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 1qte_1_A DATA FIRST_RESID 1 DATA SEQUENCE DSLDEQRSRY AQIKQAWDNR QMDVVEQMMP GLKDYPLYPY LEYRQITDDL DATA SEQUENCE MNQPAVTVTN FVRANPTLPP ARTLQSRFVN ELARREDWRG LLAFSPEKPG DATA SEQUENCE TTEAQcNYYY AKWNTGQSEE AWQGAKELWL TGKSQPNAcD KLFSVWRASG DATA SEQUENCE KQDPLAYLER IRLAMKAGNT GLVTVLAGQM PADYQTIASA IISLANNPNT DATA SEQUENCE VLTFARTTGA TDFTRQMAAV AFASVARQDA ENARLMIPSL AQAQQLNEDQ DATA SEQUENCE IQELRDIVAW RLMGNDVTDE QAKWRDDAIM RSQSTSLIER RVRMALGTGD DATA SEQUENCE RRGLNTWLAR LPMEAKEKDE WRYWQADLLL ERGREAEAKE ILHQLMQQRG DATA SEQUENCE FYPMVAAQRI GEEYELKIDK APQNVDSALT QGPEMARVRE LMYWNLDNTA DATA SEQUENCE RSEWANLVKS KSKTEQAQLA RYAFNNQWWD LSVQATIAGK LWDHLEERFP DATA SEQUENCE LAYNDLFKRY TSGKEIPQSY AMAIARQESA WNPKVKSPVG ASGLMQIMPG DATA SEQUENCE TATHTVKMFS IPGYSSPGQL LDPETNINIG TSYLQYVYQQ FGNNRIFSSA DATA SEQUENCE AYNAGPGRVR TWLGNSAGRI DAVAFVESIP FSETRGYVKN VLAYDAYYRY DATA SEQUENCE FMGDKPTLMS ATEWGRRY 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.315 176.300 0.025 0.000 2.045 1 D CA 0.000 54.014 54.000 0.023 0.000 0.868 1 D CB 0.000 40.816 40.800 0.027 0.000 0.688 2 S N 0.038 115.757 115.700 0.032 0.000 2.615 2 S HA 0.375 4.846 4.470 0.001 0.000 0.269 2 S C 0.320 174.950 174.600 0.050 0.000 1.161 2 S CA -0.660 57.560 58.200 0.032 0.000 0.817 2 S CB 1.101 64.312 63.200 0.018 0.000 1.131 2 S HN 0.428 nan 8.310 nan 0.000 0.467 3 L N 1.399 122.653 121.223 0.052 0.000 2.079 3 L HA 0.037 4.377 4.340 0.001 0.000 0.210 3 L C 1.931 178.829 176.870 0.047 0.000 1.081 3 L CA 2.694 57.586 54.840 0.086 0.000 0.752 3 L CB -1.036 41.049 42.059 0.044 0.000 0.896 3 L HN 1.006 nan 8.230 nan 0.000 0.433 4 D N -0.931 119.468 120.400 -0.003 0.000 2.117 4 D HA -0.223 4.418 4.640 0.001 0.000 0.197 4 D C 2.017 178.326 176.300 0.015 0.000 0.987 4 D CA 1.536 55.522 54.000 -0.024 0.000 0.829 4 D CB 0.037 40.823 40.800 -0.024 0.000 0.961 4 D HN 0.530 nan 8.370 nan 0.000 0.460 5 E N -0.497 119.717 120.200 0.024 0.000 2.107 5 E HA -0.163 4.187 4.350 0.001 0.000 0.191 5 E C 2.266 178.879 176.600 0.022 0.000 0.982 5 E CA 0.605 57.024 56.400 0.030 0.000 0.809 5 E CB 0.009 29.726 29.700 0.028 0.000 0.756 5 E HN 0.453 nan 8.360 nan 0.000 0.459 6 Q N 0.304 120.107 119.800 0.005 0.000 2.124 6 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 6 Q C 2.119 177.971 176.000 -0.248 0.000 0.977 6 Q CA 0.973 56.720 55.803 -0.092 0.000 0.850 6 Q CB -0.036 28.701 28.738 -0.002 0.000 0.901 6 Q HN 0.149 nan 8.270 nan 0.000 0.429 7 R N -0.098 120.352 120.500 -0.082 0.000 2.081 7 R HA -0.093 4.248 4.340 0.001 0.000 0.235 7 R C 2.486 179.004 176.300 0.364 0.000 1.131 7 R CA 1.499 57.715 56.100 0.194 0.000 0.960 7 R CB -0.163 30.238 30.300 0.169 0.000 0.856 7 R HN 0.097 nan 8.270 nan 0.000 0.436 8 S N 0.363 116.187 115.700 0.207 0.000 2.356 8 S HA -0.088 4.382 4.470 0.001 0.000 0.223 8 S C 1.813 176.478 174.600 0.109 0.000 1.032 8 S CA 1.073 59.384 58.200 0.184 0.000 1.005 8 S CB -0.108 63.163 63.200 0.117 0.000 0.867 8 S HN 0.317 nan 8.310 nan 0.000 0.449 9 R N -0.478 120.058 120.500 0.061 0.000 2.120 9 R HA -0.091 4.250 4.340 0.001 0.000 0.234 9 R C 2.143 178.464 176.300 0.035 0.000 1.123 9 R CA 1.271 57.394 56.100 0.037 0.000 0.975 9 R CB -0.438 29.881 30.300 0.032 0.000 0.866 9 R HN 0.469 nan 8.270 nan 0.000 0.446 10 Y N 1.361 121.580 120.300 -0.135 0.000 2.163 10 Y HA -0.177 4.374 4.550 0.001 0.000 0.288 10 Y C 2.354 178.135 175.900 -0.199 0.000 1.136 10 Y CA 1.274 59.272 58.100 -0.170 0.000 1.147 10 Y CB -0.372 37.899 38.460 -0.315 0.000 0.987 10 Y HN 0.027 nan 8.280 nan 0.000 0.509 11 A N -0.071 122.616 122.820 -0.221 0.000 1.933 11 A HA -0.234 4.086 4.320 0.001 0.000 0.218 11 A C 2.076 179.535 177.584 -0.208 0.000 1.175 11 A CA 1.904 53.724 52.037 -0.361 0.000 0.628 11 A CB -0.685 18.206 19.000 -0.181 0.000 0.814 11 A HN 0.653 nan 8.150 nan 0.000 0.444 12 Q N -0.899 118.844 119.800 -0.094 0.000 2.119 12 Q HA 0.004 4.344 4.340 0.001 0.000 0.201 12 Q C 2.029 177.998 176.000 -0.052 0.000 0.972 12 Q CA 1.335 57.107 55.803 -0.051 0.000 0.847 12 Q CB -0.225 28.508 28.738 -0.008 0.000 0.903 12 Q HN 0.766 nan 8.270 nan 0.000 0.433 13 I N 0.574 121.108 120.570 -0.060 0.000 2.439 13 I HA -0.264 3.906 4.170 0.001 0.000 0.251 13 I C 1.645 177.789 176.117 0.045 0.000 1.139 13 I CA 1.120 62.422 61.300 0.004 0.000 1.438 13 I CB 0.145 38.181 38.000 0.059 0.000 1.085 13 I HN 0.115 nan 8.210 nan 0.000 0.427 14 K N 0.026 120.349 120.400 -0.127 0.000 2.097 14 K HA -0.230 4.091 4.320 0.001 0.000 0.205 14 K C 2.084 178.651 176.600 -0.056 0.000 1.050 14 K CA 1.324 57.521 56.287 -0.150 0.000 0.938 14 K CB -0.170 32.085 32.500 -0.408 0.000 0.718 14 K HN 0.415 nan 8.250 nan 0.000 0.442 15 Q N 0.687 120.442 119.800 -0.075 0.000 2.050 15 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 15 Q C 2.038 178.044 176.000 0.010 0.000 0.980 15 Q CA 1.621 57.401 55.803 -0.039 0.000 0.840 15 Q CB -0.102 28.609 28.738 -0.044 0.000 0.898 15 Q HN 0.320 nan 8.270 nan 0.000 0.424 16 A N 0.375 123.207 122.820 0.021 0.000 1.902 16 A HA -0.192 4.129 4.320 0.001 0.000 0.217 16 A C 1.791 179.420 177.584 0.074 0.000 1.181 16 A CA 1.167 53.217 52.037 0.022 0.000 0.623 16 A CB -1.251 17.743 19.000 -0.011 0.000 0.818 16 A HN 0.752 nan 8.150 nan 0.000 0.443 17 W N 1.395 122.647 121.300 -0.081 0.000 2.358 17 W HA -0.134 4.527 4.660 0.001 0.000 0.303 17 W C 1.110 177.588 176.519 -0.069 0.000 1.208 17 W CA 1.926 59.226 57.345 -0.075 0.000 1.274 17 W CB -0.558 28.846 29.460 -0.093 0.000 1.138 17 W HN 0.422 nan 8.180 nan 0.000 0.515 18 D N -0.503 120.007 120.400 0.183 0.000 2.218 18 D HA -0.153 4.488 4.640 0.001 0.000 0.204 18 D C 1.362 177.698 176.300 0.062 0.000 0.976 18 D CA 1.128 55.171 54.000 0.073 0.000 0.853 18 D CB -0.515 40.287 40.800 0.003 0.000 0.939 18 D HN 0.149 nan 8.370 nan 0.000 0.481 19 N N 0.532 119.266 118.700 0.057 0.000 2.280 19 N HA 0.009 4.750 4.740 0.001 0.000 0.192 19 N C -0.043 175.482 175.510 0.025 0.000 1.109 19 N CA 0.006 53.072 53.050 0.028 0.000 0.855 19 N CB 0.387 38.880 38.487 0.011 0.000 0.974 19 N HN -0.073 nan 8.380 nan 0.000 0.482 20 R N 0.303 120.833 120.500 0.050 0.000 3.641 20 R HA -0.189 4.152 4.340 0.001 0.000 0.286 20 R C -0.616 175.663 176.300 -0.035 0.000 1.153 20 R CA 0.390 56.501 56.100 0.018 0.000 0.775 20 R CB -2.932 27.380 30.300 0.020 0.000 1.215 20 R HN 0.541 nan 8.270 nan 0.000 0.474 21 Q N 0.530 120.303 119.800 -0.044 0.000 3.027 21 Q HA 0.180 4.521 4.340 0.001 0.000 0.260 21 Q C 1.176 177.104 176.000 -0.120 0.000 1.379 21 Q CA -0.341 55.424 55.803 -0.063 0.000 1.038 21 Q CB 0.429 29.141 28.738 -0.043 0.000 1.578 21 Q HN 0.075 nan 8.270 nan 0.000 0.571 22 M N 0.688 120.199 119.600 -0.148 0.000 2.374 22 M HA -0.134 4.347 4.480 0.001 0.000 0.264 22 M C 1.263 177.452 176.300 -0.184 0.000 1.067 22 M CA 1.081 56.246 55.300 -0.225 0.000 1.103 22 M CB -0.722 31.750 32.600 -0.212 0.000 1.402 22 M HN 0.470 nan 8.290 nan 0.000 0.444 23 D N 0.268 120.595 120.400 -0.122 0.000 2.144 23 D HA -0.089 4.552 4.640 0.001 0.000 0.200 23 D C 1.971 178.214 176.300 -0.094 0.000 0.978 23 D CA 0.954 54.897 54.000 -0.095 0.000 0.833 23 D CB -0.894 39.866 40.800 -0.065 0.000 0.961 23 D HN 0.243 nan 8.370 nan 0.000 0.470 24 V N 0.795 120.652 119.914 -0.095 0.000 2.379 24 V HA -0.183 3.938 4.120 0.001 0.000 0.245 24 V C 2.890 178.919 176.094 -0.107 0.000 1.044 24 V CA 1.084 63.337 62.300 -0.079 0.000 1.036 24 V CB -0.256 31.530 31.823 -0.061 0.000 0.664 24 V HN 0.100 nan 8.190 nan 0.000 0.453 25 V N 0.017 119.820 119.914 -0.186 0.000 2.295 25 V HA -0.274 3.847 4.120 0.001 0.000 0.246 25 V C 2.406 178.362 176.094 -0.230 0.000 1.049 25 V CA 2.133 64.267 62.300 -0.278 0.000 1.024 25 V CB -0.705 30.739 31.823 -0.631 0.000 0.648 25 V HN 0.608 nan 8.190 nan 0.000 0.447 26 E N -0.273 119.797 120.200 -0.215 0.000 2.118 26 E HA -0.313 4.037 4.350 0.001 0.000 0.195 26 E C 2.280 178.836 176.600 -0.074 0.000 0.992 26 E CA 1.530 57.844 56.400 -0.143 0.000 0.804 26 E CB -0.148 29.478 29.700 -0.124 0.000 0.741 26 E HN 0.653 nan 8.360 nan 0.000 0.458 27 Q N 0.154 119.915 119.800 -0.065 0.000 2.123 27 Q HA -0.112 4.229 4.340 0.001 0.000 0.199 27 Q C 2.034 178.026 176.000 -0.012 0.000 0.966 27 Q CA 1.076 56.859 55.803 -0.033 0.000 0.845 27 Q CB 0.128 28.846 28.738 -0.032 0.000 0.907 27 Q HN 0.291 nan 8.270 nan 0.000 0.439 28 M N -0.672 118.921 119.600 -0.013 0.000 2.388 28 M HA -0.054 4.426 4.480 0.001 0.000 0.265 28 M C 2.109 178.454 176.300 0.074 0.000 1.088 28 M CA 0.516 55.830 55.300 0.024 0.000 1.134 28 M CB 0.003 32.615 32.600 0.021 0.000 1.384 28 M HN 0.282 nan 8.290 nan 0.000 0.447 29 M N 1.447 121.094 119.600 0.078 0.000 2.073 29 M HA -0.143 4.337 4.480 0.001 0.000 0.258 29 M C -1.004 175.427 176.300 0.220 0.000 1.070 29 M CA 2.489 57.905 55.300 0.195 0.000 1.103 29 M CB -1.158 31.526 32.600 0.142 0.000 1.321 29 M HN -0.080 nan 8.290 nan 0.000 0.405 30 P HA -0.058 nan 4.420 nan 0.000 0.216 30 P C 1.175 178.472 177.300 -0.005 0.000 1.150 30 P CA 1.921 65.047 63.100 0.044 0.000 0.837 30 P CB -0.461 31.256 31.700 0.027 0.000 0.786 31 G N -1.150 107.667 108.800 0.027 0.000 2.776 31 G HA2 -0.101 3.859 3.960 0.001 0.000 0.209 31 G HA3 -0.101 3.859 3.960 0.001 0.000 0.209 31 G C 1.052 175.972 174.900 0.033 0.000 1.145 31 G CA 0.160 45.271 45.100 0.020 0.000 0.791 31 G HN 0.263 nan 8.290 nan 0.000 0.530 32 L N -0.605 120.656 121.223 0.063 0.000 2.728 32 L HA 0.261 4.601 4.340 0.001 0.000 0.238 32 L C 2.156 179.014 176.870 -0.020 0.000 1.143 32 L CA -0.116 54.813 54.840 0.148 0.000 0.937 32 L CB 0.309 42.580 42.059 0.353 0.000 1.225 32 L HN 0.083 nan 8.230 nan 0.000 0.507 33 K N 0.136 120.288 120.400 -0.413 0.000 2.211 33 K HA -0.163 4.157 4.320 0.001 0.000 0.204 33 K C 0.793 177.243 176.600 -0.250 0.000 1.047 33 K CA 1.209 57.022 56.287 -0.790 0.000 0.935 33 K CB 0.057 32.211 32.500 -0.577 0.000 0.728 33 K HN 0.257 nan 8.250 nan 0.000 0.452 34 D N -0.762 119.604 120.400 -0.056 0.000 2.340 34 D HA -0.061 4.579 4.640 0.001 0.000 0.220 34 D C -0.162 176.215 176.300 0.129 0.000 1.039 34 D CA 0.240 54.259 54.000 0.033 0.000 0.866 34 D CB -0.022 40.796 40.800 0.030 0.000 0.913 34 D HN 0.083 nan 8.370 nan 0.000 0.523 35 Y N 1.452 121.788 120.300 0.060 0.000 2.359 35 Y HA 0.180 4.731 4.550 0.001 0.000 0.330 35 Y C -1.587 174.380 175.900 0.112 0.000 1.143 35 Y CA -2.268 55.884 58.100 0.087 0.000 1.318 35 Y CB 1.174 39.710 38.460 0.126 0.000 1.234 35 Y HN -0.174 nan 8.280 nan 0.000 0.522 36 P HA -0.188 nan 4.420 nan 0.000 0.217 36 P C 0.859 178.029 177.300 -0.216 0.000 1.148 36 P CA 1.732 64.639 63.100 -0.322 0.000 0.828 36 P CB 0.161 31.634 31.700 -0.378 0.000 0.783 37 L N -3.212 117.750 121.223 -0.436 0.000 2.629 37 L HA 0.059 4.400 4.340 0.001 0.000 0.230 37 L C 1.956 179.048 176.870 0.371 0.000 1.151 37 L CA -0.056 54.796 54.840 0.020 0.000 0.924 37 L CB -0.680 41.235 42.059 -0.239 0.000 1.137 37 L HN -0.034 nan 8.230 nan 0.000 0.457 38 Y N 2.587 123.045 120.300 0.265 0.000 2.151 38 Y HA -0.173 4.377 4.550 0.001 0.000 0.284 38 Y C -0.537 175.558 175.900 0.326 0.000 1.166 38 Y CA 1.652 59.954 58.100 0.337 0.000 1.163 38 Y CB -1.135 37.480 38.460 0.260 0.000 0.974 38 Y HN 0.167 nan 8.280 nan 0.000 0.511 39 P HA -0.189 nan 4.420 nan 0.000 0.218 39 P C 0.978 178.369 177.300 0.151 0.000 1.148 39 P CA 1.892 65.081 63.100 0.148 0.000 0.822 39 P CB -0.283 31.439 31.700 0.037 0.000 0.784 40 Y N -1.140 119.258 120.300 0.164 0.000 2.293 40 Y HA -0.094 4.456 4.550 0.001 0.000 0.291 40 Y C 2.230 178.190 175.900 0.099 0.000 1.137 40 Y CA 0.922 59.119 58.100 0.161 0.000 1.202 40 Y CB -0.956 37.596 38.460 0.152 0.000 0.990 40 Y HN -0.124 nan 8.280 nan 0.000 0.537 41 L N -0.417 120.930 121.223 0.206 0.000 2.056 41 L HA -0.193 4.147 4.340 0.001 0.000 0.207 41 L C 2.436 179.309 176.870 0.006 0.000 1.078 41 L CA 1.516 56.410 54.840 0.090 0.000 0.749 41 L CB -0.435 41.740 42.059 0.194 0.000 0.901 41 L HN 0.231 nan 8.230 nan 0.000 0.433 42 E N -0.350 119.754 120.200 -0.160 0.000 2.077 42 E HA -0.285 4.065 4.350 0.001 0.000 0.193 42 E C 2.171 178.560 176.600 -0.351 0.000 0.989 42 E CA 1.276 57.550 56.400 -0.209 0.000 0.800 42 E CB -0.129 29.491 29.700 -0.133 0.000 0.746 42 E HN 0.428 nan 8.360 nan 0.000 0.452 43 Y N 1.270 121.315 120.300 -0.425 0.000 2.181 43 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 43 Y C 2.366 178.099 175.900 -0.279 0.000 1.146 43 Y CA 2.108 59.918 58.100 -0.484 0.000 1.164 43 Y CB -0.151 38.205 38.460 -0.173 0.000 0.982 43 Y HN -0.108 nan 8.280 nan 0.000 0.515 44 R N 0.149 120.506 120.500 -0.239 0.000 2.081 44 R HA -0.220 4.121 4.340 0.001 0.000 0.235 44 R C 2.499 178.689 176.300 -0.183 0.000 1.131 44 R CA 1.838 57.729 56.100 -0.349 0.000 0.960 44 R CB -0.357 29.563 30.300 -0.633 0.000 0.856 44 R HN 0.557 nan 8.270 nan 0.000 0.436 45 Q N 0.396 120.217 119.800 0.036 0.000 2.050 45 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 45 Q C 2.092 178.047 176.000 -0.074 0.000 0.980 45 Q CA 1.787 57.697 55.803 0.178 0.000 0.840 45 Q CB -0.047 28.792 28.738 0.168 0.000 0.898 45 Q HN 0.436 nan 8.270 nan 0.000 0.424 46 I N 0.664 121.078 120.570 -0.259 0.000 2.179 46 I HA -0.260 3.910 4.170 0.001 0.000 0.242 46 I C 2.494 178.430 176.117 -0.302 0.000 1.088 46 I CA 1.712 62.820 61.300 -0.321 0.000 1.357 46 I CB -0.539 37.160 38.000 -0.501 0.000 1.051 46 I HN 0.412 nan 8.210 nan 0.000 0.409 47 T N -2.950 111.350 114.554 -0.424 0.000 3.035 47 T HA -0.108 4.243 4.350 0.001 0.000 0.268 47 T C 1.434 176.025 174.700 -0.183 0.000 1.109 47 T CA 0.905 62.796 62.100 -0.348 0.000 1.119 47 T CB -0.327 68.210 68.868 -0.553 0.000 0.900 47 T HN 0.157 nan 8.240 nan 0.000 0.503 48 D N 1.753 122.078 120.400 -0.126 0.000 2.178 48 D HA -0.028 4.613 4.640 0.001 0.000 0.201 48 D C 0.937 177.222 176.300 -0.026 0.000 0.980 48 D CA 1.107 55.092 54.000 -0.026 0.000 0.842 48 D CB -0.195 40.659 40.800 0.090 0.000 0.948 48 D HN 0.489 nan 8.370 nan 0.000 0.472 49 D N -0.782 119.590 120.400 -0.047 0.000 2.891 49 D HA 0.052 4.693 4.640 0.001 0.000 0.332 49 D C 1.142 177.418 176.300 -0.040 0.000 1.369 49 D CA -0.268 53.710 54.000 -0.036 0.000 0.827 49 D CB -0.066 40.714 40.800 -0.033 0.000 1.141 49 D HN -0.116 nan 8.370 nan 0.000 0.464 50 L N 0.450 121.647 121.223 -0.042 0.000 2.079 50 L HA -0.032 4.309 4.340 0.001 0.000 0.210 50 L C 1.898 178.797 176.870 0.049 0.000 1.081 50 L CA 1.667 56.507 54.840 0.000 0.000 0.752 50 L CB -0.310 41.754 42.059 0.009 0.000 0.896 50 L HN 0.311 nan 8.230 nan 0.000 0.433 51 M N -1.067 118.538 119.600 0.007 0.000 2.446 51 M HA -0.137 4.344 4.480 0.001 0.000 0.263 51 M C 0.685 176.983 176.300 -0.003 0.000 1.066 51 M CA 0.971 56.266 55.300 -0.007 0.000 1.087 51 M CB -0.216 32.371 32.600 -0.023 0.000 1.406 51 M HN 0.305 nan 8.290 nan 0.000 0.459 52 N N -0.674 118.028 118.700 0.004 0.000 2.177 52 N HA 0.093 4.834 4.740 0.001 0.000 0.218 52 N C -0.364 175.151 175.510 0.008 0.000 1.182 52 N CA 0.115 53.164 53.050 -0.000 0.000 0.882 52 N CB 0.560 39.040 38.487 -0.013 0.000 1.052 52 N HN 0.283 nan 8.380 nan 0.000 0.519 53 Q N 1.959 121.777 119.800 0.029 0.000 2.288 53 Q HA 0.293 4.633 4.340 0.001 0.000 0.258 53 Q C -2.138 173.887 176.000 0.042 0.000 0.957 53 Q CA -1.385 54.415 55.803 -0.006 0.000 0.919 53 Q CB 1.181 29.863 28.738 -0.094 0.000 1.185 53 Q HN 0.189 nan 8.270 nan 0.000 0.408 54 P HA 0.092 nan 4.420 nan 0.000 0.275 54 P C -0.084 177.213 177.300 -0.005 0.000 1.228 54 P CA -0.022 63.098 63.100 0.034 0.000 0.786 54 P CB 0.901 32.608 31.700 0.012 0.000 0.927 55 A N 2.946 125.828 122.820 0.103 0.000 1.978 55 A HA -0.138 4.183 4.320 0.001 0.000 0.220 55 A C 2.134 179.747 177.584 0.048 0.000 1.170 55 A CA 1.740 53.831 52.037 0.091 0.000 0.636 55 A CB -1.534 17.643 19.000 0.295 0.000 0.810 55 A HN 0.380 nan 8.150 nan 0.000 0.448 56 V N -0.352 119.599 119.914 0.062 0.000 2.392 56 V HA -0.246 3.875 4.120 0.001 0.000 0.249 56 V C 2.721 178.834 176.094 0.031 0.000 1.059 56 V CA 2.484 64.823 62.300 0.064 0.000 1.051 56 V CB -1.240 30.614 31.823 0.050 0.000 0.658 56 V HN 0.618 nan 8.190 nan 0.000 0.455 57 T N -0.054 114.484 114.554 -0.027 0.000 2.746 57 T HA -0.147 4.204 4.350 0.001 0.000 0.267 57 T C 1.927 176.599 174.700 -0.048 0.000 1.039 57 T CA 1.660 63.736 62.100 -0.040 0.000 1.142 57 T CB -0.170 68.646 68.868 -0.087 0.000 0.866 57 T HN 0.316 nan 8.240 nan 0.000 0.444 58 V N 1.431 121.230 119.914 -0.191 0.000 2.358 58 V HA -0.160 3.960 4.120 0.001 0.000 0.246 58 V C 2.784 178.970 176.094 0.153 0.000 1.047 58 V CA 1.884 64.075 62.300 -0.183 0.000 1.035 58 V CB -1.215 30.108 31.823 -0.833 0.000 0.658 58 V HN 0.492 nan 8.190 nan 0.000 0.452 59 T N 0.652 115.345 114.554 0.232 0.000 2.684 59 T HA -0.196 4.154 4.350 0.001 0.000 0.267 59 T C 1.861 176.635 174.700 0.123 0.000 1.036 59 T CA 1.851 64.088 62.100 0.228 0.000 1.148 59 T CB -0.417 68.569 68.868 0.196 0.000 0.863 59 T HN 0.430 nan 8.240 nan 0.000 0.436 60 N N 0.727 119.493 118.700 0.111 0.000 2.120 60 N HA -0.046 4.694 4.740 0.001 0.000 0.188 60 N C 1.497 177.073 175.510 0.109 0.000 1.024 60 N CA 0.882 53.986 53.050 0.090 0.000 0.852 60 N CB -0.613 37.926 38.487 0.088 0.000 1.003 60 N HN 0.380 nan 8.380 nan 0.000 0.424 61 F N 1.481 121.438 119.950 0.012 0.000 2.146 61 F HA -0.082 4.445 4.527 0.001 0.000 0.298 61 F C 2.104 177.914 175.800 0.017 0.000 1.096 61 F CA 0.796 58.804 58.000 0.013 0.000 1.275 61 F CB -0.312 38.690 39.000 0.002 0.000 1.008 61 F HN -0.218 nan 8.300 nan 0.000 0.480 62 V N 1.114 121.061 119.914 0.055 0.000 2.343 62 V HA -0.268 3.852 4.120 0.001 0.000 0.247 62 V C 2.511 178.532 176.094 -0.121 0.000 1.051 62 V CA 1.866 64.139 62.300 -0.044 0.000 1.036 62 V CB -0.659 31.215 31.823 0.084 0.000 0.654 62 V HN 0.240 nan 8.190 nan 0.000 0.451 63 R N 0.703 121.160 120.500 -0.071 0.000 2.115 63 R HA 0.085 4.425 4.340 0.001 0.000 0.226 63 R C 2.154 178.392 176.300 -0.103 0.000 1.100 63 R CA 1.304 57.359 56.100 -0.075 0.000 0.980 63 R CB -1.309 28.968 30.300 -0.038 0.000 0.875 63 R HN 0.520 nan 8.270 nan 0.000 0.445 64 A N 1.059 123.799 122.820 -0.134 0.000 2.167 64 A HA 0.030 4.350 4.320 0.001 0.000 0.214 64 A C 0.551 178.009 177.584 -0.210 0.000 1.151 64 A CA 0.442 52.397 52.037 -0.137 0.000 0.735 64 A CB -0.005 18.939 19.000 -0.092 0.000 0.802 64 A HN 0.210 nan 8.150 nan 0.000 0.467 65 N N 0.114 118.621 118.700 -0.322 0.000 2.723 65 N HA 0.140 4.881 4.740 0.001 0.000 0.290 65 N C -2.337 173.023 175.510 -0.249 0.000 1.882 65 N CA -0.922 51.922 53.050 -0.343 0.000 0.851 65 N CB 1.097 39.210 38.487 -0.622 0.000 1.234 65 N HN 0.246 nan 8.380 nan 0.000 0.491 66 P HA -0.132 nan 4.420 nan 0.000 0.219 66 P C 1.094 178.331 177.300 -0.106 0.000 1.146 66 P CA 1.516 64.545 63.100 -0.119 0.000 0.808 66 P CB 0.133 31.777 31.700 -0.092 0.000 0.779 67 T N -4.165 110.324 114.554 -0.108 0.000 3.092 67 T HA 0.239 4.590 4.350 0.001 0.000 0.258 67 T C 0.456 175.099 174.700 -0.095 0.000 1.031 67 T CA -0.493 61.555 62.100 -0.086 0.000 0.925 67 T CB -0.619 68.209 68.868 -0.068 0.000 1.036 67 T HN -0.119 nan 8.240 nan 0.000 0.544 68 L N 2.940 124.074 121.223 -0.148 0.000 2.283 68 L HA 0.431 4.772 4.340 0.001 0.000 0.287 68 L C -1.783 174.986 176.870 -0.169 0.000 1.073 68 L CA -2.180 52.542 54.840 -0.197 0.000 0.822 68 L CB 1.454 43.328 42.059 -0.309 0.000 1.186 68 L HN -0.162 nan 8.230 nan 0.000 0.436 69 P HA -0.142 nan 4.420 nan 0.000 0.216 69 P C -1.508 175.712 177.300 -0.134 0.000 1.157 69 P CA 1.731 64.783 63.100 -0.080 0.000 0.880 69 P CB -0.777 30.916 31.700 -0.012 0.000 0.791 70 P HA -0.079 nan 4.420 nan 0.000 0.226 70 P C 1.143 178.312 177.300 -0.218 0.000 1.153 70 P CA 1.536 64.366 63.100 -0.451 0.000 0.777 70 P CB -0.438 30.614 31.700 -1.079 0.000 0.794 71 A N 0.701 123.466 122.820 -0.092 0.000 1.968 71 A HA -0.105 4.215 4.320 0.001 0.000 0.217 71 A C 2.371 179.994 177.584 0.066 0.000 1.169 71 A CA 0.888 52.977 52.037 0.087 0.000 0.638 71 A CB -0.871 18.032 19.000 -0.161 0.000 0.812 71 A HN 0.083 nan 8.150 nan 0.000 0.446 72 R N -0.382 120.115 120.500 -0.005 0.000 2.090 72 R HA -0.074 4.267 4.340 0.001 0.000 0.228 72 R C 2.313 178.647 176.300 0.057 0.000 1.110 72 R CA 1.758 57.865 56.100 0.013 0.000 0.973 72 R CB -0.603 29.686 30.300 -0.017 0.000 0.869 72 R HN 0.709 nan 8.270 nan 0.000 0.440 73 T N -0.716 113.873 114.554 0.058 0.000 3.023 73 T HA -0.024 4.326 4.350 0.001 0.000 0.266 73 T C 1.792 176.598 174.700 0.176 0.000 1.093 73 T CA 0.360 62.516 62.100 0.095 0.000 1.129 73 T CB -0.049 68.860 68.868 0.068 0.000 0.899 73 T HN 0.055 nan 8.240 nan 0.000 0.491 74 L N 1.122 122.488 121.223 0.240 0.000 2.275 74 L HA 0.044 4.385 4.340 0.001 0.000 0.215 74 L C 2.563 179.644 176.870 0.352 0.000 1.119 74 L CA 1.448 56.486 54.840 0.330 0.000 0.790 74 L CB -0.752 41.561 42.059 0.422 0.000 0.919 74 L HN 0.304 nan 8.230 nan 0.000 0.443 75 Q N -0.819 119.173 119.800 0.320 0.000 2.020 75 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 75 Q C 2.259 178.500 176.000 0.401 0.000 0.982 75 Q CA 2.237 58.275 55.803 0.392 0.000 0.838 75 Q CB -0.340 28.498 28.738 0.167 0.000 0.899 75 Q HN 0.740 nan 8.270 nan 0.000 0.423 76 S N 0.589 116.433 115.700 0.241 0.000 2.387 76 S HA -0.148 4.323 4.470 0.001 0.000 0.226 76 S C 1.891 176.606 174.600 0.191 0.000 1.026 76 S CA 0.942 59.256 58.200 0.191 0.000 0.972 76 S CB -0.256 63.017 63.200 0.121 0.000 0.814 76 S HN 0.265 nan 8.310 nan 0.000 0.477 77 R N -0.083 120.540 120.500 0.205 0.000 2.092 77 R HA -0.012 4.329 4.340 0.001 0.000 0.231 77 R C 2.028 178.432 176.300 0.173 0.000 1.119 77 R CA 1.303 57.506 56.100 0.171 0.000 0.970 77 R CB -0.401 30.009 30.300 0.182 0.000 0.864 77 R HN 0.451 nan 8.270 nan 0.000 0.440 78 F N 0.421 120.399 119.950 0.046 0.000 2.293 78 F HA -0.043 4.485 4.527 0.001 0.000 0.297 78 F C 1.858 177.598 175.800 -0.100 0.000 1.089 78 F CA 0.677 58.605 58.000 -0.120 0.000 1.377 78 F CB -0.106 38.679 39.000 -0.359 0.000 1.051 78 F HN -0.208 nan 8.300 nan 0.000 0.511 79 V N 0.744 120.725 119.914 0.112 0.000 2.343 79 V HA -0.332 3.789 4.120 0.001 0.000 0.247 79 V C 2.153 178.230 176.094 -0.028 0.000 1.051 79 V CA 2.131 64.490 62.300 0.100 0.000 1.036 79 V CB -0.693 31.279 31.823 0.249 0.000 0.654 79 V HN 0.340 nan 8.190 nan 0.000 0.451 80 N N 0.013 118.714 118.700 0.001 0.000 2.244 80 N HA -0.167 4.574 4.740 0.001 0.000 0.183 80 N C 1.875 177.318 175.510 -0.113 0.000 1.016 80 N CA 1.389 54.431 53.050 -0.012 0.000 0.866 80 N CB -0.269 38.234 38.487 0.028 0.000 0.980 80 N HN 0.602 nan 8.380 nan 0.000 0.430 81 E N 1.348 121.418 120.200 -0.217 0.000 2.072 81 E HA -0.015 4.336 4.350 0.001 0.000 0.191 81 E C 1.959 178.300 176.600 -0.431 0.000 0.985 81 E CA 0.783 57.001 56.400 -0.303 0.000 0.801 81 E CB -0.379 29.125 29.700 -0.327 0.000 0.750 81 E HN 0.300 nan 8.360 nan 0.000 0.452 82 L N -0.027 120.834 121.223 -0.604 0.000 2.131 82 L HA -0.080 4.261 4.340 0.001 0.000 0.210 82 L C 2.512 179.097 176.870 -0.474 0.000 1.092 82 L CA 1.020 55.531 54.840 -0.548 0.000 0.759 82 L CB -0.584 41.159 42.059 -0.528 0.000 0.903 82 L HN 0.227 nan 8.230 nan 0.000 0.435 83 A N 0.006 122.626 122.820 -0.333 0.000 1.930 83 A HA -0.223 4.098 4.320 0.001 0.000 0.217 83 A C 2.459 179.859 177.584 -0.307 0.000 1.175 83 A CA 1.469 53.309 52.037 -0.328 0.000 0.627 83 A CB -0.536 18.533 19.000 0.115 0.000 0.815 83 A HN 0.321 nan 8.150 nan 0.000 0.443 84 R N -0.279 120.101 120.500 -0.201 0.000 2.120 84 R HA -0.078 4.263 4.340 0.001 0.000 0.234 84 R C 1.982 178.172 176.300 -0.184 0.000 1.123 84 R CA 1.399 57.416 56.100 -0.138 0.000 0.975 84 R CB -0.168 30.066 30.300 -0.109 0.000 0.866 84 R HN 0.507 nan 8.270 nan 0.000 0.446 85 R N 0.219 120.554 120.500 -0.275 0.000 2.299 85 R HA 0.021 4.361 4.340 0.001 0.000 0.197 85 R C -0.030 176.063 176.300 -0.345 0.000 0.971 85 R CA 0.572 56.516 56.100 -0.261 0.000 1.030 85 R CB 0.132 30.269 30.300 -0.270 0.000 0.932 85 R HN 0.299 nan 8.270 nan 0.000 0.477 86 E N 0.735 120.593 120.200 -0.570 0.000 2.637 86 E HA -0.195 4.156 4.350 0.001 0.000 0.265 86 E C -0.724 175.220 176.600 -1.094 0.000 1.073 86 E CA 0.625 56.478 56.400 -0.911 0.000 0.778 86 E CB -0.965 28.598 29.700 -0.228 0.000 1.362 86 E HN 0.220 nan 8.360 nan 0.000 0.413 87 D N -0.444 119.424 120.400 -0.887 0.000 2.564 87 D HA 0.131 4.771 4.640 0.001 0.000 0.226 87 D C 0.485 176.501 176.300 -0.473 0.000 1.149 87 D CA -0.271 53.412 54.000 -0.529 0.000 0.994 87 D CB -0.284 40.320 40.800 -0.327 0.000 1.029 87 D HN 0.243 nan 8.370 nan 0.000 0.517 88 W N 1.668 122.964 121.300 -0.007 0.000 2.358 88 W HA -0.059 4.602 4.660 0.001 0.000 0.303 88 W C 2.487 178.985 176.519 -0.034 0.000 1.208 88 W CA 0.073 57.408 57.345 -0.016 0.000 1.274 88 W CB -0.122 29.316 29.460 -0.037 0.000 1.138 88 W HN 0.267 nan 8.180 nan 0.000 0.515 89 R N 0.894 121.469 120.500 0.125 0.000 2.073 89 R HA -0.110 4.231 4.340 0.001 0.000 0.234 89 R C 2.421 178.754 176.300 0.055 0.000 1.134 89 R CA 1.975 58.114 56.100 0.065 0.000 0.952 89 R CB -1.009 29.311 30.300 0.033 0.000 0.850 89 R HN 0.246 nan 8.270 nan 0.000 0.433 90 G N 1.259 110.072 108.800 0.021 0.000 2.422 90 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 90 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 90 G C 1.459 176.418 174.900 0.099 0.000 1.146 90 G CA 0.583 45.707 45.100 0.041 0.000 0.769 90 G HN 0.339 nan 8.290 nan 0.000 0.547 91 L N -0.033 121.229 121.223 0.065 0.000 2.012 91 L HA 0.000 4.341 4.340 0.001 0.000 0.210 91 L C 2.742 179.747 176.870 0.225 0.000 1.073 91 L CA 1.161 56.089 54.840 0.145 0.000 0.748 91 L CB -0.124 42.025 42.059 0.149 0.000 0.891 91 L HN 0.196 nan 8.230 nan 0.000 0.431 92 L N -0.755 120.556 121.223 0.146 0.000 2.217 92 L HA -0.103 4.237 4.340 0.001 0.000 0.211 92 L C 2.708 179.650 176.870 0.120 0.000 1.107 92 L CA 0.729 55.632 54.840 0.105 0.000 0.783 92 L CB -0.690 41.370 42.059 0.002 0.000 0.919 92 L HN 0.326 nan 8.230 nan 0.000 0.442 93 A N -0.086 122.814 122.820 0.133 0.000 1.897 93 A HA -0.224 4.097 4.320 0.001 0.000 0.215 93 A C 2.118 179.806 177.584 0.173 0.000 1.181 93 A CA 1.185 53.298 52.037 0.127 0.000 0.620 93 A CB -0.605 18.468 19.000 0.121 0.000 0.821 93 A HN 0.392 nan 8.150 nan 0.000 0.443 94 F N 0.452 120.464 119.950 0.104 0.000 2.206 94 F HA 0.136 4.663 4.527 0.001 0.000 0.298 94 F C 1.271 177.152 175.800 0.134 0.000 1.090 94 F CA 1.512 59.596 58.000 0.141 0.000 1.323 94 F CB 0.098 39.228 39.000 0.216 0.000 1.028 94 F HN 0.141 nan 8.300 nan 0.000 0.492 95 S N 1.722 117.461 115.700 0.064 0.000 2.158 95 S HA 0.341 4.812 4.470 0.001 0.000 0.160 95 S C -1.762 172.928 174.600 0.150 0.000 1.693 95 S CA -1.346 56.849 58.200 -0.008 0.000 1.251 95 S CB 0.352 63.628 63.200 0.126 0.000 1.153 95 S HN 0.033 nan 8.310 nan 0.000 0.439 96 P HA 0.001 nan 4.420 nan 0.000 0.222 96 P C -0.013 177.413 177.300 0.210 0.000 1.147 96 P CA 0.924 64.108 63.100 0.141 0.000 0.790 96 P CB 0.191 31.926 31.700 0.057 0.000 0.780 97 E N 0.433 120.671 120.200 0.063 0.000 2.227 97 E HA 0.206 4.556 4.350 0.001 0.000 0.268 97 E C 0.030 176.362 176.600 -0.447 0.000 0.990 97 E CA -1.222 55.136 56.400 -0.071 0.000 0.856 97 E CB 1.109 30.758 29.700 -0.084 0.000 1.159 97 E HN -0.010 nan 8.360 nan 0.000 0.401 98 K N 3.064 123.049 120.400 -0.691 0.000 2.466 98 K HA 0.033 4.354 4.320 0.001 0.000 0.278 98 K C -1.961 174.321 176.600 -0.531 0.000 1.048 98 K CA -0.844 54.825 56.287 -1.030 0.000 1.088 98 K CB 0.070 32.278 32.500 -0.487 0.000 0.884 98 K HN 0.190 nan 8.250 nan 0.000 0.478 99 P HA 0.042 nan 4.420 nan 0.000 0.277 99 P C 0.430 177.672 177.300 -0.097 0.000 1.276 99 P CA -0.287 62.706 63.100 -0.177 0.000 0.788 99 P CB 0.608 32.268 31.700 -0.066 0.000 1.114 100 G N -0.309 108.473 108.800 -0.030 0.000 2.395 100 G HA2 -0.048 3.912 3.960 0.001 0.000 0.214 100 G HA3 -0.048 3.912 3.960 0.001 0.000 0.214 100 G C 0.585 175.496 174.900 0.019 0.000 1.177 100 G CA 0.953 46.050 45.100 -0.004 0.000 0.794 100 G HN 0.744 nan 8.290 nan 0.000 0.532 101 T N -2.173 112.404 114.554 0.037 0.000 2.882 101 T HA 0.403 4.754 4.350 0.001 0.000 0.287 101 T C 1.410 176.145 174.700 0.058 0.000 1.014 101 T CA 0.410 62.540 62.100 0.050 0.000 1.049 101 T CB 1.511 70.415 68.868 0.060 0.000 1.001 101 T HN -0.046 nan 8.240 nan 0.000 0.525 102 T N 0.696 115.289 114.554 0.065 0.000 2.708 102 T HA -0.124 4.226 4.350 0.001 0.000 0.266 102 T C 1.704 176.454 174.700 0.083 0.000 1.037 102 T CA 1.690 63.839 62.100 0.081 0.000 1.146 102 T CB -0.418 68.497 68.868 0.079 0.000 0.865 102 T HN 0.860 nan 8.240 nan 0.000 0.435 103 E N 0.943 121.184 120.200 0.069 0.000 2.058 103 E HA -0.170 4.181 4.350 0.001 0.000 0.194 103 E C 2.415 179.065 176.600 0.084 0.000 0.997 103 E CA 1.146 57.584 56.400 0.065 0.000 0.801 103 E CB -0.234 29.500 29.700 0.056 0.000 0.746 103 E HN 0.480 nan 8.360 nan 0.000 0.450 104 A N 0.614 123.487 122.820 0.089 0.000 1.972 104 A HA -0.231 4.090 4.320 0.001 0.000 0.219 104 A C 2.034 179.689 177.584 0.118 0.000 1.169 104 A CA 1.562 53.663 52.037 0.108 0.000 0.635 104 A CB -0.459 18.601 19.000 0.099 0.000 0.810 104 A HN 0.342 nan 8.150 nan 0.000 0.446 105 Q N -1.063 118.794 119.800 0.095 0.000 2.119 105 Q HA -0.162 4.179 4.340 0.001 0.000 0.201 105 Q C 2.274 178.412 176.000 0.230 0.000 0.972 105 Q CA 1.584 57.455 55.803 0.113 0.000 0.847 105 Q CB -0.442 28.386 28.738 0.150 0.000 0.903 105 Q HN 0.772 nan 8.270 nan 0.000 0.433 106 c N 0.985 119.695 118.600 0.183 0.000 2.432 106 c HA -0.102 4.468 4.570 0.001 0.000 0.277 106 c C 2.256 176.455 174.090 0.182 0.000 1.249 106 c CA 0.575 56.993 56.329 0.147 0.000 1.725 106 c CB -1.023 41.494 42.510 0.012 0.000 2.028 106 c HN 0.545 nan 8.230 nan 0.000 0.477 107 N N -0.264 118.550 118.700 0.190 0.000 2.244 107 N HA -0.117 4.624 4.740 0.001 0.000 0.183 107 N C 1.485 177.180 175.510 0.309 0.000 1.016 107 N CA 1.143 54.361 53.050 0.281 0.000 0.866 107 N CB -0.552 38.107 38.487 0.286 0.000 0.980 107 N HN 0.735 nan 8.380 nan 0.000 0.430 108 Y N 0.711 121.048 120.300 0.061 0.000 2.145 108 Y HA -0.233 4.318 4.550 0.001 0.000 0.286 108 Y C 1.771 177.582 175.900 -0.148 0.000 1.145 108 Y CA 1.576 59.626 58.100 -0.084 0.000 1.148 108 Y CB -0.437 37.849 38.460 -0.290 0.000 0.981 108 Y HN -0.037 nan 8.280 nan 0.000 0.507 109 Y N -1.768 118.655 120.300 0.205 0.000 2.314 109 Y HA -0.188 4.362 4.550 0.001 0.000 0.293 109 Y C 2.280 178.192 175.900 0.020 0.000 1.129 109 Y CA 1.416 59.551 58.100 0.058 0.000 1.201 109 Y CB -1.142 37.393 38.460 0.126 0.000 0.999 109 Y HN 0.289 nan 8.280 nan 0.000 0.541 110 Y N 0.183 120.511 120.300 0.046 0.000 2.242 110 Y HA -0.131 4.420 4.550 0.001 0.000 0.291 110 Y C 2.385 178.143 175.900 -0.236 0.000 1.137 110 Y CA 0.864 58.909 58.100 -0.093 0.000 1.181 110 Y CB -0.493 37.832 38.460 -0.224 0.000 0.989 110 Y HN 0.044 nan 8.280 nan 0.000 0.527 111 A N 0.321 123.069 122.820 -0.121 0.000 1.933 111 A HA -0.146 4.174 4.320 0.001 0.000 0.218 111 A C 2.267 179.729 177.584 -0.203 0.000 1.175 111 A CA 1.526 53.516 52.037 -0.078 0.000 0.628 111 A CB -0.414 18.707 19.000 0.202 0.000 0.814 111 A HN 0.289 nan 8.150 nan 0.000 0.444 112 K N -1.275 118.980 120.400 -0.242 0.000 2.026 112 K HA -0.204 4.116 4.320 0.001 0.000 0.208 112 K C 1.743 178.198 176.600 -0.241 0.000 1.048 112 K CA 1.528 57.667 56.287 -0.247 0.000 0.929 112 K CB -0.542 31.831 32.500 -0.210 0.000 0.713 112 K HN 0.777 nan 8.250 nan 0.000 0.439 113 W N 3.065 124.103 121.300 -0.436 0.000 2.335 113 W HA -0.142 4.519 4.660 0.001 0.000 0.311 113 W C 1.595 177.843 176.519 -0.453 0.000 1.213 113 W CA 1.350 58.392 57.345 -0.505 0.000 1.274 113 W CB -0.504 28.651 29.460 -0.507 0.000 1.148 113 W HN 0.090 nan 8.180 nan 0.000 0.498 114 N N -0.501 117.795 118.700 -0.673 0.000 2.364 114 N HA -0.126 4.614 4.740 0.001 0.000 0.183 114 N C 1.047 176.253 175.510 -0.506 0.000 1.022 114 N CA 1.942 54.502 53.050 -0.817 0.000 0.883 114 N CB -0.378 37.624 38.487 -0.808 0.000 0.965 114 N HN 0.312 nan 8.380 nan 0.000 0.438 115 T N -3.376 110.958 114.554 -0.366 0.000 3.269 115 T HA 0.419 4.770 4.350 0.001 0.000 0.269 115 T C 1.010 175.561 174.700 -0.248 0.000 0.993 115 T CA 0.078 62.036 62.100 -0.237 0.000 0.909 115 T CB 0.394 69.181 68.868 -0.133 0.000 1.115 115 T HN 0.172 nan 8.240 nan 0.000 0.543 116 G N 1.915 110.506 108.800 -0.347 0.000 2.155 116 G HA2 -0.239 3.722 3.960 0.001 0.000 0.257 116 G HA3 -0.239 3.722 3.960 0.001 0.000 0.257 116 G C 0.231 174.987 174.900 -0.239 0.000 0.983 116 G CA -0.084 44.843 45.100 -0.289 0.000 0.676 116 G HN 0.591 nan 8.290 nan 0.000 0.528 117 Q N 0.498 120.143 119.800 -0.257 0.000 2.923 117 Q HA 0.466 4.807 4.340 0.001 0.000 0.363 117 Q C 1.418 177.229 176.000 -0.315 0.000 1.159 117 Q CA 0.275 55.946 55.803 -0.220 0.000 1.073 117 Q CB 0.663 29.297 28.738 -0.174 0.000 1.364 117 Q HN 0.332 nan 8.270 nan 0.000 0.466 118 S N 1.045 116.516 115.700 -0.382 0.000 2.359 118 S HA -0.212 4.259 4.470 0.001 0.000 0.224 118 S C 1.706 175.746 174.600 -0.932 0.000 1.035 118 S CA 1.476 59.235 58.200 -0.736 0.000 1.018 118 S CB 0.140 63.093 63.200 -0.412 0.000 0.876 118 S HN 0.649 nan 8.310 nan 0.000 0.448 119 E N 0.809 120.769 120.200 -0.401 0.000 2.085 119 E HA -0.240 4.111 4.350 0.001 0.000 0.194 119 E C 2.097 178.609 176.600 -0.148 0.000 0.994 119 E CA 1.318 57.612 56.400 -0.177 0.000 0.801 119 E CB -0.103 29.574 29.700 -0.038 0.000 0.743 119 E HN 0.600 nan 8.360 nan 0.000 0.453 120 E N -0.466 119.642 120.200 -0.153 0.000 2.107 120 E HA -0.149 4.202 4.350 0.001 0.000 0.191 120 E C 1.923 178.481 176.600 -0.070 0.000 0.982 120 E CA 0.768 57.138 56.400 -0.050 0.000 0.809 120 E CB -0.094 29.613 29.700 0.012 0.000 0.756 120 E HN 0.337 nan 8.360 nan 0.000 0.459 121 A N 0.655 123.347 122.820 -0.215 0.000 1.902 121 A HA -0.175 4.146 4.320 0.001 0.000 0.217 121 A C 1.859 179.383 177.584 -0.099 0.000 1.181 121 A CA 1.289 53.220 52.037 -0.178 0.000 0.623 121 A CB -1.144 17.580 19.000 -0.460 0.000 0.818 121 A HN 0.539 nan 8.150 nan 0.000 0.443 122 W N -0.441 120.766 121.300 -0.154 0.000 2.418 122 W HA -0.132 4.529 4.660 0.001 0.000 0.292 122 W C 2.607 178.866 176.519 -0.434 0.000 1.213 122 W CA 0.637 57.777 57.345 -0.341 0.000 1.283 122 W CB -0.190 29.256 29.460 -0.023 0.000 1.119 122 W HN 0.414 nan 8.180 nan 0.000 0.542 123 Q N 0.290 120.052 119.800 -0.063 0.000 2.084 123 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 123 Q C 2.605 178.404 176.000 -0.335 0.000 0.978 123 Q CA 1.654 57.379 55.803 -0.130 0.000 0.844 123 Q CB -0.804 27.897 28.738 -0.063 0.000 0.898 123 Q HN 0.383 nan 8.270 nan 0.000 0.426 124 G N 0.527 108.918 108.800 -0.681 0.000 2.402 124 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 124 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 124 G C 1.500 176.015 174.900 -0.642 0.000 1.162 124 G CA 0.738 45.087 45.100 -1.252 0.000 0.777 124 G HN 0.409 nan 8.290 nan 0.000 0.539 125 A N 0.888 123.393 122.820 -0.525 0.000 1.883 125 A HA -0.082 4.238 4.320 0.001 0.000 0.217 125 A C 2.212 179.469 177.584 -0.545 0.000 1.186 125 A CA 2.221 54.011 52.037 -0.412 0.000 0.624 125 A CB -0.497 18.078 19.000 -0.709 0.000 0.822 125 A HN 0.392 nan 8.150 nan 0.000 0.444 126 K N -0.372 119.545 120.400 -0.805 0.000 2.103 126 K HA -0.220 4.101 4.320 0.001 0.000 0.207 126 K C 2.076 178.662 176.600 -0.023 0.000 1.048 126 K CA 1.769 57.817 56.287 -0.399 0.000 0.930 126 K CB -0.159 32.258 32.500 -0.138 0.000 0.716 126 K HN 0.656 nan 8.250 nan 0.000 0.444 127 E N 0.394 120.555 120.200 -0.065 0.000 2.106 127 E HA -0.158 4.193 4.350 0.001 0.000 0.192 127 E C 1.938 178.594 176.600 0.093 0.000 0.984 127 E CA 0.831 57.243 56.400 0.020 0.000 0.806 127 E CB 0.042 29.732 29.700 -0.017 0.000 0.750 127 E HN 0.329 nan 8.360 nan 0.000 0.458 128 L N 0.183 121.490 121.223 0.141 0.000 2.240 128 L HA -0.068 4.273 4.340 0.001 0.000 0.211 128 L C 2.356 179.446 176.870 0.367 0.000 1.106 128 L CA 0.415 55.419 54.840 0.273 0.000 0.793 128 L CB -0.400 41.868 42.059 0.348 0.000 0.927 128 L HN 0.431 nan 8.230 nan 0.000 0.446 129 W N 1.094 122.435 121.300 0.068 0.000 2.418 129 W HA -0.062 4.598 4.660 0.001 0.000 0.292 129 W C 0.770 177.232 176.519 -0.095 0.000 1.213 129 W CA 0.506 57.735 57.345 -0.192 0.000 1.283 129 W CB 0.118 29.458 29.460 -0.200 0.000 1.119 129 W HN -0.025 nan 8.180 nan 0.000 0.542 130 L N 3.090 124.383 121.223 0.116 0.000 2.436 130 L HA 0.084 4.424 4.340 0.001 0.000 0.244 130 L C 0.159 176.997 176.870 -0.054 0.000 1.396 130 L CA 0.660 55.512 54.840 0.019 0.000 1.217 130 L CB -0.826 41.306 42.059 0.122 0.000 1.420 130 L HN -0.227 nan 8.230 nan 0.000 0.434 131 T N -0.916 113.538 114.554 -0.166 0.000 3.012 131 T HA 0.390 4.740 4.350 0.001 0.000 0.330 131 T C 0.884 175.470 174.700 -0.190 0.000 1.321 131 T CA -0.086 61.941 62.100 -0.122 0.000 1.067 131 T CB 1.671 70.504 68.868 -0.058 0.000 1.235 131 T HN 0.326 nan 8.240 nan 0.000 0.479 132 G N 2.151 110.871 108.800 -0.133 0.000 2.813 132 G HA2 0.111 4.072 3.960 0.001 0.000 0.209 132 G HA3 0.111 4.072 3.960 0.001 0.000 0.209 132 G C 0.538 175.367 174.900 -0.118 0.000 1.150 132 G CA 0.180 45.196 45.100 -0.140 0.000 0.785 132 G HN 0.736 nan 8.290 nan 0.000 0.535 133 K N 1.138 121.485 120.400 -0.090 0.000 2.237 133 K HA 0.286 4.607 4.320 0.001 0.000 0.270 133 K C -0.333 176.233 176.600 -0.057 0.000 1.015 133 K CA -0.388 55.865 56.287 -0.057 0.000 0.949 133 K CB 0.511 32.995 32.500 -0.027 0.000 0.976 133 K HN -0.019 nan 8.250 nan 0.000 0.472 134 S N 3.595 119.275 115.700 -0.034 0.000 2.481 134 S HA 0.067 4.537 4.470 0.001 0.000 0.276 134 S C -0.274 174.343 174.600 0.028 0.000 1.247 134 S CA -0.689 57.504 58.200 -0.011 0.000 1.053 134 S CB 0.888 64.085 63.200 -0.005 0.000 0.925 134 S HN 0.479 nan 8.310 nan 0.000 0.491 135 Q N 2.188 122.033 119.800 0.075 0.000 2.249 135 Q HA 0.380 4.720 4.340 0.001 0.000 0.226 135 Q C -2.162 173.886 176.000 0.079 0.000 0.983 135 Q CA -2.039 53.829 55.803 0.108 0.000 0.930 135 Q CB -0.358 28.513 28.738 0.220 0.000 1.193 135 Q HN 0.372 nan 8.270 nan 0.000 0.508 136 P HA -0.041 nan 4.420 nan 0.000 0.267 136 P C 0.688 177.996 177.300 0.013 0.000 1.200 136 P CA 0.100 63.219 63.100 0.032 0.000 0.772 136 P CB 0.458 32.176 31.700 0.029 0.000 0.855 137 N N 1.994 120.701 118.700 0.012 0.000 2.205 137 N HA -0.234 4.507 4.740 0.001 0.000 0.186 137 N C 1.407 176.894 175.510 -0.038 0.000 1.015 137 N CA 1.314 54.364 53.050 0.001 0.000 0.862 137 N CB -0.100 38.392 38.487 0.008 0.000 0.986 137 N HN 0.448 nan 8.380 nan 0.000 0.429 138 A N 0.315 123.111 122.820 -0.040 0.000 2.024 138 A HA -0.146 4.174 4.320 0.001 0.000 0.220 138 A C 2.585 180.074 177.584 -0.159 0.000 1.164 138 A CA 1.076 53.072 52.037 -0.068 0.000 0.643 138 A CB -0.941 18.052 19.000 -0.012 0.000 0.806 138 A HN 0.585 nan 8.150 nan 0.000 0.451 139 c N -0.530 117.943 118.600 -0.210 0.000 2.481 139 c HA -0.012 4.558 4.570 0.001 0.000 0.275 139 c C 2.108 175.841 174.090 -0.596 0.000 1.419 139 c CA 0.570 56.600 56.329 -0.499 0.000 1.773 139 c CB -1.182 40.932 42.510 -0.661 0.000 1.862 139 c HN 0.597 nan 8.230 nan 0.000 0.530 140 D N 1.640 121.898 120.400 -0.238 0.000 2.116 140 D HA -0.181 4.459 4.640 0.001 0.000 0.193 140 D C 2.157 178.414 176.300 -0.071 0.000 0.998 140 D CA 1.458 55.432 54.000 -0.044 0.000 0.836 140 D CB -0.408 40.406 40.800 0.024 0.000 0.951 140 D HN 0.683 nan 8.370 nan 0.000 0.449 141 K N 0.383 120.663 120.400 -0.201 0.000 2.147 141 K HA -0.111 4.210 4.320 0.001 0.000 0.205 141 K C 2.150 178.639 176.600 -0.185 0.000 1.049 141 K CA 0.734 56.858 56.287 -0.273 0.000 0.936 141 K CB -0.365 31.764 32.500 -0.618 0.000 0.722 141 K HN 0.096 nan 8.250 nan 0.000 0.446 142 L N 0.814 121.926 121.223 -0.185 0.000 2.044 142 L HA -0.006 4.334 4.340 0.001 0.000 0.205 142 L C 1.992 178.980 176.870 0.198 0.000 1.075 142 L CA 1.500 56.368 54.840 0.048 0.000 0.747 142 L CB -0.490 41.543 42.059 -0.043 0.000 0.903 142 L HN 0.032 nan 8.230 nan 0.000 0.435 143 F N -0.278 119.792 119.950 0.199 0.000 2.171 143 F HA -0.116 4.412 4.527 0.001 0.000 0.300 143 F C 2.669 178.526 175.800 0.095 0.000 1.090 143 F CA 1.092 59.258 58.000 0.276 0.000 1.293 143 F CB -1.600 37.635 39.000 0.392 0.000 1.013 143 F HN 0.076 nan 8.300 nan 0.000 0.486 144 S N 0.325 116.149 115.700 0.207 0.000 2.348 144 S HA -0.146 4.325 4.470 0.001 0.000 0.221 144 S C 2.436 176.997 174.600 -0.066 0.000 1.033 144 S CA 1.660 59.891 58.200 0.051 0.000 1.010 144 S CB -0.739 62.478 63.200 0.028 0.000 0.891 144 S HN 0.309 nan 8.310 nan 0.000 0.442 145 V N -0.917 118.923 119.914 -0.124 0.000 2.515 145 V HA -0.090 4.031 4.120 0.001 0.000 0.250 145 V C 1.876 177.768 176.094 -0.336 0.000 1.058 145 V CA 1.479 63.592 62.300 -0.312 0.000 1.064 145 V CB -1.158 30.128 31.823 -0.896 0.000 0.675 145 V HN 0.654 nan 8.190 nan 0.000 0.461 146 W N 2.013 122.970 121.300 -0.571 0.000 2.355 146 W HA -0.115 4.546 4.660 0.001 0.000 0.309 146 W C 2.763 178.781 176.519 -0.836 0.000 1.206 146 W CA 2.234 58.901 57.345 -1.130 0.000 1.284 146 W CB -0.461 28.655 29.460 -0.574 0.000 1.145 146 W HN 0.227 nan 8.180 nan 0.000 0.502 147 R N 0.331 120.486 120.500 -0.575 0.000 2.092 147 R HA -0.103 4.238 4.340 0.001 0.000 0.231 147 R C 2.239 178.282 176.300 -0.428 0.000 1.119 147 R CA 1.831 57.555 56.100 -0.628 0.000 0.970 147 R CB -0.735 29.304 30.300 -0.435 0.000 0.864 147 R HN 0.126 nan 8.270 nan 0.000 0.440 148 A N 0.312 122.955 122.820 -0.295 0.000 2.121 148 A HA -0.123 4.198 4.320 0.001 0.000 0.218 148 A C 2.030 179.528 177.584 -0.144 0.000 1.154 148 A CA 1.557 53.488 52.037 -0.177 0.000 0.679 148 A CB -0.439 18.503 19.000 -0.097 0.000 0.795 148 A HN 0.587 nan 8.150 nan 0.000 0.458 149 S N -1.882 113.684 115.700 -0.224 0.000 2.489 149 S HA 0.311 4.781 4.470 0.001 0.000 0.228 149 S C 1.578 176.103 174.600 -0.126 0.000 0.995 149 S CA 1.245 59.392 58.200 -0.089 0.000 0.934 149 S CB -0.363 62.780 63.200 -0.095 0.000 0.771 149 S HN 1.874 nan 8.310 nan 0.000 0.522 150 G N 1.316 109.963 108.800 -0.255 0.000 2.176 150 G HA2 -0.218 3.743 3.960 0.001 0.000 0.253 150 G HA3 -0.218 3.743 3.960 0.001 0.000 0.253 150 G C 0.759 175.513 174.900 -0.243 0.000 0.979 150 G CA 0.381 45.349 45.100 -0.220 0.000 0.641 150 G HN 0.461 nan 8.290 nan 0.000 0.530 151 K N 0.170 120.370 120.400 -0.333 0.000 2.404 151 K HA 0.143 4.464 4.320 0.001 0.000 0.194 151 K C 1.077 177.462 176.600 -0.357 0.000 1.023 151 K CA 0.089 56.227 56.287 -0.249 0.000 1.094 151 K CB 0.415 32.819 32.500 -0.159 0.000 0.841 151 K HN 0.661 nan 8.250 nan 0.000 0.523 152 Q N 2.509 121.867 119.800 -0.736 0.000 2.344 152 Q HA -0.004 4.336 4.340 0.001 0.000 0.253 152 Q C -0.790 174.879 176.000 -0.550 0.000 1.050 152 Q CA -0.205 54.966 55.803 -1.054 0.000 0.912 152 Q CB 0.532 28.247 28.738 -1.705 0.000 1.258 152 Q HN -0.033 nan 8.270 nan 0.000 0.443 153 D N 6.499 126.721 120.400 -0.298 0.000 2.472 153 D HA -0.019 4.622 4.640 0.001 0.000 0.248 153 D C -1.487 174.738 176.300 -0.125 0.000 1.174 153 D CA -1.698 52.219 54.000 -0.139 0.000 0.883 153 D CB 1.325 42.116 40.800 -0.016 0.000 1.149 153 D HN 0.428 nan 8.370 nan 0.000 0.488 154 P HA -0.152 nan 4.420 nan 0.000 0.219 154 P C 1.821 179.263 177.300 0.236 0.000 1.146 154 P CA 0.761 63.884 63.100 0.039 0.000 0.808 154 P CB 0.338 31.997 31.700 -0.068 0.000 0.779 155 L N -0.700 120.612 121.223 0.149 0.000 2.141 155 L HA -0.104 4.236 4.340 0.001 0.000 0.209 155 L C 2.710 179.638 176.870 0.096 0.000 1.094 155 L CA 1.346 56.246 54.840 0.101 0.000 0.763 155 L CB -0.977 41.127 42.059 0.075 0.000 0.908 155 L HN -0.038 nan 8.230 nan 0.000 0.437 156 A N -0.950 121.943 122.820 0.122 0.000 1.969 156 A HA -0.253 4.067 4.320 0.001 0.000 0.218 156 A C 2.125 179.918 177.584 0.347 0.000 1.169 156 A CA 1.129 53.288 52.037 0.203 0.000 0.635 156 A CB -0.668 18.437 19.000 0.176 0.000 0.810 156 A HN 0.423 nan 8.150 nan 0.000 0.445 157 Y N -0.360 120.018 120.300 0.130 0.000 2.133 157 Y HA -0.135 4.415 4.550 0.001 0.000 0.287 157 Y C 2.040 178.043 175.900 0.171 0.000 1.134 157 Y CA 1.867 60.120 58.100 0.253 0.000 1.133 157 Y CB -0.267 38.222 38.460 0.048 0.000 0.987 157 Y HN 0.243 nan 8.280 nan 0.000 0.502 158 L N 0.696 122.018 121.223 0.165 0.000 2.131 158 L HA -0.161 4.179 4.340 0.001 0.000 0.210 158 L C 2.247 179.071 176.870 -0.078 0.000 1.092 158 L CA 2.148 56.873 54.840 -0.191 0.000 0.759 158 L CB -0.777 40.825 42.059 -0.761 0.000 0.903 158 L HN 0.329 nan 8.230 nan 0.000 0.435 159 E N -0.233 119.981 120.200 0.022 0.000 2.110 159 E HA -0.261 4.089 4.350 0.001 0.000 0.193 159 E C 2.410 179.023 176.600 0.022 0.000 0.988 159 E CA 1.369 57.810 56.400 0.069 0.000 0.804 159 E CB -0.237 29.521 29.700 0.097 0.000 0.745 159 E HN 0.403 nan 8.360 nan 0.000 0.458 160 R N -0.085 120.384 120.500 -0.053 0.000 2.115 160 R HA -0.010 4.331 4.340 0.001 0.000 0.230 160 R C 2.279 178.444 176.300 -0.225 0.000 1.111 160 R CA 1.234 57.157 56.100 -0.294 0.000 0.976 160 R CB -0.218 29.586 30.300 -0.827 0.000 0.870 160 R HN 0.302 nan 8.270 nan 0.000 0.445 161 I N 0.082 120.586 120.570 -0.111 0.000 2.226 161 I HA -0.279 3.891 4.170 0.001 0.000 0.245 161 I C 2.714 178.870 176.117 0.065 0.000 1.100 161 I CA 1.147 62.444 61.300 -0.004 0.000 1.374 161 I CB -0.338 37.743 38.000 0.136 0.000 1.057 161 I HN 0.244 nan 8.210 nan 0.000 0.413 162 R N 1.312 121.911 120.500 0.164 0.000 2.073 162 R HA -0.150 4.191 4.340 0.001 0.000 0.234 162 R C 2.371 178.663 176.300 -0.013 0.000 1.134 162 R CA 1.364 57.520 56.100 0.093 0.000 0.952 162 R CB -0.161 30.246 30.300 0.177 0.000 0.850 162 R HN 0.307 nan 8.270 nan 0.000 0.433 163 L N 0.158 121.362 121.223 -0.031 0.000 2.046 163 L HA -0.133 4.208 4.340 0.001 0.000 0.208 163 L C 2.717 179.534 176.870 -0.088 0.000 1.077 163 L CA 1.308 56.109 54.840 -0.064 0.000 0.747 163 L CB -0.551 41.455 42.059 -0.088 0.000 0.896 163 L HN 0.317 nan 8.230 nan 0.000 0.432 164 A N -0.484 122.268 122.820 -0.113 0.000 1.902 164 A HA -0.264 4.057 4.320 0.001 0.000 0.217 164 A C 2.233 179.763 177.584 -0.090 0.000 1.181 164 A CA 1.918 53.886 52.037 -0.116 0.000 0.623 164 A CB -0.455 18.459 19.000 -0.142 0.000 0.818 164 A HN 0.340 nan 8.150 nan 0.000 0.443 165 M N 0.088 119.638 119.600 -0.084 0.000 2.086 165 M HA -0.100 4.380 4.480 0.001 0.000 0.261 165 M C 1.819 178.065 176.300 -0.090 0.000 1.067 165 M CA 1.910 57.153 55.300 -0.095 0.000 1.116 165 M CB -0.462 32.065 32.600 -0.121 0.000 1.348 165 M HN 0.357 nan 8.290 nan 0.000 0.407 166 K N -0.526 119.826 120.400 -0.081 0.000 2.147 166 K HA -0.045 4.275 4.320 0.001 0.000 0.205 166 K C 1.700 178.260 176.600 -0.066 0.000 1.049 166 K CA 1.323 57.568 56.287 -0.070 0.000 0.936 166 K CB -0.375 32.092 32.500 -0.056 0.000 0.722 166 K HN 0.453 nan 8.250 nan 0.000 0.446 167 A N 0.223 123.002 122.820 -0.067 0.000 2.238 167 A HA 0.167 4.487 4.320 0.001 0.000 0.208 167 A C 1.428 178.973 177.584 -0.065 0.000 1.177 167 A CA 0.825 52.824 52.037 -0.063 0.000 0.804 167 A CB -0.371 18.590 19.000 -0.064 0.000 0.823 167 A HN 0.415 nan 8.150 nan 0.000 0.482 168 G N -0.337 108.420 108.800 -0.070 0.000 2.148 168 G HA2 -0.285 3.676 3.960 0.001 0.000 0.254 168 G HA3 -0.285 3.676 3.960 0.001 0.000 0.254 168 G C 0.255 175.116 174.900 -0.064 0.000 0.981 168 G CA 0.329 45.387 45.100 -0.069 0.000 0.670 168 G HN 0.550 nan 8.290 nan 0.000 0.528 169 N N 1.489 120.149 118.700 -0.067 0.000 3.245 169 N HA 0.225 4.965 4.740 0.001 0.000 0.296 169 N C 1.962 177.434 175.510 -0.063 0.000 1.254 169 N CA 0.791 53.803 53.050 -0.063 0.000 1.190 169 N CB -0.101 38.344 38.487 -0.071 0.000 1.460 169 N HN 0.477 nan 8.380 nan 0.000 0.538 170 T N -2.776 111.744 114.554 -0.057 0.000 2.881 170 T HA -0.064 4.287 4.350 0.001 0.000 0.270 170 T C 1.927 176.604 174.700 -0.037 0.000 1.068 170 T CA 1.079 63.148 62.100 -0.052 0.000 1.131 170 T CB -0.327 68.509 68.868 -0.052 0.000 0.871 170 T HN 0.254 nan 8.240 nan 0.000 0.479 171 G N 1.527 110.307 108.800 -0.033 0.000 2.418 171 G HA2 -0.080 3.881 3.960 0.001 0.000 0.217 171 G HA3 -0.080 3.881 3.960 0.001 0.000 0.217 171 G C 1.420 176.306 174.900 -0.022 0.000 1.158 171 G CA 0.896 45.983 45.100 -0.021 0.000 0.771 171 G HN 0.480 nan 8.290 nan 0.000 0.545 172 L N 0.839 122.037 121.223 -0.041 0.000 2.093 172 L HA 0.068 4.408 4.340 0.001 0.000 0.208 172 L C 2.879 179.712 176.870 -0.062 0.000 1.085 172 L CA 1.235 56.038 54.840 -0.061 0.000 0.755 172 L CB -0.478 41.520 42.059 -0.101 0.000 0.904 172 L HN 0.068 nan 8.230 nan 0.000 0.435 173 V N -0.475 119.406 119.914 -0.055 0.000 2.287 173 V HA -0.345 3.776 4.120 0.001 0.000 0.248 173 V C 2.498 178.598 176.094 0.011 0.000 1.053 173 V CA 2.361 64.643 62.300 -0.031 0.000 1.027 173 V CB -1.131 30.672 31.823 -0.033 0.000 0.646 173 V HN 0.551 nan 8.190 nan 0.000 0.447 174 T N -0.283 114.277 114.554 0.009 0.000 2.746 174 T HA -0.149 4.202 4.350 0.001 0.000 0.267 174 T C 1.936 176.665 174.700 0.049 0.000 1.039 174 T CA 1.618 63.737 62.100 0.032 0.000 1.142 174 T CB -0.181 68.698 68.868 0.019 0.000 0.866 174 T HN 0.275 nan 8.240 nan 0.000 0.444 175 V N 1.505 121.442 119.914 0.038 0.000 2.343 175 V HA -0.116 4.005 4.120 0.001 0.000 0.247 175 V C 2.464 178.619 176.094 0.102 0.000 1.051 175 V CA 1.468 63.803 62.300 0.060 0.000 1.036 175 V CB -0.641 31.210 31.823 0.046 0.000 0.654 175 V HN 0.435 nan 8.190 nan 0.000 0.451 176 L N 0.081 121.352 121.223 0.079 0.000 2.046 176 L HA -0.137 4.203 4.340 0.001 0.000 0.208 176 L C 2.686 179.730 176.870 0.290 0.000 1.077 176 L CA 1.634 56.562 54.840 0.146 0.000 0.747 176 L CB -0.785 41.227 42.059 -0.079 0.000 0.896 176 L HN 0.354 nan 8.230 nan 0.000 0.432 177 A N 0.134 123.069 122.820 0.193 0.000 2.015 177 A HA -0.067 4.253 4.320 0.001 0.000 0.219 177 A C 2.337 180.011 177.584 0.150 0.000 1.163 177 A CA 1.439 53.592 52.037 0.194 0.000 0.646 177 A CB -1.000 18.093 19.000 0.155 0.000 0.806 177 A HN 0.451 nan 8.150 nan 0.000 0.448 178 G N -1.005 107.871 108.800 0.126 0.000 2.484 178 G HA2 -0.057 3.904 3.960 0.001 0.000 0.218 178 G HA3 -0.057 3.904 3.960 0.001 0.000 0.218 178 G C 1.195 176.149 174.900 0.090 0.000 1.130 178 G CA 0.708 45.864 45.100 0.093 0.000 0.784 178 G HN 0.644 nan 8.290 nan 0.000 0.543 179 Q N -0.524 119.357 119.800 0.134 0.000 2.186 179 Q HA 0.371 4.711 4.340 0.001 0.000 0.241 179 Q C 0.078 176.095 176.000 0.028 0.000 0.849 179 Q CA -0.667 55.195 55.803 0.098 0.000 1.053 179 Q CB 0.703 29.536 28.738 0.159 0.000 1.146 179 Q HN 0.297 nan 8.270 nan 0.000 0.475 180 M N 2.325 121.950 119.600 0.041 0.000 2.260 180 M HA 0.081 4.562 4.480 0.001 0.000 0.348 180 M C -2.338 173.827 176.300 -0.226 0.000 1.342 180 M CA -1.495 53.769 55.300 -0.060 0.000 1.040 180 M CB 0.438 33.080 32.600 0.071 0.000 1.810 180 M HN -0.098 nan 8.290 nan 0.000 0.453 181 P HA 0.138 nan 4.420 nan 0.000 0.269 181 P C -0.306 176.824 177.300 -0.284 0.000 1.215 181 P CA 0.047 62.911 63.100 -0.394 0.000 0.780 181 P CB 0.546 31.948 31.700 -0.496 0.000 0.898 182 A N 2.347 125.013 122.820 -0.256 0.000 1.986 182 A HA -0.263 4.058 4.320 0.001 0.000 0.220 182 A C 1.544 178.966 177.584 -0.270 0.000 1.171 182 A CA 2.260 54.171 52.037 -0.210 0.000 0.640 182 A CB -1.472 17.422 19.000 -0.177 0.000 0.811 182 A HN 0.582 nan 8.150 nan 0.000 0.451 183 D N -1.467 118.665 120.400 -0.446 0.000 2.133 183 D HA -0.179 4.462 4.640 0.001 0.000 0.195 183 D C 0.680 176.591 176.300 -0.648 0.000 0.997 183 D CA 1.727 55.324 54.000 -0.671 0.000 0.840 183 D CB -0.285 39.828 40.800 -1.144 0.000 0.947 183 D HN 0.711 nan 8.370 nan 0.000 0.452 184 Y N 0.001 120.237 120.300 -0.107 0.000 2.660 184 Y HA 0.253 4.803 4.550 0.001 0.000 0.254 184 Y C 1.761 177.633 175.900 -0.047 0.000 1.176 184 Y CA -0.559 57.493 58.100 -0.081 0.000 1.195 184 Y CB -0.204 38.194 38.460 -0.103 0.000 1.190 184 Y HN -0.146 nan 8.280 nan 0.000 0.535 185 Q N 0.738 120.547 119.800 0.015 0.000 2.197 185 Q HA -0.154 4.187 4.340 0.001 0.000 0.207 185 Q C 1.192 177.216 176.000 0.038 0.000 0.984 185 Q CA 2.135 57.947 55.803 0.016 0.000 0.869 185 Q CB -0.089 28.629 28.738 -0.033 0.000 0.906 185 Q HN 0.458 nan 8.270 nan 0.000 0.426 186 T N 1.492 116.066 114.554 0.033 0.000 2.849 186 T HA -0.110 4.240 4.350 0.001 0.000 0.270 186 T C 1.700 176.429 174.700 0.049 0.000 1.066 186 T CA 1.430 63.548 62.100 0.030 0.000 1.130 186 T CB -0.225 68.653 68.868 0.017 0.000 0.864 186 T HN 0.620 nan 8.240 nan 0.000 0.481 187 I N -1.785 118.836 120.570 0.085 0.000 4.018 187 I HA 0.568 4.739 4.170 0.001 0.000 0.337 187 I C 2.208 178.421 176.117 0.160 0.000 1.327 187 I CA -0.270 61.094 61.300 0.106 0.000 1.100 187 I CB -0.252 37.823 38.000 0.124 0.000 1.025 187 I HN -0.006 nan 8.210 nan 0.000 0.396 188 A N 1.764 124.665 122.820 0.136 0.000 1.865 188 A HA -0.161 4.160 4.320 0.001 0.000 0.217 188 A C 2.468 180.132 177.584 0.134 0.000 1.191 188 A CA 2.459 54.581 52.037 0.142 0.000 0.623 188 A CB -0.901 18.162 19.000 0.105 0.000 0.826 188 A HN 0.498 nan 8.150 nan 0.000 0.444 189 S N -0.226 115.537 115.700 0.105 0.000 2.368 189 S HA -0.047 4.424 4.470 0.001 0.000 0.225 189 S C 2.290 176.966 174.600 0.126 0.000 1.030 189 S CA 1.215 59.472 58.200 0.095 0.000 0.999 189 S CB -0.493 62.748 63.200 0.068 0.000 0.844 189 S HN 0.814 nan 8.310 nan 0.000 0.459 190 A N 1.405 124.322 122.820 0.161 0.000 1.902 190 A HA -0.035 4.285 4.320 0.001 0.000 0.217 190 A C 2.065 179.864 177.584 0.357 0.000 1.181 190 A CA 1.162 53.352 52.037 0.256 0.000 0.623 190 A CB -0.681 18.447 19.000 0.215 0.000 0.818 190 A HN 0.486 nan 8.150 nan 0.000 0.443 191 I N -0.386 120.388 120.570 0.339 0.000 2.226 191 I HA -0.253 3.918 4.170 0.001 0.000 0.245 191 I C 2.264 178.443 176.117 0.104 0.000 1.100 191 I CA 1.299 62.747 61.300 0.247 0.000 1.374 191 I CB -0.321 37.846 38.000 0.278 0.000 1.057 191 I HN 0.300 nan 8.210 nan 0.000 0.413 192 I N 0.108 120.743 120.570 0.109 0.000 2.286 192 I HA -0.274 3.897 4.170 0.001 0.000 0.248 192 I C 2.546 178.690 176.117 0.044 0.000 1.115 192 I CA 1.251 62.590 61.300 0.065 0.000 1.392 192 I CB -0.303 37.737 38.000 0.068 0.000 1.065 192 I HN 0.141 nan 8.210 nan 0.000 0.418 193 S N 0.654 116.393 115.700 0.066 0.000 2.402 193 S HA -0.133 4.338 4.470 0.001 0.000 0.229 193 S C 1.878 176.485 174.600 0.012 0.000 1.021 193 S CA 1.018 59.247 58.200 0.049 0.000 0.974 193 S CB -0.275 62.973 63.200 0.080 0.000 0.800 193 S HN 0.288 nan 8.310 nan 0.000 0.484 194 L N 1.701 122.910 121.223 -0.022 0.000 2.072 194 L HA 0.108 4.448 4.340 0.001 0.000 0.205 194 L C 2.351 179.146 176.870 -0.124 0.000 1.079 194 L CA 1.636 56.391 54.840 -0.142 0.000 0.752 194 L CB -0.857 40.956 42.059 -0.411 0.000 0.906 194 L HN 0.246 nan 8.230 nan 0.000 0.436 195 A N -0.643 122.122 122.820 -0.091 0.000 1.969 195 A HA -0.233 4.087 4.320 0.001 0.000 0.218 195 A C 2.142 179.697 177.584 -0.049 0.000 1.169 195 A CA 1.758 53.752 52.037 -0.072 0.000 0.635 195 A CB -0.899 18.073 19.000 -0.046 0.000 0.810 195 A HN 0.608 nan 8.150 nan 0.000 0.445 196 N N -0.473 118.209 118.700 -0.030 0.000 2.171 196 N HA -0.093 4.648 4.740 0.001 0.000 0.184 196 N C 0.003 175.498 175.510 -0.026 0.000 1.021 196 N CA 1.356 54.394 53.050 -0.020 0.000 0.854 196 N CB -0.013 38.472 38.487 -0.004 0.000 0.994 196 N HN 0.389 nan 8.380 nan 0.000 0.426 197 N N -1.071 117.611 118.700 -0.030 0.000 2.571 197 N HA 0.245 4.986 4.740 0.001 0.000 0.286 197 N C -2.540 172.944 175.510 -0.044 0.000 1.138 197 N CA -1.796 51.235 53.050 -0.032 0.000 0.859 197 N CB 1.748 40.225 38.487 -0.017 0.000 1.414 197 N HN -0.070 nan 8.380 nan 0.000 0.529 198 P HA -0.067 nan 4.420 nan 0.000 0.228 198 P C 0.240 177.512 177.300 -0.046 0.000 1.151 198 P CA 0.768 63.825 63.100 -0.071 0.000 0.770 198 P CB 0.435 32.089 31.700 -0.078 0.000 0.786 199 N N -0.052 118.628 118.700 -0.032 0.000 2.550 199 N HA -0.040 4.701 4.740 0.001 0.000 0.186 199 N C 1.276 176.792 175.510 0.011 0.000 1.110 199 N CA 1.271 54.312 53.050 -0.015 0.000 0.912 199 N CB -0.414 38.062 38.487 -0.019 0.000 0.968 199 N HN 0.335 nan 8.380 nan 0.000 0.448 200 T N -2.814 111.749 114.554 0.015 0.000 3.219 200 T HA 0.094 4.444 4.350 0.001 0.000 0.249 200 T C 1.734 176.488 174.700 0.090 0.000 1.099 200 T CA -0.131 61.999 62.100 0.050 0.000 0.988 200 T CB -0.092 68.809 68.868 0.055 0.000 0.999 200 T HN -0.135 nan 8.240 nan 0.000 0.550 201 V N 1.080 121.034 119.914 0.065 0.000 2.332 201 V HA -0.095 4.026 4.120 0.001 0.000 0.248 201 V C 2.215 178.417 176.094 0.179 0.000 1.055 201 V CA 1.706 64.069 62.300 0.105 0.000 1.038 201 V CB -0.502 31.372 31.823 0.085 0.000 0.651 201 V HN 0.553 nan 8.190 nan 0.000 0.450 202 L N -0.041 121.262 121.223 0.133 0.000 2.056 202 L HA -0.082 4.258 4.340 0.001 0.000 0.207 202 L C 2.523 179.459 176.870 0.109 0.000 1.078 202 L CA 2.784 57.693 54.840 0.114 0.000 0.749 202 L CB -1.097 41.012 42.059 0.084 0.000 0.901 202 L HN 0.409 nan 8.230 nan 0.000 0.433 203 T N -0.595 114.025 114.554 0.110 0.000 2.708 203 T HA -0.230 4.121 4.350 0.001 0.000 0.266 203 T C 1.668 176.439 174.700 0.118 0.000 1.037 203 T CA 1.835 63.991 62.100 0.093 0.000 1.146 203 T CB -0.616 68.303 68.868 0.086 0.000 0.865 203 T HN 0.399 nan 8.240 nan 0.000 0.435 204 F N 2.319 122.280 119.950 0.018 0.000 2.091 204 F HA -0.118 4.409 4.527 0.001 0.000 0.299 204 F C 2.449 178.258 175.800 0.015 0.000 1.103 204 F CA 1.293 59.303 58.000 0.018 0.000 1.228 204 F CB -0.578 38.429 39.000 0.012 0.000 0.984 204 F HN 0.146 nan 8.300 nan 0.000 0.477 205 A N 0.470 123.394 122.820 0.173 0.000 1.933 205 A HA -0.163 4.158 4.320 0.001 0.000 0.218 205 A C 2.296 179.854 177.584 -0.043 0.000 1.175 205 A CA 1.739 53.808 52.037 0.053 0.000 0.628 205 A CB -0.637 18.436 19.000 0.122 0.000 0.814 205 A HN 0.505 nan 8.150 nan 0.000 0.444 206 R N -0.848 119.642 120.500 -0.016 0.000 2.127 206 R HA -0.036 4.305 4.340 0.001 0.000 0.217 206 R C 2.157 178.425 176.300 -0.052 0.000 1.074 206 R CA 1.545 57.631 56.100 -0.024 0.000 0.991 206 R CB -0.372 29.929 30.300 0.002 0.000 0.895 206 R HN 0.692 nan 8.270 nan 0.000 0.450 207 T N -1.955 112.554 114.554 -0.074 0.000 3.100 207 T HA 0.009 4.360 4.350 0.001 0.000 0.253 207 T C 0.862 175.482 174.700 -0.134 0.000 1.118 207 T CA 0.308 62.359 62.100 -0.081 0.000 1.058 207 T CB -0.012 68.825 68.868 -0.051 0.000 0.953 207 T HN 0.181 nan 8.240 nan 0.000 0.515 208 T N -1.052 113.366 114.554 -0.227 0.000 2.912 208 T HA 0.698 5.049 4.350 0.001 0.000 0.288 208 T C 0.437 175.041 174.700 -0.160 0.000 1.030 208 T CA -0.622 61.328 62.100 -0.249 0.000 1.020 208 T CB 1.536 70.096 68.868 -0.515 0.000 1.056 208 T HN 0.243 nan 8.240 nan 0.000 0.480 209 G N 0.578 109.322 108.800 -0.093 0.000 2.398 209 G HA2 0.493 4.453 3.960 0.001 0.000 0.246 209 G HA3 0.493 4.453 3.960 0.001 0.000 0.246 209 G C 0.291 175.170 174.900 -0.036 0.000 1.289 209 G CA -0.469 44.604 45.100 -0.045 0.000 0.869 209 G HN 1.181 nan 8.290 nan 0.000 0.543 210 A N 2.627 125.433 122.820 -0.022 0.000 2.404 210 A HA 0.668 4.989 4.320 0.001 0.000 0.273 210 A C 0.869 178.467 177.584 0.024 0.000 1.144 210 A CA 0.446 52.481 52.037 -0.003 0.000 0.806 210 A CB 0.047 19.044 19.000 -0.004 0.000 1.080 210 A HN 1.449 nan 8.150 nan 0.000 0.509 211 T N -1.216 113.368 114.554 0.050 0.000 2.787 211 T HA 0.405 4.755 4.350 0.001 0.000 0.297 211 T C 0.365 175.114 174.700 0.082 0.000 1.221 211 T CA 0.033 62.177 62.100 0.073 0.000 1.006 211 T CB 1.114 70.048 68.868 0.110 0.000 1.328 211 T HN 0.302 nan 8.240 nan 0.000 0.509 212 D N -0.647 119.806 120.400 0.088 0.000 2.149 212 D HA -0.059 4.582 4.640 0.001 0.000 0.198 212 D C 1.437 177.797 176.300 0.099 0.000 0.990 212 D CA 1.228 55.275 54.000 0.078 0.000 0.839 212 D CB -0.249 40.596 40.800 0.075 0.000 0.948 212 D HN 0.465 nan 8.370 nan 0.000 0.460 213 F N 0.896 120.854 119.950 0.013 0.000 2.075 213 F HA -0.171 4.357 4.527 0.001 0.000 0.297 213 F C 2.527 178.370 175.800 0.073 0.000 1.113 213 F CA 2.447 60.457 58.000 0.017 0.000 1.218 213 F CB -1.041 37.946 39.000 -0.022 0.000 0.984 213 F HN 0.052 nan 8.300 nan 0.000 0.472 214 T N -1.449 113.126 114.554 0.035 0.000 2.915 214 T HA -0.127 4.223 4.350 0.001 0.000 0.269 214 T C 2.054 176.797 174.700 0.071 0.000 1.071 214 T CA 1.238 63.372 62.100 0.057 0.000 1.132 214 T CB -0.552 68.367 68.868 0.085 0.000 0.878 214 T HN 0.331 nan 8.240 nan 0.000 0.479 215 R N 0.978 121.487 120.500 0.015 0.000 2.075 215 R HA 0.031 4.371 4.340 0.001 0.000 0.232 215 R C 2.985 179.258 176.300 -0.044 0.000 1.126 215 R CA 1.533 57.635 56.100 0.003 0.000 0.963 215 R CB -0.280 30.020 30.300 0.001 0.000 0.858 215 R HN 0.539 nan 8.270 nan 0.000 0.435 216 Q N -0.288 119.458 119.800 -0.090 0.000 2.119 216 Q HA -0.085 4.255 4.340 0.001 0.000 0.201 216 Q C 2.148 178.039 176.000 -0.181 0.000 0.972 216 Q CA 1.028 56.762 55.803 -0.115 0.000 0.847 216 Q CB 0.053 28.727 28.738 -0.106 0.000 0.903 216 Q HN 0.274 nan 8.270 nan 0.000 0.433 217 M N 0.011 119.426 119.600 -0.308 0.000 2.117 217 M HA -0.109 4.371 4.480 0.001 0.000 0.262 217 M C 2.305 178.424 176.300 -0.302 0.000 1.065 217 M CA 1.398 56.469 55.300 -0.382 0.000 1.114 217 M CB -1.057 31.206 32.600 -0.562 0.000 1.361 217 M HN 0.209 nan 8.290 nan 0.000 0.408 218 A N 0.104 122.827 122.820 -0.162 0.000 1.930 218 A HA 0.048 4.368 4.320 0.001 0.000 0.217 218 A C 2.409 179.981 177.584 -0.019 0.000 1.175 218 A CA 1.883 53.873 52.037 -0.077 0.000 0.627 218 A CB -0.831 18.235 19.000 0.111 0.000 0.815 218 A HN 0.478 nan 8.150 nan 0.000 0.443 219 A N -0.558 122.246 122.820 -0.028 0.000 1.972 219 A HA 0.020 4.340 4.320 0.001 0.000 0.219 219 A C 2.207 179.830 177.584 0.065 0.000 1.169 219 A CA 1.749 53.798 52.037 0.020 0.000 0.635 219 A CB -0.768 18.223 19.000 -0.015 0.000 0.810 219 A HN 0.353 nan 8.150 nan 0.000 0.446 220 V N -0.302 119.598 119.914 -0.022 0.000 2.307 220 V HA -0.205 3.916 4.120 0.001 0.000 0.245 220 V C 3.054 179.128 176.094 -0.033 0.000 1.045 220 V CA 1.856 64.132 62.300 -0.039 0.000 1.024 220 V CB -1.167 30.599 31.823 -0.094 0.000 0.651 220 V HN 0.597 nan 8.190 nan 0.000 0.449 221 A N -0.596 122.184 122.820 -0.067 0.000 1.972 221 A HA -0.245 4.075 4.320 0.001 0.000 0.219 221 A C 2.103 179.691 177.584 0.007 0.000 1.169 221 A CA 1.950 53.945 52.037 -0.070 0.000 0.635 221 A CB -0.734 18.183 19.000 -0.139 0.000 0.810 221 A HN 0.539 nan 8.150 nan 0.000 0.446 222 F N 1.032 120.938 119.950 -0.073 0.000 2.134 222 F HA -0.092 4.436 4.527 0.001 0.000 0.299 222 F C 2.459 178.242 175.800 -0.029 0.000 1.097 222 F CA 1.223 59.201 58.000 -0.037 0.000 1.264 222 F CB -0.364 38.627 39.000 -0.015 0.000 1.001 222 F HN 0.242 nan 8.300 nan 0.000 0.479 223 A N -0.829 122.009 122.820 0.031 0.000 1.969 223 A HA -0.126 4.195 4.320 0.001 0.000 0.218 223 A C 2.330 179.836 177.584 -0.131 0.000 1.169 223 A CA 1.821 53.820 52.037 -0.063 0.000 0.635 223 A CB -1.110 17.894 19.000 0.006 0.000 0.810 223 A HN 0.421 nan 8.150 nan 0.000 0.445 224 S N -0.432 115.202 115.700 -0.109 0.000 2.383 224 S HA -0.106 4.364 4.470 0.001 0.000 0.227 224 S C 1.878 176.395 174.600 -0.138 0.000 1.026 224 S CA 1.337 59.472 58.200 -0.109 0.000 0.981 224 S CB -0.372 62.773 63.200 -0.090 0.000 0.818 224 S HN 0.353 nan 8.310 nan 0.000 0.472 225 V N 2.100 121.906 119.914 -0.181 0.000 2.343 225 V HA -0.184 3.936 4.120 0.001 0.000 0.247 225 V C 2.653 178.595 176.094 -0.253 0.000 1.051 225 V CA 1.689 63.866 62.300 -0.206 0.000 1.036 225 V CB -1.190 30.493 31.823 -0.233 0.000 0.654 225 V HN 0.539 nan 8.190 nan 0.000 0.451 226 A N -0.196 122.404 122.820 -0.368 0.000 1.972 226 A HA -0.253 4.068 4.320 0.001 0.000 0.219 226 A C 2.400 179.888 177.584 -0.160 0.000 1.169 226 A CA 1.991 53.842 52.037 -0.310 0.000 0.635 226 A CB -0.568 18.219 19.000 -0.355 0.000 0.810 226 A HN 0.497 nan 8.150 nan 0.000 0.446 227 R N -0.625 119.794 120.500 -0.135 0.000 2.115 227 R HA -0.104 4.237 4.340 0.001 0.000 0.226 227 R C 2.175 178.431 176.300 -0.073 0.000 1.100 227 R CA 1.570 57.619 56.100 -0.085 0.000 0.980 227 R CB -0.170 30.080 30.300 -0.084 0.000 0.875 227 R HN 0.701 nan 8.270 nan 0.000 0.445 228 Q N -0.913 118.835 119.800 -0.087 0.000 2.163 228 Q HA -0.011 4.329 4.340 0.001 0.000 0.198 228 Q C -0.164 175.795 176.000 -0.069 0.000 0.954 228 Q CA 0.706 56.467 55.803 -0.070 0.000 0.851 228 Q CB 0.563 29.258 28.738 -0.071 0.000 0.928 228 Q HN 0.090 nan 8.270 nan 0.000 0.459 229 D N -1.501 118.843 120.400 -0.092 0.000 2.319 229 D HA 0.246 4.886 4.640 0.001 0.000 0.237 229 D C -0.291 175.937 176.300 -0.121 0.000 1.353 229 D CA -0.048 53.898 54.000 -0.089 0.000 0.992 229 D CB 1.211 41.962 40.800 -0.082 0.000 1.368 229 D HN 0.057 nan 8.370 nan 0.000 0.564 230 A N 2.994 125.753 122.820 -0.103 0.000 1.972 230 A HA -0.182 4.138 4.320 0.001 0.000 0.219 230 A C 1.809 179.302 177.584 -0.152 0.000 1.169 230 A CA 1.642 53.608 52.037 -0.119 0.000 0.635 230 A CB -0.077 18.884 19.000 -0.066 0.000 0.810 230 A HN 0.503 nan 8.150 nan 0.000 0.446 231 E N 0.600 120.721 120.200 -0.131 0.000 2.072 231 E HA -0.163 4.188 4.350 0.001 0.000 0.190 231 E C 1.898 178.412 176.600 -0.143 0.000 0.982 231 E CA 1.426 57.737 56.400 -0.148 0.000 0.803 231 E CB -0.478 29.158 29.700 -0.108 0.000 0.755 231 E HN 0.698 nan 8.360 nan 0.000 0.453 232 N N -0.485 118.145 118.700 -0.117 0.000 2.104 232 N HA -0.221 4.520 4.740 0.001 0.000 0.190 232 N C 1.696 177.146 175.510 -0.100 0.000 1.024 232 N CA 1.425 54.419 53.050 -0.094 0.000 0.853 232 N CB -0.129 38.307 38.487 -0.085 0.000 1.008 232 N HN 0.252 nan 8.380 nan 0.000 0.424 233 A N 1.414 124.129 122.820 -0.175 0.000 1.929 233 A HA -0.105 4.216 4.320 0.001 0.000 0.216 233 A C 2.241 179.812 177.584 -0.022 0.000 1.176 233 A CA 0.827 52.725 52.037 -0.231 0.000 0.628 233 A CB -0.588 18.020 19.000 -0.652 0.000 0.816 233 A HN 0.350 nan 8.150 nan 0.000 0.444 234 R N -0.207 120.191 120.500 -0.169 0.000 2.083 234 R HA -0.079 4.262 4.340 0.001 0.000 0.237 234 R C 1.792 177.959 176.300 -0.222 0.000 1.137 234 R CA 1.676 57.572 56.100 -0.340 0.000 0.951 234 R CB -0.399 29.510 30.300 -0.652 0.000 0.851 234 R HN 0.522 nan 8.270 nan 0.000 0.434 235 L N 0.160 121.291 121.223 -0.154 0.000 2.376 235 L HA -0.076 4.264 4.340 0.001 0.000 0.219 235 L C 2.544 179.416 176.870 0.004 0.000 1.133 235 L CA 0.639 55.430 54.840 -0.081 0.000 0.816 235 L CB -0.197 41.818 42.059 -0.073 0.000 0.933 235 L HN 0.356 nan 8.230 nan 0.000 0.449 236 M N -0.329 119.310 119.600 0.066 0.000 2.506 236 M HA -0.055 4.425 4.480 0.001 0.000 0.260 236 M C 2.080 178.458 176.300 0.130 0.000 1.104 236 M CA 0.969 56.344 55.300 0.125 0.000 1.112 236 M CB 0.153 32.876 32.600 0.204 0.000 1.401 236 M HN 0.167 nan 8.290 nan 0.000 0.473 237 I N 1.222 121.877 120.570 0.142 0.000 2.151 237 I HA -0.271 3.899 4.170 0.001 0.000 0.243 237 I C -0.779 175.359 176.117 0.033 0.000 1.080 237 I CA 1.619 62.956 61.300 0.063 0.000 1.339 237 I CB -1.994 36.092 38.000 0.142 0.000 1.039 237 I HN 0.240 nan 8.210 nan 0.000 0.409 238 P HA -0.121 nan 4.420 nan 0.000 0.214 238 P C 1.831 179.147 177.300 0.025 0.000 1.163 238 P CA 1.551 64.677 63.100 0.043 0.000 0.883 238 P CB 0.029 31.758 31.700 0.049 0.000 0.788 239 S N -0.730 114.988 115.700 0.029 0.000 2.382 239 S HA -0.132 4.338 4.470 0.001 0.000 0.228 239 S C 1.762 176.372 174.600 0.017 0.000 1.027 239 S CA 0.913 59.128 58.200 0.025 0.000 0.991 239 S CB -1.057 62.163 63.200 0.033 0.000 0.823 239 S HN 0.041 nan 8.310 nan 0.000 0.469 240 L N 1.846 123.074 121.223 0.008 0.000 2.072 240 L HA 0.130 4.471 4.340 0.001 0.000 0.205 240 L C 2.332 179.181 176.870 -0.036 0.000 1.079 240 L CA 1.728 56.558 54.840 -0.017 0.000 0.752 240 L CB -1.153 40.862 42.059 -0.072 0.000 0.906 240 L HN 0.232 nan 8.230 nan 0.000 0.436 241 A N -1.147 121.648 122.820 -0.042 0.000 1.933 241 A HA -0.241 4.080 4.320 0.001 0.000 0.218 241 A C 2.294 179.870 177.584 -0.014 0.000 1.175 241 A CA 1.726 53.743 52.037 -0.034 0.000 0.628 241 A CB -0.641 18.345 19.000 -0.024 0.000 0.814 241 A HN 0.624 nan 8.150 nan 0.000 0.444 242 Q N -0.380 119.417 119.800 -0.004 0.000 2.123 242 Q HA -0.058 4.283 4.340 0.001 0.000 0.199 242 Q C 2.178 178.178 176.000 -0.000 0.000 0.966 242 Q CA 1.418 57.222 55.803 0.001 0.000 0.845 242 Q CB -0.299 28.443 28.738 0.007 0.000 0.907 242 Q HN 0.554 nan 8.270 nan 0.000 0.439 243 A N 0.604 123.424 122.820 0.001 0.000 2.019 243 A HA -0.148 4.172 4.320 0.001 0.000 0.219 243 A C 1.572 179.153 177.584 -0.005 0.000 1.164 243 A CA 1.311 53.349 52.037 0.001 0.000 0.644 243 A CB -0.125 18.881 19.000 0.010 0.000 0.805 243 A HN 0.505 nan 8.150 nan 0.000 0.449 244 Q N -1.602 118.195 119.800 -0.005 0.000 2.159 244 Q HA 0.168 4.509 4.340 0.001 0.000 0.217 244 Q C -0.805 175.192 176.000 -0.006 0.000 0.818 244 Q CA -0.171 55.628 55.803 -0.006 0.000 1.008 244 Q CB 0.672 29.409 28.738 -0.001 0.000 1.148 244 Q HN 0.676 nan 8.270 nan 0.000 0.491 245 Q N 0.499 120.295 119.800 -0.006 0.000 2.435 245 Q HA -0.200 4.141 4.340 0.001 0.000 0.312 245 Q C -0.770 175.226 176.000 -0.006 0.000 1.333 245 Q CA 0.689 56.490 55.803 -0.004 0.000 0.883 245 Q CB -1.968 26.770 28.738 -0.001 0.000 1.170 245 Q HN 0.427 nan 8.270 nan 0.000 0.443 246 L N 1.224 122.439 121.223 -0.013 0.000 2.453 246 L HA 0.099 4.439 4.340 0.001 0.000 0.272 246 L C 1.224 178.086 176.870 -0.012 0.000 1.182 246 L CA -0.272 54.558 54.840 -0.017 0.000 0.858 246 L CB 0.130 42.168 42.059 -0.035 0.000 1.120 246 L HN 0.411 nan 8.230 nan 0.000 0.474 247 N N 1.647 120.341 118.700 -0.009 0.000 2.327 247 N HA 0.031 4.772 4.740 0.001 0.000 0.257 247 N C 0.580 176.085 175.510 -0.008 0.000 1.281 247 N CA -0.492 52.555 53.050 -0.005 0.000 0.942 247 N CB 0.422 38.908 38.487 -0.001 0.000 1.199 247 N HN 0.392 nan 8.380 nan 0.000 0.532 248 E N -0.346 119.850 120.200 -0.006 0.000 2.085 248 E HA -0.171 4.180 4.350 0.001 0.000 0.194 248 E C 0.921 177.517 176.600 -0.007 0.000 0.994 248 E CA 1.328 57.723 56.400 -0.007 0.000 0.801 248 E CB -0.477 29.219 29.700 -0.007 0.000 0.743 248 E HN 0.611 nan 8.360 nan 0.000 0.453 249 D N 0.770 121.168 120.400 -0.004 0.000 2.117 249 D HA -0.131 4.509 4.640 0.001 0.000 0.197 249 D C 2.059 178.358 176.300 -0.002 0.000 0.987 249 D CA 0.925 54.925 54.000 0.000 0.000 0.829 249 D CB -0.208 40.595 40.800 0.005 0.000 0.961 249 D HN 0.281 nan 8.370 nan 0.000 0.460 250 Q N -0.128 119.667 119.800 -0.008 0.000 2.119 250 Q HA -0.031 4.310 4.340 0.001 0.000 0.201 250 Q C 2.398 178.376 176.000 -0.036 0.000 0.972 250 Q CA 0.682 56.473 55.803 -0.020 0.000 0.847 250 Q CB 0.078 28.802 28.738 -0.024 0.000 0.903 250 Q HN 0.357 nan 8.270 nan 0.000 0.433 251 I N 0.251 120.803 120.570 -0.030 0.000 2.315 251 I HA -0.247 3.924 4.170 0.001 0.000 0.248 251 I C 2.420 178.531 176.117 -0.008 0.000 1.117 251 I CA 0.840 62.121 61.300 -0.031 0.000 1.404 251 I CB -0.138 37.854 38.000 -0.015 0.000 1.071 251 I HN 0.198 nan 8.210 nan 0.000 0.419 252 Q N 1.373 121.171 119.800 -0.004 0.000 2.167 252 Q HA -0.239 4.101 4.340 0.001 0.000 0.202 252 Q C 1.993 178.013 176.000 0.034 0.000 0.970 252 Q CA 1.660 57.465 55.803 0.004 0.000 0.855 252 Q CB -0.214 28.521 28.738 -0.005 0.000 0.911 252 Q HN 0.475 nan 8.270 nan 0.000 0.438 253 E N -0.540 119.679 120.200 0.032 0.000 2.110 253 E HA -0.169 4.182 4.350 0.001 0.000 0.193 253 E C 1.789 178.450 176.600 0.101 0.000 0.988 253 E CA 1.064 57.502 56.400 0.064 0.000 0.804 253 E CB -0.103 29.622 29.700 0.041 0.000 0.745 253 E HN 0.453 nan 8.360 nan 0.000 0.458 254 L N 0.153 121.397 121.223 0.035 0.000 2.093 254 L HA -0.138 4.202 4.340 0.001 0.000 0.208 254 L C 2.787 179.829 176.870 0.286 0.000 1.085 254 L CA 0.990 55.847 54.840 0.029 0.000 0.755 254 L CB -0.386 41.476 42.059 -0.329 0.000 0.904 254 L HN 0.085 nan 8.230 nan 0.000 0.435 255 R N 0.036 120.666 120.500 0.218 0.000 2.075 255 R HA -0.142 4.199 4.340 0.001 0.000 0.232 255 R C 1.892 178.343 176.300 0.253 0.000 1.126 255 R CA 1.473 57.743 56.100 0.283 0.000 0.963 255 R CB -0.345 29.970 30.300 0.025 0.000 0.858 255 R HN 0.345 nan 8.270 nan 0.000 0.435 256 D N 0.778 121.284 120.400 0.177 0.000 2.117 256 D HA -0.136 4.504 4.640 0.001 0.000 0.197 256 D C 1.899 178.407 176.300 0.346 0.000 0.987 256 D CA 1.069 55.176 54.000 0.179 0.000 0.829 256 D CB -0.192 40.716 40.800 0.180 0.000 0.961 256 D HN 0.200 nan 8.370 nan 0.000 0.460 257 I N 0.350 121.146 120.570 0.377 0.000 2.163 257 I HA -0.243 3.927 4.170 0.001 0.000 0.243 257 I C 2.355 178.674 176.117 0.336 0.000 1.085 257 I CA 0.726 62.256 61.300 0.382 0.000 1.347 257 I CB -0.127 38.106 38.000 0.387 0.000 1.044 257 I HN -0.092 nan 8.210 nan 0.000 0.408 258 V N 0.860 120.989 119.914 0.359 0.000 2.358 258 V HA -0.242 3.879 4.120 0.001 0.000 0.246 258 V C 2.692 178.955 176.094 0.281 0.000 1.047 258 V CA 1.777 64.234 62.300 0.261 0.000 1.035 258 V CB -1.023 30.967 31.823 0.278 0.000 0.658 258 V HN 0.486 nan 8.190 nan 0.000 0.452 259 A N -0.984 122.032 122.820 0.327 0.000 1.940 259 A HA -0.272 4.048 4.320 0.001 0.000 0.219 259 A C 1.948 179.569 177.584 0.061 0.000 1.176 259 A CA 1.939 54.075 52.037 0.165 0.000 0.631 259 A CB -0.923 18.072 19.000 -0.008 0.000 0.814 259 A HN 0.682 nan 8.150 nan 0.000 0.446 260 W N -0.169 121.159 121.300 0.046 0.000 2.374 260 W HA -0.111 4.550 4.660 0.001 0.000 0.288 260 W C 2.017 178.538 176.519 0.004 0.000 1.218 260 W CA 1.048 58.399 57.345 0.009 0.000 1.245 260 W CB 0.140 29.607 29.460 0.012 0.000 1.126 260 W HN 0.162 nan 8.180 nan 0.000 0.545 261 R N -0.010 120.638 120.500 0.247 0.000 2.310 261 R HA 0.160 4.501 4.340 0.001 0.000 0.202 261 R C 0.724 177.073 176.300 0.082 0.000 0.933 261 R CA 0.519 56.698 56.100 0.132 0.000 1.054 261 R CB -0.740 29.598 30.300 0.063 0.000 0.985 261 R HN 0.313 nan 8.270 nan 0.000 0.489 262 L N 0.287 121.558 121.223 0.081 0.000 3.017 262 L HA 0.294 4.635 4.340 0.001 0.000 0.255 262 L C 0.860 177.739 176.870 0.015 0.000 1.247 262 L CA -0.203 54.665 54.840 0.048 0.000 1.038 262 L CB 0.204 42.308 42.059 0.076 0.000 1.380 262 L HN -0.102 nan 8.230 nan 0.000 0.548 263 M N -0.067 119.544 119.600 0.020 0.000 2.495 263 M HA 0.224 4.704 4.480 0.001 0.000 0.237 263 M C 1.223 177.524 176.300 0.002 0.000 1.131 263 M CA 0.054 55.343 55.300 -0.018 0.000 1.032 263 M CB -0.307 32.288 32.600 -0.008 0.000 1.513 263 M HN 0.186 nan 8.290 nan 0.000 0.488 264 G N 1.465 110.280 108.800 0.024 0.000 2.616 264 G HA2 0.163 4.123 3.960 0.001 0.000 0.268 264 G HA3 0.163 4.123 3.960 0.001 0.000 0.268 264 G C 0.699 175.610 174.900 0.018 0.000 1.213 264 G CA -0.357 44.762 45.100 0.032 0.000 0.926 264 G HN 0.446 nan 8.290 nan 0.000 0.523 265 N N -0.245 118.471 118.700 0.027 0.000 2.416 265 N HA -0.096 4.645 4.740 0.001 0.000 0.177 265 N C 1.289 176.811 175.510 0.019 0.000 1.036 265 N CA 1.440 54.504 53.050 0.023 0.000 0.901 265 N CB -0.100 38.407 38.487 0.034 0.000 0.976 265 N HN 0.632 nan 8.380 nan 0.000 0.444 266 D N 1.089 121.500 120.400 0.020 0.000 2.355 266 D HA -0.062 4.578 4.640 0.001 0.000 0.218 266 D C 0.614 176.920 176.300 0.010 0.000 1.004 266 D CA -0.089 53.920 54.000 0.014 0.000 0.880 266 D CB -0.448 40.361 40.800 0.014 0.000 0.911 266 D HN 0.209 nan 8.370 nan 0.000 0.528 267 V N 0.908 120.829 119.914 0.011 0.000 2.694 267 V HA 0.176 4.296 4.120 0.001 0.000 0.306 267 V C 0.852 176.954 176.094 0.013 0.000 1.054 267 V CA -0.222 62.085 62.300 0.011 0.000 1.161 267 V CB 0.211 32.044 31.823 0.016 0.000 0.916 267 V HN 0.258 nan 8.190 nan 0.000 0.490 268 T N 1.180 115.741 114.554 0.012 0.000 2.754 268 T HA 0.237 4.588 4.350 0.001 0.000 0.286 268 T C 0.679 175.395 174.700 0.026 0.000 0.997 268 T CA 0.230 62.338 62.100 0.014 0.000 0.982 268 T CB 0.963 69.835 68.868 0.007 0.000 1.027 268 T HN 0.729 nan 8.240 nan 0.000 0.529 269 D N -0.226 120.190 120.400 0.028 0.000 2.144 269 D HA -0.087 4.554 4.640 0.001 0.000 0.200 269 D C 1.863 178.195 176.300 0.054 0.000 0.978 269 D CA 1.259 55.281 54.000 0.038 0.000 0.833 269 D CB -0.229 40.590 40.800 0.031 0.000 0.961 269 D HN 0.864 nan 8.370 nan 0.000 0.470 270 E N 0.670 120.899 120.200 0.049 0.000 2.077 270 E HA -0.201 4.150 4.350 0.001 0.000 0.193 270 E C 1.933 178.596 176.600 0.105 0.000 0.989 270 E CA 0.918 57.359 56.400 0.068 0.000 0.800 270 E CB 0.126 29.850 29.700 0.040 0.000 0.746 270 E HN 0.289 nan 8.360 nan 0.000 0.452 271 Q N -0.165 119.677 119.800 0.069 0.000 2.079 271 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 271 Q C 2.189 178.283 176.000 0.157 0.000 0.974 271 Q CA 1.294 57.149 55.803 0.086 0.000 0.840 271 Q CB -0.119 28.632 28.738 0.022 0.000 0.898 271 Q HN 0.332 nan 8.270 nan 0.000 0.430 272 A N 1.461 124.343 122.820 0.104 0.000 1.930 272 A HA -0.214 4.107 4.320 0.001 0.000 0.217 272 A C 2.003 179.654 177.584 0.112 0.000 1.175 272 A CA 1.568 53.658 52.037 0.088 0.000 0.627 272 A CB -0.370 18.662 19.000 0.053 0.000 0.815 272 A HN 0.210 nan 8.150 nan 0.000 0.443 273 K N -1.803 118.672 120.400 0.126 0.000 2.057 273 K HA -0.194 4.126 4.320 0.001 0.000 0.206 273 K C 1.879 178.565 176.600 0.143 0.000 1.050 273 K CA 1.460 57.817 56.287 0.117 0.000 0.935 273 K CB -0.320 32.241 32.500 0.102 0.000 0.715 273 K HN 0.622 nan 8.250 nan 0.000 0.439 274 W N 2.165 123.475 121.300 0.018 0.000 2.358 274 W HA -0.153 4.508 4.660 0.001 0.000 0.303 274 W C 2.304 178.831 176.519 0.014 0.000 1.208 274 W CA 1.788 59.144 57.345 0.019 0.000 1.274 274 W CB -0.055 29.416 29.460 0.018 0.000 1.138 274 W HN 0.016 nan 8.180 nan 0.000 0.515 275 R N 0.416 121.121 120.500 0.342 0.000 2.083 275 R HA -0.200 4.140 4.340 0.001 0.000 0.237 275 R C 1.660 177.920 176.300 -0.067 0.000 1.137 275 R CA 2.325 58.522 56.100 0.161 0.000 0.951 275 R CB -0.844 29.541 30.300 0.142 0.000 0.851 275 R HN 0.079 nan 8.270 nan 0.000 0.434 276 D N 0.127 120.527 120.400 -0.001 0.000 2.219 276 D HA -0.149 4.492 4.640 0.001 0.000 0.205 276 D C 1.407 177.756 176.300 0.081 0.000 0.970 276 D CA 1.438 55.492 54.000 0.091 0.000 0.851 276 D CB -0.352 40.594 40.800 0.243 0.000 0.943 276 D HN 0.447 nan 8.370 nan 0.000 0.488 277 D N 0.156 120.510 120.400 -0.077 0.000 2.123 277 D HA -0.057 4.584 4.640 0.001 0.000 0.200 277 D C 1.991 178.149 176.300 -0.236 0.000 0.976 277 D CA 1.382 55.292 54.000 -0.149 0.000 0.831 277 D CB 0.089 40.755 40.800 -0.222 0.000 0.974 277 D HN 0.061 nan 8.370 nan 0.000 0.469 278 A N 0.284 122.849 122.820 -0.424 0.000 1.902 278 A HA -0.106 4.215 4.320 0.001 0.000 0.217 278 A C 2.340 179.796 177.584 -0.213 0.000 1.181 278 A CA 1.207 52.979 52.037 -0.442 0.000 0.623 278 A CB -0.822 17.755 19.000 -0.705 0.000 0.818 278 A HN 0.407 nan 8.150 nan 0.000 0.443 279 I N -0.744 119.734 120.570 -0.153 0.000 2.394 279 I HA -0.227 3.943 4.170 0.001 0.000 0.251 279 I C 2.421 178.584 176.117 0.076 0.000 1.136 279 I CA 0.815 62.060 61.300 -0.092 0.000 1.425 279 I CB -0.312 37.532 38.000 -0.260 0.000 1.079 279 I HN 0.255 nan 8.210 nan 0.000 0.425 280 M N 0.219 119.896 119.600 0.128 0.000 2.213 280 M HA -0.133 4.348 4.480 0.001 0.000 0.263 280 M C 2.007 178.301 176.300 -0.011 0.000 1.062 280 M CA 1.650 56.994 55.300 0.073 0.000 1.105 280 M CB -0.898 31.700 32.600 -0.004 0.000 1.385 280 M HN 0.213 nan 8.290 nan 0.000 0.417 281 R N -0.806 119.666 120.500 -0.047 0.000 2.317 281 R HA 0.153 4.494 4.340 0.001 0.000 0.208 281 R C 0.782 177.055 176.300 -0.044 0.000 0.914 281 R CA -0.095 55.971 56.100 -0.057 0.000 1.060 281 R CB 0.301 30.549 30.300 -0.087 0.000 1.015 281 R HN 0.114 nan 8.270 nan 0.000 0.498 282 S N 0.156 115.834 115.700 -0.037 0.000 2.617 282 S HA 0.095 4.566 4.470 0.001 0.000 0.269 282 S C 0.810 175.403 174.600 -0.011 0.000 1.292 282 S CA -0.393 57.790 58.200 -0.028 0.000 1.010 282 S CB 1.141 64.311 63.200 -0.049 0.000 0.944 282 S HN 0.100 nan 8.310 nan 0.000 0.536 283 Q N 1.219 121.019 119.800 0.001 0.000 2.217 283 Q HA 0.202 4.542 4.340 0.001 0.000 0.217 283 Q C 0.057 176.072 176.000 0.024 0.000 0.844 283 Q CA 0.030 55.840 55.803 0.011 0.000 0.957 283 Q CB 0.516 29.263 28.738 0.016 0.000 1.127 283 Q HN 0.542 nan 8.270 nan 0.000 0.503 284 S N 0.963 116.679 115.700 0.026 0.000 2.430 284 S HA 0.108 4.578 4.470 0.001 0.000 0.282 284 S C 1.058 175.677 174.600 0.031 0.000 1.186 284 S CA -0.059 58.173 58.200 0.054 0.000 1.060 284 S CB 0.585 63.839 63.200 0.089 0.000 0.966 284 S HN 0.177 nan 8.310 nan 0.000 0.501 285 T N 4.182 118.771 114.554 0.057 0.000 2.708 285 T HA -0.151 4.200 4.350 0.001 0.000 0.266 285 T C 2.243 176.980 174.700 0.062 0.000 1.037 285 T CA 1.931 64.062 62.100 0.052 0.000 1.146 285 T CB -0.521 68.397 68.868 0.084 0.000 0.865 285 T HN 0.884 nan 8.240 nan 0.000 0.435 286 S N 1.796 117.581 115.700 0.142 0.000 2.382 286 S HA -0.077 4.394 4.470 0.001 0.000 0.228 286 S C 2.034 176.675 174.600 0.069 0.000 1.027 286 S CA 0.909 59.248 58.200 0.230 0.000 0.991 286 S CB -0.715 62.722 63.200 0.396 0.000 0.823 286 S HN 0.292 nan 8.310 nan 0.000 0.469 287 L N 1.597 122.757 121.223 -0.106 0.000 2.056 287 L HA 0.207 4.547 4.340 0.001 0.000 0.207 287 L C 2.210 178.766 176.870 -0.523 0.000 1.078 287 L CA 1.413 55.843 54.840 -0.683 0.000 0.749 287 L CB -0.673 41.050 42.059 -0.560 0.000 0.901 287 L HN 0.346 nan 8.230 nan 0.000 0.433 288 I N -0.483 119.914 120.570 -0.288 0.000 2.226 288 I HA -0.276 3.894 4.170 0.001 0.000 0.245 288 I C 2.348 178.286 176.117 -0.298 0.000 1.100 288 I CA 1.358 62.505 61.300 -0.255 0.000 1.374 288 I CB -0.369 37.567 38.000 -0.107 0.000 1.057 288 I HN 0.344 nan 8.210 nan 0.000 0.413 289 E N 0.323 120.395 120.200 -0.213 0.000 2.110 289 E HA -0.266 4.085 4.350 0.001 0.000 0.193 289 E C 2.192 178.697 176.600 -0.158 0.000 0.988 289 E CA 0.863 57.161 56.400 -0.170 0.000 0.804 289 E CB -0.085 29.700 29.700 0.140 0.000 0.745 289 E HN 0.223 nan 8.360 nan 0.000 0.458 290 R N 1.385 121.753 120.500 -0.220 0.000 2.096 290 R HA -0.123 4.217 4.340 0.001 0.000 0.235 290 R C 2.100 178.194 176.300 -0.343 0.000 1.127 290 R CA 1.442 57.397 56.100 -0.241 0.000 0.968 290 R CB -0.197 29.848 30.300 -0.425 0.000 0.861 290 R HN -0.091 nan 8.270 nan 0.000 0.440 291 R N -0.212 119.986 120.500 -0.502 0.000 2.092 291 R HA 0.006 4.346 4.340 0.001 0.000 0.231 291 R C 1.935 177.899 176.300 -0.559 0.000 1.119 291 R CA 1.623 57.320 56.100 -0.672 0.000 0.970 291 R CB -0.750 28.895 30.300 -1.092 0.000 0.864 291 R HN 0.182 nan 8.270 nan 0.000 0.440 292 V N 0.845 120.506 119.914 -0.422 0.000 2.343 292 V HA -0.214 3.906 4.120 0.001 0.000 0.247 292 V C 2.320 178.258 176.094 -0.260 0.000 1.051 292 V CA 2.142 64.247 62.300 -0.326 0.000 1.036 292 V CB -0.452 31.049 31.823 -0.536 0.000 0.654 292 V HN 0.340 nan 8.190 nan 0.000 0.451 293 R N -0.653 119.729 120.500 -0.197 0.000 2.120 293 R HA -0.139 4.201 4.340 0.001 0.000 0.234 293 R C 2.302 178.489 176.300 -0.189 0.000 1.123 293 R CA 1.729 57.745 56.100 -0.140 0.000 0.975 293 R CB -0.358 29.902 30.300 -0.067 0.000 0.866 293 R HN 0.517 nan 8.270 nan 0.000 0.446 294 M N 0.262 119.731 119.600 -0.217 0.000 2.175 294 M HA -0.103 4.378 4.480 0.001 0.000 0.264 294 M C 2.149 178.351 176.300 -0.163 0.000 1.063 294 M CA 1.797 56.981 55.300 -0.193 0.000 1.119 294 M CB -0.049 32.413 32.600 -0.229 0.000 1.377 294 M HN 0.185 nan 8.290 nan 0.000 0.415 295 A N 0.715 123.431 122.820 -0.173 0.000 1.898 295 A HA -0.104 4.217 4.320 0.001 0.000 0.216 295 A C 2.012 179.513 177.584 -0.138 0.000 1.181 295 A CA 1.314 53.287 52.037 -0.106 0.000 0.620 295 A CB -0.941 18.035 19.000 -0.040 0.000 0.819 295 A HN 0.592 nan 8.150 nan 0.000 0.442 296 L N -0.780 120.312 121.223 -0.219 0.000 2.093 296 L HA -0.111 4.229 4.340 0.001 0.000 0.208 296 L C 2.618 179.373 176.870 -0.191 0.000 1.085 296 L CA 1.058 55.716 54.840 -0.304 0.000 0.755 296 L CB -0.548 41.234 42.059 -0.461 0.000 0.904 296 L HN 0.508 nan 8.230 nan 0.000 0.435 297 G N -1.446 107.259 108.800 -0.158 0.000 2.744 297 G HA2 -0.137 3.823 3.960 0.001 0.000 0.211 297 G HA3 -0.137 3.823 3.960 0.001 0.000 0.211 297 G C 1.305 176.184 174.900 -0.036 0.000 1.143 297 G CA 1.024 46.061 45.100 -0.106 0.000 0.788 297 G HN 0.459 nan 8.290 nan 0.000 0.534 298 T N -4.416 110.114 114.554 -0.041 0.000 3.043 298 T HA 0.406 4.756 4.350 0.001 0.000 0.272 298 T C 1.603 176.306 174.700 0.004 0.000 0.990 298 T CA 0.855 62.952 62.100 -0.006 0.000 0.897 298 T CB 0.482 69.341 68.868 -0.014 0.000 1.111 298 T HN 1.123 nan 8.240 nan 0.000 0.529 299 G N 2.052 110.846 108.800 -0.009 0.000 2.198 299 G HA2 -0.230 3.730 3.960 0.001 0.000 0.260 299 G HA3 -0.230 3.730 3.960 0.001 0.000 0.260 299 G C -0.238 174.664 174.900 0.003 0.000 1.025 299 G CA 0.089 45.191 45.100 0.005 0.000 0.769 299 G HN 0.693 nan 8.290 nan 0.000 0.507 300 D N 0.065 120.459 120.400 -0.010 0.000 2.435 300 D HA 0.338 4.979 4.640 0.001 0.000 0.230 300 D C 1.901 178.204 176.300 0.005 0.000 1.215 300 D CA -0.732 53.270 54.000 0.005 0.000 0.947 300 D CB 0.399 41.207 40.800 0.013 0.000 1.048 300 D HN 0.165 nan 8.370 nan 0.000 0.512 301 R N 3.078 123.585 120.500 0.012 0.000 2.073 301 R HA -0.057 4.284 4.340 0.001 0.000 0.234 301 R C 1.918 178.223 176.300 0.008 0.000 1.134 301 R CA 0.942 57.052 56.100 0.016 0.000 0.952 301 R CB -0.389 29.924 30.300 0.023 0.000 0.850 301 R HN 0.476 nan 8.270 nan 0.000 0.433 302 R N -0.293 120.208 120.500 0.002 0.000 2.096 302 R HA -0.052 4.288 4.340 0.001 0.000 0.235 302 R C 2.354 178.639 176.300 -0.025 0.000 1.127 302 R CA 1.302 57.391 56.100 -0.018 0.000 0.968 302 R CB -0.510 29.777 30.300 -0.021 0.000 0.861 302 R HN 0.361 nan 8.270 nan 0.000 0.440 303 G N 1.172 109.988 108.800 0.026 0.000 2.408 303 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 303 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 303 G C 1.327 176.311 174.900 0.140 0.000 1.150 303 G CA 0.246 45.419 45.100 0.121 0.000 0.776 303 G HN 0.173 nan 8.290 nan 0.000 0.542 304 L N 1.181 122.434 121.223 0.051 0.000 2.046 304 L HA -0.038 4.302 4.340 0.001 0.000 0.208 304 L C 2.270 179.139 176.870 -0.002 0.000 1.077 304 L CA 2.246 57.095 54.840 0.014 0.000 0.747 304 L CB -0.710 41.334 42.059 -0.024 0.000 0.896 304 L HN 0.311 nan 8.230 nan 0.000 0.432 305 N N -1.409 117.278 118.700 -0.022 0.000 2.084 305 N HA -0.198 4.542 4.740 0.001 0.000 0.190 305 N C 1.557 176.996 175.510 -0.118 0.000 1.030 305 N CA 2.038 55.058 53.050 -0.050 0.000 0.849 305 N CB 0.010 38.468 38.487 -0.048 0.000 1.012 305 N HN 0.450 nan 8.380 nan 0.000 0.423 306 T N -0.172 114.263 114.554 -0.198 0.000 2.674 306 T HA -0.143 4.208 4.350 0.001 0.000 0.265 306 T C 1.383 175.795 174.700 -0.481 0.000 1.039 306 T CA 1.664 63.519 62.100 -0.409 0.000 1.150 306 T CB -0.542 67.942 68.868 -0.641 0.000 0.864 306 T HN 0.456 nan 8.240 nan 0.000 0.427 307 W N 0.890 122.104 121.300 -0.144 0.000 2.436 307 W HA 0.218 4.879 4.660 0.001 0.000 0.284 307 W C 2.188 178.564 176.519 -0.239 0.000 1.225 307 W CA -0.262 56.968 57.345 -0.192 0.000 1.271 307 W CB -0.437 28.894 29.460 -0.216 0.000 1.114 307 W HN 0.119 nan 8.180 nan 0.000 0.559 308 L N 0.300 121.493 121.223 -0.051 0.000 2.083 308 L HA -0.169 4.171 4.340 0.001 0.000 0.209 308 L C 2.367 179.168 176.870 -0.114 0.000 1.083 308 L CA 1.773 56.527 54.840 -0.144 0.000 0.752 308 L CB -1.012 41.005 42.059 -0.070 0.000 0.899 308 L HN 0.064 nan 8.230 nan 0.000 0.433 309 A N -0.757 122.002 122.820 -0.102 0.000 2.066 309 A HA -0.135 4.185 4.320 0.001 0.000 0.218 309 A C 2.021 179.545 177.584 -0.099 0.000 1.157 309 A CA 0.690 52.669 52.037 -0.098 0.000 0.670 309 A CB -0.272 18.658 19.000 -0.117 0.000 0.804 309 A HN 0.302 nan 8.150 nan 0.000 0.453 310 R N -0.407 120.032 120.500 -0.102 0.000 2.276 310 R HA 0.189 4.530 4.340 0.001 0.000 0.203 310 R C 0.197 176.472 176.300 -0.042 0.000 1.017 310 R CA -0.016 56.045 56.100 -0.065 0.000 1.010 310 R CB -0.834 29.463 30.300 -0.004 0.000 0.900 310 R HN 0.457 nan 8.270 nan 0.000 0.469 311 L N 3.992 125.169 121.223 -0.076 0.000 2.453 311 L HA 0.102 4.443 4.340 0.001 0.000 0.272 311 L C -1.728 175.122 176.870 -0.035 0.000 1.182 311 L CA -1.531 53.258 54.840 -0.085 0.000 0.858 311 L CB 0.255 42.209 42.059 -0.175 0.000 1.120 311 L HN -0.138 nan 8.230 nan 0.000 0.474 312 P HA -0.047 nan 4.420 nan 0.000 0.272 312 P C 0.623 177.939 177.300 0.027 0.000 1.223 312 P CA -0.351 62.756 63.100 0.011 0.000 0.784 312 P CB 0.765 32.478 31.700 0.023 0.000 0.923 313 M N 1.412 121.028 119.600 0.026 0.000 2.116 313 M HA -0.302 4.179 4.480 0.001 0.000 0.255 313 M C 1.346 177.681 176.300 0.058 0.000 1.075 313 M CA 2.258 57.580 55.300 0.036 0.000 1.087 313 M CB -0.384 32.233 32.600 0.029 0.000 1.340 313 M HN 0.282 nan 8.290 nan 0.000 0.402 314 E N 0.546 120.782 120.200 0.060 0.000 2.077 314 E HA -0.136 4.214 4.350 0.001 0.000 0.193 314 E C 2.003 178.668 176.600 0.109 0.000 0.989 314 E CA 1.786 58.231 56.400 0.075 0.000 0.800 314 E CB -0.495 29.245 29.700 0.067 0.000 0.746 314 E HN 0.685 nan 8.360 nan 0.000 0.452 315 A N 1.020 123.916 122.820 0.127 0.000 1.972 315 A HA -0.199 4.121 4.320 0.001 0.000 0.219 315 A C 1.794 179.568 177.584 0.316 0.000 1.169 315 A CA 1.381 53.549 52.037 0.218 0.000 0.635 315 A CB -0.328 18.779 19.000 0.179 0.000 0.810 315 A HN 0.087 nan 8.150 nan 0.000 0.446 316 K N -0.001 120.520 120.400 0.201 0.000 2.442 316 K HA -0.098 4.223 4.320 0.001 0.000 0.198 316 K C 1.254 177.965 176.600 0.185 0.000 1.044 316 K CA 0.999 57.411 56.287 0.209 0.000 0.948 316 K CB 0.000 32.566 32.500 0.109 0.000 0.762 316 K HN 0.513 nan 8.250 nan 0.000 0.472 317 E N 1.154 121.442 120.200 0.147 0.000 2.285 317 E HA -0.044 4.306 4.350 0.001 0.000 0.194 317 E C 0.040 176.686 176.600 0.077 0.000 0.997 317 E CA 0.539 56.998 56.400 0.098 0.000 0.845 317 E CB 0.095 29.843 29.700 0.080 0.000 0.782 317 E HN 0.283 nan 8.360 nan 0.000 0.491 318 K N 1.865 122.319 120.400 0.089 0.000 2.448 318 K HA -0.032 4.289 4.320 0.001 0.000 0.278 318 K C 0.569 177.094 176.600 -0.125 0.000 1.009 318 K CA -0.220 56.044 56.287 -0.038 0.000 0.995 318 K CB 0.588 33.010 32.500 -0.132 0.000 0.917 318 K HN -0.146 nan 8.250 nan 0.000 0.481 319 D N 2.685 122.999 120.400 -0.143 0.000 2.133 319 D HA -0.249 4.391 4.640 0.001 0.000 0.192 319 D C 1.855 177.873 176.300 -0.471 0.000 1.001 319 D CA 1.701 55.601 54.000 -0.167 0.000 0.844 319 D CB 0.074 40.848 40.800 -0.044 0.000 0.944 319 D HN 0.696 nan 8.370 nan 0.000 0.447 320 E N 0.241 119.969 120.200 -0.787 0.000 2.058 320 E HA -0.211 4.139 4.350 0.001 0.000 0.194 320 E C 2.324 178.631 176.600 -0.488 0.000 0.997 320 E CA 1.043 56.687 56.400 -1.261 0.000 0.801 320 E CB -1.164 27.842 29.700 -1.156 0.000 0.746 320 E HN 0.560 nan 8.360 nan 0.000 0.450 321 W N 1.304 122.582 121.300 -0.038 0.000 2.467 321 W HA 0.104 4.764 4.660 0.001 0.000 0.275 321 W C 2.759 179.298 176.519 0.033 0.000 1.239 321 W CA -0.008 57.379 57.345 0.070 0.000 1.266 321 W CB -0.009 29.484 29.460 0.055 0.000 1.112 321 W HN 0.001 nan 8.180 nan 0.000 0.576 322 R N -0.450 120.129 120.500 0.133 0.000 2.073 322 R HA -0.164 4.177 4.340 0.001 0.000 0.229 322 R C 2.090 178.392 176.300 0.002 0.000 1.120 322 R CA 1.568 57.708 56.100 0.066 0.000 0.967 322 R CB -0.901 29.418 30.300 0.031 0.000 0.862 322 R HN 0.240 nan 8.270 nan 0.000 0.436 323 Y N -0.031 120.149 120.300 -0.200 0.000 2.145 323 Y HA -0.242 4.308 4.550 0.001 0.000 0.286 323 Y C 1.542 177.271 175.900 -0.285 0.000 1.145 323 Y CA 1.410 59.334 58.100 -0.293 0.000 1.148 323 Y CB -0.293 37.892 38.460 -0.460 0.000 0.981 323 Y HN 0.043 nan 8.280 nan 0.000 0.507 324 W N 0.304 121.638 121.300 0.056 0.000 2.465 324 W HA -0.107 4.554 4.660 0.001 0.000 0.268 324 W C 2.473 178.976 176.519 -0.028 0.000 1.242 324 W CA 0.995 58.370 57.345 0.051 0.000 1.248 324 W CB -0.232 29.392 29.460 0.274 0.000 1.118 324 W HN 0.165 nan 8.180 nan 0.000 0.587 325 Q N 1.009 120.887 119.800 0.130 0.000 2.083 325 Q HA -0.082 4.259 4.340 0.001 0.000 0.198 325 Q C 2.222 178.200 176.000 -0.038 0.000 0.969 325 Q CA 2.286 58.127 55.803 0.064 0.000 0.838 325 Q CB -0.734 28.041 28.738 0.062 0.000 0.900 325 Q HN 0.125 nan 8.270 nan 0.000 0.436 326 A N 0.237 122.968 122.820 -0.147 0.000 1.902 326 A HA -0.208 4.112 4.320 0.001 0.000 0.217 326 A C 1.916 179.351 177.584 -0.249 0.000 1.181 326 A CA 1.853 53.765 52.037 -0.209 0.000 0.623 326 A CB -1.054 17.775 19.000 -0.285 0.000 0.818 326 A HN 0.612 nan 8.150 nan 0.000 0.443 327 D N -0.305 119.867 120.400 -0.380 0.000 2.123 327 D HA -0.146 4.494 4.640 0.001 0.000 0.196 327 D C 1.839 178.119 176.300 -0.034 0.000 0.992 327 D CA 1.410 55.258 54.000 -0.253 0.000 0.833 327 D CB -0.164 40.506 40.800 -0.217 0.000 0.954 327 D HN 0.432 nan 8.370 nan 0.000 0.455 328 L N -0.151 121.087 121.223 0.026 0.000 2.017 328 L HA -0.138 4.202 4.340 0.001 0.000 0.208 328 L C 2.591 179.463 176.870 0.004 0.000 1.073 328 L CA 0.692 55.557 54.840 0.041 0.000 0.745 328 L CB -0.418 41.672 42.059 0.053 0.000 0.894 328 L HN 0.204 nan 8.230 nan 0.000 0.432 329 L N -0.660 120.552 121.223 -0.018 0.000 2.083 329 L HA -0.242 4.099 4.340 0.001 0.000 0.209 329 L C 2.516 179.372 176.870 -0.024 0.000 1.083 329 L CA 1.103 55.930 54.840 -0.022 0.000 0.752 329 L CB -0.391 41.650 42.059 -0.030 0.000 0.899 329 L HN 0.269 nan 8.230 nan 0.000 0.433 330 L N -0.415 120.785 121.223 -0.039 0.000 2.017 330 L HA -0.249 4.091 4.340 0.001 0.000 0.208 330 L C 2.622 179.487 176.870 -0.008 0.000 1.073 330 L CA 1.486 56.307 54.840 -0.030 0.000 0.745 330 L CB -0.429 41.602 42.059 -0.047 0.000 0.894 330 L HN 0.323 nan 8.230 nan 0.000 0.432 331 E N -0.177 120.024 120.200 0.001 0.000 2.204 331 E HA -0.194 4.157 4.350 0.001 0.000 0.195 331 E C 1.975 178.580 176.600 0.008 0.000 0.990 331 E CA 0.616 57.023 56.400 0.013 0.000 0.821 331 E CB 0.242 29.958 29.700 0.027 0.000 0.750 331 E HN 0.230 nan 8.360 nan 0.000 0.477 332 R N -0.667 119.835 120.500 0.003 0.000 2.323 332 R HA 0.036 4.377 4.340 0.001 0.000 0.198 332 R C 1.210 177.509 176.300 -0.001 0.000 0.988 332 R CA 0.805 56.905 56.100 0.000 0.000 1.041 332 R CB 0.071 30.369 30.300 -0.003 0.000 0.926 332 R HN 0.354 nan 8.270 nan 0.000 0.476 333 G N 1.598 110.397 108.800 -0.001 0.000 2.136 333 G HA2 -0.257 3.704 3.960 0.001 0.000 0.242 333 G HA3 -0.257 3.704 3.960 0.001 0.000 0.242 333 G C 0.089 174.988 174.900 -0.002 0.000 0.989 333 G CA -0.127 44.973 45.100 -0.000 0.000 0.682 333 G HN 0.154 nan 8.290 nan 0.000 0.522 334 R N 0.664 121.160 120.500 -0.006 0.000 3.956 334 R HA 0.279 4.620 4.340 0.001 0.000 0.237 334 R C 1.263 177.558 176.300 -0.009 0.000 1.552 334 R CA 0.078 56.175 56.100 -0.006 0.000 1.529 334 R CB 0.205 30.500 30.300 -0.008 0.000 1.376 334 R HN 0.741 nan 8.270 nan 0.000 0.733 335 E N 1.776 121.972 120.200 -0.006 0.000 2.033 335 E HA -0.245 4.105 4.350 0.001 0.000 0.199 335 E C 1.523 178.121 176.600 -0.003 0.000 1.011 335 E CA 1.779 58.175 56.400 -0.007 0.000 0.815 335 E CB 0.227 29.928 29.700 0.002 0.000 0.755 335 E HN 0.464 nan 8.360 nan 0.000 0.451 336 A N 1.137 123.961 122.820 0.007 0.000 1.873 336 A HA -0.294 4.026 4.320 0.001 0.000 0.218 336 A C 2.110 179.702 177.584 0.014 0.000 1.193 336 A CA 2.015 54.062 52.037 0.017 0.000 0.629 336 A CB -0.791 18.220 19.000 0.018 0.000 0.826 336 A HN 0.506 nan 8.150 nan 0.000 0.447 337 E N -0.439 119.764 120.200 0.005 0.000 2.077 337 E HA -0.120 4.231 4.350 0.001 0.000 0.193 337 E C 2.185 178.779 176.600 -0.011 0.000 0.989 337 E CA 1.045 57.446 56.400 0.001 0.000 0.800 337 E CB -0.258 29.441 29.700 -0.002 0.000 0.746 337 E HN 0.551 nan 8.360 nan 0.000 0.452 338 A N 1.319 124.122 122.820 -0.027 0.000 1.877 338 A HA -0.189 4.131 4.320 0.001 0.000 0.216 338 A C 2.021 179.561 177.584 -0.073 0.000 1.186 338 A CA 1.669 53.671 52.037 -0.058 0.000 0.620 338 A CB -0.364 18.594 19.000 -0.070 0.000 0.822 338 A HN 0.132 nan 8.150 nan 0.000 0.443 339 K N -0.728 119.633 120.400 -0.067 0.000 2.283 339 K HA -0.127 4.193 4.320 0.001 0.000 0.202 339 K C 1.923 178.482 176.600 -0.069 0.000 1.048 339 K CA 1.226 57.437 56.287 -0.127 0.000 0.948 339 K CB 0.022 32.460 32.500 -0.104 0.000 0.742 339 K HN 0.494 nan 8.250 nan 0.000 0.458 340 E N 1.560 121.780 120.200 0.033 0.000 2.107 340 E HA -0.074 4.277 4.350 0.001 0.000 0.191 340 E C 1.632 178.269 176.600 0.061 0.000 0.982 340 E CA 0.964 57.421 56.400 0.096 0.000 0.809 340 E CB -0.065 29.675 29.700 0.067 0.000 0.756 340 E HN 0.217 nan 8.360 nan 0.000 0.459 341 I N 0.244 120.821 120.570 0.013 0.000 2.179 341 I HA -0.262 3.909 4.170 0.001 0.000 0.242 341 I C 2.265 178.388 176.117 0.010 0.000 1.088 341 I CA 0.895 62.200 61.300 0.010 0.000 1.357 341 I CB -0.273 37.717 38.000 -0.016 0.000 1.051 341 I HN 0.151 nan 8.210 nan 0.000 0.409 342 L N -0.276 120.922 121.223 -0.043 0.000 2.046 342 L HA -0.247 4.093 4.340 0.001 0.000 0.208 342 L C 2.542 179.399 176.870 -0.022 0.000 1.077 342 L CA 1.670 56.480 54.840 -0.050 0.000 0.747 342 L CB -0.944 41.032 42.059 -0.138 0.000 0.896 342 L HN 0.323 nan 8.230 nan 0.000 0.432 343 H N -0.974 118.114 119.070 0.029 0.000 2.423 343 H HA -0.131 4.425 4.556 0.001 0.000 0.297 343 H C 2.400 177.744 175.328 0.027 0.000 1.075 343 H CA 0.838 56.900 56.048 0.023 0.000 1.342 343 H CB 0.271 30.039 29.762 0.010 0.000 1.395 343 H HN 0.307 nan 8.280 nan 0.000 0.530 344 Q N 0.394 120.280 119.800 0.142 0.000 2.119 344 Q HA -0.103 4.238 4.340 0.001 0.000 0.201 344 Q C 2.470 178.525 176.000 0.092 0.000 0.972 344 Q CA 0.791 56.651 55.803 0.095 0.000 0.847 344 Q CB -0.108 28.673 28.738 0.072 0.000 0.903 344 Q HN 0.535 nan 8.270 nan 0.000 0.433 345 L N -0.009 121.270 121.223 0.093 0.000 2.056 345 L HA -0.135 4.205 4.340 0.001 0.000 0.207 345 L C 2.476 179.427 176.870 0.136 0.000 1.078 345 L CA 0.865 55.767 54.840 0.103 0.000 0.749 345 L CB -0.320 41.802 42.059 0.105 0.000 0.901 345 L HN 0.235 nan 8.230 nan 0.000 0.433 346 M N -1.065 118.622 119.600 0.144 0.000 2.346 346 M HA -0.206 4.274 4.480 0.001 0.000 0.263 346 M C 2.020 178.394 176.300 0.124 0.000 1.064 346 M CA 1.282 56.694 55.300 0.187 0.000 1.083 346 M CB -0.172 32.523 32.600 0.159 0.000 1.399 346 M HN 0.243 nan 8.290 nan 0.000 0.435 347 Q N 0.258 120.110 119.800 0.087 0.000 2.378 347 Q HA 0.042 4.383 4.340 0.001 0.000 0.205 347 Q C 0.437 176.478 176.000 0.068 0.000 0.954 347 Q CA 0.776 56.603 55.803 0.039 0.000 0.901 347 Q CB -0.043 28.717 28.738 0.037 0.000 0.981 347 Q HN 0.629 nan 8.270 nan 0.000 0.483 348 Q N -0.018 119.856 119.800 0.125 0.000 2.171 348 Q HA 0.397 4.737 4.340 0.001 0.000 0.217 348 Q C -0.149 175.985 176.000 0.224 0.000 0.995 348 Q CA -0.600 55.289 55.803 0.143 0.000 0.979 348 Q CB 1.338 30.148 28.738 0.121 0.000 1.152 348 Q HN -0.057 nan 8.270 nan 0.000 0.525 349 R N -0.486 120.134 120.500 0.201 0.000 2.460 349 R HA 0.626 4.966 4.340 0.001 0.000 0.303 349 R C -0.634 175.769 176.300 0.172 0.000 0.968 349 R CA 0.319 56.568 56.100 0.248 0.000 0.889 349 R CB 0.865 31.306 30.300 0.236 0.000 1.123 349 R HN 0.817 nan 8.270 nan 0.000 0.455 350 G N 2.524 111.398 108.800 0.124 0.000 2.347 350 G HA2 -0.170 3.790 3.960 0.001 0.000 0.341 350 G HA3 -0.170 3.790 3.960 0.001 0.000 0.341 350 G C -0.380 174.466 174.900 -0.090 0.000 1.287 350 G CA -0.279 44.852 45.100 0.052 0.000 0.984 350 G HN 0.529 nan 8.290 nan 0.000 0.526 351 F N 0.088 119.908 119.950 -0.216 0.000 2.026 351 F HA -0.032 4.496 4.527 0.001 0.000 0.296 351 F C 2.568 178.127 175.800 -0.402 0.000 1.133 351 F CA 2.791 60.580 58.000 -0.352 0.000 1.188 351 F CB -0.444 38.329 39.000 -0.378 0.000 0.968 351 F HN 0.459 nan 8.300 nan 0.000 0.476 352 Y N 0.216 120.403 120.300 -0.189 0.000 2.181 352 Y HA -0.112 4.438 4.550 0.001 0.000 0.288 352 Y C -0.500 175.217 175.900 -0.305 0.000 1.146 352 Y CA 1.815 59.711 58.100 -0.340 0.000 1.164 352 Y CB -2.189 36.186 38.460 -0.141 0.000 0.982 352 Y HN 0.140 nan 8.280 nan 0.000 0.515 353 P HA -0.200 nan 4.420 nan 0.000 0.216 353 P C 1.455 178.645 177.300 -0.184 0.000 1.150 353 P CA 1.984 65.080 63.100 -0.006 0.000 0.837 353 P CB -0.119 31.644 31.700 0.105 0.000 0.786 354 M N -1.989 117.292 119.600 -0.533 0.000 2.288 354 M HA -0.082 4.399 4.480 0.001 0.000 0.266 354 M C 1.912 177.906 176.300 -0.511 0.000 1.072 354 M CA 1.232 56.117 55.300 -0.692 0.000 1.132 354 M CB -0.737 31.357 32.600 -0.843 0.000 1.386 354 M HN -0.216 nan 8.290 nan 0.000 0.432 355 V N 0.703 120.238 119.914 -0.632 0.000 2.343 355 V HA -0.246 3.875 4.120 0.001 0.000 0.247 355 V C 2.702 178.657 176.094 -0.232 0.000 1.051 355 V CA 2.032 64.001 62.300 -0.552 0.000 1.036 355 V CB -1.153 30.096 31.823 -0.957 0.000 0.654 355 V HN 0.507 nan 8.190 nan 0.000 0.451 356 A N 0.071 122.809 122.820 -0.137 0.000 1.908 356 A HA -0.195 4.126 4.320 0.001 0.000 0.218 356 A C 2.436 180.021 177.584 0.001 0.000 1.181 356 A CA 2.358 54.429 52.037 0.057 0.000 0.627 356 A CB -0.844 18.210 19.000 0.091 0.000 0.818 356 A HN 0.585 nan 8.150 nan 0.000 0.445 357 A N -0.994 121.806 122.820 -0.033 0.000 1.877 357 A HA -0.230 4.091 4.320 0.001 0.000 0.216 357 A C 2.212 179.719 177.584 -0.128 0.000 1.186 357 A CA 1.909 53.932 52.037 -0.023 0.000 0.620 357 A CB -0.623 18.420 19.000 0.072 0.000 0.822 357 A HN 0.655 nan 8.150 nan 0.000 0.443 358 Q N -1.005 118.634 119.800 -0.268 0.000 2.167 358 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 358 Q C 2.223 177.963 176.000 -0.434 0.000 0.970 358 Q CA 1.647 57.141 55.803 -0.515 0.000 0.855 358 Q CB -0.069 28.113 28.738 -0.927 0.000 0.911 358 Q HN 0.504 nan 8.270 nan 0.000 0.438 359 R N 1.077 121.518 120.500 -0.097 0.000 2.081 359 R HA -0.122 4.219 4.340 0.001 0.000 0.235 359 R C 1.867 178.217 176.300 0.084 0.000 1.131 359 R CA 1.870 58.106 56.100 0.227 0.000 0.960 359 R CB -0.490 30.017 30.300 0.346 0.000 0.856 359 R HN 0.583 nan 8.270 nan 0.000 0.436 360 I N -3.466 117.100 120.570 -0.006 0.000 3.875 360 I HA 0.420 4.590 4.170 0.001 0.000 0.329 360 I C 0.732 176.830 176.117 -0.031 0.000 1.295 360 I CA 0.440 61.724 61.300 -0.026 0.000 1.129 360 I CB 0.059 38.010 38.000 -0.083 0.000 1.008 360 I HN 0.263 nan 8.210 nan 0.000 0.413 361 G N 1.547 110.304 108.800 -0.071 0.000 2.160 361 G HA2 -0.268 3.693 3.960 0.001 0.000 0.251 361 G HA3 -0.268 3.693 3.960 0.001 0.000 0.251 361 G C -0.209 174.659 174.900 -0.054 0.000 1.008 361 G CA 0.227 45.280 45.100 -0.079 0.000 0.724 361 G HN 0.672 nan 8.290 nan 0.000 0.514 362 E N -0.223 119.953 120.200 -0.040 0.000 2.202 362 E HA 0.448 4.798 4.350 0.001 0.000 0.272 362 E C 0.068 176.656 176.600 -0.019 0.000 0.951 362 E CA -0.758 55.637 56.400 -0.009 0.000 0.813 362 E CB 1.418 31.146 29.700 0.046 0.000 1.151 362 E HN 0.374 nan 8.360 nan 0.000 0.398 363 E N 2.238 122.429 120.200 -0.016 0.000 2.344 363 E HA -0.028 4.323 4.350 0.001 0.000 0.270 363 E C -1.244 175.363 176.600 0.011 0.000 1.021 363 E CA -0.243 56.151 56.400 -0.010 0.000 0.887 363 E CB 0.498 30.187 29.700 -0.018 0.000 0.997 363 E HN 0.415 nan 8.360 nan 0.000 0.429 364 Y N 3.790 124.040 120.300 -0.084 0.000 2.377 364 Y HA 0.080 4.630 4.550 0.001 0.000 0.330 364 Y C -0.435 175.417 175.900 -0.080 0.000 1.108 364 Y CA 0.021 58.072 58.100 -0.082 0.000 1.308 364 Y CB 0.729 39.124 38.460 -0.108 0.000 1.216 364 Y HN 0.497 nan 8.280 nan 0.000 0.518 365 E N 6.907 126.629 120.200 -0.797 0.000 2.115 365 E HA 0.246 4.597 4.350 0.001 0.000 0.282 365 E C -0.994 175.135 176.600 -0.785 0.000 0.987 365 E CA -0.461 55.581 56.400 -0.597 0.000 0.797 365 E CB 0.935 30.409 29.700 -0.376 0.000 1.086 365 E HN 0.630 nan 8.360 nan 0.000 0.397 366 L N 3.882 124.825 121.223 -0.467 0.000 2.361 366 L HA 0.160 4.501 4.340 0.001 0.000 0.278 366 L C 0.448 177.155 176.870 -0.272 0.000 1.113 366 L CA -0.068 54.581 54.840 -0.319 0.000 0.849 366 L CB 0.409 42.185 42.059 -0.471 0.000 1.155 366 L HN 0.341 nan 8.230 nan 0.000 0.452 367 K N 5.579 125.878 120.400 -0.169 0.000 2.285 367 K HA 0.439 4.760 4.320 0.001 0.000 0.286 367 K C -0.840 175.700 176.600 -0.100 0.000 1.072 367 K CA -0.301 55.916 56.287 -0.117 0.000 0.913 367 K CB 0.489 32.954 32.500 -0.058 0.000 1.067 367 K HN 0.520 nan 8.250 nan 0.000 0.479 368 I N 4.472 124.978 120.570 -0.108 0.000 2.420 368 I HA 0.152 4.323 4.170 0.001 0.000 0.282 368 I C -0.808 175.230 176.117 -0.132 0.000 1.019 368 I CA -1.015 60.232 61.300 -0.088 0.000 1.130 368 I CB 1.551 39.530 38.000 -0.036 0.000 1.262 368 I HN 0.544 nan 8.210 nan 0.000 0.454 369 D N 6.824 127.085 120.400 -0.232 0.000 2.304 369 D HA 0.273 4.914 4.640 0.001 0.000 0.250 369 D C -0.050 175.904 176.300 -0.576 0.000 1.107 369 D CA -0.114 53.647 54.000 -0.398 0.000 0.885 369 D CB 1.320 41.804 40.800 -0.527 0.000 1.192 369 D HN 0.324 nan 8.370 nan 0.000 0.436 370 K N 0.960 121.154 120.400 -0.343 0.000 2.118 370 K HA 0.641 4.962 4.320 0.001 0.000 0.267 370 K C 0.012 176.552 176.600 -0.100 0.000 0.991 370 K CA -0.807 55.355 56.287 -0.207 0.000 0.916 370 K CB 1.592 34.038 32.500 -0.090 0.000 1.041 370 K HN 0.429 nan 8.250 nan 0.000 0.455 371 A N 3.424 126.272 122.820 0.048 0.000 2.327 371 A HA 0.326 4.647 4.320 0.001 0.000 0.255 371 A C -2.168 175.458 177.584 0.069 0.000 1.099 371 A CA -1.106 51.026 52.037 0.158 0.000 0.801 371 A CB -0.487 18.585 19.000 0.120 0.000 1.062 371 A HN 0.459 nan 8.150 nan 0.000 0.496 372 P HA 0.073 nan 4.420 nan 0.000 0.269 372 P C 0.474 177.793 177.300 0.031 0.000 1.215 372 P CA -0.220 62.902 63.100 0.037 0.000 0.780 372 P CB 0.441 32.159 31.700 0.030 0.000 0.898 373 Q N 0.606 120.419 119.800 0.021 0.000 2.124 373 Q HA -0.065 4.275 4.340 0.001 0.000 0.202 373 Q C 0.084 176.100 176.000 0.026 0.000 0.977 373 Q CA 1.500 57.316 55.803 0.020 0.000 0.850 373 Q CB -0.288 28.458 28.738 0.013 0.000 0.901 373 Q HN 0.532 nan 8.270 nan 0.000 0.429 374 N N 0.742 119.457 118.700 0.025 0.000 2.437 374 N HA 0.107 4.848 4.740 0.001 0.000 0.259 374 N C 0.675 176.207 175.510 0.037 0.000 0.983 374 N CA 0.038 53.105 53.050 0.028 0.000 0.937 374 N CB 2.136 40.633 38.487 0.016 0.000 1.122 374 N HN -0.037 nan 8.380 nan 0.000 0.499 375 V N -1.667 118.285 119.914 0.063 0.000 3.660 375 V HA 0.201 4.322 4.120 0.001 0.000 0.276 375 V C 0.140 176.265 176.094 0.052 0.000 1.317 375 V CA 0.217 62.569 62.300 0.086 0.000 1.097 375 V CB 0.051 31.978 31.823 0.174 0.000 0.863 375 V HN 0.278 nan 8.190 nan 0.000 0.438 376 D N 3.342 123.764 120.400 0.037 0.000 2.336 376 D HA 0.466 5.106 4.640 0.001 0.000 0.249 376 D C 0.501 176.776 176.300 -0.042 0.000 1.213 376 D CA 0.698 54.691 54.000 -0.010 0.000 0.870 376 D CB 1.491 42.301 40.800 0.018 0.000 1.076 376 D HN 0.700 nan 8.370 nan 0.000 0.483 377 S N 0.144 115.792 115.700 -0.086 0.000 2.810 377 S HA 0.672 5.142 4.470 0.001 0.000 0.315 377 S C 1.087 175.634 174.600 -0.088 0.000 1.138 377 S CA -0.639 57.515 58.200 -0.077 0.000 0.889 377 S CB 1.528 64.677 63.200 -0.084 0.000 1.236 377 S HN 0.238 nan 8.310 nan 0.000 0.548 378 A N 0.008 122.783 122.820 -0.075 0.000 2.015 378 A HA 0.152 4.472 4.320 0.001 0.000 0.219 378 A C 1.938 179.469 177.584 -0.088 0.000 1.163 378 A CA 0.926 52.922 52.037 -0.069 0.000 0.646 378 A CB -1.159 17.807 19.000 -0.057 0.000 0.806 378 A HN 0.726 nan 8.150 nan 0.000 0.448 379 L N -0.102 121.054 121.223 -0.111 0.000 2.201 379 L HA -0.114 4.226 4.340 0.001 0.000 0.212 379 L C 2.667 179.439 176.870 -0.164 0.000 1.105 379 L CA 1.653 56.414 54.840 -0.131 0.000 0.775 379 L CB -0.658 41.311 42.059 -0.151 0.000 0.913 379 L HN 0.628 nan 8.230 nan 0.000 0.440 380 T N -4.537 109.877 114.554 -0.232 0.000 3.100 380 T HA -0.017 4.334 4.350 0.001 0.000 0.253 380 T C 1.408 175.988 174.700 -0.200 0.000 1.118 380 T CA 0.239 62.106 62.100 -0.389 0.000 1.058 380 T CB 0.174 68.579 68.868 -0.773 0.000 0.953 380 T HN 0.357 nan 8.240 nan 0.000 0.515 381 Q N 0.407 120.142 119.800 -0.109 0.000 2.217 381 Q HA 0.384 4.725 4.340 0.001 0.000 0.217 381 Q C 1.106 177.089 176.000 -0.028 0.000 0.844 381 Q CA -0.408 55.367 55.803 -0.047 0.000 0.957 381 Q CB 1.025 29.740 28.738 -0.039 0.000 1.127 381 Q HN 0.611 nan 8.270 nan 0.000 0.503 382 G N 1.308 110.087 108.800 -0.036 0.000 2.543 382 G HA2 0.189 4.150 3.960 0.001 0.000 0.290 382 G HA3 0.189 4.150 3.960 0.001 0.000 0.290 382 G C -1.714 173.180 174.900 -0.010 0.000 1.310 382 G CA -0.982 44.103 45.100 -0.026 0.000 1.025 382 G HN -0.103 nan 8.290 nan 0.000 0.502 383 P HA -0.104 nan 4.420 nan 0.000 0.217 383 P C 1.248 178.548 177.300 0.001 0.000 1.150 383 P CA 1.226 64.320 63.100 -0.009 0.000 0.832 383 P CB 0.283 31.974 31.700 -0.015 0.000 0.787 384 E N -0.744 119.456 120.200 -0.001 0.000 2.110 384 E HA -0.183 4.168 4.350 0.001 0.000 0.193 384 E C 2.073 178.708 176.600 0.058 0.000 0.988 384 E CA 0.962 57.373 56.400 0.019 0.000 0.804 384 E CB -0.372 29.328 29.700 0.000 0.000 0.745 384 E HN -0.054 nan 8.360 nan 0.000 0.458 385 M N 0.594 120.234 119.600 0.066 0.000 2.175 385 M HA -0.024 4.456 4.480 0.001 0.000 0.264 385 M C 1.976 178.356 176.300 0.133 0.000 1.063 385 M CA 1.782 57.171 55.300 0.148 0.000 1.119 385 M CB -0.346 32.327 32.600 0.121 0.000 1.377 385 M HN 0.169 nan 8.290 nan 0.000 0.415 386 A N 0.125 122.986 122.820 0.068 0.000 1.933 386 A HA -0.181 4.140 4.320 0.001 0.000 0.218 386 A C 2.279 179.847 177.584 -0.025 0.000 1.175 386 A CA 1.788 53.841 52.037 0.027 0.000 0.628 386 A CB -0.630 18.364 19.000 -0.011 0.000 0.814 386 A HN 0.598 nan 8.150 nan 0.000 0.444 387 R N -0.791 119.702 120.500 -0.012 0.000 2.075 387 R HA -0.052 4.289 4.340 0.001 0.000 0.232 387 R C 2.044 178.320 176.300 -0.041 0.000 1.126 387 R CA 1.338 57.426 56.100 -0.020 0.000 0.963 387 R CB -0.601 29.744 30.300 0.074 0.000 0.858 387 R HN 0.393 nan 8.270 nan 0.000 0.435 388 V N 1.327 121.227 119.914 -0.023 0.000 2.332 388 V HA -0.288 3.832 4.120 0.001 0.000 0.248 388 V C 2.545 178.425 176.094 -0.356 0.000 1.055 388 V CA 1.902 64.113 62.300 -0.149 0.000 1.038 388 V CB -0.599 31.204 31.823 -0.034 0.000 0.651 388 V HN 0.336 nan 8.190 nan 0.000 0.450 389 R N -0.112 120.287 120.500 -0.168 0.000 2.083 389 R HA -0.186 4.155 4.340 0.001 0.000 0.237 389 R C 2.316 178.559 176.300 -0.095 0.000 1.137 389 R CA 1.743 57.806 56.100 -0.061 0.000 0.951 389 R CB -0.152 30.258 30.300 0.183 0.000 0.851 389 R HN 0.475 nan 8.270 nan 0.000 0.434 390 E N 0.802 120.946 120.200 -0.095 0.000 2.072 390 E HA -0.163 4.188 4.350 0.001 0.000 0.191 390 E C 2.145 178.773 176.600 0.045 0.000 0.985 390 E CA 0.964 57.334 56.400 -0.049 0.000 0.801 390 E CB -0.269 29.366 29.700 -0.108 0.000 0.750 390 E HN 0.412 nan 8.360 nan 0.000 0.452 391 L N 0.154 121.358 121.223 -0.032 0.000 2.046 391 L HA -0.176 4.165 4.340 0.001 0.000 0.208 391 L C 2.502 179.330 176.870 -0.071 0.000 1.077 391 L CA 0.909 55.738 54.840 -0.018 0.000 0.747 391 L CB -0.414 41.572 42.059 -0.123 0.000 0.896 391 L HN 0.146 nan 8.230 nan 0.000 0.432 392 M N -1.474 117.969 119.600 -0.262 0.000 2.200 392 M HA -0.204 4.276 4.480 0.001 0.000 0.265 392 M C 2.337 178.545 176.300 -0.153 0.000 1.066 392 M CA 1.564 56.658 55.300 -0.343 0.000 1.127 392 M CB -1.099 30.978 32.600 -0.872 0.000 1.379 392 M HN 0.201 nan 8.290 nan 0.000 0.420 393 Y N -0.586 119.564 120.300 -0.251 0.000 2.224 393 Y HA -0.228 4.322 4.550 0.001 0.000 0.289 393 Y C 1.464 177.159 175.900 -0.341 0.000 1.146 393 Y CA 1.568 59.469 58.100 -0.333 0.000 1.182 393 Y CB -0.477 37.674 38.460 -0.515 0.000 0.983 393 Y HN 0.191 nan 8.280 nan 0.000 0.524 394 W N 1.163 122.454 121.300 -0.015 0.000 3.345 394 W HA 0.139 4.800 4.660 0.001 0.000 0.282 394 W C 0.316 176.788 176.519 -0.078 0.000 1.302 394 W CA 0.207 57.520 57.345 -0.054 0.000 1.724 394 W CB -0.118 29.393 29.460 0.085 0.000 1.104 394 W HN 0.005 nan 8.180 nan 0.000 0.694 395 N N 0.576 119.309 118.700 0.055 0.000 2.754 395 N HA -0.198 4.542 4.740 0.001 0.000 0.248 395 N C -0.619 174.921 175.510 0.051 0.000 1.093 395 N CA 0.994 54.063 53.050 0.031 0.000 0.699 395 N CB -1.796 36.714 38.487 0.039 0.000 1.016 395 N HN 0.281 nan 8.380 nan 0.000 0.552 396 L N 0.471 121.723 121.223 0.048 0.000 2.598 396 L HA 0.163 4.503 4.340 0.001 0.000 0.241 396 L C 0.982 177.838 176.870 -0.022 0.000 1.244 396 L CA -0.451 54.402 54.840 0.022 0.000 1.198 396 L CB 0.245 42.318 42.059 0.022 0.000 1.448 396 L HN -0.089 nan 8.230 nan 0.000 0.406 397 D N -0.146 120.247 120.400 -0.011 0.000 2.149 397 D HA -0.173 4.467 4.640 0.001 0.000 0.198 397 D C 1.742 178.042 176.300 -0.002 0.000 0.990 397 D CA 1.150 55.137 54.000 -0.021 0.000 0.839 397 D CB 0.167 40.982 40.800 0.026 0.000 0.948 397 D HN 0.348 nan 8.370 nan 0.000 0.460 398 N N -0.310 118.401 118.700 0.018 0.000 2.188 398 N HA -0.069 4.671 4.740 0.001 0.000 0.184 398 N C 1.690 177.217 175.510 0.029 0.000 1.018 398 N CA 1.052 54.121 53.050 0.032 0.000 0.858 398 N CB -0.418 38.091 38.487 0.036 0.000 0.989 398 N HN 0.183 nan 8.380 nan 0.000 0.426 399 T N 0.918 115.476 114.554 0.007 0.000 2.857 399 T HA 0.027 4.378 4.350 0.001 0.000 0.266 399 T C 2.002 176.712 174.700 0.016 0.000 1.048 399 T CA 1.140 63.245 62.100 0.008 0.000 1.139 399 T CB -0.210 68.619 68.868 -0.065 0.000 0.874 399 T HN 0.297 nan 8.240 nan 0.000 0.455 400 A N 1.794 124.596 122.820 -0.030 0.000 1.930 400 A HA -0.056 4.264 4.320 0.001 0.000 0.217 400 A C 2.288 179.891 177.584 0.031 0.000 1.175 400 A CA 1.554 53.559 52.037 -0.053 0.000 0.627 400 A CB -0.577 18.309 19.000 -0.191 0.000 0.815 400 A HN 0.420 nan 8.150 nan 0.000 0.443 401 R N -0.032 120.494 120.500 0.043 0.000 2.105 401 R HA -0.122 4.219 4.340 0.001 0.000 0.239 401 R C 2.103 178.499 176.300 0.160 0.000 1.135 401 R CA 1.913 58.083 56.100 0.116 0.000 0.967 401 R CB -0.298 30.059 30.300 0.094 0.000 0.861 401 R HN 0.464 nan 8.270 nan 0.000 0.442 402 S N 0.609 116.378 115.700 0.114 0.000 2.383 402 S HA -0.078 4.393 4.470 0.001 0.000 0.227 402 S C 1.562 176.229 174.600 0.111 0.000 1.026 402 S CA 1.017 59.278 58.200 0.102 0.000 0.981 402 S CB -0.072 63.176 63.200 0.081 0.000 0.818 402 S HN 0.392 nan 8.310 nan 0.000 0.472 403 E N 0.336 120.617 120.200 0.135 0.000 2.047 403 E HA -0.120 4.230 4.350 0.001 0.000 0.191 403 E C 1.767 178.472 176.600 0.176 0.000 0.987 403 E CA 0.595 57.076 56.400 0.135 0.000 0.799 403 E CB -0.289 29.497 29.700 0.142 0.000 0.752 403 E HN 0.670 nan 8.360 nan 0.000 0.449 404 W N 1.381 122.679 121.300 -0.004 0.000 2.363 404 W HA -0.192 4.469 4.660 0.001 0.000 0.296 404 W C 2.149 178.677 176.519 0.015 0.000 1.212 404 W CA 1.543 58.894 57.345 0.009 0.000 1.260 404 W CB 0.039 29.509 29.460 0.016 0.000 1.131 404 W HN 0.040 nan 8.180 nan 0.000 0.530 405 A N 0.946 123.851 122.820 0.142 0.000 1.908 405 A HA -0.277 4.044 4.320 0.001 0.000 0.218 405 A C 1.700 179.253 177.584 -0.053 0.000 1.181 405 A CA 2.021 54.078 52.037 0.033 0.000 0.627 405 A CB -1.086 17.957 19.000 0.072 0.000 0.818 405 A HN 0.333 nan 8.150 nan 0.000 0.445 406 N N -0.429 118.249 118.700 -0.036 0.000 2.188 406 N HA -0.090 4.650 4.740 0.001 0.000 0.184 406 N C 1.509 176.946 175.510 -0.122 0.000 1.018 406 N CA 1.166 54.178 53.050 -0.063 0.000 0.858 406 N CB -0.514 37.950 38.487 -0.038 0.000 0.989 406 N HN 0.365 nan 8.380 nan 0.000 0.426 407 L N 0.950 122.070 121.223 -0.171 0.000 2.093 407 L HA -0.060 4.280 4.340 0.001 0.000 0.208 407 L C 1.995 178.647 176.870 -0.364 0.000 1.085 407 L CA 1.185 55.865 54.840 -0.266 0.000 0.755 407 L CB -0.507 41.361 42.059 -0.318 0.000 0.904 407 L HN 0.144 nan 8.230 nan 0.000 0.435 408 V N -3.427 116.215 119.914 -0.454 0.000 3.406 408 V HA 0.032 4.152 4.120 0.001 0.000 0.263 408 V C 1.283 177.241 176.094 -0.226 0.000 1.172 408 V CA -0.004 62.056 62.300 -0.399 0.000 1.140 408 V CB -0.951 30.585 31.823 -0.477 0.000 0.784 408 V HN 0.292 nan 8.190 nan 0.000 0.467 409 K N 1.033 121.329 120.400 -0.173 0.000 2.350 409 K HA 0.224 4.544 4.320 0.001 0.000 0.279 409 K C 0.785 177.325 176.600 -0.100 0.000 1.027 409 K CA 0.872 57.093 56.287 -0.110 0.000 0.969 409 K CB 0.465 32.918 32.500 -0.079 0.000 0.954 409 K HN 0.496 nan 8.250 nan 0.000 0.474 410 S N 1.202 116.855 115.700 -0.080 0.000 3.561 410 S HA -0.117 4.354 4.470 0.001 0.000 0.318 410 S C -0.559 173.993 174.600 -0.079 0.000 1.181 410 S CA 1.005 59.164 58.200 -0.069 0.000 0.916 410 S CB -0.981 62.184 63.200 -0.058 0.000 0.966 410 S HN 0.605 nan 8.310 nan 0.000 0.550 411 K N 1.810 122.151 120.400 -0.098 0.000 2.139 411 K HA 0.610 4.931 4.320 0.001 0.000 0.243 411 K C 0.774 177.319 176.600 -0.093 0.000 0.983 411 K CA -0.404 55.821 56.287 -0.103 0.000 0.890 411 K CB 1.097 33.516 32.500 -0.136 0.000 1.090 411 K HN 0.387 nan 8.250 nan 0.000 0.445 412 S N 0.127 115.777 115.700 -0.083 0.000 2.600 412 S HA 0.137 4.607 4.470 0.001 0.000 0.265 412 S C 1.090 175.637 174.600 -0.089 0.000 1.325 412 S CA -0.289 57.867 58.200 -0.073 0.000 1.002 412 S CB 0.947 64.111 63.200 -0.059 0.000 0.921 412 S HN 0.482 nan 8.310 nan 0.000 0.554 413 K N 0.378 120.727 120.400 -0.085 0.000 2.097 413 K HA -0.099 4.222 4.320 0.001 0.000 0.206 413 K C 2.139 178.675 176.600 -0.107 0.000 1.049 413 K CA 1.720 57.942 56.287 -0.109 0.000 0.933 413 K CB -0.737 31.707 32.500 -0.094 0.000 0.717 413 K HN 0.742 nan 8.250 nan 0.000 0.442 414 T N 1.074 115.585 114.554 -0.071 0.000 2.708 414 T HA -0.128 4.223 4.350 0.001 0.000 0.266 414 T C 1.538 176.200 174.700 -0.063 0.000 1.037 414 T CA 1.325 63.394 62.100 -0.052 0.000 1.146 414 T CB -0.087 68.761 68.868 -0.032 0.000 0.865 414 T HN 0.351 nan 8.240 nan 0.000 0.435 415 E N 0.934 121.089 120.200 -0.075 0.000 2.072 415 E HA -0.136 4.215 4.350 0.001 0.000 0.191 415 E C 2.477 179.013 176.600 -0.107 0.000 0.985 415 E CA 0.894 57.241 56.400 -0.087 0.000 0.801 415 E CB -0.114 29.527 29.700 -0.098 0.000 0.750 415 E HN 0.552 nan 8.360 nan 0.000 0.452 416 Q N 0.096 119.819 119.800 -0.129 0.000 2.167 416 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 416 Q C 2.112 178.038 176.000 -0.123 0.000 0.970 416 Q CA 1.191 56.905 55.803 -0.149 0.000 0.855 416 Q CB -0.043 28.593 28.738 -0.170 0.000 0.911 416 Q HN 0.221 nan 8.270 nan 0.000 0.438 417 A N 0.695 123.429 122.820 -0.142 0.000 1.929 417 A HA -0.193 4.128 4.320 0.001 0.000 0.216 417 A C 1.922 179.493 177.584 -0.021 0.000 1.176 417 A CA 1.045 52.989 52.037 -0.155 0.000 0.628 417 A CB -0.246 18.639 19.000 -0.191 0.000 0.816 417 A HN 0.297 nan 8.150 nan 0.000 0.444 418 Q N -0.370 119.428 119.800 -0.004 0.000 2.079 418 Q HA -0.066 4.274 4.340 0.001 0.000 0.200 418 Q C 2.046 178.118 176.000 0.120 0.000 0.974 418 Q CA 1.367 57.199 55.803 0.047 0.000 0.840 418 Q CB -0.307 28.436 28.738 0.009 0.000 0.898 418 Q HN 0.660 nan 8.270 nan 0.000 0.430 419 L N 0.118 121.391 121.223 0.082 0.000 2.083 419 L HA -0.198 4.143 4.340 0.001 0.000 0.209 419 L C 2.506 179.653 176.870 0.461 0.000 1.083 419 L CA 0.943 55.908 54.840 0.209 0.000 0.752 419 L CB -0.595 41.404 42.059 -0.100 0.000 0.899 419 L HN 0.227 nan 8.230 nan 0.000 0.433 420 A N 0.170 123.163 122.820 0.288 0.000 1.877 420 A HA -0.261 4.060 4.320 0.001 0.000 0.216 420 A C 2.356 180.108 177.584 0.281 0.000 1.186 420 A CA 1.931 54.149 52.037 0.303 0.000 0.620 420 A CB -0.485 18.587 19.000 0.120 0.000 0.822 420 A HN 0.280 nan 8.150 nan 0.000 0.443 421 R N -1.692 118.931 120.500 0.204 0.000 2.115 421 R HA -0.113 4.227 4.340 0.001 0.000 0.230 421 R C 1.850 178.282 176.300 0.220 0.000 1.111 421 R CA 1.645 57.855 56.100 0.184 0.000 0.976 421 R CB -0.904 29.460 30.300 0.108 0.000 0.870 421 R HN 0.625 nan 8.270 nan 0.000 0.445 422 Y N -0.016 120.356 120.300 0.119 0.000 2.200 422 Y HA -0.073 4.478 4.550 0.001 0.000 0.290 422 Y C 2.000 177.843 175.900 -0.095 0.000 1.137 422 Y CA 1.716 59.839 58.100 0.039 0.000 1.163 422 Y CB -0.534 38.002 38.460 0.126 0.000 0.988 422 Y HN 0.146 nan 8.280 nan 0.000 0.518 423 A N -0.125 122.786 122.820 0.153 0.000 1.877 423 A HA -0.219 4.101 4.320 0.001 0.000 0.216 423 A C 2.202 179.616 177.584 -0.284 0.000 1.186 423 A CA 1.567 53.556 52.037 -0.079 0.000 0.620 423 A CB -1.595 17.455 19.000 0.083 0.000 0.822 423 A HN 0.628 nan 8.150 nan 0.000 0.443 424 F N 1.617 121.468 119.950 -0.165 0.000 2.091 424 F HA -0.260 4.267 4.527 0.001 0.000 0.299 424 F C 1.986 177.591 175.800 -0.324 0.000 1.103 424 F CA 2.235 60.154 58.000 -0.133 0.000 1.228 424 F CB -0.238 38.777 39.000 0.025 0.000 0.984 424 F HN 0.219 nan 8.300 nan 0.000 0.477 425 N N 0.518 119.092 118.700 -0.210 0.000 2.289 425 N HA -0.171 4.570 4.740 0.001 0.000 0.184 425 N C 1.034 176.144 175.510 -0.668 0.000 1.016 425 N CA 1.219 54.055 53.050 -0.356 0.000 0.872 425 N CB -0.623 37.710 38.487 -0.258 0.000 0.973 425 N HN 0.444 nan 8.380 nan 0.000 0.433 426 N N 1.122 119.231 118.700 -0.985 0.000 2.322 426 N HA 0.032 4.772 4.740 0.001 0.000 0.194 426 N C -0.353 174.409 175.510 -1.247 0.000 1.126 426 N CA 0.060 52.358 53.050 -1.254 0.000 0.845 426 N CB 0.396 37.618 38.487 -2.109 0.000 0.976 426 N HN 0.258 nan 8.380 nan 0.000 0.475 427 Q N -0.926 118.074 119.800 -1.334 0.000 2.494 427 Q HA -0.159 4.181 4.340 0.001 0.000 0.266 427 Q C -1.078 173.963 176.000 -1.598 0.000 1.053 427 Q CA 0.450 55.061 55.803 -1.985 0.000 1.029 427 Q CB -1.488 26.448 28.738 -1.337 0.000 1.423 427 Q HN 0.411 nan 8.270 nan 0.000 0.516 428 W N 0.356 121.020 121.300 -1.060 0.000 1.738 428 W HA 0.202 4.863 4.660 0.001 0.000 0.399 428 W C 0.587 176.832 176.519 -0.456 0.000 0.744 428 W CA -1.189 55.754 57.345 -0.671 0.000 1.695 428 W CB -1.443 27.692 29.460 -0.541 0.000 1.820 428 W HN 0.350 nan 8.180 nan 0.000 0.262 429 W N 0.964 122.236 121.300 -0.046 0.000 2.318 429 W HA -0.300 4.361 4.660 0.001 0.000 0.313 429 W C 2.029 178.621 176.519 0.122 0.000 1.221 429 W CA 1.418 58.732 57.345 -0.051 0.000 1.266 429 W CB -0.468 28.849 29.460 -0.239 0.000 1.150 429 W HN 0.110 nan 8.180 nan 0.000 0.496 430 D N 0.622 121.242 120.400 0.367 0.000 2.144 430 D HA -0.177 4.463 4.640 0.001 0.000 0.200 430 D C 1.878 178.259 176.300 0.135 0.000 0.978 430 D CA 1.367 55.544 54.000 0.294 0.000 0.833 430 D CB -1.209 39.736 40.800 0.241 0.000 0.961 430 D HN 0.218 nan 8.370 nan 0.000 0.470 431 L N 0.251 121.439 121.223 -0.058 0.000 2.093 431 L HA -0.108 4.233 4.340 0.001 0.000 0.208 431 L C 2.667 179.546 176.870 0.014 0.000 1.085 431 L CA 1.161 55.777 54.840 -0.374 0.000 0.755 431 L CB -0.606 40.802 42.059 -1.086 0.000 0.904 431 L HN 0.120 nan 8.230 nan 0.000 0.435 432 S N 0.027 115.809 115.700 0.136 0.000 2.356 432 S HA -0.150 4.321 4.470 0.001 0.000 0.223 432 S C 1.979 176.733 174.600 0.257 0.000 1.032 432 S CA 1.446 59.810 58.200 0.274 0.000 1.005 432 S CB -0.145 63.270 63.200 0.358 0.000 0.867 432 S HN 0.181 nan 8.310 nan 0.000 0.449 433 V N 1.884 121.944 119.914 0.242 0.000 2.407 433 V HA -0.167 3.954 4.120 0.001 0.000 0.248 433 V C 2.688 178.892 176.094 0.183 0.000 1.055 433 V CA 2.207 64.612 62.300 0.175 0.000 1.049 433 V CB -0.892 31.047 31.823 0.194 0.000 0.662 433 V HN 0.601 nan 8.190 nan 0.000 0.455 434 Q N -0.093 119.852 119.800 0.242 0.000 2.124 434 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 434 Q C 2.235 178.403 176.000 0.279 0.000 0.977 434 Q CA 1.945 57.915 55.803 0.278 0.000 0.850 434 Q CB -0.228 28.727 28.738 0.362 0.000 0.901 434 Q HN 0.648 nan 8.270 nan 0.000 0.429 435 A N 0.224 123.277 122.820 0.388 0.000 1.929 435 A HA -0.155 4.166 4.320 0.001 0.000 0.216 435 A C 2.219 179.820 177.584 0.029 0.000 1.176 435 A CA 1.804 53.979 52.037 0.229 0.000 0.628 435 A CB -0.986 18.236 19.000 0.370 0.000 0.816 435 A HN 0.656 nan 8.150 nan 0.000 0.444 436 T N -1.511 113.057 114.554 0.023 0.000 2.867 436 T HA -0.061 4.290 4.350 0.001 0.000 0.268 436 T C 1.801 176.354 174.700 -0.245 0.000 1.057 436 T CA 1.465 63.489 62.100 -0.126 0.000 1.136 436 T CB -0.531 68.295 68.868 -0.070 0.000 0.874 436 T HN 0.346 nan 8.240 nan 0.000 0.466 437 I N 1.664 122.194 120.570 -0.068 0.000 2.233 437 I HA -0.005 4.166 4.170 0.001 0.000 0.243 437 I C 3.224 179.277 176.117 -0.107 0.000 1.093 437 I CA 1.017 62.303 61.300 -0.025 0.000 1.380 437 I CB -0.592 37.525 38.000 0.195 0.000 1.067 437 I HN 0.329 nan 8.210 nan 0.000 0.413 438 A N 0.738 123.525 122.820 -0.056 0.000 1.908 438 A HA -0.136 4.185 4.320 0.001 0.000 0.218 438 A C 2.270 179.764 177.584 -0.150 0.000 1.181 438 A CA 1.985 53.981 52.037 -0.069 0.000 0.627 438 A CB -1.248 17.716 19.000 -0.060 0.000 0.818 438 A HN 0.478 nan 8.150 nan 0.000 0.445 439 G N -1.782 106.884 108.800 -0.224 0.000 3.042 439 G HA2 0.242 4.203 3.960 0.001 0.000 0.212 439 G HA3 0.242 4.203 3.960 0.001 0.000 0.212 439 G C 0.566 175.220 174.900 -0.410 0.000 1.166 439 G CA 0.352 45.292 45.100 -0.268 0.000 0.767 439 G HN 0.503 nan 8.290 nan 0.000 0.546 440 K N -0.701 119.308 120.400 -0.653 0.000 3.077 440 K HA -0.156 4.165 4.320 0.001 0.000 0.264 440 K C 0.048 175.901 176.600 -1.246 0.000 1.008 440 K CA 0.132 55.662 56.287 -1.262 0.000 0.740 440 K CB -1.641 30.500 32.500 -0.597 0.000 1.273 440 K HN 0.330 nan 8.250 nan 0.000 0.477 441 L N 0.157 120.857 121.223 -0.873 0.000 2.583 441 L HA 0.089 4.430 4.340 0.001 0.000 0.239 441 L C 1.328 178.096 176.870 -0.170 0.000 1.347 441 L CA -0.296 54.273 54.840 -0.451 0.000 1.246 441 L CB -0.597 41.154 42.059 -0.513 0.000 1.496 441 L HN 0.308 nan 8.230 nan 0.000 0.413 442 W N -0.500 120.857 121.300 0.094 0.000 2.392 442 W HA -0.144 4.517 4.660 0.001 0.000 0.279 442 W C 1.493 178.088 176.519 0.126 0.000 1.225 442 W CA -0.081 57.331 57.345 0.113 0.000 1.233 442 W CB 0.069 29.599 29.460 0.117 0.000 1.122 442 W HN 0.397 nan 8.180 nan 0.000 0.561 443 D N -1.577 119.012 120.400 0.316 0.000 2.349 443 D HA -0.011 4.630 4.640 0.001 0.000 0.214 443 D C -0.145 176.221 176.300 0.111 0.000 1.063 443 D CA 0.621 54.734 54.000 0.188 0.000 0.847 443 D CB -0.267 40.605 40.800 0.120 0.000 0.933 443 D HN 0.193 nan 8.370 nan 0.000 0.513 444 H N 1.052 120.143 119.070 0.035 0.000 2.768 444 H HA 0.183 4.739 4.556 0.001 0.000 0.219 444 H C 1.672 177.002 175.328 0.002 0.000 1.898 444 H CA -0.100 55.943 56.048 -0.009 0.000 1.313 444 H CB -0.466 29.265 29.762 -0.051 0.000 1.701 444 H HN 0.001 nan 8.280 nan 0.000 0.534 445 L N -0.282 121.016 121.223 0.125 0.000 2.129 445 L HA -0.237 4.104 4.340 0.001 0.000 0.212 445 L C 2.436 179.422 176.870 0.195 0.000 1.087 445 L CA 1.575 56.544 54.840 0.215 0.000 0.757 445 L CB -0.138 42.011 42.059 0.149 0.000 0.896 445 L HN 0.568 nan 8.230 nan 0.000 0.434 446 E N 0.367 120.565 120.200 -0.003 0.000 2.106 446 E HA -0.231 4.120 4.350 0.001 0.000 0.192 446 E C 1.903 178.222 176.600 -0.468 0.000 0.984 446 E CA 1.244 57.342 56.400 -0.503 0.000 0.806 446 E CB 0.224 29.624 29.700 -0.501 0.000 0.750 446 E HN 0.436 nan 8.360 nan 0.000 0.458 447 E N -0.082 119.928 120.200 -0.316 0.000 2.216 447 E HA -0.033 4.318 4.350 0.001 0.000 0.192 447 E C 1.900 178.481 176.600 -0.030 0.000 0.988 447 E CA 0.520 56.828 56.400 -0.153 0.000 0.834 447 E CB 0.086 29.737 29.700 -0.082 0.000 0.772 447 E HN 0.156 nan 8.360 nan 0.000 0.479 448 R N -0.534 119.874 120.500 -0.153 0.000 2.153 448 R HA 0.061 4.402 4.340 0.001 0.000 0.218 448 R C 0.010 175.802 176.300 -0.846 0.000 1.072 448 R CA 0.677 56.500 56.100 -0.461 0.000 0.990 448 R CB 0.146 30.093 30.300 -0.589 0.000 0.889 448 R HN 0.119 nan 8.270 nan 0.000 0.452 449 F N 1.488 121.429 119.950 -0.014 0.000 2.584 449 F HA 0.317 4.845 4.527 0.001 0.000 0.328 449 F C -2.194 173.553 175.800 -0.088 0.000 1.407 449 F CA -2.898 55.070 58.000 -0.052 0.000 1.145 449 F CB 0.952 39.762 39.000 -0.317 0.000 1.440 449 F HN -0.186 nan 8.300 nan 0.000 0.580 450 P HA 0.075 nan 4.420 nan 0.000 0.271 450 P C 0.070 177.130 177.300 -0.401 0.000 1.218 450 P CA -0.147 62.880 63.100 -0.121 0.000 0.780 450 P CB 1.651 33.284 31.700 -0.111 0.000 0.901 451 L N 1.537 122.422 121.223 -0.563 0.000 2.416 451 L HA 0.183 4.523 4.340 0.001 0.000 0.243 451 L C 1.131 177.344 176.870 -1.095 0.000 1.373 451 L CA -0.454 54.080 54.840 -0.509 0.000 1.227 451 L CB -0.873 41.034 42.059 -0.253 0.000 1.428 451 L HN 0.383 nan 8.230 nan 0.000 0.425 452 A N 0.871 122.738 122.820 -1.589 0.000 2.450 452 A HA 0.244 4.564 4.320 0.001 0.000 0.255 452 A C 0.169 177.336 177.584 -0.695 0.000 1.096 452 A CA -0.098 50.819 52.037 -1.867 0.000 0.778 452 A CB -0.304 17.285 19.000 -2.351 0.000 1.031 452 A HN 0.628 nan 8.150 nan 0.000 0.494 453 Y N 0.659 120.776 120.300 -0.305 0.000 3.491 453 Y HA -0.299 4.252 4.550 0.001 0.000 0.215 453 Y C 1.363 177.324 175.900 0.101 0.000 1.219 453 Y CA 0.934 59.042 58.100 0.014 0.000 1.485 453 Y CB -2.349 36.175 38.460 0.106 0.000 1.450 453 Y HN 0.969 nan 8.280 nan 0.000 0.603 454 N N 0.809 119.537 118.700 0.047 0.000 2.036 454 N HA -0.201 4.540 4.740 0.001 0.000 0.195 454 N C 1.396 176.987 175.510 0.135 0.000 1.037 454 N CA 2.274 55.367 53.050 0.071 0.000 0.855 454 N CB -0.041 38.421 38.487 -0.041 0.000 1.033 454 N HN 0.452 nan 8.380 nan 0.000 0.423 455 D N -0.060 120.397 120.400 0.096 0.000 2.123 455 D HA -0.129 4.512 4.640 0.001 0.000 0.196 455 D C 2.035 178.394 176.300 0.098 0.000 0.992 455 D CA 0.762 54.810 54.000 0.081 0.000 0.833 455 D CB -0.356 40.478 40.800 0.058 0.000 0.954 455 D HN 0.358 nan 8.370 nan 0.000 0.455 456 L N -0.481 120.816 121.223 0.124 0.000 2.046 456 L HA -0.146 4.195 4.340 0.001 0.000 0.208 456 L C 2.377 179.297 176.870 0.084 0.000 1.077 456 L CA 0.791 55.694 54.840 0.106 0.000 0.747 456 L CB -0.349 41.727 42.059 0.027 0.000 0.896 456 L HN -0.045 nan 8.230 nan 0.000 0.432 457 F N 0.250 120.287 119.950 0.146 0.000 2.186 457 F HA -0.206 4.322 4.527 0.001 0.000 0.299 457 F C 2.628 178.480 175.800 0.086 0.000 1.090 457 F CA 1.440 59.507 58.000 0.112 0.000 1.307 457 F CB -0.345 38.688 39.000 0.054 0.000 1.019 457 F HN -0.029 nan 8.300 nan 0.000 0.489 458 K N 0.530 121.060 120.400 0.216 0.000 2.026 458 K HA -0.212 4.108 4.320 0.001 0.000 0.208 458 K C 2.446 179.079 176.600 0.056 0.000 1.048 458 K CA 1.374 57.732 56.287 0.118 0.000 0.929 458 K CB -0.178 32.369 32.500 0.077 0.000 0.713 458 K HN 0.081 nan 8.250 nan 0.000 0.439 459 R N -0.499 120.000 120.500 -0.001 0.000 2.091 459 R HA -0.167 4.174 4.340 0.001 0.000 0.238 459 R C 1.637 177.788 176.300 -0.248 0.000 1.136 459 R CA 1.791 57.795 56.100 -0.158 0.000 0.959 459 R CB -0.261 29.876 30.300 -0.272 0.000 0.856 459 R HN 0.294 nan 8.270 nan 0.000 0.437 460 Y N -0.225 120.073 120.300 -0.003 0.000 2.529 460 Y HA -0.001 4.549 4.550 0.001 0.000 0.290 460 Y C 1.895 177.815 175.900 0.035 0.000 1.177 460 Y CA 1.216 59.310 58.100 -0.009 0.000 1.305 460 Y CB 0.536 38.949 38.460 -0.079 0.000 1.047 460 Y HN 0.267 nan 8.280 nan 0.000 0.522 461 T N -7.014 107.633 114.554 0.154 0.000 2.975 461 T HA 0.080 4.431 4.350 0.001 0.000 0.257 461 T C 1.868 176.622 174.700 0.091 0.000 1.003 461 T CA 0.447 62.628 62.100 0.135 0.000 0.932 461 T CB -0.205 68.751 68.868 0.147 0.000 1.087 461 T HN -0.012 nan 8.240 nan 0.000 0.512 462 S N 1.629 117.363 115.700 0.058 0.000 2.400 462 S HA 0.042 4.512 4.470 0.001 0.000 0.232 462 S C 2.034 176.661 174.600 0.046 0.000 1.025 462 S CA 1.382 59.605 58.200 0.039 0.000 0.993 462 S CB -0.674 62.530 63.200 0.007 0.000 0.808 462 S HN 0.776 nan 8.310 nan 0.000 0.478 463 G N 0.701 109.532 108.800 0.052 0.000 3.189 463 G HA2 0.208 4.169 3.960 0.001 0.000 0.225 463 G HA3 0.208 4.169 3.960 0.001 0.000 0.225 463 G C 0.164 175.125 174.900 0.102 0.000 1.159 463 G CA -0.244 44.896 45.100 0.067 0.000 0.763 463 G HN 0.322 nan 8.290 nan 0.000 0.549 464 K N -0.486 119.982 120.400 0.113 0.000 2.306 464 K HA 0.411 4.732 4.320 0.001 0.000 0.236 464 K C 0.239 176.918 176.600 0.131 0.000 1.013 464 K CA -0.699 55.673 56.287 0.142 0.000 0.857 464 K CB 2.106 34.701 32.500 0.158 0.000 1.214 464 K HN -0.092 nan 8.250 nan 0.000 0.449 465 E N 0.746 121.049 120.200 0.173 0.000 2.318 465 E HA 0.000 4.351 4.350 0.001 0.000 0.193 465 E C 0.431 177.095 176.600 0.106 0.000 0.998 465 E CA 0.195 56.717 56.400 0.204 0.000 0.859 465 E CB -0.060 29.833 29.700 0.321 0.000 0.812 465 E HN 0.453 nan 8.360 nan 0.000 0.492 466 I N 0.747 121.269 120.570 -0.079 0.000 2.683 466 I HA 0.136 4.306 4.170 0.001 0.000 0.286 466 I C -2.463 173.610 176.117 -0.074 0.000 1.175 466 I CA -2.025 59.057 61.300 -0.364 0.000 1.429 466 I CB -0.078 37.802 38.000 -0.199 0.000 1.371 466 I HN -0.347 nan 8.210 nan 0.000 0.569 467 P HA 0.020 nan 4.420 nan 0.000 0.271 467 P C 0.278 177.621 177.300 0.071 0.000 1.218 467 P CA -0.256 62.871 63.100 0.044 0.000 0.780 467 P CB 0.799 32.533 31.700 0.055 0.000 0.901 468 Q N 2.112 121.953 119.800 0.068 0.000 2.096 468 Q HA -0.202 4.138 4.340 0.001 0.000 0.204 468 Q C 1.772 177.757 176.000 -0.024 0.000 0.982 468 Q CA 2.482 58.322 55.803 0.062 0.000 0.850 468 Q CB -0.331 28.455 28.738 0.080 0.000 0.901 468 Q HN 0.587 nan 8.270 nan 0.000 0.422 469 S N -0.462 115.251 115.700 0.022 0.000 2.383 469 S HA -0.235 4.235 4.470 0.001 0.000 0.229 469 S C 1.871 176.482 174.600 0.019 0.000 1.030 469 S CA 1.253 59.473 58.200 0.033 0.000 1.002 469 S CB -0.877 62.408 63.200 0.142 0.000 0.829 469 S HN 0.612 nan 8.310 nan 0.000 0.467 470 Y N 2.847 123.100 120.300 -0.078 0.000 2.200 470 Y HA 0.143 4.693 4.550 0.001 0.000 0.290 470 Y C 2.667 178.481 175.900 -0.145 0.000 1.137 470 Y CA 0.666 58.708 58.100 -0.098 0.000 1.163 470 Y CB -1.141 37.243 38.460 -0.126 0.000 0.988 470 Y HN 0.326 nan 8.280 nan 0.000 0.518 471 A N 0.209 122.843 122.820 -0.309 0.000 1.933 471 A HA -0.203 4.118 4.320 0.001 0.000 0.218 471 A C 2.315 179.609 177.584 -0.484 0.000 1.175 471 A CA 2.021 53.856 52.037 -0.336 0.000 0.628 471 A CB -0.780 18.237 19.000 0.028 0.000 0.814 471 A HN 0.573 nan 8.150 nan 0.000 0.444 472 M N -0.667 118.528 119.600 -0.675 0.000 2.175 472 M HA -0.095 4.386 4.480 0.001 0.000 0.264 472 M C 2.523 178.502 176.300 -0.535 0.000 1.063 472 M CA 1.255 56.035 55.300 -0.866 0.000 1.119 472 M CB -0.372 31.579 32.600 -1.082 0.000 1.377 472 M HN 0.473 nan 8.290 nan 0.000 0.415 473 A N 0.864 123.500 122.820 -0.305 0.000 1.877 473 A HA -0.148 4.172 4.320 0.001 0.000 0.216 473 A C 2.073 179.585 177.584 -0.121 0.000 1.186 473 A CA 1.327 53.386 52.037 0.036 0.000 0.620 473 A CB -0.737 18.344 19.000 0.134 0.000 0.822 473 A HN 0.368 nan 8.150 nan 0.000 0.443 474 I N -0.080 120.278 120.570 -0.353 0.000 2.179 474 I HA -0.275 3.895 4.170 0.001 0.000 0.242 474 I C 2.992 178.921 176.117 -0.313 0.000 1.088 474 I CA 1.597 62.657 61.300 -0.399 0.000 1.357 474 I CB -1.505 36.132 38.000 -0.606 0.000 1.051 474 I HN 0.387 nan 8.210 nan 0.000 0.409 475 A N 0.809 123.410 122.820 -0.366 0.000 1.908 475 A HA -0.270 4.050 4.320 0.001 0.000 0.218 475 A C 2.403 179.563 177.584 -0.707 0.000 1.181 475 A CA 2.106 53.890 52.037 -0.422 0.000 0.627 475 A CB -0.605 18.196 19.000 -0.332 0.000 0.818 475 A HN 0.328 nan 8.150 nan 0.000 0.445 476 R N -0.012 119.977 120.500 -0.851 0.000 2.083 476 R HA -0.206 4.135 4.340 0.001 0.000 0.237 476 R C 2.262 178.421 176.300 -0.235 0.000 1.137 476 R CA 2.384 58.038 56.100 -0.743 0.000 0.951 476 R CB -0.761 29.473 30.300 -0.110 0.000 0.851 476 R HN 0.545 nan 8.270 nan 0.000 0.434 477 Q N 0.307 120.101 119.800 -0.009 0.000 2.079 477 Q HA -0.109 4.232 4.340 0.001 0.000 0.200 477 Q C 1.678 177.692 176.000 0.022 0.000 0.974 477 Q CA 1.929 57.778 55.803 0.077 0.000 0.840 477 Q CB -0.104 28.527 28.738 -0.177 0.000 0.898 477 Q HN 0.410 nan 8.270 nan 0.000 0.430 478 E N -0.153 120.038 120.200 -0.014 0.000 2.047 478 E HA -0.085 4.266 4.350 0.001 0.000 0.191 478 E C 1.716 178.338 176.600 0.037 0.000 0.987 478 E CA 1.699 58.145 56.400 0.077 0.000 0.799 478 E CB -0.095 29.666 29.700 0.101 0.000 0.752 478 E HN 0.534 nan 8.360 nan 0.000 0.449 479 S N -1.501 114.167 115.700 -0.053 0.000 2.666 479 S HA 0.493 4.964 4.470 0.001 0.000 0.239 479 S C 1.033 175.625 174.600 -0.013 0.000 1.031 479 S CA 0.477 58.670 58.200 -0.011 0.000 1.015 479 S CB 1.033 64.242 63.200 0.014 0.000 0.981 479 S HN 0.242 nan 8.310 nan 0.000 0.547 480 A N 0.634 123.382 122.820 -0.121 0.000 2.799 480 A HA -0.206 4.115 4.320 0.001 0.000 0.287 480 A C 0.719 178.365 177.584 0.104 0.000 1.484 480 A CA 1.013 53.011 52.037 -0.066 0.000 0.813 480 A CB -2.851 16.188 19.000 0.065 0.000 1.009 480 A HN 1.326 nan 8.150 nan 0.000 0.545 481 W N -3.379 118.032 121.300 0.185 0.000 2.560 481 W HA -0.219 4.442 4.660 0.001 0.000 0.279 481 W C 0.436 177.117 176.519 0.270 0.000 1.090 481 W CA 0.538 58.041 57.345 0.263 0.000 0.535 481 W CB -1.748 27.896 29.460 0.308 0.000 2.121 481 W HN 0.963 nan 8.180 nan 0.000 1.314 482 N N 1.923 120.825 118.700 0.337 0.000 2.420 482 N HA 0.196 4.937 4.740 0.001 0.000 0.249 482 N C -0.674 174.961 175.510 0.209 0.000 1.033 482 N CA -1.999 51.202 53.050 0.252 0.000 0.944 482 N CB 1.057 39.642 38.487 0.163 0.000 1.113 482 N HN -0.115 nan 8.380 nan 0.000 0.502 483 P HA -0.033 nan 4.420 nan 0.000 0.233 483 P C 0.067 177.416 177.300 0.082 0.000 1.167 483 P CA 0.834 64.011 63.100 0.128 0.000 0.770 483 P CB 0.457 32.235 31.700 0.130 0.000 0.837 484 K N -0.490 119.963 120.400 0.088 0.000 2.358 484 K HA 0.190 4.511 4.320 0.001 0.000 0.200 484 K C 0.523 177.158 176.600 0.058 0.000 1.030 484 K CA -0.535 55.789 56.287 0.062 0.000 1.097 484 K CB 0.243 32.776 32.500 0.055 0.000 0.862 484 K HN 0.063 nan 8.250 nan 0.000 0.534 485 V N 1.966 121.921 119.914 0.069 0.000 2.686 485 V HA 0.138 4.259 4.120 0.001 0.000 0.295 485 V C -0.470 175.656 176.094 0.054 0.000 1.055 485 V CA -0.099 62.239 62.300 0.064 0.000 1.050 485 V CB 0.654 32.523 31.823 0.076 0.000 0.984 485 V HN 0.153 nan 8.190 nan 0.000 0.482 486 K N 4.293 124.722 120.400 0.048 0.000 2.427 486 K HA 0.493 4.814 4.320 0.001 0.000 0.252 486 K C -0.399 176.226 176.600 0.041 0.000 0.931 486 K CA -0.420 55.892 56.287 0.041 0.000 0.793 486 K CB 2.028 34.548 32.500 0.033 0.000 1.211 486 K HN 0.820 nan 8.250 nan 0.000 0.426 487 S N 1.331 117.055 115.700 0.039 0.000 2.624 487 S HA 0.253 4.724 4.470 0.001 0.000 0.263 487 S C -1.740 172.877 174.600 0.027 0.000 1.287 487 S CA -0.951 57.271 58.200 0.038 0.000 0.990 487 S CB 0.727 63.950 63.200 0.039 0.000 0.950 487 S HN 0.327 nan 8.310 nan 0.000 0.561 488 P HA -0.063 nan 4.420 nan 0.000 0.216 488 P C 1.513 178.819 177.300 0.010 0.000 1.150 488 P CA 1.125 64.235 63.100 0.017 0.000 0.837 488 P CB -0.332 31.377 31.700 0.015 0.000 0.786 489 V N -4.683 115.235 119.914 0.006 0.000 3.380 489 V HA 0.340 4.460 4.120 0.001 0.000 0.268 489 V C 1.485 177.578 176.094 -0.001 0.000 1.168 489 V CA 1.042 63.341 62.300 -0.002 0.000 1.156 489 V CB -1.104 30.714 31.823 -0.008 0.000 0.785 489 V HN 0.322 nan 8.190 nan 0.000 0.487 490 G N -0.586 108.217 108.800 0.006 0.000 2.184 490 G HA2 0.005 3.966 3.960 0.001 0.000 0.206 490 G HA3 0.005 3.966 3.960 0.001 0.000 0.206 490 G C 0.330 175.235 174.900 0.008 0.000 0.995 490 G CA 0.009 45.113 45.100 0.007 0.000 0.651 490 G HN 1.572 nan 8.290 nan 0.000 0.511 491 A N 0.125 122.951 122.820 0.010 0.000 2.477 491 A HA 0.719 5.040 4.320 0.001 0.000 0.246 491 A C 0.678 178.278 177.584 0.026 0.000 1.078 491 A CA 1.179 53.224 52.037 0.012 0.000 0.770 491 A CB 0.803 19.817 19.000 0.023 0.000 1.011 491 A HN 1.590 nan 8.150 nan 0.000 0.494 492 S N 1.436 117.151 115.700 0.025 0.000 2.536 492 S HA 0.729 5.200 4.470 0.001 0.000 0.298 492 S C 0.400 175.020 174.600 0.034 0.000 1.083 492 S CA 0.692 58.911 58.200 0.032 0.000 0.995 492 S CB 0.755 63.973 63.200 0.030 0.000 1.058 492 S HN 2.694 nan 8.310 nan 0.000 0.488 493 G N 3.058 111.881 108.800 0.038 0.000 2.697 493 G HA2 -0.216 3.745 3.960 0.001 0.000 0.240 493 G HA3 -0.216 3.745 3.960 0.001 0.000 0.240 493 G C 0.624 175.550 174.900 0.044 0.000 1.346 493 G CA 0.012 45.133 45.100 0.034 0.000 0.887 493 G HN 0.955 nan 8.290 nan 0.000 0.569 494 L N -0.620 120.622 121.223 0.032 0.000 2.051 494 L HA -0.124 4.217 4.340 0.001 0.000 0.214 494 L C 2.804 179.696 176.870 0.036 0.000 1.076 494 L CA 2.442 57.313 54.840 0.052 0.000 0.758 494 L CB -0.329 41.766 42.059 0.059 0.000 0.890 494 L HN 0.570 nan 8.230 nan 0.000 0.433 495 M N -1.252 118.382 119.600 0.058 0.000 2.404 495 M HA 0.104 4.585 4.480 0.001 0.000 0.271 495 M C -0.273 176.144 176.300 0.195 0.000 1.128 495 M CA -0.068 55.300 55.300 0.113 0.000 0.982 495 M CB 0.783 33.462 32.600 0.132 0.000 1.445 495 M HN 0.102 nan 8.290 nan 0.000 0.495 496 Q N 1.427 121.299 119.800 0.119 0.000 2.447 496 Q HA -0.160 4.181 4.340 0.001 0.000 0.348 496 Q C -0.754 175.295 176.000 0.081 0.000 1.421 496 Q CA 0.957 56.824 55.803 0.106 0.000 0.978 496 Q CB -1.896 26.924 28.738 0.136 0.000 1.191 496 Q HN 0.615 nan 8.270 nan 0.000 0.371 497 I N 1.075 121.666 120.570 0.034 0.000 2.342 497 I HA 0.184 4.354 4.170 0.001 0.000 0.291 497 I C 1.044 177.127 176.117 -0.056 0.000 1.010 497 I CA -0.435 60.842 61.300 -0.039 0.000 1.308 497 I CB 0.762 38.725 38.000 -0.061 0.000 1.400 497 I HN 0.094 nan 8.210 nan 0.000 0.488 498 M N 7.448 126.987 119.600 -0.103 0.000 2.242 498 M HA 0.222 4.703 4.480 0.001 0.000 0.344 498 M C -1.494 174.769 176.300 -0.062 0.000 1.140 498 M CA -2.045 53.209 55.300 -0.077 0.000 1.160 498 M CB 0.393 32.932 32.600 -0.102 0.000 1.491 498 M HN 0.213 nan 8.290 nan 0.000 0.459 499 P HA -0.108 nan 4.420 nan 0.000 0.216 499 P C 1.287 178.594 177.300 0.012 0.000 1.153 499 P CA 1.572 64.687 63.100 0.026 0.000 0.858 499 P CB 0.122 31.839 31.700 0.028 0.000 0.789 500 G N -1.255 107.529 108.800 -0.027 0.000 2.402 500 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 500 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 500 G C 1.450 176.317 174.900 -0.054 0.000 1.162 500 G CA 1.325 46.404 45.100 -0.035 0.000 0.777 500 G HN 0.180 nan 8.290 nan 0.000 0.539 501 T N 1.677 116.152 114.554 -0.131 0.000 2.746 501 T HA 0.030 4.380 4.350 0.001 0.000 0.267 501 T C 2.813 177.384 174.700 -0.215 0.000 1.039 501 T CA 1.436 63.388 62.100 -0.247 0.000 1.142 501 T CB -0.330 68.268 68.868 -0.450 0.000 0.866 501 T HN 0.363 nan 8.240 nan 0.000 0.444 502 A N 1.398 124.105 122.820 -0.187 0.000 1.877 502 A HA -0.131 4.190 4.320 0.001 0.000 0.216 502 A C 2.575 180.040 177.584 -0.198 0.000 1.186 502 A CA 2.099 53.971 52.037 -0.275 0.000 0.620 502 A CB -1.303 17.505 19.000 -0.320 0.000 0.822 502 A HN 0.457 nan 8.150 nan 0.000 0.443 503 T N -1.454 113.101 114.554 0.001 0.000 2.708 503 T HA -0.174 4.176 4.350 0.001 0.000 0.266 503 T C 1.857 176.615 174.700 0.096 0.000 1.037 503 T CA 1.515 63.677 62.100 0.105 0.000 1.146 503 T CB -0.479 68.462 68.868 0.122 0.000 0.865 503 T HN 0.715 nan 8.240 nan 0.000 0.435 504 H N 0.122 119.165 119.070 -0.046 0.000 2.389 504 H HA -0.074 4.482 4.556 0.001 0.000 0.299 504 H C 2.132 177.452 175.328 -0.015 0.000 1.081 504 H CA 1.370 57.397 56.048 -0.035 0.000 1.345 504 H CB 0.217 29.945 29.762 -0.056 0.000 1.393 504 H HN 0.260 nan 8.280 nan 0.000 0.520 505 T N 0.121 114.629 114.554 -0.076 0.000 2.770 505 T HA -0.095 4.256 4.350 0.001 0.000 0.263 505 T C 2.218 176.906 174.700 -0.019 0.000 1.039 505 T CA 1.009 63.062 62.100 -0.078 0.000 1.142 505 T CB -0.324 68.458 68.868 -0.144 0.000 0.868 505 T HN 0.108 nan 8.240 nan 0.000 0.435 506 V N 1.742 121.615 119.914 -0.069 0.000 2.392 506 V HA -0.201 3.919 4.120 0.001 0.000 0.249 506 V C 2.486 178.618 176.094 0.064 0.000 1.059 506 V CA 1.788 64.078 62.300 -0.016 0.000 1.051 506 V CB -0.494 31.321 31.823 -0.013 0.000 0.658 506 V HN 0.459 nan 8.190 nan 0.000 0.455 507 K N -0.420 120.016 120.400 0.059 0.000 2.031 507 K HA -0.117 4.204 4.320 0.001 0.000 0.205 507 K C 2.223 178.844 176.600 0.036 0.000 1.049 507 K CA 1.481 57.804 56.287 0.060 0.000 0.939 507 K CB -0.171 32.375 32.500 0.077 0.000 0.717 507 K HN 0.347 nan 8.250 nan 0.000 0.438 508 M N -0.332 119.264 119.600 -0.007 0.000 2.149 508 M HA -0.136 4.345 4.480 0.001 0.000 0.261 508 M C 1.285 177.552 176.300 -0.056 0.000 1.064 508 M CA 1.626 56.875 55.300 -0.086 0.000 1.102 508 M CB -0.136 32.314 32.600 -0.251 0.000 1.369 508 M HN 0.091 nan 8.290 nan 0.000 0.408 509 F N -0.076 119.820 119.950 -0.090 0.000 2.727 509 F HA 0.196 4.724 4.527 0.001 0.000 0.302 509 F C 1.008 176.801 175.800 -0.012 0.000 1.097 509 F CA -0.139 57.839 58.000 -0.037 0.000 1.330 509 F CB -0.051 38.939 39.000 -0.017 0.000 1.084 509 F HN -0.014 nan 8.300 nan 0.000 0.578 510 S N 1.205 116.994 115.700 0.148 0.000 3.711 510 S HA -0.203 4.267 4.470 0.001 0.000 0.374 510 S C 0.096 174.762 174.600 0.110 0.000 0.969 510 S CA -0.005 58.254 58.200 0.097 0.000 1.198 510 S CB -2.185 61.053 63.200 0.063 0.000 0.903 510 S HN 0.267 nan 8.310 nan 0.000 0.493 511 I N 2.948 123.584 120.570 0.111 0.000 2.371 511 I HA 0.290 4.461 4.170 0.001 0.000 0.290 511 I C -1.128 175.038 176.117 0.081 0.000 1.028 511 I CA -1.805 59.546 61.300 0.085 0.000 1.345 511 I CB 0.681 38.698 38.000 0.028 0.000 1.407 511 I HN 0.112 nan 8.210 nan 0.000 0.501 512 P HA 0.267 nan 4.420 nan 0.000 0.281 512 P C 0.446 177.799 177.300 0.089 0.000 1.264 512 P CA -0.160 62.987 63.100 0.078 0.000 0.824 512 P CB 1.435 33.174 31.700 0.065 0.000 1.092 513 G N -0.351 108.499 108.800 0.083 0.000 2.148 513 G HA2 -0.277 3.683 3.960 0.001 0.000 0.254 513 G HA3 -0.277 3.683 3.960 0.001 0.000 0.254 513 G C -0.406 174.564 174.900 0.117 0.000 0.981 513 G CA 0.225 45.374 45.100 0.081 0.000 0.670 513 G HN 0.655 nan 8.290 nan 0.000 0.528 514 Y N 1.375 121.674 120.300 -0.002 0.000 2.331 514 Y HA 0.536 5.087 4.550 0.001 0.000 0.338 514 Y C 1.067 176.963 175.900 -0.007 0.000 0.976 514 Y CA -0.295 57.798 58.100 -0.010 0.000 1.137 514 Y CB 1.831 40.280 38.460 -0.017 0.000 1.172 514 Y HN 0.402 nan 8.280 nan 0.000 0.478 515 S N 1.653 117.034 115.700 -0.532 0.000 2.679 515 S HA 0.291 4.762 4.470 0.001 0.000 0.258 515 S C -0.050 174.255 174.600 -0.491 0.000 1.068 515 S CA 0.152 58.110 58.200 -0.403 0.000 1.115 515 S CB 0.166 63.254 63.200 -0.187 0.000 1.078 515 S HN 0.477 nan 8.310 nan 0.000 0.603 516 S N 1.156 116.436 115.700 -0.700 0.000 2.546 516 S HA 0.610 5.081 4.470 0.001 0.000 0.272 516 S C -2.805 171.575 174.600 -0.367 0.000 1.140 516 S CA -1.102 56.846 58.200 -0.421 0.000 0.920 516 S CB 1.677 64.748 63.200 -0.215 0.000 1.083 516 S HN -0.080 nan 8.310 nan 0.000 0.476 517 P HA 0.061 nan 4.420 nan 0.000 0.223 517 P C 1.428 178.759 177.300 0.053 0.000 1.144 517 P CA 1.050 64.193 63.100 0.072 0.000 0.783 517 P CB -0.096 31.635 31.700 0.052 0.000 0.771 518 G N -0.044 108.751 108.800 -0.009 0.000 2.448 518 G HA2 -0.258 3.702 3.960 0.001 0.000 0.219 518 G HA3 -0.258 3.702 3.960 0.001 0.000 0.219 518 G C 1.411 176.324 174.900 0.021 0.000 1.127 518 G CA 0.359 45.459 45.100 0.001 0.000 0.766 518 G HN 0.324 nan 8.290 nan 0.000 0.552 519 Q N -0.320 119.499 119.800 0.031 0.000 2.364 519 Q HA 0.151 4.492 4.340 0.001 0.000 0.207 519 Q C 2.284 178.345 176.000 0.102 0.000 0.970 519 Q CA 0.229 56.074 55.803 0.070 0.000 0.888 519 Q CB -0.154 28.643 28.738 0.097 0.000 0.951 519 Q HN 0.454 nan 8.270 nan 0.000 0.469 520 L N 0.204 121.503 121.223 0.127 0.000 2.456 520 L HA -0.130 4.211 4.340 0.001 0.000 0.224 520 L C 1.734 178.617 176.870 0.023 0.000 1.148 520 L CA 0.604 55.485 54.840 0.068 0.000 0.825 520 L CB -0.219 41.882 42.059 0.070 0.000 0.937 520 L HN 0.300 nan 8.230 nan 0.000 0.450 521 L N -0.746 120.493 121.223 0.028 0.000 2.554 521 L HA 0.004 4.345 4.340 0.001 0.000 0.226 521 L C 0.500 177.375 176.870 0.009 0.000 1.137 521 L CA -0.003 54.849 54.840 0.020 0.000 0.863 521 L CB -0.299 41.775 42.059 0.026 0.000 0.985 521 L HN 0.184 nan 8.230 nan 0.000 0.451 522 D N 0.098 120.497 120.400 -0.000 0.000 2.277 522 D HA 0.125 4.766 4.640 0.001 0.000 0.249 522 D C -1.621 174.639 176.300 -0.067 0.000 1.134 522 D CA -1.839 52.154 54.000 -0.013 0.000 0.863 522 D CB 1.667 42.466 40.800 -0.002 0.000 1.143 522 D HN -0.208 nan 8.370 nan 0.000 0.458 523 P HA -0.201 nan 4.420 nan 0.000 0.215 523 P C 0.969 178.108 177.300 -0.268 0.000 1.163 523 P CA 1.204 64.157 63.100 -0.244 0.000 0.894 523 P CB 0.170 31.711 31.700 -0.266 0.000 0.791 524 E N -1.142 118.958 120.200 -0.167 0.000 2.051 524 E HA -0.160 4.190 4.350 0.001 0.000 0.192 524 E C 1.703 178.121 176.600 -0.304 0.000 0.991 524 E CA 1.827 58.109 56.400 -0.197 0.000 0.799 524 E CB -0.517 29.162 29.700 -0.034 0.000 0.748 524 E HN 0.112 nan 8.360 nan 0.000 0.449 525 T N 1.152 115.597 114.554 -0.181 0.000 2.708 525 T HA -0.182 4.169 4.350 0.001 0.000 0.266 525 T C 1.688 176.251 174.700 -0.229 0.000 1.037 525 T CA 1.256 63.259 62.100 -0.163 0.000 1.146 525 T CB -0.426 68.422 68.868 -0.034 0.000 0.865 525 T HN 0.251 nan 8.240 nan 0.000 0.435 526 N N 1.106 119.686 118.700 -0.200 0.000 2.084 526 N HA -0.061 4.679 4.740 0.001 0.000 0.190 526 N C 1.948 177.304 175.510 -0.257 0.000 1.030 526 N CA 1.238 54.177 53.050 -0.186 0.000 0.849 526 N CB -0.255 38.152 38.487 -0.133 0.000 1.012 526 N HN 0.376 nan 8.380 nan 0.000 0.423 527 I N 1.154 121.495 120.570 -0.381 0.000 2.286 527 I HA -0.263 3.908 4.170 0.001 0.000 0.248 527 I C 2.294 178.070 176.117 -0.570 0.000 1.115 527 I CA 0.827 61.827 61.300 -0.499 0.000 1.392 527 I CB -0.422 37.125 38.000 -0.754 0.000 1.065 527 I HN 0.230 nan 8.210 nan 0.000 0.418 528 N N 1.802 120.026 118.700 -0.794 0.000 2.058 528 N HA -0.171 4.570 4.740 0.001 0.000 0.191 528 N C 1.760 177.035 175.510 -0.392 0.000 1.037 528 N CA 1.855 54.413 53.050 -0.819 0.000 0.848 528 N CB -0.260 37.791 38.487 -0.726 0.000 1.021 528 N HN 0.289 nan 8.380 nan 0.000 0.422 529 I N -0.281 120.087 120.570 -0.336 0.000 2.315 529 I HA -0.075 4.096 4.170 0.001 0.000 0.248 529 I C 2.344 178.351 176.117 -0.184 0.000 1.117 529 I CA 1.065 62.190 61.300 -0.293 0.000 1.404 529 I CB -0.701 37.092 38.000 -0.346 0.000 1.071 529 I HN 0.238 nan 8.210 nan 0.000 0.419 530 G N 1.018 109.749 108.800 -0.114 0.000 2.404 530 G HA2 -0.264 3.697 3.960 0.001 0.000 0.215 530 G HA3 -0.264 3.697 3.960 0.001 0.000 0.215 530 G C 1.768 176.720 174.900 0.087 0.000 1.174 530 G CA 1.462 46.599 45.100 0.061 0.000 0.780 530 G HN 0.443 nan 8.290 nan 0.000 0.537 531 T N -1.459 113.085 114.554 -0.017 0.000 2.833 531 T HA -0.099 4.251 4.350 0.001 0.000 0.269 531 T C 2.435 177.136 174.700 0.003 0.000 1.054 531 T CA 1.814 63.929 62.100 0.026 0.000 1.135 531 T CB -0.327 68.572 68.868 0.052 0.000 0.869 531 T HN 0.213 nan 8.240 nan 0.000 0.466 532 S N 0.215 115.821 115.700 -0.157 0.000 2.348 532 S HA -0.137 4.334 4.470 0.001 0.000 0.221 532 S C 1.826 176.229 174.600 -0.329 0.000 1.033 532 S CA 0.989 58.887 58.200 -0.504 0.000 1.010 532 S CB -0.763 61.866 63.200 -0.953 0.000 0.891 532 S HN 0.621 nan 8.310 nan 0.000 0.442 533 Y N 1.369 121.556 120.300 -0.188 0.000 2.242 533 Y HA -0.000 4.551 4.550 0.001 0.000 0.291 533 Y C 2.011 178.132 175.900 0.369 0.000 1.137 533 Y CA 1.383 59.558 58.100 0.125 0.000 1.181 533 Y CB -0.526 37.987 38.460 0.088 0.000 0.989 533 Y HN 0.334 nan 8.280 nan 0.000 0.527 534 L N 0.518 121.925 121.223 0.307 0.000 2.046 534 L HA -0.184 4.156 4.340 0.001 0.000 0.208 534 L C 2.386 179.405 176.870 0.249 0.000 1.077 534 L CA 2.212 57.214 54.840 0.270 0.000 0.747 534 L CB -1.047 41.074 42.059 0.102 0.000 0.896 534 L HN 0.349 nan 8.230 nan 0.000 0.432 535 Q N -1.583 118.366 119.800 0.249 0.000 2.119 535 Q HA -0.279 4.062 4.340 0.001 0.000 0.201 535 Q C 2.133 178.373 176.000 0.400 0.000 0.972 535 Q CA 1.978 57.980 55.803 0.331 0.000 0.847 535 Q CB -0.738 28.198 28.738 0.331 0.000 0.903 535 Q HN 0.627 nan 8.270 nan 0.000 0.433 536 Y N 0.538 121.016 120.300 0.297 0.000 2.097 536 Y HA -0.204 4.346 4.550 0.001 0.000 0.282 536 Y C 2.022 177.979 175.900 0.096 0.000 1.152 536 Y CA 2.251 60.481 58.100 0.216 0.000 1.136 536 Y CB -0.745 37.854 38.460 0.231 0.000 0.975 536 Y HN 0.083 nan 8.280 nan 0.000 0.498 537 V N -1.409 118.373 119.914 -0.220 0.000 2.626 537 V HA -0.198 3.922 4.120 0.001 0.000 0.252 537 V C 2.108 178.324 176.094 0.203 0.000 1.067 537 V CA 1.815 64.038 62.300 -0.129 0.000 1.081 537 V CB -1.720 30.112 31.823 0.016 0.000 0.686 537 V HN 0.506 nan 8.190 nan 0.000 0.468 538 Y N 3.132 123.503 120.300 0.119 0.000 2.114 538 Y HA -0.228 4.323 4.550 0.001 0.000 0.284 538 Y C 2.762 178.723 175.900 0.103 0.000 1.143 538 Y CA 2.576 60.772 58.100 0.159 0.000 1.135 538 Y CB -0.529 38.039 38.460 0.181 0.000 0.980 538 Y HN 0.536 nan 8.280 nan 0.000 0.499 539 Q N 0.250 120.119 119.800 0.115 0.000 2.167 539 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 539 Q C 2.124 178.050 176.000 -0.124 0.000 0.970 539 Q CA 2.078 57.866 55.803 -0.025 0.000 0.855 539 Q CB -0.916 27.856 28.738 0.057 0.000 0.911 539 Q HN 0.682 nan 8.270 nan 0.000 0.438 540 Q N -0.383 119.293 119.800 -0.207 0.000 2.170 540 Q HA -0.101 4.239 4.340 0.001 0.000 0.203 540 Q C 0.179 175.874 176.000 -0.509 0.000 0.976 540 Q CA 1.130 56.679 55.803 -0.424 0.000 0.858 540 Q CB 0.011 28.335 28.738 -0.690 0.000 0.907 540 Q HN 0.522 nan 8.270 nan 0.000 0.433 541 F N -0.210 119.660 119.950 -0.133 0.000 2.837 541 F HA 0.370 4.897 4.527 0.001 0.000 0.298 541 F C 0.940 176.717 175.800 -0.038 0.000 1.161 541 F CA 0.247 58.209 58.000 -0.063 0.000 1.353 541 F CB 0.875 39.910 39.000 0.059 0.000 0.951 541 F HN 0.180 nan 8.300 nan 0.000 0.508 542 G N 1.117 109.896 108.800 -0.036 0.000 2.273 542 G HA2 -0.383 3.577 3.960 0.001 0.000 0.280 542 G HA3 -0.383 3.577 3.960 0.001 0.000 0.280 542 G C 0.375 175.136 174.900 -0.232 0.000 1.047 542 G CA 0.223 45.264 45.100 -0.098 0.000 0.869 542 G HN 0.487 nan 8.290 nan 0.000 0.502 543 N N -1.149 117.240 118.700 -0.518 0.000 2.740 543 N HA -0.175 4.566 4.740 0.001 0.000 0.248 543 N C -0.174 174.919 175.510 -0.696 0.000 1.062 543 N CA 1.530 53.880 53.050 -1.165 0.000 0.704 543 N CB -1.102 36.998 38.487 -0.646 0.000 0.968 543 N HN 0.881 nan 8.380 nan 0.000 0.547 544 N N 0.482 118.951 118.700 -0.384 0.000 2.446 544 N HA 0.249 4.989 4.740 0.001 0.000 0.265 544 N C 0.844 176.286 175.510 -0.113 0.000 0.975 544 N CA -0.410 52.502 53.050 -0.231 0.000 0.928 544 N CB 0.776 39.052 38.487 -0.350 0.000 1.160 544 N HN 0.170 nan 8.380 nan 0.000 0.495 545 R N 2.758 123.198 120.500 -0.100 0.000 2.189 545 R HA 0.047 4.387 4.340 0.001 0.000 0.223 545 R C 1.632 177.928 176.300 -0.007 0.000 1.092 545 R CA 1.027 57.043 56.100 -0.140 0.000 0.989 545 R CB 0.171 30.238 30.300 -0.388 0.000 0.876 545 R HN 0.622 nan 8.270 nan 0.000 0.457 546 I N -0.079 120.439 120.570 -0.088 0.000 2.202 546 I HA -0.253 3.918 4.170 0.001 0.000 0.242 546 I C 1.601 177.806 176.117 0.147 0.000 1.091 546 I CA 1.213 62.514 61.300 0.001 0.000 1.368 546 I CB -0.203 37.743 38.000 -0.088 0.000 1.058 546 I HN 0.014 nan 8.210 nan 0.000 0.410 547 F N 1.235 121.202 119.950 0.028 0.000 2.146 547 F HA -0.199 4.328 4.527 0.001 0.000 0.298 547 F C 3.019 178.705 175.800 -0.190 0.000 1.096 547 F CA 1.312 59.196 58.000 -0.193 0.000 1.275 547 F CB -1.655 37.128 39.000 -0.362 0.000 1.008 547 F HN 0.154 nan 8.300 nan 0.000 0.480 548 S N -0.919 114.919 115.700 0.230 0.000 2.383 548 S HA -0.143 4.328 4.470 0.001 0.000 0.227 548 S C 2.099 176.935 174.600 0.393 0.000 1.026 548 S CA 1.311 59.711 58.200 0.332 0.000 0.981 548 S CB -0.871 62.639 63.200 0.516 0.000 0.818 548 S HN 0.256 nan 8.310 nan 0.000 0.472 549 S N 2.436 118.388 115.700 0.419 0.000 2.371 549 S HA 0.181 4.652 4.470 0.001 0.000 0.224 549 S C 2.362 177.211 174.600 0.415 0.000 1.029 549 S CA 0.910 59.408 58.200 0.496 0.000 0.978 549 S CB -0.801 62.674 63.200 0.459 0.000 0.833 549 S HN 0.768 nan 8.310 nan 0.000 0.466 550 A N 1.620 124.633 122.820 0.322 0.000 1.933 550 A HA 0.127 4.448 4.320 0.001 0.000 0.218 550 A C 2.325 180.002 177.584 0.155 0.000 1.175 550 A CA 1.664 53.873 52.037 0.285 0.000 0.628 550 A CB -0.992 18.256 19.000 0.413 0.000 0.814 550 A HN 0.507 nan 8.150 nan 0.000 0.444 551 A N -1.872 121.004 122.820 0.094 0.000 1.930 551 A HA -0.063 4.257 4.320 0.001 0.000 0.217 551 A C 2.112 179.812 177.584 0.194 0.000 1.175 551 A CA 1.478 53.556 52.037 0.067 0.000 0.627 551 A CB -0.737 18.287 19.000 0.040 0.000 0.815 551 A HN 0.650 nan 8.150 nan 0.000 0.443 552 Y N 0.875 121.268 120.300 0.155 0.000 2.224 552 Y HA -0.190 4.361 4.550 0.001 0.000 0.289 552 Y C 2.398 178.331 175.900 0.055 0.000 1.146 552 Y CA 2.046 60.276 58.100 0.215 0.000 1.182 552 Y CB -0.075 38.530 38.460 0.242 0.000 0.983 552 Y HN 0.481 nan 8.280 nan 0.000 0.524 553 N N -0.511 118.188 118.700 -0.001 0.000 2.220 553 N HA -0.073 4.668 4.740 0.001 0.000 0.182 553 N C 1.506 176.978 175.510 -0.064 0.000 1.023 553 N CA 1.132 54.032 53.050 -0.252 0.000 0.856 553 N CB -0.015 38.019 38.487 -0.754 0.000 0.997 553 N HN 0.348 nan 8.380 nan 0.000 0.429 554 A N -0.003 122.831 122.820 0.023 0.000 2.343 554 A HA 0.467 4.787 4.320 0.001 0.000 0.223 554 A C 0.653 178.236 177.584 -0.002 0.000 1.214 554 A CA 0.635 52.716 52.037 0.073 0.000 0.900 554 A CB 0.048 19.132 19.000 0.141 0.000 0.942 554 A HN 0.473 nan 8.150 nan 0.000 0.507 555 G N -0.668 108.140 108.800 0.013 0.000 2.719 555 G HA2 -0.044 3.916 3.960 0.001 0.000 0.686 555 G HA3 -0.044 3.916 3.960 0.001 0.000 0.686 555 G C -1.679 173.232 174.900 0.019 0.000 1.201 555 G CA -0.348 44.783 45.100 0.051 0.000 0.768 555 G HN 0.001 nan 8.290 nan 0.000 0.629 556 P HA -0.098 nan 4.420 nan 0.000 0.216 556 P C 2.147 179.513 177.300 0.111 0.000 1.153 556 P CA 2.326 65.568 63.100 0.237 0.000 0.858 556 P CB -0.014 31.841 31.700 0.260 0.000 0.789 557 G N -0.127 108.681 108.800 0.014 0.000 2.446 557 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 557 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 557 G C 1.748 176.520 174.900 -0.213 0.000 1.168 557 G CA 0.520 45.584 45.100 -0.060 0.000 0.771 557 G HN 0.133 nan 8.290 nan 0.000 0.551 558 R N 0.093 120.372 120.500 -0.369 0.000 2.081 558 R HA -0.029 4.312 4.340 0.001 0.000 0.235 558 R C 2.764 178.352 176.300 -1.187 0.000 1.131 558 R CA 0.996 56.589 56.100 -0.844 0.000 0.960 558 R CB -1.099 28.595 30.300 -1.009 0.000 0.856 558 R HN 0.366 nan 8.270 nan 0.000 0.436 559 V N 1.111 120.583 119.914 -0.737 0.000 2.343 559 V HA -0.233 3.888 4.120 0.001 0.000 0.247 559 V C 2.516 178.506 176.094 -0.173 0.000 1.051 559 V CA 1.665 63.711 62.300 -0.424 0.000 1.036 559 V CB -0.476 31.071 31.823 -0.460 0.000 0.654 559 V HN 0.305 nan 8.190 nan 0.000 0.451 560 R N -0.239 120.217 120.500 -0.073 0.000 2.091 560 R HA -0.160 4.181 4.340 0.001 0.000 0.238 560 R C 2.447 178.724 176.300 -0.038 0.000 1.136 560 R CA 2.001 58.100 56.100 -0.002 0.000 0.959 560 R CB -0.778 29.523 30.300 0.002 0.000 0.856 560 R HN 0.500 nan 8.270 nan 0.000 0.437 561 T N 0.024 114.501 114.554 -0.127 0.000 2.708 561 T HA -0.163 4.188 4.350 0.001 0.000 0.266 561 T C 1.318 176.076 174.700 0.096 0.000 1.037 561 T CA 1.254 63.313 62.100 -0.069 0.000 1.146 561 T CB -0.178 68.593 68.868 -0.161 0.000 0.865 561 T HN 0.353 nan 8.240 nan 0.000 0.435 562 W N 1.267 122.566 121.300 -0.002 0.000 2.358 562 W HA 0.124 4.785 4.660 0.001 0.000 0.303 562 W C 2.073 178.702 176.519 0.184 0.000 1.208 562 W CA 0.054 57.418 57.345 0.031 0.000 1.274 562 W CB -1.432 28.020 29.460 -0.014 0.000 1.138 562 W HN 0.278 nan 8.180 nan 0.000 0.515 563 L N -0.259 121.195 121.223 0.384 0.000 2.141 563 L HA -0.053 4.287 4.340 0.001 0.000 0.209 563 L C 2.612 179.569 176.870 0.146 0.000 1.094 563 L CA 1.407 56.387 54.840 0.234 0.000 0.763 563 L CB -1.210 40.816 42.059 -0.055 0.000 0.908 563 L HN 0.011 nan 8.230 nan 0.000 0.437 564 G N -0.548 108.318 108.800 0.109 0.000 2.443 564 G HA2 -0.215 3.746 3.960 0.001 0.000 0.219 564 G HA3 -0.215 3.746 3.960 0.001 0.000 0.219 564 G C 1.366 176.321 174.900 0.092 0.000 1.131 564 G CA 0.397 45.540 45.100 0.072 0.000 0.775 564 G HN 0.304 nan 8.290 nan 0.000 0.547 565 N N 1.272 120.051 118.700 0.133 0.000 2.109 565 N HA -0.100 4.640 4.740 0.001 0.000 0.188 565 N C 2.713 178.290 175.510 0.112 0.000 1.034 565 N CA 1.663 54.781 53.050 0.113 0.000 0.846 565 N CB -0.547 38.013 38.487 0.122 0.000 1.010 565 N HN 0.399 nan 8.380 nan 0.000 0.425 566 S N 0.502 116.306 115.700 0.173 0.000 2.383 566 S HA 0.103 4.574 4.470 0.001 0.000 0.227 566 S C 1.270 175.956 174.600 0.143 0.000 1.026 566 S CA 0.853 59.163 58.200 0.183 0.000 0.981 566 S CB -0.444 62.962 63.200 0.343 0.000 0.818 566 S HN 0.489 nan 8.310 nan 0.000 0.472 567 A N 0.694 123.592 122.820 0.129 0.000 2.783 567 A HA 0.127 4.448 4.320 0.001 0.000 0.292 567 A C 1.566 179.192 177.584 0.070 0.000 1.495 567 A CA 0.994 53.078 52.037 0.079 0.000 0.787 567 A CB -2.323 16.712 19.000 0.058 0.000 1.017 567 A HN 2.272 nan 8.150 nan 0.000 0.516 568 G N -1.984 106.870 108.800 0.090 0.000 2.148 568 G HA2 -0.349 3.612 3.960 0.001 0.000 0.254 568 G HA3 -0.349 3.612 3.960 0.001 0.000 0.254 568 G C 0.674 175.628 174.900 0.090 0.000 0.981 568 G CA 1.141 46.285 45.100 0.074 0.000 0.670 568 G HN 1.109 nan 8.290 nan 0.000 0.528 569 R N -0.297 120.267 120.500 0.107 0.000 2.280 569 R HA 0.395 4.736 4.340 0.001 0.000 0.195 569 R C 1.622 177.986 176.300 0.107 0.000 0.935 569 R CA 1.058 57.212 56.100 0.090 0.000 1.033 569 R CB 0.179 30.522 30.300 0.071 0.000 0.964 569 R HN 0.753 nan 8.270 nan 0.000 0.489 570 I N -1.794 118.872 120.570 0.160 0.000 3.170 570 I HA 0.441 4.612 4.170 0.001 0.000 0.312 570 I C -0.917 175.319 176.117 0.198 0.000 1.085 570 I CA -1.392 60.003 61.300 0.158 0.000 0.999 570 I CB 1.762 39.848 38.000 0.144 0.000 1.233 570 I HN -0.209 nan 8.210 nan 0.000 0.467 571 D N 1.986 122.455 120.400 0.114 0.000 2.466 571 D HA 0.450 5.091 4.640 0.001 0.000 0.262 571 D C 1.019 177.145 176.300 -0.290 0.000 1.177 571 D CA -0.180 53.823 54.000 0.005 0.000 1.035 571 D CB 1.228 41.983 40.800 -0.075 0.000 1.105 571 D HN 0.716 nan 8.370 nan 0.000 0.551 572 A N -0.083 122.381 122.820 -0.592 0.000 1.892 572 A HA -0.139 4.182 4.320 0.001 0.000 0.218 572 A C 2.250 179.595 177.584 -0.397 0.000 1.188 572 A CA 2.301 53.765 52.037 -0.955 0.000 0.631 572 A CB -1.171 17.500 19.000 -0.547 0.000 0.822 572 A HN 0.417 nan 8.150 nan 0.000 0.447 573 V N -0.302 119.500 119.914 -0.187 0.000 2.358 573 V HA -0.196 3.925 4.120 0.001 0.000 0.246 573 V C 2.996 179.312 176.094 0.371 0.000 1.047 573 V CA 1.837 64.189 62.300 0.087 0.000 1.035 573 V CB -1.387 30.424 31.823 -0.021 0.000 0.658 573 V HN 0.613 nan 8.190 nan 0.000 0.452 574 A N -0.436 122.619 122.820 0.391 0.000 1.933 574 A HA -0.203 4.117 4.320 0.001 0.000 0.218 574 A C 2.106 179.709 177.584 0.032 0.000 1.175 574 A CA 1.812 53.948 52.037 0.165 0.000 0.628 574 A CB -0.676 18.335 19.000 0.020 0.000 0.814 574 A HN 0.516 nan 8.150 nan 0.000 0.444 575 F N 0.538 120.424 119.950 -0.107 0.000 2.102 575 F HA -0.141 4.386 4.527 0.001 0.000 0.298 575 F C 2.249 177.995 175.800 -0.090 0.000 1.105 575 F CA 1.913 59.857 58.000 -0.092 0.000 1.239 575 F CB -0.222 38.701 39.000 -0.129 0.000 0.991 575 F HN 0.033 nan 8.300 nan 0.000 0.474 576 V N 0.225 120.134 119.914 -0.008 0.000 2.295 576 V HA -0.297 3.823 4.120 0.001 0.000 0.246 576 V C 2.318 178.303 176.094 -0.181 0.000 1.049 576 V CA 2.264 64.501 62.300 -0.105 0.000 1.024 576 V CB -0.706 31.061 31.823 -0.093 0.000 0.648 576 V HN 0.293 nan 8.190 nan 0.000 0.447 577 E N 0.954 121.136 120.200 -0.029 0.000 2.150 577 E HA -0.152 4.199 4.350 0.001 0.000 0.193 577 E C 2.155 178.687 176.600 -0.112 0.000 0.985 577 E CA 1.377 57.788 56.400 0.020 0.000 0.814 577 E CB -0.277 29.594 29.700 0.286 0.000 0.752 577 E HN 0.731 nan 8.360 nan 0.000 0.466 578 S N -0.583 114.977 115.700 -0.233 0.000 2.593 578 S HA 0.115 4.585 4.470 0.001 0.000 0.217 578 S C 0.847 175.150 174.600 -0.495 0.000 0.966 578 S CA -0.362 57.653 58.200 -0.307 0.000 0.914 578 S CB -0.456 62.568 63.200 -0.293 0.000 0.776 578 S HN 0.177 nan 8.310 nan 0.000 0.523 579 I N 4.093 124.284 120.570 -0.632 0.000 2.742 579 I HA 0.048 4.218 4.170 0.001 0.000 0.287 579 I C -0.927 174.777 176.117 -0.688 0.000 1.186 579 I CA -1.318 59.402 61.300 -0.967 0.000 1.417 579 I CB 0.837 38.335 38.000 -0.837 0.000 1.377 579 I HN 0.152 nan 8.210 nan 0.000 0.556 580 P HA -0.097 nan 4.420 nan 0.000 0.226 580 P C 0.102 177.463 177.300 0.101 0.000 1.153 580 P CA 0.993 63.929 63.100 -0.273 0.000 0.777 580 P CB 0.179 31.751 31.700 -0.214 0.000 0.794 581 F N 0.765 120.592 119.950 -0.205 0.000 2.404 581 F HA 0.232 4.760 4.527 0.001 0.000 0.358 581 F C 1.898 177.662 175.800 -0.061 0.000 1.120 581 F CA -1.404 56.580 58.000 -0.027 0.000 1.144 581 F CB 0.423 39.500 39.000 0.128 0.000 1.133 581 F HN -0.164 nan 8.300 nan 0.000 0.495 582 S N 1.746 117.531 115.700 0.143 0.000 2.383 582 S HA -0.219 4.251 4.470 0.001 0.000 0.229 582 S C 2.013 176.657 174.600 0.074 0.000 1.030 582 S CA 1.469 59.711 58.200 0.070 0.000 1.002 582 S CB -0.194 63.036 63.200 0.050 0.000 0.829 582 S HN 0.775 nan 8.310 nan 0.000 0.467 583 E N 0.718 120.977 120.200 0.098 0.000 2.051 583 E HA -0.165 4.185 4.350 0.001 0.000 0.192 583 E C 1.763 178.456 176.600 0.156 0.000 0.991 583 E CA 1.626 58.090 56.400 0.108 0.000 0.799 583 E CB -0.174 29.576 29.700 0.084 0.000 0.748 583 E HN 0.450 nan 8.360 nan 0.000 0.449 584 T N 0.631 115.307 114.554 0.203 0.000 2.821 584 T HA -0.136 4.215 4.350 0.001 0.000 0.267 584 T C 1.861 176.636 174.700 0.126 0.000 1.046 584 T CA 1.262 63.485 62.100 0.206 0.000 1.139 584 T CB -0.250 68.824 68.868 0.343 0.000 0.871 584 T HN 0.181 nan 8.240 nan 0.000 0.454 585 R N 0.732 121.243 120.500 0.018 0.000 2.073 585 R HA -0.063 4.277 4.340 0.001 0.000 0.234 585 R C 2.717 178.960 176.300 -0.095 0.000 1.134 585 R CA 1.644 57.689 56.100 -0.091 0.000 0.952 585 R CB -0.682 29.543 30.300 -0.125 0.000 0.850 585 R HN 0.434 nan 8.270 nan 0.000 0.433 586 G N -0.602 108.178 108.800 -0.033 0.000 2.408 586 G HA2 -0.314 3.646 3.960 0.001 0.000 0.217 586 G HA3 -0.314 3.646 3.960 0.001 0.000 0.217 586 G C 1.242 176.112 174.900 -0.049 0.000 1.150 586 G CA 0.639 45.703 45.100 -0.061 0.000 0.776 586 G HN 0.454 nan 8.290 nan 0.000 0.542 587 Y N 1.198 121.452 120.300 -0.076 0.000 2.145 587 Y HA -0.145 4.406 4.550 0.001 0.000 0.286 587 Y C 2.840 178.674 175.900 -0.111 0.000 1.145 587 Y CA 1.738 59.804 58.100 -0.056 0.000 1.148 587 Y CB -0.286 38.196 38.460 0.037 0.000 0.981 587 Y HN 0.035 nan 8.280 nan 0.000 0.507 588 V N 0.782 120.771 119.914 0.125 0.000 2.343 588 V HA -0.326 3.795 4.120 0.001 0.000 0.247 588 V C 2.245 178.181 176.094 -0.263 0.000 1.051 588 V CA 2.333 64.633 62.300 -0.001 0.000 1.036 588 V CB -0.610 31.232 31.823 0.030 0.000 0.654 588 V HN 0.354 nan 8.190 nan 0.000 0.451 589 K N 0.079 120.210 120.400 -0.449 0.000 2.032 589 K HA -0.188 4.133 4.320 0.001 0.000 0.209 589 K C 2.102 178.427 176.600 -0.458 0.000 1.048 589 K CA 1.766 57.611 56.287 -0.736 0.000 0.927 589 K CB -0.342 31.678 32.500 -0.799 0.000 0.712 589 K HN 0.402 nan 8.250 nan 0.000 0.441 590 N N 0.645 119.058 118.700 -0.480 0.000 2.084 590 N HA -0.135 4.605 4.740 0.001 0.000 0.190 590 N C 1.876 176.781 175.510 -1.009 0.000 1.030 590 N CA 1.022 53.605 53.050 -0.778 0.000 0.849 590 N CB -0.563 37.474 38.487 -0.750 0.000 1.012 590 N HN -0.067 nan 8.380 nan 0.000 0.423 591 V N 1.640 121.153 119.914 -0.667 0.000 2.332 591 V HA -0.173 3.948 4.120 0.001 0.000 0.248 591 V C 2.330 178.309 176.094 -0.191 0.000 1.055 591 V CA 1.203 63.256 62.300 -0.412 0.000 1.038 591 V CB -0.534 31.109 31.823 -0.299 0.000 0.651 591 V HN 0.257 nan 8.190 nan 0.000 0.450 592 L N -0.055 121.073 121.223 -0.160 0.000 2.056 592 L HA -0.137 4.203 4.340 0.001 0.000 0.207 592 L C 2.740 179.508 176.870 -0.171 0.000 1.078 592 L CA 1.550 56.349 54.840 -0.068 0.000 0.749 592 L CB -0.840 41.248 42.059 0.049 0.000 0.901 592 L HN 0.365 nan 8.230 nan 0.000 0.433 593 A N -0.588 122.068 122.820 -0.274 0.000 1.898 593 A HA -0.214 4.107 4.320 0.001 0.000 0.216 593 A C 2.085 179.247 177.584 -0.703 0.000 1.181 593 A CA 1.336 53.072 52.037 -0.501 0.000 0.620 593 A CB -0.716 18.035 19.000 -0.415 0.000 0.819 593 A HN 0.336 nan 8.150 nan 0.000 0.442 594 Y N 0.085 120.091 120.300 -0.490 0.000 2.242 594 Y HA -0.134 4.417 4.550 0.001 0.000 0.291 594 Y C 2.274 178.110 175.900 -0.107 0.000 1.137 594 Y CA 0.732 58.624 58.100 -0.347 0.000 1.181 594 Y CB -1.011 37.463 38.460 0.023 0.000 0.989 594 Y HN 0.397 nan 8.280 nan 0.000 0.527 595 D N -0.092 120.373 120.400 0.108 0.000 2.144 595 D HA -0.122 4.519 4.640 0.001 0.000 0.199 595 D C 2.222 178.566 176.300 0.074 0.000 0.984 595 D CA 1.222 55.321 54.000 0.164 0.000 0.834 595 D CB -0.095 40.796 40.800 0.151 0.000 0.955 595 D HN 0.218 nan 8.370 nan 0.000 0.465 596 A N -0.455 122.301 122.820 -0.106 0.000 1.902 596 A HA -0.182 4.139 4.320 0.001 0.000 0.217 596 A C 2.058 179.624 177.584 -0.030 0.000 1.181 596 A CA 1.116 53.078 52.037 -0.126 0.000 0.623 596 A CB -1.008 17.826 19.000 -0.277 0.000 0.818 596 A HN 0.272 nan 8.150 nan 0.000 0.443 597 Y N -1.569 118.643 120.300 -0.148 0.000 2.181 597 Y HA -0.184 4.367 4.550 0.001 0.000 0.288 597 Y C 2.289 178.116 175.900 -0.122 0.000 1.146 597 Y CA 0.832 58.770 58.100 -0.269 0.000 1.164 597 Y CB -1.297 36.788 38.460 -0.626 0.000 0.982 597 Y HN 0.416 nan 8.280 nan 0.000 0.515 598 Y N -0.141 120.314 120.300 0.258 0.000 2.242 598 Y HA -0.166 4.385 4.550 0.001 0.000 0.291 598 Y C 2.537 178.545 175.900 0.181 0.000 1.137 598 Y CA 1.174 59.436 58.100 0.270 0.000 1.181 598 Y CB -0.468 38.106 38.460 0.189 0.000 0.989 598 Y HN -0.019 nan 8.280 nan 0.000 0.527 599 R N -1.415 119.229 120.500 0.239 0.000 2.096 599 R HA -0.230 4.110 4.340 0.001 0.000 0.235 599 R C 2.062 178.415 176.300 0.089 0.000 1.127 599 R CA 1.735 57.920 56.100 0.142 0.000 0.968 599 R CB -0.691 29.664 30.300 0.091 0.000 0.861 599 R HN 0.412 nan 8.270 nan 0.000 0.440 600 Y N 0.314 120.578 120.300 -0.060 0.000 2.145 600 Y HA -0.211 4.339 4.550 0.001 0.000 0.286 600 Y C 1.611 177.393 175.900 -0.197 0.000 1.145 600 Y CA 1.509 59.494 58.100 -0.191 0.000 1.148 600 Y CB -0.266 37.976 38.460 -0.362 0.000 0.981 600 Y HN -0.103 nan 8.280 nan 0.000 0.507 601 F N -0.317 119.662 119.950 0.049 0.000 2.546 601 F HA -0.108 4.419 4.527 0.001 0.000 0.298 601 F C 1.931 177.708 175.800 -0.038 0.000 1.120 601 F CA 1.013 59.000 58.000 -0.022 0.000 1.456 601 F CB -0.564 38.498 39.000 0.102 0.000 1.088 601 F HN 0.139 nan 8.300 nan 0.000 0.572 602 M N -1.110 118.561 119.600 0.119 0.000 2.428 602 M HA 0.272 4.753 4.480 0.001 0.000 0.239 602 M C 1.482 177.778 176.300 -0.008 0.000 1.121 602 M CA 0.672 56.019 55.300 0.078 0.000 1.019 602 M CB 0.097 32.761 32.600 0.108 0.000 1.485 602 M HN 0.207 nan 8.290 nan 0.000 0.484 603 G N 1.160 109.898 108.800 -0.104 0.000 2.132 603 G HA2 -0.171 3.789 3.960 0.001 0.000 0.234 603 G HA3 -0.171 3.789 3.960 0.001 0.000 0.234 603 G C -0.519 174.331 174.900 -0.083 0.000 0.989 603 G CA -0.167 44.855 45.100 -0.131 0.000 0.676 603 G HN 0.427 nan 8.290 nan 0.000 0.522 604 D N -0.347 120.022 120.400 -0.052 0.000 2.384 604 D HA 0.426 5.066 4.640 0.001 0.000 0.250 604 D C 0.345 176.646 176.300 0.002 0.000 1.029 604 D CA -0.614 53.378 54.000 -0.013 0.000 0.990 604 D CB 1.036 41.845 40.800 0.014 0.000 1.175 604 D HN 0.203 nan 8.370 nan 0.000 0.532 605 K N 1.750 122.155 120.400 0.008 0.000 2.383 605 K HA 0.123 4.444 4.320 0.001 0.000 0.286 605 K C -1.832 174.780 176.600 0.021 0.000 1.051 605 K CA -1.139 55.159 56.287 0.018 0.000 0.974 605 K CB 0.645 33.142 32.500 -0.004 0.000 0.968 605 K HN 0.084 nan 8.250 nan 0.000 0.475 606 P HA 0.010 nan 4.420 nan 0.000 0.254 606 P C -0.801 176.468 177.300 -0.051 0.000 1.631 606 P CA -0.207 62.906 63.100 0.020 0.000 0.861 606 P CB -0.188 31.555 31.700 0.071 0.000 1.663 607 T N 1.369 115.882 114.554 -0.069 0.000 2.908 607 T HA -0.040 4.310 4.350 0.001 0.000 0.301 607 T C 1.523 176.122 174.700 -0.169 0.000 1.019 607 T CA -0.069 61.950 62.100 -0.135 0.000 1.152 607 T CB 0.645 69.427 68.868 -0.144 0.000 0.966 607 T HN -0.015 nan 8.240 nan 0.000 0.540 608 L N 3.368 124.445 121.223 -0.244 0.000 1.990 608 L HA 0.008 4.348 4.340 0.001 0.000 0.213 608 L C 0.799 177.580 176.870 -0.148 0.000 1.072 608 L CA 1.910 56.602 54.840 -0.246 0.000 0.755 608 L CB -0.212 41.634 42.059 -0.354 0.000 0.889 608 L HN 0.662 nan 8.230 nan 0.000 0.432 609 M N -1.599 117.924 119.600 -0.128 0.000 2.619 609 M HA 0.317 4.798 4.480 0.001 0.000 0.297 609 M C 0.191 176.472 176.300 -0.032 0.000 1.229 609 M CA -0.630 54.658 55.300 -0.021 0.000 0.860 609 M CB 2.036 34.723 32.600 0.145 0.000 1.741 609 M HN 0.084 nan 8.290 nan 0.000 0.462 610 S N 0.802 116.505 115.700 0.005 0.000 2.600 610 S HA 0.423 4.894 4.470 0.001 0.000 0.265 610 S C 1.035 175.667 174.600 0.053 0.000 1.325 610 S CA -0.077 58.126 58.200 0.005 0.000 1.002 610 S CB 1.102 64.308 63.200 0.010 0.000 0.921 610 S HN 0.784 nan 8.310 nan 0.000 0.554 611 A N 1.518 124.360 122.820 0.036 0.000 1.933 611 A HA -0.011 4.309 4.320 0.001 0.000 0.218 611 A C 2.254 179.915 177.584 0.129 0.000 1.175 611 A CA 2.050 54.136 52.037 0.083 0.000 0.628 611 A CB -1.843 17.182 19.000 0.043 0.000 0.814 611 A HN 0.893 nan 8.150 nan 0.000 0.444 612 T N -0.083 114.515 114.554 0.073 0.000 2.708 612 T HA -0.133 4.218 4.350 0.001 0.000 0.266 612 T C 1.792 176.530 174.700 0.063 0.000 1.037 612 T CA 1.701 63.831 62.100 0.049 0.000 1.146 612 T CB -0.253 68.619 68.868 0.005 0.000 0.865 612 T HN 0.667 nan 8.240 nan 0.000 0.435 613 E N 0.053 120.295 120.200 0.070 0.000 2.077 613 E HA -0.125 4.225 4.350 0.001 0.000 0.193 613 E C 1.980 178.711 176.600 0.218 0.000 0.989 613 E CA 0.839 57.295 56.400 0.093 0.000 0.800 613 E CB -0.139 29.591 29.700 0.051 0.000 0.746 613 E HN 0.574 nan 8.360 nan 0.000 0.452 614 W N 0.866 122.176 121.300 0.016 0.000 2.363 614 W HA -0.081 4.580 4.660 0.001 0.000 0.296 614 W C 1.753 178.313 176.519 0.068 0.000 1.212 614 W CA 1.643 58.997 57.345 0.016 0.000 1.260 614 W CB -0.003 29.443 29.460 -0.022 0.000 1.131 614 W HN 0.082 nan 8.180 nan 0.000 0.530 615 G N 0.442 109.361 108.800 0.198 0.000 2.986 615 G HA2 0.005 3.965 3.960 0.001 0.000 0.213 615 G HA3 0.005 3.965 3.960 0.001 0.000 0.213 615 G C 0.817 175.762 174.900 0.075 0.000 1.156 615 G CA -0.535 44.625 45.100 0.099 0.000 0.763 615 G HN -0.008 nan 8.290 nan 0.000 0.547 616 R N 0.738 121.293 120.500 0.092 0.000 2.734 616 R HA 0.216 4.557 4.340 0.001 0.000 0.266 616 R C -0.118 176.212 176.300 0.050 0.000 1.044 616 R CA -0.187 55.907 56.100 -0.011 0.000 1.128 616 R CB 0.372 30.545 30.300 -0.213 0.000 1.010 616 R HN 0.098 nan 8.270 nan 0.000 0.461 617 R N 2.070 122.546 120.500 -0.039 0.000 2.349 617 R HA 0.222 4.563 4.340 0.001 0.000 0.299 617 R C -0.918 175.355 176.300 -0.044 0.000 1.027 617 R CA -0.275 55.859 56.100 0.057 0.000 0.958 617 R CB 0.841 31.158 30.300 0.028 0.000 1.047 617 R HN 0.471 nan 8.270 nan 0.000 0.468 618 Y N 0.000 120.330 120.300 0.050 0.000 2.660 618 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 618 Y CA 0.000 58.141 58.100 0.067 0.000 1.940 618 Y CB 0.000 38.504 38.460 0.073 0.000 1.050 618 Y HN 0.000 nan 8.280 nan 0.000 0.758