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 1xpy_1_B DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.508 176.300 0.346 0.000 0.893 6 R CA 0.000 56.247 56.100 0.245 0.000 0.921 6 R CB 0.000 30.385 30.300 0.142 0.000 0.687 7 M N 1.205 120.935 119.600 0.216 0.000 2.207 7 M HA 0.324 4.803 4.480 -0.001 0.000 0.311 7 M C -0.504 175.969 176.300 0.289 0.000 1.127 7 M CA 0.177 55.580 55.300 0.173 0.000 1.181 7 M CB 0.093 32.693 32.600 -0.001 0.000 1.409 7 M HN 0.522 nan 8.290 nan 0.000 0.461 8 F N -0.583 119.428 119.950 0.102 0.000 2.556 8 F HA 0.649 5.175 4.527 -0.001 0.000 0.314 8 F C -0.882 174.995 175.800 0.128 0.000 1.106 8 F CA -1.222 56.859 58.000 0.135 0.000 0.911 8 F CB 1.027 40.145 39.000 0.196 0.000 1.190 8 F HN 0.386 nan 8.300 nan 0.000 0.448 9 K N 4.441 124.969 120.400 0.213 0.000 2.213 9 K HA 0.558 4.878 4.320 -0.001 0.000 0.270 9 K C -1.053 175.695 176.600 0.247 0.000 1.002 9 K CA -0.653 55.704 56.287 0.117 0.000 0.868 9 K CB 1.109 33.650 32.500 0.067 0.000 1.093 9 K HN 0.868 nan 8.250 nan 0.000 0.454 10 I N 5.017 125.745 120.570 0.263 0.000 2.291 10 I HA 0.043 4.213 4.170 -0.001 0.000 0.292 10 I C 1.145 177.376 176.117 0.189 0.000 1.064 10 I CA -0.051 61.413 61.300 0.273 0.000 1.269 10 I CB 1.041 39.224 38.000 0.305 0.000 1.418 10 I HN 0.684 nan 8.210 nan 0.000 0.485 11 E N 4.934 125.240 120.200 0.177 0.000 2.216 11 E HA 0.222 4.571 4.350 -0.001 0.000 0.192 11 E C 0.460 177.143 176.600 0.139 0.000 0.973 11 E CA 0.273 56.754 56.400 0.134 0.000 0.851 11 E CB 0.657 30.425 29.700 0.113 0.000 0.804 11 E HN 0.698 nan 8.360 nan 0.000 0.477 12 A N 0.553 123.486 122.820 0.190 0.000 2.594 12 A HA 0.760 5.079 4.320 -0.001 0.000 0.291 12 A C -1.562 176.176 177.584 0.257 0.000 1.105 12 A CA -0.174 51.986 52.037 0.205 0.000 0.694 12 A CB 1.928 21.026 19.000 0.164 0.000 1.291 12 A HN 0.072 nan 8.150 nan 0.000 0.410 13 A N 0.469 123.435 122.820 0.243 0.000 2.486 13 A HA 0.772 5.091 4.320 -0.001 0.000 0.300 13 A C -1.056 176.665 177.584 0.230 0.000 1.048 13 A CA -0.423 51.739 52.037 0.208 0.000 0.696 13 A CB 1.227 20.322 19.000 0.158 0.000 1.278 13 A HN 0.738 nan 8.150 nan 0.000 0.405 14 E N 1.363 121.670 120.200 0.178 0.000 2.234 14 E HA 0.529 4.878 4.350 -0.001 0.000 0.266 14 E C -1.221 175.446 176.600 0.113 0.000 0.877 14 E CA -0.459 56.033 56.400 0.154 0.000 0.758 14 E CB 2.402 32.189 29.700 0.144 0.000 1.170 14 E HN 0.583 nan 8.360 nan 0.000 0.415 15 I N 2.801 123.442 120.570 0.119 0.000 2.321 15 I HA 0.311 4.480 4.170 -0.001 0.000 0.291 15 I C -0.641 175.504 176.117 0.047 0.000 0.998 15 I CA -0.940 60.405 61.300 0.075 0.000 1.227 15 I CB 1.202 39.253 38.000 0.086 0.000 1.368 15 I HN 0.167 nan 8.210 nan 0.000 0.466 16 V N 7.199 127.127 119.914 0.024 0.000 2.487 16 V HA 0.356 4.475 4.120 -0.001 0.000 0.298 16 V C -0.120 175.968 176.094 -0.009 0.000 1.028 16 V CA -0.699 61.603 62.300 0.004 0.000 0.860 16 V CB 2.257 34.078 31.823 -0.003 0.000 0.991 16 V HN 0.400 nan 8.190 nan 0.000 0.427 17 V N 4.355 124.260 119.914 -0.016 0.000 2.328 17 V HA 0.780 4.899 4.120 -0.001 0.000 0.278 17 V C 0.495 176.566 176.094 -0.038 0.000 1.021 17 V CA -0.342 61.945 62.300 -0.021 0.000 0.838 17 V CB 1.281 33.096 31.823 -0.014 0.000 0.999 17 V HN 0.989 nan 8.190 nan 0.000 0.447 18 A N 5.066 127.857 122.820 -0.049 0.000 2.281 18 A HA 0.883 5.202 4.320 -0.001 0.000 0.329 18 A C -0.032 177.529 177.584 -0.039 0.000 1.122 18 A CA -0.841 51.154 52.037 -0.071 0.000 0.850 18 A CB 1.063 19.994 19.000 -0.114 0.000 1.207 18 A HN 0.783 nan 8.150 nan 0.000 0.495 19 R N 1.105 121.587 120.500 -0.029 0.000 2.352 19 R HA 0.476 4.815 4.340 -0.001 0.000 0.304 19 R C -1.881 174.509 176.300 0.149 0.000 1.104 19 R CA -0.452 55.678 56.100 0.051 0.000 0.991 19 R CB 0.645 30.936 30.300 -0.016 0.000 1.140 19 R HN 0.590 nan 8.270 nan 0.000 0.540 20 L N 6.454 127.766 121.223 0.148 0.000 2.272 20 L HA 0.571 4.910 4.340 -0.001 0.000 0.289 20 L C -2.420 174.607 176.870 0.262 0.000 1.032 20 L CA -2.311 52.585 54.840 0.093 0.000 0.810 20 L CB 1.354 43.274 42.059 -0.231 0.000 1.205 20 L HN 0.467 nan 8.230 nan 0.000 0.422 21 P HA 0.157 nan 4.420 nan 0.000 0.271 21 P C -0.559 176.864 177.300 0.206 0.000 1.220 21 P CA -0.052 62.973 63.100 -0.126 0.000 0.768 21 P CB 0.482 32.092 31.700 -0.149 0.000 0.848 22 L N 2.040 123.317 121.223 0.089 0.000 2.476 22 L HA 0.241 4.580 4.340 -0.001 0.000 0.255 22 L C 1.347 178.236 176.870 0.033 0.000 1.218 22 L CA -0.444 54.439 54.840 0.072 0.000 0.819 22 L CB -0.011 42.029 42.059 -0.032 0.000 1.119 22 L HN 0.307 nan 8.230 nan 0.000 0.485 35 H N 0.534 119.662 119.070 0.097 0.000 2.771 35 H HA 0.764 5.319 4.556 -0.001 0.000 0.367 35 H C -1.153 174.266 175.328 0.151 0.000 1.172 35 H CA -0.744 55.384 56.048 0.134 0.000 1.186 35 H CB 2.425 32.242 29.762 0.092 0.000 1.790 35 H HN 0.124 nan 8.280 nan 0.000 0.556 36 K N 1.577 122.174 120.400 0.329 0.000 2.443 36 K HA 0.266 4.586 4.320 -0.001 0.000 0.252 36 K C -1.205 175.511 176.600 0.193 0.000 0.933 36 K CA -0.668 55.777 56.287 0.263 0.000 0.792 36 K CB 2.248 34.965 32.500 0.362 0.000 1.185 36 K HN 0.261 nan 8.250 nan 0.000 0.425 37 V N 4.109 124.097 119.914 0.122 0.000 2.479 37 V HA 0.099 4.218 4.120 -0.001 0.000 0.281 37 V C -0.165 175.960 176.094 0.052 0.000 1.031 37 V CA -0.374 61.966 62.300 0.066 0.000 1.038 37 V CB 1.048 32.895 31.823 0.041 0.000 0.981 37 V HN 0.413 nan 8.190 nan 0.000 0.478 38 V N 8.551 128.474 119.914 0.014 0.000 2.313 38 V HA 0.336 4.455 4.120 -0.001 0.000 0.278 38 V C -2.309 173.773 176.094 -0.019 0.000 1.017 38 V CA -1.806 60.488 62.300 -0.011 0.000 0.823 38 V CB 1.520 33.300 31.823 -0.072 0.000 1.010 38 V HN 0.749 nan 8.190 nan 0.000 0.443 39 P HA 0.468 nan 4.420 nan 0.000 0.287 39 P C -0.867 176.427 177.300 -0.010 0.000 1.281 39 P CA -0.175 62.920 63.100 -0.008 0.000 0.781 39 P CB 1.068 32.766 31.700 -0.003 0.000 0.903 40 L N 3.281 124.500 121.223 -0.008 0.000 2.354 40 L HA 0.608 4.947 4.340 -0.001 0.000 0.269 40 L C -0.352 176.523 176.870 0.007 0.000 1.005 40 L CA -1.170 53.668 54.840 -0.003 0.000 0.819 40 L CB 2.092 44.147 42.059 -0.008 0.000 1.311 40 L HN 0.220 nan 8.230 nan 0.000 0.423 41 L N 3.269 124.496 121.223 0.007 0.000 2.362 41 L HA 0.640 4.979 4.340 -0.001 0.000 0.275 41 L C -1.097 175.771 176.870 -0.004 0.000 0.998 41 L CA 0.018 54.865 54.840 0.012 0.000 0.820 41 L CB 1.710 43.777 42.059 0.014 0.000 1.270 41 L HN 0.385 nan 8.230 nan 0.000 0.415 42 I N 5.861 126.419 120.570 -0.019 0.000 2.418 42 I HA 0.403 4.572 4.170 -0.001 0.000 0.287 42 I C -0.874 175.139 176.117 -0.173 0.000 1.008 42 I CA -0.337 60.897 61.300 -0.111 0.000 1.104 42 I CB 1.594 39.518 38.000 -0.126 0.000 1.264 42 I HN 0.421 nan 8.210 nan 0.000 0.438 43 L N 5.983 127.091 121.223 -0.191 0.000 2.307 43 L HA 0.520 4.859 4.340 -0.001 0.000 0.284 43 L C -0.521 176.225 176.870 -0.206 0.000 1.023 43 L CA -0.700 54.075 54.840 -0.109 0.000 0.810 43 L CB 1.050 43.110 42.059 0.001 0.000 1.231 43 L HN 0.514 nan 8.230 nan 0.000 0.423 44 H N 2.077 121.202 119.070 0.091 0.000 2.469 44 H HA 0.733 5.289 4.556 -0.001 0.000 0.342 44 H C -0.128 175.266 175.328 0.111 0.000 1.115 44 H CA -0.506 55.592 56.048 0.083 0.000 1.204 44 H CB 2.320 32.123 29.762 0.069 0.000 1.492 44 H HN 0.779 nan 8.280 nan 0.000 0.499 45 G N 1.004 109.938 108.800 0.223 0.000 2.616 45 G HA2 0.220 4.179 3.960 -0.001 0.000 0.294 45 G HA3 0.220 4.179 3.960 -0.001 0.000 0.294 45 G C -0.817 174.182 174.900 0.164 0.000 1.489 45 G CA -0.848 44.376 45.100 0.206 0.000 0.836 45 G HN 0.437 nan 8.290 nan 0.000 0.527 46 E N -0.846 119.443 120.200 0.148 0.000 2.539 46 E HA -0.269 4.080 4.350 -0.001 0.000 0.253 46 E C 1.494 178.146 176.600 0.086 0.000 1.145 46 E CA 2.016 58.487 56.400 0.118 0.000 0.738 46 E CB -1.605 28.179 29.700 0.140 0.000 1.308 46 E HN 2.547 nan 8.360 nan 0.000 0.409 47 G N -1.824 107.027 108.800 0.085 0.000 2.189 47 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.267 47 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.267 47 G C 0.537 175.479 174.900 0.071 0.000 0.975 47 G CA 1.324 46.465 45.100 0.068 0.000 0.644 47 G HN 1.045 nan 8.290 nan 0.000 0.537 48 V N -3.236 116.726 119.914 0.081 0.000 3.182 48 V HA 0.979 5.098 4.120 -0.001 0.000 0.311 48 V C -0.325 175.823 176.094 0.090 0.000 1.221 48 V CA -0.146 62.192 62.300 0.063 0.000 1.060 48 V CB 1.831 33.662 31.823 0.014 0.000 1.164 48 V HN 1.130 nan 8.190 nan 0.000 0.466 49 Q N 0.410 120.230 119.800 0.033 0.000 2.345 49 Q HA 0.733 5.072 4.340 -0.001 0.000 0.275 49 Q C -0.763 175.199 176.000 -0.064 0.000 1.063 49 Q CA -0.512 55.261 55.803 -0.050 0.000 0.819 49 Q CB 2.131 30.814 28.738 -0.091 0.000 1.356 49 Q HN 1.307 nan 8.270 nan 0.000 0.418 50 G N 1.221 109.972 108.800 -0.082 0.000 2.415 50 G HA2 0.593 4.552 3.960 -0.001 0.000 0.327 50 G HA3 0.593 4.552 3.960 -0.001 0.000 0.327 50 G C -1.076 173.813 174.900 -0.019 0.000 1.182 50 G CA -0.599 44.486 45.100 -0.024 0.000 0.924 50 G HN 0.427 nan 8.290 nan 0.000 0.470 51 V N 0.661 120.604 119.914 0.048 0.000 2.656 51 V HA 0.880 4.999 4.120 -0.001 0.000 0.307 51 V C 0.219 176.416 176.094 0.172 0.000 1.051 51 V CA -0.554 61.784 62.300 0.063 0.000 0.893 51 V CB 1.225 33.074 31.823 0.043 0.000 0.999 51 V HN 1.237 nan 8.190 nan 0.000 0.426 52 A N 3.162 126.030 122.820 0.080 0.000 2.569 52 A HA 0.910 5.229 4.320 -0.001 0.000 0.290 52 A C -1.075 176.500 177.584 -0.015 0.000 1.136 52 A CA -0.645 51.398 52.037 0.010 0.000 0.710 52 A CB 2.054 20.973 19.000 -0.135 0.000 1.303 52 A HN 0.842 nan 8.150 nan 0.000 0.413 53 E N 0.396 120.568 120.200 -0.048 0.000 2.210 53 E HA 0.543 4.892 4.350 -0.001 0.000 0.266 53 E C -0.025 176.550 176.600 -0.042 0.000 0.883 53 E CA -0.653 55.732 56.400 -0.026 0.000 0.761 53 E CB 1.704 31.403 29.700 -0.002 0.000 1.156 53 E HN 0.970 nan 8.360 nan 0.000 0.412 54 G N 1.413 110.199 108.800 -0.024 0.000 2.390 54 G HA2 0.229 4.188 3.960 -0.001 0.000 0.270 54 G HA3 0.229 4.188 3.960 -0.001 0.000 0.270 54 G C 0.602 175.494 174.900 -0.013 0.000 1.211 54 G CA -0.077 45.012 45.100 -0.018 0.000 0.842 54 G HN 0.595 nan 8.290 nan 0.000 0.519 55 T N 0.535 115.080 114.554 -0.016 0.000 3.092 55 T HA 0.179 4.528 4.350 -0.001 0.000 0.258 55 T C 1.161 175.863 174.700 0.003 0.000 1.031 55 T CA -0.425 61.663 62.100 -0.019 0.000 0.925 55 T CB -0.112 68.728 68.868 -0.048 0.000 1.036 55 T HN 0.525 nan 8.240 nan 0.000 0.544 56 M N 1.398 121.007 119.600 0.016 0.000 2.243 56 M HA 0.495 4.974 4.480 -0.001 0.000 0.341 56 M C -0.619 175.692 176.300 0.018 0.000 1.130 56 M CA 0.105 55.420 55.300 0.025 0.000 1.162 56 M CB 0.134 32.744 32.600 0.016 0.000 1.497 56 M HN 0.075 nan 8.290 nan 0.000 0.456 57 E N 1.647 121.859 120.200 0.020 0.000 2.254 57 E HA 0.621 4.970 4.350 -0.001 0.000 0.258 57 E C 0.962 177.567 176.600 0.008 0.000 1.033 57 E CA -0.420 55.991 56.400 0.017 0.000 0.893 57 E CB 1.016 30.729 29.700 0.021 0.000 1.204 57 E HN 0.768 nan 8.360 nan 0.000 0.425 58 A N 1.183 124.009 122.820 0.010 0.000 1.940 58 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 58 A C 0.805 178.387 177.584 -0.003 0.000 1.176 58 A CA 1.379 53.419 52.037 0.003 0.000 0.631 58 A CB -0.151 18.854 19.000 0.007 0.000 0.814 58 A HN 0.414 nan 8.150 nan 0.000 0.446 59 R N -0.843 119.654 120.500 -0.004 0.000 2.803 59 R HA 0.402 4.741 4.340 -0.001 0.000 0.276 59 R C -2.907 173.379 176.300 -0.024 0.000 0.978 59 R CA -2.229 53.863 56.100 -0.014 0.000 0.939 59 R CB 1.363 31.657 30.300 -0.011 0.000 1.179 59 R HN 0.036 nan 8.270 nan 0.000 0.472 60 P HA 0.123 nan 4.420 nan 0.000 0.256 60 P C -0.457 176.774 177.300 -0.115 0.000 1.689 60 P CA 0.206 63.258 63.100 -0.080 0.000 1.124 60 P CB 0.507 32.150 31.700 -0.095 0.000 1.766 61 M N 1.305 120.856 119.600 -0.081 0.000 2.906 61 M HA 0.039 4.519 4.480 -0.001 0.000 0.252 61 M C 1.906 178.144 176.300 -0.105 0.000 1.359 61 M CA 0.652 55.903 55.300 -0.083 0.000 1.239 61 M CB -0.415 32.174 32.600 -0.019 0.000 1.229 61 M HN 0.069 nan 8.290 nan 0.000 0.547 62 Y N 1.359 121.569 120.300 -0.151 0.000 2.200 62 Y HA 0.080 4.629 4.550 -0.002 0.000 0.290 62 Y C 1.429 177.162 175.900 -0.278 0.000 1.137 62 Y CA 1.409 59.416 58.100 -0.156 0.000 1.163 62 Y CB 0.285 38.693 38.460 -0.087 0.000 0.988 62 Y HN 0.000 nan 8.280 nan 0.000 0.518 63 R N -1.013 119.233 120.500 -0.423 0.000 3.278 63 R HA 0.111 4.450 4.340 -0.001 0.000 0.256 63 R C 1.156 177.213 176.300 -0.405 0.000 1.230 63 R CA 0.131 55.847 56.100 -0.639 0.000 1.006 63 R CB 0.511 30.518 30.300 -0.488 0.000 1.440 63 R HN 0.123 nan 8.270 nan 0.000 0.449 64 E N 0.853 120.873 120.200 -0.300 0.000 2.385 64 E HA 0.034 4.383 4.350 -0.001 0.000 0.194 64 E C -0.597 175.961 176.600 -0.070 0.000 1.013 64 E CA 0.802 57.105 56.400 -0.162 0.000 0.866 64 E CB 0.396 30.068 29.700 -0.046 0.000 0.832 64 E HN 0.416 nan 8.360 nan 0.000 0.500 65 E N 1.056 121.229 120.200 -0.045 0.000 2.283 65 E HA 0.339 4.688 4.350 -0.001 0.000 0.267 65 E C -0.307 176.282 176.600 -0.017 0.000 1.045 65 E CA -0.282 56.109 56.400 -0.015 0.000 0.884 65 E CB 1.442 31.146 29.700 0.007 0.000 1.106 65 E HN 0.235 nan 8.360 nan 0.000 0.408 66 T N -2.204 112.340 114.554 -0.016 0.000 2.901 66 T HA 0.387 4.736 4.350 -0.001 0.000 0.293 66 T C 1.002 175.694 174.700 -0.014 0.000 1.084 66 T CA -0.751 61.340 62.100 -0.014 0.000 1.008 66 T CB 0.717 69.574 68.868 -0.018 0.000 1.170 66 T HN 0.388 nan 8.240 nan 0.000 0.509 67 I N 1.151 121.715 120.570 -0.010 0.000 2.163 67 I HA -0.144 4.025 4.170 -0.001 0.000 0.243 67 I C 3.034 179.138 176.117 -0.021 0.000 1.085 67 I CA 1.910 63.203 61.300 -0.011 0.000 1.347 67 I CB -0.706 37.291 38.000 -0.005 0.000 1.044 67 I HN 0.912 nan 8.210 nan 0.000 0.408 68 A N 0.857 123.664 122.820 -0.022 0.000 1.883 68 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 68 A C 2.443 180.001 177.584 -0.043 0.000 1.186 68 A CA 2.110 54.130 52.037 -0.028 0.000 0.624 68 A CB -1.565 17.421 19.000 -0.024 0.000 0.822 68 A HN 0.481 nan 8.150 nan 0.000 0.444 69 G N -0.714 108.060 108.800 -0.044 0.000 2.440 69 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.218 69 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.218 69 G C 1.747 176.595 174.900 -0.087 0.000 1.154 69 G CA 1.618 46.681 45.100 -0.061 0.000 0.767 69 G HN 0.839 nan 8.290 nan 0.000 0.552 70 A N 0.480 123.261 122.820 -0.066 0.000 1.873 70 A HA 0.171 4.490 4.320 -0.001 0.000 0.215 70 A C 2.435 179.961 177.584 -0.097 0.000 1.186 70 A CA 1.166 53.160 52.037 -0.073 0.000 0.616 70 A CB -0.365 18.619 19.000 -0.027 0.000 0.823 70 A HN 0.335 nan 8.150 nan 0.000 0.442 71 L N -0.600 120.581 121.223 -0.070 0.000 2.093 71 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 71 L C 2.349 179.158 176.870 -0.102 0.000 1.085 71 L CA 1.784 56.584 54.840 -0.067 0.000 0.755 71 L CB -0.717 41.323 42.059 -0.033 0.000 0.904 71 L HN 0.495 nan 8.230 nan 0.000 0.435 72 D N 0.439 120.775 120.400 -0.107 0.000 2.144 72 D HA -0.228 4.411 4.640 -0.001 0.000 0.199 72 D C 2.112 178.284 176.300 -0.213 0.000 0.984 72 D CA 0.882 54.806 54.000 -0.127 0.000 0.834 72 D CB 0.130 40.868 40.800 -0.103 0.000 0.955 72 D HN 0.081 nan 8.370 nan 0.000 0.465 73 L N 0.159 121.212 121.223 -0.284 0.000 2.056 73 L HA -0.007 4.332 4.340 -0.001 0.000 0.207 73 L C 2.086 178.592 176.870 -0.606 0.000 1.078 73 L CA 1.408 55.939 54.840 -0.515 0.000 0.749 73 L CB -0.551 41.148 42.059 -0.600 0.000 0.901 73 L HN 0.215 nan 8.230 nan 0.000 0.433 74 L N -0.414 120.587 121.223 -0.370 0.000 2.017 74 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 74 L C 2.779 179.518 176.870 -0.218 0.000 1.073 74 L CA 1.926 56.643 54.840 -0.205 0.000 0.745 74 L CB -0.604 41.406 42.059 -0.083 0.000 0.894 74 L HN 0.391 nan 8.230 nan 0.000 0.432 75 R N -0.074 120.285 120.500 -0.235 0.000 2.153 75 R HA -0.004 4.335 4.340 -0.001 0.000 0.218 75 R C 1.952 178.123 176.300 -0.214 0.000 1.072 75 R CA 1.178 57.096 56.100 -0.304 0.000 0.990 75 R CB -0.500 29.681 30.300 -0.199 0.000 0.889 75 R HN 0.225 nan 8.270 nan 0.000 0.452 76 G N -0.724 107.959 108.800 -0.194 0.000 2.662 76 G HA2 0.025 3.984 3.960 -0.001 0.000 0.212 76 G HA3 0.025 3.984 3.960 -0.001 0.000 0.212 76 G C 0.717 175.517 174.900 -0.167 0.000 1.141 76 G CA 0.676 45.683 45.100 -0.155 0.000 0.797 76 G HN 0.354 nan 8.290 nan 0.000 0.531 77 T N -0.419 113.991 114.554 -0.240 0.000 3.388 77 T HA 0.181 4.530 4.350 -0.001 0.000 0.254 77 T C 1.668 176.369 174.700 0.002 0.000 1.002 77 T CA -0.211 61.755 62.100 -0.223 0.000 1.164 77 T CB -0.069 68.460 68.868 -0.564 0.000 1.184 77 T HN -0.027 nan 8.240 nan 0.000 0.399 78 F N 2.134 121.997 119.950 -0.145 0.000 2.146 78 F HA 0.247 4.773 4.527 -0.002 0.000 0.298 78 F C 2.178 177.943 175.800 -0.059 0.000 1.096 78 F CA 0.253 58.202 58.000 -0.085 0.000 1.275 78 F CB -1.239 37.709 39.000 -0.088 0.000 1.008 78 F HN 0.076 nan 8.300 nan 0.000 0.480 79 L N -0.275 121.003 121.223 0.091 0.000 2.027 79 L HA -0.133 4.206 4.340 -0.001 0.000 0.206 79 L C -0.294 176.600 176.870 0.041 0.000 1.074 79 L CA 1.301 56.155 54.840 0.023 0.000 0.745 79 L CB -2.059 39.934 42.059 -0.111 0.000 0.898 79 L HN 0.041 nan 8.230 nan 0.000 0.433 80 P HA -0.153 nan 4.420 nan 0.000 0.219 80 P C 1.263 178.610 177.300 0.078 0.000 1.146 80 P CA 1.518 64.645 63.100 0.045 0.000 0.808 80 P CB 0.012 31.727 31.700 0.024 0.000 0.779 81 A N -0.571 122.313 122.820 0.108 0.000 2.067 81 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 81 A C 1.990 179.668 177.584 0.157 0.000 1.156 81 A CA 1.194 53.311 52.037 0.133 0.000 0.683 81 A CB -1.157 17.949 19.000 0.175 0.000 0.808 81 A HN 0.353 nan 8.150 nan 0.000 0.455 82 I N -4.231 116.439 120.570 0.166 0.000 4.032 82 I HA 0.321 4.490 4.170 -0.001 0.000 0.313 82 I C 0.098 176.356 176.117 0.235 0.000 1.272 82 I CA -0.288 61.175 61.300 0.271 0.000 1.307 82 I CB -0.144 37.950 38.000 0.157 0.000 1.155 82 I HN -0.068 nan 8.210 nan 0.000 0.431 83 L N 3.633 124.945 121.223 0.149 0.000 2.540 83 L HA 0.202 4.541 4.340 -0.001 0.000 0.276 83 L C 1.425 178.348 176.870 0.089 0.000 1.212 83 L CA 1.373 56.289 54.840 0.127 0.000 0.893 83 L CB 0.228 42.353 42.059 0.109 0.000 1.138 83 L HN 0.650 nan 8.230 nan 0.000 0.491 84 G N 1.413 110.258 108.800 0.074 0.000 2.253 84 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.251 84 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.251 84 G C 0.335 175.201 174.900 -0.055 0.000 0.998 84 G CA -0.407 44.704 45.100 0.018 0.000 0.621 84 G HN 0.506 nan 8.290 nan 0.000 0.524 85 Q N 0.705 120.448 119.800 -0.094 0.000 2.260 85 Q HA 0.628 4.967 4.340 -0.001 0.000 0.238 85 Q C -0.141 175.492 176.000 -0.612 0.000 0.948 85 Q CA 0.202 55.776 55.803 -0.382 0.000 0.895 85 Q CB 1.270 29.707 28.738 -0.502 0.000 1.218 85 Q HN 0.231 nan 8.270 nan 0.000 0.470 86 T N 1.802 115.869 114.554 -0.813 0.000 2.823 86 T HA 0.687 5.036 4.350 -0.001 0.000 0.279 86 T C -0.846 173.242 174.700 -1.020 0.000 0.998 86 T CA -0.277 61.421 62.100 -0.670 0.000 0.994 86 T CB 0.323 68.984 68.868 -0.346 0.000 0.960 86 T HN 0.256 nan 8.240 nan 0.000 0.448 87 F N 0.356 119.923 119.950 -0.639 0.000 2.565 87 F HA 0.585 5.112 4.527 -0.001 0.000 0.313 87 F C 0.881 176.224 175.800 -0.762 0.000 1.091 87 F CA -1.173 56.348 58.000 -0.799 0.000 0.915 87 F CB 1.734 40.016 39.000 -1.198 0.000 1.208 87 F HN 0.644 nan 8.300 nan 0.000 0.453 88 A N 1.850 124.493 122.820 -0.294 0.000 2.030 88 A HA 0.223 4.543 4.320 -0.001 0.000 0.215 88 A C 0.086 177.379 177.584 -0.484 0.000 1.164 88 A CA 0.964 52.846 52.037 -0.259 0.000 0.697 88 A CB -0.478 18.427 19.000 -0.160 0.000 0.827 88 A HN 0.811 nan 8.150 nan 0.000 0.457 89 N N -3.909 114.497 118.700 -0.491 0.000 3.116 89 N HA 0.307 5.046 4.740 -0.001 0.000 0.244 89 N C -3.125 172.040 175.510 -0.575 0.000 1.485 89 N CA -1.469 51.077 53.050 -0.840 0.000 0.884 89 N CB 0.263 38.301 38.487 -0.750 0.000 1.415 89 N HN -0.286 nan 8.380 nan 0.000 0.524 90 P HA -0.057 nan 4.420 nan 0.000 0.218 90 P C 0.501 177.525 177.300 -0.459 0.000 1.149 90 P CA 1.394 64.071 63.100 -0.704 0.000 0.817 90 P CB 0.265 31.096 31.700 -1.447 0.000 0.785 91 E N -0.167 119.815 120.200 -0.364 0.000 2.110 91 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 91 E C 2.137 178.639 176.600 -0.165 0.000 0.988 91 E CA 1.488 57.789 56.400 -0.165 0.000 0.804 91 E CB -1.043 28.612 29.700 -0.075 0.000 0.745 91 E HN 0.172 nan 8.360 nan 0.000 0.458 92 A N 0.362 123.064 122.820 -0.197 0.000 1.930 92 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 92 A C 2.420 179.892 177.584 -0.186 0.000 1.175 92 A CA 1.167 53.137 52.037 -0.112 0.000 0.627 92 A CB -0.567 18.413 19.000 -0.033 0.000 0.815 92 A HN 0.148 nan 8.150 nan 0.000 0.443 93 V N -0.028 119.590 119.914 -0.494 0.000 2.295 93 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 93 V C 2.783 178.642 176.094 -0.391 0.000 1.049 93 V CA 2.375 64.209 62.300 -0.777 0.000 1.024 93 V CB -0.960 30.390 31.823 -0.789 0.000 0.648 93 V HN 0.557 nan 8.190 nan 0.000 0.447 94 S N -0.072 115.462 115.700 -0.277 0.000 2.370 94 S HA -0.286 4.183 4.470 -0.001 0.000 0.226 94 S C 1.820 176.330 174.600 -0.151 0.000 1.033 94 S CA 1.949 60.029 58.200 -0.200 0.000 1.011 94 S CB -0.488 62.640 63.200 -0.120 0.000 0.852 94 S HN 0.807 nan 8.310 nan 0.000 0.457 95 D N 1.313 121.647 120.400 -0.109 0.000 2.219 95 D HA 0.011 4.650 4.640 -0.001 0.000 0.205 95 D C 1.748 178.028 176.300 -0.033 0.000 0.970 95 D CA 0.975 54.940 54.000 -0.058 0.000 0.851 95 D CB -0.226 40.551 40.800 -0.039 0.000 0.943 95 D HN 0.349 nan 8.370 nan 0.000 0.488 96 A N -0.369 122.440 122.820 -0.019 0.000 2.209 96 A HA 0.067 4.386 4.320 -0.001 0.000 0.212 96 A C 1.844 179.449 177.584 0.035 0.000 1.158 96 A CA 0.477 52.542 52.037 0.048 0.000 0.742 96 A CB -0.367 18.735 19.000 0.170 0.000 0.790 96 A HN 0.326 nan 8.150 nan 0.000 0.472 97 L N -2.048 119.151 121.223 -0.041 0.000 2.157 97 L HA 0.318 4.657 4.340 -0.001 0.000 0.201 97 L C 2.400 179.315 176.870 0.074 0.000 1.221 97 L CA 0.808 55.647 54.840 -0.002 0.000 0.915 97 L CB -1.190 40.656 42.059 -0.356 0.000 1.013 97 L HN 0.451 nan 8.230 nan 0.000 0.522 98 G N -0.596 108.211 108.800 0.011 0.000 3.444 98 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.222 98 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.222 98 G C 1.266 176.126 174.900 -0.066 0.000 1.358 98 G CA 0.703 45.788 45.100 -0.025 0.000 0.880 98 G HN 0.326 nan 8.290 nan 0.000 0.555 99 S N 0.527 116.102 115.700 -0.209 0.000 2.353 99 S HA 0.032 4.501 4.470 -0.001 0.000 0.222 99 S C 1.236 175.687 174.600 -0.249 0.000 1.035 99 S CA 1.487 59.467 58.200 -0.366 0.000 1.025 99 S CB -0.350 62.397 63.200 -0.754 0.000 0.902 99 S HN 0.581 nan 8.310 nan 0.000 0.440 100 Y N 1.939 122.296 120.300 0.095 0.000 2.457 100 Y HA 0.219 4.768 4.550 -0.002 0.000 0.341 100 Y C 1.172 177.130 175.900 0.096 0.000 1.240 100 Y CA -0.158 58.011 58.100 0.116 0.000 1.437 100 Y CB 0.349 38.935 38.460 0.211 0.000 1.328 100 Y HN -0.003 nan 8.280 nan 0.000 0.588 101 R N 1.373 122.008 120.500 0.225 0.000 2.474 101 R HA 0.467 4.807 4.340 -0.001 0.000 0.295 101 R C 0.707 177.090 176.300 0.138 0.000 0.980 101 R CA -0.047 56.135 56.100 0.136 0.000 0.934 101 R CB 1.342 31.697 30.300 0.092 0.000 1.101 101 R HN 0.974 nan 8.270 nan 0.000 0.469 102 G N 2.498 111.363 108.800 0.109 0.000 2.582 102 G HA2 -0.420 3.539 3.960 -0.001 0.000 0.288 102 G HA3 -0.420 3.539 3.960 -0.001 0.000 0.288 102 G C -0.140 174.835 174.900 0.125 0.000 1.247 102 G CA 0.301 45.461 45.100 0.101 0.000 0.972 102 G HN 0.882 nan 8.290 nan 0.000 0.557 103 N N -0.520 118.244 118.700 0.107 0.000 2.725 103 N HA -0.190 4.550 4.740 -0.001 0.000 0.251 103 N C 1.459 177.050 175.510 0.136 0.000 1.031 103 N CA 1.287 54.406 53.050 0.115 0.000 0.720 103 N CB -0.404 38.160 38.487 0.128 0.000 0.930 103 N HN 0.701 nan 8.380 nan 0.000 0.543 104 R N 0.251 120.809 120.500 0.096 0.000 2.093 104 R HA 0.126 4.465 4.340 -0.001 0.000 0.224 104 R C 2.410 178.746 176.300 0.061 0.000 1.101 104 R CA 1.247 57.392 56.100 0.075 0.000 0.979 104 R CB -0.004 30.330 30.300 0.057 0.000 0.877 104 R HN 0.339 nan 8.270 nan 0.000 0.441 105 M N -0.028 119.607 119.600 0.058 0.000 2.108 105 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 105 M C 2.492 178.822 176.300 0.049 0.000 1.066 105 M CA 1.786 57.110 55.300 0.039 0.000 1.107 105 M CB -0.331 32.294 32.600 0.041 0.000 1.356 105 M HN 0.237 nan 8.290 nan 0.000 0.406 106 A N 0.581 123.453 122.820 0.088 0.000 1.883 106 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 106 A C 2.187 179.902 177.584 0.219 0.000 1.186 106 A CA 1.478 53.599 52.037 0.140 0.000 0.624 106 A CB -0.595 18.490 19.000 0.141 0.000 0.822 106 A HN 0.369 nan 8.150 nan 0.000 0.444 107 R N -0.408 120.218 120.500 0.211 0.000 2.091 107 R HA -0.143 4.196 4.340 -0.001 0.000 0.238 107 R C 2.404 178.684 176.300 -0.033 0.000 1.136 107 R CA 1.473 57.578 56.100 0.009 0.000 0.959 107 R CB -1.102 29.168 30.300 -0.050 0.000 0.856 107 R HN 0.544 nan 8.270 nan 0.000 0.437 108 A N 1.044 123.858 122.820 -0.010 0.000 1.972 108 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 108 A C 2.300 179.847 177.584 -0.061 0.000 1.169 108 A CA 1.296 53.304 52.037 -0.049 0.000 0.635 108 A CB -0.408 18.550 19.000 -0.070 0.000 0.810 108 A HN 0.200 nan 8.150 nan 0.000 0.446 109 M N -0.736 118.847 119.600 -0.029 0.000 2.080 109 M HA -0.162 4.318 4.480 -0.001 0.000 0.260 109 M C 2.096 178.385 176.300 -0.018 0.000 1.068 109 M CA 1.664 56.946 55.300 -0.029 0.000 1.109 109 M CB -0.493 32.111 32.600 0.007 0.000 1.342 109 M HN 0.281 nan 8.290 nan 0.000 0.405 110 V N -0.147 119.761 119.914 -0.009 0.000 2.270 110 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 110 V C 2.395 178.458 176.094 -0.051 0.000 1.043 110 V CA 1.842 64.120 62.300 -0.037 0.000 1.014 110 V CB -0.843 30.929 31.823 -0.085 0.000 0.645 110 V HN 0.481 nan 8.190 nan 0.000 0.447 111 E N 0.061 120.229 120.200 -0.054 0.000 2.077 111 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 111 E C 2.161 178.850 176.600 0.149 0.000 0.989 111 E CA 1.751 58.151 56.400 0.001 0.000 0.800 111 E CB -0.101 29.614 29.700 0.025 0.000 0.746 111 E HN 0.590 nan 8.360 nan 0.000 0.452 112 M N -0.369 119.293 119.600 0.103 0.000 2.236 112 M HA -0.010 4.469 4.480 -0.001 0.000 0.266 112 M C 2.428 178.868 176.300 0.233 0.000 1.070 112 M CA 1.119 56.526 55.300 0.178 0.000 1.137 112 M CB -0.112 32.331 32.600 -0.262 0.000 1.378 112 M HN 0.062 nan 8.290 nan 0.000 0.426 113 A N 0.821 123.698 122.820 0.096 0.000 1.933 113 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 113 A C 2.401 180.045 177.584 0.099 0.000 1.175 113 A CA 1.959 54.060 52.037 0.106 0.000 0.628 113 A CB -0.937 18.085 19.000 0.035 0.000 0.814 113 A HN 0.476 nan 8.150 nan 0.000 0.444 114 A N -1.369 121.487 122.820 0.059 0.000 1.883 114 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 114 A C 2.000 179.577 177.584 -0.011 0.000 1.186 114 A CA 1.463 53.492 52.037 -0.015 0.000 0.624 114 A CB -0.988 17.952 19.000 -0.101 0.000 0.822 114 A HN 0.751 nan 8.150 nan 0.000 0.444 115 W N -0.126 121.238 121.300 0.107 0.000 2.338 115 W HA -0.169 4.490 4.660 -0.001 0.000 0.304 115 W C 2.092 178.658 176.519 0.079 0.000 1.212 115 W CA 1.384 58.823 57.345 0.156 0.000 1.264 115 W CB -0.142 29.437 29.460 0.199 0.000 1.142 115 W HN 0.467 nan 8.180 nan 0.000 0.512 116 D N -0.064 120.525 120.400 0.314 0.000 2.097 116 D HA -0.186 4.454 4.640 -0.001 0.000 0.195 116 D C 2.029 178.339 176.300 0.015 0.000 0.989 116 D CA 1.255 55.325 54.000 0.117 0.000 0.827 116 D CB -0.440 40.437 40.800 0.129 0.000 0.966 116 D HN 0.023 nan 8.370 nan 0.000 0.456 117 L N 0.452 121.670 121.223 -0.008 0.000 2.017 117 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 117 L C 2.224 178.990 176.870 -0.173 0.000 1.073 117 L CA 1.763 56.545 54.840 -0.097 0.000 0.745 117 L CB -0.904 41.083 42.059 -0.120 0.000 0.894 117 L HN 0.370 nan 8.230 nan 0.000 0.432 118 W N 0.266 121.264 121.300 -0.503 0.000 2.354 118 W HA -0.271 4.388 4.660 -0.002 0.000 0.315 118 W C 2.144 178.516 176.519 -0.245 0.000 1.206 118 W CA 1.534 58.527 57.345 -0.586 0.000 1.290 118 W CB -0.218 28.869 29.460 -0.622 0.000 1.152 118 W HN 0.332 nan 8.180 nan 0.000 0.489 119 A N 1.392 124.070 122.820 -0.238 0.000 1.908 119 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 119 A C 1.973 179.388 177.584 -0.281 0.000 1.181 119 A CA 2.069 53.917 52.037 -0.316 0.000 0.627 119 A CB -0.931 17.997 19.000 -0.120 0.000 0.818 119 A HN 0.451 nan 8.150 nan 0.000 0.445 120 R N -0.644 119.742 120.500 -0.189 0.000 2.148 120 R HA -0.053 4.286 4.340 -0.001 0.000 0.223 120 R C 2.325 178.539 176.300 -0.143 0.000 1.088 120 R CA 1.497 57.510 56.100 -0.144 0.000 0.985 120 R CB -0.530 29.714 30.300 -0.093 0.000 0.880 120 R HN 0.771 nan 8.270 nan 0.000 0.451 121 T N -0.978 113.473 114.554 -0.171 0.000 2.915 121 T HA -0.041 4.308 4.350 -0.001 0.000 0.269 121 T C 1.758 176.350 174.700 -0.180 0.000 1.071 121 T CA 0.884 62.911 62.100 -0.122 0.000 1.132 121 T CB -0.078 68.763 68.868 -0.044 0.000 0.878 121 T HN 0.146 nan 8.240 nan 0.000 0.479 122 L N 0.337 121.367 121.223 -0.321 0.000 2.446 122 L HA 0.345 4.684 4.340 -0.001 0.000 0.219 122 L C 2.094 178.846 176.870 -0.197 0.000 1.116 122 L CA 0.496 55.147 54.840 -0.315 0.000 0.844 122 L CB -0.645 41.103 42.059 -0.518 0.000 0.970 122 L HN 0.591 nan 8.230 nan 0.000 0.457 123 G N 0.961 109.659 108.800 -0.169 0.000 2.160 123 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.244 123 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.244 123 G C -0.073 174.758 174.900 -0.116 0.000 1.022 123 G CA 0.150 45.179 45.100 -0.117 0.000 0.741 123 G HN 0.138 nan 8.290 nan 0.000 0.508 124 V N 0.625 120.447 119.914 -0.152 0.000 2.555 124 V HA 0.557 4.677 4.120 -0.001 0.000 0.302 124 V C -1.870 174.151 176.094 -0.121 0.000 1.038 124 V CA -1.981 60.244 62.300 -0.125 0.000 0.887 124 V CB 2.205 33.941 31.823 -0.145 0.000 0.991 124 V HN 0.077 nan 8.190 nan 0.000 0.434 125 P HA 0.042 nan 4.420 nan 0.000 0.267 125 P C 0.606 177.825 177.300 -0.135 0.000 1.200 125 P CA -0.145 62.906 63.100 -0.081 0.000 0.772 125 P CB 0.645 32.373 31.700 0.047 0.000 0.855 126 L N 4.077 125.102 121.223 -0.330 0.000 2.017 126 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 126 L C 2.229 178.973 176.870 -0.210 0.000 1.073 126 L CA 2.594 57.235 54.840 -0.332 0.000 0.745 126 L CB -1.771 39.938 42.059 -0.583 0.000 0.894 126 L HN 0.521 nan 8.230 nan 0.000 0.432 127 G N -1.976 106.846 108.800 0.037 0.000 2.442 127 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 127 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 127 G C 1.437 176.309 174.900 -0.046 0.000 1.141 127 G CA 1.210 46.306 45.100 -0.007 0.000 0.763 127 G HN 0.448 nan 8.290 nan 0.000 0.554 128 T N 1.187 115.739 114.554 -0.003 0.000 2.746 128 T HA -0.029 4.320 4.350 -0.001 0.000 0.267 128 T C 2.360 177.060 174.700 0.000 0.000 1.039 128 T CA 0.781 62.885 62.100 0.006 0.000 1.142 128 T CB -0.190 68.683 68.868 0.008 0.000 0.866 128 T HN 0.142 nan 8.240 nan 0.000 0.444 129 L N 0.373 121.585 121.223 -0.017 0.000 2.201 129 L HA 0.054 4.394 4.340 -0.001 0.000 0.212 129 L C 2.068 178.951 176.870 0.023 0.000 1.105 129 L CA 0.872 55.741 54.840 0.049 0.000 0.775 129 L CB -0.312 41.832 42.059 0.142 0.000 0.913 129 L HN 0.283 nan 8.230 nan 0.000 0.440 130 L N -1.052 120.090 121.223 -0.135 0.000 2.558 130 L HA 0.119 4.458 4.340 -0.001 0.000 0.225 130 L C 1.453 178.283 176.870 -0.066 0.000 1.128 130 L CA 0.699 55.419 54.840 -0.201 0.000 0.868 130 L CB -0.195 41.641 42.059 -0.371 0.000 1.006 130 L HN 0.475 nan 8.230 nan 0.000 0.454 131 G N -0.389 108.403 108.800 -0.012 0.000 2.184 131 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.206 131 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.206 131 G C 0.522 175.452 174.900 0.050 0.000 0.995 131 G CA -0.322 44.807 45.100 0.048 0.000 0.651 131 G HN 0.470 nan 8.290 nan 0.000 0.511 132 G N -0.330 108.455 108.800 -0.025 0.000 2.503 132 G HA2 0.602 4.561 3.960 -0.001 0.000 0.257 132 G HA3 0.602 4.561 3.960 -0.001 0.000 0.257 132 G C 0.116 175.010 174.900 -0.011 0.000 1.214 132 G CA 0.270 45.318 45.100 -0.087 0.000 0.839 132 G HN 1.371 nan 8.290 nan 0.000 0.559 133 H N -1.795 117.268 119.070 -0.012 0.000 2.904 133 H HA 0.380 4.935 4.556 -0.001 0.000 0.242 133 H C 0.124 175.442 175.328 -0.017 0.000 1.193 133 H CA -0.665 55.376 56.048 -0.012 0.000 0.946 133 H CB -0.100 29.662 29.762 0.001 0.000 2.135 133 H HN 0.283 nan 8.280 nan 0.000 0.652 134 K N 0.997 121.328 120.400 -0.115 0.000 2.174 134 K HA 0.152 4.472 4.320 -0.001 0.000 0.275 134 K C 0.173 176.737 176.600 -0.062 0.000 1.015 134 K CA -0.257 55.984 56.287 -0.077 0.000 0.933 134 K CB 1.529 33.965 32.500 -0.108 0.000 1.025 134 K HN 0.423 nan 8.250 nan 0.000 0.463 135 E N 1.302 121.479 120.200 -0.039 0.000 2.400 135 E HA -0.069 4.280 4.350 -0.001 0.000 0.195 135 E C 0.064 176.622 176.600 -0.069 0.000 1.012 135 E CA 0.394 56.764 56.400 -0.051 0.000 0.875 135 E CB 0.540 30.225 29.700 -0.025 0.000 0.859 135 E HN 0.492 nan 8.360 nan 0.000 0.498 136 Q N -0.102 119.661 119.800 -0.062 0.000 2.511 136 Q HA 0.504 4.844 4.340 -0.001 0.000 0.289 136 Q C -0.900 175.065 176.000 -0.058 0.000 1.021 136 Q CA -0.989 54.775 55.803 -0.065 0.000 0.785 136 Q CB 2.089 30.799 28.738 -0.046 0.000 1.472 136 Q HN -0.033 nan 8.270 nan 0.000 0.411 137 V N -2.305 117.576 119.914 -0.054 0.000 2.656 137 V HA 0.554 4.673 4.120 -0.001 0.000 0.307 137 V C -0.537 175.556 176.094 -0.002 0.000 1.051 137 V CA -0.846 61.433 62.300 -0.035 0.000 0.893 137 V CB 1.823 33.604 31.823 -0.070 0.000 0.999 137 V HN 0.845 nan 8.190 nan 0.000 0.426 138 E N 2.676 122.892 120.200 0.026 0.000 2.360 138 E HA 0.474 4.823 4.350 -0.001 0.000 0.269 138 E C -0.249 176.392 176.600 0.069 0.000 1.022 138 E CA -0.305 56.119 56.400 0.040 0.000 0.887 138 E CB 1.955 31.684 29.700 0.048 0.000 0.990 138 E HN 0.948 nan 8.360 nan 0.000 0.426 139 V N -0.423 119.539 119.914 0.081 0.000 2.715 139 V HA 0.872 4.991 4.120 -0.001 0.000 0.310 139 V C 0.197 176.412 176.094 0.202 0.000 1.054 139 V CA -0.648 61.736 62.300 0.141 0.000 0.928 139 V CB 1.736 33.657 31.823 0.163 0.000 1.007 139 V HN 0.671 nan 8.190 nan 0.000 0.437 140 G N 0.778 109.659 108.800 0.134 0.000 2.667 140 G HA2 0.709 4.668 3.960 -0.001 0.000 0.310 140 G HA3 0.709 4.668 3.960 -0.001 0.000 0.310 140 G C -1.156 173.612 174.900 -0.220 0.000 1.259 140 G CA -0.651 44.459 45.100 0.016 0.000 1.019 140 G HN 1.364 nan 8.290 nan 0.000 0.496 141 V N -0.841 118.766 119.914 -0.511 0.000 2.914 141 V HA 0.772 4.892 4.120 -0.001 0.000 0.314 141 V C -0.622 175.231 176.094 -0.403 0.000 1.084 141 V CA -0.628 61.210 62.300 -0.770 0.000 0.963 141 V CB 2.371 33.258 31.823 -1.561 0.000 1.025 141 V HN 0.745 nan 8.190 nan 0.000 0.432 142 S N 6.258 121.783 115.700 -0.292 0.000 2.498 142 S HA 0.733 5.202 4.470 -0.001 0.000 0.317 142 S C -1.066 173.476 174.600 -0.097 0.000 1.090 142 S CA -0.421 57.701 58.200 -0.130 0.000 1.089 142 S CB 1.200 64.381 63.200 -0.031 0.000 0.997 142 S HN 0.513 nan 8.310 nan 0.000 0.470 143 L N 2.717 123.916 121.223 -0.041 0.000 2.317 143 L HA 0.652 4.991 4.340 -0.001 0.000 0.281 143 L C 1.070 177.966 176.870 0.043 0.000 1.024 143 L CA -0.162 54.688 54.840 0.017 0.000 0.810 143 L CB 0.763 42.852 42.059 0.049 0.000 1.240 143 L HN 0.744 nan 8.230 nan 0.000 0.427 144 G N 2.121 110.950 108.800 0.048 0.000 2.653 144 G HA2 0.452 4.411 3.960 -0.001 0.000 0.265 144 G HA3 0.452 4.411 3.960 -0.001 0.000 0.265 144 G C -0.018 174.939 174.900 0.094 0.000 1.237 144 G CA -0.689 44.449 45.100 0.062 0.000 0.946 144 G HN 0.509 nan 8.290 nan 0.000 0.522 145 I N 1.004 121.635 120.570 0.102 0.000 2.618 145 I HA 0.050 4.219 4.170 -0.001 0.000 0.284 145 I C 0.539 176.687 176.117 0.052 0.000 1.146 145 I CA 0.148 61.528 61.300 0.135 0.000 1.425 145 I CB 0.808 38.857 38.000 0.082 0.000 1.383 145 I HN 0.280 nan 8.210 nan 0.000 0.562 146 Q N 4.563 124.419 119.800 0.094 0.000 2.194 146 Q HA 0.459 4.798 4.340 -0.001 0.000 0.245 146 Q C 0.892 176.810 176.000 -0.137 0.000 0.993 146 Q CA -0.523 55.289 55.803 0.016 0.000 0.930 146 Q CB 1.132 29.923 28.738 0.088 0.000 1.238 146 Q HN 0.737 nan 8.270 nan 0.000 0.486 147 A N 0.372 123.114 122.820 -0.130 0.000 1.969 147 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 147 A C 0.142 177.548 177.584 -0.297 0.000 1.169 147 A CA 2.135 54.039 52.037 -0.222 0.000 0.635 147 A CB -0.188 18.737 19.000 -0.124 0.000 0.810 147 A HN 0.796 nan 8.150 nan 0.000 0.445 148 D N -4.329 116.021 120.400 -0.084 0.000 2.768 148 D HA 0.253 4.892 4.640 -0.001 0.000 0.327 148 D C 0.264 176.802 176.300 0.397 0.000 1.302 148 D CA -0.349 53.713 54.000 0.104 0.000 0.897 148 D CB -0.144 40.693 40.800 0.062 0.000 1.420 148 D HN -0.032 nan 8.370 nan 0.000 0.494 149 E N -0.531 119.912 120.200 0.406 0.000 2.031 149 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 149 E C 1.692 178.371 176.600 0.133 0.000 0.994 149 E CA 1.370 57.910 56.400 0.234 0.000 0.800 149 E CB -0.076 29.697 29.700 0.121 0.000 0.752 149 E HN 0.435 nan 8.360 nan 0.000 0.447 150 Q N 0.086 119.947 119.800 0.101 0.000 2.124 150 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 150 Q C 2.128 178.166 176.000 0.063 0.000 0.977 150 Q CA 1.298 57.138 55.803 0.062 0.000 0.850 150 Q CB -0.103 28.660 28.738 0.042 0.000 0.901 150 Q HN 0.224 nan 8.270 nan 0.000 0.429 151 A N 0.169 123.033 122.820 0.073 0.000 2.014 151 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 151 A C 2.128 179.752 177.584 0.066 0.000 1.163 151 A CA 1.516 53.585 52.037 0.053 0.000 0.652 151 A CB -0.528 18.494 19.000 0.037 0.000 0.808 151 A HN 0.285 nan 8.150 nan 0.000 0.449 152 T N -0.327 114.294 114.554 0.112 0.000 2.701 152 T HA -0.111 4.238 4.350 -0.001 0.000 0.263 152 T C 1.895 176.640 174.700 0.075 0.000 1.040 152 T CA 1.605 63.770 62.100 0.109 0.000 1.147 152 T CB -0.445 68.513 68.868 0.151 0.000 0.865 152 T HN 0.143 nan 8.240 nan 0.000 0.426 153 V N 1.881 121.846 119.914 0.085 0.000 2.343 153 V HA -0.209 3.910 4.120 -0.001 0.000 0.247 153 V C 2.374 178.544 176.094 0.126 0.000 1.051 153 V CA 2.150 64.524 62.300 0.123 0.000 1.036 153 V CB -0.716 31.163 31.823 0.093 0.000 0.654 153 V HN 0.542 nan 8.190 nan 0.000 0.451 154 D N -0.300 120.141 120.400 0.068 0.000 2.104 154 D HA -0.223 4.416 4.640 -0.001 0.000 0.194 154 D C 1.980 178.272 176.300 -0.014 0.000 0.994 154 D CA 1.524 55.546 54.000 0.037 0.000 0.830 154 D CB -0.127 40.681 40.800 0.014 0.000 0.959 154 D HN 0.281 nan 8.370 nan 0.000 0.452 155 L N -0.151 121.047 121.223 -0.042 0.000 2.093 155 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 155 L C 2.245 178.996 176.870 -0.200 0.000 1.085 155 L CA 1.102 55.853 54.840 -0.149 0.000 0.755 155 L CB -0.371 41.630 42.059 -0.097 0.000 0.904 155 L HN 0.050 nan 8.230 nan 0.000 0.435 156 V N -0.153 119.717 119.914 -0.074 0.000 2.407 156 V HA -0.301 3.819 4.120 -0.001 0.000 0.248 156 V C 2.762 178.731 176.094 -0.209 0.000 1.055 156 V CA 2.102 64.333 62.300 -0.116 0.000 1.049 156 V CB -0.736 31.030 31.823 -0.094 0.000 0.662 156 V HN 0.503 nan 8.190 nan 0.000 0.455 157 R N 0.048 120.525 120.500 -0.038 0.000 2.075 157 R HA -0.176 4.163 4.340 -0.001 0.000 0.232 157 R C 2.554 178.847 176.300 -0.012 0.000 1.126 157 R CA 1.675 57.828 56.100 0.089 0.000 0.963 157 R CB -0.296 30.181 30.300 0.296 0.000 0.858 157 R HN 0.464 nan 8.270 nan 0.000 0.435 158 R N -0.460 119.987 120.500 -0.088 0.000 2.083 158 R HA -0.196 4.143 4.340 -0.001 0.000 0.237 158 R C 1.789 178.055 176.300 -0.058 0.000 1.137 158 R CA 1.960 57.987 56.100 -0.122 0.000 0.951 158 R CB -0.369 29.782 30.300 -0.248 0.000 0.851 158 R HN 0.404 nan 8.270 nan 0.000 0.434 159 H N -0.302 118.770 119.070 0.003 0.000 2.428 159 H HA -0.011 4.544 4.556 -0.001 0.000 0.296 159 H C 2.215 177.599 175.328 0.093 0.000 1.062 159 H CA 1.267 57.374 56.048 0.099 0.000 1.350 159 H CB -0.142 29.610 29.762 -0.017 0.000 1.403 159 H HN 0.060 nan 8.280 nan 0.000 0.533 160 V N 1.185 121.113 119.914 0.024 0.000 2.343 160 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 160 V C 2.361 178.457 176.094 0.002 0.000 1.051 160 V CA 1.596 63.855 62.300 -0.069 0.000 1.036 160 V CB -0.137 31.490 31.823 -0.327 0.000 0.654 160 V HN 0.321 nan 8.190 nan 0.000 0.451 161 E N -0.009 120.203 120.200 0.021 0.000 2.204 161 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 161 E C 2.210 178.817 176.600 0.010 0.000 0.989 161 E CA 0.944 57.359 56.400 0.025 0.000 0.824 161 E CB -0.172 29.545 29.700 0.029 0.000 0.756 161 E HN 0.704 nan 8.360 nan 0.000 0.477 162 Q N -0.957 118.861 119.800 0.030 0.000 2.472 162 Q HA 0.087 4.426 4.340 -0.001 0.000 0.208 162 Q C 0.964 176.871 176.000 -0.156 0.000 0.958 162 Q CA 0.574 56.356 55.803 -0.035 0.000 0.932 162 Q CB 0.494 29.252 28.738 0.034 0.000 1.007 162 Q HN 0.345 nan 8.270 nan 0.000 0.508 163 G N -0.070 108.674 108.800 -0.093 0.000 2.157 163 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.239 163 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.239 163 G C -0.300 174.518 174.900 -0.138 0.000 0.982 163 G CA -0.495 44.534 45.100 -0.118 0.000 0.650 163 G HN 0.320 nan 8.290 nan 0.000 0.527 164 Y N 0.461 120.738 120.300 -0.039 0.000 2.578 164 Y HA 0.301 4.850 4.550 -0.002 0.000 0.339 164 Y C 1.999 177.859 175.900 -0.067 0.000 1.231 164 Y CA 0.153 58.217 58.100 -0.060 0.000 1.461 164 Y CB 0.532 38.939 38.460 -0.088 0.000 1.323 164 Y HN 0.030 nan 8.280 nan 0.000 0.590 165 R N 1.759 122.328 120.500 0.114 0.000 2.362 165 R HA 0.169 4.508 4.340 -0.001 0.000 0.227 165 R C 0.169 176.466 176.300 -0.006 0.000 0.905 165 R CA 0.128 56.247 56.100 0.032 0.000 1.067 165 R CB 0.319 30.633 30.300 0.024 0.000 1.078 165 R HN 0.507 nan 8.270 nan 0.000 0.516 166 R N 1.057 121.546 120.500 -0.019 0.000 2.604 166 R HA 0.291 4.631 4.340 -0.001 0.000 0.270 166 R C -1.598 174.617 176.300 -0.142 0.000 1.052 166 R CA -0.546 55.489 56.100 -0.109 0.000 0.902 166 R CB 1.477 31.678 30.300 -0.166 0.000 1.233 166 R HN -0.149 nan 8.270 nan 0.000 0.455 167 I N 3.743 124.209 120.570 -0.174 0.000 2.378 167 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 167 I C 0.117 176.117 176.117 -0.195 0.000 0.992 167 I CA -0.611 60.580 61.300 -0.181 0.000 1.154 167 I CB 1.476 39.381 38.000 -0.159 0.000 1.315 167 I HN 0.465 nan 8.210 nan 0.000 0.448 168 K N 7.627 127.921 120.400 -0.176 0.000 2.274 168 K HA 0.620 4.939 4.320 -0.001 0.000 0.262 168 K C -1.482 175.075 176.600 -0.071 0.000 0.961 168 K CA -0.541 55.664 56.287 -0.137 0.000 0.833 168 K CB 1.308 33.743 32.500 -0.109 0.000 1.102 168 K HN 0.541 nan 8.250 nan 0.000 0.436 169 L N 3.710 124.904 121.223 -0.050 0.000 2.295 169 L HA 0.428 4.767 4.340 -0.001 0.000 0.285 169 L C 0.048 176.946 176.870 0.047 0.000 1.035 169 L CA -0.988 53.852 54.840 -0.000 0.000 0.806 169 L CB 1.378 43.425 42.059 -0.020 0.000 1.214 169 L HN 0.539 nan 8.230 nan 0.000 0.426 170 K N 3.791 124.242 120.400 0.086 0.000 2.350 170 K HA 0.539 4.858 4.320 -0.001 0.000 0.279 170 K C -0.567 176.131 176.600 0.164 0.000 1.027 170 K CA -0.118 56.246 56.287 0.128 0.000 0.969 170 K CB 0.694 33.271 32.500 0.129 0.000 0.954 170 K HN 0.573 nan 8.250 nan 0.000 0.474 171 I N -0.358 120.325 120.570 0.188 0.000 3.174 171 I HA 0.626 4.795 4.170 -0.001 0.000 0.313 171 I C -1.416 174.868 176.117 0.279 0.000 1.155 171 I CA -1.090 60.346 61.300 0.227 0.000 0.977 171 I CB 2.279 40.375 38.000 0.160 0.000 1.248 171 I HN 0.635 nan 8.210 nan 0.000 0.453 172 K N 1.258 121.832 120.400 0.289 0.000 2.579 172 K HA 0.593 4.912 4.320 -0.001 0.000 0.284 172 K C -3.289 173.356 176.600 0.076 0.000 0.990 172 K CA -1.723 54.644 56.287 0.133 0.000 0.880 172 K CB 1.612 34.170 32.500 0.096 0.000 1.488 172 K HN 0.254 nan 8.250 nan 0.000 0.425 173 P HA -0.004 nan 4.420 nan 0.000 0.262 173 P C 0.596 177.933 177.300 0.062 0.000 1.182 173 P CA 1.826 64.846 63.100 -0.133 0.000 0.761 173 P CB 0.408 31.953 31.700 -0.258 0.000 0.795 174 G N 1.732 110.614 108.800 0.137 0.000 2.225 174 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.254 174 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.254 174 G C -0.310 174.795 174.900 0.341 0.000 0.988 174 G CA -0.227 44.983 45.100 0.184 0.000 0.625 174 G HN 0.606 nan 8.290 nan 0.000 0.527 175 W N 1.674 123.009 121.300 0.059 0.000 2.258 175 W HA 0.454 5.113 4.660 -0.001 0.000 0.287 175 W C -0.078 176.493 176.519 0.086 0.000 1.024 175 W CA 0.273 57.651 57.345 0.056 0.000 1.377 175 W CB 0.603 30.085 29.460 0.036 0.000 1.351 175 W HN 0.324 nan 8.180 nan 0.000 0.334 176 D N -0.420 119.869 120.400 -0.185 0.000 2.900 176 D HA -0.016 4.623 4.640 -0.001 0.000 0.175 176 D C 1.476 177.628 176.300 -0.247 0.000 1.476 176 D CA 0.226 54.138 54.000 -0.147 0.000 1.488 176 D CB 0.265 41.111 40.800 0.076 0.000 1.426 176 D HN -0.077 nan 8.370 nan 0.000 0.295 177 V N 0.921 120.742 119.914 -0.155 0.000 2.407 177 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 177 V C 2.297 178.216 176.094 -0.292 0.000 1.055 177 V CA 2.239 64.457 62.300 -0.136 0.000 1.049 177 V CB -0.822 30.993 31.823 -0.012 0.000 0.662 177 V HN 0.156 nan 8.190 nan 0.000 0.455 178 Q N 0.320 119.878 119.800 -0.403 0.000 1.993 178 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 178 Q C 0.085 175.723 176.000 -0.603 0.000 0.984 178 Q CA 2.088 57.598 55.803 -0.489 0.000 0.837 178 Q CB -1.825 26.584 28.738 -0.549 0.000 0.902 178 Q HN 0.519 nan 8.270 nan 0.000 0.423 179 P HA -0.143 nan 4.420 nan 0.000 0.216 179 P C 1.268 178.355 177.300 -0.355 0.000 1.150 179 P CA 1.208 63.971 63.100 -0.561 0.000 0.837 179 P CB 0.009 31.341 31.700 -0.612 0.000 0.786 180 V N 0.629 120.313 119.914 -0.384 0.000 2.358 180 V HA -0.185 3.934 4.120 -0.001 0.000 0.246 180 V C 3.021 178.793 176.094 -0.537 0.000 1.047 180 V CA 1.871 63.964 62.300 -0.345 0.000 1.035 180 V CB -1.098 30.563 31.823 -0.270 0.000 0.658 180 V HN 0.078 nan 8.190 nan 0.000 0.452 181 R N 0.441 120.519 120.500 -0.704 0.000 2.073 181 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 181 R C 2.288 178.324 176.300 -0.440 0.000 1.134 181 R CA 1.778 57.332 56.100 -0.909 0.000 0.952 181 R CB -0.488 29.458 30.300 -0.591 0.000 0.850 181 R HN 0.450 nan 8.270 nan 0.000 0.433 182 A N -0.008 122.641 122.820 -0.286 0.000 1.933 182 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 182 A C 2.169 179.694 177.584 -0.098 0.000 1.175 182 A CA 1.973 53.920 52.037 -0.150 0.000 0.628 182 A CB -0.785 18.156 19.000 -0.099 0.000 0.814 182 A HN 0.485 nan 8.150 nan 0.000 0.444 183 T N -0.771 113.723 114.554 -0.099 0.000 2.737 183 T HA -0.104 4.245 4.350 -0.001 0.000 0.265 183 T C 2.139 176.872 174.700 0.055 0.000 1.038 183 T CA 1.641 63.755 62.100 0.023 0.000 1.144 183 T CB -0.209 68.651 68.868 -0.013 0.000 0.866 183 T HN 0.466 nan 8.240 nan 0.000 0.434 184 R N 1.416 121.881 120.500 -0.058 0.000 2.120 184 R HA 0.007 4.347 4.340 -0.001 0.000 0.234 184 R C 2.098 178.401 176.300 0.006 0.000 1.123 184 R CA 1.496 57.595 56.100 -0.001 0.000 0.975 184 R CB -0.448 29.846 30.300 -0.011 0.000 0.866 184 R HN 0.471 nan 8.270 nan 0.000 0.446 185 E N -0.878 119.291 120.200 -0.052 0.000 2.047 185 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 185 E C 1.702 178.241 176.600 -0.102 0.000 0.987 185 E CA 1.350 57.720 56.400 -0.051 0.000 0.799 185 E CB -0.120 29.542 29.700 -0.063 0.000 0.752 185 E HN 0.459 nan 8.360 nan 0.000 0.449 186 A N -0.176 122.552 122.820 -0.152 0.000 2.014 186 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 186 A C 0.521 177.720 177.584 -0.642 0.000 1.163 186 A CA 0.700 52.500 52.037 -0.396 0.000 0.652 186 A CB 0.067 18.797 19.000 -0.451 0.000 0.808 186 A HN 0.205 nan 8.150 nan 0.000 0.449 187 F N -1.114 118.820 119.950 -0.026 0.000 2.686 187 F HA 0.348 4.876 4.527 0.001 0.000 0.365 187 F C -2.108 173.683 175.800 -0.014 0.000 1.196 187 F CA -1.726 56.263 58.000 -0.019 0.000 1.198 187 F CB 1.717 40.704 39.000 -0.022 0.000 1.454 187 F HN 0.016 nan 8.300 nan 0.000 0.539 188 P HA -0.067 nan 4.420 nan 0.000 0.223 188 P C 0.529 177.872 177.300 0.071 0.000 1.151 188 P CA 1.303 64.444 63.100 0.068 0.000 0.787 188 P CB 0.386 32.105 31.700 0.033 0.000 0.788 189 D N -1.188 119.263 120.400 0.085 0.000 2.474 189 D HA 0.115 4.755 4.640 -0.001 0.000 0.213 189 D C 1.107 177.436 176.300 0.048 0.000 1.120 189 D CA -0.066 53.969 54.000 0.058 0.000 0.836 189 D CB 0.420 41.251 40.800 0.051 0.000 1.019 189 D HN 0.261 nan 8.370 nan 0.000 0.507 190 I N -0.753 119.855 120.570 0.064 0.000 2.938 190 I HA 0.147 4.316 4.170 -0.001 0.000 0.285 190 I C 0.614 176.716 176.117 -0.026 0.000 1.182 190 I CA -0.595 60.710 61.300 0.008 0.000 1.388 190 I CB 0.799 38.775 38.000 -0.040 0.000 1.390 190 I HN -0.361 nan 8.210 nan 0.000 0.600 191 R N 4.176 124.643 120.500 -0.055 0.000 2.343 191 R HA 0.360 4.699 4.340 -0.001 0.000 0.326 191 R C -1.258 174.958 176.300 -0.140 0.000 1.055 191 R CA -0.461 55.584 56.100 -0.093 0.000 0.961 191 R CB 0.328 30.571 30.300 -0.094 0.000 0.978 191 R HN 0.655 nan 8.270 nan 0.000 0.443 192 L N 4.582 125.713 121.223 -0.153 0.000 2.341 192 L HA 0.509 4.849 4.340 -0.001 0.000 0.278 192 L C -0.651 176.053 176.870 -0.276 0.000 1.005 192 L CA -0.015 54.719 54.840 -0.177 0.000 0.818 192 L CB 2.104 44.100 42.059 -0.105 0.000 1.259 192 L HN 0.809 nan 8.230 nan 0.000 0.418 193 T N 1.811 116.164 114.554 -0.335 0.000 2.887 193 T HA 0.856 5.205 4.350 -0.001 0.000 0.292 193 T C -0.636 173.924 174.700 -0.234 0.000 1.087 193 T CA -0.304 61.520 62.100 -0.460 0.000 1.009 193 T CB 1.589 69.924 68.868 -0.887 0.000 1.203 193 T HN 0.900 nan 8.240 nan 0.000 0.518 194 V N -1.342 118.486 119.914 -0.143 0.000 2.876 194 V HA 0.765 4.884 4.120 -0.001 0.000 0.312 194 V C -1.541 174.615 176.094 0.104 0.000 1.085 194 V CA -0.904 61.388 62.300 -0.013 0.000 0.945 194 V CB 1.935 33.753 31.823 -0.009 0.000 1.017 194 V HN 1.016 nan 8.190 nan 0.000 0.428 195 D N 2.986 123.464 120.400 0.129 0.000 2.412 195 D HA 0.672 5.311 4.640 -0.001 0.000 0.224 195 D C 0.679 177.096 176.300 0.196 0.000 1.093 195 D CA 0.175 54.288 54.000 0.189 0.000 0.850 195 D CB 1.786 42.697 40.800 0.185 0.000 1.046 195 D HN 0.907 nan 8.370 nan 0.000 0.507 196 A N 4.191 127.143 122.820 0.220 0.000 2.218 196 A HA 0.019 4.338 4.320 -0.001 0.000 0.209 196 A C 1.216 178.991 177.584 0.317 0.000 1.168 196 A CA 0.326 52.542 52.037 0.299 0.000 0.804 196 A CB -0.469 18.668 19.000 0.229 0.000 0.834 196 A HN 0.700 nan 8.150 nan 0.000 0.482 197 N N -0.554 118.295 118.700 0.248 0.000 2.721 197 N HA -0.225 4.514 4.740 -0.001 0.000 0.249 197 N C 0.095 175.731 175.510 0.209 0.000 1.072 197 N CA 1.090 54.267 53.050 0.213 0.000 0.710 197 N CB -2.032 36.561 38.487 0.177 0.000 0.993 197 N HN 0.427 nan 8.380 nan 0.000 0.547 198 S N -3.172 112.677 115.700 0.248 0.000 3.581 198 S HA -0.219 4.250 4.470 -0.001 0.000 0.354 198 S C 0.868 175.576 174.600 0.181 0.000 1.059 198 S CA 1.053 59.395 58.200 0.236 0.000 1.060 198 S CB -1.734 61.608 63.200 0.236 0.000 0.908 198 S HN 0.985 nan 8.310 nan 0.000 0.475 199 A N -1.342 121.587 122.820 0.182 0.000 2.430 199 A HA 0.559 4.878 4.320 -0.001 0.000 0.243 199 A C 0.159 177.642 177.584 -0.170 0.000 1.254 199 A CA 0.104 52.134 52.037 -0.012 0.000 0.914 199 A CB 0.311 19.253 19.000 -0.096 0.000 0.998 199 A HN 0.515 nan 8.150 nan 0.000 0.515 200 Y N -0.427 119.910 120.300 0.060 0.000 2.602 200 Y HA 0.579 5.128 4.550 -0.002 0.000 0.330 200 Y C 0.973 176.881 175.900 0.013 0.000 1.114 200 Y CA -0.038 58.085 58.100 0.039 0.000 1.182 200 Y CB 1.615 40.101 38.460 0.043 0.000 1.305 200 Y HN 0.145 nan 8.280 nan 0.000 0.502 201 T N -2.708 111.948 114.554 0.169 0.000 2.858 201 T HA 0.395 4.744 4.350 -0.001 0.000 0.285 201 T C 0.451 175.188 174.700 0.062 0.000 1.052 201 T CA -0.839 61.305 62.100 0.073 0.000 1.009 201 T CB 0.715 69.609 68.868 0.043 0.000 1.241 201 T HN 0.565 nan 8.240 nan 0.000 0.542 202 L N 0.648 121.881 121.223 0.015 0.000 2.265 202 L HA 0.077 4.416 4.340 -0.001 0.000 0.215 202 L C 3.050 179.934 176.870 0.024 0.000 1.117 202 L CA 1.273 56.116 54.840 0.006 0.000 0.782 202 L CB -0.782 41.268 42.059 -0.014 0.000 0.914 202 L HN 0.940 nan 8.230 nan 0.000 0.441 203 A N -0.511 122.329 122.820 0.034 0.000 2.125 203 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 203 A C 1.613 179.234 177.584 0.061 0.000 1.156 203 A CA 1.588 53.648 52.037 0.039 0.000 0.671 203 A CB -0.337 18.684 19.000 0.036 0.000 0.794 203 A HN 0.370 nan 8.150 nan 0.000 0.459 204 D N -0.264 120.193 120.400 0.095 0.000 2.328 204 D HA 0.279 4.918 4.640 -0.001 0.000 0.221 204 D C 1.872 178.213 176.300 0.070 0.000 1.072 204 D CA 0.749 54.832 54.000 0.139 0.000 0.850 204 D CB 0.038 41.038 40.800 0.333 0.000 0.922 204 D HN 0.427 nan 8.370 nan 0.000 0.516 205 A N 1.155 123.997 122.820 0.036 0.000 1.892 205 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 205 A C 2.361 179.947 177.584 0.004 0.000 1.188 205 A CA 2.143 54.183 52.037 0.006 0.000 0.631 205 A CB -1.092 17.910 19.000 0.003 0.000 0.822 205 A HN 0.327 nan 8.150 nan 0.000 0.447 206 G N -1.061 107.748 108.800 0.016 0.000 2.422 206 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 206 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 206 G C 1.689 176.599 174.900 0.016 0.000 1.140 206 G CA 1.261 46.369 45.100 0.013 0.000 0.775 206 G HN 0.534 nan 8.290 nan 0.000 0.545 207 R N 0.376 120.896 120.500 0.033 0.000 2.062 207 R HA 0.178 4.518 4.340 -0.001 0.000 0.229 207 R C 2.520 178.827 176.300 0.011 0.000 1.128 207 R CA 0.962 57.088 56.100 0.044 0.000 0.960 207 R CB -0.856 29.502 30.300 0.097 0.000 0.855 207 R HN 0.353 nan 8.270 nan 0.000 0.432 208 L N 0.241 121.445 121.223 -0.033 0.000 2.131 208 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 208 L C 2.671 179.512 176.870 -0.048 0.000 1.092 208 L CA 1.557 56.339 54.840 -0.097 0.000 0.759 208 L CB -0.418 41.534 42.059 -0.178 0.000 0.903 208 L HN 0.254 nan 8.230 nan 0.000 0.435 209 R N 0.246 120.729 120.500 -0.028 0.000 2.148 209 R HA -0.174 4.165 4.340 -0.001 0.000 0.227 209 R C 2.169 178.452 176.300 -0.028 0.000 1.103 209 R CA 1.099 57.183 56.100 -0.025 0.000 0.983 209 R CB -0.032 30.256 30.300 -0.020 0.000 0.874 209 R HN 0.443 nan 8.270 nan 0.000 0.451 210 Q N 0.111 119.905 119.800 -0.011 0.000 2.364 210 Q HA -0.117 4.222 4.340 -0.001 0.000 0.209 210 Q C 1.840 177.851 176.000 0.018 0.000 0.977 210 Q CA 0.999 56.800 55.803 -0.003 0.000 0.885 210 Q CB 0.041 28.800 28.738 0.035 0.000 0.941 210 Q HN 0.427 nan 8.270 nan 0.000 0.464 211 L N 0.327 121.573 121.223 0.038 0.000 2.376 211 L HA -0.139 4.200 4.340 -0.001 0.000 0.219 211 L C 1.329 178.212 176.870 0.021 0.000 1.133 211 L CA 0.354 55.257 54.840 0.106 0.000 0.816 211 L CB -0.265 41.822 42.059 0.047 0.000 0.933 211 L HN 0.131 nan 8.230 nan 0.000 0.449 212 D N 0.855 121.221 120.400 -0.058 0.000 2.149 212 D HA -0.226 4.413 4.640 -0.001 0.000 0.198 212 D C 1.946 178.153 176.300 -0.155 0.000 0.990 212 D CA 1.477 55.429 54.000 -0.079 0.000 0.839 212 D CB -0.038 40.719 40.800 -0.071 0.000 0.948 212 D HN 0.586 nan 8.370 nan 0.000 0.460 213 E N -0.386 119.618 120.200 -0.326 0.000 2.478 213 E HA -0.165 4.184 4.350 -0.001 0.000 0.198 213 E C 0.793 177.107 176.600 -0.475 0.000 1.046 213 E CA 0.630 56.766 56.400 -0.440 0.000 0.870 213 E CB -0.399 28.958 29.700 -0.573 0.000 0.818 213 E HN 0.435 nan 8.360 nan 0.000 0.527 214 Y N 1.345 121.624 120.300 -0.035 0.000 2.524 214 Y HA 0.124 4.672 4.550 -0.004 0.000 0.266 214 Y C -0.244 175.632 175.900 -0.040 0.000 1.180 214 Y CA -0.480 57.598 58.100 -0.038 0.000 1.244 214 Y CB 0.313 38.744 38.460 -0.048 0.000 1.125 214 Y HN -0.096 nan 8.280 nan 0.000 0.524 215 D N 0.910 121.332 120.400 0.037 0.000 2.697 215 D HA -0.214 4.425 4.640 -0.001 0.000 0.235 215 D C -0.354 175.947 176.300 0.002 0.000 1.167 215 D CA 0.691 54.698 54.000 0.013 0.000 0.656 215 D CB -1.275 39.531 40.800 0.011 0.000 1.025 215 D HN 0.402 nan 8.370 nan 0.000 0.419 216 L N 0.059 121.279 121.223 -0.005 0.000 2.456 216 L HA 0.035 4.374 4.340 -0.001 0.000 0.272 216 L C 2.167 178.985 176.870 -0.086 0.000 1.189 216 L CA 0.001 54.801 54.840 -0.067 0.000 0.846 216 L CB 0.413 42.431 42.059 -0.068 0.000 1.111 216 L HN -0.033 nan 8.230 nan 0.000 0.475 217 T N 0.887 115.332 114.554 -0.180 0.000 2.867 217 T HA -0.048 4.302 4.350 -0.001 0.000 0.268 217 T C -0.474 174.218 174.700 -0.014 0.000 1.057 217 T CA 1.318 63.338 62.100 -0.132 0.000 1.136 217 T CB -0.152 68.581 68.868 -0.224 0.000 0.874 217 T HN 0.610 nan 8.240 nan 0.000 0.466 218 Y N -2.063 118.228 120.300 -0.015 0.000 2.687 218 Y HA 0.590 5.140 4.550 -0.001 0.000 0.338 218 Y C -1.909 174.000 175.900 0.014 0.000 1.189 218 Y CA -2.213 55.895 58.100 0.012 0.000 1.097 218 Y CB 0.389 38.879 38.460 0.049 0.000 1.342 218 Y HN -0.151 nan 8.280 nan 0.000 0.461 219 I N 2.174 122.903 120.570 0.264 0.000 2.354 219 I HA 0.307 4.476 4.170 -0.001 0.000 0.292 219 I C -0.348 175.936 176.117 0.278 0.000 0.989 219 I CA -0.598 60.824 61.300 0.202 0.000 1.188 219 I CB 1.738 39.783 38.000 0.076 0.000 1.342 219 I HN 0.676 nan 8.210 nan 0.000 0.457 220 E N 5.774 126.162 120.200 0.313 0.000 2.194 220 E HA 0.100 4.449 4.350 -0.001 0.000 0.284 220 E C -0.192 176.527 176.600 0.198 0.000 1.035 220 E CA -0.580 55.985 56.400 0.274 0.000 0.836 220 E CB 0.657 30.580 29.700 0.372 0.000 1.070 220 E HN 0.467 nan 8.360 nan 0.000 0.401 221 Q N 3.910 123.783 119.800 0.120 0.000 2.402 221 Q HA -0.176 4.163 4.340 -0.001 0.000 0.356 221 Q C -1.878 174.311 176.000 0.314 0.000 1.344 221 Q CA 0.603 56.491 55.803 0.142 0.000 1.062 221 Q CB -0.138 28.668 28.738 0.114 0.000 1.268 221 Q HN 0.510 nan 8.270 nan 0.000 0.383 222 P HA -0.150 nan 4.420 nan 0.000 0.220 222 P C 0.280 177.750 177.300 0.283 0.000 1.148 222 P CA 1.192 64.465 63.100 0.287 0.000 0.803 222 P CB 0.283 32.051 31.700 0.114 0.000 0.782 223 L N -1.331 120.013 121.223 0.202 0.000 2.793 223 L HA 0.606 4.945 4.340 -0.001 0.000 0.242 223 L C 0.899 177.844 176.870 0.125 0.000 1.315 223 L CA -1.541 53.282 54.840 -0.029 0.000 1.263 223 L CB -0.503 41.267 42.059 -0.481 0.000 2.076 223 L HN -0.262 nan 8.230 nan 0.000 0.575 224 A N 0.258 123.096 122.820 0.030 0.000 2.483 224 A HA -0.020 4.299 4.320 -0.001 0.000 0.238 224 A C 0.810 178.458 177.584 0.107 0.000 1.070 224 A CA -0.165 51.912 52.037 0.065 0.000 0.770 224 A CB -0.165 18.797 19.000 -0.063 0.000 1.008 224 A HN 0.871 nan 8.150 nan 0.000 0.497 225 W N 2.045 123.380 121.300 0.058 0.000 2.392 225 W HA -0.124 4.535 4.660 -0.002 0.000 0.279 225 W C -0.210 176.303 176.519 -0.009 0.000 1.225 225 W CA 1.358 58.710 57.345 0.012 0.000 1.233 225 W CB -0.424 29.003 29.460 -0.056 0.000 1.122 225 W HN 0.739 nan 8.180 nan 0.000 0.561 226 D N -0.301 119.569 120.400 -0.882 0.000 2.501 226 D HA 0.037 4.676 4.640 -0.001 0.000 0.226 226 D C -0.328 175.720 176.300 -0.420 0.000 1.198 226 D CA -0.229 53.231 54.000 -0.900 0.000 0.830 226 D CB -0.681 39.136 40.800 -1.639 0.000 1.014 226 D HN 0.081 nan 8.370 nan 0.000 0.496 227 D N 0.649 120.933 120.400 -0.194 0.000 2.185 227 D HA 0.220 4.859 4.640 -0.001 0.000 0.247 227 D C 0.540 176.893 176.300 0.089 0.000 1.027 227 D CA -0.547 53.420 54.000 -0.055 0.000 0.861 227 D CB 2.110 42.889 40.800 -0.035 0.000 1.202 227 D HN 0.002 nan 8.370 nan 0.000 0.453 228 L N 2.651 123.890 121.223 0.027 0.000 2.547 228 L HA 0.054 4.393 4.340 -0.001 0.000 0.218 228 L C 2.293 179.195 176.870 0.053 0.000 1.048 228 L CA -0.047 54.818 54.840 0.041 0.000 0.859 228 L CB 0.103 42.143 42.059 -0.031 0.000 1.128 228 L HN 0.298 nan 8.230 nan 0.000 0.483 229 V N 0.429 120.346 119.914 0.005 0.000 2.358 229 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 229 V C 1.966 178.052 176.094 -0.013 0.000 1.047 229 V CA 1.965 64.260 62.300 -0.009 0.000 1.035 229 V CB -0.282 31.525 31.823 -0.026 0.000 0.658 229 V HN 0.397 nan 8.190 nan 0.000 0.452 230 D N -1.537 118.838 120.400 -0.042 0.000 2.183 230 D HA -0.127 4.512 4.640 -0.001 0.000 0.203 230 D C 2.084 178.320 176.300 -0.106 0.000 0.969 230 D CA 0.944 54.891 54.000 -0.087 0.000 0.842 230 D CB -0.312 40.405 40.800 -0.139 0.000 0.957 230 D HN 0.484 nan 8.370 nan 0.000 0.484 231 H N 0.786 119.841 119.070 -0.025 0.000 2.352 231 H HA -0.060 4.495 4.556 -0.002 0.000 0.299 231 H C 2.071 177.386 175.328 -0.023 0.000 1.097 231 H CA 1.432 57.468 56.048 -0.020 0.000 1.311 231 H CB -0.134 29.611 29.762 -0.027 0.000 1.377 231 H HN 0.102 nan 8.280 nan 0.000 0.504 232 A N 0.968 123.839 122.820 0.084 0.000 1.908 232 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 232 A C 2.413 180.007 177.584 0.017 0.000 1.181 232 A CA 1.977 54.035 52.037 0.034 0.000 0.627 232 A CB -0.321 18.687 19.000 0.013 0.000 0.818 232 A HN 0.392 nan 8.150 nan 0.000 0.445 233 E N -0.192 120.010 120.200 0.003 0.000 2.047 233 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 233 E C 1.795 178.392 176.600 -0.005 0.000 0.987 233 E CA 1.338 57.734 56.400 -0.007 0.000 0.799 233 E CB -0.471 29.218 29.700 -0.019 0.000 0.752 233 E HN 0.402 nan 8.360 nan 0.000 0.449 234 L N 0.407 121.624 121.223 -0.010 0.000 2.042 234 L HA -0.060 4.279 4.340 -0.001 0.000 0.210 234 L C 2.211 179.088 176.870 0.012 0.000 1.076 234 L CA 2.295 57.132 54.840 -0.006 0.000 0.749 234 L CB -0.932 41.116 42.059 -0.018 0.000 0.893 234 L HN 0.211 nan 8.230 nan 0.000 0.432 235 A N -0.611 122.226 122.820 0.029 0.000 2.019 235 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 235 A C 2.351 179.943 177.584 0.013 0.000 1.164 235 A CA 1.565 53.617 52.037 0.026 0.000 0.644 235 A CB -0.561 18.457 19.000 0.030 0.000 0.805 235 A HN 0.547 nan 8.150 nan 0.000 0.449 236 R N -0.852 119.653 120.500 0.009 0.000 2.189 236 R HA 0.028 4.367 4.340 -0.001 0.000 0.218 236 R C 1.900 178.201 176.300 0.001 0.000 1.074 236 R CA 0.988 57.091 56.100 0.004 0.000 0.991 236 R CB -0.103 30.198 30.300 0.003 0.000 0.883 236 R HN 0.480 nan 8.270 nan 0.000 0.457 237 R N 0.450 120.950 120.500 -0.000 0.000 2.254 237 R HA 0.202 4.541 4.340 -0.001 0.000 0.195 237 R C 1.024 177.321 176.300 -0.006 0.000 0.957 237 R CA 0.398 56.496 56.100 -0.003 0.000 1.024 237 R CB 0.259 30.556 30.300 -0.005 0.000 0.952 237 R HN 0.217 nan 8.270 nan 0.000 0.484 238 I N -3.447 117.121 120.570 -0.004 0.000 3.042 238 I HA 0.377 4.547 4.170 -0.001 0.000 0.310 238 I C 0.258 176.373 176.117 -0.003 0.000 1.117 238 I CA -1.132 60.163 61.300 -0.008 0.000 1.003 238 I CB 2.434 40.426 38.000 -0.013 0.000 1.228 238 I HN -0.244 nan 8.210 nan 0.000 0.443 239 R N 0.550 121.046 120.500 -0.008 0.000 2.282 239 R HA 0.195 4.534 4.340 -0.001 0.000 0.195 239 R C 0.055 176.358 176.300 0.005 0.000 0.909 239 R CA 0.120 56.218 56.100 -0.003 0.000 1.039 239 R CB 0.270 30.562 30.300 -0.013 0.000 1.015 239 R HN 0.675 nan 8.270 nan 0.000 0.513 240 T N 3.966 118.522 114.554 0.004 0.000 2.853 240 T HA 0.114 4.463 4.350 -0.001 0.000 0.298 240 T C -2.356 172.369 174.700 0.042 0.000 0.978 240 T CA -0.940 61.171 62.100 0.018 0.000 1.152 240 T CB 1.041 69.916 68.868 0.012 0.000 0.914 240 T HN -0.062 nan 8.240 nan 0.000 0.539 241 P HA 0.169 nan 4.420 nan 0.000 0.269 241 P C -0.466 176.906 177.300 0.120 0.000 1.209 241 P CA -0.218 62.934 63.100 0.086 0.000 0.776 241 P CB 0.445 32.211 31.700 0.109 0.000 0.876 242 L N 2.276 123.550 121.223 0.085 0.000 2.325 242 L HA 0.438 4.777 4.340 -0.001 0.000 0.279 242 L C 0.259 177.144 176.870 0.025 0.000 1.054 242 L CA -0.662 54.225 54.840 0.079 0.000 0.804 242 L CB 1.442 43.537 42.059 0.061 0.000 1.200 242 L HN 0.431 nan 8.230 nan 0.000 0.436 243 C N 4.977 124.284 119.300 0.012 0.000 2.322 243 C HA 0.577 5.036 4.460 -0.001 0.000 0.324 243 C C -0.163 174.749 174.990 -0.130 0.000 1.284 243 C CA -0.733 58.213 59.018 -0.119 0.000 1.606 243 C CB 0.379 27.938 27.740 -0.302 0.000 2.251 243 C HN 0.535 nan 8.230 nan 0.000 0.502 244 L N 5.560 126.670 121.223 -0.189 0.000 2.334 244 L HA 0.466 4.805 4.340 -0.001 0.000 0.277 244 L C 0.565 177.334 176.870 -0.167 0.000 1.075 244 L CA 0.637 55.350 54.840 -0.212 0.000 0.804 244 L CB 1.256 43.178 42.059 -0.228 0.000 1.174 244 L HN 0.841 nan 8.230 nan 0.000 0.438 245 D N 0.772 121.113 120.400 -0.099 0.000 3.040 245 D HA 0.007 4.646 4.640 -0.001 0.000 0.221 245 D C 1.219 177.526 176.300 0.011 0.000 1.515 245 D CA 0.327 54.304 54.000 -0.039 0.000 1.379 245 D CB 0.436 41.273 40.800 0.062 0.000 0.992 245 D HN 0.454 nan 8.370 nan 0.000 0.234 246 E N 0.151 120.384 120.200 0.056 0.000 2.268 246 E HA -0.051 4.298 4.350 -0.001 0.000 0.195 246 E C 1.781 178.433 176.600 0.088 0.000 0.995 246 E CA 1.208 57.640 56.400 0.053 0.000 0.836 246 E CB -0.100 29.642 29.700 0.069 0.000 0.763 246 E HN 0.282 nan 8.360 nan 0.000 0.491 247 S N -0.535 115.174 115.700 0.015 0.000 2.603 247 S HA 0.055 4.524 4.470 -0.001 0.000 0.220 247 S C 0.641 175.207 174.600 -0.056 0.000 0.967 247 S CA -0.234 57.938 58.200 -0.048 0.000 0.920 247 S CB 0.233 63.376 63.200 -0.095 0.000 0.773 247 S HN -0.053 nan 8.310 nan 0.000 0.529 248 V N 1.896 121.781 119.914 -0.048 0.000 2.284 248 V HA 0.704 4.823 4.120 -0.001 0.000 0.274 248 V C 0.520 176.600 176.094 -0.022 0.000 1.023 248 V CA -0.065 62.201 62.300 -0.056 0.000 0.808 248 V CB 0.482 32.248 31.823 -0.094 0.000 1.035 248 V HN 0.446 nan 8.190 nan 0.000 0.445 249 A N 3.743 126.560 122.820 -0.005 0.000 2.538 249 A HA 0.707 5.026 4.320 -0.001 0.000 0.269 249 A C 0.585 178.177 177.584 0.014 0.000 1.231 249 A CA 0.487 52.535 52.037 0.018 0.000 0.948 249 A CB 0.231 19.257 19.000 0.042 0.000 1.110 249 A HN 0.966 nan 8.150 nan 0.000 0.529 250 S N -3.311 112.390 115.700 0.001 0.000 2.615 250 S HA 0.577 5.046 4.470 -0.001 0.000 0.268 250 S C 0.719 175.320 174.600 0.002 0.000 1.146 250 S CA 0.097 58.302 58.200 0.008 0.000 0.818 250 S CB 0.719 63.926 63.200 0.012 0.000 1.111 250 S HN 1.100 nan 8.310 nan 0.000 0.465 251 A N 1.480 124.309 122.820 0.015 0.000 1.969 251 A HA 0.062 4.381 4.320 -0.001 0.000 0.218 251 A C 2.275 179.869 177.584 0.016 0.000 1.169 251 A CA 2.160 54.209 52.037 0.019 0.000 0.635 251 A CB -1.407 17.615 19.000 0.037 0.000 0.810 251 A HN 1.685 nan 8.150 nan 0.000 0.445 252 S N -0.150 115.558 115.700 0.014 0.000 2.428 252 S HA -0.123 4.346 4.470 -0.001 0.000 0.230 252 S C 1.305 175.900 174.600 -0.008 0.000 1.014 252 S CA 1.185 59.392 58.200 0.012 0.000 0.957 252 S CB -0.363 62.845 63.200 0.013 0.000 0.784 252 S HN 0.458 nan 8.310 nan 0.000 0.499 253 D N 2.530 122.918 120.400 -0.020 0.000 2.117 253 D HA 0.085 4.724 4.640 -0.001 0.000 0.197 253 D C 2.279 178.537 176.300 -0.070 0.000 0.987 253 D CA 1.443 55.418 54.000 -0.043 0.000 0.829 253 D CB -0.672 40.103 40.800 -0.042 0.000 0.961 253 D HN 0.540 nan 8.370 nan 0.000 0.460 254 A N 1.230 124.010 122.820 -0.066 0.000 1.877 254 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 254 A C 2.185 179.680 177.584 -0.148 0.000 1.186 254 A CA 1.481 53.453 52.037 -0.108 0.000 0.620 254 A CB -0.452 18.501 19.000 -0.078 0.000 0.822 254 A HN 0.049 nan 8.150 nan 0.000 0.443 255 R N 0.401 120.868 120.500 -0.055 0.000 2.096 255 R HA -0.177 4.162 4.340 -0.001 0.000 0.240 255 R C 1.923 178.171 176.300 -0.087 0.000 1.139 255 R CA 2.272 58.373 56.100 0.003 0.000 0.952 255 R CB -0.470 29.900 30.300 0.116 0.000 0.854 255 R HN 0.588 nan 8.270 nan 0.000 0.436 256 K N -0.212 120.150 120.400 -0.064 0.000 2.057 256 K HA -0.036 4.283 4.320 -0.001 0.000 0.206 256 K C 2.175 178.706 176.600 -0.116 0.000 1.050 256 K CA 1.356 57.606 56.287 -0.062 0.000 0.935 256 K CB -0.181 32.294 32.500 -0.042 0.000 0.715 256 K HN 0.246 nan 8.250 nan 0.000 0.439 257 A N 1.246 123.975 122.820 -0.152 0.000 1.902 257 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 257 A C 2.086 179.525 177.584 -0.243 0.000 1.181 257 A CA 1.346 53.281 52.037 -0.170 0.000 0.623 257 A CB -0.584 18.311 19.000 -0.175 0.000 0.818 257 A HN 0.157 nan 8.150 nan 0.000 0.443 258 L N -1.237 119.730 121.223 -0.426 0.000 2.131 258 L HA -0.056 4.284 4.340 -0.001 0.000 0.206 258 L C 2.997 179.545 176.870 -0.537 0.000 1.087 258 L CA 0.853 55.297 54.840 -0.660 0.000 0.767 258 L CB -0.419 40.846 42.059 -1.324 0.000 0.917 258 L HN 0.416 nan 8.230 nan 0.000 0.441 259 A N -0.044 122.544 122.820 -0.385 0.000 1.930 259 A HA -0.051 4.268 4.320 -0.001 0.000 0.215 259 A C 2.174 179.755 177.584 -0.006 0.000 1.176 259 A CA 0.896 52.934 52.037 0.000 0.000 0.632 259 A CB -0.513 18.582 19.000 0.159 0.000 0.819 259 A HN 0.330 nan 8.150 nan 0.000 0.445 260 L N -0.885 120.308 121.223 -0.049 0.000 2.362 260 L HA 0.028 4.367 4.340 -0.001 0.000 0.219 260 L C 1.685 178.538 176.870 -0.029 0.000 1.134 260 L CA 0.675 55.498 54.840 -0.029 0.000 0.807 260 L CB -0.442 41.597 42.059 -0.034 0.000 0.927 260 L HN 0.603 nan 8.230 nan 0.000 0.447 261 G N -0.554 108.213 108.800 -0.055 0.000 2.198 261 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.257 261 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.257 261 G C 0.914 175.796 174.900 -0.030 0.000 1.042 261 G CA 0.382 45.458 45.100 -0.040 0.000 0.791 261 G HN 0.451 nan 8.290 nan 0.000 0.502 262 A N -1.077 121.713 122.820 -0.049 0.000 2.066 262 A HA 0.585 4.904 4.320 -0.001 0.000 0.218 262 A C 1.678 179.239 177.584 -0.038 0.000 1.157 262 A CA 1.880 53.908 52.037 -0.015 0.000 0.670 262 A CB 0.145 19.125 19.000 -0.034 0.000 0.804 262 A HN 2.218 nan 8.150 nan 0.000 0.453 263 G N -4.042 104.710 108.800 -0.081 0.000 2.559 263 G HA2 0.452 4.411 3.960 -0.001 0.000 0.291 263 G HA3 0.452 4.411 3.960 -0.001 0.000 0.291 263 G C 0.145 174.993 174.900 -0.086 0.000 1.424 263 G CA 0.219 45.272 45.100 -0.077 0.000 0.786 263 G HN 0.663 nan 8.290 nan 0.000 0.485 264 G N -1.379 107.390 108.800 -0.052 0.000 3.228 264 G HA2 0.485 4.445 3.960 -0.001 0.000 0.245 264 G HA3 0.485 4.445 3.960 -0.001 0.000 0.245 264 G C -0.362 174.515 174.900 -0.038 0.000 1.051 264 G CA 0.318 45.395 45.100 -0.039 0.000 0.809 264 G HN 0.980 nan 8.290 nan 0.000 0.531 265 V N 0.973 120.845 119.914 -0.070 0.000 2.932 265 V HA 0.495 4.614 4.120 -0.001 0.000 0.307 265 V C -1.033 174.965 176.094 -0.159 0.000 1.147 265 V CA -0.801 61.449 62.300 -0.082 0.000 0.951 265 V CB 2.423 34.188 31.823 -0.097 0.000 1.031 265 V HN 0.090 nan 8.190 nan 0.000 0.426 266 I N 2.794 123.247 120.570 -0.194 0.000 2.406 266 I HA 0.382 4.551 4.170 -0.001 0.000 0.290 266 I C 0.099 175.896 176.117 -0.533 0.000 0.999 266 I CA -0.357 60.769 61.300 -0.290 0.000 1.124 266 I CB 1.689 39.543 38.000 -0.244 0.000 1.289 266 I HN 0.744 nan 8.210 nan 0.000 0.441 267 N N 6.486 124.790 118.700 -0.660 0.000 2.399 267 N HA 0.196 4.935 4.740 -0.001 0.000 0.259 267 N C -1.039 174.093 175.510 -0.630 0.000 1.160 267 N CA -0.594 51.771 53.050 -1.142 0.000 0.946 267 N CB 0.616 38.552 38.487 -0.918 0.000 1.156 267 N HN 0.346 nan 8.380 nan 0.000 0.489 268 L N 4.315 125.207 121.223 -0.552 0.000 2.262 268 L HA 0.394 4.733 4.340 -0.001 0.000 0.288 268 L C -0.888 175.908 176.870 -0.123 0.000 1.035 268 L CA -0.281 54.420 54.840 -0.232 0.000 0.820 268 L CB 0.654 42.630 42.059 -0.138 0.000 1.204 268 L HN 0.420 nan 8.230 nan 0.000 0.424 269 K N 4.420 124.767 120.400 -0.088 0.000 2.358 269 K HA 0.250 4.569 4.320 -0.001 0.000 0.260 269 K C 0.635 177.214 176.600 -0.035 0.000 0.956 269 K CA -0.532 55.721 56.287 -0.057 0.000 0.834 269 K CB 2.449 34.913 32.500 -0.059 0.000 1.102 269 K HN 0.500 nan 8.250 nan 0.000 0.431 270 V N 3.125 123.011 119.914 -0.047 0.000 2.282 270 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 270 V C 1.860 177.886 176.094 -0.113 0.000 1.057 270 V CA 2.826 65.067 62.300 -0.099 0.000 1.032 270 V CB -0.195 31.510 31.823 -0.197 0.000 0.645 270 V HN 0.949 nan 8.190 nan 0.000 0.447 271 A N -0.300 122.460 122.820 -0.100 0.000 1.968 271 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 271 A C 2.400 179.977 177.584 -0.012 0.000 1.169 271 A CA 1.510 53.502 52.037 -0.074 0.000 0.638 271 A CB -0.657 18.300 19.000 -0.071 0.000 0.812 271 A HN 0.583 nan 8.150 nan 0.000 0.446 272 R N 0.245 120.757 120.500 0.020 0.000 2.096 272 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 272 R C 1.754 178.079 176.300 0.042 0.000 1.127 272 R CA 1.976 58.119 56.100 0.071 0.000 0.968 272 R CB -0.311 30.066 30.300 0.127 0.000 0.861 272 R HN 0.531 nan 8.270 nan 0.000 0.440 273 V N -3.023 116.900 119.914 0.015 0.000 3.623 273 V HA 0.364 4.483 4.120 -0.001 0.000 0.271 273 V C 0.873 176.975 176.094 0.013 0.000 1.248 273 V CA 0.795 63.103 62.300 0.014 0.000 1.156 273 V CB 0.290 32.117 31.823 0.007 0.000 0.870 273 V HN 0.466 nan 8.190 nan 0.000 0.453 274 G N -1.551 107.250 108.800 0.001 0.000 2.163 274 G HA2 0.308 4.267 3.960 -0.001 0.000 0.213 274 G HA3 0.308 4.267 3.960 -0.001 0.000 0.213 274 G C 1.019 175.909 174.900 -0.017 0.000 0.991 274 G CA -0.016 45.083 45.100 -0.001 0.000 0.653 274 G HN 2.304 nan 8.290 nan 0.000 0.518 275 G N -1.775 106.992 108.800 -0.056 0.000 2.373 275 G HA2 0.209 4.168 3.960 -0.001 0.000 0.634 275 G HA3 0.209 4.168 3.960 -0.001 0.000 0.634 275 G C 0.226 175.074 174.900 -0.086 0.000 1.267 275 G CA 0.444 45.477 45.100 -0.110 0.000 1.008 275 G HN 0.575 nan 8.290 nan 0.000 0.497 276 H N -0.088 118.997 119.070 0.025 0.000 2.357 276 H HA 0.049 4.604 4.556 -0.002 0.000 0.301 276 H C 3.080 178.366 175.328 -0.070 0.000 1.082 276 H CA 2.482 58.449 56.048 -0.135 0.000 1.342 276 H CB -0.534 28.901 29.762 -0.545 0.000 1.389 276 H HN 0.749 nan 8.280 nan 0.000 0.511 277 A N 1.055 124.038 122.820 0.271 0.000 1.858 277 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 277 A C 2.400 180.081 177.584 0.161 0.000 1.190 277 A CA 1.974 54.176 52.037 0.275 0.000 0.617 277 A CB -0.377 18.861 19.000 0.396 0.000 0.827 277 A HN 0.367 nan 8.150 nan 0.000 0.443 278 E N 0.068 120.345 120.200 0.129 0.000 2.106 278 E HA -0.090 4.260 4.350 -0.001 0.000 0.192 278 E C 2.168 178.814 176.600 0.077 0.000 0.984 278 E CA 1.419 57.870 56.400 0.086 0.000 0.806 278 E CB -0.246 29.490 29.700 0.059 0.000 0.750 278 E HN 0.488 nan 8.360 nan 0.000 0.458 279 S N -0.025 115.719 115.700 0.073 0.000 2.368 279 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 279 S C 1.903 176.580 174.600 0.128 0.000 1.030 279 S CA 1.349 59.600 58.200 0.085 0.000 0.999 279 S CB -0.318 62.933 63.200 0.085 0.000 0.844 279 S HN 0.293 nan 8.310 nan 0.000 0.459 280 R N 1.047 121.618 120.500 0.119 0.000 2.096 280 R HA -0.020 4.319 4.340 -0.001 0.000 0.235 280 R C 2.402 178.815 176.300 0.189 0.000 1.127 280 R CA 1.204 57.392 56.100 0.146 0.000 0.968 280 R CB -0.092 30.260 30.300 0.087 0.000 0.861 280 R HN 0.276 nan 8.270 nan 0.000 0.440 281 R N -0.384 120.195 120.500 0.132 0.000 2.081 281 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 281 R C 2.257 178.605 176.300 0.081 0.000 1.131 281 R CA 1.623 57.784 56.100 0.103 0.000 0.960 281 R CB -0.274 30.076 30.300 0.084 0.000 0.856 281 R HN 0.108 nan 8.270 nan 0.000 0.436 282 V N 0.133 120.090 119.914 0.071 0.000 2.427 282 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 282 V C 2.190 178.293 176.094 0.016 0.000 1.051 282 V CA 2.180 64.497 62.300 0.028 0.000 1.048 282 V CB -0.619 31.204 31.823 0.000 0.000 0.666 282 V HN 0.438 nan 8.190 nan 0.000 0.456 283 H N 0.654 119.693 119.070 -0.052 0.000 2.319 283 H HA -0.184 4.371 4.556 -0.002 0.000 0.299 283 H C 1.951 177.256 175.328 -0.040 0.000 1.092 283 H CA 2.274 58.261 56.048 -0.101 0.000 1.302 283 H CB -0.120 29.603 29.762 -0.066 0.000 1.373 283 H HN 0.386 nan 8.280 nan 0.000 0.497 284 D N -0.173 120.181 120.400 -0.076 0.000 2.183 284 D HA -0.095 4.544 4.640 -0.001 0.000 0.203 284 D C 2.430 178.697 176.300 -0.056 0.000 0.969 284 D CA 1.001 54.936 54.000 -0.109 0.000 0.842 284 D CB -0.200 40.622 40.800 0.037 0.000 0.957 284 D HN 0.318 nan 8.370 nan 0.000 0.484 285 V N 1.467 121.385 119.914 0.007 0.000 2.307 285 V HA -0.208 3.911 4.120 -0.001 0.000 0.245 285 V C 2.536 178.724 176.094 0.156 0.000 1.045 285 V CA 1.738 64.090 62.300 0.087 0.000 1.024 285 V CB -0.706 31.179 31.823 0.103 0.000 0.651 285 V HN 0.168 nan 8.190 nan 0.000 0.449 286 A N -0.784 122.057 122.820 0.034 0.000 1.883 286 A HA -0.343 3.976 4.320 -0.001 0.000 0.217 286 A C 2.238 179.832 177.584 0.016 0.000 1.186 286 A CA 2.311 54.354 52.037 0.009 0.000 0.624 286 A CB -0.645 18.290 19.000 -0.108 0.000 0.822 286 A HN 0.600 nan 8.150 nan 0.000 0.444 287 Q N 0.212 119.945 119.800 -0.112 0.000 2.135 287 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 287 Q C 2.193 178.171 176.000 -0.037 0.000 0.981 287 Q CA 2.269 58.000 55.803 -0.120 0.000 0.856 287 Q CB -0.225 28.367 28.738 -0.244 0.000 0.902 287 Q HN 0.805 nan 8.270 nan 0.000 0.425 288 S N -0.944 114.744 115.700 -0.020 0.000 2.447 288 S HA -0.093 4.376 4.470 -0.001 0.000 0.233 288 S C 1.260 175.782 174.600 -0.129 0.000 1.006 288 S CA 0.609 58.764 58.200 -0.075 0.000 0.957 288 S CB -0.342 62.791 63.200 -0.110 0.000 0.773 288 S HN 0.429 nan 8.310 nan 0.000 0.507 289 F N 2.133 122.052 119.950 -0.052 0.000 2.797 289 F HA 0.380 4.906 4.527 -0.002 0.000 0.302 289 F C 1.868 177.646 175.800 -0.037 0.000 1.130 289 F CA 0.071 58.047 58.000 -0.040 0.000 1.387 289 F CB -0.293 38.682 39.000 -0.042 0.000 1.107 289 F HN 0.376 nan 8.300 nan 0.000 0.577 290 G N 1.117 109.975 108.800 0.096 0.000 2.283 290 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.280 290 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.280 290 G C 0.121 175.055 174.900 0.057 0.000 1.029 290 G CA 0.162 45.295 45.100 0.054 0.000 0.840 290 G HN 0.660 nan 8.290 nan 0.000 0.505 291 A N 0.357 123.212 122.820 0.058 0.000 2.317 291 A HA 0.904 5.223 4.320 -0.001 0.000 0.327 291 A C -1.711 175.860 177.584 -0.021 0.000 1.178 291 A CA -1.543 50.504 52.037 0.017 0.000 0.817 291 A CB 1.894 20.887 19.000 -0.011 0.000 1.189 291 A HN 0.194 nan 8.150 nan 0.000 0.489 292 P HA 0.402 nan 4.420 nan 0.000 0.277 292 P C -0.259 177.014 177.300 -0.046 0.000 1.240 292 P CA -0.112 62.984 63.100 -0.007 0.000 0.798 292 P CB 1.338 33.077 31.700 0.065 0.000 0.979 293 V N -0.535 119.303 119.914 -0.127 0.000 3.019 293 V HA 0.849 4.968 4.120 -0.001 0.000 0.317 293 V C -0.798 175.266 176.094 -0.050 0.000 1.094 293 V CA -0.840 61.323 62.300 -0.229 0.000 1.000 293 V CB 2.190 33.710 31.823 -0.503 0.000 1.060 293 V HN 0.797 nan 8.190 nan 0.000 0.443 294 W N 0.272 121.503 121.300 -0.116 0.000 3.083 294 W HA 0.648 5.308 4.660 -0.001 0.000 0.333 294 W C -1.286 175.406 176.519 0.288 0.000 1.217 294 W CA -1.410 56.031 57.345 0.161 0.000 1.170 294 W CB 1.116 30.655 29.460 0.133 0.000 1.437 294 W HN 0.865 nan 8.180 nan 0.000 0.557 295 C N 3.091 122.774 119.300 0.638 0.000 2.373 295 C HA 0.656 5.115 4.460 -0.001 0.000 0.354 295 C C 1.155 176.269 174.990 0.206 0.000 1.249 295 C CA 0.582 59.809 59.018 0.347 0.000 1.784 295 C CB -0.954 26.903 27.740 0.196 0.000 2.408 295 C HN 0.789 nan 8.230 nan 0.000 0.542 296 G N 4.085 112.827 108.800 -0.097 0.000 2.562 296 G HA2 0.604 4.563 3.960 -0.001 0.000 0.275 296 G HA3 0.604 4.563 3.960 -0.001 0.000 0.275 296 G C 0.012 174.914 174.900 0.003 0.000 1.196 296 G CA 0.130 45.179 45.100 -0.085 0.000 0.908 296 G HN 1.196 nan 8.290 nan 0.000 0.524 297 G N -1.173 107.629 108.800 0.003 0.000 2.574 297 G HA2 0.513 4.472 3.960 -0.001 0.000 0.299 297 G HA3 0.513 4.472 3.960 -0.001 0.000 0.299 297 G C -0.325 174.495 174.900 -0.133 0.000 1.298 297 G CA -0.627 44.444 45.100 -0.048 0.000 0.952 297 G HN 0.391 nan 8.290 nan 0.000 0.477 298 M N 1.846 121.351 119.600 -0.158 0.000 3.637 298 M HA 0.227 4.706 4.480 -0.001 0.000 0.452 298 M C -0.078 176.132 176.300 -0.151 0.000 1.718 298 M CA -0.406 54.780 55.300 -0.190 0.000 0.690 298 M CB 0.318 32.795 32.600 -0.204 0.000 1.448 298 M HN 0.408 nan 8.290 nan 0.000 0.524 299 L N 1.073 122.154 121.223 -0.236 0.000 3.660 299 L HA -0.241 4.098 4.340 -0.001 0.000 0.440 299 L C -0.025 176.828 176.870 -0.029 0.000 1.262 299 L CA 0.897 55.551 54.840 -0.311 0.000 0.837 299 L CB -1.766 40.188 42.059 -0.176 0.000 1.689 299 L HN 0.405 nan 8.230 nan 0.000 0.890 300 E N -0.676 119.507 120.200 -0.028 0.000 2.366 300 E HA 0.516 4.865 4.350 -0.001 0.000 0.266 300 E C 0.826 177.625 176.600 0.331 0.000 1.051 300 E CA 0.468 56.941 56.400 0.121 0.000 0.884 300 E CB 0.697 30.425 29.700 0.047 0.000 1.006 300 E HN 0.438 nan 8.360 nan 0.000 0.417 301 S N 0.895 116.705 115.700 0.184 0.000 2.633 301 S HA 0.168 4.637 4.470 -0.001 0.000 0.257 301 S C 1.477 176.107 174.600 0.050 0.000 1.265 301 S CA -0.240 57.926 58.200 -0.055 0.000 0.980 301 S CB 0.797 63.816 63.200 -0.301 0.000 1.017 301 S HN 0.609 nan 8.310 nan 0.000 0.577 302 G N 0.065 108.862 108.800 -0.005 0.000 2.448 302 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.219 302 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.219 302 G C 1.255 176.190 174.900 0.058 0.000 1.127 302 G CA 0.723 45.853 45.100 0.051 0.000 0.766 302 G HN 0.587 nan 8.290 nan 0.000 0.552 303 I N 1.817 122.416 120.570 0.048 0.000 2.099 303 I HA -0.108 4.061 4.170 -0.001 0.000 0.239 303 I C 3.029 179.266 176.117 0.199 0.000 1.066 303 I CA 1.614 62.975 61.300 0.102 0.000 1.324 303 I CB -1.552 36.498 38.000 0.084 0.000 1.037 303 I HN 0.228 nan 8.210 nan 0.000 0.401 304 G N 0.098 108.983 108.800 0.142 0.000 2.402 304 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 304 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 304 G C 1.919 176.901 174.900 0.136 0.000 1.162 304 G CA 0.672 45.854 45.100 0.137 0.000 0.777 304 G HN 0.288 nan 8.290 nan 0.000 0.539 305 R N 0.444 121.007 120.500 0.105 0.000 2.091 305 R HA -0.022 4.318 4.340 -0.001 0.000 0.238 305 R C 2.829 179.183 176.300 0.090 0.000 1.136 305 R CA 1.550 57.703 56.100 0.087 0.000 0.959 305 R CB -0.315 30.045 30.300 0.100 0.000 0.856 305 R HN 0.306 nan 8.270 nan 0.000 0.437 306 A N 0.023 122.902 122.820 0.097 0.000 1.898 306 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 306 A C 1.872 179.531 177.584 0.125 0.000 1.181 306 A CA 1.294 53.384 52.037 0.088 0.000 0.620 306 A CB -0.756 18.272 19.000 0.046 0.000 0.819 306 A HN 0.425 nan 8.150 nan 0.000 0.442 307 H N 0.182 119.326 119.070 0.123 0.000 2.352 307 H HA -0.105 4.450 4.556 -0.002 0.000 0.299 307 H C 1.795 177.216 175.328 0.156 0.000 1.097 307 H CA 1.756 57.906 56.048 0.170 0.000 1.311 307 H CB -0.053 29.809 29.762 0.167 0.000 1.377 307 H HN 0.441 nan 8.280 nan 0.000 0.504 308 N N 0.734 119.547 118.700 0.188 0.000 2.142 308 N HA -0.086 4.653 4.740 -0.001 0.000 0.186 308 N C 2.225 177.714 175.510 -0.036 0.000 1.023 308 N CA 0.597 53.682 53.050 0.059 0.000 0.852 308 N CB -0.367 38.140 38.487 0.032 0.000 0.998 308 N HN 0.346 nan 8.380 nan 0.000 0.424 309 I N 0.670 121.224 120.570 -0.026 0.000 2.226 309 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 309 I C 2.188 178.171 176.117 -0.223 0.000 1.100 309 I CA 1.098 62.321 61.300 -0.129 0.000 1.374 309 I CB -0.305 37.616 38.000 -0.132 0.000 1.057 309 I HN 0.264 nan 8.210 nan 0.000 0.413 310 H N -0.016 118.966 119.070 -0.147 0.000 2.357 310 H HA -0.145 4.410 4.556 -0.001 0.000 0.301 310 H C 2.178 177.350 175.328 -0.261 0.000 1.082 310 H CA 1.535 57.464 56.048 -0.199 0.000 1.342 310 H CB -0.136 29.491 29.762 -0.226 0.000 1.389 310 H HN 0.204 nan 8.280 nan 0.000 0.511 311 L N 1.063 122.218 121.223 -0.112 0.000 2.042 311 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 311 L C 2.126 178.628 176.870 -0.613 0.000 1.076 311 L CA 1.501 56.204 54.840 -0.228 0.000 0.749 311 L CB -0.658 41.373 42.059 -0.046 0.000 0.893 311 L HN -0.016 nan 8.230 nan 0.000 0.432 312 S N -1.222 114.027 115.700 -0.750 0.000 2.547 312 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 312 S C 1.678 175.956 174.600 -0.537 0.000 0.980 312 S CA 1.074 58.626 58.200 -1.081 0.000 0.941 312 S CB -0.808 62.050 63.200 -0.569 0.000 0.763 312 S HN 0.788 nan 8.310 nan 0.000 0.532 313 T N -0.336 114.005 114.554 -0.355 0.000 3.118 313 T HA 0.161 4.510 4.350 -0.001 0.000 0.260 313 T C 0.497 175.097 174.700 -0.166 0.000 1.139 313 T CA -0.005 61.965 62.100 -0.216 0.000 1.085 313 T CB -0.381 68.370 68.868 -0.196 0.000 0.934 313 T HN -0.006 nan 8.240 nan 0.000 0.518 314 L N 2.963 124.102 121.223 -0.139 0.000 2.452 314 L HA 0.291 4.631 4.340 -0.001 0.000 0.267 314 L C 1.868 178.823 176.870 0.142 0.000 1.188 314 L CA 0.272 55.070 54.840 -0.070 0.000 0.821 314 L CB 0.925 42.797 42.059 -0.312 0.000 1.102 314 L HN 0.351 nan 8.230 nan 0.000 0.470 315 S N 0.298 116.101 115.700 0.172 0.000 2.453 315 S HA -0.102 4.368 4.470 -0.001 0.000 0.231 315 S C 1.238 175.992 174.600 0.256 0.000 1.005 315 S CA 0.961 59.259 58.200 0.163 0.000 0.949 315 S CB -0.453 62.810 63.200 0.105 0.000 0.774 315 S HN 0.756 nan 8.310 nan 0.000 0.510 316 N N -0.196 118.799 118.700 0.491 0.000 2.336 316 N HA 0.132 4.871 4.740 -0.001 0.000 0.189 316 N C -0.944 174.625 175.510 0.098 0.000 1.113 316 N CA -0.229 52.931 53.050 0.183 0.000 0.858 316 N CB 0.022 38.373 38.487 -0.227 0.000 0.970 316 N HN 0.322 nan 8.380 nan 0.000 0.471 317 F N 1.420 121.500 119.950 0.217 0.000 2.685 317 F HA 0.170 4.696 4.527 -0.002 0.000 0.349 317 F C 1.396 177.272 175.800 0.127 0.000 1.294 317 F CA 0.069 58.163 58.000 0.156 0.000 1.201 317 F CB 0.206 39.264 39.000 0.095 0.000 1.615 317 F HN -0.113 nan 8.300 nan 0.000 0.674 318 R N 1.121 121.744 120.500 0.206 0.000 2.362 318 R HA 0.300 4.639 4.340 -0.001 0.000 0.227 318 R C -0.124 176.264 176.300 0.148 0.000 0.905 318 R CA 0.079 56.270 56.100 0.152 0.000 1.067 318 R CB 0.432 30.792 30.300 0.101 0.000 1.078 318 R HN 0.393 nan 8.270 nan 0.000 0.516 319 L N 0.931 122.274 121.223 0.201 0.000 2.333 319 L HA 0.499 4.838 4.340 -0.001 0.000 0.269 319 L C -2.381 174.601 176.870 0.186 0.000 1.010 319 L CA -2.657 52.274 54.840 0.152 0.000 0.818 319 L CB 1.756 43.888 42.059 0.122 0.000 1.306 319 L HN -0.274 nan 8.230 nan 0.000 0.430 320 P HA 0.126 nan 4.420 nan 0.000 0.269 320 P C -0.422 176.980 177.300 0.169 0.000 1.215 320 P CA -0.133 63.027 63.100 0.099 0.000 0.780 320 P CB 0.640 32.358 31.700 0.029 0.000 0.898 321 G N 0.343 109.281 108.800 0.230 0.000 2.489 321 G HA2 0.301 4.260 3.960 -0.001 0.000 0.327 321 G HA3 0.301 4.260 3.960 -0.001 0.000 0.327 321 G C -0.828 174.223 174.900 0.252 0.000 1.189 321 G CA -0.478 44.834 45.100 0.352 0.000 0.962 321 G HN 0.300 nan 8.290 nan 0.000 0.486 322 D N 1.271 121.850 120.400 0.299 0.000 2.845 322 D HA 0.183 4.822 4.640 -0.001 0.000 0.235 322 D C 0.735 177.116 176.300 0.135 0.000 1.158 322 D CA 0.175 54.294 54.000 0.199 0.000 0.990 322 D CB 0.232 41.163 40.800 0.219 0.000 1.094 322 D HN 0.380 nan 8.370 nan 0.000 0.486 323 T N -2.289 112.343 114.554 0.130 0.000 3.532 323 T HA 0.270 4.619 4.350 -0.001 0.000 0.241 323 T C 0.639 175.421 174.700 0.136 0.000 1.238 323 T CA -0.781 61.380 62.100 0.102 0.000 1.405 323 T CB 0.061 68.964 68.868 0.059 0.000 0.971 323 T HN 0.035 nan 8.240 nan 0.000 0.640 324 S N 0.967 116.786 115.700 0.199 0.000 2.661 324 S HA 0.554 5.023 4.470 -0.001 0.000 0.265 324 S C 0.402 175.146 174.600 0.241 0.000 1.225 324 S CA -0.680 57.664 58.200 0.239 0.000 0.986 324 S CB 0.432 63.797 63.200 0.276 0.000 1.008 324 S HN 0.416 nan 8.310 nan 0.000 0.565 325 S N 0.809 116.621 115.700 0.187 0.000 2.546 325 S HA 0.303 4.773 4.470 -0.001 0.000 0.290 325 S C 1.531 176.271 174.600 0.232 0.000 1.290 325 S CA -0.105 58.184 58.200 0.149 0.000 1.069 325 S CB 0.436 63.684 63.200 0.080 0.000 0.846 325 S HN 0.947 nan 8.310 nan 0.000 0.495 326 A N 3.428 126.396 122.820 0.247 0.000 1.972 326 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 326 A C 2.261 180.039 177.584 0.324 0.000 1.169 326 A CA 1.712 53.971 52.037 0.369 0.000 0.635 326 A CB -0.900 18.299 19.000 0.330 0.000 0.810 326 A HN 0.914 nan 8.150 nan 0.000 0.446 327 S N -0.256 115.547 115.700 0.172 0.000 2.474 327 S HA -0.122 4.347 4.470 -0.001 0.000 0.235 327 S C 1.715 176.303 174.600 -0.020 0.000 0.997 327 S CA 0.950 59.207 58.200 0.094 0.000 0.949 327 S CB -0.420 62.812 63.200 0.053 0.000 0.766 327 S HN 0.648 nan 8.310 nan 0.000 0.517 328 R N -0.577 119.847 120.500 -0.127 0.000 2.235 328 R HA 0.082 4.422 4.340 -0.001 0.000 0.213 328 R C 1.096 177.020 176.300 -0.626 0.000 1.059 328 R CA 1.258 57.117 56.100 -0.402 0.000 0.997 328 R CB -0.220 29.724 30.300 -0.592 0.000 0.884 328 R HN 0.602 nan 8.270 nan 0.000 0.462 329 Y N -2.353 117.768 120.300 -0.299 0.000 2.581 329 Y HA 0.142 4.691 4.550 -0.001 0.000 0.271 329 Y C 0.195 175.667 175.900 -0.713 0.000 1.100 329 Y CA -0.421 57.273 58.100 -0.677 0.000 1.281 329 Y CB 0.576 38.373 38.460 -1.105 0.000 1.237 329 Y HN -0.059 nan 8.280 nan 0.000 0.514 330 W N 0.208 121.600 121.300 0.152 0.000 2.739 330 W HA 0.421 5.080 4.660 -0.001 0.000 0.331 330 W C 0.810 177.355 176.519 0.045 0.000 1.049 330 W CA -0.778 56.625 57.345 0.097 0.000 1.234 330 W CB 1.229 30.758 29.460 0.115 0.000 1.404 330 W HN -0.338 nan 8.180 nan 0.000 0.477 331 E N 1.383 121.730 120.200 0.245 0.000 2.097 331 E HA -0.139 4.210 4.350 -0.001 0.000 0.196 331 E C 0.177 176.837 176.600 0.101 0.000 1.000 331 E CA 1.308 57.785 56.400 0.128 0.000 0.804 331 E CB 0.164 29.921 29.700 0.095 0.000 0.740 331 E HN 0.381 nan 8.360 nan 0.000 0.454 332 R N 0.138 120.720 120.500 0.136 0.000 2.535 332 R HA 0.159 4.498 4.340 -0.001 0.000 0.274 332 R C -1.386 174.910 176.300 -0.006 0.000 1.090 332 R CA -0.579 55.487 56.100 -0.057 0.000 0.930 332 R CB 1.185 31.261 30.300 -0.373 0.000 1.223 332 R HN -0.092 nan 8.270 nan 0.000 0.441 333 D N 2.573 122.937 120.400 -0.061 0.000 2.340 333 D HA 0.182 4.821 4.640 -0.001 0.000 0.251 333 D C 0.746 177.058 176.300 0.021 0.000 1.080 333 D CA -0.424 53.528 54.000 -0.081 0.000 0.971 333 D CB 1.427 42.215 40.800 -0.021 0.000 1.137 333 D HN 0.415 nan 8.370 nan 0.000 0.475 334 L N 0.216 121.450 121.223 0.017 0.000 2.628 334 L HA 0.339 4.679 4.340 -0.001 0.000 0.229 334 L C 0.594 177.508 176.870 0.073 0.000 1.137 334 L CA -0.128 54.800 54.840 0.147 0.000 0.909 334 L CB -1.201 40.867 42.059 0.016 0.000 1.137 334 L HN 0.269 nan 8.230 nan 0.000 0.470 335 I N -3.946 116.640 120.570 0.027 0.000 2.750 335 I HA 0.449 4.618 4.170 -0.001 0.000 0.308 335 I C 0.780 176.904 176.117 0.013 0.000 1.016 335 I CA -0.743 60.571 61.300 0.022 0.000 1.098 335 I CB 1.441 39.449 38.000 0.014 0.000 1.279 335 I HN -0.084 nan 8.210 nan 0.000 0.454 336 Q N 0.885 120.692 119.800 0.012 0.000 2.230 336 Q HA -0.004 4.335 4.340 -0.001 0.000 0.202 336 Q C -0.399 175.600 176.000 -0.003 0.000 0.963 336 Q CA 1.093 56.897 55.803 0.002 0.000 0.866 336 Q CB 0.012 28.754 28.738 0.007 0.000 0.931 336 Q HN 0.645 nan 8.270 nan 0.000 0.452 337 E N 1.603 121.805 120.200 0.005 0.000 2.216 337 E HA 0.197 4.546 4.350 -0.001 0.000 0.279 337 E C -2.397 174.212 176.600 0.014 0.000 0.997 337 E CA -2.240 54.164 56.400 0.007 0.000 0.817 337 E CB 0.795 30.500 29.700 0.009 0.000 1.096 337 E HN -0.006 nan 8.360 nan 0.000 0.393 338 P HA 0.203 nan 4.420 nan 0.000 0.290 338 P C -0.882 176.439 177.300 0.033 0.000 1.276 338 P CA -0.383 62.734 63.100 0.027 0.000 0.808 338 P CB 0.778 32.487 31.700 0.017 0.000 0.966 339 L N 3.569 124.826 121.223 0.057 0.000 2.335 339 L HA 0.374 4.713 4.340 -0.001 0.000 0.268 339 L C 0.380 177.287 176.870 0.063 0.000 1.037 339 L CA -0.188 54.685 54.840 0.055 0.000 0.895 339 L CB 0.632 42.736 42.059 0.074 0.000 1.266 339 L HN 0.202 nan 8.230 nan 0.000 0.439 340 E N 2.794 123.015 120.200 0.035 0.000 2.216 340 E HA 0.487 4.836 4.350 -0.001 0.000 0.260 340 E C -0.529 176.073 176.600 0.003 0.000 0.880 340 E CA -0.491 55.925 56.400 0.027 0.000 0.765 340 E CB 2.559 32.269 29.700 0.016 0.000 1.174 340 E HN 0.501 nan 8.360 nan 0.000 0.417 341 A N 2.560 125.381 122.820 0.001 0.000 2.388 341 A HA 0.478 4.797 4.320 -0.001 0.000 0.257 341 A C -0.096 177.443 177.584 -0.075 0.000 1.095 341 A CA -0.334 51.681 52.037 -0.036 0.000 0.791 341 A CB 0.608 19.587 19.000 -0.034 0.000 1.029 341 A HN 0.339 nan 8.150 nan 0.000 0.489 342 V N 2.432 122.294 119.914 -0.087 0.000 2.638 342 V HA 0.376 4.495 4.120 -0.001 0.000 0.306 342 V C 0.058 176.080 176.094 -0.119 0.000 1.052 342 V CA 0.227 62.469 62.300 -0.098 0.000 0.885 342 V CB 1.490 33.276 31.823 -0.062 0.000 0.999 342 V HN 1.146 nan 8.190 nan 0.000 0.424 343 D N 3.894 124.204 120.400 -0.152 0.000 2.811 343 D HA -0.184 4.455 4.640 -0.001 0.000 0.231 343 D C 1.195 177.397 176.300 -0.164 0.000 1.157 343 D CA 2.149 56.061 54.000 -0.145 0.000 0.716 343 D CB -1.051 39.698 40.800 -0.085 0.000 1.077 343 D HN 1.625 nan 8.370 nan 0.000 0.428 344 G N -1.414 107.233 108.800 -0.255 0.000 2.148 344 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.254 344 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.254 344 G C 0.224 175.073 174.900 -0.084 0.000 0.981 344 G CA 0.423 45.401 45.100 -0.203 0.000 0.670 344 G HN 0.578 nan 8.290 nan 0.000 0.528 345 L N -0.203 120.971 121.223 -0.081 0.000 2.325 345 L HA 0.704 5.043 4.340 -0.001 0.000 0.281 345 L C 0.150 176.994 176.870 -0.044 0.000 1.004 345 L CA -1.078 53.734 54.840 -0.047 0.000 0.823 345 L CB 1.802 43.835 42.059 -0.043 0.000 1.236 345 L HN 0.166 nan 8.230 nan 0.000 0.415 346 M N 7.378 126.960 119.600 -0.029 0.000 2.113 346 M HA 0.482 4.961 4.480 -0.001 0.000 0.352 346 M C -2.469 173.802 176.300 -0.048 0.000 1.170 346 M CA -2.142 53.142 55.300 -0.028 0.000 1.053 346 M CB 1.007 33.601 32.600 -0.010 0.000 1.601 346 M HN 0.103 nan 8.290 nan 0.000 0.459 347 P HA 0.115 nan 4.420 nan 0.000 0.274 347 P C -0.940 176.301 177.300 -0.097 0.000 1.231 347 P CA -0.353 62.709 63.100 -0.064 0.000 0.790 347 P CB 0.514 32.186 31.700 -0.047 0.000 0.951 348 V N 4.775 124.607 119.914 -0.137 0.000 2.508 348 V HA 0.131 4.251 4.120 -0.001 0.000 0.281 348 V C -1.692 174.309 176.094 -0.154 0.000 1.041 348 V CA -1.283 60.873 62.300 -0.239 0.000 1.016 348 V CB 0.106 31.745 31.823 -0.307 0.000 0.984 348 V HN 0.587 nan 8.190 nan 0.000 0.478 349 P HA 0.168 nan 4.420 nan 0.000 0.267 349 P C -0.747 176.569 177.300 0.026 0.000 1.205 349 P CA -0.352 62.740 63.100 -0.014 0.000 0.765 349 P CB 0.449 32.170 31.700 0.035 0.000 0.828 350 Q N 1.495 121.301 119.800 0.010 0.000 2.373 350 Q HA 0.595 4.934 4.340 -0.001 0.000 0.255 350 Q C 0.976 176.987 176.000 0.019 0.000 0.980 350 Q CA 0.397 56.208 55.803 0.014 0.000 0.882 350 Q CB 0.331 29.067 28.738 -0.002 0.000 1.249 350 Q HN 0.844 nan 8.270 nan 0.000 0.438 351 G N 0.863 109.670 108.800 0.012 0.000 2.371 351 G HA2 0.010 3.970 3.960 -0.001 0.000 0.663 351 G HA3 0.010 3.970 3.960 -0.001 0.000 0.663 351 G C -2.988 171.893 174.900 -0.032 0.000 1.311 351 G CA -1.099 43.994 45.100 -0.011 0.000 0.985 351 G HN 0.538 nan 8.290 nan 0.000 0.566 352 P HA 0.449 nan 4.420 nan 0.000 0.272 352 P C 1.339 178.552 177.300 -0.144 0.000 1.223 352 P CA 1.612 64.654 63.100 -0.096 0.000 0.784 352 P CB 0.843 32.491 31.700 -0.088 0.000 0.923 353 G N 2.537 111.221 108.800 -0.193 0.000 2.651 353 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.315 353 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.315 353 G C 1.145 175.748 174.900 -0.495 0.000 1.258 353 G CA 1.443 46.382 45.100 -0.269 0.000 1.002 353 G HN 0.708 nan 8.290 nan 0.000 0.551 354 T N -0.998 113.281 114.554 -0.458 0.000 2.995 354 T HA 0.347 4.696 4.350 -0.001 0.000 0.269 354 T C 2.666 177.250 174.700 -0.193 0.000 1.091 354 T CA 1.862 63.627 62.100 -0.557 0.000 1.128 354 T CB -0.301 68.300 68.868 -0.445 0.000 0.891 354 T HN 2.784 nan 8.240 nan 0.000 0.492 355 G N 0.745 109.472 108.800 -0.122 0.000 2.143 355 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.248 355 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.248 355 G C 0.169 175.069 174.900 0.000 0.000 0.991 355 G CA 0.488 45.582 45.100 -0.009 0.000 0.689 355 G HN 1.613 nan 8.290 nan 0.000 0.522 356 V N -3.702 116.198 119.914 -0.024 0.000 3.126 356 V HA 1.018 5.137 4.120 -0.001 0.000 0.314 356 V C -0.146 175.941 176.094 -0.012 0.000 1.138 356 V CA -0.205 62.090 62.300 -0.009 0.000 1.034 356 V CB 2.236 34.060 31.823 0.002 0.000 1.075 356 V HN 0.671 nan 8.190 nan 0.000 0.442 357 T N 2.737 117.291 114.554 0.001 0.000 2.928 357 T HA 0.533 4.882 4.350 -0.001 0.000 0.296 357 T C -0.451 174.259 174.700 0.017 0.000 1.000 357 T CA -0.423 61.681 62.100 0.007 0.000 0.989 357 T CB 1.248 70.121 68.868 0.008 0.000 1.005 357 T HN 0.791 nan 8.240 nan 0.000 0.442 358 L N 2.733 123.969 121.223 0.021 0.000 2.525 358 L HA 0.111 4.450 4.340 -0.001 0.000 0.278 358 L C 0.655 177.551 176.870 0.043 0.000 1.218 358 L CA -0.033 54.825 54.840 0.030 0.000 0.878 358 L CB 0.317 42.392 42.059 0.028 0.000 1.127 358 L HN 0.662 nan 8.230 nan 0.000 0.492 359 D N 3.574 124.014 120.400 0.066 0.000 2.441 359 D HA 0.058 4.698 4.640 -0.001 0.000 0.221 359 D C 1.055 177.409 176.300 0.090 0.000 1.156 359 D CA -0.342 53.711 54.000 0.088 0.000 0.896 359 D CB 0.700 41.578 40.800 0.131 0.000 1.028 359 D HN 0.291 nan 8.370 nan 0.000 0.509 360 R N 2.595 123.131 120.500 0.060 0.000 2.096 360 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 360 R C 1.632 177.957 176.300 0.042 0.000 1.127 360 R CA 0.778 56.903 56.100 0.041 0.000 0.968 360 R CB -0.185 30.137 30.300 0.036 0.000 0.861 360 R HN 0.610 nan 8.270 nan 0.000 0.440 361 E N -0.316 119.923 120.200 0.065 0.000 2.031 361 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 361 E C 1.778 178.443 176.600 0.107 0.000 0.994 361 E CA 1.140 57.584 56.400 0.073 0.000 0.800 361 E CB -0.259 29.489 29.700 0.080 0.000 0.752 361 E HN 0.167 nan 8.360 nan 0.000 0.447 362 F N 1.607 121.554 119.950 -0.005 0.000 2.146 362 F HA -0.170 4.357 4.527 -0.002 0.000 0.298 362 F C 2.170 177.961 175.800 -0.014 0.000 1.096 362 F CA 0.761 58.757 58.000 -0.008 0.000 1.275 362 F CB -0.370 38.622 39.000 -0.013 0.000 1.008 362 F HN -0.016 nan 8.300 nan 0.000 0.480 363 L N 1.195 122.339 121.223 -0.131 0.000 2.012 363 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 363 L C 2.484 179.221 176.870 -0.221 0.000 1.073 363 L CA 2.261 56.962 54.840 -0.232 0.000 0.748 363 L CB -1.560 40.452 42.059 -0.079 0.000 0.891 363 L HN 0.169 nan 8.230 nan 0.000 0.431 364 A N -1.270 121.479 122.820 -0.119 0.000 1.986 364 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 364 A C 2.300 179.815 177.584 -0.114 0.000 1.171 364 A CA 2.401 54.385 52.037 -0.088 0.000 0.640 364 A CB -1.416 17.561 19.000 -0.038 0.000 0.811 364 A HN 0.668 nan 8.150 nan 0.000 0.451 365 T N -2.526 111.935 114.554 -0.155 0.000 3.118 365 T HA 0.097 4.446 4.350 -0.001 0.000 0.260 365 T C 0.944 175.528 174.700 -0.193 0.000 1.139 365 T CA 1.237 63.254 62.100 -0.137 0.000 1.085 365 T CB -0.329 68.491 68.868 -0.080 0.000 0.934 365 T HN 0.911 nan 8.240 nan 0.000 0.518 366 V N -2.430 117.309 119.914 -0.292 0.000 3.159 366 V HA 0.427 4.546 4.120 -0.001 0.000 0.333 366 V C 0.163 176.158 176.094 -0.165 0.000 1.424 366 V CA -0.679 61.479 62.300 -0.236 0.000 1.125 366 V CB -0.400 31.210 31.823 -0.354 0.000 1.075 366 V HN 0.183 nan 8.190 nan 0.000 0.482 367 T N 1.590 116.061 114.554 -0.137 0.000 2.729 367 T HA 0.268 4.617 4.350 -0.001 0.000 0.296 367 T C 0.968 175.627 174.700 -0.070 0.000 0.928 367 T CA 0.289 62.333 62.100 -0.095 0.000 1.045 367 T CB 1.476 70.296 68.868 -0.079 0.000 0.902 367 T HN 0.538 nan 8.240 nan 0.000 0.500 368 E N 1.871 122.036 120.200 -0.059 0.000 2.112 368 E HA 0.208 4.557 4.350 -0.001 0.000 0.190 368 E C 0.644 177.222 176.600 -0.036 0.000 0.979 368 E CA 0.223 56.594 56.400 -0.048 0.000 0.814 368 E CB 0.313 29.987 29.700 -0.043 0.000 0.762 368 E HN 0.726 nan 8.360 nan 0.000 0.460 369 A N 0.702 123.504 122.820 -0.031 0.000 2.605 369 A HA 0.429 4.748 4.320 -0.001 0.000 0.294 369 A C -1.585 175.990 177.584 -0.015 0.000 1.062 369 A CA -0.849 51.176 52.037 -0.021 0.000 0.682 369 A CB 1.501 20.492 19.000 -0.015 0.000 1.278 369 A HN 0.085 nan 8.150 nan 0.000 0.410 370 Q N 0.504 120.298 119.800 -0.010 0.000 2.522 370 Q HA 0.746 5.085 4.340 -0.001 0.000 0.285 370 Q C -1.439 174.557 176.000 -0.006 0.000 0.982 370 Q CA -0.806 54.996 55.803 -0.001 0.000 0.805 370 Q CB 2.104 30.839 28.738 -0.005 0.000 1.457 370 Q HN 0.928 nan 8.270 nan 0.000 0.394 371 E N 0.434 120.634 120.200 0.001 0.000 2.390 371 E HA 0.467 4.816 4.350 -0.001 0.000 0.280 371 E C -1.559 175.006 176.600 -0.057 0.000 0.992 371 E CA -0.910 55.459 56.400 -0.052 0.000 0.790 371 E CB 2.527 32.202 29.700 -0.041 0.000 1.248 371 E HN 0.631 nan 8.360 nan 0.000 0.447 372 E N 1.168 121.270 120.200 -0.164 0.000 2.212 372 E HA 0.375 4.724 4.350 -0.001 0.000 0.268 372 E C -1.497 174.914 176.600 -0.315 0.000 0.902 372 E CA -0.721 55.615 56.400 -0.107 0.000 0.779 372 E CB 1.351 31.023 29.700 -0.047 0.000 1.172 372 E HN 0.531 nan 8.360 nan 0.000 0.409 373 H N 1.831 120.930 119.070 0.048 0.000 2.637 373 H HA 0.529 5.084 4.556 -0.001 0.000 0.363 373 H C -0.434 174.926 175.328 0.054 0.000 1.131 373 H CA -0.656 55.419 56.048 0.044 0.000 1.183 373 H CB 1.541 31.329 29.762 0.044 0.000 1.637 373 H HN 0.327 nan 8.280 nan 0.000 0.531 374 R N 0.944 121.531 120.500 0.146 0.000 2.922 374 R HA 0.766 5.106 4.340 -0.001 0.000 0.256 374 R C -0.380 175.980 176.300 0.098 0.000 1.138 374 R CA -1.245 54.917 56.100 0.103 0.000 0.995 374 R CB 1.522 31.857 30.300 0.057 0.000 1.226 374 R HN 0.642 nan 8.270 nan 0.000 0.481 375 A N 0.000 122.865 122.820 0.075 0.000 2.254 375 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 375 A CA 0.000 52.074 52.037 0.062 0.000 0.836 375 A CB 0.000 19.026 19.000 0.044 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486