 285 L N -0.426 120.867 121.223 0.116 0.000 2.599 285 L HA 0.060 4.400 4.340 0.000 0.000 0.230 285 L C 1.573 178.580 176.870 0.228 0.000 1.141 285 L CA 0.021 54.989 54.840 0.213 0.000 0.877 285 L CB -0.200 42.063 42.059 0.341 0.000 1.009 285 L HN 0.356 nan 8.230 nan 0.000 0.447 286 L N 0.260 121.557 121.223 0.124 0.000 2.622 286 L HA -0.117 4.223 4.340 0.000 0.000 0.233 286 L C 1.704 178.648 176.870 0.124 0.000 1.156 286 L CA 0.916 55.816 54.840 0.100 0.000 0.866 286 L CB -0.592 41.498 42.059 0.052 0.000 0.980 286 L HN 0.592 nan 8.230 nan 0.000 0.448 287 N N -1.665 117.110 118.700 0.124 0.000 2.336 287 N HA -0.004 4.736 4.740 0.000 0.000 0.189 287 N C 0.611 176.197 175.510 0.126 0.000 1.113 287 N CA -0.378 52.741 53.050 0.115 0.000 0.858 287 N CB 0.371 38.906 38.487 0.081 0.000 0.970 287 N HN 0.044 nan 8.380 nan 0.000 0.471 288 K N 0.985 121.477 120.400 0.153 0.000 2.156 288 K HA 0.039 4.359 4.320 0.000 0.000 0.242 288 K C 1.176 177.866 176.600 0.150 0.000 1.033 288 K CA 0.489 56.848 56.287 0.120 0.000 0.878 288 K CB 0.935 33.506 32.500 0.118 0.000 1.057 288 K HN 0.261 nan 8.250 nan 0.000 0.505 289 T N -3.530 111.093 114.554 0.116 0.000 3.004 289 T HA 0.009 4.359 4.350 0.000 0.000 0.266 289 T C 0.524 175.259 174.700 0.059 0.000 0.986 289 T CA -0.367 61.827 62.100 0.156 0.000 0.902 289 T CB 0.030 69.007 68.868 0.181 0.000 1.118 289 T HN 0.390 nan 8.240 nan 0.000 0.522 290 N N 3.018 121.742 118.700 0.039 0.000 2.416 290 N HA 0.035 4.775 4.740 0.000 0.000 0.265 290 N C 1.638 177.084 175.510 -0.107 0.000 1.195 290 N CA 0.305 53.341 53.050 -0.023 0.000 0.943 290 N CB 1.677 40.167 38.487 0.004 0.000 1.115 290 N HN 0.283 nan 8.380 nan 0.000 0.481 291 V N 2.774 122.537 119.914 -0.250 0.000 2.594 291 V HA -0.137 3.983 4.120 0.000 0.000 0.253 291 V C 1.896 177.822 176.094 -0.280 0.000 1.069 291 V CA 1.323 63.408 62.300 -0.358 0.000 1.082 291 V CB -0.461 31.096 31.823 -0.444 0.000 0.680 291 V HN 0.515 nan 8.190 nan 0.000 0.469 292 K N -0.331 119.875 120.400 -0.322 0.000 2.155 292 K HA 0.028 4.348 4.320 0.000 0.000 0.203 292 K C 1.934 178.420 176.600 -0.190 0.000 1.052 292 K CA 1.578 57.736 56.287 -0.216 0.000 0.948 292 K CB -0.306 32.049 32.500 -0.242 0.000 0.728 292 K HN 0.579 nan 8.250 nan 0.000 0.448 293 F N 1.710 121.429 119.950 -0.385 0.000 2.146 293 F HA -0.094 4.433 4.527 0.000 0.000 0.298 293 F C 1.627 177.296 175.800 -0.219 0.000 1.096 293 F CA 1.157 58.933 58.000 -0.373 0.000 1.275 293 F CB -0.092 38.670 39.000 -0.396 0.000 1.008 293 F HN -0.138 nan 8.300 nan 0.000 0.480 294 L N -0.018 121.084 121.223 -0.203 0.000 2.093 294 L HA -0.146 4.194 4.340 0.000 0.000 0.208 294 L C 2.814 179.520 176.870 -0.272 0.000 1.085 294 L CA 0.989 55.669 54.840 -0.266 0.000 0.755 294 L CB -1.218 40.725 42.059 -0.194 0.000 0.904 294 L HN 0.266 nan 8.230 nan 0.000 0.435 295 A N 0.579 123.292 122.820 -0.180 0.000 1.877 295 A HA -0.192 4.128 4.320 0.000 0.000 0.216 295 A C 2.193 179.628 177.584 -0.248 0.000 1.186 295 A CA 1.646 53.613 52.037 -0.117 0.000 0.620 295 A CB -0.625 18.411 19.000 0.061 0.000 0.822 295 A HN 0.348 nan 8.150 nan 0.000 0.443 296 I N -0.579 119.780 120.570 -0.352 0.000 2.252 296 I HA -0.189 3.981 4.170 0.000 0.000 0.245 296 I C 2.563 178.364 176.117 -0.527 0.000 1.102 296 I CA 1.614 62.596 61.300 -0.530 0.000 1.385 296 I CB -0.573 37.129 38.000 -0.497 0.000 1.064 296 I HN 0.255 nan 8.210 nan 0.000 0.414 297 T N 0.102 114.320 114.554 -0.561 0.000 2.674 297 T HA -0.183 4.167 4.350 0.000 0.000 0.265 297 T C 1.995 176.518 174.700 -0.294 0.000 1.039 297 T CA 2.200 64.015 62.100 -0.476 0.000 1.150 297 T CB -0.639 67.844 68.868 -0.642 0.000 0.864 297 T HN 0.536 nan 8.240 nan 0.000 0.427 298 T N 0.423 114.817 114.554 -0.267 0.000 2.833 298 T HA -0.142 4.208 4.350 0.000 0.000 0.269 298 T C 1.691 176.278 174.700 -0.188 0.000 1.054 298 T CA 1.586 63.572 62.100 -0.190 0.000 1.135 298 T CB -0.489 68.278 68.868 -0.168 0.000 0.869 298 T HN 0.273 nan 8.240 nan 0.000 0.466 299 D N 0.163 120.427 120.400 -0.226 0.000 2.183 299 D HA -0.014 4.626 4.640 0.000 0.000 0.203 299 D C 2.031 178.284 176.300 -0.079 0.000 0.969 299 D CA 0.535 54.431 54.000 -0.173 0.000 0.842 299 D CB -0.563 40.137 40.800 -0.166 0.000 0.957 299 D HN 0.476 nan 8.370 nan 0.000 0.484 300 C N -0.140 119.103 119.300 -0.095 0.000 2.429 300 C HA -0.037 4.423 4.460 0.000 0.000 0.277 300 C C 2.765 177.733 174.990 -0.038 0.000 1.262 300 C CA 0.280 59.293 59.018 -0.008 0.000 1.733 300 C CB -1.112 26.604 27.740 -0.040 0.000 2.010 300 C HN 0.426 nan 8.230 nan 0.000 0.483 301 L N 0.445 121.626 121.223 -0.070 0.000 2.131 301 L HA -0.188 4.152 4.340 0.000 0.000 0.210 301 L C 2.909 179.751 176.870 -0.046 0.000 1.092 301 L CA 1.284 56.091 54.840 -0.055 0.000 0.759 301 L CB -0.793 41.226 42.059 -0.066 0.000 0.903 301 L HN 0.432 nan 8.230 nan 0.000 0.435 302 Q N 0.898 120.657 119.800 -0.068 0.000 2.050 302 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 302 Q C 2.250 178.239 176.000 -0.018 0.000 0.980 302 Q CA 1.821 57.586 55.803 -0.062 0.000 0.840 302 Q CB -0.149 28.509 28.738 -0.133 0.000 0.898 302 Q HN 0.540 nan 8.270 nan 0.000 0.424 303 I N 0.677 121.229 120.570 -0.031 0.000 2.163 303 I HA -0.327 3.843 4.170 0.000 0.000 0.243 303 I C 2.428 178.552 176.117 0.012 0.000 1.085 303 I CA 0.970 62.257 61.300 -0.020 0.000 1.347 303 I CB -0.328 37.647 38.000 -0.042 0.000 1.044 303 I HN 0.159 nan 8.210 nan 0.000 0.408 304 L N 0.357 121.579 121.223 -0.002 0.000 2.093 304 L HA -0.162 4.178 4.340 0.000 0.000 0.208 304 L C 2.688 179.563 176.870 0.008 0.000 1.085 304 L CA 1.285 56.125 54.840 -0.001 0.000 0.755 304 L CB -0.607 41.446 42.059 -0.010 0.000 0.904 304 L HN 0.239 nan 8.230 nan 0.000 0.435 305 A N -1.298 121.530 122.820 0.013 0.000 1.975 305 A HA -0.127 4.193 4.320 0.000 0.000 0.215 305 A C 0.903 178.496 177.584 0.014 0.000 1.170 305 A CA -0.077 51.963 52.037 0.005 0.000 0.656 305 A CB -0.480 18.517 19.000 -0.005 0.000 0.821 305 A HN 0.301 nan 8.150 nan 0.000 0.449 306 Y N 1.542 121.807 120.300 -0.059 0.000 2.865 306 Y HA 0.250 4.800 4.550 0.000 0.000 0.338 306 Y C 1.412 177.281 175.900 -0.051 0.000 1.269 306 Y CA 0.632 58.696 58.100 -0.060 0.000 1.585 306 Y CB -0.144 38.276 38.460 -0.066 0.000 1.224 306 Y HN 0.544 nan 8.280 nan 0.000 0.554 307 G N 4.437 112.817 108.800 -0.699 0.000 2.269 307 G HA2 -0.392 3.568 3.960 0.000 0.000 0.277 307 G HA3 -0.392 3.568 3.960 0.000 0.000 0.277 307 G C -0.134 174.636 174.900 -0.217 0.000 1.008 307 G CA 0.600 45.398 45.100 -0.503 0.000 0.774 307 G HN 0.881 nan 8.290 nan 0.000 0.511 308 N N -0.539 118.074 118.700 -0.145 0.000 2.664 308 N HA 0.396 5.136 4.740 0.000 0.000 0.257 308 N C 0.997 176.466 175.510 -0.067 0.000 1.108 308 N CA -0.069 52.933 53.050 -0.080 0.000 0.822 308 N CB 0.696 39.156 38.487 -0.045 0.000 1.199 308 N HN 0.270 nan 8.380 nan 0.000 0.529 309 Q N 1.225 120.984 119.800 -0.068 0.000 2.112 309 Q HA -0.269 4.071 4.340 0.000 0.000 0.206 309 Q C 0.584 176.562 176.000 -0.036 0.000 0.987 309 Q CA 2.036 57.807 55.803 -0.053 0.000 0.858 309 Q CB 0.250 28.958 28.738 -0.049 0.000 0.905 309 Q HN 0.621 nan 8.270 nan 0.000 0.420 310 E N -0.019 120.163 120.200 -0.030 0.000 2.058 310 E HA -0.175 4.175 4.350 0.000 0.000 0.194 310 E C 2.104 178.693 176.600 -0.017 0.000 0.997 310 E CA 1.697 58.085 56.400 -0.020 0.000 0.801 310 E CB -0.251 29.440 29.700 -0.015 0.000 0.746 310 E HN 0.212 nan 8.360 nan 0.000 0.450 311 S N 0.472 116.160 115.700 -0.019 0.000 2.382 311 S HA -0.134 4.336 4.470 0.000 0.000 0.228 311 S C 1.651 176.241 174.600 -0.017 0.000 1.027 311 S CA 1.131 59.322 58.200 -0.015 0.000 0.991 311 S CB -0.134 63.057 63.200 -0.015 0.000 0.823 311 S HN 0.215 nan 8.310 nan 0.000 0.469 312 K N 1.002 121.388 120.400 -0.023 0.000 2.097 312 K HA 0.032 4.352 4.320 0.000 0.000 0.205 312 K C 1.923 178.513 176.600 -0.016 0.000 1.050 312 K CA 0.886 57.160 56.287 -0.022 0.000 0.938 312 K CB -0.336 32.145 32.500 -0.031 0.000 0.718 312 K HN 0.312 nan 8.250 nan 0.000 0.442 313 L N 0.761 121.974 121.223 -0.016 0.000 2.093 313 L HA -0.133 4.207 4.340 0.000 0.000 0.208 313 L C 2.335 179.200 176.870 -0.007 0.000 1.085 313 L CA 0.992 55.826 54.840 -0.011 0.000 0.755 313 L CB -0.355 41.697 42.059 -0.011 0.000 0.904 313 L HN 0.152 nan 8.230 nan 0.000 0.435 314 I N -0.185 120.381 120.570 -0.007 0.000 2.252 314 I HA -0.292 3.878 4.170 0.000 0.000 0.245 314 I C 2.430 178.546 176.117 -0.002 0.000 1.102 314 I CA 1.390 62.689 61.300 -0.003 0.000 1.385 314 I CB -0.147 37.852 38.000 -0.002 0.000 1.064 314 I HN 0.177 nan 8.210 nan 0.000 0.414 315 I N 0.290 120.857 120.570 -0.005 0.000 2.226 315 I HA -0.310 3.860 4.170 0.000 0.000 0.245 315 I C 2.547 178.663 176.117 -0.002 0.000 1.100 315 I CA 1.184 62.481 61.300 -0.005 0.000 1.374 315 I CB -0.274 37.720 38.000 -0.010 0.000 1.057 315 I HN 0.254 nan 8.210 nan 0.000 0.413 316 L N 1.420 122.641 121.223 -0.003 0.000 1.989 316 L HA -0.175 4.165 4.340 0.000 0.000 0.211 316 L C 2.560 179.431 176.870 0.002 0.000 1.071 316 L CA 2.294 57.133 54.840 -0.001 0.000 0.749 316 L CB -0.924 41.133 42.059 -0.003 0.000 0.890 316 L HN 0.185 nan 8.230 nan 0.000 0.431 317 A N -1.482 121.339 122.820 0.001 0.000 1.978 317 A HA -0.164 4.156 4.320 0.000 0.000 0.220 317 A C 2.243 179.831 177.584 0.006 0.000 1.170 317 A CA 1.874 53.913 52.037 0.003 0.000 0.636 317 A CB -0.842 18.160 19.000 0.002 0.000 0.810 317 A HN 0.567 nan 8.150 nan 0.000 0.448 318 S N -1.480 114.224 115.700 0.006 0.000 2.603 318 S HA 0.348 4.818 4.470 0.000 0.000 0.220 318 S C 1.297 175.904 174.600 0.012 0.000 0.967 318 S CA 0.745 58.950 58.200 0.009 0.000 0.920 318 S CB -0.065 63.141 63.200 0.010 0.000 0.773 318 S HN 1.653 nan 8.310 nan 0.000 0.529 319 G N 1.010 109.816 108.800 0.010 0.000 2.149 319 G HA2 -0.218 3.743 3.960 0.000 0.000 0.235 319 G HA3 -0.218 3.743 3.960 0.000 0.000 0.235 319 G C 0.798 175.706 174.900 0.014 0.000 1.018 319 G CA 0.198 45.306 45.100 0.012 0.000 0.728 319 G HN 0.584 nan 8.290 nan 0.000 0.508 320 G N 0.734 109.540 108.800 0.009 0.000 2.446 320 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 320 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 320 G C 0.154 175.060 174.900 0.010 0.000 1.168 320 G CA 1.758 46.862 45.100 0.007 0.000 0.771 320 G HN 0.534 nan 8.290 nan 0.000 0.551 321 P HA -0.168 nan 4.420 nan 0.000 0.215 321 P C 1.841 179.153 177.300 0.019 0.000 1.157 321 P CA 1.788 64.896 63.100 0.012 0.000 0.874 321 P CB 0.005 31.711 31.700 0.010 0.000 0.790 322 Q N -0.236 119.575 119.800 0.020 0.000 2.084 322 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 322 Q C 2.039 178.059 176.000 0.033 0.000 0.978 322 Q CA 2.094 57.912 55.803 0.024 0.000 0.844 322 Q CB -1.317 27.434 28.738 0.021 0.000 0.898 322 Q HN 0.110 nan 8.270 nan 0.000 0.426 323 A N -0.156 122.684 122.820 0.033 0.000 1.930 323 A HA -0.093 4.227 4.320 0.000 0.000 0.217 323 A C 2.054 179.669 177.584 0.051 0.000 1.175 323 A CA 1.303 53.366 52.037 0.045 0.000 0.627 323 A CB -0.606 18.418 19.000 0.040 0.000 0.815 323 A HN 0.443 nan 8.150 nan 0.000 0.443 324 L N -0.854 120.390 121.223 0.035 0.000 2.072 324 L HA -0.097 4.243 4.340 0.000 0.000 0.205 324 L C 2.458 179.358 176.870 0.050 0.000 1.079 324 L CA 0.713 55.573 54.840 0.032 0.000 0.752 324 L CB -0.493 41.572 42.059 0.010 0.000 0.906 324 L HN 0.210 nan 8.230 nan 0.000 0.436 325 V N 0.324 120.267 119.914 0.047 0.000 2.407 325 V HA -0.259 3.861 4.120 0.000 0.000 0.248 325 V C 2.210 178.346 176.094 0.071 0.000 1.055 325 V CA 1.681 64.015 62.300 0.056 0.000 1.049 325 V CB -0.688 31.160 31.823 0.042 0.000 0.662 325 V HN 0.484 nan 8.190 nan 0.000 0.455 326 N N 0.245 118.986 118.700 0.068 0.000 2.120 326 N HA -0.095 4.645 4.740 0.000 0.000 0.188 326 N C 1.734 177.315 175.510 0.118 0.000 1.024 326 N CA 1.491 54.585 53.050 0.074 0.000 0.852 326 N CB -0.363 38.166 38.487 0.070 0.000 1.003 326 N HN 0.432 nan 8.380 nan 0.000 0.424 327 I N 0.609 121.278 120.570 0.164 0.000 2.226 327 I HA -0.226 3.944 4.170 0.000 0.000 0.245 327 I C 1.831 178.099 176.117 0.251 0.000 1.100 327 I CA 0.865 62.335 61.300 0.284 0.000 1.374 327 I CB -0.127 37.989 38.000 0.193 0.000 1.057 327 I HN 0.081 nan 8.210 nan 0.000 0.413 328 M N -0.055 119.646 119.600 0.167 0.000 2.296 328 M HA -0.135 4.345 4.480 0.000 0.000 0.265 328 M C 2.129 178.604 176.300 0.292 0.000 1.064 328 M CA 1.599 57.025 55.300 0.209 0.000 1.109 328 M CB -1.134 31.568 32.600 0.171 0.000 1.396 328 M HN 0.239 nan 8.290 nan 0.000 0.430 329 R N -1.232 119.358 120.500 0.150 0.000 2.254 329 R HA 0.074 4.414 4.340 0.000 0.000 0.195 329 R C 1.766 178.072 176.300 0.010 0.000 0.957 329 R CA 0.933 57.076 56.100 0.072 0.000 1.024 329 R CB -0.030 30.288 30.300 0.029 0.000 0.952 329 R HN 0.313 nan 8.270 nan 0.000 0.484 330 T N -0.544 113.990 114.554 -0.033 0.000 3.033 330 T HA 0.101 4.451 4.350 0.000 0.000 0.248 330 T C -0.033 174.424 174.700 -0.406 0.000 1.040 330 T CA 0.782 62.715 62.100 -0.279 0.000 1.133 330 T CB 0.078 68.643 68.868 -0.504 0.000 0.895 330 T HN 0.000 nan 8.240 nan 0.000 0.465 331 Y N 0.949 121.311 120.300 0.102 0.000 2.534 331 Y HA 0.446 4.996 4.550 0.000 0.000 0.329 331 Y C 1.633 177.617 175.900 0.141 0.000 1.154 331 Y CA -0.928 57.239 58.100 0.112 0.000 1.192 331 Y CB 1.193 39.722 38.460 0.116 0.000 1.275 331 Y HN -0.040 nan 8.280 nan 0.000 0.491 332 T N -3.426 111.316 114.554 0.314 0.000 3.010 332 T HA 0.059 4.409 4.350 0.000 0.000 0.257 332 T C -0.063 174.779 174.700 0.236 0.000 1.020 332 T CA -0.084 62.156 62.100 0.233 0.000 0.938 332 T CB -0.465 68.503 68.868 0.167 0.000 1.049 332 T HN 0.425 nan 8.240 nan 0.000 0.522 333 Y N 3.833 124.210 120.300 0.129 0.000 2.802 333 Y HA 0.152 4.702 4.550 0.000 0.000 0.351 333 Y C 1.629 177.563 175.900 0.057 0.000 1.237 333 Y CA -1.179 56.962 58.100 0.070 0.000 1.599 333 Y CB 0.271 38.751 38.460 0.034 0.000 1.214 333 Y HN 0.151 nan 8.280 nan 0.000 0.520 334 E N 4.749 124.832 120.200 -0.196 0.000 2.097 334 E HA -0.266 4.084 4.350 0.000 0.000 0.196 334 E C 1.354 177.807 176.600 -0.245 0.000 1.000 334 E CA 1.789 58.076 56.400 -0.188 0.000 0.804 334 E CB 0.209 29.820 29.700 -0.148 0.000 0.740 334 E HN 0.823 nan 8.360 nan 0.000 0.454 335 K N 0.102 120.161 120.400 -0.569 0.000 2.097 335 K HA -0.168 4.152 4.320 0.000 0.000 0.206 335 K C 2.249 178.790 176.600 -0.098 0.000 1.049 335 K CA 1.118 57.232 56.287 -0.289 0.000 0.933 335 K CB -0.213 32.032 32.500 -0.426 0.000 0.717 335 K HN 0.078 nan 8.250 nan 0.000 0.442 336 L N 1.293 122.413 121.223 -0.172 0.000 2.027 336 L HA -0.110 4.230 4.340 0.000 0.000 0.206 336 L C 1.809 178.669 176.870 -0.017 0.000 1.074 336 L CA 1.502 56.349 54.840 0.010 0.000 0.745 336 L CB -0.348 41.798 42.059 0.144 0.000 0.898 336 L HN 0.110 nan 8.230 nan 0.000 0.433 337 L N -1.881 119.334 121.223 -0.013 0.000 2.046 337 L HA -0.235 4.105 4.340 0.000 0.000 0.208 337 L C 2.405 179.258 176.870 -0.029 0.000 1.077 337 L CA 1.667 56.469 54.840 -0.063 0.000 0.747 337 L CB -0.808 41.163 42.059 -0.148 0.000 0.896 337 L HN 0.537 nan 8.230 nan 0.000 0.432 338 W N 0.966 122.180 121.300 -0.144 0.000 2.379 338 W HA -0.179 4.481 4.660 0.000 0.000 0.307 338 W C 2.513 178.988 176.519 -0.073 0.000 1.200 338 W CA 1.992 59.274 57.345 -0.105 0.000 1.297 338 W CB -0.597 28.798 29.460 -0.108 0.000 1.140 338 W HN -0.065 nan 8.180 nan 0.000 0.507 339 T N 0.227 114.582 114.554 -0.332 0.000 2.708 339 T HA -0.213 4.137 4.350 0.000 0.000 0.266 339 T C 1.629 176.118 174.700 -0.351 0.000 1.037 339 T CA 2.539 64.315 62.100 -0.540 0.000 1.146 339 T CB -0.880 67.799 68.868 -0.315 0.000 0.865 339 T HN 0.146 nan 8.240 nan 0.000 0.435 340 T N 2.270 116.703 114.554 -0.201 0.000 2.759 340 T HA -0.139 4.211 4.350 0.000 0.000 0.269 340 T C 2.440 177.066 174.700 -0.124 0.000 1.042 340 T CA 1.616 63.637 62.100 -0.132 0.000 1.140 340 T CB -0.492 68.335 68.868 -0.068 0.000 0.864 340 T HN 0.626 nan 8.240 nan 0.000 0.455 341 S N 1.765 117.384 115.700 -0.136 0.000 2.399 341 S HA -0.087 4.383 4.470 0.000 0.000 0.231 341 S C 2.018 176.562 174.600 -0.094 0.000 1.022 341 S CA 0.634 58.784 58.200 -0.083 0.000 0.983 341 S CB -0.338 62.837 63.200 -0.041 0.000 0.803 341 S HN 0.487 nan 8.310 nan 0.000 0.480 342 R N 0.601 120.968 120.500 -0.221 0.000 2.090 342 R HA 0.097 4.437 4.340 0.000 0.000 0.228 342 R C 2.283 178.511 176.300 -0.119 0.000 1.110 342 R CA 1.195 57.174 56.100 -0.203 0.000 0.973 342 R CB -0.663 29.389 30.300 -0.414 0.000 0.869 342 R HN 0.344 nan 8.270 nan 0.000 0.440 343 V N 1.617 121.453 119.914 -0.130 0.000 2.295 343 V HA -0.223 3.897 4.120 0.000 0.000 0.246 343 V C 2.315 178.385 176.094 -0.039 0.000 1.049 343 V CA 1.637 63.890 62.300 -0.077 0.000 1.024 343 V CB -0.461 31.312 31.823 -0.083 0.000 0.648 343 V HN 0.259 nan 8.190 nan 0.000 0.447 344 L N -0.063 121.140 121.223 -0.033 0.000 2.042 344 L HA -0.241 4.099 4.340 0.000 0.000 0.210 344 L C 2.623 179.501 176.870 0.014 0.000 1.076 344 L CA 2.113 56.950 54.840 -0.004 0.000 0.749 344 L CB -0.639 41.423 42.059 0.006 0.000 0.893 344 L HN 0.340 nan 8.230 nan 0.000 0.432 345 K N 0.143 120.558 120.400 0.024 0.000 2.032 345 K HA -0.188 4.132 4.320 0.000 0.000 0.209 345 K C 2.018 178.635 176.600 0.027 0.000 1.048 345 K CA 1.752 58.072 56.287 0.055 0.000 0.927 345 K CB -0.097 32.456 32.500 0.089 0.000 0.712 345 K HN 0.061 nan 8.250 nan 0.000 0.441 346 V N 1.830 121.754 119.914 0.017 0.000 2.287 346 V HA -0.268 3.852 4.120 0.000 0.000 0.248 346 V C 2.327 178.412 176.094 -0.015 0.000 1.053 346 V CA 1.779 64.085 62.300 0.010 0.000 1.027 346 V CB -0.368 31.475 31.823 0.034 0.000 0.646 346 V HN 0.348 nan 8.190 nan 0.000 0.447 347 L N 0.768 121.984 121.223 -0.010 0.000 2.141 347 L HA -0.114 4.226 4.340 0.000 0.000 0.209 347 L C 2.627 179.492 176.870 -0.008 0.000 1.094 347 L CA 1.586 56.418 54.840 -0.013 0.000 0.763 347 L CB -0.765 41.289 42.059 -0.009 0.000 0.908 347 L HN 0.556 nan 8.230 nan 0.000 0.437 348 S N -0.011 115.691 115.700 0.004 0.000 2.469 348 S HA -0.102 4.368 4.470 0.000 0.000 0.238 348 S C 1.638 176.240 174.600 0.004 0.000 0.998 348 S CA 0.960 59.167 58.200 0.012 0.000 0.957 348 S CB -0.757 62.462 63.200 0.032 0.000 0.764 348 S HN 0.367 nan 8.310 nan 0.000 0.514 349 V N -1.540 118.366 119.914 -0.012 0.000 3.623 349 V HA 0.345 4.465 4.120 0.000 0.000 0.271 349 V C 0.994 177.072 176.094 -0.027 0.000 1.248 349 V CA -0.463 61.824 62.300 -0.023 0.000 1.156 349 V CB -1.604 30.192 31.823 -0.045 0.000 0.870 349 V HN 0.646 nan 8.190 nan 0.000 0.453 350 C N 2.271 121.557 119.300 -0.023 0.000 2.285 350 C HA 0.583 5.043 4.460 0.000 0.000 0.335 350 C C 2.338 177.320 174.990 -0.013 0.000 1.267 350 C CA 0.318 59.323 59.018 -0.023 0.000 1.762 350 C CB 0.555 28.281 27.740 -0.024 0.000 2.365 350 C HN 0.735 nan 8.230 nan 0.000 0.527 351 S N 3.642 119.334 115.700 -0.013 0.000 2.469 351 S HA -0.101 4.369 4.470 0.000 0.000 0.238 351 S C 1.420 176.016 174.600 -0.005 0.000 0.998 351 S CA 1.715 59.911 58.200 -0.007 0.000 0.957 351 S CB -0.153 63.042 63.200 -0.007 0.000 0.764 351 S HN 0.840 nan 8.310 nan 0.000 0.514 352 S N 1.740 117.435 115.700 -0.007 0.000 2.456 352 S HA 0.173 4.643 4.470 0.000 0.000 0.224 352 S C 1.744 176.342 174.600 -0.003 0.000 1.035 352 S CA 0.084 58.281 58.200 -0.005 0.000 0.940 352 S CB -0.338 62.858 63.200 -0.007 0.000 0.799 352 S HN 0.571 nan 8.310 nan 0.000 0.508 353 N N 1.604 120.301 118.700 -0.005 0.000 2.300 353 N HA -0.006 4.734 4.740 0.000 0.000 0.179 353 N C 1.699 177.210 175.510 0.002 0.000 1.016 353 N CA 0.597 53.646 53.050 -0.002 0.000 0.876 353 N CB -0.066 38.417 38.487 -0.005 0.000 0.979 353 N HN 0.396 nan 8.380 nan 0.000 0.432 354 K N 1.351 121.753 120.400 0.002 0.000 2.001 354 K HA -0.144 4.176 4.320 0.000 0.000 0.214 354 K C -0.896 175.708 176.600 0.006 0.000 1.050 354 K CA 1.609 57.899 56.287 0.006 0.000 0.934 354 K CB -0.628 31.876 32.500 0.006 0.000 0.718 354 K HN 0.056 nan 8.250 nan 0.000 0.443 355 P HA -0.123 nan 4.420 nan 0.000 0.217 355 P C 0.847 178.150 177.300 0.004 0.000 1.150 355 P CA 1.850 64.952 63.100 0.004 0.000 0.832 355 P CB -0.038 31.664 31.700 0.002 0.000 0.787 356 A N -0.608 122.214 122.820 0.005 0.000 1.902 356 A HA -0.171 4.149 4.320 0.000 0.000 0.217 356 A C 2.206 179.795 177.584 0.008 0.000 1.181 356 A CA 1.421 53.461 52.037 0.006 0.000 0.623 356 A CB -1.610 17.393 19.000 0.005 0.000 0.818 356 A HN 0.102 nan 8.150 nan 0.000 0.443 357 I N -0.511 120.065 120.570 0.009 0.000 2.226 357 I HA -0.207 3.963 4.170 0.000 0.000 0.245 357 I C 2.331 178.457 176.117 0.014 0.000 1.100 357 I CA 1.071 62.379 61.300 0.013 0.000 1.374 357 I CB -0.341 37.668 38.000 0.015 0.000 1.057 357 I HN 0.149 nan 8.210 nan 0.000 0.413 358 V N 0.865 120.786 119.914 0.011 0.000 2.343 358 V HA -0.252 3.868 4.120 0.000 0.000 0.247 358 V C 2.319 178.417 176.094 0.006 0.000 1.051 358 V CA 1.848 64.154 62.300 0.009 0.000 1.036 358 V CB -0.638 31.188 31.823 0.006 0.000 0.654 358 V HN 0.444 nan 8.190 nan 0.000 0.451 359 E N 0.447 120.651 120.200 0.006 0.000 2.204 359 E HA -0.136 4.214 4.350 0.000 0.000 0.195 359 E C 2.043 178.647 176.600 0.006 0.000 0.990 359 E CA 1.147 57.550 56.400 0.004 0.000 0.821 359 E CB -0.242 29.460 29.700 0.004 0.000 0.750 359 E HN 0.598 nan 8.360 nan 0.000 0.477 360 A N 0.547 123.373 122.820 0.010 0.000 2.238 360 A HA 0.240 4.560 4.320 0.000 0.000 0.208 360 A C 1.612 179.204 177.584 0.014 0.000 1.177 360 A CA 0.756 52.801 52.037 0.013 0.000 0.804 360 A CB -0.244 18.766 19.000 0.017 0.000 0.823 360 A HN 0.307 nan 8.150 nan 0.000 0.482 361 G N -2.032 106.774 108.800 0.011 0.000 2.142 361 G HA2 -0.127 3.833 3.960 0.000 0.000 0.225 361 G HA3 -0.127 3.833 3.960 0.000 0.000 0.225 361 G C 1.107 176.017 174.900 0.018 0.000 1.015 361 G CA 0.475 45.581 45.100 0.010 0.000 0.716 361 G HN 1.187 nan 8.290 nan 0.000 0.508 362 G N -0.120 108.693 108.800 0.021 0.000 2.432 362 G HA2 -0.038 3.922 3.960 0.000 0.000 0.219 362 G HA3 -0.038 3.922 3.960 0.000 0.000 0.219 362 G C 1.866 176.785 174.900 0.032 0.000 1.135 362 G CA 1.651 46.770 45.100 0.031 0.000 0.767 362 G HN 0.433 nan 8.290 nan 0.000 0.550 363 M N 0.285 119.898 119.600 0.022 0.000 2.067 363 M HA -0.091 4.389 4.480 0.000 0.000 0.260 363 M C 2.666 178.976 176.300 0.017 0.000 1.069 363 M CA 1.404 56.716 55.300 0.019 0.000 1.117 363 M CB -1.293 31.312 32.600 0.009 0.000 1.334 363 M HN 0.213 nan 8.290 nan 0.000 0.407 364 Q N 0.275 120.080 119.800 0.008 0.000 2.079 364 Q HA 0.007 4.347 4.340 0.000 0.000 0.200 364 Q C 2.279 178.281 176.000 0.004 0.000 0.974 364 Q CA 1.993 57.795 55.803 -0.001 0.000 0.840 364 Q CB -0.777 27.956 28.738 -0.008 0.000 0.898 364 Q HN 0.593 nan 8.270 nan 0.000 0.430 365 A N 0.571 123.405 122.820 0.022 0.000 1.908 365 A HA -0.178 4.142 4.320 0.000 0.000 0.218 365 A C 2.060 179.703 177.584 0.098 0.000 1.181 365 A CA 1.393 53.458 52.037 0.047 0.000 0.627 365 A CB -0.792 18.249 19.000 0.067 0.000 0.818 365 A HN 0.353 nan 8.150 nan 0.000 0.445 366 L N -0.817 120.466 121.223 0.101 0.000 2.141 366 L HA -0.070 4.270 4.340 0.000 0.000 0.209 366 L C 2.743 179.674 176.870 0.103 0.000 1.094 366 L CA 0.815 55.739 54.840 0.141 0.000 0.763 366 L CB -0.663 41.448 42.059 0.088 0.000 0.908 366 L HN 0.487 nan 8.230 nan 0.000 0.437 367 G N 0.201 109.023 108.800 0.036 0.000 2.448 367 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 367 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 367 G C 1.564 176.437 174.900 -0.044 0.000 1.127 367 G CA 0.314 45.415 45.100 0.001 0.000 0.766 367 G HN 0.284 nan 8.290 nan 0.000 0.552 368 L N -0.121 121.032 121.223 -0.117 0.000 2.353 368 L HA -0.009 4.331 4.340 0.000 0.000 0.220 368 L C 1.877 178.500 176.870 -0.410 0.000 1.133 368 L CA 0.686 55.351 54.840 -0.291 0.000 0.798 368 L CB -0.291 41.502 42.059 -0.444 0.000 0.922 368 L HN 0.302 nan 8.230 nan 0.000 0.445 369 H N -1.119 117.955 119.070 0.006 0.000 2.672 369 H HA 0.212 4.768 4.556 0.000 0.000 0.277 369 H C 1.979 177.303 175.328 -0.006 0.000 1.074 369 H CA -0.057 55.995 56.048 0.007 0.000 1.173 369 H CB 0.645 30.419 29.762 0.020 0.000 1.558 369 H HN 0.303 nan 8.280 nan 0.000 0.539 370 L N 1.145 122.403 121.223 0.058 0.000 2.450 370 L HA -0.081 4.259 4.340 0.000 0.000 0.224 370 L C 1.655 178.528 176.870 0.004 0.000 1.149 370 L CA 1.616 56.468 54.840 0.021 0.000 0.816 370 L CB -0.167 41.891 42.059 -0.002 0.000 0.932 370 L HN 0.248 nan 8.230 nan 0.000 0.449 371 T N -5.745 108.813 114.554 0.007 0.000 3.182 371 T HA 0.087 4.437 4.350 0.000 0.000 0.277 371 T C 0.429 175.135 174.700 0.010 0.000 1.013 371 T CA -0.600 61.499 62.100 -0.002 0.000 0.900 371 T CB -0.041 68.821 68.868 -0.010 0.000 1.098 371 T HN 0.061 nan 8.240 nan 0.000 0.543 372 D N 2.300 122.721 120.400 0.034 0.000 2.400 372 D HA 0.102 4.742 4.640 0.000 0.000 0.238 372 D C -1.450 174.857 176.300 0.012 0.000 1.157 372 D CA -1.376 52.651 54.000 0.045 0.000 0.889 372 D CB 1.794 42.650 40.800 0.093 0.000 1.199 372 D HN 0.005 nan 8.370 nan 0.000 0.436 373 P HA -0.048 nan 4.420 nan 0.000 0.221 373 P C 0.261 177.542 177.300 -0.031 0.000 1.150 373 P CA 0.472 63.563 63.100 -0.015 0.000 0.800 373 P CB 0.187 31.879 31.700 -0.013 0.000 0.787 374 S N 0.243 115.924 115.700 -0.031 0.000 2.429 374 S HA 0.007 4.477 4.470 0.000 0.000 0.292 374 S C 1.339 175.905 174.600 -0.057 0.000 1.183 374 S CA -0.385 57.779 58.200 -0.060 0.000 1.088 374 S CB 0.076 63.237 63.200 -0.064 0.000 1.018 374 S HN -0.108 nan 8.310 nan 0.000 0.511 375 Q N 5.186 124.942 119.800 -0.073 0.000 2.167 375 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 375 Q C 2.217 178.171 176.000 -0.077 0.000 0.970 375 Q CA 1.933 57.691 55.803 -0.074 0.000 0.855 375 Q CB -0.114 28.580 28.738 -0.073 0.000 0.911 375 Q HN 0.916 nan 8.270 nan 0.000 0.438 376 R N -0.666 119.783 120.500 -0.085 0.000 2.115 376 R HA -0.098 4.242 4.340 0.000 0.000 0.230 376 R C 1.992 178.357 176.300 0.108 0.000 1.111 376 R CA 1.364 57.451 56.100 -0.022 0.000 0.976 376 R CB -0.794 29.387 30.300 -0.199 0.000 0.870 376 R HN 0.280 nan 8.270 nan 0.000 0.445 377 L N 1.387 122.651 121.223 0.068 0.000 2.027 377 L HA -0.052 4.288 4.340 0.000 0.000 0.206 377 L C 2.195 179.089 176.870 0.040 0.000 1.074 377 L CA 1.345 56.252 54.840 0.111 0.000 0.745 377 L CB -0.293 41.793 42.059 0.046 0.000 0.898 377 L HN 0.034 nan 8.230 nan 0.000 0.433 378 V N -0.308 119.600 119.914 -0.009 0.000 2.295 378 V HA -0.311 3.809 4.120 0.000 0.000 0.246 378 V C 2.651 178.664 176.094 -0.136 0.000 1.049 378 V CA 1.941 64.214 62.300 -0.045 0.000 1.024 378 V CB -0.662 31.127 31.823 -0.057 0.000 0.648 378 V HN 0.572 nan 8.190 nan 0.000 0.447 379 Q N 0.413 120.074 119.800 -0.232 0.000 2.124 379 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 379 Q C 2.016 177.682 176.000 -0.557 0.000 0.977 379 Q CA 1.758 57.225 55.803 -0.559 0.000 0.850 379 Q CB -0.467 27.827 28.738 -0.741 0.000 0.901 379 Q HN 0.622 nan 8.270 nan 0.000 0.429 380 N N -0.932 117.706 118.700 -0.104 0.000 2.188 380 N HA -0.118 4.622 4.740 0.000 0.000 0.184 380 N C 1.623 177.201 175.510 0.113 0.000 1.018 380 N CA 1.295 54.464 53.050 0.198 0.000 0.858 380 N CB -0.259 38.377 38.487 0.248 0.000 0.989 380 N HN 0.321 nan 8.380 nan 0.000 0.426 381 C N 0.844 120.162 119.300 0.030 0.000 2.425 381 C HA 0.016 4.477 4.460 0.000 0.000 0.277 381 C C 2.833 177.834 174.990 0.019 0.000 1.280 381 C CA 0.190 59.232 59.018 0.040 0.000 1.744 381 C CB -1.118 26.652 27.740 0.049 0.000 1.989 381 C HN 0.402 nan 8.230 nan 0.000 0.491 382 L N -0.820 120.359 121.223 -0.074 0.000 2.056 382 L HA -0.127 4.213 4.340 0.000 0.000 0.207 382 L C 2.747 179.621 176.870 0.007 0.000 1.078 382 L CA 1.401 56.184 54.840 -0.096 0.000 0.749 382 L CB -0.582 41.337 42.059 -0.233 0.000 0.901 382 L HN 0.487 nan 8.230 nan 0.000 0.433 383 W N 0.494 121.813 121.300 0.032 0.000 2.355 383 W HA -0.145 4.515 4.660 0.000 0.000 0.309 383 W C 2.686 179.219 176.519 0.022 0.000 1.206 383 W CA 1.537 58.898 57.345 0.028 0.000 1.284 383 W CB -1.436 28.043 29.460 0.032 0.000 1.145 383 W HN 0.183 nan 8.180 nan 0.000 0.502 384 T N 1.484 116.194 114.554 0.260 0.000 2.674 384 T HA -0.191 4.159 4.350 0.000 0.000 0.265 384 T C 2.137 176.900 174.700 0.106 0.000 1.039 384 T CA 1.568 63.757 62.100 0.149 0.000 1.150 384 T CB -0.797 68.137 68.868 0.109 0.000 0.864 384 T HN 0.006 nan 8.240 nan 0.000 0.427 385 L N 0.437 121.713 121.223 0.089 0.000 2.013 385 L HA -0.159 4.181 4.340 0.000 0.000 0.212 385 L C 2.910 179.819 176.870 0.066 0.000 1.073 385 L CA 1.536 56.413 54.840 0.062 0.000 0.753 385 L CB -0.459 41.626 42.059 0.042 0.000 0.890 385 L HN 0.174 nan 8.230 nan 0.000 0.432 386 R N -0.004 120.550 120.500 0.090 0.000 2.096 386 R HA -0.162 4.178 4.340 0.000 0.000 0.235 386 R C 2.115 178.463 176.300 0.081 0.000 1.127 386 R CA 1.553 57.707 56.100 0.090 0.000 0.968 386 R CB -0.083 30.293 30.300 0.126 0.000 0.861 386 R HN 0.407 nan 8.270 nan 0.000 0.440 387 N N 0.623 119.377 118.700 0.089 0.000 2.166 387 N HA -0.145 4.595 4.740 0.000 0.000 0.186 387 N C 1.733 177.269 175.510 0.044 0.000 1.019 387 N CA 1.152 54.239 53.050 0.062 0.000 0.856 387 N CB -0.127 38.395 38.487 0.058 0.000 0.993 387 N HN 0.285 nan 8.380 nan 0.000 0.426 388 L N 0.903 122.153 121.223 0.045 0.000 2.313 388 L HA -0.020 4.320 4.340 0.000 0.000 0.214 388 L C 2.283 179.169 176.870 0.027 0.000 1.119 388 L CA 0.494 55.353 54.840 0.032 0.000 0.809 388 L CB -0.463 41.615 42.059 0.032 0.000 0.933 388 L HN 0.172 nan 8.230 nan 0.000 0.449 389 S N 0.234 115.954 115.700 0.033 0.000 2.392 389 S HA -0.272 4.198 4.470 0.000 0.000 0.232 389 S C 1.619 176.232 174.600 0.021 0.000 1.041 389 S CA 1.585 59.801 58.200 0.027 0.000 1.026 389 S CB -0.705 62.516 63.200 0.035 0.000 0.845 389 S HN 0.663 nan 8.310 nan 0.000 0.465 390 D N 2.141 122.555 120.400 0.024 0.000 2.310 390 D HA 0.000 4.640 4.640 0.000 0.000 0.212 390 D C 1.251 177.556 176.300 0.009 0.000 0.965 390 D CA 1.060 55.071 54.000 0.018 0.000 0.879 390 D CB -0.217 40.597 40.800 0.023 0.000 0.921 390 D HN 0.640 nan 8.370 nan 0.000 0.510 391 A N -0.033 122.792 122.820 0.008 0.000 2.713 391 A HA 0.624 4.944 4.320 0.000 0.000 0.296 391 A C 1.086 178.670 177.584 -0.000 0.000 1.255 391 A CA 0.002 52.041 52.037 0.004 0.000 0.955 391 A CB 0.282 19.285 19.000 0.006 0.000 1.149 391 A HN 0.267 nan 8.150 nan 0.000 0.538 392 A N -1.244 121.574 122.820 -0.004 0.000 2.605 392 A HA 0.343 4.663 4.320 0.000 0.000 0.292 392 A C 1.197 178.768 177.584 -0.022 0.000 1.055 392 A CA 0.603 52.634 52.037 -0.010 0.000 0.969 392 A CB -0.504 18.493 19.000 -0.005 0.000 1.236 392 A HN 0.181 nan 8.150 nan 0.000 0.534 393 T N 0.948 115.486 114.554 -0.026 0.000 3.025 393 T HA -0.129 4.221 4.350 0.000 0.000 0.270 393 T C 1.764 176.437 174.700 -0.046 0.000 1.126 393 T CA 1.773 63.848 62.100 -0.041 0.000 1.105 393 T CB -0.248 68.597 68.868 -0.039 0.000 0.884 393 T HN 0.838 nan 8.240 nan 0.000 0.522 394 K N 0.296 120.676 120.400 -0.033 0.000 2.262 394 K HA 0.140 4.460 4.320 0.000 0.000 0.200 394 K C 0.879 177.458 176.600 -0.035 0.000 1.049 394 K CA 0.097 56.365 56.287 -0.031 0.000 0.979 394 K CB 0.128 32.617 32.500 -0.018 0.000 0.773 394 K HN 0.109 nan 8.250 nan 0.000 0.474 395 Q N 2.223 122.003 119.800 -0.033 0.000 2.395 395 Q HA 0.015 4.355 4.340 0.000 0.000 0.271 395 Q C -0.269 175.705 176.000 -0.044 0.000 1.026 395 Q CA 0.678 56.462 55.803 -0.031 0.000 0.900 395 Q CB 1.139 29.863 28.738 -0.024 0.000 1.266 395 Q HN 0.551 nan 8.270 nan 0.000 0.430 396 E N -1.563 118.615 120.200 -0.037 0.000 2.339 396 E HA 0.647 4.997 4.350 0.000 0.000 0.262 396 E C 0.038 176.618 176.600 -0.032 0.000 0.934 396 E CA -0.795 55.580 56.400 -0.042 0.000 0.802 396 E CB 0.960 30.639 29.700 -0.035 0.000 1.275 396 E HN 0.569 nan 8.360 nan 0.000 0.427 397 G N 0.831 109.612 108.800 -0.032 0.000 2.221 397 G HA2 -0.217 3.743 3.960 0.000 0.000 0.265 397 G HA3 -0.217 3.743 3.960 0.000 0.000 0.265 397 G C 0.447 175.331 174.900 -0.027 0.000 1.041 397 G CA 0.505 45.590 45.100 -0.026 0.000 0.807 397 G HN 0.351 nan 8.290 nan 0.000 0.502 398 M N -0.696 118.885 119.600 -0.032 0.000 2.428 398 M HA 0.162 4.642 4.480 0.000 0.000 0.239 398 M C 1.939 178.222 176.300 -0.029 0.000 1.121 398 M CA 0.678 55.960 55.300 -0.031 0.000 1.019 398 M CB -0.223 32.354 32.600 -0.038 0.000 1.485 398 M HN 0.370 nan 8.290 nan 0.000 0.484 399 E N 0.896 121.079 120.200 -0.028 0.000 2.085 399 E HA -0.135 4.215 4.350 0.000 0.000 0.194 399 E C 2.155 178.743 176.600 -0.021 0.000 0.994 399 E CA 1.742 58.128 56.400 -0.024 0.000 0.801 399 E CB -0.629 29.058 29.700 -0.020 0.000 0.743 399 E HN 0.585 nan 8.360 nan 0.000 0.453 400 G N 0.896 109.683 108.800 -0.022 0.000 2.421 400 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 400 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 400 G C 1.516 176.403 174.900 -0.022 0.000 1.171 400 G CA 0.815 45.902 45.100 -0.022 0.000 0.775 400 G HN 0.189 nan 8.290 nan 0.000 0.543 401 L N 0.626 121.837 121.223 -0.021 0.000 1.994 401 L HA 0.049 4.389 4.340 0.000 0.000 0.208 401 L C 2.762 179.623 176.870 -0.016 0.000 1.071 401 L CA 1.504 56.334 54.840 -0.017 0.000 0.745 401 L CB -0.686 41.365 42.059 -0.013 0.000 0.892 401 L HN 0.225 nan 8.230 nan 0.000 0.431 402 L N -0.558 120.654 121.223 -0.017 0.000 2.012 402 L HA -0.166 4.174 4.340 0.000 0.000 0.210 402 L C 2.555 179.416 176.870 -0.015 0.000 1.073 402 L CA 1.435 56.265 54.840 -0.017 0.000 0.748 402 L CB -1.512 40.534 42.059 -0.022 0.000 0.891 402 L HN 0.493 nan 8.230 nan 0.000 0.431 403 G N -0.833 107.957 108.800 -0.016 0.000 2.446 403 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 403 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 403 G C 1.573 176.464 174.900 -0.015 0.000 1.168 403 G CA 1.341 46.432 45.100 -0.014 0.000 0.771 403 G HN 0.312 nan 8.290 nan 0.000 0.551 404 T N 1.436 115.980 114.554 -0.017 0.000 2.746 404 T HA -0.037 4.313 4.350 0.000 0.000 0.267 404 T C 2.441 177.131 174.700 -0.018 0.000 1.039 404 T CA 0.968 63.057 62.100 -0.018 0.000 1.142 404 T CB -0.227 68.630 68.868 -0.019 0.000 0.866 404 T HN 0.152 nan 8.240 nan 0.000 0.444 405 L N 0.733 121.946 121.223 -0.016 0.000 2.012 405 L HA -0.107 4.233 4.340 0.000 0.000 0.210 405 L C 2.695 179.556 176.870 -0.015 0.000 1.073 405 L CA 0.961 55.792 54.840 -0.015 0.000 0.748 405 L CB -0.789 41.264 42.059 -0.010 0.000 0.891 405 L HN 0.136 nan 8.230 nan 0.000 0.431 406 V N -0.435 119.470 119.914 -0.014 0.000 2.392 406 V HA -0.329 3.791 4.120 0.000 0.000 0.249 406 V C 2.481 178.563 176.094 -0.019 0.000 1.059 406 V CA 1.788 64.079 62.300 -0.016 0.000 1.051 406 V CB -0.547 31.267 31.823 -0.015 0.000 0.658 406 V HN 0.522 nan 8.190 nan 0.000 0.455 407 Q N -0.612 119.177 119.800 -0.019 0.000 2.119 407 Q HA -0.085 4.255 4.340 0.000 0.000 0.201 407 Q C 2.217 178.204 176.000 -0.021 0.000 0.972 407 Q CA 1.233 57.024 55.803 -0.020 0.000 0.847 407 Q CB -0.185 28.542 28.738 -0.019 0.000 0.903 407 Q HN 0.542 nan 8.270 nan 0.000 0.433 408 L N 0.667 121.876 121.223 -0.023 0.000 2.456 408 L HA -0.137 4.203 4.340 0.000 0.000 0.224 408 L C 2.006 178.862 176.870 -0.025 0.000 1.148 408 L CA 0.364 55.188 54.840 -0.027 0.000 0.825 408 L CB -0.278 41.761 42.059 -0.033 0.000 0.937 408 L HN 0.264 nan 8.230 nan 0.000 0.450 409 L N -0.361 120.850 121.223 -0.021 0.000 2.201 409 L HA -0.100 4.240 4.340 0.000 0.000 0.212 409 L C 2.383 179.242 176.870 -0.017 0.000 1.105 409 L CA 1.089 55.919 54.840 -0.017 0.000 0.775 409 L CB -0.687 41.362 42.059 -0.016 0.000 0.913 409 L HN 0.318 nan 8.230 nan 0.000 0.440 410 G N -1.217 107.571 108.800 -0.020 0.000 2.848 410 G HA2 -0.102 3.858 3.960 0.000 0.000 0.208 410 G HA3 -0.102 3.858 3.960 0.000 0.000 0.208 410 G C 0.826 175.715 174.900 -0.018 0.000 1.152 410 G CA 0.052 45.141 45.100 -0.018 0.000 0.789 410 G HN 0.244 nan 8.290 nan 0.000 0.531 411 S N 0.526 116.213 115.700 -0.021 0.000 2.572 411 S HA 0.051 4.521 4.470 0.000 0.000 0.267 411 S C 1.474 176.063 174.600 -0.018 0.000 1.361 411 S CA 0.419 58.606 58.200 -0.023 0.000 1.009 411 S CB 0.650 63.831 63.200 -0.031 0.000 0.888 411 S HN 0.456 nan 8.310 nan 0.000 0.553 412 D N 0.671 121.060 120.400 -0.019 0.000 2.367 412 D HA 0.021 4.661 4.640 0.000 0.000 0.207 412 D C -0.021 176.271 176.300 -0.013 0.000 1.034 412 D CA -0.100 53.892 54.000 -0.014 0.000 0.861 412 D CB -0.236 40.556 40.800 -0.013 0.000 0.943 412 D HN 0.474 nan 8.370 nan 0.000 0.515 413 D N 1.493 121.881 120.400 -0.020 0.000 2.316 413 D HA 0.045 4.685 4.640 0.000 0.000 0.245 413 D C 1.226 177.517 176.300 -0.016 0.000 1.171 413 D CA -0.420 53.567 54.000 -0.021 0.000 0.856 413 D CB 1.601 42.377 40.800 -0.040 0.000 1.090 413 D HN 0.020 nan 8.370 nan 0.000 0.476 414 I N 4.129 124.699 120.570 0.001 0.000 2.286 414 I HA -0.285 3.885 4.170 0.000 0.000 0.248 414 I C 1.438 177.565 176.117 0.017 0.000 1.115 414 I CA 1.161 62.468 61.300 0.012 0.000 1.392 414 I CB 0.075 38.089 38.000 0.025 0.000 1.065 414 I HN 0.416 nan 8.210 nan 0.000 0.418 415 N N -0.230 118.481 118.700 0.019 0.000 2.166 415 N HA -0.172 4.568 4.740 0.000 0.000 0.186 415 N C 1.799 177.275 175.510 -0.055 0.000 1.019 415 N CA 1.321 54.386 53.050 0.025 0.000 0.856 415 N CB 0.023 38.529 38.487 0.032 0.000 0.993 415 N HN 0.208 nan 8.380 nan 0.000 0.426 416 V N 0.633 120.498 119.914 -0.083 0.000 2.307 416 V HA -0.163 3.957 4.120 0.000 0.000 0.245 416 V C 2.209 178.271 176.094 -0.053 0.000 1.045 416 V CA 1.247 63.488 62.300 -0.099 0.000 1.024 416 V CB -0.307 31.463 31.823 -0.089 0.000 0.651 416 V HN 0.138 nan 8.190 nan 0.000 0.449 417 V N -0.239 119.658 119.914 -0.028 0.000 2.358 417 V HA -0.259 3.861 4.120 0.000 0.000 0.246 417 V C 2.566 178.661 176.094 0.001 0.000 1.047 417 V CA 2.550 64.843 62.300 -0.012 0.000 1.035 417 V CB -1.098 30.723 31.823 -0.005 0.000 0.658 417 V HN 0.598 nan 8.190 nan 0.000 0.452 418 T N -0.889 113.674 114.554 0.014 0.000 2.684 418 T HA -0.261 4.089 4.350 0.000 0.000 0.267 418 T C 1.977 176.700 174.700 0.039 0.000 1.036 418 T CA 2.097 64.219 62.100 0.036 0.000 1.148 418 T CB -0.545 68.360 68.868 0.062 0.000 0.863 418 T HN 0.528 nan 8.240 nan 0.000 0.436 419 C N 1.427 120.743 119.300 0.026 0.000 2.446 419 C HA 0.113 4.573 4.460 0.000 0.000 0.277 419 C C 3.240 178.237 174.990 0.013 0.000 1.275 419 C CA 0.288 59.322 59.018 0.026 0.000 1.727 419 C CB -1.447 26.272 27.740 -0.035 0.000 2.010 419 C HN 0.670 nan 8.230 nan 0.000 0.486 420 A N 0.627 123.443 122.820 -0.007 0.000 1.883 420 A HA -0.031 4.289 4.320 0.000 0.000 0.217 420 A C 2.364 179.953 177.584 0.008 0.000 1.186 420 A CA 2.317 54.351 52.037 -0.005 0.000 0.624 420 A CB -0.985 18.006 19.000 -0.015 0.000 0.822 420 A HN 0.591 nan 8.150 nan 0.000 0.444 421 A N -0.573 122.254 122.820 0.012 0.000 1.877 421 A HA 0.109 4.429 4.320 0.000 0.000 0.216 421 A C 2.459 180.059 177.584 0.027 0.000 1.186 421 A CA 2.055 54.102 52.037 0.016 0.000 0.620 421 A CB -1.476 17.533 19.000 0.016 0.000 0.822 421 A HN 0.765 nan 8.150 nan 0.000 0.443 422 G N 0.051 108.873 108.800 0.037 0.000 2.421 422 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 422 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 422 G C 1.536 176.467 174.900 0.051 0.000 1.171 422 G CA 1.163 46.293 45.100 0.049 0.000 0.775 422 G HN 0.479 nan 8.290 nan 0.000 0.543 423 I N 0.419 121.015 120.570 0.044 0.000 2.163 423 I HA -0.179 3.991 4.170 0.000 0.000 0.243 423 I C 2.750 178.890 176.117 0.038 0.000 1.085 423 I CA 0.816 62.139 61.300 0.039 0.000 1.347 423 I CB -0.265 37.752 38.000 0.027 0.000 1.044 423 I HN 0.122 nan 8.210 nan 0.000 0.408 424 L N -0.292 120.950 121.223 0.033 0.000 2.046 424 L HA -0.224 4.116 4.340 0.000 0.000 0.208 424 L C 2.757 179.670 176.870 0.071 0.000 1.077 424 L CA 1.390 56.251 54.840 0.036 0.000 0.747 424 L CB -0.574 41.499 42.059 0.023 0.000 0.896 424 L HN 0.258 nan 8.230 nan 0.000 0.432 425 S N 0.100 115.846 115.700 0.077 0.000 2.356 425 S HA -0.175 4.295 4.470 0.000 0.000 0.223 425 S C 1.850 176.586 174.600 0.226 0.000 1.032 425 S CA 1.682 59.959 58.200 0.129 0.000 1.005 425 S CB -0.163 63.074 63.200 0.060 0.000 0.867 425 S HN 0.435 nan 8.310 nan 0.000 0.449 426 N N 1.254 120.031 118.700 0.127 0.000 2.216 426 N HA 0.093 4.833 4.740 0.000 0.000 0.183 426 N C 1.690 177.222 175.510 0.038 0.000 1.017 426 N CA 0.883 53.986 53.050 0.089 0.000 0.861 426 N CB -0.541 37.982 38.487 0.060 0.000 0.986 426 N HN 0.404 nan 8.380 nan 0.000 0.428 427 L N 0.650 121.893 121.223 0.034 0.000 2.275 427 L HA -0.063 4.277 4.340 0.000 0.000 0.215 427 L C 1.834 178.691 176.870 -0.023 0.000 1.119 427 L CA 1.170 56.008 54.840 -0.002 0.000 0.790 427 L CB -0.581 41.477 42.059 -0.003 0.000 0.919 427 L HN 0.289 nan 8.230 nan 0.000 0.443 428 T N -4.424 110.139 114.554 0.015 0.000 3.065 428 T HA -0.031 4.319 4.350 0.000 0.000 0.252 428 T C 0.932 175.532 174.700 -0.167 0.000 1.099 428 T CA -0.336 61.758 62.100 -0.011 0.000 1.063 428 T CB -0.667 68.264 68.868 0.105 0.000 0.948 428 T HN 0.268 nan 8.240 nan 0.000 0.506 429 C N 3.724 122.853 119.300 -0.285 0.000 2.662 429 C HA 0.233 4.693 4.460 0.000 0.000 0.402 429 C C 0.819 175.643 174.990 -0.276 0.000 1.397 429 C CA -0.477 58.192 59.018 -0.581 0.000 1.575 429 C CB -2.242 25.286 27.740 -0.353 0.000 2.406 429 C HN 0.706 nan 8.230 nan 0.000 0.609 430 N N 3.350 121.907 118.700 -0.238 0.000 2.727 430 N HA -0.206 4.534 4.740 0.000 0.000 0.249 430 N C -0.721 174.763 175.510 -0.043 0.000 1.048 430 N CA 1.231 54.229 53.050 -0.087 0.000 0.714 430 N CB -1.185 37.267 38.487 -0.059 0.000 0.959 430 N HN 0.924 nan 8.380 nan 0.000 0.544 431 N N 0.337 119.000 118.700 -0.062 0.000 2.609 431 N HA 0.067 4.807 4.740 0.000 0.000 0.268 431 N C 0.996 176.444 175.510 -0.103 0.000 1.106 431 N CA -0.478 52.517 53.050 -0.092 0.000 0.823 431 N CB 0.404 38.817 38.487 -0.124 0.000 1.263 431 N HN 0.219 nan 8.380 nan 0.000 0.533 432 Y N 2.837 123.113 120.300 -0.041 0.000 2.256 432 Y HA 0.001 4.551 4.550 0.000 0.000 0.288 432 Y C 1.575 177.443 175.900 -0.053 0.000 1.155 432 Y CA 1.175 59.254 58.100 -0.035 0.000 1.203 432 Y CB -0.095 38.387 38.460 0.036 0.000 0.980 432 Y HN 0.227 nan 8.280 nan 0.000 0.530 433 K N 0.401 120.367 120.400 -0.723 0.000 2.057 433 K HA -0.139 4.181 4.320 0.000 0.000 0.207 433 K C 1.657 178.130 176.600 -0.211 0.000 1.049 433 K CA 1.481 57.504 56.287 -0.441 0.000 0.931 433 K CB -0.254 31.943 32.500 -0.504 0.000 0.714 433 K HN 0.362 nan 8.250 nan 0.000 0.440 434 N N 1.183 119.762 118.700 -0.203 0.000 2.244 434 N HA -0.096 4.644 4.740 0.000 0.000 0.183 434 N C 1.446 176.877 175.510 -0.131 0.000 1.016 434 N CA 1.026 53.997 53.050 -0.130 0.000 0.866 434 N CB -0.001 38.423 38.487 -0.105 0.000 0.980 434 N HN 0.200 nan 8.380 nan 0.000 0.430 435 K N 0.305 120.589 120.400 -0.192 0.000 2.026 435 K HA -0.001 4.319 4.320 0.000 0.000 0.208 435 K C 1.995 178.412 176.600 -0.304 0.000 1.048 435 K CA 0.946 57.033 56.287 -0.334 0.000 0.929 435 K CB -0.049 32.058 32.500 -0.656 0.000 0.713 435 K HN 0.108 nan 8.250 nan 0.000 0.439 436 M N 0.233 119.730 119.600 -0.171 0.000 2.065 436 M HA -0.162 4.318 4.480 0.000 0.000 0.259 436 M C 2.255 178.567 176.300 0.020 0.000 1.069 436 M CA 1.598 56.917 55.300 0.033 0.000 1.110 436 M CB -0.710 31.956 32.600 0.109 0.000 1.328 436 M HN 0.176 nan 8.290 nan 0.000 0.405 437 M N -0.174 119.417 119.600 -0.015 0.000 2.159 437 M HA -0.103 4.377 4.480 0.000 0.000 0.263 437 M C 2.332 178.627 176.300 -0.008 0.000 1.063 437 M CA 1.221 56.516 55.300 -0.010 0.000 1.110 437 M CB -1.478 31.106 32.600 -0.026 0.000 1.374 437 M HN 0.106 nan 8.290 nan 0.000 0.411 438 V N -0.540 119.360 119.914 -0.023 0.000 2.407 438 V HA -0.279 3.841 4.120 0.000 0.000 0.248 438 V C 2.554 178.654 176.094 0.010 0.000 1.055 438 V CA 1.467 63.760 62.300 -0.012 0.000 1.049 438 V CB -0.797 31.014 31.823 -0.020 0.000 0.662 438 V HN 0.492 nan 8.190 nan 0.000 0.455 439 C N -0.816 118.501 119.300 0.029 0.000 2.446 439 C HA -0.132 4.328 4.460 0.000 0.000 0.277 439 C C 2.857 177.881 174.990 0.057 0.000 1.275 439 C CA 1.137 60.196 59.018 0.068 0.000 1.727 439 C CB -0.701 27.125 27.740 0.143 0.000 2.010 439 C HN 0.592 nan 8.230 nan 0.000 0.486 440 Q N 1.368 121.199 119.800 0.050 0.000 2.077 440 Q HA -0.165 4.175 4.340 0.000 0.000 0.206 440 Q C 1.991 178.007 176.000 0.027 0.000 0.989 440 Q CA 2.458 58.285 55.803 0.041 0.000 0.853 440 Q CB -0.406 28.353 28.738 0.035 0.000 0.907 440 Q HN 0.626 nan 8.270 nan 0.000 0.418 441 V N -2.607 117.316 119.914 0.016 0.000 3.592 441 V HA 0.339 4.459 4.120 0.000 0.000 0.272 441 V C 1.032 177.127 176.094 0.002 0.000 1.228 441 V CA 0.973 63.277 62.300 0.007 0.000 1.173 441 V CB -0.718 31.104 31.823 -0.001 0.000 0.873 441 V HN 0.497 nan 8.190 nan 0.000 0.476 442 G N -0.842 107.962 108.800 0.007 0.000 2.130 442 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 442 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 442 G C 0.872 175.754 174.900 -0.029 0.000 0.999 442 G CA 0.117 45.210 45.100 -0.012 0.000 0.686 442 G HN 1.184 nan 8.290 nan 0.000 0.515 443 G N 0.300 109.095 108.800 -0.008 0.000 2.422 443 G HA2 -0.019 3.941 3.960 0.000 0.000 0.218 443 G HA3 -0.019 3.941 3.960 0.000 0.000 0.218 443 G C 1.743 176.635 174.900 -0.012 0.000 1.146 443 G CA 1.408 46.502 45.100 -0.010 0.000 0.769 443 G HN 0.472 nan 8.290 nan 0.000 0.547 444 I N 1.228 121.801 120.570 0.004 0.000 2.142 444 I HA -0.158 4.012 4.170 0.000 0.000 0.240 444 I C 2.556 178.648 176.117 -0.042 0.000 1.078 444 I CA 1.696 63.008 61.300 0.019 0.000 1.343 444 I CB -1.218 36.828 38.000 0.077 0.000 1.046 444 I HN 0.413 nan 8.210 nan 0.000 0.405 445 E N 1.226 121.319 120.200 -0.178 0.000 2.085 445 E HA -0.221 4.129 4.350 0.000 0.000 0.194 445 E C 2.266 178.748 176.600 -0.197 0.000 0.994 445 E CA 1.653 57.795 56.400 -0.430 0.000 0.801 445 E CB -0.006 29.192 29.700 -0.836 0.000 0.743 445 E HN 0.416 nan 8.360 nan 0.000 0.453 446 A N 0.999 123.744 122.820 -0.124 0.000 1.902 446 A HA -0.140 4.180 4.320 0.000 0.000 0.217 446 A C 2.242 179.802 177.584 -0.039 0.000 1.181 446 A CA 1.287 53.283 52.037 -0.069 0.000 0.623 446 A CB -0.665 18.306 19.000 -0.048 0.000 0.818 446 A HN 0.348 nan 8.150 nan 0.000 0.443 447 L N -0.638 120.569 121.223 -0.027 0.000 2.093 447 L HA -0.136 4.204 4.340 0.000 0.000 0.208 447 L C 2.519 179.390 176.870 0.002 0.000 1.085 447 L CA 0.845 55.681 54.840 -0.007 0.000 0.755 447 L CB -0.429 41.631 42.059 0.001 0.000 0.904 447 L HN 0.248 nan 8.230 nan 0.000 0.435 448 V N -0.189 119.728 119.914 0.005 0.000 2.343 448 V HA -0.279 3.841 4.120 0.000 0.000 0.247 448 V C 2.595 178.706 176.094 0.028 0.000 1.051 448 V CA 1.710 64.030 62.300 0.033 0.000 1.036 448 V CB -0.601 31.265 31.823 0.071 0.000 0.654 448 V HN 0.411 nan 8.190 nan 0.000 0.451 449 R N -0.391 120.113 120.500 0.005 0.000 2.096 449 R HA -0.148 4.192 4.340 0.000 0.000 0.235 449 R C 2.405 178.709 176.300 0.005 0.000 1.127 449 R CA 1.899 58.002 56.100 0.005 0.000 0.968 449 R CB -0.711 29.579 30.300 -0.016 0.000 0.861 449 R HN 0.503 nan 8.270 nan 0.000 0.440 450 T N 0.694 115.249 114.554 0.001 0.000 2.684 450 T HA -0.116 4.234 4.350 0.000 0.000 0.267 450 T C 1.981 176.688 174.700 0.011 0.000 1.036 450 T CA 1.440 63.542 62.100 0.004 0.000 1.148 450 T CB -0.171 68.698 68.868 0.001 0.000 0.863 450 T HN 0.005 nan 8.240 nan 0.000 0.436 451 V N 1.459 121.383 119.914 0.016 0.000 2.343 451 V HA -0.109 4.011 4.120 0.000 0.000 0.247 451 V C 2.496 178.604 176.094 0.024 0.000 1.051 451 V CA 1.419 63.733 62.300 0.022 0.000 1.036 451 V CB -0.696 31.143 31.823 0.027 0.000 0.654 451 V HN 0.435 nan 8.190 nan 0.000 0.451 452 L N -0.491 120.748 121.223 0.027 0.000 2.079 452 L HA -0.202 4.138 4.340 0.000 0.000 0.210 452 L C 2.718 179.598 176.870 0.016 0.000 1.081 452 L CA 1.737 56.593 54.840 0.026 0.000 0.752 452 L CB -0.512 41.565 42.059 0.031 0.000 0.896 452 L HN 0.274 nan 8.230 nan 0.000 0.433 453 R N -0.623 119.884 120.500 0.012 0.000 2.161 453 R HA 0.063 4.403 4.340 0.000 0.000 0.213 453 R C 2.400 178.705 176.300 0.009 0.000 1.055 453 R CA 0.801 56.905 56.100 0.007 0.000 0.996 453 R CB -0.273 30.029 30.300 0.003 0.000 0.901 453 R HN 0.277 nan 8.270 nan 0.000 0.456 454 A N 1.260 124.088 122.820 0.013 0.000 1.972 454 A HA 0.054 4.374 4.320 0.000 0.000 0.219 454 A C 1.488 179.082 177.584 0.017 0.000 1.169 454 A CA 1.529 53.575 52.037 0.016 0.000 0.635 454 A CB -0.735 18.276 19.000 0.018 0.000 0.810 454 A HN 0.473 nan 8.150 nan 0.000 0.446 455 G N 0.221 109.031 108.800 0.016 0.000 2.561 455 G HA2 -0.389 3.571 3.960 0.000 0.000 0.289 455 G HA3 -0.389 3.571 3.960 0.000 0.000 0.289 455 G C 0.171 175.082 174.900 0.020 0.000 1.169 455 G CA 0.900 46.009 45.100 0.015 0.000 0.980 455 G HN 1.049 nan 8.290 nan 0.000 0.550 456 D N 0.614 121.027 120.400 0.021 0.000 2.395 456 D HA 0.251 4.891 4.640 0.000 0.000 0.226 456 D C 0.996 177.319 176.300 0.038 0.000 1.146 456 D CA -0.142 53.875 54.000 0.029 0.000 0.830 456 D CB -0.113 40.703 40.800 0.026 0.000 0.958 456 D HN 0.576 nan 8.370 nan 0.000 0.501 457 R N 1.228 121.747 120.500 0.032 0.000 2.429 457 R HA 0.134 4.474 4.340 0.000 0.000 0.302 457 R C 0.374 176.696 176.300 0.036 0.000 1.268 457 R CA -0.021 56.099 56.100 0.033 0.000 1.090 457 R CB 0.298 30.615 30.300 0.027 0.000 1.102 457 R HN 0.330 nan 8.270 nan 0.000 0.522 458 E N 1.060 121.286 120.200 0.044 0.000 2.265 458 E HA -0.177 4.173 4.350 0.000 0.000 0.196 458 E C 0.506 177.128 176.600 0.035 0.000 0.996 458 E CA 0.788 57.216 56.400 0.046 0.000 0.832 458 E CB 0.224 29.963 29.700 0.066 0.000 0.756 458 E HN 0.476 nan 8.360 nan 0.000 0.491 459 D N 0.253 120.672 120.400 0.031 0.000 2.264 459 D HA -0.069 4.571 4.640 0.000 0.000 0.208 459 D C 1.696 178.017 176.300 0.035 0.000 0.966 459 D CA 0.802 54.821 54.000 0.033 0.000 0.864 459 D CB 0.162 40.983 40.800 0.036 0.000 0.933 459 D HN 0.253 nan 8.370 nan 0.000 0.499 460 I N 0.077 120.666 120.570 0.032 0.000 2.729 460 I HA -0.123 4.047 4.170 0.000 0.000 0.256 460 I C 2.372 178.503 176.117 0.023 0.000 1.115 460 I CA 0.919 62.236 61.300 0.027 0.000 1.446 460 I CB -0.238 37.777 38.000 0.024 0.000 1.176 460 I HN -0.021 nan 8.210 nan 0.000 0.446 461 T N -1.443 113.126 114.554 0.025 0.000 2.821 461 T HA -0.208 4.142 4.350 0.000 0.000 0.267 461 T C 1.650 176.362 174.700 0.020 0.000 1.046 461 T CA 1.402 63.516 62.100 0.023 0.000 1.139 461 T CB -0.371 68.514 68.868 0.028 0.000 0.871 461 T HN 0.368 nan 8.240 nan 0.000 0.454 462 E N 2.243 122.458 120.200 0.026 0.000 2.031 462 E HA -0.098 4.252 4.350 0.000 0.000 0.193 462 E C -0.320 176.285 176.600 0.008 0.000 0.994 462 E CA 1.272 57.686 56.400 0.024 0.000 0.800 462 E CB -0.596 29.125 29.700 0.036 0.000 0.752 462 E HN 0.452 nan 8.360 nan 0.000 0.447 463 P HA -0.077 nan 4.420 nan 0.000 0.221 463 P C 0.926 178.216 177.300 -0.016 0.000 1.150 463 P CA 1.546 64.648 63.100 0.003 0.000 0.800 463 P CB 0.089 31.803 31.700 0.023 0.000 0.787 464 A N 0.438 123.254 122.820 -0.006 0.000 1.897 464 A HA -0.098 4.222 4.320 0.000 0.000 0.215 464 A C 2.267 179.836 177.584 -0.025 0.000 1.181 464 A CA 1.132 53.163 52.037 -0.009 0.000 0.620 464 A CB -1.245 17.757 19.000 0.003 0.000 0.821 464 A HN 0.011 nan 8.150 nan 0.000 0.443 465 I N -0.111 120.446 120.570 -0.022 0.000 2.252 465 I HA -0.235 3.935 4.170 0.000 0.000 0.245 465 I C 2.562 178.629 176.117 -0.082 0.000 1.102 465 I CA 1.015 62.298 61.300 -0.027 0.000 1.385 465 I CB -1.537 36.460 38.000 -0.005 0.000 1.064 465 I HN 0.357 nan 8.210 nan 0.000 0.414 466 C N 0.878 120.105 119.300 -0.122 0.000 2.429 466 C HA -0.104 4.356 4.460 0.000 0.000 0.277 466 C C 3.173 177.858 174.990 -0.509 0.000 1.262 466 C CA 0.915 59.760 59.018 -0.289 0.000 1.733 466 C CB -1.173 26.435 27.740 -0.219 0.000 2.010 466 C HN 0.593 nan 8.230 nan 0.000 0.483 467 A N 0.401 123.069 122.820 -0.252 0.000 1.877 467 A HA -0.126 4.194 4.320 0.000 0.000 0.216 467 A C 2.102 179.642 177.584 -0.075 0.000 1.186 467 A CA 1.526 53.484 52.037 -0.131 0.000 0.620 467 A CB -0.684 18.303 19.000 -0.022 0.000 0.822 467 A HN 0.605 nan 8.150 nan 0.000 0.443 468 L N -1.034 120.157 121.223 -0.053 0.000 2.079 468 L HA -0.205 4.135 4.340 0.000 0.000 0.210 468 L C 2.816 179.693 176.870 0.011 0.000 1.081 468 L CA 1.775 56.615 54.840 -0.000 0.000 0.752 468 L CB -0.462 41.602 42.059 0.007 0.000 0.896 468 L HN 0.488 nan 8.230 nan 0.000 0.433 469 R N -0.450 120.021 120.500 -0.048 0.000 2.075 469 R HA -0.166 4.174 4.340 0.000 0.000 0.232 469 R C 2.241 178.600 176.300 0.097 0.000 1.126 469 R CA 1.645 57.745 56.100 -0.001 0.000 0.963 469 R CB -0.294 29.977 30.300 -0.048 0.000 0.858 469 R HN 0.485 nan 8.270 nan 0.000 0.435 470 H N 0.025 119.127 119.070 0.054 0.000 2.321 470 H HA -0.105 4.451 4.556 0.000 0.000 0.300 470 H C 2.142 177.512 175.328 0.070 0.000 1.087 470 H CA 1.474 57.553 56.048 0.051 0.000 1.319 470 H CB -0.012 29.764 29.762 0.024 0.000 1.379 470 H HN 0.176 nan 8.280 nan 0.000 0.501 471 L N 0.619 121.955 121.223 0.189 0.000 2.362 471 L HA -0.084 4.256 4.340 0.000 0.000 0.219 471 L C 1.689 178.749 176.870 0.317 0.000 1.134 471 L CA 1.142 56.088 54.840 0.177 0.000 0.807 471 L CB -0.197 41.931 42.059 0.116 0.000 0.927 471 L HN 0.401 nan 8.230 nan 0.000 0.447 472 T N -3.917 110.761 114.554 0.206 0.000 3.244 472 T HA 0.239 4.589 4.350 0.000 0.000 0.254 472 T C 0.351 175.126 174.700 0.126 0.000 1.024 472 T CA 0.043 62.233 62.100 0.151 0.000 0.920 472 T CB -0.158 68.765 68.868 0.090 0.000 1.042 472 T HN 0.266 nan 8.240 nan 0.000 0.572 473 S N 0.472 116.291 115.700 0.199 0.000 2.567 473 S HA 0.535 5.005 4.470 0.000 0.000 0.270 473 S C -0.487 174.243 174.600 0.218 0.000 1.152 473 S CA -1.130 57.156 58.200 0.144 0.000 0.835 473 S CB 1.302 64.570 63.200 0.113 0.000 1.115 473 S HN 0.306 nan 8.310 nan 0.000 0.459 474 R N 0.603 121.177 120.500 0.123 0.000 3.422 474 R HA -0.204 4.136 4.340 0.000 0.000 0.267 474 R C -0.637 175.794 176.300 0.218 0.000 1.074 474 R CA 1.633 57.810 56.100 0.128 0.000 0.718 474 R CB -2.965 27.406 30.300 0.119 0.000 1.157 474 R HN 1.128 nan 8.270 nan 0.000 0.440 475 H N -5.061 114.034 119.070 0.041 0.000 3.094 475 H HA 0.189 4.745 4.556 0.000 0.000 0.335 475 H C 0.422 175.771 175.328 0.034 0.000 1.254 475 H CA -0.822 55.258 56.048 0.054 0.000 1.240 475 H CB 0.672 30.507 29.762 0.122 0.000 1.936 475 H HN -0.091 nan 8.280 nan 0.000 0.536 476 Q N 0.063 119.864 119.800 0.002 0.000 2.242 476 Q HA -0.167 4.173 4.340 0.000 0.000 0.211 476 Q C 0.418 176.329 176.000 -0.148 0.000 0.992 476 Q CA 1.872 57.641 55.803 -0.057 0.000 0.889 476 Q CB 0.069 28.823 28.738 0.027 0.000 0.913 476 Q HN 0.585 nan 8.270 nan 0.000 0.422 477 E N -1.039 119.027 120.200 -0.224 0.000 2.437 477 E HA 0.153 4.503 4.350 0.000 0.000 0.195 477 E C 0.971 177.327 176.600 -0.407 0.000 1.029 477 E CA 0.170 56.462 56.400 -0.180 0.000 0.948 477 E CB 0.461 30.235 29.700 0.122 0.000 1.082 477 E HN 0.296 nan 8.360 nan 0.000 0.456 478 A N 1.035 123.378 122.820 -0.796 0.000 1.902 478 A HA -0.194 4.126 4.320 0.000 0.000 0.217 478 A C 2.047 179.540 177.584 -0.152 0.000 1.181 478 A CA 1.172 52.945 52.037 -0.440 0.000 0.623 478 A CB -0.186 18.616 19.000 -0.330 0.000 0.818 478 A HN 0.195 nan 8.150 nan 0.000 0.443 479 E N -0.834 119.283 120.200 -0.140 0.000 2.058 479 E HA -0.245 4.105 4.350 0.000 0.000 0.194 479 E C 2.093 178.663 176.600 -0.050 0.000 0.997 479 E CA 1.476 57.830 56.400 -0.077 0.000 0.801 479 E CB -0.308 29.350 29.700 -0.071 0.000 0.746 479 E HN 0.679 nan 8.360 nan 0.000 0.450 480 M N 0.988 120.561 119.600 -0.044 0.000 2.080 480 M HA -0.168 4.312 4.480 0.000 0.000 0.260 480 M C 2.244 178.557 176.300 0.020 0.000 1.068 480 M CA 2.056 57.352 55.300 -0.007 0.000 1.109 480 M CB -0.483 32.124 32.600 0.013 0.000 1.342 480 M HN 0.072 nan 8.290 nan 0.000 0.405 481 A N 0.306 123.149 122.820 0.038 0.000 1.902 481 A HA -0.229 4.091 4.320 0.000 0.000 0.217 481 A C 1.937 179.551 177.584 0.051 0.000 1.181 481 A CA 1.907 53.989 52.037 0.076 0.000 0.623 481 A CB -0.826 18.254 19.000 0.134 0.000 0.818 481 A HN 0.753 nan 8.150 nan 0.000 0.443 482 Q N -0.228 119.586 119.800 0.023 0.000 2.096 482 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 482 Q C 1.983 177.979 176.000 -0.008 0.000 0.982 482 Q CA 1.588 57.397 55.803 0.009 0.000 0.850 482 Q CB -0.228 28.505 28.738 -0.009 0.000 0.901 482 Q HN 0.632 nan 8.270 nan 0.000 0.422 483 N N 0.193 118.880 118.700 -0.021 0.000 2.142 483 N HA -0.103 4.637 4.740 0.000 0.000 0.186 483 N C 1.741 177.227 175.510 -0.040 0.000 1.023 483 N CA 1.245 54.269 53.050 -0.043 0.000 0.852 483 N CB -0.223 38.234 38.487 -0.049 0.000 0.998 483 N HN 0.236 nan 8.380 nan 0.000 0.424 484 A N 1.045 123.868 122.820 0.005 0.000 1.948 484 A HA -0.121 4.199 4.320 0.000 0.000 0.220 484 A C 2.536 180.175 177.584 0.092 0.000 1.177 484 A CA 1.378 53.449 52.037 0.056 0.000 0.636 484 A CB -0.839 18.248 19.000 0.145 0.000 0.815 484 A HN 0.119 nan 8.150 nan 0.000 0.449 485 V N -0.102 119.855 119.914 0.073 0.000 2.332 485 V HA -0.270 3.850 4.120 0.000 0.000 0.248 485 V C 2.661 178.767 176.094 0.020 0.000 1.055 485 V CA 2.358 64.703 62.300 0.075 0.000 1.038 485 V CB -0.781 31.073 31.823 0.052 0.000 0.651 485 V HN 0.679 nan 8.190 nan 0.000 0.450 486 R N -0.206 120.267 120.500 -0.045 0.000 2.066 486 R HA -0.095 4.245 4.340 0.000 0.000 0.232 486 R C 2.343 178.497 176.300 -0.243 0.000 1.131 486 R CA 1.487 57.517 56.100 -0.116 0.000 0.955 486 R CB -0.288 29.942 30.300 -0.117 0.000 0.851 486 R HN 0.440 nan 8.270 nan 0.000 0.432 487 L N 0.020 121.087 121.223 -0.260 0.000 2.043 487 L HA -0.212 4.128 4.340 0.000 0.000 0.212 487 L C 1.649 178.240 176.870 -0.466 0.000 1.075 487 L CA 1.167 55.761 54.840 -0.409 0.000 0.752 487 L CB -0.549 41.259 42.059 -0.418 0.000 0.891 487 L HN 0.360 nan 8.230 nan 0.000 0.432 488 H N -1.051 117.997 119.070 -0.036 0.000 2.592 488 H HA 0.063 4.619 4.556 0.000 0.000 0.291 488 H C -0.280 175.205 175.328 0.262 0.000 1.052 488 H CA -0.224 55.907 56.048 0.138 0.000 1.175 488 H CB -0.311 29.509 29.762 0.096 0.000 1.378 488 H HN 0.285 nan 8.280 nan 0.000 0.576 489 Y N -0.565 119.769 120.300 0.057 0.000 3.389 489 Y HA -0.247 4.303 4.550 0.000 0.000 0.213 489 Y C 1.780 177.709 175.900 0.049 0.000 1.272 489 Y CA 0.516 58.641 58.100 0.041 0.000 1.444 489 Y CB -1.710 36.772 38.460 0.037 0.000 1.445 489 Y HN 0.394 nan 8.280 nan 0.000 0.583 490 G N -0.722 108.152 108.800 0.123 0.000 2.595 490 G HA2 0.006 3.966 3.960 0.000 0.000 0.213 490 G HA3 0.006 3.966 3.960 0.000 0.000 0.213 490 G C 1.451 176.391 174.900 0.067 0.000 1.141 490 G CA 0.519 45.678 45.100 0.099 0.000 0.806 490 G HN 0.439 nan 8.290 nan 0.000 0.530 491 L N 0.832 122.080 121.223 0.042 0.000 2.013 491 L HA -0.094 4.246 4.340 0.000 0.000 0.212 491 L C 0.089 176.986 176.870 0.046 0.000 1.073 491 L CA 1.512 56.372 54.840 0.034 0.000 0.753 491 L CB -1.445 40.620 42.059 0.010 0.000 0.890 491 L HN 0.170 nan 8.230 nan 0.000 0.432 492 P HA -0.175 nan 4.420 nan 0.000 0.215 492 P C 1.992 179.323 177.300 0.052 0.000 1.157 492 P CA 1.213 64.345 63.100 0.054 0.000 0.868 492 P CB 0.033 31.772 31.700 0.066 0.000 0.788 493 V N -0.549 119.399 119.914 0.057 0.000 2.427 493 V HA -0.168 3.952 4.120 0.000 0.000 0.248 493 V C 2.173 178.298 176.094 0.052 0.000 1.051 493 V CA 1.610 63.939 62.300 0.050 0.000 1.048 493 V CB -0.877 30.976 31.823 0.049 0.000 0.666 493 V HN -0.115 nan 8.190 nan 0.000 0.456 494 V N -0.171 119.775 119.914 0.053 0.000 2.255 494 V HA -0.230 3.890 4.120 0.000 0.000 0.247 494 V C 2.495 178.624 176.094 0.058 0.000 1.051 494 V CA 2.342 64.671 62.300 0.049 0.000 1.018 494 V CB -0.440 31.409 31.823 0.044 0.000 0.641 494 V HN 0.456 nan 8.190 nan 0.000 0.445 495 V N -0.012 119.941 119.914 0.066 0.000 2.407 495 V HA -0.257 3.863 4.120 0.000 0.000 0.248 495 V C 2.501 178.692 176.094 0.162 0.000 1.055 495 V CA 2.061 64.416 62.300 0.092 0.000 1.049 495 V CB -0.733 31.142 31.823 0.087 0.000 0.662 495 V HN 0.519 nan 8.190 nan 0.000 0.455 496 K N 0.242 120.721 120.400 0.132 0.000 2.147 496 K HA -0.115 4.205 4.320 0.000 0.000 0.205 496 K C 1.938 178.644 176.600 0.178 0.000 1.049 496 K CA 1.382 57.762 56.287 0.154 0.000 0.936 496 K CB -0.248 32.280 32.500 0.046 0.000 0.722 496 K HN 0.447 nan 8.250 nan 0.000 0.446 497 L N 1.080 122.361 121.223 0.097 0.000 2.456 497 L HA -0.088 4.252 4.340 0.000 0.000 0.224 497 L C 1.973 178.852 176.870 0.016 0.000 1.148 497 L CA 0.297 55.169 54.840 0.052 0.000 0.825 497 L CB -0.167 41.914 42.059 0.036 0.000 0.937 497 L HN 0.127 nan 8.230 nan 0.000 0.450 498 L N -1.473 119.753 121.223 0.005 0.000 2.552 498 L HA -0.036 4.304 4.340 0.000 0.000 0.227 498 L C 0.516 177.204 176.870 -0.303 0.000 1.146 498 L CA 0.107 54.860 54.840 -0.145 0.000 0.858 498 L CB -0.470 41.468 42.059 -0.201 0.000 0.969 498 L HN 0.303 nan 8.230 nan 0.000 0.451 499 H N -1.677 117.348 119.070 -0.075 0.000 2.559 499 H HA 0.354 4.910 4.556 0.000 0.000 0.343 499 H C -2.184 173.064 175.328 -0.132 0.000 1.209 499 H CA -2.040 53.950 56.048 -0.096 0.000 1.287 499 H CB 0.258 29.983 29.762 -0.063 0.000 1.650 499 H HN -0.248 nan 8.280 nan 0.000 0.567 500 P HA -0.017 nan 4.420 nan 0.000 0.268 500 P C -1.828 175.436 177.300 -0.060 0.000 1.208 500 P CA -0.826 62.212 63.100 -0.102 0.000 0.777 500 P CB 0.356 32.003 31.700 -0.089 0.000 0.875 501 P HA 0.066 nan 4.420 nan 0.000 0.256 501 P C -0.529 176.604 177.300 -0.279 0.000 1.384 501 P CA 0.169 63.164 63.100 -0.176 0.000 0.879 501 P CB 0.200 31.845 31.700 -0.091 0.000 1.403 502 S N 0.724 116.306 115.700 -0.196 0.000 2.552 502 S HA 0.035 4.505 4.470 0.000 0.000 0.289 502 S C 0.297 174.689 174.600 -0.347 0.000 1.304 502 S CA 0.202 58.302 58.200 -0.166 0.000 1.063 502 S CB -0.131 63.005 63.200 -0.106 0.000 0.848 502 S HN 0.349 nan 8.310 nan 0.000 0.499 503 H N 0.238 119.231 119.070 -0.127 0.000 2.499 503 H HA 0.228 4.784 4.556 0.000 0.000 0.352 503 H C 0.550 175.807 175.328 -0.118 0.000 1.237 503 H CA -0.591 55.363 56.048 -0.157 0.000 1.343 503 H CB 0.321 30.061 29.762 -0.036 0.000 1.578 503 H HN 0.767 nan 8.280 nan 0.000 0.577 504 W N 0.595 121.971 121.300 0.127 0.000 2.304 504 W HA -0.142 4.518 4.660 -0.000 0.000 0.315 504 W C -0.710 175.847 176.519 0.063 0.000 1.233 504 W CA 0.972 58.359 57.345 0.070 0.000 1.261 504 W CB -1.420 28.076 29.460 0.061 0.000 1.150 504 W HN 0.611 nan 8.180 nan 0.000 0.494 505 P HA -0.217 nan 4.420 nan 0.000 0.215 505 P C 1.702 179.088 177.300 0.143 0.000 1.153 505 P CA 1.405 64.617 63.100 0.187 0.000 0.853 505 P CB -0.293 31.489 31.700 0.138 0.000 0.788 506 L N -0.802 120.496 121.223 0.125 0.000 2.027 506 L HA -0.087 4.253 4.340 0.000 0.000 0.206 506 L C 2.176 179.089 176.870 0.073 0.000 1.074 506 L CA 1.705 56.594 54.840 0.081 0.000 0.745 506 L CB -1.219 40.881 42.059 0.068 0.000 0.898 506 L HN -0.135 nan 8.230 nan 0.000 0.433 507 I N -0.244 120.371 120.570 0.076 0.000 2.226 507 I HA -0.326 3.844 4.170 0.000 0.000 0.245 507 I C 2.583 178.779 176.117 0.132 0.000 1.100 507 I CA 1.671 63.011 61.300 0.066 0.000 1.374 507 I CB -0.440 37.569 38.000 0.016 0.000 1.057 507 I HN 0.374 nan 8.210 nan 0.000 0.413 508 K N 1.494 122.008 120.400 0.190 0.000 2.026 508 K HA -0.204 4.116 4.320 0.000 0.000 0.208 508 K C 2.218 178.877 176.600 0.099 0.000 1.048 508 K CA 1.608 57.990 56.287 0.158 0.000 0.929 508 K CB -0.127 32.468 32.500 0.157 0.000 0.713 508 K HN 0.272 nan 8.250 nan 0.000 0.439 509 A N 0.632 123.502 122.820 0.082 0.000 1.902 509 A HA -0.136 4.184 4.320 0.000 0.000 0.217 509 A C 2.198 179.804 177.584 0.038 0.000 1.181 509 A CA 2.207 54.273 52.037 0.047 0.000 0.623 509 A CB -1.064 17.954 19.000 0.030 0.000 0.818 509 A HN 0.471 nan 8.150 nan 0.000 0.443 510 T N -0.358 114.222 114.554 0.043 0.000 2.746 510 T HA -0.110 4.240 4.350 0.000 0.000 0.267 510 T C 1.863 176.588 174.700 0.041 0.000 1.039 510 T CA 1.503 63.624 62.100 0.035 0.000 1.142 510 T CB -0.410 68.477 68.868 0.030 0.000 0.866 510 T HN 0.150 nan 8.240 nan 0.000 0.444 511 V N 1.417 121.363 119.914 0.053 0.000 2.343 511 V HA -0.126 3.994 4.120 0.000 0.000 0.247 511 V C 2.837 178.962 176.094 0.052 0.000 1.051 511 V CA 2.014 64.347 62.300 0.056 0.000 1.036 511 V CB -1.280 30.589 31.823 0.076 0.000 0.654 511 V HN 0.603 nan 8.190 nan 0.000 0.451 512 G N -0.332 108.500 108.800 0.054 0.000 2.408 512 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 512 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 512 G C 1.555 176.482 174.900 0.046 0.000 1.150 512 G CA 1.040 46.172 45.100 0.053 0.000 0.776 512 G HN 0.441 nan 8.290 nan 0.000 0.542 513 L N 0.904 122.149 121.223 0.037 0.000 2.017 513 L HA 0.082 4.422 4.340 0.000 0.000 0.208 513 L C 2.650 179.542 176.870 0.037 0.000 1.073 513 L CA 1.393 56.253 54.840 0.033 0.000 0.745 513 L CB -0.598 41.476 42.059 0.024 0.000 0.894 513 L HN 0.253 nan 8.230 nan 0.000 0.432 514 I N -0.455 120.137 120.570 0.037 0.000 2.264 514 I HA -0.297 3.873 4.170 0.000 0.000 0.248 514 I C 2.730 178.868 176.117 0.035 0.000 1.111 514 I CA 1.207 62.529 61.300 0.036 0.000 1.382 514 I CB -0.513 37.508 38.000 0.035 0.000 1.060 514 I HN 0.373 nan 8.210 nan 0.000 0.418 515 R N 1.434 121.955 120.500 0.035 0.000 2.083 515 R HA -0.190 4.150 4.340 0.000 0.000 0.237 515 R C 1.810 178.127 176.300 0.028 0.000 1.137 515 R CA 1.927 58.044 56.100 0.029 0.000 0.951 515 R CB -0.601 29.720 30.300 0.036 0.000 0.851 515 R HN 0.386 nan 8.270 nan 0.000 0.434 516 N N 0.858 119.581 118.700 0.038 0.000 2.270 516 N HA -0.080 4.660 4.740 0.000 0.000 0.181 516 N C 1.926 177.456 175.510 0.034 0.000 1.016 516 N CA 0.834 53.907 53.050 0.039 0.000 0.870 516 N CB -0.257 38.262 38.487 0.053 0.000 0.979 516 N HN 0.251 nan 8.380 nan 0.000 0.431 517 L N 0.448 121.693 121.223 0.036 0.000 2.201 517 L HA -0.027 4.313 4.340 0.000 0.000 0.212 517 L C 2.013 178.908 176.870 0.041 0.000 1.105 517 L CA 0.768 55.627 54.840 0.031 0.000 0.775 517 L CB -0.358 41.720 42.059 0.032 0.000 0.913 517 L HN 0.099 nan 8.230 nan 0.000 0.440 518 A N -0.432 122.426 122.820 0.063 0.000 2.206 518 A HA 0.021 4.341 4.320 0.000 0.000 0.211 518 A C 2.120 179.800 177.584 0.160 0.000 1.158 518 A CA 0.508 52.625 52.037 0.134 0.000 0.761 518 A CB -0.421 18.626 19.000 0.078 0.000 0.801 518 A HN 0.373 nan 8.150 nan 0.000 0.473 519 L N -1.015 120.248 121.223 0.067 0.000 2.291 519 L HA -0.067 4.273 4.340 0.000 0.000 0.214 519 L C 1.246 178.119 176.870 0.005 0.000 1.120 519 L CA 0.111 54.977 54.840 0.044 0.000 0.799 519 L CB -0.320 41.745 42.059 0.010 0.000 0.925 519 L HN 0.530 nan 8.230 nan 0.000 0.446 520 C N 1.243 120.516 119.300 -0.044 0.000 2.281 520 C HA 0.279 4.739 4.460 0.000 0.000 0.336 520 C C -0.666 174.109 174.990 -0.357 0.000 1.217 520 C CA -1.891 57.046 59.018 -0.136 0.000 1.730 520 C CB 0.489 28.172 27.740 -0.094 0.000 2.338 520 C HN 0.110 nan 8.230 nan 0.000 0.521 521 P HA -0.164 nan 4.420 nan 0.000 0.216 521 P C 1.410 178.374 177.300 -0.560 0.000 1.154 521 P CA 2.392 64.984 63.100 -0.846 0.000 0.865 521 P CB 0.088 31.582 31.700 -0.343 0.000 0.789 522 A N -1.222 121.428 122.820 -0.284 0.000 2.225 522 A HA -0.148 4.172 4.320 0.000 0.000 0.215 522 A C 1.847 179.354 177.584 -0.129 0.000 1.164 522 A CA 1.413 53.352 52.037 -0.163 0.000 0.710 522 A CB -0.961 17.968 19.000 -0.118 0.000 0.780 522 A HN 0.159 nan 8.150 nan 0.000 0.473 523 N N -1.124 117.485 118.700 -0.152 0.000 2.325 523 N HA 0.053 4.793 4.740 0.000 0.000 0.182 523 N C 1.124 176.663 175.510 0.049 0.000 1.088 523 N CA 0.376 53.398 53.050 -0.047 0.000 0.879 523 N CB -0.372 38.101 38.487 -0.023 0.000 0.983 523 N HN 0.739 nan 8.380 nan 0.000 0.471 524 H N 0.779 119.836 119.070 -0.022 0.000 2.265 524 H HA -0.108 4.448 4.556 0.000 0.000 0.295 524 H C 1.927 177.239 175.328 -0.026 0.000 1.084 524 H CA 1.545 57.581 56.048 -0.021 0.000 1.261 524 H CB 0.240 29.994 29.762 -0.013 0.000 1.360 524 H HN 0.215 nan 8.280 nan 0.000 0.487 525 A N 1.284 124.171 122.820 0.111 0.000 1.858 525 A HA -0.095 4.225 4.320 0.000 0.000 0.216 525 A C -0.092 177.498 177.584 0.011 0.000 1.190 525 A CA 1.404 53.465 52.037 0.040 0.000 0.617 525 A CB -1.274 17.749 19.000 0.038 0.000 0.827 525 A HN 0.363 nan 8.150 nan 0.000 0.443 526 P HA -0.136 nan 4.420 nan 0.000 0.218 526 P C 1.624 178.927 177.300 0.006 0.000 1.149 526 P CA 0.917 64.016 63.100 -0.002 0.000 0.817 526 P CB -0.175 31.514 31.700 -0.019 0.000 0.785 527 L N -0.559 120.675 121.223 0.019 0.000 2.046 527 L HA -0.120 4.220 4.340 0.000 0.000 0.208 527 L C 3.180 180.055 176.870 0.009 0.000 1.077 527 L CA 1.424 56.278 54.840 0.023 0.000 0.747 527 L CB -0.639 41.444 42.059 0.040 0.000 0.896 527 L HN -0.073 nan 8.230 nan 0.000 0.432 528 R N 0.645 121.140 120.500 -0.008 0.000 2.070 528 R HA -0.201 4.139 4.340 0.000 0.000 0.233 528 R C 2.015 178.293 176.300 -0.037 0.000 1.137 528 R CA 1.845 57.920 56.100 -0.043 0.000 0.945 528 R CB -0.175 30.062 30.300 -0.105 0.000 0.845 528 R HN 0.399 nan 8.270 nan 0.000 0.430 529 E N -0.054 120.128 120.200 -0.030 0.000 2.331 529 E HA -0.189 4.161 4.350 0.000 0.000 0.199 529 E C 1.707 178.306 176.600 -0.001 0.000 1.008 529 E CA 0.612 57.001 56.400 -0.018 0.000 0.843 529 E CB 0.084 29.779 29.700 -0.009 0.000 0.761 529 E HN 0.386 nan 8.360 nan 0.000 0.507 530 Q N -0.555 119.250 119.800 0.008 0.000 2.403 530 Q HA 0.057 4.397 4.340 0.000 0.000 0.203 530 Q C 1.049 177.070 176.000 0.035 0.000 0.932 530 Q CA 0.697 56.513 55.803 0.021 0.000 0.945 530 Q CB 1.005 29.762 28.738 0.031 0.000 1.045 530 Q HN 0.411 nan 8.270 nan 0.000 0.511 531 G N 0.565 109.381 108.800 0.028 0.000 2.182 531 G HA2 -0.319 3.641 3.960 0.000 0.000 0.248 531 G HA3 -0.319 3.641 3.960 0.000 0.000 0.248 531 G C 0.924 175.863 174.900 0.066 0.000 1.042 531 G CA 0.556 45.682 45.100 0.044 0.000 0.775 531 G HN 0.452 nan 8.290 nan 0.000 0.501 532 A N -0.419 122.429 122.820 0.046 0.000 1.898 532 A HA 0.209 4.529 4.320 0.000 0.000 0.216 532 A C 2.391 179.993 177.584 0.031 0.000 1.181 532 A CA 1.808 53.871 52.037 0.044 0.000 0.620 532 A CB -0.245 18.775 19.000 0.033 0.000 0.819 532 A HN 0.763 nan 8.150 nan 0.000 0.442 533 I N 0.465 121.049 120.570 0.024 0.000 2.113 533 I HA -0.151 4.019 4.170 0.000 0.000 0.238 533 I C -0.304 175.831 176.117 0.030 0.000 1.070 533 I CA 1.539 62.855 61.300 0.026 0.000 1.332 533 I CB -1.289 36.720 38.000 0.015 0.000 1.044 533 I HN 0.235 nan 8.210 nan 0.000 0.402 534 P HA -0.220 nan 4.420 nan 0.000 0.216 534 P C 1.435 178.750 177.300 0.025 0.000 1.150 534 P CA 1.692 64.809 63.100 0.028 0.000 0.843 534 P CB -0.148 31.572 31.700 0.033 0.000 0.787 535 R N 0.314 120.828 120.500 0.022 0.000 2.092 535 R HA 0.016 4.356 4.340 0.000 0.000 0.231 535 R C 2.530 178.809 176.300 -0.034 0.000 1.119 535 R CA 1.139 57.217 56.100 -0.037 0.000 0.970 535 R CB -1.639 28.581 30.300 -0.133 0.000 0.864 535 R HN 0.148 nan 8.270 nan 0.000 0.440 536 L N -0.469 120.755 121.223 0.000 0.000 2.046 536 L HA -0.140 4.200 4.340 0.000 0.000 0.208 536 L C 2.213 179.113 176.870 0.049 0.000 1.077 536 L CA 1.045 55.902 54.840 0.029 0.000 0.747 536 L CB -0.392 41.694 42.059 0.046 0.000 0.896 536 L HN 0.044 nan 8.230 nan 0.000 0.432 537 V N -0.371 119.568 119.914 0.042 0.000 2.307 537 V HA -0.333 3.787 4.120 0.000 0.000 0.245 537 V C 2.443 178.551 176.094 0.023 0.000 1.045 537 V CA 1.972 64.290 62.300 0.031 0.000 1.024 537 V CB -0.537 31.292 31.823 0.010 0.000 0.651 537 V HN 0.539 nan 8.190 nan 0.000 0.449 538 Q N -0.278 119.534 119.800 0.020 0.000 2.096 538 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 538 Q C 2.229 178.261 176.000 0.054 0.000 0.982 538 Q CA 1.869 57.688 55.803 0.025 0.000 0.850 538 Q CB -0.172 28.573 28.738 0.013 0.000 0.901 538 Q HN 0.619 nan 8.270 nan 0.000 0.422 539 L N 0.322 121.582 121.223 0.062 0.000 2.141 539 L HA -0.182 4.158 4.340 0.000 0.000 0.209 539 L C 2.437 179.394 176.870 0.146 0.000 1.094 539 L CA 0.406 55.328 54.840 0.138 0.000 0.763 539 L CB -0.427 41.717 42.059 0.141 0.000 0.908 539 L HN 0.335 nan 8.230 nan 0.000 0.437 540 L N -0.609 120.674 121.223 0.101 0.000 2.027 540 L HA -0.121 4.219 4.340 0.000 0.000 0.206 540 L C 2.379 179.306 176.870 0.095 0.000 1.074 540 L CA 1.653 56.548 54.840 0.093 0.000 0.745 540 L CB -0.468 41.639 42.059 0.080 0.000 0.898 540 L HN -0.102 nan 8.230 nan 0.000 0.433 541 V N 0.161 120.116 119.914 0.068 0.000 2.287 541 V HA -0.311 3.809 4.120 0.000 0.000 0.248 541 V C 2.839 178.989 176.094 0.095 0.000 1.053 541 V CA 2.110 64.455 62.300 0.075 0.000 1.027 541 V CB -0.759 31.084 31.823 0.033 0.000 0.646 541 V HN 0.534 nan 8.190 nan 0.000 0.447 542 R N 0.853 121.408 120.500 0.093 0.000 2.080 542 R HA -0.164 4.176 4.340 0.000 0.000 0.236 542 R C 2.188 178.538 176.300 0.084 0.000 1.137 542 R CA 2.166 58.326 56.100 0.101 0.000 0.943 542 R CB -1.004 29.390 30.300 0.156 0.000 0.846 542 R HN 0.457 nan 8.270 nan 0.000 0.431 543 A N -0.701 122.171 122.820 0.088 0.000 1.902 543 A HA -0.202 4.118 4.320 0.000 0.000 0.217 543 A C 2.141 179.749 177.584 0.040 0.000 1.181 543 A CA 1.884 53.926 52.037 0.007 0.000 0.623 543 A CB -0.984 18.002 19.000 -0.024 0.000 0.818 543 A HN 0.664 nan 8.150 nan 0.000 0.443 544 H N -0.280 118.785 119.070 -0.009 0.000 2.387 544 H HA -0.093 4.463 4.556 0.000 0.000 0.299 544 H C 2.072 177.393 175.328 -0.012 0.000 1.090 544 H CA 2.163 58.207 56.048 -0.008 0.000 1.332 544 H CB -0.226 29.536 29.762 -0.000 0.000 1.386 544 H HN 0.592 nan 8.280 nan 0.000 0.516 545 Q N -0.294 119.445 119.800 -0.102 0.000 2.084 545 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 545 Q C 1.454 177.375 176.000 -0.131 0.000 0.978 545 Q CA 1.404 57.115 55.803 -0.154 0.000 0.844 545 Q CB 0.164 28.871 28.738 -0.052 0.000 0.898 545 Q HN 0.583 nan 8.270 nan 0.000 0.426 546 D N -0.471 119.883 120.400 -0.078 0.000 2.350 546 D HA -0.096 4.544 4.640 0.000 0.000 0.216 546 D C 1.715 177.964 176.300 -0.086 0.000 0.968 546 D CA 1.449 55.406 54.000 -0.071 0.000 0.894 546 D CB -0.002 40.760 40.800 -0.064 0.000 0.909 546 D HN 0.396 nan 8.370 nan 0.000 0.520 547 T N -2.941 111.549 114.554 -0.106 0.000 3.044 547 T HA 0.055 4.405 4.350 0.000 0.000 0.250 547 T C 1.415 176.050 174.700 -0.108 0.000 1.081 547 T CA 0.085 62.135 62.100 -0.083 0.000 1.040 547 T CB 0.166 69.017 68.868 -0.029 0.000 0.962 547 T HN -0.001 nan 8.240 nan 0.000 0.506 548 Q N 0.340 120.035 119.800 -0.176 0.000 2.204 548 Q HA 0.346 4.686 4.340 0.000 0.000 0.209 548 Q C 0.197 176.134 176.000 -0.105 0.000 0.861 548 Q CA -0.182 55.524 55.803 -0.162 0.000 0.971 548 Q CB 0.683 29.263 28.738 -0.263 0.000 1.095 548 Q HN 0.484 nan 8.270 nan 0.000 0.486 565 R N 4.446 124.872 120.500 -0.123 0.000 2.368 565 R HA 0.512 4.852 4.340 0.000 0.000 0.302 565 R C 0.870 177.049 176.300 -0.202 0.000 1.002 565 R CA -0.914 55.099 56.100 -0.145 0.000 0.929 565 R CB 1.166 31.419 30.300 -0.079 0.000 1.073 565 R HN 0.618 nan 8.270 nan 0.000 0.464 566 M N 1.560 121.008 119.600 -0.254 0.000 2.346 566 M HA -0.140 4.340 4.480 0.000 0.000 0.263 566 M C 1.069 177.290 176.300 -0.132 0.000 1.064 566 M CA 1.607 56.743 55.300 -0.274 0.000 1.083 566 M CB -0.644 31.811 32.600 -0.242 0.000 1.399 566 M HN 0.541 nan 8.290 nan 0.000 0.435 567 E N 0.641 120.792 120.200 -0.082 0.000 2.118 567 E HA -0.169 4.181 4.350 0.000 0.000 0.195 567 E C 1.896 178.484 176.600 -0.020 0.000 0.992 567 E CA 1.230 57.614 56.400 -0.027 0.000 0.804 567 E CB -0.288 29.401 29.700 -0.017 0.000 0.741 567 E HN 0.603 nan 8.360 nan 0.000 0.458 568 E N -0.035 120.141 120.200 -0.041 0.000 2.107 568 E HA -0.113 4.237 4.350 0.000 0.000 0.191 568 E C 1.780 178.376 176.600 -0.006 0.000 0.982 568 E CA 0.605 56.995 56.400 -0.016 0.000 0.809 568 E CB -0.015 29.674 29.700 -0.018 0.000 0.756 568 E HN 0.199 nan 8.360 nan 0.000 0.459 569 I N 0.870 121.413 120.570 -0.044 0.000 2.353 569 I HA -0.164 4.006 4.170 0.000 0.000 0.248 569 I C 2.358 178.495 176.117 0.032 0.000 1.119 569 I CA 0.846 62.144 61.300 -0.005 0.000 1.417 569 I CB -0.823 37.121 38.000 -0.094 0.000 1.078 569 I HN 0.000 nan 8.210 nan 0.000 0.421 570 V N 0.817 120.743 119.914 0.020 0.000 2.358 570 V HA -0.257 3.863 4.120 0.000 0.000 0.246 570 V C 2.585 178.709 176.094 0.051 0.000 1.047 570 V CA 1.878 64.209 62.300 0.051 0.000 1.035 570 V CB -0.524 31.337 31.823 0.063 0.000 0.658 570 V HN 0.440 nan 8.190 nan 0.000 0.452 571 E N 0.085 120.308 120.200 0.037 0.000 2.047 571 E HA -0.165 4.185 4.350 0.000 0.000 0.191 571 E C 2.268 178.894 176.600 0.043 0.000 0.987 571 E CA 1.370 57.791 56.400 0.035 0.000 0.799 571 E CB -0.424 29.294 29.700 0.030 0.000 0.752 571 E HN 0.566 nan 8.360 nan 0.000 0.449 572 G N 0.650 109.480 108.800 0.050 0.000 2.433 572 G HA2 -0.299 3.661 3.960 0.000 0.000 0.216 572 G HA3 -0.299 3.661 3.960 0.000 0.000 0.216 572 G C 1.779 176.718 174.900 0.065 0.000 1.186 572 G CA 1.025 46.161 45.100 0.059 0.000 0.779 572 G HN 0.403 nan 8.290 nan 0.000 0.543 573 C N 0.569 119.915 119.300 0.076 0.000 2.413 573 C HA -0.025 4.435 4.460 0.000 0.000 0.276 573 C C 3.254 178.299 174.990 0.091 0.000 1.248 573 C CA 1.558 60.627 59.018 0.086 0.000 1.742 573 C CB -1.086 26.715 27.740 0.101 0.000 2.017 573 C HN 0.445 nan 8.230 nan 0.000 0.481 574 T N 0.358 114.966 114.554 0.090 0.000 2.867 574 T HA -0.026 4.324 4.350 0.000 0.000 0.268 574 T C 1.971 176.670 174.700 -0.002 0.000 1.057 574 T CA 1.623 63.762 62.100 0.065 0.000 1.136 574 T CB -0.478 68.418 68.868 0.048 0.000 0.874 574 T HN 0.701 nan 8.240 nan 0.000 0.466 575 G N 1.038 109.855 108.800 0.029 0.000 2.408 575 G HA2 0.018 3.978 3.960 0.000 0.000 0.217 575 G HA3 0.018 3.978 3.960 0.000 0.000 0.217 575 G C 1.812 176.743 174.900 0.050 0.000 1.150 575 G CA 0.788 45.923 45.100 0.058 0.000 0.776 575 G HN 0.557 nan 8.290 nan 0.000 0.542 576 A N 0.739 123.582 122.820 0.039 0.000 1.877 576 A HA 0.092 4.412 4.320 0.000 0.000 0.216 576 A C 2.422 180.010 177.584 0.007 0.000 1.186 576 A CA 1.236 53.287 52.037 0.024 0.000 0.620 576 A CB -0.461 18.562 19.000 0.037 0.000 0.822 576 A HN 0.338 nan 8.150 nan 0.000 0.443 577 L N -1.309 119.928 121.223 0.023 0.000 2.083 577 L HA -0.235 4.105 4.340 0.000 0.000 0.209 577 L C 2.636 179.483 176.870 -0.038 0.000 1.083 577 L CA 1.728 56.574 54.840 0.010 0.000 0.752 577 L CB -0.786 41.320 42.059 0.077 0.000 0.899 577 L HN 0.681 nan 8.230 nan 0.000 0.433 578 H N 0.301 119.262 119.070 -0.182 0.000 2.352 578 H HA -0.193 4.363 4.556 0.000 0.000 0.299 578 H C 2.229 177.457 175.328 -0.166 0.000 1.097 578 H CA 1.588 57.497 56.048 -0.233 0.000 1.311 578 H CB 0.377 29.990 29.762 -0.248 0.000 1.377 578 H HN 0.176 nan 8.280 nan 0.000 0.504 579 I N 0.959 121.391 120.570 -0.230 0.000 2.333 579 I HA -0.201 3.969 4.170 0.000 0.000 0.246 579 I C 2.690 178.679 176.117 -0.214 0.000 1.106 579 I CA 0.659 61.801 61.300 -0.264 0.000 1.411 579 I CB -1.038 36.872 38.000 -0.150 0.000 1.082 579 I HN 0.346 nan 8.210 nan 0.000 0.420 580 L N 0.997 122.124 121.223 -0.160 0.000 2.131 580 L HA -0.140 4.200 4.340 0.000 0.000 0.210 580 L C 2.518 179.236 176.870 -0.253 0.000 1.092 580 L CA 1.147 55.864 54.840 -0.205 0.000 0.759 580 L CB -0.591 41.412 42.059 -0.093 0.000 0.903 580 L HN 0.177 nan 8.230 nan 0.000 0.435 581 A N -0.141 122.581 122.820 -0.163 0.000 2.259 581 A HA -0.139 4.181 4.320 0.000 0.000 0.212 581 A C 2.142 179.642 177.584 -0.141 0.000 1.178 581 A CA 0.812 52.777 52.037 -0.119 0.000 0.734 581 A CB -0.562 18.394 19.000 -0.074 0.000 0.774 581 A HN 0.378 nan 8.150 nan 0.000 0.481 582 R N -0.339 120.023 120.500 -0.229 0.000 2.280 582 R HA -0.031 4.309 4.340 0.000 0.000 0.207 582 R C -0.124 176.093 176.300 -0.138 0.000 1.043 582 R CA 0.802 56.803 56.100 -0.165 0.000 1.006 582 R CB -0.163 30.051 30.300 -0.143 0.000 0.885 582 R HN 0.611 nan 8.270 nan 0.000 0.467 583 D N -0.361 119.902 120.400 -0.229 0.000 2.233 583 D HA 0.035 4.675 4.640 0.000 0.000 0.240 583 D C 0.981 177.276 176.300 -0.008 0.000 1.074 583 D CA -0.274 53.677 54.000 -0.082 0.000 0.838 583 D CB 1.871 42.604 40.800 -0.110 0.000 1.124 583 D HN -0.253 nan 8.370 nan 0.000 0.475 584 V N 4.558 124.496 119.914 0.039 0.000 2.380 584 V HA -0.253 3.867 4.120 0.000 0.000 0.251 584 V C 1.702 177.856 176.094 0.099 0.000 1.063 584 V CA 2.236 64.566 62.300 0.049 0.000 1.055 584 V CB -0.662 31.183 31.823 0.037 0.000 0.657 584 V HN 0.826 nan 8.190 nan 0.000 0.455 585 H N -0.827 118.244 119.070 0.001 0.000 2.395 585 H HA -0.092 4.464 4.556 0.000 0.000 0.299 585 H C 2.236 177.563 175.328 -0.001 0.000 1.070 585 H CA 1.178 57.229 56.048 0.005 0.000 1.356 585 H CB 0.277 30.047 29.762 0.014 0.000 1.401 585 H HN 0.434 nan 8.280 nan 0.000 0.524 586 N N 0.732 119.473 118.700 0.069 0.000 2.166 586 N HA -0.123 4.617 4.740 0.000 0.000 0.186 586 N C 1.894 177.415 175.510 0.019 0.000 1.019 586 N CA 0.894 53.932 53.050 -0.020 0.000 0.856 586 N CB -0.231 38.209 38.487 -0.078 0.000 0.993 586 N HN 0.405 nan 8.380 nan 0.000 0.426 587 R N 0.528 121.048 120.500 0.032 0.000 2.091 587 R HA -0.009 4.331 4.340 0.000 0.000 0.238 587 R C 2.236 178.574 176.300 0.064 0.000 1.136 587 R CA 0.946 57.069 56.100 0.040 0.000 0.959 587 R CB -0.395 29.923 30.300 0.030 0.000 0.856 587 R HN 0.250 nan 8.270 nan 0.000 0.437 588 I N 0.295 120.919 120.570 0.089 0.000 2.151 588 I HA -0.313 3.857 4.170 0.000 0.000 0.243 588 I C 2.246 178.413 176.117 0.083 0.000 1.080 588 I CA 1.390 62.747 61.300 0.096 0.000 1.339 588 I CB -0.320 37.769 38.000 0.148 0.000 1.039 588 I HN 0.016 nan 8.210 nan 0.000 0.409 589 V N 1.063 121.024 119.914 0.079 0.000 2.295 589 V HA -0.284 3.836 4.120 0.000 0.000 0.246 589 V C 2.292 178.412 176.094 0.043 0.000 1.049 589 V CA 1.878 64.204 62.300 0.043 0.000 1.024 589 V CB -0.432 31.390 31.823 -0.003 0.000 0.648 589 V HN 0.321 nan 8.190 nan 0.000 0.447 590 I N -0.289 120.315 120.570 0.056 0.000 2.127 590 I HA -0.283 3.888 4.170 0.000 0.000 0.241 590 I C 2.809 178.975 176.117 0.081 0.000 1.075 590 I CA 1.811 63.164 61.300 0.088 0.000 1.334 590 I CB -0.457 37.620 38.000 0.128 0.000 1.040 590 I HN 0.237 nan 8.210 nan 0.000 0.405 591 R N 0.618 121.165 120.500 0.077 0.000 2.083 591 R HA -0.123 4.217 4.340 0.000 0.000 0.237 591 R C 2.391 178.708 176.300 0.029 0.000 1.137 591 R CA 1.488 57.622 56.100 0.057 0.000 0.951 591 R CB -0.963 29.369 30.300 0.054 0.000 0.851 591 R HN 0.460 nan 8.270 nan 0.000 0.434 592 G N 1.180 109.999 108.800 0.032 0.000 2.516 592 G HA2 -0.200 3.760 3.960 0.000 0.000 0.221 592 G HA3 -0.200 3.760 3.960 0.000 0.000 0.221 592 G C 1.165 176.070 174.900 0.008 0.000 1.107 592 G CA 0.505 45.618 45.100 0.022 0.000 0.747 592 G HN 0.186 nan 8.290 nan 0.000 0.567 593 L N -0.036 121.188 121.223 0.002 0.000 2.653 593 L HA 0.235 4.575 4.340 0.000 0.000 0.232 593 L C 0.824 177.667 176.870 -0.045 0.000 1.169 593 L CA -0.351 54.479 54.840 -0.016 0.000 0.951 593 L CB -0.417 41.634 42.059 -0.013 0.000 1.181 593 L HN 0.191 nan 8.230 nan 0.000 0.460 594 N N 0.789 119.465 118.700 -0.040 0.000 2.667 594 N HA -0.214 4.526 4.740 0.000 0.000 0.263 594 N C 0.878 176.312 175.510 -0.128 0.000 1.038 594 N CA 0.926 53.941 53.050 -0.059 0.000 0.749 594 N CB -0.422 38.038 38.487 -0.044 0.000 0.892 594 N HN 0.499 nan 8.380 nan 0.000 0.546 595 T N -2.904 111.540 114.554 -0.182 0.000 3.014 595 T HA 0.230 4.580 4.350 0.000 0.000 0.250 595 T C 1.975 176.373 174.700 -0.504 0.000 1.060 595 T CA 0.380 62.201 62.100 -0.464 0.000 1.040 595 T CB -0.061 68.451 68.868 -0.593 0.000 0.971 595 T HN 0.341 nan 8.240 nan 0.000 0.497 596 I N 2.109 122.599 120.570 -0.134 0.000 2.208 596 I HA -0.078 4.092 4.170 0.000 0.000 0.245 596 I C -0.664 175.443 176.117 -0.017 0.000 1.097 596 I CA 1.306 62.622 61.300 0.027 0.000 1.363 596 I CB -1.146 36.893 38.000 0.065 0.000 1.051 596 I HN 0.213 nan 8.210 nan 0.000 0.413 597 P HA -0.187 nan 4.420 nan 0.000 0.216 597 P C 2.030 179.295 177.300 -0.059 0.000 1.153 597 P CA 1.370 64.448 63.100 -0.036 0.000 0.848 597 P CB 0.037 31.712 31.700 -0.042 0.000 0.787 598 L N -2.081 119.038 121.223 -0.173 0.000 2.046 598 L HA -0.169 4.171 4.340 0.000 0.000 0.208 598 L C 2.074 178.857 176.870 -0.145 0.000 1.077 598 L CA 1.677 56.386 54.840 -0.218 0.000 0.747 598 L CB -0.555 41.293 42.059 -0.353 0.000 0.896 598 L HN -0.120 nan 8.230 nan 0.000 0.432 599 F N -0.662 119.250 119.950 -0.062 0.000 2.171 599 F HA -0.176 4.351 4.527 0.000 0.000 0.300 599 F C 2.423 178.202 175.800 -0.035 0.000 1.090 599 F CA 1.089 59.049 58.000 -0.066 0.000 1.293 599 F CB -1.243 37.722 39.000 -0.059 0.000 1.013 599 F HN -0.123 nan 8.300 nan 0.000 0.486 600 V N -0.351 119.668 119.914 0.174 0.000 2.427 600 V HA -0.278 3.842 4.120 0.000 0.000 0.248 600 V C 2.278 178.503 176.094 0.218 0.000 1.051 600 V CA 1.693 64.084 62.300 0.152 0.000 1.048 600 V CB -0.696 31.207 31.823 0.133 0.000 0.666 600 V HN 0.349 nan 8.190 nan 0.000 0.456 601 Q N -0.444 119.459 119.800 0.172 0.000 2.124 601 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 601 Q C 2.246 178.389 176.000 0.237 0.000 0.977 601 Q CA 1.399 57.330 55.803 0.214 0.000 0.850 601 Q CB -0.226 28.562 28.738 0.084 0.000 0.901 601 Q HN 0.554 nan 8.270 nan 0.000 0.429 602 L N 0.446 121.723 121.223 0.090 0.000 2.265 602 L HA -0.167 4.173 4.340 0.000 0.000 0.215 602 L C 2.057 178.973 176.870 0.076 0.000 1.117 602 L CA 0.558 55.431 54.840 0.055 0.000 0.782 602 L CB -0.384 41.687 42.059 0.021 0.000 0.914 602 L HN 0.290 nan 8.230 nan 0.000 0.441 603 L N -1.388 119.873 121.223 0.064 0.000 2.353 603 L HA -0.219 4.121 4.340 0.000 0.000 0.220 603 L C 1.810 178.573 176.870 -0.179 0.000 1.133 603 L CA 1.160 55.951 54.840 -0.083 0.000 0.798 603 L CB -0.394 41.564 42.059 -0.168 0.000 0.922 603 L HN 0.278 nan 8.230 nan 0.000 0.445 604 Y N -1.298 119.018 120.300 0.026 0.000 2.482 604 Y HA 0.107 4.657 4.550 0.000 0.000 0.270 604 Y C 1.742 177.664 175.900 0.037 0.000 1.152 604 Y CA -0.261 57.859 58.100 0.033 0.000 1.292 604 Y CB 0.064 38.547 38.460 0.038 0.000 1.070 604 Y HN -0.029 nan 8.280 nan 0.000 0.528 605 S N 2.583 118.376 115.700 0.155 0.000 2.558 605 S HA -0.011 4.459 4.470 0.000 0.000 0.288 605 S C -1.127 173.519 174.600 0.077 0.000 1.318 605 S CA -1.046 57.222 58.200 0.114 0.000 1.056 605 S CB 0.678 63.928 63.200 0.084 0.000 0.853 605 S HN 0.161 nan 8.310 nan 0.000 0.505 606 P HA 0.122 nan 4.420 nan 0.000 0.236 606 P C -0.030 177.291 177.300 0.036 0.000 1.177 606 P CA 0.517 63.647 63.100 0.050 0.000 0.773 606 P CB -0.054 31.674 31.700 0.046 0.000 0.878 607 I N 0.864 121.455 120.570 0.036 0.000 2.312 607 I HA 0.127 4.297 4.170 0.000 0.000 0.291 607 I C 1.631 177.762 176.117 0.023 0.000 1.031 607 I CA -0.385 60.931 61.300 0.028 0.000 1.293 607 I CB 0.811 38.828 38.000 0.028 0.000 1.403 607 I HN -0.176 nan 8.210 nan 0.000 0.484 608 E N 3.877 124.089 120.200 0.019 0.000 2.070 608 E HA -0.237 4.113 4.350 0.000 0.000 0.197 608 E C 1.403 178.014 176.600 0.019 0.000 1.004 608 E CA 1.424 57.834 56.400 0.016 0.000 0.805 608 E CB 0.038 29.748 29.700 0.016 0.000 0.744 608 E HN 0.628 nan 8.360 nan 0.000 0.451 609 N N 0.651 119.364 118.700 0.022 0.000 2.166 609 N HA -0.135 4.605 4.740 0.000 0.000 0.186 609 N C 1.867 177.386 175.510 0.016 0.000 1.019 609 N CA 0.920 53.986 53.050 0.026 0.000 0.856 609 N CB -0.174 38.331 38.487 0.029 0.000 0.993 609 N HN 0.230 nan 8.380 nan 0.000 0.426 610 I N 1.245 121.824 120.570 0.015 0.000 2.315 610 I HA -0.233 3.937 4.170 0.000 0.000 0.248 610 I C 2.062 178.172 176.117 -0.011 0.000 1.117 610 I CA 0.915 62.220 61.300 0.008 0.000 1.404 610 I CB -0.191 37.823 38.000 0.024 0.000 1.071 610 I HN 0.139 nan 8.210 nan 0.000 0.419 611 Q N 0.177 119.974 119.800 -0.005 0.000 2.170 611 Q HA -0.215 4.125 4.340 0.000 0.000 0.203 611 Q C 2.273 178.255 176.000 -0.031 0.000 0.976 611 Q CA 1.190 56.981 55.803 -0.020 0.000 0.858 611 Q CB -0.176 28.553 28.738 -0.014 0.000 0.907 611 Q HN 0.410 nan 8.270 nan 0.000 0.433 612 R N 0.645 121.141 120.500 -0.007 0.000 2.061 612 R HA -0.140 4.200 4.340 0.000 0.000 0.230 612 R C 2.312 178.535 176.300 -0.127 0.000 1.140 612 R CA 1.780 57.897 56.100 0.028 0.000 0.940 612 R CB -0.235 30.113 30.300 0.079 0.000 0.839 612 R HN 0.299 nan 8.270 nan 0.000 0.429 613 V N -1.487 118.331 119.914 -0.160 0.000 2.626 613 V HA -0.009 4.111 4.120 0.000 0.000 0.252 613 V C 2.243 178.073 176.094 -0.439 0.000 1.067 613 V CA 1.558 63.662 62.300 -0.328 0.000 1.081 613 V CB -0.943 30.799 31.823 -0.135 0.000 0.686 613 V HN 0.390 nan 8.190 nan 0.000 0.468 614 A N 0.913 123.570 122.820 -0.271 0.000 1.898 614 A HA 0.153 4.473 4.320 0.000 0.000 0.216 614 A C 2.450 179.850 177.584 -0.308 0.000 1.181 614 A CA 2.069 53.954 52.037 -0.254 0.000 0.620 614 A CB -0.994 17.958 19.000 -0.081 0.000 0.819 614 A HN 0.892 nan 8.150 nan 0.000 0.442 615 A N -0.638 122.031 122.820 -0.253 0.000 2.014 615 A HA 0.234 4.554 4.320 0.000 0.000 0.218 615 A C 2.272 179.596 177.584 -0.432 0.000 1.163 615 A CA 1.642 53.555 52.037 -0.206 0.000 0.652 615 A CB -1.061 17.917 19.000 -0.037 0.000 0.808 615 A HN 0.630 nan 8.150 nan 0.000 0.449 616 G N -0.784 107.481 108.800 -0.891 0.000 2.404 616 G HA2 -0.089 3.871 3.960 0.000 0.000 0.214 616 G HA3 -0.089 3.871 3.960 0.000 0.000 0.214 616 G C 1.602 175.923 174.900 -0.965 0.000 1.189 616 G CA 1.061 45.182 45.100 -1.631 0.000 0.789 616 G HN 0.420 nan 8.290 nan 0.000 0.533 617 V N 0.791 120.211 119.914 -0.823 0.000 2.407 617 V HA -0.058 4.062 4.120 0.000 0.000 0.248 617 V C 2.872 178.752 176.094 -0.358 0.000 1.055 617 V CA 1.620 63.638 62.300 -0.470 0.000 1.049 617 V CB -0.267 31.108 31.823 -0.747 0.000 0.662 617 V HN 0.396 nan 8.190 nan 0.000 0.455 618 L N -0.585 120.425 121.223 -0.354 0.000 2.131 618 L HA -0.210 4.130 4.340 0.000 0.000 0.210 618 L C 2.746 179.553 176.870 -0.104 0.000 1.092 618 L CA 1.755 56.498 54.840 -0.162 0.000 0.759 618 L CB -0.757 41.242 42.059 -0.100 0.000 0.903 618 L HN 0.583 nan 8.230 nan 0.000 0.435 619 C N 0.136 119.353 119.300 -0.139 0.000 2.453 619 C HA -0.124 4.336 4.460 0.000 0.000 0.277 619 C C 2.793 177.773 174.990 -0.017 0.000 1.262 619 C CA 0.756 59.748 59.018 -0.044 0.000 1.718 619 C CB -0.535 27.194 27.740 -0.018 0.000 2.031 619 C HN 0.476 nan 8.230 nan 0.000 0.480 620 E N 0.780 120.956 120.200 -0.041 0.000 2.051 620 E HA -0.139 4.211 4.350 0.000 0.000 0.192 620 E C 2.177 178.770 176.600 -0.012 0.000 0.991 620 E CA 1.294 57.688 56.400 -0.010 0.000 0.799 620 E CB -0.620 29.073 29.700 -0.012 0.000 0.748 620 E HN 0.697 nan 8.360 nan 0.000 0.449 621 L N 0.398 121.606 121.223 -0.026 0.000 2.093 621 L HA -0.096 4.244 4.340 0.000 0.000 0.208 621 L C 2.378 179.251 176.870 0.005 0.000 1.085 621 L CA 0.960 55.799 54.840 -0.002 0.000 0.755 621 L CB -0.497 41.570 42.059 0.014 0.000 0.904 621 L HN 0.033 nan 8.230 nan 0.000 0.435 622 A N 0.292 123.112 122.820 -0.000 0.000 2.225 622 A HA -0.190 4.130 4.320 0.000 0.000 0.215 622 A C 2.164 179.745 177.584 -0.005 0.000 1.164 622 A CA 1.128 53.165 52.037 -0.001 0.000 0.710 622 A CB -0.512 18.489 19.000 0.001 0.000 0.780 622 A HN 0.679 nan 8.150 nan 0.000 0.473 623 Q N -0.386 119.416 119.800 0.004 0.000 2.435 623 Q HA -0.014 4.326 4.340 0.000 0.000 0.207 623 Q C -0.852 175.146 176.000 -0.004 0.000 0.956 623 Q CA 0.537 56.342 55.803 0.004 0.000 0.917 623 Q CB -0.091 28.659 28.738 0.019 0.000 0.997 623 Q HN 0.455 nan 8.270 nan 0.000 0.497 624 D N 1.006 121.404 120.400 -0.003 0.000 2.256 624 D HA 0.196 4.836 4.640 0.000 0.000 0.240 624 D C 0.889 177.184 176.300 -0.009 0.000 1.062 624 D CA 0.349 54.347 54.000 -0.004 0.000 0.832 624 D CB 1.853 42.655 40.800 0.004 0.000 1.135 624 D HN 0.162 nan 8.370 nan 0.000 0.484 625 K N 2.674 123.065 120.400 -0.014 0.000 2.030 625 K HA -0.320 4.000 4.320 0.000 0.000 0.222 625 K C 1.749 178.342 176.600 -0.011 0.000 1.056 625 K CA 2.439 58.715 56.287 -0.018 0.000 0.957 625 K CB -1.286 31.204 32.500 -0.018 0.000 0.727 625 K HN 0.688 nan 8.250 nan 0.000 0.452 626 E N -0.374 119.823 120.200 -0.005 0.000 2.086 626 E HA -0.179 4.171 4.350 0.000 0.000 0.200 626 E C 2.311 178.914 176.600 0.005 0.000 1.012 626 E CA 1.525 57.925 56.400 0.000 0.000 0.812 626 E CB -0.325 29.377 29.700 0.003 0.000 0.743 626 E HN 0.595 nan 8.360 nan 0.000 0.453 627 A N 1.093 123.918 122.820 0.009 0.000 1.858 627 A HA -0.117 4.204 4.320 0.000 0.000 0.216 627 A C 2.464 180.055 177.584 0.012 0.000 1.190 627 A CA 2.058 54.106 52.037 0.017 0.000 0.617 627 A CB -1.102 17.911 19.000 0.022 0.000 0.827 627 A HN 0.451 nan 8.150 nan 0.000 0.443 628 A N -0.011 122.809 122.820 0.000 0.000 1.873 628 A HA -0.271 4.049 4.320 0.000 0.000 0.218 628 A C 1.891 179.472 177.584 -0.004 0.000 1.193 628 A CA 1.960 53.993 52.037 -0.008 0.000 0.629 628 A CB -0.821 18.162 19.000 -0.027 0.000 0.826 628 A HN 0.655 nan 8.150 nan 0.000 0.447 629 E N -0.523 119.673 120.200 -0.007 0.000 2.160 629 E HA -0.136 4.214 4.350 0.000 0.000 0.195 629 E C 2.190 178.792 176.600 0.005 0.000 0.991 629 E CA 0.949 57.346 56.400 -0.004 0.000 0.810 629 E CB -0.281 29.415 29.700 -0.006 0.000 0.742 629 E HN 0.660 nan 8.360 nan 0.000 0.466 630 A N 0.828 123.654 122.820 0.010 0.000 1.970 630 A HA -0.082 4.238 4.320 0.000 0.000 0.216 630 A C 2.107 179.705 177.584 0.023 0.000 1.170 630 A CA 0.643 52.690 52.037 0.016 0.000 0.645 630 A CB -0.309 18.703 19.000 0.020 0.000 0.816 630 A HN 0.111 nan 8.150 nan 0.000 0.447 631 I N -0.555 120.030 120.570 0.026 0.000 2.252 631 I HA -0.204 3.966 4.170 0.000 0.000 0.245 631 I C 2.640 178.773 176.117 0.028 0.000 1.102 631 I CA 1.461 62.781 61.300 0.033 0.000 1.385 631 I CB -0.213 37.803 38.000 0.028 0.000 1.064 631 I HN 0.388 nan 8.210 nan 0.000 0.414 632 E N 1.733 121.943 120.200 0.017 0.000 2.031 632 E HA -0.244 4.106 4.350 0.000 0.000 0.193 632 E C 2.183 178.795 176.600 0.020 0.000 0.994 632 E CA 1.746 58.154 56.400 0.015 0.000 0.800 632 E CB -0.093 29.610 29.700 0.005 0.000 0.752 632 E HN 0.430 nan 8.360 nan 0.000 0.447 633 A N 1.048 123.878 122.820 0.017 0.000 2.186 633 A HA -0.143 4.177 4.320 0.000 0.000 0.219 633 A C 1.828 179.425 177.584 0.022 0.000 1.159 633 A CA 1.211 53.258 52.037 0.016 0.000 0.680 633 A CB -0.277 18.730 19.000 0.012 0.000 0.787 633 A HN 0.150 nan 8.150 nan 0.000 0.467 634 E N -1.498 118.720 120.200 0.030 0.000 2.385 634 E HA 0.138 4.488 4.350 0.000 0.000 0.194 634 E C 1.350 177.982 176.600 0.053 0.000 1.013 634 E CA 0.805 57.228 56.400 0.039 0.000 0.866 634 E CB -0.071 29.659 29.700 0.049 0.000 0.832 634 E HN 0.801 nan 8.360 nan 0.000 0.500 635 G N 0.652 109.482 108.800 0.051 0.000 2.131 635 G HA2 -0.313 3.647 3.960 0.000 0.000 0.223 635 G HA3 -0.313 3.647 3.960 0.000 0.000 0.223 635 G C 1.172 176.119 174.900 0.079 0.000 0.990 635 G CA 0.744 45.881 45.100 0.061 0.000 0.671 635 G HN 0.402 nan 8.290 nan 0.000 0.521 636 A N -0.210 122.651 122.820 0.067 0.000 1.986 636 A HA 0.021 4.341 4.320 0.000 0.000 0.220 636 A C 2.522 180.123 177.584 0.028 0.000 1.171 636 A CA 2.908 54.979 52.037 0.056 0.000 0.640 636 A CB -0.934 18.090 19.000 0.041 0.000 0.811 636 A HN 1.026 nan 8.150 nan 0.000 0.451 637 T N 0.444 115.014 114.554 0.028 0.000 2.680 637 T HA -0.228 4.122 4.350 0.000 0.000 0.268 637 T C 2.140 176.848 174.700 0.013 0.000 1.033 637 T CA 2.082 64.193 62.100 0.017 0.000 1.152 637 T CB -0.573 68.307 68.868 0.021 0.000 0.859 637 T HN 0.703 nan 8.240 nan 0.000 0.452 638 A N 2.255 125.095 122.820 0.033 0.000 1.835 638 A HA -0.036 4.284 4.320 0.000 0.000 0.215 638 A C 0.548 178.126 177.584 -0.010 0.000 1.199 638 A CA 1.465 53.524 52.037 0.036 0.000 0.615 638 A CB -1.582 17.468 19.000 0.084 0.000 0.838 638 A HN 0.446 nan 8.150 nan 0.000 0.444 639 P HA -0.115 nan 4.420 nan 0.000 0.218 639 P C 1.587 178.786 177.300 -0.167 0.000 1.149 639 P CA 0.942 63.893 63.100 -0.248 0.000 0.817 639 P CB -0.169 31.151 31.700 -0.633 0.000 0.785 640 L N 0.052 121.214 121.223 -0.102 0.000 2.027 640 L HA -0.132 4.208 4.340 0.000 0.000 0.206 640 L C 2.845 179.668 176.870 -0.078 0.000 1.074 640 L CA 2.481 57.276 54.840 -0.076 0.000 0.745 640 L CB -1.820 40.215 42.059 -0.039 0.000 0.898 640 L HN 0.093 nan 8.230 nan 0.000 0.433 641 T N -2.670 111.847 114.554 -0.061 0.000 2.759 641 T HA -0.256 4.094 4.350 0.000 0.000 0.269 641 T C 1.636 176.267 174.700 -0.114 0.000 1.042 641 T CA 1.475 63.529 62.100 -0.076 0.000 1.140 641 T CB -0.320 68.532 68.868 -0.026 0.000 0.864 641 T HN 0.236 nan 8.240 nan 0.000 0.455 642 E N 1.692 121.861 120.200 -0.052 0.000 2.051 642 E HA -0.033 4.317 4.350 0.000 0.000 0.192 642 E C 1.991 178.568 176.600 -0.038 0.000 0.991 642 E CA 1.013 57.418 56.400 0.008 0.000 0.799 642 E CB -0.773 28.923 29.700 -0.007 0.000 0.748 642 E HN 0.589 nan 8.360 nan 0.000 0.449 643 L N 0.460 121.632 121.223 -0.085 0.000 2.450 643 L HA -0.085 4.255 4.340 0.000 0.000 0.224 643 L C 2.198 179.002 176.870 -0.110 0.000 1.149 643 L CA 0.315 55.109 54.840 -0.077 0.000 0.816 643 L CB -0.338 41.674 42.059 -0.078 0.000 0.932 643 L HN 0.244 nan 8.230 nan 0.000 0.449 644 L N -0.742 120.354 121.223 -0.212 0.000 2.353 644 L HA -0.201 4.139 4.340 0.000 0.000 0.220 644 L C 2.065 178.746 176.870 -0.315 0.000 1.133 644 L CA 0.731 55.398 54.840 -0.287 0.000 0.798 644 L CB -0.491 41.334 42.059 -0.390 0.000 0.922 644 L HN 0.440 nan 8.230 nan 0.000 0.445 645 H N -1.872 117.185 119.070 -0.022 0.000 2.551 645 H HA 0.169 4.725 4.556 0.000 0.000 0.271 645 H C 1.163 176.479 175.328 -0.020 0.000 0.984 645 H CA -0.103 55.934 56.048 -0.019 0.000 1.164 645 H CB 0.297 30.049 29.762 -0.015 0.000 1.437 645 H HN 0.099 nan 8.280 nan 0.000 0.550 646 S N 0.912 116.639 115.700 0.046 0.000 2.558 646 S HA -0.042 4.428 4.470 0.000 0.000 0.291 646 S C 1.461 176.072 174.600 0.018 0.000 1.306 646 S CA -0.289 57.925 58.200 0.024 0.000 1.056 646 S CB 0.731 63.928 63.200 -0.005 0.000 0.836 646 S HN 0.419 nan 8.310 nan 0.000 0.504 647 R N 2.154 122.663 120.500 0.016 0.000 2.236 647 R HA 0.064 4.404 4.340 0.000 0.000 0.208 647 R C 0.586 176.885 176.300 -0.003 0.000 1.036 647 R CA 0.277 56.382 56.100 0.008 0.000 1.001 647 R CB -0.121 30.184 30.300 0.009 0.000 0.896 647 R HN 0.512 nan 8.270 nan 0.000 0.464 648 N N 1.477 120.174 118.700 -0.006 0.000 2.408 648 N HA -0.036 4.704 4.740 0.000 0.000 0.257 648 N C 0.020 175.509 175.510 -0.034 0.000 1.064 648 N CA 0.116 53.158 53.050 -0.013 0.000 0.952 648 N CB 1.326 39.810 38.487 -0.003 0.000 1.093 648 N HN 0.001 nan 8.380 nan 0.000 0.490 649 E N 2.652 122.824 120.200 -0.046 0.000 2.085 649 E HA -0.099 4.251 4.350 0.000 0.000 0.194 649 E C 1.775 178.294 176.600 -0.135 0.000 0.994 649 E CA 1.611 57.965 56.400 -0.078 0.000 0.801 649 E CB -0.457 29.199 29.700 -0.073 0.000 0.743 649 E HN 0.786 nan 8.360 nan 0.000 0.453 650 G N 0.840 109.559 108.800 -0.134 0.000 2.459 650 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 650 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 650 G C 1.782 176.558 174.900 -0.206 0.000 1.183 650 G CA 1.179 46.131 45.100 -0.246 0.000 0.776 650 G HN 0.202 nan 8.290 nan 0.000 0.552 651 V N 1.801 121.697 119.914 -0.029 0.000 2.252 651 V HA -0.228 3.892 4.120 0.000 0.000 0.249 651 V C 3.382 179.463 176.094 -0.021 0.000 1.056 651 V CA 2.368 64.684 62.300 0.027 0.000 1.022 651 V CB -1.122 30.706 31.823 0.008 0.000 0.641 651 V HN 0.502 nan 8.190 nan 0.000 0.445 652 A N -0.695 122.087 122.820 -0.063 0.000 1.940 652 A HA -0.248 4.072 4.320 0.000 0.000 0.219 652 A C 2.380 179.906 177.584 -0.098 0.000 1.176 652 A CA 2.619 54.610 52.037 -0.077 0.000 0.631 652 A CB -0.992 17.964 19.000 -0.074 0.000 0.814 652 A HN 0.531 nan 8.150 nan 0.000 0.446 653 T N -1.216 113.238 114.554 -0.168 0.000 2.737 653 T HA -0.120 4.230 4.350 0.000 0.000 0.265 653 T C 1.750 176.370 174.700 -0.134 0.000 1.038 653 T CA 1.741 63.717 62.100 -0.206 0.000 1.144 653 T CB -0.417 68.243 68.868 -0.347 0.000 0.866 653 T HN 0.539 nan 8.240 nan 0.000 0.434 654 Y N 1.462 121.736 120.300 -0.043 0.000 2.200 654 Y HA 0.135 4.685 4.550 0.000 0.000 0.290 654 Y C 2.692 178.563 175.900 -0.049 0.000 1.137 654 Y CA 0.029 58.099 58.100 -0.049 0.000 1.163 654 Y CB -1.169 37.237 38.460 -0.090 0.000 0.988 654 Y HN 0.191 nan 8.280 nan 0.000 0.518 655 A N 0.068 122.942 122.820 0.091 0.000 1.902 655 A HA -0.115 4.205 4.320 0.000 0.000 0.217 655 A C 2.492 180.088 177.584 0.020 0.000 1.181 655 A CA 1.896 53.947 52.037 0.025 0.000 0.623 655 A CB -1.170 17.816 19.000 -0.024 0.000 0.818 655 A HN 0.383 nan 8.150 nan 0.000 0.443 656 A N -0.143 122.681 122.820 0.007 0.000 1.898 656 A HA 0.184 4.504 4.320 0.000 0.000 0.216 656 A C 2.520 180.149 177.584 0.076 0.000 1.181 656 A CA 2.044 54.088 52.037 0.011 0.000 0.620 656 A CB -1.047 17.933 19.000 -0.033 0.000 0.819 656 A HN 1.045 nan 8.150 nan 0.000 0.442 657 A N -0.414 122.461 122.820 0.092 0.000 1.883 657 A HA -0.030 4.290 4.320 0.000 0.000 0.217 657 A C 2.245 179.931 177.584 0.170 0.000 1.186 657 A CA 1.911 54.044 52.037 0.159 0.000 0.624 657 A CB -1.067 18.032 19.000 0.164 0.000 0.822 657 A HN 0.408 nan 8.150 nan 0.000 0.444 658 V N 0.220 120.198 119.914 0.106 0.000 2.255 658 V HA -0.312 3.808 4.120 0.000 0.000 0.247 658 V C 2.587 178.718 176.094 0.061 0.000 1.051 658 V CA 2.133 64.471 62.300 0.063 0.000 1.018 658 V CB -0.979 30.861 31.823 0.028 0.000 0.641 658 V HN 0.583 nan 8.190 nan 0.000 0.445 659 L N -1.063 120.200 121.223 0.066 0.000 1.997 659 L HA -0.260 4.080 4.340 0.000 0.000 0.216 659 L C 2.425 179.351 176.870 0.094 0.000 1.074 659 L CA 2.296 57.172 54.840 0.061 0.000 0.763 659 L CB -0.761 41.331 42.059 0.054 0.000 0.890 659 L HN 0.394 nan 8.230 nan 0.000 0.434 660 F N 0.976 120.923 119.950 -0.005 0.000 2.069 660 F HA -0.241 4.286 4.527 0.000 0.000 0.298 660 F C 2.715 178.516 175.800 0.002 0.000 1.113 660 F CA 1.615 59.613 58.000 -0.002 0.000 1.214 660 F CB -0.373 38.626 39.000 -0.002 0.000 0.978 660 F HN -0.121 nan 8.300 nan 0.000 0.474 661 R N -0.247 120.180 120.500 -0.122 0.000 2.159 661 R HA -0.117 4.223 4.340 0.000 0.000 0.237 661 R C 1.142 177.323 176.300 -0.199 0.000 1.131 661 R CA 0.920 56.883 56.100 -0.228 0.000 0.982 661 R CB -0.393 29.887 30.300 -0.034 0.000 0.868 661 R HN 0.352 nan 8.270 nan 0.000 0.453 662 M N 0.000 119.530 119.600 -0.117 0.000 2.572 662 M HA 0.000 4.480 4.480 0.000 0.000 0.227 662 M CA 0.000 55.249 55.300 -0.085 0.000 0.988 662 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 662 M HN 0.000 nan 8.290 nan 0.000 0.411