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 1r0m_1_A 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 0.000 176.490 176.300 0.317 0.000 0.893 6 R CA 0.000 56.230 56.100 0.216 0.000 0.921 6 R CB 0.000 30.375 30.300 0.124 0.000 0.687 7 M N 1.323 121.033 119.600 0.184 0.000 2.227 7 M HA 0.412 4.892 4.480 0.001 0.000 0.316 7 M C -0.553 175.882 176.300 0.224 0.000 1.144 7 M CA -0.163 55.208 55.300 0.118 0.000 1.121 7 M CB 0.368 32.931 32.600 -0.062 0.000 1.440 7 M HN 0.497 nan 8.290 nan 0.000 0.473 8 F N -0.556 119.472 119.950 0.130 0.000 2.520 8 F HA 0.670 5.198 4.527 0.001 0.000 0.322 8 F C -0.730 175.148 175.800 0.131 0.000 1.103 8 F CA -1.179 56.909 58.000 0.147 0.000 0.926 8 F CB 0.953 40.076 39.000 0.206 0.000 1.154 8 F HN 0.402 nan 8.300 nan 0.000 0.453 9 K N 4.638 125.169 120.400 0.218 0.000 2.211 9 K HA 0.541 4.862 4.320 0.001 0.000 0.275 9 K C -1.010 175.743 176.600 0.255 0.000 1.024 9 K CA -0.594 55.776 56.287 0.139 0.000 0.887 9 K CB 0.980 33.522 32.500 0.069 0.000 1.084 9 K HN 0.880 nan 8.250 nan 0.000 0.463 10 I N 5.300 126.040 120.570 0.283 0.000 2.308 10 I HA 0.041 4.212 4.170 0.001 0.000 0.293 10 I C 0.774 177.008 176.117 0.194 0.000 1.078 10 I CA 0.024 61.491 61.300 0.278 0.000 1.292 10 I CB 1.054 39.238 38.000 0.306 0.000 1.423 10 I HN 0.769 nan 8.210 nan 0.000 0.493 11 E N 4.937 125.244 120.200 0.179 0.000 2.276 11 E HA 0.296 4.647 4.350 0.001 0.000 0.193 11 E C 0.425 177.107 176.600 0.136 0.000 0.983 11 E CA 0.074 56.556 56.400 0.135 0.000 0.861 11 E CB 0.531 30.300 29.700 0.115 0.000 0.817 11 E HN 0.704 nan 8.360 nan 0.000 0.485 12 A N 0.682 123.614 122.820 0.186 0.000 2.612 12 A HA 0.769 5.090 4.320 0.001 0.000 0.293 12 A C -1.689 176.058 177.584 0.271 0.000 1.075 12 A CA -0.313 51.842 52.037 0.196 0.000 0.680 12 A CB 1.721 20.796 19.000 0.125 0.000 1.279 12 A HN 0.089 nan 8.150 nan 0.000 0.411 13 A N 0.579 123.552 122.820 0.255 0.000 2.449 13 A HA 0.792 5.113 4.320 0.001 0.000 0.302 13 A C -0.955 176.776 177.584 0.245 0.000 1.048 13 A CA -0.425 51.751 52.037 0.233 0.000 0.708 13 A CB 1.233 20.334 19.000 0.168 0.000 1.274 13 A HN 0.747 nan 8.150 nan 0.000 0.410 14 E N 0.953 121.275 120.200 0.202 0.000 2.238 14 E HA 0.584 4.935 4.350 0.001 0.000 0.267 14 E C -1.322 175.354 176.600 0.127 0.000 0.887 14 E CA -0.472 56.028 56.400 0.165 0.000 0.769 14 E CB 2.481 32.275 29.700 0.156 0.000 1.187 14 E HN 0.559 nan 8.360 nan 0.000 0.416 15 I N 2.602 123.248 120.570 0.127 0.000 2.362 15 I HA 0.296 4.467 4.170 0.001 0.000 0.289 15 I C -0.895 175.253 176.117 0.052 0.000 0.994 15 I CA -0.919 60.431 61.300 0.084 0.000 1.158 15 I CB 1.506 39.563 38.000 0.095 0.000 1.315 15 I HN 0.169 nan 8.210 nan 0.000 0.451 16 V N 7.208 127.139 119.914 0.029 0.000 2.444 16 V HA 0.374 4.494 4.120 0.001 0.000 0.294 16 V C -0.173 175.917 176.094 -0.006 0.000 1.022 16 V CA -0.722 61.582 62.300 0.007 0.000 0.850 16 V CB 2.059 33.881 31.823 -0.002 0.000 0.992 16 V HN 0.370 nan 8.190 nan 0.000 0.426 17 V N 4.402 124.308 119.914 -0.013 0.000 2.328 17 V HA 0.762 4.882 4.120 0.001 0.000 0.278 17 V C 0.516 176.588 176.094 -0.036 0.000 1.021 17 V CA -0.357 61.932 62.300 -0.018 0.000 0.838 17 V CB 1.376 33.193 31.823 -0.010 0.000 0.999 17 V HN 0.984 nan 8.190 nan 0.000 0.447 18 A N 5.145 127.937 122.820 -0.046 0.000 2.306 18 A HA 0.817 5.138 4.320 0.001 0.000 0.330 18 A C 0.032 177.594 177.584 -0.036 0.000 1.146 18 A CA -0.778 51.217 52.037 -0.069 0.000 0.827 18 A CB 0.878 19.812 19.000 -0.111 0.000 1.178 18 A HN 0.792 nan 8.150 nan 0.000 0.490 19 R N 1.987 122.471 120.500 -0.027 0.000 2.312 19 R HA 0.443 4.784 4.340 0.001 0.000 0.310 19 R C -1.711 174.675 176.300 0.143 0.000 1.064 19 R CA -0.513 55.614 56.100 0.045 0.000 0.983 19 R CB 0.422 30.706 30.300 -0.027 0.000 1.139 19 R HN 0.592 nan 8.270 nan 0.000 0.536 20 L N 6.600 127.918 121.223 0.158 0.000 2.264 20 L HA 0.509 4.849 4.340 0.001 0.000 0.289 20 L C -2.386 174.669 176.870 0.308 0.000 1.044 20 L CA -2.356 52.558 54.840 0.123 0.000 0.807 20 L CB 1.296 43.235 42.059 -0.201 0.000 1.192 20 L HN 0.471 nan 8.230 nan 0.000 0.425 21 P HA 0.106 nan 4.420 nan 0.000 0.267 21 P C -0.463 176.985 177.300 0.247 0.000 1.209 21 P CA 0.141 63.223 63.100 -0.031 0.000 0.763 21 P CB 0.458 32.158 31.700 0.000 0.000 0.816 22 L N 2.587 123.872 121.223 0.102 0.000 2.479 22 L HA 0.345 4.685 4.340 0.001 0.000 0.249 22 L C 1.212 178.092 176.870 0.016 0.000 1.178 22 L CA -0.438 54.448 54.840 0.076 0.000 0.811 22 L CB 0.259 42.283 42.059 -0.059 0.000 1.187 22 L HN 0.310 nan 8.230 nan 0.000 0.480 35 H N 0.844 119.977 119.070 0.104 0.000 2.670 35 H HA 0.745 5.301 4.556 0.000 0.000 0.361 35 H C -0.993 174.434 175.328 0.165 0.000 1.169 35 H CA -0.747 55.391 56.048 0.151 0.000 1.198 35 H CB 2.367 32.193 29.762 0.107 0.000 1.700 35 H HN 0.274 nan 8.280 nan 0.000 0.542 36 K N 1.508 122.123 120.400 0.358 0.000 2.324 36 K HA 0.326 4.646 4.320 0.001 0.000 0.253 36 K C -1.116 175.611 176.600 0.212 0.000 0.932 36 K CA -0.696 55.762 56.287 0.285 0.000 0.799 36 K CB 1.958 34.692 32.500 0.391 0.000 1.154 36 K HN 0.247 nan 8.250 nan 0.000 0.425 37 V N 3.968 123.963 119.914 0.134 0.000 2.508 37 V HA 0.147 4.267 4.120 0.001 0.000 0.281 37 V C -0.345 175.786 176.094 0.062 0.000 1.041 37 V CA -0.466 61.880 62.300 0.076 0.000 1.016 37 V CB 1.201 33.053 31.823 0.048 0.000 0.984 37 V HN 0.460 nan 8.190 nan 0.000 0.478 38 V N 8.169 128.097 119.914 0.022 0.000 2.325 38 V HA 0.343 4.464 4.120 0.001 0.000 0.280 38 V C -2.421 173.666 176.094 -0.011 0.000 1.016 38 V CA -1.731 60.567 62.300 -0.003 0.000 0.818 38 V CB 1.680 33.462 31.823 -0.069 0.000 1.019 38 V HN 0.758 nan 8.190 nan 0.000 0.434 39 P HA 0.463 nan 4.420 nan 0.000 0.287 39 P C -0.883 176.421 177.300 0.006 0.000 1.281 39 P CA -0.165 62.937 63.100 0.004 0.000 0.781 39 P CB 0.984 32.689 31.700 0.009 0.000 0.903 40 L N 3.557 124.783 121.223 0.005 0.000 2.346 40 L HA 0.576 4.916 4.340 0.001 0.000 0.274 40 L C -0.217 176.667 176.870 0.023 0.000 1.007 40 L CA -1.159 53.688 54.840 0.012 0.000 0.818 40 L CB 1.901 43.960 42.059 -0.001 0.000 1.284 40 L HN 0.211 nan 8.230 nan 0.000 0.424 41 L N 4.088 125.329 121.223 0.029 0.000 2.313 41 L HA 0.618 4.958 4.340 0.001 0.000 0.283 41 L C -0.847 176.032 176.870 0.015 0.000 1.013 41 L CA 0.018 54.877 54.840 0.032 0.000 0.816 41 L CB 1.429 43.509 42.059 0.035 0.000 1.236 41 L HN 0.379 nan 8.230 nan 0.000 0.419 42 I N 6.160 126.729 120.570 -0.001 0.000 2.389 42 I HA 0.381 4.551 4.170 0.001 0.000 0.288 42 I C -0.795 175.240 176.117 -0.138 0.000 0.999 42 I CA -0.516 60.730 61.300 -0.090 0.000 1.129 42 I CB 1.522 39.460 38.000 -0.103 0.000 1.288 42 I HN 0.435 nan 8.210 nan 0.000 0.444 43 L N 5.863 126.981 121.223 -0.175 0.000 2.317 43 L HA 0.523 4.864 4.340 0.001 0.000 0.281 43 L C -0.457 176.267 176.870 -0.243 0.000 1.024 43 L CA -0.703 54.071 54.840 -0.111 0.000 0.810 43 L CB 1.185 43.236 42.059 -0.013 0.000 1.240 43 L HN 0.517 nan 8.230 nan 0.000 0.427 44 H N 1.914 121.029 119.070 0.076 0.000 2.489 44 H HA 0.720 5.276 4.556 0.000 0.000 0.343 44 H C -0.187 175.198 175.328 0.096 0.000 1.086 44 H CA -0.531 55.559 56.048 0.070 0.000 1.198 44 H CB 2.313 32.111 29.762 0.061 0.000 1.490 44 H HN 0.783 nan 8.280 nan 0.000 0.504 45 G N 1.138 110.058 108.800 0.199 0.000 2.616 45 G HA2 0.215 4.175 3.960 0.001 0.000 0.294 45 G HA3 0.215 4.175 3.960 0.001 0.000 0.294 45 G C -0.780 174.209 174.900 0.149 0.000 1.489 45 G CA -0.839 44.374 45.100 0.189 0.000 0.836 45 G HN 0.441 nan 8.290 nan 0.000 0.527 46 E N -0.814 119.470 120.200 0.140 0.000 2.586 46 E HA -0.266 4.084 4.350 0.001 0.000 0.259 46 E C 1.470 178.118 176.600 0.079 0.000 1.107 46 E CA 2.037 58.505 56.400 0.113 0.000 0.754 46 E CB -1.585 28.199 29.700 0.140 0.000 1.335 46 E HN 2.577 nan 8.360 nan 0.000 0.411 47 G N -1.821 107.027 108.800 0.080 0.000 2.184 47 G HA2 -0.345 3.615 3.960 0.001 0.000 0.264 47 G HA3 -0.345 3.615 3.960 0.001 0.000 0.264 47 G C 0.490 175.427 174.900 0.062 0.000 0.975 47 G CA 1.170 46.308 45.100 0.064 0.000 0.642 47 G HN 1.053 nan 8.290 nan 0.000 0.536 48 V N -2.995 116.959 119.914 0.066 0.000 3.164 48 V HA 0.980 5.101 4.120 0.001 0.000 0.313 48 V C -0.397 175.725 176.094 0.046 0.000 1.188 48 V CA -0.254 62.070 62.300 0.040 0.000 1.058 48 V CB 1.807 33.628 31.823 -0.005 0.000 1.110 48 V HN 1.102 nan 8.190 nan 0.000 0.453 49 Q N 0.459 120.254 119.800 -0.008 0.000 2.389 49 Q HA 0.801 5.142 4.340 0.001 0.000 0.277 49 Q C -0.633 175.314 176.000 -0.088 0.000 1.082 49 Q CA -0.597 55.150 55.803 -0.094 0.000 0.810 49 Q CB 2.272 30.920 28.738 -0.150 0.000 1.374 49 Q HN 1.301 nan 8.270 nan 0.000 0.422 50 G N 0.909 109.646 108.800 -0.105 0.000 2.452 50 G HA2 0.607 4.568 3.960 0.001 0.000 0.324 50 G HA3 0.607 4.568 3.960 0.001 0.000 0.324 50 G C -1.166 173.717 174.900 -0.029 0.000 1.214 50 G CA -0.691 44.386 45.100 -0.039 0.000 0.947 50 G HN 0.435 nan 8.290 nan 0.000 0.478 51 V N 0.510 120.446 119.914 0.036 0.000 2.656 51 V HA 0.874 4.995 4.120 0.001 0.000 0.307 51 V C 0.181 176.387 176.094 0.188 0.000 1.051 51 V CA -0.630 61.701 62.300 0.052 0.000 0.893 51 V CB 1.279 33.107 31.823 0.007 0.000 0.999 51 V HN 1.241 nan 8.190 nan 0.000 0.426 52 A N 3.045 125.956 122.820 0.150 0.000 2.527 52 A HA 0.899 5.220 4.320 0.001 0.000 0.293 52 A C -0.998 176.649 177.584 0.105 0.000 1.117 52 A CA -0.651 51.505 52.037 0.199 0.000 0.723 52 A CB 2.006 21.062 19.000 0.093 0.000 1.313 52 A HN 0.857 nan 8.150 nan 0.000 0.411 53 E N 0.734 120.999 120.200 0.108 0.000 2.199 53 E HA 0.531 4.881 4.350 0.001 0.000 0.265 53 E C 0.111 176.734 176.600 0.037 0.000 0.882 53 E CA -0.634 55.801 56.400 0.058 0.000 0.759 53 E CB 1.532 31.266 29.700 0.057 0.000 1.148 53 E HN 0.950 nan 8.360 nan 0.000 0.412 54 G N 1.646 110.462 108.800 0.025 0.000 2.432 54 G HA2 0.176 4.137 3.960 0.001 0.000 0.257 54 G HA3 0.176 4.137 3.960 0.001 0.000 0.257 54 G C 0.637 175.546 174.900 0.014 0.000 1.238 54 G CA 0.004 45.115 45.100 0.018 0.000 0.838 54 G HN 0.608 nan 8.290 nan 0.000 0.547 55 T N 0.308 114.866 114.554 0.006 0.000 3.092 55 T HA 0.213 4.564 4.350 0.001 0.000 0.258 55 T C 1.066 175.768 174.700 0.004 0.000 1.031 55 T CA -0.436 61.659 62.100 -0.008 0.000 0.925 55 T CB -0.099 68.745 68.868 -0.040 0.000 1.036 55 T HN 0.511 nan 8.240 nan 0.000 0.544 56 M N 0.866 120.478 119.600 0.019 0.000 2.255 56 M HA 0.580 5.060 4.480 0.001 0.000 0.336 56 M C -0.510 175.803 176.300 0.021 0.000 1.135 56 M CA -0.163 55.153 55.300 0.026 0.000 1.145 56 M CB 0.477 33.090 32.600 0.021 0.000 1.473 56 M HN 0.037 nan 8.290 nan 0.000 0.462 57 E N 1.042 121.255 120.200 0.023 0.000 2.259 57 E HA 0.624 4.974 4.350 0.001 0.000 0.257 57 E C 0.844 177.452 176.600 0.013 0.000 0.998 57 E CA -0.490 55.922 56.400 0.022 0.000 0.866 57 E CB 1.519 31.234 29.700 0.025 0.000 1.220 57 E HN 0.817 nan 8.360 nan 0.000 0.415 58 A N 1.075 123.904 122.820 0.014 0.000 1.933 58 A HA -0.104 4.216 4.320 0.001 0.000 0.218 58 A C 0.859 178.444 177.584 0.001 0.000 1.175 58 A CA 1.321 53.362 52.037 0.007 0.000 0.628 58 A CB -0.045 18.962 19.000 0.011 0.000 0.814 58 A HN 0.388 nan 8.150 nan 0.000 0.444 59 R N -0.888 119.612 120.500 -0.000 0.000 2.803 59 R HA 0.411 4.752 4.340 0.001 0.000 0.276 59 R C -2.929 173.359 176.300 -0.020 0.000 0.978 59 R CA -2.173 53.921 56.100 -0.009 0.000 0.939 59 R CB 1.356 31.652 30.300 -0.007 0.000 1.179 59 R HN 0.009 nan 8.270 nan 0.000 0.472 60 P HA 0.144 nan 4.420 nan 0.000 0.247 60 P C -0.408 176.825 177.300 -0.111 0.000 1.756 60 P CA 0.165 63.220 63.100 -0.075 0.000 1.117 60 P CB 0.485 32.136 31.700 -0.082 0.000 1.869 61 M N 1.022 120.574 119.600 -0.080 0.000 2.738 61 M HA 0.029 4.509 4.480 0.001 0.000 0.256 61 M C 1.843 178.072 176.300 -0.117 0.000 1.253 61 M CA 0.901 56.154 55.300 -0.078 0.000 1.223 61 M CB -0.301 32.291 32.600 -0.013 0.000 1.263 61 M HN 0.092 nan 8.290 nan 0.000 0.521 62 Y N 0.833 121.034 120.300 -0.166 0.000 2.243 62 Y HA 0.160 4.710 4.550 0.001 0.000 0.293 62 Y C 1.346 177.056 175.900 -0.317 0.000 1.124 62 Y CA 1.171 59.163 58.100 -0.180 0.000 1.159 62 Y CB 0.419 38.818 38.460 -0.101 0.000 1.008 62 Y HN -0.029 nan 8.280 nan 0.000 0.527 63 R N -0.941 119.293 120.500 -0.444 0.000 3.142 63 R HA 0.102 4.443 4.340 0.001 0.000 0.260 63 R C 0.945 177.025 176.300 -0.367 0.000 1.129 63 R CA 0.161 55.877 56.100 -0.639 0.000 0.976 63 R CB 0.528 30.539 30.300 -0.481 0.000 1.396 63 R HN 0.107 nan 8.270 nan 0.000 0.434 64 E N 0.861 120.907 120.200 -0.257 0.000 2.385 64 E HA 0.039 4.390 4.350 0.001 0.000 0.194 64 E C -0.600 175.969 176.600 -0.052 0.000 1.013 64 E CA 0.756 57.078 56.400 -0.130 0.000 0.866 64 E CB 0.337 30.023 29.700 -0.023 0.000 0.832 64 E HN 0.429 nan 8.360 nan 0.000 0.500 65 E N 1.200 121.382 120.200 -0.030 0.000 2.349 65 E HA 0.292 4.642 4.350 0.001 0.000 0.262 65 E C -0.223 176.370 176.600 -0.010 0.000 1.088 65 E CA -0.023 56.373 56.400 -0.007 0.000 0.899 65 E CB 1.194 30.903 29.700 0.014 0.000 1.044 65 E HN 0.263 nan 8.360 nan 0.000 0.420 66 T N -1.999 112.549 114.554 -0.011 0.000 2.906 66 T HA 0.383 4.733 4.350 0.001 0.000 0.295 66 T C 1.003 175.696 174.700 -0.011 0.000 1.075 66 T CA -0.769 61.325 62.100 -0.010 0.000 1.005 66 T CB 0.709 69.569 68.868 -0.014 0.000 1.136 66 T HN 0.384 nan 8.240 nan 0.000 0.498 67 I N 1.116 121.682 120.570 -0.006 0.000 2.208 67 I HA -0.124 4.046 4.170 0.001 0.000 0.245 67 I C 3.015 179.121 176.117 -0.019 0.000 1.097 67 I CA 1.789 63.084 61.300 -0.008 0.000 1.363 67 I CB -0.688 37.311 38.000 -0.001 0.000 1.051 67 I HN 0.899 nan 8.210 nan 0.000 0.413 68 A N 0.924 123.732 122.820 -0.020 0.000 1.877 68 A HA -0.148 4.172 4.320 0.001 0.000 0.216 68 A C 2.447 180.006 177.584 -0.043 0.000 1.186 68 A CA 2.014 54.035 52.037 -0.027 0.000 0.620 68 A CB -1.481 17.506 19.000 -0.022 0.000 0.822 68 A HN 0.466 nan 8.150 nan 0.000 0.443 69 G N -0.639 108.136 108.800 -0.043 0.000 2.421 69 G HA2 0.005 3.965 3.960 0.001 0.000 0.216 69 G HA3 0.005 3.965 3.960 0.001 0.000 0.216 69 G C 1.763 176.607 174.900 -0.092 0.000 1.171 69 G CA 1.541 46.604 45.100 -0.062 0.000 0.775 69 G HN 0.814 nan 8.290 nan 0.000 0.543 70 A N 0.464 123.242 122.820 -0.070 0.000 1.898 70 A HA 0.149 4.469 4.320 0.001 0.000 0.216 70 A C 2.434 179.954 177.584 -0.106 0.000 1.181 70 A CA 1.197 53.185 52.037 -0.082 0.000 0.620 70 A CB -0.375 18.607 19.000 -0.030 0.000 0.819 70 A HN 0.342 nan 8.150 nan 0.000 0.442 71 L N -0.724 120.455 121.223 -0.073 0.000 2.156 71 L HA -0.149 4.192 4.340 0.001 0.000 0.208 71 L C 2.330 179.139 176.870 -0.103 0.000 1.095 71 L CA 1.694 56.493 54.840 -0.068 0.000 0.770 71 L CB -0.609 41.431 42.059 -0.031 0.000 0.914 71 L HN 0.510 nan 8.230 nan 0.000 0.439 72 D N 0.382 120.716 120.400 -0.110 0.000 2.144 72 D HA -0.227 4.414 4.640 0.001 0.000 0.199 72 D C 2.121 178.292 176.300 -0.216 0.000 0.984 72 D CA 0.823 54.746 54.000 -0.128 0.000 0.834 72 D CB 0.140 40.878 40.800 -0.103 0.000 0.955 72 D HN 0.079 nan 8.370 nan 0.000 0.465 73 L N 0.206 121.250 121.223 -0.298 0.000 2.046 73 L HA -0.030 4.310 4.340 0.001 0.000 0.208 73 L C 2.075 178.568 176.870 -0.628 0.000 1.077 73 L CA 1.401 55.914 54.840 -0.544 0.000 0.747 73 L CB -0.528 41.136 42.059 -0.658 0.000 0.896 73 L HN 0.220 nan 8.230 nan 0.000 0.432 74 L N -0.370 120.620 121.223 -0.388 0.000 1.976 74 L HA -0.231 4.109 4.340 0.001 0.000 0.209 74 L C 2.837 179.573 176.870 -0.224 0.000 1.071 74 L CA 2.050 56.761 54.840 -0.216 0.000 0.746 74 L CB -0.651 41.350 42.059 -0.097 0.000 0.890 74 L HN 0.397 nan 8.230 nan 0.000 0.432 75 R N -0.050 120.306 120.500 -0.240 0.000 2.115 75 R HA -0.030 4.310 4.340 0.001 0.000 0.226 75 R C 1.975 178.142 176.300 -0.221 0.000 1.100 75 R CA 1.301 57.206 56.100 -0.324 0.000 0.980 75 R CB -0.656 29.515 30.300 -0.215 0.000 0.875 75 R HN 0.265 nan 8.270 nan 0.000 0.445 76 G N -0.753 107.935 108.800 -0.187 0.000 2.744 76 G HA2 0.026 3.986 3.960 0.001 0.000 0.211 76 G HA3 0.026 3.986 3.960 0.001 0.000 0.211 76 G C 0.696 175.505 174.900 -0.152 0.000 1.146 76 G CA 0.654 45.669 45.100 -0.142 0.000 0.787 76 G HN 0.357 nan 8.290 nan 0.000 0.534 77 T N -0.545 113.879 114.554 -0.217 0.000 3.467 77 T HA 0.180 4.530 4.350 0.001 0.000 0.258 77 T C 1.624 176.332 174.700 0.013 0.000 0.999 77 T CA -0.219 61.761 62.100 -0.199 0.000 1.148 77 T CB -0.056 68.505 68.868 -0.512 0.000 1.186 77 T HN -0.028 nan 8.240 nan 0.000 0.401 78 F N 2.100 121.950 119.950 -0.166 0.000 2.163 78 F HA 0.267 4.794 4.527 0.000 0.000 0.297 78 F C 2.170 177.931 175.800 -0.066 0.000 1.094 78 F CA 0.262 58.200 58.000 -0.104 0.000 1.290 78 F CB -1.219 37.719 39.000 -0.103 0.000 1.017 78 F HN 0.078 nan 8.300 nan 0.000 0.483 79 L N -0.291 120.988 121.223 0.094 0.000 2.027 79 L HA -0.133 4.207 4.340 0.001 0.000 0.206 79 L C -0.286 176.610 176.870 0.044 0.000 1.074 79 L CA 1.246 56.103 54.840 0.028 0.000 0.745 79 L CB -2.081 39.920 42.059 -0.098 0.000 0.898 79 L HN 0.034 nan 8.230 nan 0.000 0.433 80 P HA -0.192 nan 4.420 nan 0.000 0.217 80 P C 1.374 178.724 177.300 0.083 0.000 1.148 80 P CA 1.744 64.874 63.100 0.050 0.000 0.828 80 P CB -0.005 31.713 31.700 0.031 0.000 0.783 81 A N -0.467 122.419 122.820 0.110 0.000 2.014 81 A HA -0.109 4.211 4.320 0.001 0.000 0.218 81 A C 2.028 179.708 177.584 0.160 0.000 1.163 81 A CA 1.482 53.600 52.037 0.135 0.000 0.652 81 A CB -1.276 17.825 19.000 0.168 0.000 0.808 81 A HN 0.371 nan 8.150 nan 0.000 0.449 82 I N -4.169 116.500 120.570 0.165 0.000 3.939 82 I HA 0.335 4.506 4.170 0.001 0.000 0.313 82 I C 0.087 176.350 176.117 0.243 0.000 1.274 82 I CA -0.261 61.200 61.300 0.267 0.000 1.301 82 I CB -0.003 38.079 38.000 0.138 0.000 1.105 82 I HN -0.051 nan 8.210 nan 0.000 0.427 83 L N 3.469 124.784 121.223 0.153 0.000 2.462 83 L HA 0.332 4.673 4.340 0.001 0.000 0.272 83 L C 1.363 178.292 176.870 0.099 0.000 1.166 83 L CA 1.081 56.001 54.840 0.133 0.000 0.880 83 L CB 0.695 42.822 42.059 0.114 0.000 1.142 83 L HN 0.590 nan 8.230 nan 0.000 0.473 84 G N 1.588 110.442 108.800 0.090 0.000 2.199 84 G HA2 -0.204 3.756 3.960 0.001 0.000 0.254 84 G HA3 -0.204 3.756 3.960 0.001 0.000 0.254 84 G C 0.274 175.164 174.900 -0.018 0.000 0.982 84 G CA -0.398 44.725 45.100 0.040 0.000 0.632 84 G HN 0.504 nan 8.290 nan 0.000 0.529 85 Q N 0.489 120.271 119.800 -0.030 0.000 2.214 85 Q HA 0.634 4.975 4.340 0.001 0.000 0.251 85 Q C -0.261 175.473 176.000 -0.443 0.000 0.936 85 Q CA 0.049 55.690 55.803 -0.271 0.000 0.894 85 Q CB 1.522 30.043 28.738 -0.362 0.000 1.252 85 Q HN 0.216 nan 8.270 nan 0.000 0.448 86 T N 1.963 116.105 114.554 -0.687 0.000 2.823 86 T HA 0.682 5.033 4.350 0.001 0.000 0.279 86 T C -0.792 173.318 174.700 -0.983 0.000 0.998 86 T CA -0.271 61.469 62.100 -0.600 0.000 0.994 86 T CB 0.301 68.975 68.868 -0.324 0.000 0.960 86 T HN 0.247 nan 8.240 nan 0.000 0.448 87 F N 0.198 119.774 119.950 -0.624 0.000 2.576 87 F HA 0.598 5.125 4.527 0.000 0.000 0.313 87 F C 1.022 176.325 175.800 -0.830 0.000 1.078 87 F CA -1.236 56.317 58.000 -0.744 0.000 0.921 87 F CB 1.571 40.013 39.000 -0.931 0.000 1.232 87 F HN 0.633 nan 8.300 nan 0.000 0.459 88 A N 1.904 124.510 122.820 -0.357 0.000 1.970 88 A HA 0.133 4.453 4.320 0.001 0.000 0.216 88 A C 0.286 177.524 177.584 -0.576 0.000 1.170 88 A CA 1.174 53.009 52.037 -0.337 0.000 0.645 88 A CB -0.566 18.306 19.000 -0.213 0.000 0.816 88 A HN 0.862 nan 8.150 nan 0.000 0.447 89 N N -3.589 114.764 118.700 -0.578 0.000 3.227 89 N HA 0.211 4.951 4.740 0.001 0.000 0.241 89 N C -3.057 172.095 175.510 -0.596 0.000 1.480 89 N CA -1.402 51.118 53.050 -0.884 0.000 0.886 89 N CB 0.770 38.759 38.487 -0.830 0.000 1.406 89 N HN -0.303 nan 8.380 nan 0.000 0.514 90 P HA -0.044 nan 4.420 nan 0.000 0.220 90 P C 0.558 177.579 177.300 -0.465 0.000 1.148 90 P CA 1.269 63.924 63.100 -0.741 0.000 0.803 90 P CB 0.179 30.949 31.700 -1.551 0.000 0.782 91 E N -0.135 119.841 120.200 -0.372 0.000 2.110 91 E HA -0.127 4.223 4.350 0.001 0.000 0.193 91 E C 2.132 178.631 176.600 -0.168 0.000 0.988 91 E CA 1.477 57.774 56.400 -0.171 0.000 0.804 91 E CB -1.009 28.638 29.700 -0.089 0.000 0.745 91 E HN 0.152 nan 8.360 nan 0.000 0.458 92 A N 0.433 123.135 122.820 -0.196 0.000 1.930 92 A HA -0.122 4.198 4.320 0.001 0.000 0.217 92 A C 2.419 179.907 177.584 -0.160 0.000 1.175 92 A CA 1.122 53.102 52.037 -0.095 0.000 0.627 92 A CB -0.568 18.420 19.000 -0.019 0.000 0.815 92 A HN 0.143 nan 8.150 nan 0.000 0.443 93 V N -0.215 119.413 119.914 -0.476 0.000 2.261 93 V HA -0.234 3.887 4.120 0.001 0.000 0.246 93 V C 2.781 178.633 176.094 -0.403 0.000 1.047 93 V CA 2.360 64.177 62.300 -0.805 0.000 1.015 93 V CB -0.968 30.381 31.823 -0.791 0.000 0.642 93 V HN 0.547 nan 8.190 nan 0.000 0.446 94 S N -0.118 115.414 115.700 -0.279 0.000 2.370 94 S HA -0.293 4.177 4.470 0.001 0.000 0.226 94 S C 1.843 176.355 174.600 -0.146 0.000 1.033 94 S CA 1.973 60.056 58.200 -0.196 0.000 1.011 94 S CB -0.518 62.610 63.200 -0.119 0.000 0.852 94 S HN 0.821 nan 8.310 nan 0.000 0.457 95 D N 1.402 121.738 120.400 -0.106 0.000 2.149 95 D HA -0.081 4.560 4.640 0.001 0.000 0.198 95 D C 1.817 178.096 176.300 -0.036 0.000 0.990 95 D CA 1.193 55.160 54.000 -0.056 0.000 0.839 95 D CB -0.273 40.506 40.800 -0.036 0.000 0.948 95 D HN 0.347 nan 8.370 nan 0.000 0.460 96 A N -0.295 122.510 122.820 -0.024 0.000 2.125 96 A HA -0.007 4.314 4.320 0.001 0.000 0.219 96 A C 1.958 179.550 177.584 0.012 0.000 1.156 96 A CA 0.826 52.883 52.037 0.034 0.000 0.671 96 A CB -0.460 18.616 19.000 0.126 0.000 0.794 96 A HN 0.429 nan 8.150 nan 0.000 0.459 97 L N -1.436 119.745 121.223 -0.070 0.000 2.728 97 L HA 0.201 4.542 4.340 0.001 0.000 0.238 97 L C 2.138 179.021 176.870 0.021 0.000 1.143 97 L CA 0.279 55.082 54.840 -0.062 0.000 0.937 97 L CB -0.037 41.736 42.059 -0.477 0.000 1.225 97 L HN 0.363 nan 8.230 nan 0.000 0.507 98 G N -0.331 108.456 108.800 -0.021 0.000 2.509 98 G HA2 -0.180 3.780 3.960 0.001 0.000 0.218 98 G HA3 -0.180 3.780 3.960 0.001 0.000 0.218 98 G C 1.590 176.459 174.900 -0.052 0.000 1.124 98 G CA 0.681 45.765 45.100 -0.027 0.000 0.776 98 G HN 0.307 nan 8.290 nan 0.000 0.547 99 S N -0.391 115.220 115.700 -0.148 0.000 2.399 99 S HA 0.027 4.498 4.470 0.001 0.000 0.231 99 S C 0.587 174.987 174.600 -0.334 0.000 1.022 99 S CA 0.477 58.481 58.200 -0.327 0.000 0.983 99 S CB -0.204 62.648 63.200 -0.581 0.000 0.803 99 S HN 0.458 nan 8.310 nan 0.000 0.480 100 Y N 1.463 121.813 120.300 0.082 0.000 2.301 100 Y HA 0.390 4.941 4.550 0.001 0.000 0.325 100 Y C 0.899 176.857 175.900 0.096 0.000 1.203 100 Y CA -0.660 57.511 58.100 0.117 0.000 1.255 100 Y CB 0.551 39.154 38.460 0.238 0.000 1.232 100 Y HN -0.102 nan 8.280 nan 0.000 0.501 101 R N 1.351 121.987 120.500 0.226 0.000 2.428 101 R HA 0.488 4.828 4.340 0.001 0.000 0.294 101 R C 0.632 177.018 176.300 0.144 0.000 1.000 101 R CA 0.104 56.288 56.100 0.140 0.000 0.960 101 R CB 1.175 31.531 30.300 0.093 0.000 1.076 101 R HN 0.982 nan 8.270 nan 0.000 0.475 102 G N 2.365 111.233 108.800 0.113 0.000 2.566 102 G HA2 -0.424 3.537 3.960 0.001 0.000 0.280 102 G HA3 -0.424 3.537 3.960 0.001 0.000 0.280 102 G C -0.315 174.661 174.900 0.128 0.000 1.225 102 G CA 0.281 45.444 45.100 0.104 0.000 0.966 102 G HN 0.878 nan 8.290 nan 0.000 0.560 103 N N -0.628 118.137 118.700 0.109 0.000 2.725 103 N HA -0.191 4.549 4.740 0.001 0.000 0.251 103 N C 1.359 176.951 175.510 0.136 0.000 1.031 103 N CA 1.216 54.335 53.050 0.116 0.000 0.720 103 N CB -0.344 38.221 38.487 0.129 0.000 0.930 103 N HN 0.677 nan 8.380 nan 0.000 0.543 104 R N -0.050 120.509 120.500 0.099 0.000 2.092 104 R HA -0.019 4.321 4.340 0.001 0.000 0.231 104 R C 1.704 178.043 176.300 0.066 0.000 1.119 104 R CA 1.510 57.656 56.100 0.077 0.000 0.970 104 R CB -0.144 30.191 30.300 0.059 0.000 0.864 104 R HN 0.513 nan 8.270 nan 0.000 0.440 105 M N -0.117 119.522 119.600 0.065 0.000 2.200 105 M HA -0.039 4.442 4.480 0.001 0.000 0.265 105 M C 2.501 178.839 176.300 0.063 0.000 1.066 105 M CA 1.415 56.744 55.300 0.048 0.000 1.127 105 M CB -0.254 32.374 32.600 0.046 0.000 1.379 105 M HN 0.162 nan 8.290 nan 0.000 0.420 106 A N 0.597 123.476 122.820 0.099 0.000 1.877 106 A HA -0.130 4.190 4.320 0.001 0.000 0.216 106 A C 2.215 179.948 177.584 0.248 0.000 1.186 106 A CA 1.308 53.435 52.037 0.150 0.000 0.620 106 A CB -0.505 18.571 19.000 0.125 0.000 0.822 106 A HN 0.319 nan 8.150 nan 0.000 0.443 107 R N -0.344 120.305 120.500 0.249 0.000 2.091 107 R HA -0.132 4.208 4.340 0.001 0.000 0.238 107 R C 2.399 178.691 176.300 -0.012 0.000 1.136 107 R CA 1.443 57.572 56.100 0.048 0.000 0.959 107 R CB -1.064 29.221 30.300 -0.024 0.000 0.856 107 R HN 0.540 nan 8.270 nan 0.000 0.437 108 A N 0.936 123.760 122.820 0.006 0.000 1.972 108 A HA -0.143 4.178 4.320 0.001 0.000 0.219 108 A C 2.294 179.855 177.584 -0.038 0.000 1.169 108 A CA 1.351 53.366 52.037 -0.036 0.000 0.635 108 A CB -0.401 18.565 19.000 -0.056 0.000 0.810 108 A HN 0.205 nan 8.150 nan 0.000 0.446 109 M N -0.794 118.809 119.600 0.004 0.000 2.080 109 M HA -0.162 4.319 4.480 0.001 0.000 0.260 109 M C 2.108 178.413 176.300 0.008 0.000 1.068 109 M CA 1.650 56.957 55.300 0.012 0.000 1.109 109 M CB -0.520 32.104 32.600 0.041 0.000 1.342 109 M HN 0.269 nan 8.290 nan 0.000 0.405 110 V N -0.015 119.904 119.914 0.008 0.000 2.307 110 V HA -0.229 3.892 4.120 0.001 0.000 0.245 110 V C 2.436 178.498 176.094 -0.053 0.000 1.045 110 V CA 1.868 64.152 62.300 -0.027 0.000 1.024 110 V CB -0.790 30.988 31.823 -0.074 0.000 0.651 110 V HN 0.487 nan 8.190 nan 0.000 0.449 111 E N -0.005 120.162 120.200 -0.055 0.000 2.077 111 E HA -0.206 4.144 4.350 0.001 0.000 0.193 111 E C 2.193 178.863 176.600 0.116 0.000 0.989 111 E CA 1.660 58.052 56.400 -0.013 0.000 0.800 111 E CB -0.112 29.595 29.700 0.011 0.000 0.746 111 E HN 0.572 nan 8.360 nan 0.000 0.452 112 M N -0.139 119.490 119.600 0.048 0.000 2.200 112 M HA -0.061 4.419 4.480 0.001 0.000 0.265 112 M C 2.423 178.765 176.300 0.070 0.000 1.066 112 M CA 1.308 56.615 55.300 0.012 0.000 1.127 112 M CB -0.159 32.202 32.600 -0.399 0.000 1.379 112 M HN 0.082 nan 8.290 nan 0.000 0.420 113 A N 0.565 123.414 122.820 0.049 0.000 1.933 113 A HA -0.043 4.277 4.320 0.001 0.000 0.218 113 A C 2.371 179.987 177.584 0.053 0.000 1.175 113 A CA 1.854 53.938 52.037 0.079 0.000 0.628 113 A CB -0.857 18.165 19.000 0.037 0.000 0.814 113 A HN 0.483 nan 8.150 nan 0.000 0.444 114 A N -1.484 121.341 122.820 0.008 0.000 1.933 114 A HA -0.140 4.180 4.320 0.001 0.000 0.218 114 A C 1.959 179.487 177.584 -0.092 0.000 1.175 114 A CA 1.289 53.277 52.037 -0.081 0.000 0.628 114 A CB -0.853 18.057 19.000 -0.150 0.000 0.814 114 A HN 0.737 nan 8.150 nan 0.000 0.444 115 W N -0.007 121.314 121.300 0.034 0.000 2.358 115 W HA -0.158 4.502 4.660 0.000 0.000 0.303 115 W C 2.057 178.611 176.519 0.059 0.000 1.208 115 W CA 1.452 58.853 57.345 0.094 0.000 1.274 115 W CB -0.188 29.335 29.460 0.104 0.000 1.138 115 W HN 0.458 nan 8.180 nan 0.000 0.515 116 D N -0.100 120.475 120.400 0.292 0.000 2.117 116 D HA -0.188 4.452 4.640 0.001 0.000 0.197 116 D C 2.022 178.335 176.300 0.021 0.000 0.987 116 D CA 1.264 55.356 54.000 0.154 0.000 0.829 116 D CB -0.401 40.514 40.800 0.193 0.000 0.961 116 D HN 0.005 nan 8.370 nan 0.000 0.460 117 L N 0.468 121.674 121.223 -0.029 0.000 1.994 117 L HA -0.072 4.268 4.340 0.001 0.000 0.208 117 L C 2.218 178.964 176.870 -0.207 0.000 1.071 117 L CA 1.828 56.590 54.840 -0.130 0.000 0.745 117 L CB -0.978 40.978 42.059 -0.171 0.000 0.892 117 L HN 0.382 nan 8.230 nan 0.000 0.431 118 W N 0.427 121.396 121.300 -0.551 0.000 2.333 118 W HA -0.309 4.352 4.660 0.002 0.000 0.316 118 W C 2.135 178.510 176.519 -0.240 0.000 1.215 118 W CA 1.847 58.833 57.345 -0.599 0.000 1.278 118 W CB -0.303 28.785 29.460 -0.619 0.000 1.154 118 W HN 0.358 nan 8.180 nan 0.000 0.486 119 A N 1.320 123.999 122.820 -0.235 0.000 1.908 119 A HA -0.240 4.080 4.320 0.001 0.000 0.218 119 A C 1.997 179.417 177.584 -0.274 0.000 1.181 119 A CA 2.069 53.925 52.037 -0.302 0.000 0.627 119 A CB -0.955 17.990 19.000 -0.092 0.000 0.818 119 A HN 0.456 nan 8.150 nan 0.000 0.445 120 R N -0.693 119.695 120.500 -0.187 0.000 2.148 120 R HA -0.067 4.273 4.340 0.001 0.000 0.223 120 R C 2.368 178.576 176.300 -0.153 0.000 1.088 120 R CA 1.561 57.575 56.100 -0.144 0.000 0.985 120 R CB -0.552 29.692 30.300 -0.094 0.000 0.880 120 R HN 0.777 nan 8.270 nan 0.000 0.451 121 T N -1.117 113.321 114.554 -0.194 0.000 2.915 121 T HA -0.037 4.313 4.350 0.001 0.000 0.269 121 T C 1.712 176.289 174.700 -0.204 0.000 1.071 121 T CA 0.898 62.908 62.100 -0.150 0.000 1.132 121 T CB -0.052 68.769 68.868 -0.078 0.000 0.878 121 T HN 0.155 nan 8.240 nan 0.000 0.479 122 L N 0.194 121.214 121.223 -0.339 0.000 2.554 122 L HA 0.392 4.732 4.340 0.001 0.000 0.225 122 L C 2.004 178.754 176.870 -0.200 0.000 1.104 122 L CA 0.331 54.980 54.840 -0.318 0.000 0.866 122 L CB -0.521 41.235 42.059 -0.505 0.000 1.047 122 L HN 0.549 nan 8.230 nan 0.000 0.468 123 G N 1.228 109.924 108.800 -0.173 0.000 2.198 123 G HA2 -0.231 3.729 3.960 0.001 0.000 0.260 123 G HA3 -0.231 3.729 3.960 0.001 0.000 0.260 123 G C -0.065 174.770 174.900 -0.110 0.000 1.025 123 G CA 0.205 45.234 45.100 -0.117 0.000 0.769 123 G HN 0.140 nan 8.290 nan 0.000 0.507 124 V N 0.305 120.134 119.914 -0.141 0.000 2.628 124 V HA 0.545 4.666 4.120 0.001 0.000 0.306 124 V C -1.817 174.217 176.094 -0.100 0.000 1.045 124 V CA -2.022 60.213 62.300 -0.109 0.000 0.905 124 V CB 2.179 33.926 31.823 -0.126 0.000 0.997 124 V HN 0.075 nan 8.190 nan 0.000 0.436 125 P HA 0.037 nan 4.420 nan 0.000 0.266 125 P C 0.600 177.831 177.300 -0.116 0.000 1.195 125 P CA -0.104 62.960 63.100 -0.060 0.000 0.768 125 P CB 0.617 32.357 31.700 0.066 0.000 0.838 126 L N 4.408 125.439 121.223 -0.320 0.000 2.017 126 L HA -0.078 4.262 4.340 0.001 0.000 0.208 126 L C 2.216 178.982 176.870 -0.174 0.000 1.073 126 L CA 2.630 57.294 54.840 -0.294 0.000 0.745 126 L CB -1.678 40.075 42.059 -0.510 0.000 0.894 126 L HN 0.510 nan 8.230 nan 0.000 0.432 127 G N -1.852 106.978 108.800 0.051 0.000 2.442 127 G HA2 -0.272 3.688 3.960 0.001 0.000 0.219 127 G HA3 -0.272 3.688 3.960 0.001 0.000 0.219 127 G C 1.429 176.324 174.900 -0.008 0.000 1.141 127 G CA 1.252 46.380 45.100 0.045 0.000 0.763 127 G HN 0.456 nan 8.290 nan 0.000 0.554 128 T N 1.414 115.985 114.554 0.029 0.000 2.684 128 T HA -0.090 4.260 4.350 0.001 0.000 0.267 128 T C 2.378 177.094 174.700 0.026 0.000 1.036 128 T CA 1.083 63.202 62.100 0.031 0.000 1.148 128 T CB -0.242 68.642 68.868 0.028 0.000 0.863 128 T HN 0.173 nan 8.240 nan 0.000 0.436 129 L N 0.275 121.510 121.223 0.020 0.000 2.201 129 L HA 0.036 4.376 4.340 0.001 0.000 0.212 129 L C 2.159 179.062 176.870 0.055 0.000 1.105 129 L CA 0.871 55.768 54.840 0.095 0.000 0.775 129 L CB -0.445 41.746 42.059 0.222 0.000 0.913 129 L HN 0.268 nan 8.230 nan 0.000 0.440 130 L N -0.802 120.359 121.223 -0.104 0.000 2.554 130 L HA 0.112 4.452 4.340 0.001 0.000 0.226 130 L C 1.491 178.319 176.870 -0.070 0.000 1.137 130 L CA 0.676 55.407 54.840 -0.183 0.000 0.863 130 L CB -0.251 41.597 42.059 -0.351 0.000 0.985 130 L HN 0.476 nan 8.230 nan 0.000 0.451 131 G N -0.483 108.312 108.800 -0.009 0.000 2.179 131 G HA2 -0.192 3.769 3.960 0.001 0.000 0.220 131 G HA3 -0.192 3.769 3.960 0.001 0.000 0.220 131 G C 0.525 175.462 174.900 0.061 0.000 0.990 131 G CA -0.334 44.795 45.100 0.047 0.000 0.646 131 G HN 0.479 nan 8.290 nan 0.000 0.517 132 G N -0.400 108.396 108.800 -0.006 0.000 2.503 132 G HA2 0.600 4.560 3.960 0.001 0.000 0.257 132 G HA3 0.600 4.560 3.960 0.001 0.000 0.257 132 G C 0.155 175.074 174.900 0.032 0.000 1.214 132 G CA 0.310 45.379 45.100 -0.053 0.000 0.839 132 G HN 1.410 nan 8.290 nan 0.000 0.559 133 H N -1.964 117.107 119.070 0.002 0.000 2.985 133 H HA 0.350 4.906 4.556 0.000 0.000 0.246 133 H C 0.185 175.511 175.328 -0.003 0.000 1.181 133 H CA -0.674 55.375 56.048 0.001 0.000 0.972 133 H CB -0.153 29.615 29.762 0.011 0.000 2.016 133 H HN 0.309 nan 8.280 nan 0.000 0.672 134 K N 1.058 121.387 120.400 -0.119 0.000 2.237 134 K HA 0.121 4.442 4.320 0.001 0.000 0.270 134 K C 0.144 176.717 176.600 -0.045 0.000 1.015 134 K CA -0.105 56.141 56.287 -0.069 0.000 0.949 134 K CB 1.353 33.796 32.500 -0.095 0.000 0.976 134 K HN 0.446 nan 8.250 nan 0.000 0.472 135 E N 1.193 121.376 120.200 -0.028 0.000 2.415 135 E HA -0.016 4.334 4.350 0.001 0.000 0.197 135 E C -0.189 176.376 176.600 -0.058 0.000 1.007 135 E CA 0.430 56.808 56.400 -0.037 0.000 0.890 135 E CB 0.612 30.303 29.700 -0.014 0.000 0.891 135 E HN 0.428 nan 8.360 nan 0.000 0.496 136 Q N 0.214 119.981 119.800 -0.054 0.000 2.462 136 Q HA 0.452 4.793 4.340 0.001 0.000 0.285 136 Q C -1.227 174.742 176.000 -0.052 0.000 1.035 136 Q CA -0.841 54.929 55.803 -0.056 0.000 0.799 136 Q CB 3.135 31.850 28.738 -0.038 0.000 1.452 136 Q HN 0.002 nan 8.270 nan 0.000 0.404 137 V N -2.306 117.578 119.914 -0.049 0.000 2.735 137 V HA 0.556 4.677 4.120 0.001 0.000 0.310 137 V C -0.537 175.557 176.094 0.001 0.000 1.061 137 V CA -0.892 61.391 62.300 -0.029 0.000 0.913 137 V CB 1.977 33.764 31.823 -0.061 0.000 1.005 137 V HN 0.724 nan 8.190 nan 0.000 0.428 138 E N 2.184 122.402 120.200 0.030 0.000 2.354 138 E HA 0.510 4.860 4.350 0.001 0.000 0.269 138 E C -0.391 176.251 176.600 0.071 0.000 1.036 138 E CA -0.372 56.053 56.400 0.042 0.000 0.876 138 E CB 1.963 31.694 29.700 0.051 0.000 1.009 138 E HN 0.940 nan 8.360 nan 0.000 0.416 139 V N -0.534 119.426 119.914 0.077 0.000 2.680 139 V HA 0.869 4.989 4.120 0.001 0.000 0.309 139 V C 0.143 176.359 176.094 0.203 0.000 1.052 139 V CA -0.681 61.701 62.300 0.137 0.000 0.908 139 V CB 1.704 33.617 31.823 0.150 0.000 1.001 139 V HN 0.673 nan 8.190 nan 0.000 0.431 140 G N 1.000 109.895 108.800 0.158 0.000 2.667 140 G HA2 0.708 4.668 3.960 0.001 0.000 0.310 140 G HA3 0.708 4.668 3.960 0.001 0.000 0.310 140 G C -1.194 173.626 174.900 -0.133 0.000 1.259 140 G CA -0.745 44.389 45.100 0.057 0.000 1.019 140 G HN 1.271 nan 8.290 nan 0.000 0.496 141 V N -0.822 118.821 119.914 -0.453 0.000 2.864 141 V HA 0.778 4.899 4.120 0.001 0.000 0.314 141 V C -0.540 175.312 176.094 -0.403 0.000 1.073 141 V CA -0.621 61.242 62.300 -0.728 0.000 0.956 141 V CB 2.407 33.324 31.823 -1.510 0.000 1.023 141 V HN 0.746 nan 8.190 nan 0.000 0.435 142 S N 5.825 121.339 115.700 -0.310 0.000 2.552 142 S HA 0.713 5.183 4.470 0.001 0.000 0.314 142 S C -1.069 173.455 174.600 -0.125 0.000 1.099 142 S CA -0.388 57.723 58.200 -0.148 0.000 1.070 142 S CB 1.246 64.422 63.200 -0.041 0.000 0.998 142 S HN 0.495 nan 8.310 nan 0.000 0.474 143 L N 2.834 124.016 121.223 -0.069 0.000 2.307 143 L HA 0.628 4.968 4.340 0.001 0.000 0.284 143 L C 1.079 177.968 176.870 0.032 0.000 1.023 143 L CA -0.049 54.788 54.840 -0.006 0.000 0.810 143 L CB 0.987 43.062 42.059 0.026 0.000 1.231 143 L HN 0.767 nan 8.230 nan 0.000 0.423 144 G N 2.853 111.677 108.800 0.041 0.000 2.653 144 G HA2 0.375 4.336 3.960 0.001 0.000 0.265 144 G HA3 0.375 4.336 3.960 0.001 0.000 0.265 144 G C 0.092 175.047 174.900 0.092 0.000 1.237 144 G CA -0.714 44.422 45.100 0.059 0.000 0.946 144 G HN 0.516 nan 8.290 nan 0.000 0.522 145 I N 1.137 121.768 120.570 0.101 0.000 2.533 145 I HA 0.050 4.220 4.170 0.001 0.000 0.284 145 I C 0.261 176.413 176.117 0.059 0.000 1.109 145 I CA -0.077 61.305 61.300 0.137 0.000 1.412 145 I CB 0.781 38.839 38.000 0.097 0.000 1.396 145 I HN 0.309 nan 8.210 nan 0.000 0.543 146 Q N 4.571 124.435 119.800 0.106 0.000 2.194 146 Q HA 0.425 4.766 4.340 0.001 0.000 0.245 146 Q C 0.758 176.681 176.000 -0.129 0.000 0.993 146 Q CA -0.546 55.274 55.803 0.027 0.000 0.930 146 Q CB 1.285 30.083 28.738 0.099 0.000 1.238 146 Q HN 0.747 nan 8.270 nan 0.000 0.486 147 A N 0.362 123.102 122.820 -0.133 0.000 2.014 147 A HA -0.049 4.271 4.320 0.001 0.000 0.218 147 A C 0.079 177.467 177.584 -0.326 0.000 1.163 147 A CA 1.884 53.776 52.037 -0.241 0.000 0.652 147 A CB -0.134 18.783 19.000 -0.137 0.000 0.808 147 A HN 0.780 nan 8.150 nan 0.000 0.449 148 D N -4.117 116.219 120.400 -0.107 0.000 2.692 148 D HA 0.227 4.867 4.640 0.001 0.000 0.303 148 D C 0.174 176.695 176.300 0.369 0.000 1.278 148 D CA -0.392 53.652 54.000 0.075 0.000 0.852 148 D CB -0.122 40.701 40.800 0.040 0.000 1.375 148 D HN -0.042 nan 8.370 nan 0.000 0.453 149 E N -1.030 119.408 120.200 0.398 0.000 2.051 149 E HA -0.230 4.120 4.350 0.001 0.000 0.192 149 E C 1.389 178.074 176.600 0.141 0.000 0.991 149 E CA 1.262 57.808 56.400 0.245 0.000 0.799 149 E CB 0.015 29.792 29.700 0.130 0.000 0.748 149 E HN 0.386 nan 8.360 nan 0.000 0.449 150 Q N 0.693 120.556 119.800 0.105 0.000 2.119 150 Q HA -0.073 4.267 4.340 0.001 0.000 0.201 150 Q C 1.849 177.889 176.000 0.068 0.000 0.972 150 Q CA 1.641 57.484 55.803 0.067 0.000 0.847 150 Q CB -0.298 28.466 28.738 0.043 0.000 0.903 150 Q HN 0.254 nan 8.270 nan 0.000 0.433 151 A N -0.933 121.931 122.820 0.074 0.000 1.930 151 A HA -0.149 4.171 4.320 0.001 0.000 0.217 151 A C 2.244 179.872 177.584 0.073 0.000 1.175 151 A CA 1.867 53.938 52.037 0.056 0.000 0.627 151 A CB -0.888 18.136 19.000 0.040 0.000 0.815 151 A HN 0.461 nan 8.150 nan 0.000 0.443 152 T N -0.251 114.375 114.554 0.121 0.000 2.674 152 T HA -0.132 4.219 4.350 0.001 0.000 0.265 152 T C 1.891 176.643 174.700 0.087 0.000 1.039 152 T CA 1.692 63.864 62.100 0.120 0.000 1.150 152 T CB -0.497 68.469 68.868 0.163 0.000 0.864 152 T HN 0.149 nan 8.240 nan 0.000 0.427 153 V N 1.779 121.753 119.914 0.100 0.000 2.343 153 V HA -0.202 3.918 4.120 0.001 0.000 0.247 153 V C 2.357 178.537 176.094 0.143 0.000 1.051 153 V CA 2.112 64.501 62.300 0.148 0.000 1.036 153 V CB -0.696 31.201 31.823 0.122 0.000 0.654 153 V HN 0.534 nan 8.190 nan 0.000 0.451 154 D N -0.389 120.058 120.400 0.079 0.000 2.117 154 D HA -0.200 4.440 4.640 0.001 0.000 0.197 154 D C 1.944 178.240 176.300 -0.007 0.000 0.987 154 D CA 1.250 55.277 54.000 0.045 0.000 0.829 154 D CB -0.085 40.726 40.800 0.018 0.000 0.961 154 D HN 0.283 nan 8.370 nan 0.000 0.460 155 L N -0.140 121.065 121.223 -0.029 0.000 2.072 155 L HA -0.031 4.310 4.340 0.001 0.000 0.205 155 L C 2.236 179.009 176.870 -0.162 0.000 1.079 155 L CA 1.132 55.898 54.840 -0.124 0.000 0.752 155 L CB -0.506 41.517 42.059 -0.059 0.000 0.906 155 L HN 0.030 nan 8.230 nan 0.000 0.436 156 V N -0.028 119.851 119.914 -0.058 0.000 2.332 156 V HA -0.332 3.789 4.120 0.001 0.000 0.248 156 V C 2.772 178.728 176.094 -0.231 0.000 1.055 156 V CA 2.184 64.405 62.300 -0.132 0.000 1.038 156 V CB -0.775 30.944 31.823 -0.174 0.000 0.651 156 V HN 0.500 nan 8.190 nan 0.000 0.450 157 R N -0.094 120.369 120.500 -0.061 0.000 2.091 157 R HA -0.210 4.130 4.340 0.001 0.000 0.238 157 R C 2.563 178.851 176.300 -0.020 0.000 1.136 157 R CA 1.920 58.067 56.100 0.078 0.000 0.959 157 R CB -0.313 30.157 30.300 0.283 0.000 0.856 157 R HN 0.474 nan 8.270 nan 0.000 0.437 158 R N -0.451 119.989 120.500 -0.100 0.000 2.094 158 R HA -0.207 4.133 4.340 0.001 0.000 0.239 158 R C 1.827 178.074 176.300 -0.087 0.000 1.137 158 R CA 2.351 58.362 56.100 -0.149 0.000 0.943 158 R CB -0.393 29.723 30.300 -0.307 0.000 0.850 158 R HN 0.506 nan 8.270 nan 0.000 0.433 159 H N -0.870 118.197 119.070 -0.004 0.000 2.428 159 H HA -0.027 4.529 4.556 0.001 0.000 0.296 159 H C 2.129 177.509 175.328 0.086 0.000 1.062 159 H CA 1.023 57.118 56.048 0.079 0.000 1.350 159 H CB 0.271 30.000 29.762 -0.054 0.000 1.403 159 H HN 0.012 nan 8.280 nan 0.000 0.533 160 V N 0.912 120.845 119.914 0.032 0.000 2.332 160 V HA -0.247 3.874 4.120 0.001 0.000 0.248 160 V C 2.301 178.412 176.094 0.029 0.000 1.055 160 V CA 2.089 64.368 62.300 -0.035 0.000 1.038 160 V CB -0.294 31.388 31.823 -0.234 0.000 0.651 160 V HN 0.386 nan 8.190 nan 0.000 0.450 161 E N 0.132 120.355 120.200 0.037 0.000 2.204 161 E HA -0.208 4.143 4.350 0.001 0.000 0.194 161 E C 2.163 178.778 176.600 0.025 0.000 0.989 161 E CA 1.151 57.573 56.400 0.036 0.000 0.824 161 E CB -0.212 29.508 29.700 0.033 0.000 0.756 161 E HN 0.665 nan 8.360 nan 0.000 0.477 162 Q N -1.325 118.507 119.800 0.053 0.000 2.436 162 Q HA 0.091 4.432 4.340 0.001 0.000 0.209 162 Q C 0.974 176.910 176.000 -0.108 0.000 0.965 162 Q CA 0.659 56.465 55.803 0.005 0.000 0.910 162 Q CB 0.373 29.171 28.738 0.101 0.000 0.980 162 Q HN 0.429 nan 8.270 nan 0.000 0.491 163 G N -0.388 108.378 108.800 -0.057 0.000 2.159 163 G HA2 -0.268 3.693 3.960 0.001 0.000 0.227 163 G HA3 -0.268 3.693 3.960 0.001 0.000 0.227 163 G C -0.350 174.481 174.900 -0.116 0.000 0.986 163 G CA -0.528 44.517 45.100 -0.092 0.000 0.651 163 G HN 0.282 nan 8.290 nan 0.000 0.523 164 Y N 0.296 120.580 120.300 -0.026 0.000 2.578 164 Y HA 0.318 4.868 4.550 0.001 0.000 0.339 164 Y C 2.019 177.885 175.900 -0.057 0.000 1.231 164 Y CA 0.627 58.699 58.100 -0.048 0.000 1.461 164 Y CB 0.459 38.874 38.460 -0.076 0.000 1.323 164 Y HN 0.108 nan 8.280 nan 0.000 0.590 165 R N 1.362 121.931 120.500 0.114 0.000 2.362 165 R HA 0.174 4.514 4.340 0.001 0.000 0.227 165 R C 0.131 176.429 176.300 -0.003 0.000 0.905 165 R CA 0.005 56.126 56.100 0.036 0.000 1.067 165 R CB 0.503 30.818 30.300 0.025 0.000 1.078 165 R HN 0.396 nan 8.270 nan 0.000 0.516 166 R N 1.110 121.601 120.500 -0.016 0.000 2.594 166 R HA 0.234 4.575 4.340 0.001 0.000 0.265 166 R C -1.859 174.355 176.300 -0.144 0.000 1.070 166 R CA -0.513 55.522 56.100 -0.108 0.000 0.909 166 R CB 1.425 31.627 30.300 -0.163 0.000 1.243 166 R HN -0.082 nan 8.270 nan 0.000 0.455 167 I N 3.670 124.131 120.570 -0.181 0.000 2.378 167 I HA 0.396 4.567 4.170 0.001 0.000 0.291 167 I C 0.091 176.083 176.117 -0.208 0.000 0.992 167 I CA -0.606 60.576 61.300 -0.197 0.000 1.154 167 I CB 1.548 39.440 38.000 -0.180 0.000 1.315 167 I HN 0.470 nan 8.210 nan 0.000 0.448 168 K N 7.592 127.877 120.400 -0.191 0.000 2.307 168 K HA 0.604 4.925 4.320 0.001 0.000 0.263 168 K C -1.504 175.046 176.600 -0.084 0.000 0.973 168 K CA -0.554 55.645 56.287 -0.146 0.000 0.846 168 K CB 1.369 33.802 32.500 -0.113 0.000 1.100 168 K HN 0.545 nan 8.250 nan 0.000 0.438 169 L N 4.253 125.441 121.223 -0.058 0.000 2.282 169 L HA 0.395 4.735 4.340 0.001 0.000 0.288 169 L C 0.155 177.048 176.870 0.037 0.000 1.033 169 L CA -0.868 53.966 54.840 -0.010 0.000 0.807 169 L CB 1.435 43.476 42.059 -0.030 0.000 1.209 169 L HN 0.579 nan 8.230 nan 0.000 0.423 170 K N 4.605 125.051 120.400 0.076 0.000 2.401 170 K HA 0.426 4.747 4.320 0.001 0.000 0.278 170 K C -0.553 176.140 176.600 0.154 0.000 1.018 170 K CA -0.146 56.213 56.287 0.119 0.000 0.981 170 K CB 0.616 33.189 32.500 0.121 0.000 0.933 170 K HN 0.604 nan 8.250 nan 0.000 0.477 171 I N 0.168 120.843 120.570 0.175 0.000 3.145 171 I HA 0.622 4.792 4.170 0.001 0.000 0.313 171 I C -1.396 174.885 176.117 0.273 0.000 1.122 171 I CA -1.092 60.335 61.300 0.213 0.000 0.987 171 I CB 2.236 40.322 38.000 0.143 0.000 1.236 171 I HN 0.682 nan 8.210 nan 0.000 0.453 172 K N 1.282 121.854 120.400 0.286 0.000 2.579 172 K HA 0.607 4.927 4.320 0.001 0.000 0.284 172 K C -3.262 173.395 176.600 0.094 0.000 0.990 172 K CA -1.803 54.567 56.287 0.139 0.000 0.880 172 K CB 1.358 33.915 32.500 0.094 0.000 1.488 172 K HN 0.233 nan 8.250 nan 0.000 0.425 173 P HA -0.016 nan 4.420 nan 0.000 0.261 173 P C 0.556 177.900 177.300 0.073 0.000 1.173 173 P CA 1.901 64.942 63.100 -0.098 0.000 0.760 173 P CB 0.427 31.985 31.700 -0.236 0.000 0.783 174 G N 1.699 110.585 108.800 0.142 0.000 2.195 174 G HA2 -0.208 3.752 3.960 0.001 0.000 0.246 174 G HA3 -0.208 3.752 3.960 0.001 0.000 0.246 174 G C -0.335 174.765 174.900 0.333 0.000 0.984 174 G CA -0.242 44.968 45.100 0.183 0.000 0.633 174 G HN 0.609 nan 8.290 nan 0.000 0.525 175 W N 1.556 122.892 121.300 0.060 0.000 2.183 175 W HA 0.443 5.103 4.660 0.001 0.000 0.289 175 W C -0.155 176.413 176.519 0.081 0.000 1.029 175 W CA 0.322 57.698 57.345 0.053 0.000 1.264 175 W CB 0.560 30.041 29.460 0.035 0.000 1.232 175 W HN 0.308 nan 8.180 nan 0.000 0.311 176 D N -0.420 119.844 120.400 -0.226 0.000 2.769 176 D HA -0.020 4.620 4.640 0.001 0.000 0.155 176 D C 1.414 177.559 176.300 -0.258 0.000 1.479 176 D CA 0.317 54.219 54.000 -0.163 0.000 1.511 176 D CB 0.239 41.081 40.800 0.070 0.000 1.634 176 D HN -0.079 nan 8.370 nan 0.000 0.282 177 V N 0.986 120.799 119.914 -0.168 0.000 2.407 177 V HA -0.241 3.880 4.120 0.001 0.000 0.248 177 V C 2.362 178.269 176.094 -0.312 0.000 1.055 177 V CA 2.310 64.517 62.300 -0.155 0.000 1.049 177 V CB -0.873 30.934 31.823 -0.026 0.000 0.662 177 V HN 0.160 nan 8.190 nan 0.000 0.455 178 Q N 0.418 119.970 119.800 -0.413 0.000 1.993 178 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 178 Q C 0.071 175.709 176.000 -0.604 0.000 0.984 178 Q CA 2.199 57.705 55.803 -0.496 0.000 0.837 178 Q CB -1.703 26.707 28.738 -0.548 0.000 0.902 178 Q HN 0.537 nan 8.270 nan 0.000 0.423 179 P HA -0.101 nan 4.420 nan 0.000 0.219 179 P C 1.204 178.292 177.300 -0.354 0.000 1.150 179 P CA 1.102 63.874 63.100 -0.547 0.000 0.814 179 P CB 0.073 31.413 31.700 -0.600 0.000 0.787 180 V N 0.983 120.664 119.914 -0.389 0.000 2.307 180 V HA -0.188 3.932 4.120 0.001 0.000 0.245 180 V C 3.048 178.817 176.094 -0.542 0.000 1.045 180 V CA 1.918 64.007 62.300 -0.352 0.000 1.024 180 V CB -1.133 30.521 31.823 -0.281 0.000 0.651 180 V HN 0.075 nan 8.190 nan 0.000 0.449 181 R N 0.476 120.520 120.500 -0.759 0.000 2.083 181 R HA -0.185 4.155 4.340 0.001 0.000 0.237 181 R C 2.290 178.333 176.300 -0.428 0.000 1.137 181 R CA 1.895 57.423 56.100 -0.953 0.000 0.951 181 R CB -0.526 29.385 30.300 -0.649 0.000 0.851 181 R HN 0.455 nan 8.270 nan 0.000 0.434 182 A N 0.019 122.670 122.820 -0.282 0.000 1.902 182 A HA -0.137 4.184 4.320 0.001 0.000 0.217 182 A C 2.207 179.743 177.584 -0.079 0.000 1.181 182 A CA 2.059 54.012 52.037 -0.140 0.000 0.623 182 A CB -0.892 18.055 19.000 -0.089 0.000 0.818 182 A HN 0.506 nan 8.150 nan 0.000 0.443 183 T N -0.798 113.711 114.554 -0.075 0.000 2.737 183 T HA -0.114 4.237 4.350 0.001 0.000 0.265 183 T C 2.134 176.893 174.700 0.098 0.000 1.038 183 T CA 1.680 63.818 62.100 0.063 0.000 1.144 183 T CB -0.203 68.673 68.868 0.012 0.000 0.866 183 T HN 0.488 nan 8.240 nan 0.000 0.434 184 R N 1.517 121.999 120.500 -0.030 0.000 2.115 184 R HA 0.005 4.345 4.340 0.001 0.000 0.230 184 R C 2.123 178.441 176.300 0.029 0.000 1.111 184 R CA 1.464 57.582 56.100 0.030 0.000 0.976 184 R CB -0.444 29.883 30.300 0.044 0.000 0.870 184 R HN 0.483 nan 8.270 nan 0.000 0.445 185 E N -0.533 119.650 120.200 -0.028 0.000 2.077 185 E HA -0.157 4.194 4.350 0.001 0.000 0.193 185 E C 1.768 178.307 176.600 -0.102 0.000 0.989 185 E CA 1.335 57.713 56.400 -0.037 0.000 0.800 185 E CB -0.146 29.526 29.700 -0.046 0.000 0.746 185 E HN 0.481 nan 8.360 nan 0.000 0.452 186 A N 0.317 123.041 122.820 -0.160 0.000 2.016 186 A HA -0.015 4.306 4.320 0.001 0.000 0.217 186 A C 0.644 177.762 177.584 -0.777 0.000 1.162 186 A CA 0.660 52.424 52.037 -0.454 0.000 0.662 186 A CB 0.082 18.780 19.000 -0.504 0.000 0.812 186 A HN 0.149 nan 8.150 nan 0.000 0.450 187 F N -1.271 118.667 119.950 -0.019 0.000 2.660 187 F HA 0.351 4.879 4.527 0.001 0.000 0.352 187 F C -2.148 173.647 175.800 -0.009 0.000 1.257 187 F CA -1.754 56.239 58.000 -0.013 0.000 1.200 187 F CB 1.563 40.553 39.000 -0.017 0.000 1.473 187 F HN -0.008 nan 8.300 nan 0.000 0.561 188 P HA -0.102 nan 4.420 nan 0.000 0.222 188 P C 0.503 177.846 177.300 0.071 0.000 1.147 188 P CA 1.438 64.578 63.100 0.066 0.000 0.790 188 P CB 0.334 32.052 31.700 0.029 0.000 0.780 189 D N -1.465 118.987 120.400 0.086 0.000 2.469 189 D HA 0.115 4.756 4.640 0.001 0.000 0.213 189 D C 1.082 177.413 176.300 0.051 0.000 1.135 189 D CA -0.105 53.930 54.000 0.059 0.000 0.834 189 D CB 0.303 41.133 40.800 0.050 0.000 1.009 189 D HN 0.270 nan 8.370 nan 0.000 0.507 190 I N -0.964 119.648 120.570 0.069 0.000 2.938 190 I HA 0.187 4.357 4.170 0.001 0.000 0.285 190 I C 0.549 176.651 176.117 -0.024 0.000 1.182 190 I CA -0.677 60.632 61.300 0.014 0.000 1.388 190 I CB 0.904 38.887 38.000 -0.028 0.000 1.390 190 I HN -0.352 nan 8.210 nan 0.000 0.600 191 R N 4.363 124.831 120.500 -0.054 0.000 2.288 191 R HA 0.423 4.763 4.340 0.001 0.000 0.330 191 R C -1.372 174.841 176.300 -0.144 0.000 1.069 191 R CA -0.510 55.535 56.100 -0.093 0.000 0.941 191 R CB 0.455 30.700 30.300 -0.093 0.000 0.998 191 R HN 0.683 nan 8.270 nan 0.000 0.452 192 L N 4.452 125.579 121.223 -0.159 0.000 2.362 192 L HA 0.543 4.884 4.340 0.001 0.000 0.275 192 L C -0.800 175.903 176.870 -0.278 0.000 0.998 192 L CA -0.023 54.707 54.840 -0.183 0.000 0.820 192 L CB 2.204 44.199 42.059 -0.108 0.000 1.270 192 L HN 0.836 nan 8.230 nan 0.000 0.415 193 T N 1.748 116.104 114.554 -0.331 0.000 2.883 193 T HA 0.844 5.194 4.350 0.001 0.000 0.296 193 T C -0.676 173.885 174.700 -0.232 0.000 1.117 193 T CA -0.339 61.487 62.100 -0.457 0.000 1.006 193 T CB 1.536 69.883 68.868 -0.868 0.000 1.191 193 T HN 0.876 nan 8.240 nan 0.000 0.508 194 V N -1.378 118.454 119.914 -0.137 0.000 2.962 194 V HA 0.807 4.928 4.120 0.001 0.000 0.313 194 V C -1.530 174.625 176.094 0.101 0.000 1.099 194 V CA -0.893 61.398 62.300 -0.015 0.000 0.971 194 V CB 1.959 33.774 31.823 -0.013 0.000 1.028 194 V HN 1.022 nan 8.190 nan 0.000 0.430 195 D N 2.618 123.095 120.400 0.128 0.000 2.427 195 D HA 0.692 5.332 4.640 0.001 0.000 0.226 195 D C 0.600 177.017 176.300 0.195 0.000 1.076 195 D CA 0.129 54.242 54.000 0.190 0.000 0.849 195 D CB 1.803 42.716 40.800 0.187 0.000 1.052 195 D HN 0.903 nan 8.370 nan 0.000 0.515 196 A N 4.057 127.009 122.820 0.220 0.000 2.218 196 A HA 0.065 4.385 4.320 0.001 0.000 0.209 196 A C 1.159 178.938 177.584 0.324 0.000 1.168 196 A CA 0.163 52.380 52.037 0.301 0.000 0.804 196 A CB -0.582 18.548 19.000 0.216 0.000 0.834 196 A HN 0.861 nan 8.150 nan 0.000 0.482 197 N N -0.369 118.480 118.700 0.250 0.000 2.735 197 N HA -0.226 4.514 4.740 0.001 0.000 0.248 197 N C -0.096 175.535 175.510 0.203 0.000 1.083 197 N CA 0.531 53.706 53.050 0.209 0.000 0.703 197 N CB -1.058 37.533 38.487 0.173 0.000 1.005 197 N HN 0.337 nan 8.380 nan 0.000 0.550 198 S N -2.833 113.013 115.700 0.244 0.000 3.533 198 S HA -0.253 4.217 4.470 0.001 0.000 0.347 198 S C 0.898 175.603 174.600 0.174 0.000 1.101 198 S CA 0.914 59.253 58.200 0.232 0.000 1.009 198 S CB -1.376 61.967 63.200 0.238 0.000 0.916 198 S HN 0.806 nan 8.310 nan 0.000 0.496 199 A N -1.441 121.482 122.820 0.171 0.000 2.308 199 A HA 0.516 4.836 4.320 0.001 0.000 0.217 199 A C 0.272 177.727 177.584 -0.215 0.000 1.216 199 A CA 0.300 52.314 52.037 -0.038 0.000 0.864 199 A CB 0.214 19.136 19.000 -0.131 0.000 0.902 199 A HN 0.536 nan 8.150 nan 0.000 0.499 200 Y N -0.548 119.782 120.300 0.051 0.000 2.602 200 Y HA 0.565 5.116 4.550 0.001 0.000 0.330 200 Y C 0.935 176.835 175.900 0.001 0.000 1.114 200 Y CA -0.079 58.038 58.100 0.028 0.000 1.182 200 Y CB 1.573 40.050 38.460 0.027 0.000 1.305 200 Y HN 0.123 nan 8.280 nan 0.000 0.502 201 T N -2.732 111.918 114.554 0.161 0.000 2.888 201 T HA 0.394 4.745 4.350 0.001 0.000 0.288 201 T C 0.450 175.181 174.700 0.051 0.000 1.063 201 T CA -0.849 61.290 62.100 0.065 0.000 1.010 201 T CB 0.767 69.657 68.868 0.037 0.000 1.214 201 T HN 0.588 nan 8.240 nan 0.000 0.533 202 L N 0.605 121.832 121.223 0.008 0.000 2.191 202 L HA 0.052 4.393 4.340 0.001 0.000 0.212 202 L C 3.045 179.924 176.870 0.015 0.000 1.103 202 L CA 1.332 56.170 54.840 -0.003 0.000 0.769 202 L CB -0.760 41.287 42.059 -0.019 0.000 0.908 202 L HN 0.950 nan 8.230 nan 0.000 0.438 203 A N -0.656 122.180 122.820 0.027 0.000 2.125 203 A HA -0.187 4.133 4.320 0.001 0.000 0.219 203 A C 1.588 179.204 177.584 0.052 0.000 1.156 203 A CA 1.474 53.531 52.037 0.033 0.000 0.671 203 A CB -0.320 18.698 19.000 0.030 0.000 0.794 203 A HN 0.357 nan 8.150 nan 0.000 0.459 204 D N -0.193 120.256 120.400 0.083 0.000 2.328 204 D HA 0.271 4.911 4.640 0.001 0.000 0.226 204 D C 1.829 178.164 176.300 0.059 0.000 1.066 204 D CA 0.754 54.827 54.000 0.122 0.000 0.861 204 D CB 0.112 41.087 40.800 0.292 0.000 0.912 204 D HN 0.441 nan 8.370 nan 0.000 0.521 205 A N 1.008 123.844 122.820 0.026 0.000 1.908 205 A HA -0.101 4.219 4.320 0.001 0.000 0.218 205 A C 2.351 179.934 177.584 -0.002 0.000 1.181 205 A CA 1.955 53.991 52.037 -0.002 0.000 0.627 205 A CB -0.957 18.041 19.000 -0.005 0.000 0.818 205 A HN 0.315 nan 8.150 nan 0.000 0.445 206 G N -0.681 108.126 108.800 0.011 0.000 2.418 206 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 206 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 206 G C 1.707 176.614 174.900 0.013 0.000 1.158 206 G CA 1.271 46.377 45.100 0.010 0.000 0.771 206 G HN 0.529 nan 8.290 nan 0.000 0.545 207 R N 0.360 120.877 120.500 0.029 0.000 2.066 207 R HA 0.133 4.474 4.340 0.001 0.000 0.232 207 R C 2.532 178.833 176.300 0.003 0.000 1.131 207 R CA 1.054 57.177 56.100 0.038 0.000 0.955 207 R CB -0.766 29.587 30.300 0.088 0.000 0.851 207 R HN 0.386 nan 8.270 nan 0.000 0.432 208 L N -0.052 121.148 121.223 -0.039 0.000 2.141 208 L HA -0.057 4.283 4.340 0.001 0.000 0.209 208 L C 2.673 179.513 176.870 -0.050 0.000 1.094 208 L CA 1.399 56.181 54.840 -0.097 0.000 0.763 208 L CB -0.412 41.546 42.059 -0.168 0.000 0.908 208 L HN 0.237 nan 8.230 nan 0.000 0.437 209 R N 0.265 120.746 120.500 -0.031 0.000 2.152 209 R HA -0.175 4.166 4.340 0.001 0.000 0.232 209 R C 2.140 178.425 176.300 -0.026 0.000 1.117 209 R CA 1.148 57.233 56.100 -0.026 0.000 0.981 209 R CB -0.026 30.261 30.300 -0.021 0.000 0.870 209 R HN 0.467 nan 8.270 nan 0.000 0.451 210 Q N 0.040 119.835 119.800 -0.008 0.000 2.437 210 Q HA -0.106 4.234 4.340 0.001 0.000 0.210 210 Q C 1.800 177.825 176.000 0.042 0.000 0.972 210 Q CA 0.793 56.600 55.803 0.006 0.000 0.903 210 Q CB 0.097 28.858 28.738 0.038 0.000 0.967 210 Q HN 0.428 nan 8.270 nan 0.000 0.486 211 L N 0.222 121.473 121.223 0.046 0.000 2.395 211 L HA -0.118 4.223 4.340 0.001 0.000 0.218 211 L C 1.352 178.243 176.870 0.035 0.000 1.130 211 L CA 0.309 55.218 54.840 0.115 0.000 0.826 211 L CB -0.185 41.900 42.059 0.044 0.000 0.941 211 L HN 0.097 nan 8.230 nan 0.000 0.451 212 D N 0.898 121.270 120.400 -0.047 0.000 2.149 212 D HA -0.233 4.407 4.640 0.001 0.000 0.198 212 D C 1.954 178.165 176.300 -0.148 0.000 0.990 212 D CA 1.539 55.495 54.000 -0.073 0.000 0.839 212 D CB -0.040 40.720 40.800 -0.067 0.000 0.948 212 D HN 0.571 nan 8.370 nan 0.000 0.460 213 E N -0.433 119.582 120.200 -0.307 0.000 2.409 213 E HA -0.174 4.176 4.350 0.001 0.000 0.198 213 E C 0.905 177.194 176.600 -0.519 0.000 1.024 213 E CA 0.698 56.835 56.400 -0.438 0.000 0.861 213 E CB -0.440 28.926 29.700 -0.556 0.000 0.788 213 E HN 0.439 nan 8.360 nan 0.000 0.521 214 Y N 1.245 121.522 120.300 -0.037 0.000 2.468 214 Y HA 0.115 4.665 4.550 0.001 0.000 0.268 214 Y C -0.182 175.694 175.900 -0.041 0.000 1.177 214 Y CA -0.279 57.798 58.100 -0.039 0.000 1.265 214 Y CB 0.305 38.736 38.460 -0.049 0.000 1.103 214 Y HN -0.097 nan 8.280 nan 0.000 0.522 215 D N 0.880 121.296 120.400 0.027 0.000 2.697 215 D HA -0.202 4.438 4.640 0.001 0.000 0.238 215 D C -0.421 175.878 176.300 -0.001 0.000 1.152 215 D CA 0.616 54.620 54.000 0.006 0.000 0.666 215 D CB -1.275 39.528 40.800 0.004 0.000 1.037 215 D HN 0.373 nan 8.370 nan 0.000 0.423 216 L N 0.020 121.238 121.223 -0.008 0.000 2.461 216 L HA 0.051 4.391 4.340 0.001 0.000 0.272 216 L C 2.195 179.011 176.870 -0.090 0.000 1.197 216 L CA 0.006 54.805 54.840 -0.069 0.000 0.836 216 L CB 0.437 42.453 42.059 -0.072 0.000 1.105 216 L HN -0.043 nan 8.230 nan 0.000 0.477 217 T N 0.723 115.165 114.554 -0.187 0.000 2.904 217 T HA -0.034 4.316 4.350 0.001 0.000 0.267 217 T C -0.493 174.180 174.700 -0.044 0.000 1.059 217 T CA 1.305 63.315 62.100 -0.150 0.000 1.137 217 T CB -0.120 68.607 68.868 -0.235 0.000 0.879 217 T HN 0.605 nan 8.240 nan 0.000 0.467 218 Y N -1.975 118.317 120.300 -0.013 0.000 2.732 218 Y HA 0.603 5.153 4.550 0.001 0.000 0.342 218 Y C -1.942 173.968 175.900 0.016 0.000 1.203 218 Y CA -2.270 55.840 58.100 0.016 0.000 1.092 218 Y CB 0.483 38.977 38.460 0.055 0.000 1.345 218 Y HN -0.153 nan 8.280 nan 0.000 0.458 219 I N 2.042 122.775 120.570 0.272 0.000 2.362 219 I HA 0.316 4.486 4.170 0.001 0.000 0.289 219 I C -0.448 175.841 176.117 0.286 0.000 0.994 219 I CA -0.655 60.768 61.300 0.205 0.000 1.158 219 I CB 1.788 39.834 38.000 0.076 0.000 1.315 219 I HN 0.673 nan 8.210 nan 0.000 0.451 220 E N 5.745 126.138 120.200 0.322 0.000 2.229 220 E HA 0.094 4.445 4.350 0.001 0.000 0.283 220 E C -0.185 176.543 176.600 0.213 0.000 1.030 220 E CA -0.567 55.997 56.400 0.273 0.000 0.836 220 E CB 0.682 30.591 29.700 0.347 0.000 1.068 220 E HN 0.468 nan 8.360 nan 0.000 0.401 221 Q N 3.825 123.719 119.800 0.156 0.000 2.413 221 Q HA -0.173 4.167 4.340 0.001 0.000 0.364 221 Q C -1.944 174.264 176.000 0.347 0.000 1.359 221 Q CA 0.607 56.526 55.803 0.195 0.000 1.097 221 Q CB -0.119 28.694 28.738 0.124 0.000 1.286 221 Q HN 0.497 nan 8.270 nan 0.000 0.358 222 P HA -0.122 nan 4.420 nan 0.000 0.222 222 P C 0.276 177.729 177.300 0.255 0.000 1.153 222 P CA 1.060 64.327 63.100 0.278 0.000 0.798 222 P CB 0.303 32.055 31.700 0.086 0.000 0.796 223 L N -1.084 120.215 121.223 0.127 0.000 2.902 223 L HA 0.590 4.930 4.340 0.001 0.000 0.229 223 L C 0.942 177.903 176.870 0.152 0.000 1.324 223 L CA -1.527 53.276 54.840 -0.062 0.000 1.230 223 L CB -0.588 41.166 42.059 -0.508 0.000 2.134 223 L HN -0.243 nan 8.230 nan 0.000 0.567 224 A N 0.316 123.177 122.820 0.069 0.000 2.531 224 A HA -0.045 4.276 4.320 0.001 0.000 0.236 224 A C 0.886 178.537 177.584 0.112 0.000 1.062 224 A CA -0.095 51.984 52.037 0.069 0.000 0.760 224 A CB -0.191 18.762 19.000 -0.077 0.000 0.995 224 A HN 0.874 nan 8.150 nan 0.000 0.501 225 W N 2.181 123.516 121.300 0.058 0.000 2.350 225 W HA -0.157 4.504 4.660 0.001 0.000 0.289 225 W C -0.022 176.484 176.519 -0.022 0.000 1.215 225 W CA 1.417 58.764 57.345 0.002 0.000 1.236 225 W CB -0.536 28.883 29.460 -0.068 0.000 1.130 225 W HN 0.747 nan 8.180 nan 0.000 0.541 226 D N 0.183 120.070 120.400 -0.855 0.000 2.388 226 D HA 0.059 4.699 4.640 0.001 0.000 0.221 226 D C -0.762 175.301 176.300 -0.395 0.000 1.133 226 D CA -0.274 53.219 54.000 -0.844 0.000 0.831 226 D CB -0.648 39.226 40.800 -1.543 0.000 0.962 226 D HN 0.160 nan 8.370 nan 0.000 0.502 227 D N -0.236 120.048 120.400 -0.194 0.000 2.163 227 D HA 0.341 4.981 4.640 0.001 0.000 0.248 227 D C 0.733 177.059 176.300 0.045 0.000 1.035 227 D CA -0.655 53.316 54.000 -0.047 0.000 0.872 227 D CB 1.591 42.414 40.800 0.039 0.000 1.183 227 D HN -0.073 nan 8.370 nan 0.000 0.445 228 L N 2.726 123.957 121.223 0.013 0.000 2.624 228 L HA 0.114 4.455 4.340 0.001 0.000 0.222 228 L C 1.991 178.892 176.870 0.052 0.000 1.046 228 L CA -0.161 54.691 54.840 0.021 0.000 0.872 228 L CB -0.013 42.020 42.059 -0.044 0.000 1.190 228 L HN 0.376 nan 8.230 nan 0.000 0.487 229 V N 0.475 120.398 119.914 0.015 0.000 2.295 229 V HA -0.272 3.848 4.120 0.001 0.000 0.246 229 V C 1.975 178.072 176.094 0.004 0.000 1.049 229 V CA 2.087 64.387 62.300 0.001 0.000 1.024 229 V CB -0.373 31.439 31.823 -0.018 0.000 0.648 229 V HN 0.400 nan 8.190 nan 0.000 0.447 230 D N -1.504 118.890 120.400 -0.011 0.000 2.183 230 D HA -0.118 4.522 4.640 0.001 0.000 0.203 230 D C 2.107 178.360 176.300 -0.079 0.000 0.969 230 D CA 0.963 54.929 54.000 -0.058 0.000 0.842 230 D CB -0.328 40.411 40.800 -0.101 0.000 0.957 230 D HN 0.518 nan 8.370 nan 0.000 0.484 231 H N 0.550 119.605 119.070 -0.024 0.000 2.387 231 H HA -0.032 4.524 4.556 0.001 0.000 0.299 231 H C 2.022 177.337 175.328 -0.022 0.000 1.099 231 H CA 1.347 57.383 56.048 -0.019 0.000 1.315 231 H CB 0.065 29.813 29.762 -0.023 0.000 1.380 231 H HN 0.100 nan 8.280 nan 0.000 0.513 232 A N 1.050 123.921 122.820 0.085 0.000 1.933 232 A HA -0.204 4.116 4.320 0.001 0.000 0.218 232 A C 2.371 179.964 177.584 0.015 0.000 1.175 232 A CA 1.852 53.909 52.037 0.034 0.000 0.628 232 A CB -0.276 18.732 19.000 0.013 0.000 0.814 232 A HN 0.370 nan 8.150 nan 0.000 0.444 233 E N -0.169 120.033 120.200 0.003 0.000 2.047 233 E HA -0.165 4.185 4.350 0.001 0.000 0.191 233 E C 1.788 178.382 176.600 -0.010 0.000 0.987 233 E CA 1.327 57.722 56.400 -0.008 0.000 0.799 233 E CB -0.450 29.240 29.700 -0.018 0.000 0.752 233 E HN 0.389 nan 8.360 nan 0.000 0.449 234 L N 0.461 121.672 121.223 -0.020 0.000 2.042 234 L HA -0.058 4.282 4.340 0.001 0.000 0.210 234 L C 2.197 179.067 176.870 0.000 0.000 1.076 234 L CA 2.308 57.135 54.840 -0.021 0.000 0.749 234 L CB -0.982 41.048 42.059 -0.048 0.000 0.893 234 L HN 0.214 nan 8.230 nan 0.000 0.432 235 A N -0.647 122.184 122.820 0.018 0.000 2.070 235 A HA -0.186 4.134 4.320 0.001 0.000 0.220 235 A C 2.351 179.941 177.584 0.010 0.000 1.159 235 A CA 1.543 53.593 52.037 0.021 0.000 0.656 235 A CB -0.550 18.468 19.000 0.030 0.000 0.800 235 A HN 0.546 nan 8.150 nan 0.000 0.453 236 R N -0.896 119.607 120.500 0.005 0.000 2.193 236 R HA 0.040 4.381 4.340 0.001 0.000 0.213 236 R C 1.952 178.251 176.300 -0.002 0.000 1.055 236 R CA 1.009 57.110 56.100 0.002 0.000 0.995 236 R CB -0.091 30.209 30.300 0.000 0.000 0.893 236 R HN 0.465 nan 8.270 nan 0.000 0.459 237 R N 0.382 120.879 120.500 -0.004 0.000 2.265 237 R HA 0.207 4.547 4.340 0.001 0.000 0.194 237 R C 0.867 177.162 176.300 -0.010 0.000 0.931 237 R CA 0.383 56.478 56.100 -0.007 0.000 1.032 237 R CB 0.303 30.597 30.300 -0.010 0.000 0.980 237 R HN 0.209 nan 8.270 nan 0.000 0.497 238 I N -3.434 117.130 120.570 -0.009 0.000 2.934 238 I HA 0.371 4.542 4.170 0.001 0.000 0.306 238 I C 0.340 176.454 176.117 -0.006 0.000 1.110 238 I CA -1.113 60.180 61.300 -0.012 0.000 1.019 238 I CB 2.428 40.417 38.000 -0.018 0.000 1.227 238 I HN -0.242 nan 8.210 nan 0.000 0.434 239 R N 0.873 121.367 120.500 -0.010 0.000 2.223 239 R HA 0.168 4.509 4.340 0.001 0.000 0.198 239 R C 0.135 176.436 176.300 0.002 0.000 0.984 239 R CA 0.224 56.320 56.100 -0.006 0.000 1.018 239 R CB 0.043 30.334 30.300 -0.015 0.000 0.945 239 R HN 0.675 nan 8.270 nan 0.000 0.479 240 T N 3.839 118.394 114.554 0.001 0.000 2.888 240 T HA 0.109 4.460 4.350 0.001 0.000 0.301 240 T C -2.332 172.391 174.700 0.040 0.000 1.001 240 T CA -0.929 61.181 62.100 0.015 0.000 1.147 240 T CB 1.054 69.927 68.868 0.008 0.000 0.931 240 T HN -0.058 nan 8.240 nan 0.000 0.541 241 P HA 0.176 nan 4.420 nan 0.000 0.269 241 P C -0.497 176.876 177.300 0.122 0.000 1.209 241 P CA -0.212 62.940 63.100 0.088 0.000 0.776 241 P CB 0.432 32.200 31.700 0.113 0.000 0.876 242 L N 2.183 123.463 121.223 0.095 0.000 2.325 242 L HA 0.471 4.811 4.340 0.001 0.000 0.279 242 L C 0.249 177.151 176.870 0.054 0.000 1.054 242 L CA -0.672 54.229 54.840 0.102 0.000 0.804 242 L CB 1.440 43.558 42.059 0.098 0.000 1.200 242 L HN 0.425 nan 8.230 nan 0.000 0.436 243 C N 4.810 124.137 119.300 0.044 0.000 2.345 243 C HA 0.585 5.045 4.460 0.001 0.000 0.323 243 C C -0.172 174.757 174.990 -0.102 0.000 1.276 243 C CA -0.725 58.239 59.018 -0.089 0.000 1.543 243 C CB 0.387 27.960 27.740 -0.278 0.000 2.211 243 C HN 0.547 nan 8.230 nan 0.000 0.493 244 L N 5.592 126.714 121.223 -0.169 0.000 2.334 244 L HA 0.478 4.818 4.340 0.001 0.000 0.277 244 L C 0.562 177.334 176.870 -0.164 0.000 1.075 244 L CA 0.632 55.353 54.840 -0.198 0.000 0.804 244 L CB 1.238 43.164 42.059 -0.220 0.000 1.174 244 L HN 0.850 nan 8.230 nan 0.000 0.438 245 D N 0.745 121.083 120.400 -0.103 0.000 3.028 245 D HA -0.003 4.637 4.640 0.001 0.000 0.205 245 D C 1.201 177.505 176.300 0.006 0.000 1.489 245 D CA 0.295 54.267 54.000 -0.046 0.000 1.452 245 D CB 0.394 41.222 40.800 0.047 0.000 1.052 245 D HN 0.437 nan 8.370 nan 0.000 0.221 246 E N 0.223 120.455 120.200 0.054 0.000 2.268 246 E HA -0.053 4.297 4.350 0.001 0.000 0.195 246 E C 1.847 178.504 176.600 0.095 0.000 0.995 246 E CA 1.278 57.719 56.400 0.068 0.000 0.836 246 E CB -0.091 29.659 29.700 0.084 0.000 0.763 246 E HN 0.306 nan 8.360 nan 0.000 0.491 247 S N -0.595 115.114 115.700 0.014 0.000 2.562 247 S HA 0.040 4.511 4.470 0.001 0.000 0.221 247 S C 0.732 175.298 174.600 -0.057 0.000 0.975 247 S CA -0.187 57.985 58.200 -0.046 0.000 0.918 247 S CB 0.276 63.405 63.200 -0.120 0.000 0.772 247 S HN -0.043 nan 8.310 nan 0.000 0.531 248 V N 1.979 121.862 119.914 -0.050 0.000 2.275 248 V HA 0.705 4.826 4.120 0.001 0.000 0.272 248 V C 0.553 176.633 176.094 -0.023 0.000 1.028 248 V CA -0.037 62.228 62.300 -0.057 0.000 0.810 248 V CB 0.439 32.203 31.823 -0.098 0.000 1.043 248 V HN 0.455 nan 8.190 nan 0.000 0.453 249 A N 3.741 126.559 122.820 -0.004 0.000 2.503 249 A HA 0.689 5.009 4.320 0.001 0.000 0.263 249 A C 0.622 178.213 177.584 0.012 0.000 1.258 249 A CA 0.489 52.536 52.037 0.018 0.000 0.936 249 A CB 0.219 19.247 19.000 0.046 0.000 1.070 249 A HN 0.944 nan 8.150 nan 0.000 0.522 250 S N -3.319 112.380 115.700 -0.001 0.000 2.615 250 S HA 0.589 5.059 4.470 0.001 0.000 0.268 250 S C 0.732 175.331 174.600 -0.001 0.000 1.146 250 S CA 0.076 58.279 58.200 0.005 0.000 0.818 250 S CB 0.786 63.992 63.200 0.010 0.000 1.111 250 S HN 1.071 nan 8.310 nan 0.000 0.465 251 A N 1.661 124.488 122.820 0.012 0.000 1.933 251 A HA 0.031 4.351 4.320 0.001 0.000 0.218 251 A C 2.304 179.898 177.584 0.017 0.000 1.175 251 A CA 2.287 54.335 52.037 0.018 0.000 0.628 251 A CB -1.537 17.484 19.000 0.036 0.000 0.814 251 A HN 1.676 nan 8.150 nan 0.000 0.444 252 S N 0.183 115.892 115.700 0.016 0.000 2.402 252 S HA -0.162 4.308 4.470 0.001 0.000 0.229 252 S C 1.372 175.968 174.600 -0.006 0.000 1.021 252 S CA 1.305 59.514 58.200 0.014 0.000 0.974 252 S CB -0.479 62.729 63.200 0.014 0.000 0.800 252 S HN 0.490 nan 8.310 nan 0.000 0.484 253 D N 2.628 123.017 120.400 -0.018 0.000 2.117 253 D HA 0.034 4.675 4.640 0.001 0.000 0.197 253 D C 2.283 178.542 176.300 -0.069 0.000 0.987 253 D CA 1.490 55.466 54.000 -0.041 0.000 0.829 253 D CB -0.730 40.046 40.800 -0.040 0.000 0.961 253 D HN 0.545 nan 8.370 nan 0.000 0.460 254 A N 1.187 123.967 122.820 -0.066 0.000 1.902 254 A HA -0.201 4.120 4.320 0.001 0.000 0.217 254 A C 2.182 179.676 177.584 -0.150 0.000 1.181 254 A CA 1.490 53.462 52.037 -0.108 0.000 0.623 254 A CB -0.434 18.519 19.000 -0.079 0.000 0.818 254 A HN 0.048 nan 8.150 nan 0.000 0.443 255 R N 0.436 120.903 120.500 -0.054 0.000 2.083 255 R HA -0.159 4.182 4.340 0.001 0.000 0.237 255 R C 1.900 178.146 176.300 -0.091 0.000 1.137 255 R CA 2.211 58.311 56.100 -0.000 0.000 0.951 255 R CB -0.475 29.903 30.300 0.129 0.000 0.851 255 R HN 0.597 nan 8.270 nan 0.000 0.434 256 K N -0.059 120.303 120.400 -0.063 0.000 2.057 256 K HA -0.052 4.268 4.320 0.001 0.000 0.207 256 K C 2.207 178.736 176.600 -0.119 0.000 1.049 256 K CA 1.435 57.684 56.287 -0.063 0.000 0.931 256 K CB -0.216 32.259 32.500 -0.042 0.000 0.714 256 K HN 0.236 nan 8.250 nan 0.000 0.440 257 A N 1.433 124.159 122.820 -0.155 0.000 1.883 257 A HA -0.158 4.162 4.320 0.001 0.000 0.217 257 A C 2.140 179.575 177.584 -0.249 0.000 1.186 257 A CA 1.423 53.354 52.037 -0.176 0.000 0.624 257 A CB -0.686 18.205 19.000 -0.182 0.000 0.822 257 A HN 0.160 nan 8.150 nan 0.000 0.444 258 L N -1.096 119.866 121.223 -0.436 0.000 2.109 258 L HA -0.094 4.247 4.340 0.001 0.000 0.207 258 L C 3.041 179.590 176.870 -0.535 0.000 1.086 258 L CA 0.911 55.346 54.840 -0.675 0.000 0.760 258 L CB -0.473 40.766 42.059 -1.367 0.000 0.910 258 L HN 0.420 nan 8.230 nan 0.000 0.437 259 A N -0.057 122.533 122.820 -0.383 0.000 1.969 259 A HA -0.089 4.232 4.320 0.001 0.000 0.218 259 A C 2.189 179.767 177.584 -0.010 0.000 1.169 259 A CA 1.128 53.165 52.037 -0.001 0.000 0.635 259 A CB -0.545 18.539 19.000 0.140 0.000 0.810 259 A HN 0.362 nan 8.150 nan 0.000 0.445 260 L N -1.188 120.002 121.223 -0.055 0.000 2.395 260 L HA 0.090 4.430 4.340 0.001 0.000 0.218 260 L C 1.693 178.544 176.870 -0.031 0.000 1.130 260 L CA 0.622 55.443 54.840 -0.032 0.000 0.826 260 L CB -0.333 41.703 42.059 -0.037 0.000 0.941 260 L HN 0.590 nan 8.230 nan 0.000 0.451 261 G N -0.432 108.334 108.800 -0.057 0.000 2.160 261 G HA2 -0.321 3.640 3.960 0.001 0.000 0.244 261 G HA3 -0.321 3.640 3.960 0.001 0.000 0.244 261 G C 0.948 175.829 174.900 -0.031 0.000 1.022 261 G CA 0.394 45.469 45.100 -0.041 0.000 0.741 261 G HN 0.435 nan 8.290 nan 0.000 0.508 262 A N -1.039 121.752 122.820 -0.048 0.000 2.015 262 A HA 0.567 4.887 4.320 0.001 0.000 0.219 262 A C 1.716 179.285 177.584 -0.024 0.000 1.163 262 A CA 1.958 53.986 52.037 -0.015 0.000 0.646 262 A CB 0.099 19.073 19.000 -0.043 0.000 0.806 262 A HN 2.248 nan 8.150 nan 0.000 0.448 263 G N -4.163 104.596 108.800 -0.068 0.000 2.506 263 G HA2 0.451 4.412 3.960 0.001 0.000 0.292 263 G HA3 0.451 4.412 3.960 0.001 0.000 0.292 263 G C 0.169 175.026 174.900 -0.073 0.000 1.425 263 G CA 0.218 45.284 45.100 -0.056 0.000 0.788 263 G HN 0.677 nan 8.290 nan 0.000 0.490 264 G N -1.429 107.347 108.800 -0.040 0.000 3.228 264 G HA2 0.489 4.449 3.960 0.001 0.000 0.245 264 G HA3 0.489 4.449 3.960 0.001 0.000 0.245 264 G C -0.327 174.553 174.900 -0.033 0.000 1.051 264 G CA 0.403 45.484 45.100 -0.031 0.000 0.809 264 G HN 0.994 nan 8.290 nan 0.000 0.531 265 V N 0.833 120.710 119.914 -0.061 0.000 3.012 265 V HA 0.524 4.644 4.120 0.001 0.000 0.307 265 V C -1.094 174.905 176.094 -0.158 0.000 1.166 265 V CA -0.802 61.451 62.300 -0.078 0.000 0.974 265 V CB 2.416 34.195 31.823 -0.072 0.000 1.040 265 V HN 0.093 nan 8.190 nan 0.000 0.428 266 I N 2.928 123.377 120.570 -0.202 0.000 2.436 266 I HA 0.399 4.570 4.170 0.001 0.000 0.289 266 I C -0.383 175.407 176.117 -0.545 0.000 1.010 266 I CA -0.582 60.539 61.300 -0.298 0.000 1.098 266 I CB 2.010 39.858 38.000 -0.254 0.000 1.266 266 I HN 0.604 nan 8.210 nan 0.000 0.434 267 N N 7.003 125.291 118.700 -0.688 0.000 2.402 267 N HA 0.120 4.861 4.740 0.001 0.000 0.252 267 N C -1.229 173.897 175.510 -0.641 0.000 1.118 267 N CA -0.293 52.049 53.050 -1.179 0.000 0.945 267 N CB 0.768 38.692 38.487 -0.938 0.000 1.147 267 N HN 0.397 nan 8.380 nan 0.000 0.495 268 L N 4.015 124.911 121.223 -0.545 0.000 2.255 268 L HA 0.419 4.760 4.340 0.001 0.000 0.289 268 L C -0.424 176.365 176.870 -0.135 0.000 1.046 268 L CA -0.165 54.532 54.840 -0.239 0.000 0.816 268 L CB 0.258 42.223 42.059 -0.157 0.000 1.197 268 L HN 0.365 nan 8.230 nan 0.000 0.427 269 K N 4.301 124.638 120.400 -0.106 0.000 2.293 269 K HA 0.233 4.553 4.320 0.001 0.000 0.267 269 K C 0.715 177.287 176.600 -0.047 0.000 1.010 269 K CA -0.425 55.819 56.287 -0.071 0.000 0.875 269 K CB 2.263 34.717 32.500 -0.077 0.000 1.106 269 K HN 0.535 nan 8.250 nan 0.000 0.450 270 V N 3.275 123.155 119.914 -0.056 0.000 2.332 270 V HA -0.283 3.837 4.120 0.001 0.000 0.248 270 V C 1.816 177.838 176.094 -0.121 0.000 1.055 270 V CA 2.744 64.980 62.300 -0.107 0.000 1.038 270 V CB -0.150 31.550 31.823 -0.206 0.000 0.651 270 V HN 0.931 nan 8.190 nan 0.000 0.450 271 A N -0.194 122.568 122.820 -0.097 0.000 1.929 271 A HA -0.145 4.175 4.320 0.001 0.000 0.216 271 A C 2.392 179.967 177.584 -0.015 0.000 1.176 271 A CA 1.509 53.505 52.037 -0.068 0.000 0.628 271 A CB -0.677 18.292 19.000 -0.052 0.000 0.816 271 A HN 0.574 nan 8.150 nan 0.000 0.444 272 R N 0.227 120.733 120.500 0.011 0.000 2.105 272 R HA -0.139 4.202 4.340 0.001 0.000 0.239 272 R C 1.687 178.009 176.300 0.037 0.000 1.135 272 R CA 2.050 58.186 56.100 0.061 0.000 0.967 272 R CB -0.312 30.050 30.300 0.104 0.000 0.861 272 R HN 0.540 nan 8.270 nan 0.000 0.442 273 V N -3.600 116.318 119.914 0.007 0.000 3.649 273 V HA 0.400 4.520 4.120 0.001 0.000 0.275 273 V C 0.883 176.979 176.094 0.003 0.000 1.281 273 V CA 0.667 62.970 62.300 0.006 0.000 1.143 273 V CB 0.410 32.231 31.823 -0.004 0.000 0.892 273 V HN 0.439 nan 8.190 nan 0.000 0.441 274 G N -1.487 107.309 108.800 -0.007 0.000 2.163 274 G HA2 0.314 4.275 3.960 0.001 0.000 0.213 274 G HA3 0.314 4.275 3.960 0.001 0.000 0.213 274 G C 0.963 175.845 174.900 -0.030 0.000 0.991 274 G CA -0.033 45.062 45.100 -0.008 0.000 0.653 274 G HN 2.269 nan 8.290 nan 0.000 0.518 275 G N -1.787 106.967 108.800 -0.076 0.000 2.343 275 G HA2 0.227 4.188 3.960 0.001 0.000 0.562 275 G HA3 0.227 4.188 3.960 0.001 0.000 0.562 275 G C 0.225 175.034 174.900 -0.152 0.000 1.269 275 G CA 0.438 45.449 45.100 -0.147 0.000 1.011 275 G HN 0.546 nan 8.290 nan 0.000 0.498 276 H N -0.090 118.933 119.070 -0.079 0.000 2.357 276 H HA 0.041 4.597 4.556 0.001 0.000 0.301 276 H C 3.084 178.317 175.328 -0.158 0.000 1.082 276 H CA 2.414 58.309 56.048 -0.255 0.000 1.342 276 H CB -0.488 28.831 29.762 -0.738 0.000 1.389 276 H HN 0.728 nan 8.280 nan 0.000 0.511 277 A N 1.055 123.986 122.820 0.186 0.000 1.877 277 A HA -0.195 4.125 4.320 0.001 0.000 0.216 277 A C 2.378 180.033 177.584 0.118 0.000 1.186 277 A CA 1.915 54.082 52.037 0.216 0.000 0.620 277 A CB -0.327 18.898 19.000 0.376 0.000 0.822 277 A HN 0.345 nan 8.150 nan 0.000 0.443 278 E N 0.123 120.379 120.200 0.093 0.000 2.150 278 E HA -0.079 4.272 4.350 0.001 0.000 0.193 278 E C 2.143 178.772 176.600 0.049 0.000 0.985 278 E CA 1.373 57.808 56.400 0.060 0.000 0.814 278 E CB -0.225 29.498 29.700 0.039 0.000 0.752 278 E HN 0.498 nan 8.360 nan 0.000 0.466 279 S N -0.049 115.674 115.700 0.038 0.000 2.368 279 S HA -0.155 4.315 4.470 0.001 0.000 0.225 279 S C 1.893 176.549 174.600 0.094 0.000 1.030 279 S CA 1.239 59.472 58.200 0.055 0.000 0.999 279 S CB -0.285 62.947 63.200 0.053 0.000 0.844 279 S HN 0.282 nan 8.310 nan 0.000 0.459 280 R N 1.160 121.701 120.500 0.068 0.000 2.096 280 R HA -0.026 4.315 4.340 0.001 0.000 0.235 280 R C 2.385 178.764 176.300 0.133 0.000 1.127 280 R CA 1.193 57.333 56.100 0.065 0.000 0.968 280 R CB -0.081 30.220 30.300 0.002 0.000 0.861 280 R HN 0.293 nan 8.270 nan 0.000 0.440 281 R N -0.307 120.253 120.500 0.100 0.000 2.081 281 R HA -0.096 4.244 4.340 0.001 0.000 0.235 281 R C 2.300 178.651 176.300 0.084 0.000 1.131 281 R CA 1.613 57.769 56.100 0.093 0.000 0.960 281 R CB -0.402 29.941 30.300 0.073 0.000 0.856 281 R HN 0.093 nan 8.270 nan 0.000 0.436 282 V N 0.448 120.401 119.914 0.066 0.000 2.287 282 V HA -0.307 3.813 4.120 0.001 0.000 0.248 282 V C 2.264 178.372 176.094 0.024 0.000 1.053 282 V CA 2.332 64.648 62.300 0.028 0.000 1.027 282 V CB -0.710 31.110 31.823 -0.005 0.000 0.646 282 V HN 0.451 nan 8.190 nan 0.000 0.447 283 H N 0.385 119.417 119.070 -0.064 0.000 2.319 283 H HA -0.209 4.347 4.556 0.001 0.000 0.297 283 H C 1.995 177.297 175.328 -0.043 0.000 1.097 283 H CA 2.323 58.305 56.048 -0.110 0.000 1.285 283 H CB -0.090 29.631 29.762 -0.068 0.000 1.368 283 H HN 0.417 nan 8.280 nan 0.000 0.495 284 D N -0.229 120.235 120.400 0.107 0.000 2.149 284 D HA -0.102 4.539 4.640 0.001 0.000 0.201 284 D C 2.481 178.793 176.300 0.019 0.000 0.972 284 D CA 1.078 55.112 54.000 0.056 0.000 0.835 284 D CB -0.280 40.603 40.800 0.138 0.000 0.966 284 D HN 0.309 nan 8.370 nan 0.000 0.476 285 V N 1.602 121.548 119.914 0.054 0.000 2.295 285 V HA -0.254 3.866 4.120 0.001 0.000 0.246 285 V C 2.558 178.758 176.094 0.175 0.000 1.049 285 V CA 1.893 64.263 62.300 0.117 0.000 1.024 285 V CB -0.827 31.070 31.823 0.123 0.000 0.648 285 V HN 0.180 nan 8.190 nan 0.000 0.447 286 A N -0.411 122.434 122.820 0.042 0.000 1.883 286 A HA -0.330 3.991 4.320 0.001 0.000 0.217 286 A C 2.187 179.780 177.584 0.016 0.000 1.186 286 A CA 2.324 54.365 52.037 0.006 0.000 0.624 286 A CB -0.645 18.279 19.000 -0.127 0.000 0.822 286 A HN 0.549 nan 8.150 nan 0.000 0.444 287 Q N 0.868 120.606 119.800 -0.104 0.000 2.135 287 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 287 Q C 2.137 178.122 176.000 -0.025 0.000 0.981 287 Q CA 2.528 58.266 55.803 -0.109 0.000 0.856 287 Q CB -0.573 28.041 28.738 -0.206 0.000 0.902 287 Q HN 0.751 nan 8.270 nan 0.000 0.425 288 S N -1.365 114.332 115.700 -0.006 0.000 2.447 288 S HA -0.082 4.389 4.470 0.001 0.000 0.233 288 S C 1.416 175.937 174.600 -0.132 0.000 1.006 288 S CA 0.734 58.892 58.200 -0.070 0.000 0.957 288 S CB -0.506 62.627 63.200 -0.111 0.000 0.773 288 S HN 0.416 nan 8.310 nan 0.000 0.507 289 F N 1.980 121.902 119.950 -0.047 0.000 2.765 289 F HA 0.377 4.904 4.527 0.001 0.000 0.302 289 F C 1.836 177.614 175.800 -0.037 0.000 1.111 289 F CA 0.162 58.139 58.000 -0.038 0.000 1.359 289 F CB -0.159 38.816 39.000 -0.041 0.000 1.097 289 F HN 0.381 nan 8.300 nan 0.000 0.577 290 G N 1.259 110.119 108.800 0.099 0.000 2.273 290 G HA2 -0.087 3.874 3.960 0.001 0.000 0.280 290 G HA3 -0.087 3.874 3.960 0.001 0.000 0.280 290 G C -0.048 174.883 174.900 0.052 0.000 1.047 290 G CA 0.108 45.239 45.100 0.051 0.000 0.869 290 G HN 0.655 nan 8.290 nan 0.000 0.502 291 A N 0.385 123.231 122.820 0.044 0.000 2.342 291 A HA 0.940 5.261 4.320 0.001 0.000 0.323 291 A C -1.908 175.651 177.584 -0.043 0.000 1.125 291 A CA -1.548 50.491 52.037 0.003 0.000 0.785 291 A CB 2.281 21.268 19.000 -0.022 0.000 1.221 291 A HN 0.206 nan 8.150 nan 0.000 0.463 292 P HA 0.448 nan 4.420 nan 0.000 0.279 292 P C -0.272 176.978 177.300 -0.083 0.000 1.252 292 P CA -0.174 62.901 63.100 -0.041 0.000 0.811 292 P CB 1.473 33.199 31.700 0.043 0.000 1.035 293 V N -0.968 118.840 119.914 -0.175 0.000 3.019 293 V HA 0.847 4.967 4.120 0.001 0.000 0.317 293 V C -0.815 175.234 176.094 -0.074 0.000 1.094 293 V CA -0.840 61.297 62.300 -0.272 0.000 1.000 293 V CB 2.194 33.687 31.823 -0.551 0.000 1.060 293 V HN 0.804 nan 8.190 nan 0.000 0.443 294 W N 0.180 121.401 121.300 -0.132 0.000 3.083 294 W HA 0.644 5.304 4.660 0.000 0.000 0.333 294 W C -1.313 175.364 176.519 0.262 0.000 1.217 294 W CA -1.423 56.006 57.345 0.139 0.000 1.170 294 W CB 1.117 30.649 29.460 0.120 0.000 1.437 294 W HN 0.862 nan 8.180 nan 0.000 0.557 295 C N 3.163 122.829 119.300 0.611 0.000 2.349 295 C HA 0.644 5.104 4.460 0.001 0.000 0.348 295 C C 1.179 176.289 174.990 0.200 0.000 1.223 295 C CA 0.544 59.769 59.018 0.345 0.000 1.746 295 C CB -1.038 26.838 27.740 0.227 0.000 2.360 295 C HN 0.784 nan 8.230 nan 0.000 0.533 296 G N 4.203 112.934 108.800 -0.114 0.000 2.572 296 G HA2 0.561 4.521 3.960 0.001 0.000 0.261 296 G HA3 0.561 4.521 3.960 0.001 0.000 0.261 296 G C 0.103 175.005 174.900 0.004 0.000 1.197 296 G CA 0.114 45.153 45.100 -0.103 0.000 0.870 296 G HN 1.164 nan 8.290 nan 0.000 0.548 297 G N -0.869 107.940 108.800 0.017 0.000 2.498 297 G HA2 0.514 4.474 3.960 0.001 0.000 0.312 297 G HA3 0.514 4.474 3.960 0.001 0.000 0.312 297 G C -0.176 174.654 174.900 -0.116 0.000 1.230 297 G CA -0.646 44.433 45.100 -0.035 0.000 0.968 297 G HN 0.392 nan 8.290 nan 0.000 0.481 298 M N 2.160 121.677 119.600 -0.138 0.000 3.181 298 M HA 0.292 4.772 4.480 0.001 0.000 0.422 298 M C 0.436 176.660 176.300 -0.127 0.000 1.481 298 M CA -0.327 54.871 55.300 -0.170 0.000 0.783 298 M CB -0.073 32.416 32.600 -0.185 0.000 1.437 298 M HN 0.651 nan 8.290 nan 0.000 0.505 299 L N 1.504 122.610 121.223 -0.195 0.000 3.597 299 L HA -0.254 4.086 4.340 0.001 0.000 0.440 299 L C -0.545 176.321 176.870 -0.006 0.000 1.277 299 L CA 0.493 55.178 54.840 -0.259 0.000 0.852 299 L CB -0.448 41.517 42.059 -0.158 0.000 1.708 299 L HN 0.401 nan 8.230 nan 0.000 0.885 300 E N 0.141 120.339 120.200 -0.003 0.000 2.366 300 E HA 0.355 4.705 4.350 0.001 0.000 0.266 300 E C 0.662 177.468 176.600 0.344 0.000 1.051 300 E CA 0.465 56.950 56.400 0.141 0.000 0.884 300 E CB 0.896 30.629 29.700 0.055 0.000 1.006 300 E HN 0.431 nan 8.360 nan 0.000 0.417 301 S N 1.068 116.869 115.700 0.169 0.000 2.612 301 S HA 0.095 4.565 4.470 0.001 0.000 0.253 301 S C 1.479 176.079 174.600 0.001 0.000 1.346 301 S CA -0.196 57.932 58.200 -0.120 0.000 0.976 301 S CB 0.753 63.744 63.200 -0.347 0.000 0.949 301 S HN 0.636 nan 8.310 nan 0.000 0.584 302 G N 0.112 108.877 108.800 -0.058 0.000 2.448 302 G HA2 -0.088 3.872 3.960 0.001 0.000 0.219 302 G HA3 -0.088 3.872 3.960 0.001 0.000 0.219 302 G C 1.249 176.135 174.900 -0.024 0.000 1.127 302 G CA 0.717 45.816 45.100 -0.001 0.000 0.766 302 G HN 0.604 nan 8.290 nan 0.000 0.552 303 I N 1.770 122.313 120.570 -0.045 0.000 2.113 303 I HA -0.092 4.078 4.170 0.001 0.000 0.238 303 I C 3.052 179.145 176.117 -0.040 0.000 1.070 303 I CA 1.616 62.877 61.300 -0.065 0.000 1.332 303 I CB -1.564 36.417 38.000 -0.032 0.000 1.044 303 I HN 0.228 nan 8.210 nan 0.000 0.402 304 G N 0.204 109.029 108.800 0.042 0.000 2.422 304 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 304 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 304 G C 1.928 176.877 174.900 0.082 0.000 1.146 304 G CA 0.655 45.816 45.100 0.102 0.000 0.769 304 G HN 0.302 nan 8.290 nan 0.000 0.547 305 R N 0.395 120.927 120.500 0.053 0.000 2.081 305 R HA 0.038 4.379 4.340 0.001 0.000 0.235 305 R C 2.868 179.194 176.300 0.043 0.000 1.131 305 R CA 1.401 57.531 56.100 0.050 0.000 0.960 305 R CB -0.319 30.022 30.300 0.068 0.000 0.856 305 R HN 0.291 nan 8.270 nan 0.000 0.436 306 A N 0.413 123.244 122.820 0.018 0.000 1.898 306 A HA -0.178 4.143 4.320 0.001 0.000 0.216 306 A C 1.858 179.501 177.584 0.097 0.000 1.181 306 A CA 1.377 53.430 52.037 0.028 0.000 0.620 306 A CB -0.795 18.194 19.000 -0.019 0.000 0.819 306 A HN 0.411 nan 8.150 nan 0.000 0.442 307 H N 0.406 119.555 119.070 0.131 0.000 2.319 307 H HA -0.122 4.435 4.556 0.001 0.000 0.297 307 H C 1.961 177.385 175.328 0.160 0.000 1.097 307 H CA 1.838 57.995 56.048 0.182 0.000 1.285 307 H CB -0.260 29.611 29.762 0.182 0.000 1.368 307 H HN 0.437 nan 8.280 nan 0.000 0.495 308 N N 0.628 119.437 118.700 0.182 0.000 2.120 308 N HA -0.095 4.646 4.740 0.001 0.000 0.188 308 N C 2.268 177.759 175.510 -0.031 0.000 1.024 308 N CA 0.671 53.758 53.050 0.061 0.000 0.852 308 N CB -0.414 38.093 38.487 0.034 0.000 1.003 308 N HN 0.347 nan 8.380 nan 0.000 0.424 309 I N 0.534 121.087 120.570 -0.028 0.000 2.226 309 I HA -0.263 3.907 4.170 0.001 0.000 0.245 309 I C 2.191 178.182 176.117 -0.210 0.000 1.100 309 I CA 1.055 62.278 61.300 -0.128 0.000 1.374 309 I CB -0.295 37.624 38.000 -0.135 0.000 1.057 309 I HN 0.262 nan 8.210 nan 0.000 0.413 310 H N 0.045 119.050 119.070 -0.109 0.000 2.353 310 H HA -0.174 4.382 4.556 0.000 0.000 0.300 310 H C 2.182 177.374 175.328 -0.228 0.000 1.090 310 H CA 1.713 57.670 56.048 -0.152 0.000 1.327 310 H CB -0.191 29.484 29.762 -0.146 0.000 1.383 310 H HN 0.221 nan 8.280 nan 0.000 0.508 311 L N 0.851 122.012 121.223 -0.104 0.000 2.083 311 L HA -0.111 4.230 4.340 0.001 0.000 0.209 311 L C 2.164 178.655 176.870 -0.631 0.000 1.083 311 L CA 1.379 56.079 54.840 -0.234 0.000 0.752 311 L CB -0.490 41.539 42.059 -0.050 0.000 0.899 311 L HN -0.035 nan 8.230 nan 0.000 0.433 312 S N -1.169 114.094 115.700 -0.728 0.000 2.547 312 S HA -0.121 4.349 4.470 0.001 0.000 0.235 312 S C 1.718 176.012 174.600 -0.510 0.000 0.980 312 S CA 1.112 58.701 58.200 -1.017 0.000 0.941 312 S CB -0.750 62.144 63.200 -0.510 0.000 0.763 312 S HN 0.794 nan 8.310 nan 0.000 0.532 313 T N -0.278 114.076 114.554 -0.333 0.000 3.113 313 T HA 0.139 4.490 4.350 0.001 0.000 0.263 313 T C 0.502 175.123 174.700 -0.132 0.000 1.143 313 T CA 0.063 62.049 62.100 -0.191 0.000 1.090 313 T CB -0.396 68.374 68.868 -0.163 0.000 0.922 313 T HN -0.005 nan 8.240 nan 0.000 0.521 314 L N 2.903 124.067 121.223 -0.098 0.000 2.452 314 L HA 0.290 4.630 4.340 0.001 0.000 0.267 314 L C 1.873 178.894 176.870 0.252 0.000 1.188 314 L CA 0.294 55.134 54.840 0.001 0.000 0.821 314 L CB 0.856 42.770 42.059 -0.241 0.000 1.102 314 L HN 0.330 nan 8.230 nan 0.000 0.470 315 S N 0.142 115.992 115.700 0.250 0.000 2.453 315 S HA -0.110 4.361 4.470 0.001 0.000 0.231 315 S C 1.221 175.979 174.600 0.263 0.000 1.005 315 S CA 0.945 59.267 58.200 0.204 0.000 0.949 315 S CB -0.483 62.789 63.200 0.119 0.000 0.774 315 S HN 0.759 nan 8.310 nan 0.000 0.510 316 N N -0.175 118.780 118.700 0.425 0.000 2.322 316 N HA 0.120 4.860 4.740 0.001 0.000 0.194 316 N C -0.967 174.552 175.510 0.015 0.000 1.126 316 N CA -0.223 52.828 53.050 0.003 0.000 0.845 316 N CB 0.007 38.145 38.487 -0.582 0.000 0.976 316 N HN 0.327 nan 8.380 nan 0.000 0.475 317 F N 1.332 121.407 119.950 0.209 0.000 2.678 317 F HA 0.213 4.741 4.527 0.001 0.000 0.358 317 F C 1.330 177.208 175.800 0.131 0.000 1.256 317 F CA -0.054 58.047 58.000 0.168 0.000 1.278 317 F CB 0.254 39.338 39.000 0.139 0.000 1.681 317 F HN -0.115 nan 8.300 nan 0.000 0.661 318 R N 1.080 121.696 120.500 0.194 0.000 2.334 318 R HA 0.306 4.647 4.340 0.001 0.000 0.216 318 R C -0.177 176.209 176.300 0.143 0.000 0.905 318 R CA 0.123 56.308 56.100 0.143 0.000 1.064 318 R CB 0.396 30.747 30.300 0.086 0.000 1.046 318 R HN 0.393 nan 8.270 nan 0.000 0.508 319 L N 0.519 121.862 121.223 0.200 0.000 2.341 319 L HA 0.511 4.851 4.340 0.001 0.000 0.267 319 L C -2.436 174.548 176.870 0.190 0.000 1.009 319 L CA -2.671 52.262 54.840 0.155 0.000 0.819 319 L CB 2.028 44.171 42.059 0.140 0.000 1.323 319 L HN -0.266 nan 8.230 nan 0.000 0.425 320 P HA 0.162 nan 4.420 nan 0.000 0.272 320 P C -0.472 176.935 177.300 0.178 0.000 1.223 320 P CA -0.185 62.979 63.100 0.106 0.000 0.784 320 P CB 0.687 32.408 31.700 0.035 0.000 0.923 321 G N 0.323 109.267 108.800 0.241 0.000 2.471 321 G HA2 0.286 4.246 3.960 0.001 0.000 0.332 321 G HA3 0.286 4.246 3.960 0.001 0.000 0.332 321 G C -0.739 174.318 174.900 0.261 0.000 1.176 321 G CA -0.470 44.844 45.100 0.356 0.000 0.949 321 G HN 0.304 nan 8.290 nan 0.000 0.488 322 D N 1.152 121.742 120.400 0.317 0.000 2.845 322 D HA 0.177 4.818 4.640 0.001 0.000 0.235 322 D C 0.888 177.274 176.300 0.142 0.000 1.158 322 D CA 0.160 54.288 54.000 0.213 0.000 0.990 322 D CB 0.210 41.151 40.800 0.236 0.000 1.094 322 D HN 0.388 nan 8.370 nan 0.000 0.486 323 T N -2.492 112.144 114.554 0.138 0.000 3.516 323 T HA 0.244 4.595 4.350 0.001 0.000 0.245 323 T C 0.662 175.444 174.700 0.136 0.000 1.077 323 T CA -0.761 61.401 62.100 0.103 0.000 1.222 323 T CB -0.039 68.867 68.868 0.062 0.000 1.045 323 T HN 0.037 nan 8.240 nan 0.000 0.585 324 S N 1.000 116.822 115.700 0.204 0.000 2.641 324 S HA 0.489 4.959 4.470 0.001 0.000 0.261 324 S C 0.429 175.179 174.600 0.249 0.000 1.257 324 S CA -0.622 57.728 58.200 0.249 0.000 0.983 324 S CB 0.331 63.723 63.200 0.319 0.000 0.990 324 S HN 0.430 nan 8.310 nan 0.000 0.572 325 S N 0.885 116.701 115.700 0.193 0.000 2.546 325 S HA 0.313 4.783 4.470 0.001 0.000 0.290 325 S C 1.563 176.308 174.600 0.241 0.000 1.290 325 S CA -0.137 58.156 58.200 0.154 0.000 1.069 325 S CB 0.461 63.710 63.200 0.080 0.000 0.846 325 S HN 0.955 nan 8.310 nan 0.000 0.495 326 A N 3.455 126.424 122.820 0.249 0.000 1.940 326 A HA -0.125 4.196 4.320 0.001 0.000 0.219 326 A C 2.294 180.066 177.584 0.313 0.000 1.176 326 A CA 1.816 54.075 52.037 0.371 0.000 0.631 326 A CB -1.008 18.183 19.000 0.318 0.000 0.814 326 A HN 0.939 nan 8.150 nan 0.000 0.446 327 S N -0.256 115.541 115.700 0.162 0.000 2.500 327 S HA -0.138 4.332 4.470 0.001 0.000 0.239 327 S C 1.737 176.319 174.600 -0.030 0.000 0.989 327 S CA 1.027 59.277 58.200 0.083 0.000 0.951 327 S CB -0.451 62.776 63.200 0.044 0.000 0.759 327 S HN 0.651 nan 8.310 nan 0.000 0.523 328 R N -0.630 119.786 120.500 -0.141 0.000 2.189 328 R HA 0.077 4.418 4.340 0.001 0.000 0.218 328 R C 1.234 177.146 176.300 -0.646 0.000 1.074 328 R CA 1.368 57.213 56.100 -0.424 0.000 0.991 328 R CB -0.241 29.679 30.300 -0.633 0.000 0.883 328 R HN 0.603 nan 8.270 nan 0.000 0.457 329 Y N -2.241 117.897 120.300 -0.269 0.000 2.559 329 Y HA 0.135 4.685 4.550 0.000 0.000 0.279 329 Y C 0.336 175.827 175.900 -0.681 0.000 1.117 329 Y CA -0.361 57.354 58.100 -0.641 0.000 1.263 329 Y CB 0.487 38.321 38.460 -1.043 0.000 1.230 329 Y HN -0.064 nan 8.280 nan 0.000 0.528 330 W N 1.513 122.902 121.300 0.148 0.000 2.656 330 W HA 0.321 4.982 4.660 0.001 0.000 0.327 330 W C 0.692 177.233 176.519 0.036 0.000 1.041 330 W CA -1.022 56.379 57.345 0.093 0.000 1.229 330 W CB 1.334 30.859 29.460 0.108 0.000 1.397 330 W HN -0.111 nan 8.180 nan 0.000 0.479 331 E N 1.313 121.666 120.200 0.255 0.000 2.049 331 E HA -0.194 4.157 4.350 0.001 0.000 0.198 331 E C 0.355 177.006 176.600 0.085 0.000 1.007 331 E CA 1.366 57.844 56.400 0.130 0.000 0.809 331 E CB -0.049 29.718 29.700 0.112 0.000 0.749 331 E HN 0.409 nan 8.360 nan 0.000 0.450 332 R N 0.126 120.680 120.500 0.091 0.000 2.564 332 R HA 0.223 4.563 4.340 0.001 0.000 0.284 332 R C -1.473 174.799 176.300 -0.047 0.000 1.031 332 R CA -0.597 55.429 56.100 -0.123 0.000 0.904 332 R CB 1.456 31.450 30.300 -0.510 0.000 1.199 332 R HN -0.003 nan 8.270 nan 0.000 0.443 333 D N 2.603 122.962 120.400 -0.069 0.000 2.387 333 D HA 0.166 4.807 4.640 0.001 0.000 0.251 333 D C 1.001 177.294 176.300 -0.013 0.000 1.141 333 D CA -0.341 53.606 54.000 -0.088 0.000 0.987 333 D CB 1.300 42.084 40.800 -0.027 0.000 1.116 333 D HN 0.546 nan 8.370 nan 0.000 0.491 334 L N 1.050 122.258 121.223 -0.024 0.000 2.554 334 L HA 0.148 4.488 4.340 0.001 0.000 0.226 334 L C 0.904 177.806 176.870 0.053 0.000 1.137 334 L CA 0.199 55.092 54.840 0.087 0.000 0.863 334 L CB -0.422 41.601 42.059 -0.060 0.000 0.985 334 L HN 0.328 nan 8.230 nan 0.000 0.451 335 I N -4.693 115.879 120.570 0.003 0.000 2.863 335 I HA 0.231 4.402 4.170 0.001 0.000 0.311 335 I C 0.712 176.827 176.117 -0.004 0.000 1.026 335 I CA -0.769 60.530 61.300 -0.001 0.000 1.077 335 I CB 1.281 39.272 38.000 -0.016 0.000 1.262 335 I HN -0.108 nan 8.210 nan 0.000 0.461 336 Q N 0.707 120.506 119.800 -0.002 0.000 2.311 336 Q HA 0.042 4.382 4.340 0.001 0.000 0.203 336 Q C -0.418 175.575 176.000 -0.012 0.000 0.954 336 Q CA 0.934 56.732 55.803 -0.008 0.000 0.885 336 Q CB 0.098 28.836 28.738 -0.001 0.000 0.963 336 Q HN 0.637 nan 8.270 nan 0.000 0.471 337 E N 1.844 122.040 120.200 -0.008 0.000 2.197 337 E HA 0.179 4.529 4.350 0.001 0.000 0.281 337 E C -2.395 174.206 176.600 0.002 0.000 0.995 337 E CA -2.260 54.138 56.400 -0.004 0.000 0.808 337 E CB 0.843 30.542 29.700 -0.002 0.000 1.093 337 E HN 0.000 nan 8.360 nan 0.000 0.394 338 P HA 0.110 nan 4.420 nan 0.000 0.276 338 P C -0.811 176.502 177.300 0.022 0.000 1.235 338 P CA -0.151 62.959 63.100 0.016 0.000 0.772 338 P CB 0.663 32.368 31.700 0.008 0.000 0.871 339 L N 3.806 125.055 121.223 0.043 0.000 2.321 339 L HA 0.361 4.701 4.340 0.001 0.000 0.272 339 L C 0.441 177.344 176.870 0.055 0.000 1.050 339 L CA -0.174 54.692 54.840 0.044 0.000 0.893 339 L CB 0.630 42.724 42.059 0.058 0.000 1.272 339 L HN 0.211 nan 8.230 nan 0.000 0.435 340 E N 2.787 123.005 120.200 0.030 0.000 2.218 340 E HA 0.518 4.869 4.350 0.001 0.000 0.263 340 E C -0.624 175.976 176.600 -0.000 0.000 0.879 340 E CA -0.476 55.938 56.400 0.023 0.000 0.762 340 E CB 2.643 32.350 29.700 0.013 0.000 1.166 340 E HN 0.504 nan 8.360 nan 0.000 0.415 341 A N 2.392 125.208 122.820 -0.006 0.000 2.340 341 A HA 0.566 4.887 4.320 0.001 0.000 0.268 341 A C -0.176 177.360 177.584 -0.081 0.000 1.100 341 A CA -0.434 51.577 52.037 -0.044 0.000 0.803 341 A CB 0.710 19.680 19.000 -0.050 0.000 1.043 341 A HN 0.325 nan 8.150 nan 0.000 0.488 342 V N 2.117 121.977 119.914 -0.090 0.000 2.577 342 V HA 0.378 4.499 4.120 0.001 0.000 0.303 342 V C -0.088 175.937 176.094 -0.116 0.000 1.042 342 V CA 0.229 62.472 62.300 -0.096 0.000 0.872 342 V CB 1.330 33.117 31.823 -0.060 0.000 0.998 342 V HN 1.153 nan 8.190 nan 0.000 0.423 343 D N 4.054 124.366 120.400 -0.146 0.000 2.708 343 D HA -0.167 4.474 4.640 0.001 0.000 0.236 343 D C 1.200 177.407 176.300 -0.155 0.000 1.146 343 D CA 2.092 56.010 54.000 -0.137 0.000 0.662 343 D CB -1.048 39.705 40.800 -0.078 0.000 1.059 343 D HN 1.665 nan 8.370 nan 0.000 0.428 344 G N -1.326 107.322 108.800 -0.254 0.000 2.148 344 G HA2 -0.276 3.685 3.960 0.001 0.000 0.254 344 G HA3 -0.276 3.685 3.960 0.001 0.000 0.254 344 G C 0.228 175.072 174.900 -0.093 0.000 0.981 344 G CA 0.418 45.393 45.100 -0.208 0.000 0.670 344 G HN 0.608 nan 8.290 nan 0.000 0.528 345 L N -0.289 120.882 121.223 -0.086 0.000 2.349 345 L HA 0.710 5.050 4.340 0.001 0.000 0.278 345 L C 0.037 176.880 176.870 -0.046 0.000 0.996 345 L CA -1.084 53.727 54.840 -0.049 0.000 0.825 345 L CB 1.860 43.894 42.059 -0.042 0.000 1.243 345 L HN 0.161 nan 8.230 nan 0.000 0.412 346 M N 6.778 126.359 119.600 -0.032 0.000 2.088 346 M HA 0.507 4.987 4.480 0.001 0.000 0.346 346 M C -2.522 173.750 176.300 -0.047 0.000 1.111 346 M CA -2.077 53.205 55.300 -0.030 0.000 1.017 346 M CB 1.132 33.724 32.600 -0.013 0.000 1.568 346 M HN 0.072 nan 8.290 nan 0.000 0.445 347 P HA 0.099 nan 4.420 nan 0.000 0.271 347 P C -0.935 176.310 177.300 -0.093 0.000 1.218 347 P CA -0.386 62.678 63.100 -0.060 0.000 0.780 347 P CB 0.387 32.060 31.700 -0.044 0.000 0.901 348 V N 5.324 125.161 119.914 -0.128 0.000 2.479 348 V HA 0.117 4.237 4.120 0.001 0.000 0.281 348 V C -1.585 174.421 176.094 -0.147 0.000 1.031 348 V CA -1.097 61.070 62.300 -0.222 0.000 1.038 348 V CB -0.064 31.595 31.823 -0.273 0.000 0.981 348 V HN 0.603 nan 8.190 nan 0.000 0.478 349 P HA 0.159 nan 4.420 nan 0.000 0.271 349 P C -0.576 176.742 177.300 0.031 0.000 1.226 349 P CA -0.395 62.693 63.100 -0.020 0.000 0.765 349 P CB 0.600 32.308 31.700 0.012 0.000 0.835 350 Q N 2.118 121.928 119.800 0.017 0.000 2.394 350 Q HA 0.538 4.878 4.340 0.001 0.000 0.248 350 Q C 0.354 176.372 176.000 0.031 0.000 0.992 350 Q CA -0.081 55.737 55.803 0.025 0.000 0.888 350 Q CB 0.463 29.205 28.738 0.006 0.000 1.257 350 Q HN 0.823 nan 8.270 nan 0.000 0.462 351 G N 0.762 109.577 108.800 0.025 0.000 2.371 351 G HA2 0.043 4.004 3.960 0.001 0.000 0.663 351 G HA3 0.043 4.004 3.960 0.001 0.000 0.663 351 G C -3.004 171.887 174.900 -0.016 0.000 1.311 351 G CA -0.597 44.504 45.100 0.002 0.000 0.985 351 G HN 0.758 nan 8.290 nan 0.000 0.566 352 P HA 0.492 nan 4.420 nan 0.000 0.274 352 P C 1.258 178.488 177.300 -0.117 0.000 1.237 352 P CA 1.547 64.600 63.100 -0.079 0.000 0.793 352 P CB 0.987 32.641 31.700 -0.078 0.000 0.977 353 G N 2.023 110.727 108.800 -0.160 0.000 2.611 353 G HA2 -0.358 3.602 3.960 0.001 0.000 0.301 353 G HA3 -0.358 3.602 3.960 0.001 0.000 0.301 353 G C 1.101 175.759 174.900 -0.405 0.000 1.233 353 G CA 1.224 46.202 45.100 -0.204 0.000 0.993 353 G HN 0.712 nan 8.290 nan 0.000 0.553 354 T N -0.851 113.507 114.554 -0.326 0.000 3.007 354 T HA 0.330 4.681 4.350 0.001 0.000 0.270 354 T C 2.709 177.366 174.700 -0.071 0.000 1.107 354 T CA 1.836 63.718 62.100 -0.363 0.000 1.118 354 T CB -0.397 68.292 68.868 -0.299 0.000 0.889 354 T HN 2.786 nan 8.240 nan 0.000 0.506 355 G N 0.752 109.518 108.800 -0.057 0.000 2.153 355 G HA2 -0.189 3.771 3.960 0.001 0.000 0.252 355 G HA3 -0.189 3.771 3.960 0.001 0.000 0.252 355 G C 0.173 175.080 174.900 0.012 0.000 0.994 355 G CA 0.512 45.628 45.100 0.027 0.000 0.698 355 G HN 1.617 nan 8.290 nan 0.000 0.521 356 V N -3.779 116.122 119.914 -0.022 0.000 3.074 356 V HA 1.003 5.124 4.120 0.001 0.000 0.314 356 V C -0.140 175.934 176.094 -0.032 0.000 1.117 356 V CA -0.266 62.020 62.300 -0.024 0.000 1.014 356 V CB 2.251 34.057 31.823 -0.028 0.000 1.057 356 V HN 0.589 nan 8.190 nan 0.000 0.438 357 T N 3.232 117.774 114.554 -0.020 0.000 2.928 357 T HA 0.568 4.918 4.350 0.001 0.000 0.296 357 T C -0.360 174.337 174.700 -0.005 0.000 1.000 357 T CA -0.439 61.654 62.100 -0.013 0.000 0.989 357 T CB 1.260 70.125 68.868 -0.005 0.000 1.005 357 T HN 0.771 nan 8.240 nan 0.000 0.442 358 L N 2.721 123.943 121.223 -0.002 0.000 2.514 358 L HA 0.117 4.457 4.340 0.001 0.000 0.280 358 L C 0.733 177.620 176.870 0.029 0.000 1.223 358 L CA -0.056 54.790 54.840 0.011 0.000 0.864 358 L CB 0.291 42.356 42.059 0.009 0.000 1.118 358 L HN 0.646 nan 8.230 nan 0.000 0.494 359 D N 3.115 123.548 120.400 0.055 0.000 2.468 359 D HA 0.073 4.714 4.640 0.001 0.000 0.218 359 D C 0.987 177.340 176.300 0.088 0.000 1.155 359 D CA -0.347 53.702 54.000 0.082 0.000 0.924 359 D CB 0.679 41.552 40.800 0.121 0.000 1.029 359 D HN 0.285 nan 8.370 nan 0.000 0.515 360 R N 2.095 122.628 120.500 0.054 0.000 2.115 360 R HA -0.079 4.261 4.340 0.001 0.000 0.230 360 R C 1.549 177.868 176.300 0.031 0.000 1.111 360 R CA 0.489 56.609 56.100 0.033 0.000 0.976 360 R CB -0.142 30.174 30.300 0.028 0.000 0.870 360 R HN 0.490 nan 8.270 nan 0.000 0.445 361 E N 0.305 120.539 120.200 0.057 0.000 2.047 361 E HA -0.139 4.211 4.350 0.001 0.000 0.191 361 E C 1.688 178.338 176.600 0.082 0.000 0.987 361 E CA 0.851 57.286 56.400 0.059 0.000 0.799 361 E CB -0.259 29.482 29.700 0.068 0.000 0.752 361 E HN 0.175 nan 8.360 nan 0.000 0.449 362 F N 1.192 121.136 119.950 -0.008 0.000 2.146 362 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 362 F C 2.174 177.964 175.800 -0.017 0.000 1.096 362 F CA 1.094 59.088 58.000 -0.011 0.000 1.275 362 F CB -0.552 38.439 39.000 -0.015 0.000 1.008 362 F HN 0.109 nan 8.300 nan 0.000 0.480 363 L N 1.137 122.252 121.223 -0.180 0.000 2.042 363 L HA -0.083 4.258 4.340 0.001 0.000 0.210 363 L C 2.419 179.142 176.870 -0.245 0.000 1.076 363 L CA 2.143 56.823 54.840 -0.267 0.000 0.749 363 L CB -1.478 40.523 42.059 -0.098 0.000 0.893 363 L HN 0.170 nan 8.230 nan 0.000 0.432 364 A N -1.132 121.600 122.820 -0.145 0.000 1.978 364 A HA -0.241 4.079 4.320 0.001 0.000 0.220 364 A C 2.338 179.840 177.584 -0.136 0.000 1.170 364 A CA 2.267 54.240 52.037 -0.106 0.000 0.636 364 A CB -1.390 17.578 19.000 -0.053 0.000 0.810 364 A HN 0.655 nan 8.150 nan 0.000 0.448 365 T N -2.293 112.147 114.554 -0.190 0.000 3.035 365 T HA 0.024 4.375 4.350 0.001 0.000 0.268 365 T C 1.033 175.610 174.700 -0.205 0.000 1.109 365 T CA 1.406 63.407 62.100 -0.165 0.000 1.119 365 T CB -0.471 68.328 68.868 -0.116 0.000 0.900 365 T HN 0.881 nan 8.240 nan 0.000 0.503 366 V N -2.115 117.613 119.914 -0.309 0.000 3.159 366 V HA 0.420 4.540 4.120 0.001 0.000 0.333 366 V C 0.201 176.196 176.094 -0.165 0.000 1.424 366 V CA -0.710 61.446 62.300 -0.240 0.000 1.125 366 V CB -0.467 31.154 31.823 -0.336 0.000 1.075 366 V HN 0.188 nan 8.190 nan 0.000 0.482 367 T N 1.399 115.869 114.554 -0.140 0.000 2.749 367 T HA 0.295 4.646 4.350 0.001 0.000 0.295 367 T C 0.850 175.508 174.700 -0.070 0.000 0.936 367 T CA 0.361 62.403 62.100 -0.096 0.000 1.060 367 T CB 1.881 70.700 68.868 -0.082 0.000 0.904 367 T HN 0.562 nan 8.240 nan 0.000 0.500 368 E N 2.421 122.587 120.200 -0.057 0.000 2.140 368 E HA 0.336 4.686 4.350 0.001 0.000 0.191 368 E C 0.453 177.032 176.600 -0.035 0.000 0.973 368 E CA 0.295 56.668 56.400 -0.047 0.000 0.829 368 E CB 0.351 30.026 29.700 -0.042 0.000 0.781 368 E HN 0.777 nan 8.360 nan 0.000 0.466 369 A N 0.120 122.923 122.820 -0.030 0.000 2.589 369 A HA 0.584 4.905 4.320 0.001 0.000 0.296 369 A C -1.612 175.963 177.584 -0.015 0.000 1.062 369 A CA -0.840 51.185 52.037 -0.020 0.000 0.686 369 A CB 1.279 20.271 19.000 -0.013 0.000 1.282 369 A HN 0.116 nan 8.150 nan 0.000 0.404 370 Q N 0.615 120.408 119.800 -0.012 0.000 2.462 370 Q HA 0.772 5.112 4.340 0.001 0.000 0.285 370 Q C -1.357 174.639 176.000 -0.008 0.000 1.035 370 Q CA -0.820 54.981 55.803 -0.003 0.000 0.799 370 Q CB 2.215 30.948 28.738 -0.007 0.000 1.452 370 Q HN 0.905 nan 8.270 nan 0.000 0.404 371 E N 0.264 120.464 120.200 -0.000 0.000 2.407 371 E HA 0.510 4.860 4.350 0.001 0.000 0.279 371 E C -1.585 174.980 176.600 -0.057 0.000 1.012 371 E CA -0.892 55.477 56.400 -0.052 0.000 0.800 371 E CB 2.509 32.186 29.700 -0.038 0.000 1.276 371 E HN 0.661 nan 8.360 nan 0.000 0.452 372 E N 1.038 121.129 120.200 -0.182 0.000 2.288 372 E HA 0.353 4.703 4.350 0.001 0.000 0.268 372 E C -1.358 175.037 176.600 -0.343 0.000 0.885 372 E CA -0.729 55.597 56.400 -0.123 0.000 0.767 372 E CB 1.501 31.163 29.700 -0.063 0.000 1.220 372 E HN 0.501 nan 8.360 nan 0.000 0.427 373 H N 2.549 121.646 119.070 0.045 0.000 2.717 373 H HA 0.509 5.065 4.556 0.001 0.000 0.366 373 H C -0.453 174.906 175.328 0.051 0.000 1.132 373 H CA -0.723 55.350 56.048 0.042 0.000 1.180 373 H CB 1.800 31.590 29.762 0.045 0.000 1.678 373 H HN 0.447 nan 8.280 nan 0.000 0.537 374 R N 0.421 121.009 120.500 0.148 0.000 2.905 374 R HA 0.665 5.006 4.340 0.001 0.000 0.260 374 R C -0.223 176.138 176.300 0.101 0.000 1.086 374 R CA -0.895 55.269 56.100 0.106 0.000 0.978 374 R CB 1.908 32.244 30.300 0.059 0.000 1.215 374 R HN 0.634 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.868 122.820 0.080 0.000 2.254 375 A HA 0.000 4.320 4.320 0.001 0.000 0.244 375 A CA 0.000 52.077 52.037 0.066 0.000 0.836 375 A CB 0.000 19.032 19.000 0.052 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486