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 2ggg_1_B DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TICGALCLLR 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 0.000 176.513 176.300 0.355 0.000 0.893 6 R CA 0.000 56.245 56.100 0.241 0.000 0.921 6 R CB 0.000 30.383 30.300 0.138 0.000 0.687 7 M N 1.215 120.942 119.600 0.213 0.000 2.240 7 M HA 0.285 4.763 4.480 -0.002 0.000 0.317 7 M C -0.408 176.053 176.300 0.269 0.000 1.087 7 M CA 0.381 55.772 55.300 0.152 0.000 1.176 7 M CB -0.224 32.364 32.600 -0.021 0.000 1.439 7 M HN 0.520 nan 8.290 nan 0.000 0.452 8 F N -0.641 119.378 119.950 0.115 0.000 2.556 8 F HA 0.666 5.192 4.527 -0.002 0.000 0.314 8 F C -0.829 175.045 175.800 0.124 0.000 1.106 8 F CA -1.249 56.835 58.000 0.140 0.000 0.911 8 F CB 1.064 40.188 39.000 0.206 0.000 1.190 8 F HN 0.440 nan 8.300 nan 0.000 0.448 9 K N 4.539 125.061 120.400 0.203 0.000 2.183 9 K HA 0.576 4.895 4.320 -0.002 0.000 0.274 9 K C -0.979 175.762 176.600 0.236 0.000 1.009 9 K CA -0.630 55.722 56.287 0.109 0.000 0.888 9 K CB 1.051 33.584 32.500 0.056 0.000 1.078 9 K HN 0.872 nan 8.250 nan 0.000 0.459 10 I N 4.773 125.491 120.570 0.247 0.000 2.312 10 I HA 0.059 4.228 4.170 -0.002 0.000 0.291 10 I C 0.861 177.087 176.117 0.183 0.000 1.031 10 I CA 0.038 61.496 61.300 0.264 0.000 1.293 10 I CB 1.198 39.382 38.000 0.307 0.000 1.403 10 I HN 0.775 nan 8.210 nan 0.000 0.484 11 E N 4.599 124.907 120.200 0.179 0.000 2.244 11 E HA 0.303 4.652 4.350 -0.002 0.000 0.196 11 E C 0.345 177.031 176.600 0.143 0.000 0.939 11 E CA 0.083 56.565 56.400 0.138 0.000 0.884 11 E CB 0.731 30.503 29.700 0.120 0.000 0.850 11 E HN 0.721 nan 8.360 nan 0.000 0.481 12 A N 0.681 123.621 122.820 0.201 0.000 2.566 12 A HA 0.810 5.129 4.320 -0.002 0.000 0.292 12 A C -1.612 176.140 177.584 0.279 0.000 1.112 12 A CA -0.311 51.859 52.037 0.222 0.000 0.707 12 A CB 1.876 20.984 19.000 0.180 0.000 1.302 12 A HN 0.090 nan 8.150 nan 0.000 0.409 13 A N 0.565 123.539 122.820 0.256 0.000 2.455 13 A HA 0.725 5.044 4.320 -0.002 0.000 0.300 13 A C -0.974 176.755 177.584 0.242 0.000 1.040 13 A CA -0.440 51.720 52.037 0.204 0.000 0.697 13 A CB 1.056 20.131 19.000 0.125 0.000 1.265 13 A HN 0.738 nan 8.150 nan 0.000 0.407 14 E N 1.543 121.857 120.200 0.189 0.000 2.183 14 E HA 0.556 4.905 4.350 -0.002 0.000 0.271 14 E C -1.135 175.536 176.600 0.119 0.000 0.919 14 E CA -0.498 56.004 56.400 0.170 0.000 0.781 14 E CB 2.332 32.130 29.700 0.165 0.000 1.140 14 E HN 0.576 nan 8.360 nan 0.000 0.402 15 I N 2.764 123.409 120.570 0.126 0.000 2.339 15 I HA 0.252 4.421 4.170 -0.002 0.000 0.290 15 I C -0.699 175.448 176.117 0.050 0.000 0.994 15 I CA -0.899 60.449 61.300 0.080 0.000 1.191 15 I CB 1.311 39.367 38.000 0.093 0.000 1.343 15 I HN 0.176 nan 8.210 nan 0.000 0.458 16 V N 7.333 127.262 119.914 0.026 0.000 2.495 16 V HA 0.377 4.496 4.120 -0.002 0.000 0.298 16 V C -0.051 176.038 176.094 -0.008 0.000 1.031 16 V CA -0.710 61.593 62.300 0.005 0.000 0.871 16 V CB 2.164 33.984 31.823 -0.005 0.000 0.988 16 V HN 0.373 nan 8.190 nan 0.000 0.432 17 V N 4.205 124.110 119.914 -0.015 0.000 2.370 17 V HA 0.802 4.921 4.120 -0.002 0.000 0.283 17 V C 0.396 176.467 176.094 -0.038 0.000 1.023 17 V CA -0.362 61.926 62.300 -0.021 0.000 0.857 17 V CB 1.380 33.195 31.823 -0.014 0.000 0.985 17 V HN 0.994 nan 8.190 nan 0.000 0.443 18 A N 5.408 128.201 122.820 -0.045 0.000 2.340 18 A HA 0.827 5.146 4.320 -0.002 0.000 0.331 18 A C -0.139 177.426 177.584 -0.033 0.000 1.140 18 A CA -0.824 51.174 52.037 -0.066 0.000 0.801 18 A CB 1.356 20.291 19.000 -0.109 0.000 1.234 18 A HN 0.632 nan 8.150 nan 0.000 0.469 19 R N 1.849 122.335 120.500 -0.022 0.000 2.332 19 R HA 0.305 4.643 4.340 -0.002 0.000 0.306 19 R C -1.678 174.731 176.300 0.182 0.000 1.117 19 R CA -0.549 55.586 56.100 0.059 0.000 1.108 19 R CB 0.612 30.897 30.300 -0.025 0.000 1.126 19 R HN 0.594 nan 8.270 nan 0.000 0.548 20 L N 5.778 127.102 121.223 0.167 0.000 2.264 20 L HA 0.439 4.778 4.340 -0.002 0.000 0.289 20 L C -2.299 174.739 176.870 0.280 0.000 1.044 20 L CA -2.138 52.786 54.840 0.140 0.000 0.807 20 L CB 1.367 43.323 42.059 -0.171 0.000 1.192 20 L HN 0.310 nan 8.230 nan 0.000 0.425 21 P HA 0.150 nan 4.420 nan 0.000 0.271 21 P C -0.770 176.646 177.300 0.193 0.000 1.226 21 P CA -0.344 62.653 63.100 -0.172 0.000 0.765 21 P CB 0.517 32.094 31.700 -0.204 0.000 0.835 22 L N 2.684 123.966 121.223 0.098 0.000 2.473 22 L HA 0.170 4.509 4.340 -0.002 0.000 0.268 22 L C 1.480 178.361 176.870 0.018 0.000 1.215 22 L CA 0.289 55.159 54.840 0.050 0.000 0.823 22 L CB -0.300 41.729 42.059 -0.049 0.000 1.099 22 L HN 0.379 nan 8.230 nan 0.000 0.483 35 H N 0.441 119.567 119.070 0.093 0.000 2.771 35 H HA 0.769 5.324 4.556 -0.002 0.000 0.344 35 H C -1.091 174.328 175.328 0.153 0.000 1.260 35 H CA -0.863 55.266 56.048 0.134 0.000 1.276 35 H CB 2.168 31.989 29.762 0.098 0.000 1.881 35 H HN 0.108 nan 8.280 nan 0.000 0.615 36 K N 1.475 122.077 120.400 0.337 0.000 2.507 36 K HA 0.245 4.564 4.320 -0.002 0.000 0.251 36 K C -1.307 175.412 176.600 0.197 0.000 0.943 36 K CA -0.564 55.884 56.287 0.268 0.000 0.794 36 K CB 2.260 34.988 32.500 0.381 0.000 1.188 36 K HN 0.255 nan 8.250 nan 0.000 0.428 37 V N 4.016 124.005 119.914 0.124 0.000 2.521 37 V HA 0.129 4.248 4.120 -0.002 0.000 0.286 37 V C -0.160 175.965 176.094 0.052 0.000 1.034 37 V CA -0.328 62.013 62.300 0.067 0.000 1.045 37 V CB 1.233 33.079 31.823 0.039 0.000 0.974 37 V HN 0.422 nan 8.190 nan 0.000 0.480 38 V N 8.178 128.101 119.914 0.014 0.000 2.325 38 V HA 0.344 4.463 4.120 -0.002 0.000 0.280 38 V C -2.337 173.746 176.094 -0.019 0.000 1.016 38 V CA -1.645 60.649 62.300 -0.010 0.000 0.818 38 V CB 1.791 33.575 31.823 -0.065 0.000 1.019 38 V HN 0.759 nan 8.190 nan 0.000 0.434 39 P HA 0.466 nan 4.420 nan 0.000 0.287 39 P C -0.977 176.318 177.300 -0.010 0.000 1.281 39 P CA -0.183 62.912 63.100 -0.008 0.000 0.781 39 P CB 1.250 32.948 31.700 -0.003 0.000 0.903 40 L N 3.440 124.659 121.223 -0.007 0.000 2.342 40 L HA 0.577 4.916 4.340 -0.002 0.000 0.271 40 L C -0.144 176.730 176.870 0.007 0.000 1.008 40 L CA -1.195 53.643 54.840 -0.003 0.000 0.818 40 L CB 1.965 44.020 42.059 -0.006 0.000 1.296 40 L HN 0.207 nan 8.230 nan 0.000 0.427 41 L N 3.628 124.855 121.223 0.006 0.000 2.313 41 L HA 0.623 4.962 4.340 -0.002 0.000 0.283 41 L C -0.868 175.997 176.870 -0.008 0.000 1.013 41 L CA -0.012 54.833 54.840 0.009 0.000 0.816 41 L CB 1.404 43.468 42.059 0.009 0.000 1.236 41 L HN 0.371 nan 8.230 nan 0.000 0.419 42 I N 6.211 126.764 120.570 -0.027 0.000 2.389 42 I HA 0.379 4.548 4.170 -0.002 0.000 0.288 42 I C -0.833 175.154 176.117 -0.216 0.000 0.999 42 I CA -0.550 60.670 61.300 -0.132 0.000 1.129 42 I CB 1.413 39.323 38.000 -0.151 0.000 1.288 42 I HN 0.413 nan 8.210 nan 0.000 0.444 43 L N 5.861 126.955 121.223 -0.216 0.000 2.307 43 L HA 0.517 4.856 4.340 -0.002 0.000 0.284 43 L C -0.386 176.347 176.870 -0.228 0.000 1.023 43 L CA -0.666 54.096 54.840 -0.131 0.000 0.810 43 L CB 1.023 43.080 42.059 -0.004 0.000 1.231 43 L HN 0.523 nan 8.230 nan 0.000 0.423 44 H N 2.074 121.197 119.070 0.089 0.000 2.469 44 H HA 0.750 5.305 4.556 -0.002 0.000 0.342 44 H C -0.106 175.286 175.328 0.105 0.000 1.115 44 H CA -0.551 55.545 56.048 0.081 0.000 1.204 44 H CB 2.331 32.134 29.762 0.068 0.000 1.492 44 H HN 0.788 nan 8.280 nan 0.000 0.499 45 G N 0.802 109.731 108.800 0.215 0.000 2.556 45 G HA2 0.248 4.207 3.960 -0.002 0.000 0.294 45 G HA3 0.248 4.207 3.960 -0.002 0.000 0.294 45 G C -0.659 174.335 174.900 0.157 0.000 1.516 45 G CA -0.712 44.506 45.100 0.197 0.000 0.824 45 G HN 0.416 nan 8.290 nan 0.000 0.535 46 E N -1.197 119.089 120.200 0.143 0.000 3.170 46 E HA -0.185 4.164 4.350 -0.002 0.000 0.284 46 E C 1.627 178.275 176.600 0.081 0.000 0.967 46 E CA 2.760 59.230 56.400 0.116 0.000 0.919 46 E CB -1.319 28.467 29.700 0.143 0.000 1.469 46 E HN 2.544 nan 8.360 nan 0.000 0.444 47 G N -2.462 106.388 108.800 0.083 0.000 2.176 47 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.253 47 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.253 47 G C 0.485 175.424 174.900 0.065 0.000 0.979 47 G CA 0.886 46.024 45.100 0.064 0.000 0.641 47 G HN 1.168 nan 8.290 nan 0.000 0.530 48 V N -2.727 117.231 119.914 0.073 0.000 3.182 48 V HA 0.990 5.109 4.120 -0.002 0.000 0.311 48 V C -0.278 175.865 176.094 0.083 0.000 1.221 48 V CA -0.177 62.157 62.300 0.056 0.000 1.060 48 V CB 1.690 33.519 31.823 0.009 0.000 1.164 48 V HN 1.055 nan 8.190 nan 0.000 0.466 49 Q N 0.190 120.011 119.800 0.034 0.000 2.456 49 Q HA 0.815 5.154 4.340 -0.002 0.000 0.283 49 Q C -0.606 175.360 176.000 -0.056 0.000 1.084 49 Q CA -0.687 55.094 55.803 -0.037 0.000 0.801 49 Q CB 2.289 30.983 28.738 -0.074 0.000 1.434 49 Q HN 1.258 nan 8.270 nan 0.000 0.419 50 G N 0.486 109.239 108.800 -0.078 0.000 2.495 50 G HA2 0.609 4.568 3.960 -0.002 0.000 0.318 50 G HA3 0.609 4.568 3.960 -0.002 0.000 0.318 50 G C -1.197 173.694 174.900 -0.015 0.000 1.257 50 G CA -0.698 44.388 45.100 -0.024 0.000 0.962 50 G HN 0.414 nan 8.290 nan 0.000 0.483 51 V N 0.281 120.227 119.914 0.053 0.000 2.735 51 V HA 0.913 5.032 4.120 -0.002 0.000 0.310 51 V C 0.195 176.401 176.094 0.187 0.000 1.061 51 V CA -0.608 61.734 62.300 0.070 0.000 0.913 51 V CB 1.321 33.173 31.823 0.049 0.000 1.005 51 V HN 1.309 nan 8.190 nan 0.000 0.428 52 A N 2.785 125.658 122.820 0.088 0.000 2.594 52 A HA 0.877 5.196 4.320 -0.002 0.000 0.291 52 A C -1.135 176.436 177.584 -0.022 0.000 1.105 52 A CA -0.622 51.417 52.037 0.003 0.000 0.694 52 A CB 2.039 20.975 19.000 -0.107 0.000 1.291 52 A HN 0.854 nan 8.150 nan 0.000 0.410 53 E N 0.624 120.785 120.200 -0.064 0.000 2.210 53 E HA 0.542 4.891 4.350 -0.002 0.000 0.266 53 E C 0.077 176.650 176.600 -0.045 0.000 0.883 53 E CA -0.655 55.726 56.400 -0.032 0.000 0.761 53 E CB 1.670 31.366 29.700 -0.007 0.000 1.156 53 E HN 0.980 nan 8.360 nan 0.000 0.412 54 G N 1.631 110.417 108.800 -0.024 0.000 2.380 54 G HA2 0.168 4.127 3.960 -0.002 0.000 0.262 54 G HA3 0.168 4.127 3.960 -0.002 0.000 0.262 54 G C 0.635 175.527 174.900 -0.014 0.000 1.243 54 G CA -0.048 45.042 45.100 -0.018 0.000 0.865 54 G HN 0.597 nan 8.290 nan 0.000 0.513 55 T N 0.730 115.273 114.554 -0.019 0.000 3.105 55 T HA 0.193 4.542 4.350 -0.002 0.000 0.253 55 T C 1.111 175.808 174.700 -0.006 0.000 1.047 55 T CA -0.436 61.651 62.100 -0.023 0.000 0.944 55 T CB -0.113 68.725 68.868 -0.051 0.000 1.016 55 T HN 0.512 nan 8.240 nan 0.000 0.544 56 M N 1.226 120.832 119.600 0.010 0.000 2.242 56 M HA 0.546 5.025 4.480 -0.002 0.000 0.344 56 M C -0.545 175.765 176.300 0.016 0.000 1.140 56 M CA -0.211 55.102 55.300 0.022 0.000 1.160 56 M CB 0.422 33.033 32.600 0.018 0.000 1.491 56 M HN 0.064 nan 8.290 nan 0.000 0.459 57 E N 1.600 121.811 120.200 0.019 0.000 2.292 57 E HA 0.601 4.949 4.350 -0.002 0.000 0.258 57 E C 0.917 177.522 176.600 0.008 0.000 1.115 57 E CA -0.430 55.980 56.400 0.016 0.000 0.929 57 E CB 0.790 30.502 29.700 0.020 0.000 1.161 57 E HN 0.780 nan 8.360 nan 0.000 0.453 58 A N 0.912 123.738 122.820 0.009 0.000 1.930 58 A HA -0.061 4.258 4.320 -0.002 0.000 0.217 58 A C 0.883 178.465 177.584 -0.004 0.000 1.175 58 A CA 1.150 53.189 52.037 0.003 0.000 0.627 58 A CB -0.074 18.930 19.000 0.007 0.000 0.815 58 A HN 0.387 nan 8.150 nan 0.000 0.443 59 R N -0.580 119.918 120.500 -0.005 0.000 2.732 59 R HA 0.387 4.726 4.340 -0.002 0.000 0.278 59 R C -2.824 173.461 176.300 -0.025 0.000 0.976 59 R CA -2.255 53.836 56.100 -0.015 0.000 0.963 59 R CB 1.160 31.453 30.300 -0.012 0.000 1.150 59 R HN 0.038 nan 8.270 nan 0.000 0.478 60 P HA 0.096 nan 4.420 nan 0.000 0.244 60 P C -0.353 176.877 177.300 -0.116 0.000 1.769 60 P CA 0.314 63.364 63.100 -0.084 0.000 1.102 60 P CB 0.352 31.993 31.700 -0.098 0.000 1.937 61 M N 0.827 120.381 119.600 -0.076 0.000 2.738 61 M HA 0.019 4.498 4.480 -0.002 0.000 0.256 61 M C 1.928 178.174 176.300 -0.091 0.000 1.253 61 M CA 1.000 56.257 55.300 -0.071 0.000 1.223 61 M CB -0.366 32.226 32.600 -0.013 0.000 1.263 61 M HN 0.084 nan 8.290 nan 0.000 0.521 62 Y N 0.870 121.079 120.300 -0.151 0.000 2.243 62 Y HA 0.151 4.700 4.550 -0.002 0.000 0.293 62 Y C 1.293 177.028 175.900 -0.275 0.000 1.124 62 Y CA 1.139 59.146 58.100 -0.156 0.000 1.159 62 Y CB 0.387 38.796 38.460 -0.084 0.000 1.008 62 Y HN -0.036 nan 8.280 nan 0.000 0.527 63 R N -0.560 119.688 120.500 -0.420 0.000 3.041 63 R HA 0.114 4.453 4.340 -0.002 0.000 0.254 63 R C 1.245 177.288 176.300 -0.428 0.000 1.244 63 R CA 0.083 55.799 56.100 -0.641 0.000 1.023 63 R CB 0.683 30.697 30.300 -0.477 0.000 1.332 63 R HN 0.133 nan 8.270 nan 0.000 0.463 64 E N 0.883 120.871 120.200 -0.352 0.000 2.347 64 E HA -0.054 4.295 4.350 -0.002 0.000 0.196 64 E C -0.635 175.913 176.600 -0.086 0.000 1.008 64 E CA 1.127 57.415 56.400 -0.187 0.000 0.852 64 E CB 0.206 29.871 29.700 -0.059 0.000 0.783 64 E HN 0.423 nan 8.360 nan 0.000 0.505 65 E N 0.917 121.082 120.200 -0.058 0.000 2.283 65 E HA 0.339 4.688 4.350 -0.002 0.000 0.267 65 E C -0.244 176.344 176.600 -0.019 0.000 1.045 65 E CA -0.272 56.115 56.400 -0.021 0.000 0.884 65 E CB 1.430 31.134 29.700 0.006 0.000 1.106 65 E HN 0.251 nan 8.360 nan 0.000 0.408 66 T N -2.118 112.426 114.554 -0.017 0.000 2.887 66 T HA 0.406 4.755 4.350 -0.002 0.000 0.292 66 T C 1.053 175.745 174.700 -0.013 0.000 1.087 66 T CA -0.762 61.330 62.100 -0.015 0.000 1.009 66 T CB 0.689 69.545 68.868 -0.020 0.000 1.203 66 T HN 0.382 nan 8.240 nan 0.000 0.518 67 I N 0.547 121.111 120.570 -0.010 0.000 2.179 67 I HA -0.158 4.011 4.170 -0.002 0.000 0.242 67 I C 2.926 179.031 176.117 -0.020 0.000 1.088 67 I CA 1.731 63.025 61.300 -0.010 0.000 1.357 67 I CB -0.407 37.591 38.000 -0.004 0.000 1.051 67 I HN 0.908 nan 8.210 nan 0.000 0.409 68 C N 0.031 119.318 119.300 -0.022 0.000 2.467 68 C HA 0.148 4.607 4.460 -0.002 0.000 0.279 68 C C 2.823 177.786 174.990 -0.045 0.000 1.347 68 C CA -0.052 58.948 59.018 -0.030 0.000 1.748 68 C CB -1.820 25.905 27.740 -0.025 0.000 1.977 68 C HN 0.526 nan 8.230 nan 0.000 0.501 69 G N 1.390 110.164 108.800 -0.043 0.000 2.476 69 G HA2 -0.010 3.949 3.960 -0.002 0.000 0.218 69 G HA3 -0.010 3.949 3.960 -0.002 0.000 0.218 69 G C 1.982 176.832 174.900 -0.083 0.000 1.164 69 G CA 1.522 46.587 45.100 -0.058 0.000 0.768 69 G HN 0.815 nan 8.290 nan 0.000 0.560 70 A N 0.452 123.234 122.820 -0.063 0.000 1.898 70 A HA 0.150 4.469 4.320 -0.002 0.000 0.216 70 A C 2.467 179.993 177.584 -0.097 0.000 1.181 70 A CA 1.255 53.250 52.037 -0.070 0.000 0.620 70 A CB -0.385 18.602 19.000 -0.021 0.000 0.819 70 A HN 0.348 nan 8.150 nan 0.000 0.442 71 L N -0.860 120.321 121.223 -0.069 0.000 2.046 71 L HA -0.253 4.086 4.340 -0.002 0.000 0.208 71 L C 2.782 179.591 176.870 -0.102 0.000 1.077 71 L CA 1.269 56.070 54.840 -0.065 0.000 0.747 71 L CB -1.019 41.021 42.059 -0.032 0.000 0.896 71 L HN 0.482 nan 8.230 nan 0.000 0.432 72 C N -0.200 119.036 119.300 -0.108 0.000 2.376 72 C HA -0.229 4.230 4.460 -0.002 0.000 0.275 72 C C 2.770 177.626 174.990 -0.225 0.000 1.200 72 C CA 0.844 59.782 59.018 -0.134 0.000 1.756 72 C CB -0.797 26.870 27.740 -0.120 0.000 2.050 72 C HN 0.429 nan 8.230 nan 0.000 0.460 73 L N 0.260 121.297 121.223 -0.311 0.000 2.012 73 L HA -0.125 4.214 4.340 -0.002 0.000 0.210 73 L C 2.323 178.806 176.870 -0.645 0.000 1.073 73 L CA 1.734 56.227 54.840 -0.578 0.000 0.748 73 L CB -0.913 40.739 42.059 -0.678 0.000 0.891 73 L HN 0.346 nan 8.230 nan 0.000 0.431 74 L N -1.327 119.664 121.223 -0.386 0.000 2.017 74 L HA -0.236 4.103 4.340 -0.002 0.000 0.208 74 L C 2.769 179.507 176.870 -0.220 0.000 1.073 74 L CA 1.325 56.039 54.840 -0.210 0.000 0.745 74 L CB -0.457 41.548 42.059 -0.090 0.000 0.894 74 L HN 0.245 nan 8.230 nan 0.000 0.432 75 R N -0.380 119.993 120.500 -0.211 0.000 2.062 75 R HA -0.101 4.238 4.340 -0.002 0.000 0.231 75 R C 2.266 178.472 176.300 -0.158 0.000 1.136 75 R CA 1.467 57.448 56.100 -0.198 0.000 0.948 75 R CB -0.726 29.539 30.300 -0.058 0.000 0.845 75 R HN 0.405 nan 8.270 nan 0.000 0.430 76 G N -1.127 107.574 108.800 -0.164 0.000 2.511 76 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.217 76 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.217 76 G C 0.965 175.768 174.900 -0.161 0.000 1.133 76 G CA 0.997 46.013 45.100 -0.140 0.000 0.792 76 G HN 0.291 nan 8.290 nan 0.000 0.539 77 T N -0.560 113.845 114.554 -0.249 0.000 3.358 77 T HA 0.188 4.537 4.350 -0.002 0.000 0.263 77 T C 1.720 176.412 174.700 -0.013 0.000 0.998 77 T CA -0.223 61.733 62.100 -0.241 0.000 1.130 77 T CB -0.058 68.458 68.868 -0.586 0.000 1.165 77 T HN -0.000 nan 8.240 nan 0.000 0.426 78 F N 2.126 121.990 119.950 -0.143 0.000 2.163 78 F HA 0.285 4.811 4.527 -0.002 0.000 0.297 78 F C 2.168 177.935 175.800 -0.056 0.000 1.094 78 F CA 0.119 58.071 58.000 -0.080 0.000 1.290 78 F CB -1.256 37.695 39.000 -0.081 0.000 1.017 78 F HN 0.064 nan 8.300 nan 0.000 0.483 79 L N -0.181 121.093 121.223 0.085 0.000 2.056 79 L HA -0.140 4.199 4.340 -0.002 0.000 0.207 79 L C -0.343 176.545 176.870 0.031 0.000 1.078 79 L CA 1.309 56.153 54.840 0.006 0.000 0.749 79 L CB -2.088 39.876 42.059 -0.159 0.000 0.901 79 L HN 0.061 nan 8.230 nan 0.000 0.433 80 P HA -0.110 nan 4.420 nan 0.000 0.222 80 P C 1.288 178.640 177.300 0.085 0.000 1.147 80 P CA 1.334 64.463 63.100 0.049 0.000 0.790 80 P CB 0.021 31.740 31.700 0.032 0.000 0.780 81 A N -0.518 122.374 122.820 0.120 0.000 2.119 81 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 81 A C 1.950 179.637 177.584 0.173 0.000 1.153 81 A CA 1.299 53.425 52.037 0.148 0.000 0.692 81 A CB -1.173 17.945 19.000 0.197 0.000 0.799 81 A HN 0.381 nan 8.150 nan 0.000 0.458 82 I N -5.045 115.633 120.570 0.180 0.000 4.433 82 I HA 0.345 4.514 4.170 -0.002 0.000 0.322 82 I C 0.147 176.409 176.117 0.242 0.000 1.284 82 I CA -0.342 61.134 61.300 0.293 0.000 1.269 82 I CB -0.019 38.094 38.000 0.187 0.000 1.219 82 I HN -0.088 nan 8.210 nan 0.000 0.436 83 L N 3.911 125.224 121.223 0.151 0.000 2.584 83 L HA 0.200 4.539 4.340 -0.002 0.000 0.272 83 L C 1.350 178.274 176.870 0.091 0.000 1.195 83 L CA 1.466 56.382 54.840 0.126 0.000 0.920 83 L CB 0.256 42.378 42.059 0.105 0.000 1.173 83 L HN 0.693 nan 8.230 nan 0.000 0.489 84 G N 1.579 110.426 108.800 0.078 0.000 2.234 84 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.235 84 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.235 84 G C 0.315 175.181 174.900 -0.057 0.000 0.997 84 G CA -0.489 44.623 45.100 0.020 0.000 0.623 84 G HN 0.491 nan 8.290 nan 0.000 0.514 85 Q N 0.838 120.575 119.800 -0.106 0.000 2.317 85 Q HA 0.618 4.957 4.340 -0.002 0.000 0.229 85 Q C -0.071 175.570 176.000 -0.599 0.000 0.984 85 Q CA 0.334 55.889 55.803 -0.413 0.000 0.911 85 Q CB 0.892 29.242 28.738 -0.647 0.000 1.217 85 Q HN 0.271 nan 8.270 nan 0.000 0.501 86 T N 1.435 115.519 114.554 -0.783 0.000 2.829 86 T HA 0.686 5.035 4.350 -0.002 0.000 0.280 86 T C -0.729 173.411 174.700 -0.934 0.000 0.999 86 T CA -0.323 61.397 62.100 -0.634 0.000 0.983 86 T CB 0.348 69.017 68.868 -0.331 0.000 0.968 86 T HN 0.257 nan 8.240 nan 0.000 0.446 87 F N 0.255 119.812 119.950 -0.655 0.000 2.576 87 F HA 0.593 5.119 4.527 -0.002 0.000 0.313 87 F C 1.033 176.339 175.800 -0.823 0.000 1.078 87 F CA -1.234 56.281 58.000 -0.808 0.000 0.921 87 F CB 1.679 40.011 39.000 -1.112 0.000 1.232 87 F HN 0.652 nan 8.300 nan 0.000 0.459 88 A N 1.843 124.463 122.820 -0.332 0.000 1.975 88 A HA 0.157 4.476 4.320 -0.002 0.000 0.215 88 A C 0.085 177.356 177.584 -0.521 0.000 1.170 88 A CA 1.297 53.164 52.037 -0.284 0.000 0.656 88 A CB -0.558 18.338 19.000 -0.175 0.000 0.821 88 A HN 0.836 nan 8.150 nan 0.000 0.449 89 N N -4.391 113.969 118.700 -0.566 0.000 3.185 89 N HA 0.303 5.042 4.740 -0.002 0.000 0.238 89 N C -3.138 171.979 175.510 -0.654 0.000 1.451 89 N CA -1.433 51.026 53.050 -0.984 0.000 0.888 89 N CB 0.246 38.243 38.487 -0.817 0.000 1.413 89 N HN -0.291 nan 8.380 nan 0.000 0.511 90 P HA -0.059 nan 4.420 nan 0.000 0.221 90 P C 0.369 177.383 177.300 -0.478 0.000 1.145 90 P CA 1.261 63.916 63.100 -0.741 0.000 0.795 90 P CB 0.273 31.072 31.700 -1.503 0.000 0.775 91 E N -0.238 119.728 120.200 -0.391 0.000 2.106 91 E HA -0.099 4.250 4.350 -0.002 0.000 0.192 91 E C 2.169 178.660 176.600 -0.181 0.000 0.984 91 E CA 1.338 57.626 56.400 -0.186 0.000 0.806 91 E CB -1.016 28.625 29.700 -0.097 0.000 0.750 91 E HN 0.133 nan 8.360 nan 0.000 0.458 92 A N 0.541 123.237 122.820 -0.206 0.000 1.933 92 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 92 A C 2.431 179.893 177.584 -0.204 0.000 1.175 92 A CA 1.372 53.343 52.037 -0.110 0.000 0.628 92 A CB -0.714 18.276 19.000 -0.017 0.000 0.814 92 A HN 0.146 nan 8.150 nan 0.000 0.444 93 V N 0.877 120.475 119.914 -0.527 0.000 2.261 93 V HA -0.248 3.871 4.120 -0.002 0.000 0.246 93 V C 2.977 178.805 176.094 -0.444 0.000 1.047 93 V CA 2.478 64.243 62.300 -0.891 0.000 1.015 93 V CB -1.014 30.301 31.823 -0.847 0.000 0.642 93 V HN 0.802 nan 8.190 nan 0.000 0.446 94 S N 0.028 115.550 115.700 -0.297 0.000 2.453 94 S HA -0.212 4.257 4.470 -0.002 0.000 0.231 94 S C 1.675 176.182 174.600 -0.155 0.000 1.005 94 S CA 1.410 59.482 58.200 -0.214 0.000 0.949 94 S CB -0.548 62.565 63.200 -0.146 0.000 0.774 94 S HN 0.698 nan 8.310 nan 0.000 0.510 95 D N 2.590 122.917 120.400 -0.122 0.000 2.144 95 D HA -0.038 4.601 4.640 -0.002 0.000 0.199 95 D C 1.811 178.082 176.300 -0.049 0.000 0.984 95 D CA 1.213 55.170 54.000 -0.071 0.000 0.834 95 D CB -0.530 40.242 40.800 -0.047 0.000 0.955 95 D HN 0.504 nan 8.370 nan 0.000 0.465 96 A N -0.448 122.351 122.820 -0.034 0.000 2.248 96 A HA 0.098 4.417 4.320 -0.002 0.000 0.210 96 A C 1.435 179.031 177.584 0.021 0.000 1.174 96 A CA 0.541 52.599 52.037 0.037 0.000 0.750 96 A CB -0.468 18.631 19.000 0.166 0.000 0.780 96 A HN 0.448 nan 8.150 nan 0.000 0.478 97 L N -2.360 118.834 121.223 -0.048 0.000 3.184 97 L HA 0.254 4.593 4.340 -0.002 0.000 0.283 97 L C 1.869 178.727 176.870 -0.020 0.000 1.218 97 L CA 0.240 55.066 54.840 -0.023 0.000 1.028 97 L CB 0.153 42.013 42.059 -0.331 0.000 1.400 97 L HN 0.280 nan 8.230 nan 0.000 0.591 98 G N -0.269 108.495 108.800 -0.061 0.000 2.559 98 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.216 98 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.216 98 G C 1.501 176.333 174.900 -0.114 0.000 1.126 98 G CA 0.732 45.790 45.100 -0.070 0.000 0.778 98 G HN 0.281 nan 8.290 nan 0.000 0.543 99 S N -0.346 115.208 115.700 -0.244 0.000 2.382 99 S HA 0.014 4.483 4.470 -0.002 0.000 0.228 99 S C 0.641 174.997 174.600 -0.407 0.000 1.027 99 S CA 0.557 58.491 58.200 -0.443 0.000 0.991 99 S CB -0.216 62.513 63.200 -0.785 0.000 0.823 99 S HN 0.467 nan 8.310 nan 0.000 0.469 100 Y N 1.340 121.693 120.300 0.087 0.000 2.301 100 Y HA 0.418 4.966 4.550 -0.002 0.000 0.325 100 Y C 0.917 176.876 175.900 0.098 0.000 1.203 100 Y CA -0.658 57.518 58.100 0.127 0.000 1.255 100 Y CB 0.559 39.182 38.460 0.271 0.000 1.232 100 Y HN -0.089 nan 8.280 nan 0.000 0.501 101 R N 1.027 121.670 120.500 0.239 0.000 2.540 101 R HA 0.518 4.857 4.340 -0.002 0.000 0.287 101 R C 0.583 176.971 176.300 0.147 0.000 0.980 101 R CA -0.097 56.088 56.100 0.141 0.000 0.966 101 R CB 1.367 31.724 30.300 0.096 0.000 1.106 101 R HN 0.967 nan 8.270 nan 0.000 0.480 102 G N 2.107 110.973 108.800 0.110 0.000 2.574 102 G HA2 -0.409 3.550 3.960 -0.002 0.000 0.282 102 G HA3 -0.409 3.550 3.960 -0.002 0.000 0.282 102 G C -0.310 174.668 174.900 0.129 0.000 1.257 102 G CA 0.209 45.371 45.100 0.103 0.000 0.956 102 G HN 0.878 nan 8.290 nan 0.000 0.560 103 N N -0.625 118.143 118.700 0.114 0.000 2.714 103 N HA -0.183 4.556 4.740 -0.002 0.000 0.253 103 N C 1.419 177.011 175.510 0.138 0.000 1.024 103 N CA 1.307 54.434 53.050 0.129 0.000 0.726 103 N CB -0.410 38.181 38.487 0.174 0.000 0.908 103 N HN 0.709 nan 8.380 nan 0.000 0.542 104 R N 0.275 120.829 120.500 0.091 0.000 2.093 104 R HA 0.135 4.474 4.340 -0.002 0.000 0.224 104 R C 2.382 178.710 176.300 0.048 0.000 1.101 104 R CA 1.176 57.313 56.100 0.062 0.000 0.979 104 R CB 0.006 30.334 30.300 0.047 0.000 0.877 104 R HN 0.351 nan 8.270 nan 0.000 0.441 105 M N 0.005 119.636 119.600 0.052 0.000 2.108 105 M HA -0.158 4.321 4.480 -0.002 0.000 0.261 105 M C 2.504 178.832 176.300 0.048 0.000 1.066 105 M CA 1.853 57.175 55.300 0.036 0.000 1.107 105 M CB -0.393 32.231 32.600 0.039 0.000 1.356 105 M HN 0.213 nan 8.290 nan 0.000 0.406 106 A N 0.788 123.665 122.820 0.094 0.000 1.877 106 A HA -0.151 4.168 4.320 -0.002 0.000 0.216 106 A C 2.196 179.910 177.584 0.216 0.000 1.186 106 A CA 1.382 53.515 52.037 0.160 0.000 0.620 106 A CB -0.581 18.534 19.000 0.193 0.000 0.822 106 A HN 0.399 nan 8.150 nan 0.000 0.443 107 R N -0.155 120.448 120.500 0.171 0.000 2.103 107 R HA -0.161 4.178 4.340 -0.002 0.000 0.242 107 R C 2.319 178.586 176.300 -0.054 0.000 1.142 107 R CA 1.471 57.531 56.100 -0.066 0.000 0.960 107 R CB -1.106 29.124 30.300 -0.117 0.000 0.858 107 R HN 0.528 nan 8.270 nan 0.000 0.439 108 A N 1.272 124.079 122.820 -0.020 0.000 2.015 108 A HA -0.093 4.226 4.320 -0.002 0.000 0.219 108 A C 2.290 179.839 177.584 -0.058 0.000 1.163 108 A CA 1.179 53.186 52.037 -0.050 0.000 0.646 108 A CB -0.392 18.566 19.000 -0.070 0.000 0.806 108 A HN 0.196 nan 8.150 nan 0.000 0.448 109 M N -0.942 118.641 119.600 -0.029 0.000 2.175 109 M HA -0.117 4.362 4.480 -0.002 0.000 0.264 109 M C 2.071 178.362 176.300 -0.015 0.000 1.063 109 M CA 1.283 56.566 55.300 -0.029 0.000 1.119 109 M CB -0.435 32.168 32.600 0.004 0.000 1.377 109 M HN 0.261 nan 8.290 nan 0.000 0.415 110 V N 0.066 119.975 119.914 -0.009 0.000 2.255 110 V HA -0.206 3.913 4.120 -0.002 0.000 0.243 110 V C 2.457 178.528 176.094 -0.039 0.000 1.038 110 V CA 1.748 64.030 62.300 -0.031 0.000 1.008 110 V CB -0.687 31.094 31.823 -0.071 0.000 0.645 110 V HN 0.455 nan 8.190 nan 0.000 0.449 111 E N 0.093 120.269 120.200 -0.040 0.000 2.049 111 E HA -0.262 4.087 4.350 -0.002 0.000 0.198 111 E C 2.185 178.900 176.600 0.190 0.000 1.007 111 E CA 2.093 58.511 56.400 0.029 0.000 0.809 111 E CB -0.196 29.535 29.700 0.051 0.000 0.749 111 E HN 0.561 nan 8.360 nan 0.000 0.450 112 M N -0.182 119.507 119.600 0.147 0.000 2.175 112 M HA -0.087 4.392 4.480 -0.002 0.000 0.264 112 M C 2.426 178.896 176.300 0.283 0.000 1.063 112 M CA 1.401 56.846 55.300 0.242 0.000 1.119 112 M CB -0.199 32.291 32.600 -0.184 0.000 1.377 112 M HN 0.097 nan 8.290 nan 0.000 0.415 113 A N 0.553 123.448 122.820 0.125 0.000 1.972 113 A HA -0.051 4.268 4.320 -0.002 0.000 0.219 113 A C 2.378 180.017 177.584 0.092 0.000 1.169 113 A CA 1.885 53.992 52.037 0.117 0.000 0.635 113 A CB -0.857 18.167 19.000 0.040 0.000 0.810 113 A HN 0.490 nan 8.150 nan 0.000 0.446 114 A N -1.429 121.424 122.820 0.055 0.000 1.898 114 A HA -0.113 4.206 4.320 -0.002 0.000 0.216 114 A C 1.946 179.498 177.584 -0.054 0.000 1.181 114 A CA 1.259 53.275 52.037 -0.035 0.000 0.620 114 A CB -0.857 18.082 19.000 -0.101 0.000 0.819 114 A HN 0.723 nan 8.150 nan 0.000 0.442 115 W N 0.152 121.505 121.300 0.088 0.000 2.333 115 W HA -0.200 4.459 4.660 -0.001 0.000 0.316 115 W C 2.123 178.677 176.519 0.058 0.000 1.215 115 W CA 1.625 59.049 57.345 0.132 0.000 1.278 115 W CB -0.308 29.248 29.460 0.160 0.000 1.154 115 W HN 0.457 nan 8.180 nan 0.000 0.486 116 D N 0.008 120.584 120.400 0.292 0.000 2.092 116 D HA -0.213 4.426 4.640 -0.002 0.000 0.193 116 D C 2.045 178.347 176.300 0.004 0.000 0.994 116 D CA 1.646 55.703 54.000 0.095 0.000 0.828 116 D CB -0.641 40.224 40.800 0.108 0.000 0.963 116 D HN -0.003 nan 8.370 nan 0.000 0.450 117 L N 0.727 121.941 121.223 -0.015 0.000 1.990 117 L HA -0.133 4.206 4.340 -0.002 0.000 0.213 117 L C 2.244 179.007 176.870 -0.177 0.000 1.072 117 L CA 2.106 56.887 54.840 -0.099 0.000 0.755 117 L CB -1.140 40.851 42.059 -0.113 0.000 0.889 117 L HN 0.434 nan 8.230 nan 0.000 0.432 118 W N 0.449 121.441 121.300 -0.514 0.000 2.332 118 W HA -0.325 4.334 4.660 -0.002 0.000 0.321 118 W C 2.212 178.570 176.519 -0.269 0.000 1.219 118 W CA 1.948 58.927 57.345 -0.611 0.000 1.277 118 W CB -0.374 28.689 29.460 -0.661 0.000 1.161 118 W HN 0.377 nan 8.180 nan 0.000 0.476 119 A N 1.275 123.946 122.820 -0.249 0.000 1.958 119 A HA -0.273 4.046 4.320 -0.002 0.000 0.221 119 A C 1.986 179.406 177.584 -0.273 0.000 1.178 119 A CA 2.272 54.128 52.037 -0.302 0.000 0.642 119 A CB -0.966 17.963 19.000 -0.119 0.000 0.816 119 A HN 0.495 nan 8.150 nan 0.000 0.453 120 R N -0.940 119.444 120.500 -0.194 0.000 2.115 120 R HA -0.057 4.282 4.340 -0.002 0.000 0.226 120 R C 2.424 178.636 176.300 -0.146 0.000 1.100 120 R CA 1.555 57.568 56.100 -0.145 0.000 0.980 120 R CB -0.578 29.664 30.300 -0.097 0.000 0.875 120 R HN 0.769 nan 8.270 nan 0.000 0.445 121 T N -0.969 113.479 114.554 -0.176 0.000 2.929 121 T HA -0.050 4.299 4.350 -0.002 0.000 0.271 121 T C 1.707 176.292 174.700 -0.192 0.000 1.085 121 T CA 0.949 62.968 62.100 -0.134 0.000 1.125 121 T CB -0.053 68.775 68.868 -0.066 0.000 0.874 121 T HN 0.149 nan 8.240 nan 0.000 0.494 122 L N 0.115 121.144 121.223 -0.323 0.000 2.554 122 L HA 0.391 4.730 4.340 -0.002 0.000 0.225 122 L C 2.006 178.754 176.870 -0.205 0.000 1.104 122 L CA 0.333 54.980 54.840 -0.321 0.000 0.866 122 L CB -0.374 41.368 42.059 -0.528 0.000 1.047 122 L HN 0.553 nan 8.230 nan 0.000 0.468 123 G N 1.148 109.844 108.800 -0.173 0.000 2.176 123 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.252 123 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.252 123 G C -0.046 174.786 174.900 -0.113 0.000 1.024 123 G CA 0.240 45.269 45.100 -0.118 0.000 0.755 123 G HN 0.142 nan 8.290 nan 0.000 0.507 124 V N 0.325 120.152 119.914 -0.147 0.000 2.555 124 V HA 0.541 4.660 4.120 -0.002 0.000 0.302 124 V C -1.779 174.253 176.094 -0.103 0.000 1.038 124 V CA -2.057 60.174 62.300 -0.114 0.000 0.887 124 V CB 2.131 33.876 31.823 -0.131 0.000 0.991 124 V HN 0.066 nan 8.190 nan 0.000 0.434 125 P HA 0.027 nan 4.420 nan 0.000 0.267 125 P C 0.589 177.842 177.300 -0.077 0.000 1.200 125 P CA -0.093 62.988 63.100 -0.031 0.000 0.772 125 P CB 0.631 32.379 31.700 0.080 0.000 0.855 126 L N 3.946 125.024 121.223 -0.242 0.000 2.027 126 L HA -0.029 4.310 4.340 -0.002 0.000 0.206 126 L C 2.231 179.023 176.870 -0.130 0.000 1.074 126 L CA 2.530 57.216 54.840 -0.256 0.000 0.745 126 L CB -1.691 40.046 42.059 -0.535 0.000 0.898 126 L HN 0.511 nan 8.230 nan 0.000 0.433 127 G N -1.845 107.021 108.800 0.111 0.000 2.442 127 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.219 127 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.219 127 G C 1.426 176.308 174.900 -0.029 0.000 1.141 127 G CA 1.235 46.342 45.100 0.011 0.000 0.763 127 G HN 0.445 nan 8.290 nan 0.000 0.554 128 T N 1.306 115.868 114.554 0.015 0.000 2.652 128 T HA -0.070 4.278 4.350 -0.002 0.000 0.267 128 T C 2.384 177.093 174.700 0.016 0.000 1.039 128 T CA 0.995 63.106 62.100 0.019 0.000 1.153 128 T CB -0.254 68.626 68.868 0.019 0.000 0.863 128 T HN 0.148 nan 8.240 nan 0.000 0.428 129 L N 0.375 121.605 121.223 0.011 0.000 2.131 129 L HA -0.007 4.332 4.340 -0.002 0.000 0.210 129 L C 2.323 179.221 176.870 0.047 0.000 1.092 129 L CA 0.985 55.870 54.840 0.076 0.000 0.759 129 L CB -0.433 41.730 42.059 0.173 0.000 0.903 129 L HN 0.281 nan 8.230 nan 0.000 0.435 130 L N -0.873 120.284 121.223 -0.111 0.000 2.376 130 L HA 0.004 4.343 4.340 -0.002 0.000 0.219 130 L C 1.510 178.324 176.870 -0.093 0.000 1.133 130 L CA 0.854 55.569 54.840 -0.209 0.000 0.816 130 L CB -0.351 41.485 42.059 -0.373 0.000 0.933 130 L HN 0.535 nan 8.230 nan 0.000 0.449 131 G N -0.702 108.078 108.800 -0.034 0.000 2.192 131 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.193 131 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.193 131 G C 0.476 175.388 174.900 0.020 0.000 0.999 131 G CA -0.353 44.759 45.100 0.020 0.000 0.659 131 G HN 0.474 nan 8.290 nan 0.000 0.503 132 G N -0.254 108.521 108.800 -0.042 0.000 2.476 132 G HA2 0.609 4.568 3.960 -0.002 0.000 0.269 132 G HA3 0.609 4.568 3.960 -0.002 0.000 0.269 132 G C 0.072 174.956 174.900 -0.025 0.000 1.195 132 G CA 0.191 45.233 45.100 -0.096 0.000 0.843 132 G HN 1.318 nan 8.290 nan 0.000 0.545 133 H N -1.674 117.392 119.070 -0.007 0.000 2.767 133 H HA 0.391 4.946 4.556 -0.002 0.000 0.235 133 H C 0.073 175.393 175.328 -0.012 0.000 1.256 133 H CA -0.715 55.327 56.048 -0.010 0.000 0.957 133 H CB -0.156 29.607 29.762 0.002 0.000 2.117 133 H HN 0.293 nan 8.280 nan 0.000 0.602 134 K N 0.667 121.020 120.400 -0.077 0.000 2.144 134 K HA 0.201 4.520 4.320 -0.002 0.000 0.270 134 K C 0.100 176.676 176.600 -0.041 0.000 1.005 134 K CA -0.375 55.886 56.287 -0.042 0.000 0.932 134 K CB 1.580 34.038 32.500 -0.070 0.000 1.021 134 K HN 0.401 nan 8.250 nan 0.000 0.462 135 E N 0.904 121.088 120.200 -0.027 0.000 2.431 135 E HA -0.003 4.346 4.350 -0.002 0.000 0.200 135 E C -0.288 176.277 176.600 -0.060 0.000 0.995 135 E CA 0.375 56.749 56.400 -0.043 0.000 0.915 135 E CB 0.697 30.386 29.700 -0.019 0.000 0.930 135 E HN 0.385 nan 8.360 nan 0.000 0.496 136 Q N 0.250 120.020 119.800 -0.050 0.000 2.416 136 Q HA 0.445 4.784 4.340 -0.002 0.000 0.281 136 Q C -1.406 174.570 176.000 -0.041 0.000 1.067 136 Q CA -0.888 54.886 55.803 -0.048 0.000 0.809 136 Q CB 3.343 32.063 28.738 -0.030 0.000 1.418 136 Q HN 0.015 nan 8.270 nan 0.000 0.411 137 V N -1.752 118.140 119.914 -0.036 0.000 2.604 137 V HA 0.555 4.674 4.120 -0.002 0.000 0.305 137 V C -0.551 175.553 176.094 0.016 0.000 1.043 137 V CA -0.833 61.458 62.300 -0.014 0.000 0.888 137 V CB 1.821 33.618 31.823 -0.042 0.000 0.995 137 V HN 0.724 nan 8.190 nan 0.000 0.429 138 E N 2.825 123.049 120.200 0.041 0.000 2.338 138 E HA 0.509 4.858 4.350 -0.002 0.000 0.272 138 E C -0.315 176.335 176.600 0.082 0.000 1.029 138 E CA -0.383 56.046 56.400 0.049 0.000 0.872 138 E CB 1.919 31.650 29.700 0.051 0.000 1.015 138 E HN 0.930 nan 8.360 nan 0.000 0.417 139 V N -0.716 119.253 119.914 0.092 0.000 2.823 139 V HA 0.886 5.005 4.120 -0.002 0.000 0.312 139 V C 0.157 176.383 176.094 0.221 0.000 1.072 139 V CA -0.720 61.676 62.300 0.160 0.000 0.937 139 V CB 1.766 33.705 31.823 0.193 0.000 1.013 139 V HN 0.699 nan 8.190 nan 0.000 0.430 140 G N 0.396 109.294 108.800 0.162 0.000 3.013 140 G HA2 0.746 4.705 3.960 -0.002 0.000 0.278 140 G HA3 0.746 4.705 3.960 -0.002 0.000 0.278 140 G C -1.326 173.486 174.900 -0.145 0.000 1.353 140 G CA -0.737 44.395 45.100 0.053 0.000 1.043 140 G HN 1.389 nan 8.290 nan 0.000 0.523 141 V N -0.750 118.960 119.914 -0.340 0.000 2.925 141 V HA 0.739 4.858 4.120 -0.002 0.000 0.311 141 V C -0.701 175.194 176.094 -0.332 0.000 1.104 141 V CA -0.636 61.327 62.300 -0.561 0.000 0.954 141 V CB 2.373 33.486 31.823 -1.183 0.000 1.022 141 V HN 0.834 nan 8.190 nan 0.000 0.427 142 S N 6.510 122.062 115.700 -0.247 0.000 2.454 142 S HA 0.798 5.267 4.470 -0.002 0.000 0.306 142 S C -1.071 173.462 174.600 -0.111 0.000 1.100 142 S CA -0.505 57.620 58.200 -0.125 0.000 1.087 142 S CB 1.328 64.511 63.200 -0.028 0.000 1.019 142 S HN 0.511 nan 8.310 nan 0.000 0.480 143 L N 2.564 123.753 121.223 -0.056 0.000 2.322 143 L HA 0.642 4.981 4.340 -0.002 0.000 0.281 143 L C 1.018 177.909 176.870 0.035 0.000 1.014 143 L CA -0.268 54.570 54.840 -0.005 0.000 0.815 143 L CB 0.786 42.862 42.059 0.028 0.000 1.247 143 L HN 0.799 nan 8.230 nan 0.000 0.421 144 G N 2.520 111.345 108.800 0.042 0.000 2.631 144 G HA2 0.372 4.331 3.960 -0.002 0.000 0.271 144 G HA3 0.372 4.331 3.960 -0.002 0.000 0.271 144 G C 0.086 175.043 174.900 0.095 0.000 1.302 144 G CA -0.686 44.451 45.100 0.061 0.000 1.002 144 G HN 0.524 nan 8.290 nan 0.000 0.519 145 I N 1.202 121.835 120.570 0.104 0.000 2.533 145 I HA 0.071 4.240 4.170 -0.002 0.000 0.284 145 I C 0.272 176.430 176.117 0.069 0.000 1.109 145 I CA -0.070 61.317 61.300 0.145 0.000 1.412 145 I CB 0.822 38.886 38.000 0.107 0.000 1.396 145 I HN 0.347 nan 8.210 nan 0.000 0.543 146 Q N 4.728 124.603 119.800 0.125 0.000 2.195 146 Q HA 0.412 4.750 4.340 -0.002 0.000 0.250 146 Q C 0.846 176.785 176.000 -0.101 0.000 0.988 146 Q CA -0.554 55.274 55.803 0.043 0.000 0.911 146 Q CB 1.247 30.048 28.738 0.106 0.000 1.258 146 Q HN 0.751 nan 8.270 nan 0.000 0.475 147 A N 0.640 123.397 122.820 -0.105 0.000 1.972 147 A HA -0.140 4.179 4.320 -0.002 0.000 0.219 147 A C 0.270 177.695 177.584 -0.265 0.000 1.169 147 A CA 2.285 54.206 52.037 -0.193 0.000 0.635 147 A CB -0.220 18.716 19.000 -0.106 0.000 0.810 147 A HN 0.824 nan 8.150 nan 0.000 0.446 148 D N -4.297 116.067 120.400 -0.060 0.000 2.851 148 D HA 0.245 4.884 4.640 -0.002 0.000 0.339 148 D C 0.154 176.693 176.300 0.398 0.000 1.347 148 D CA -0.220 53.846 54.000 0.111 0.000 0.888 148 D CB -0.245 40.593 40.800 0.064 0.000 1.431 148 D HN -0.003 nan 8.370 nan 0.000 0.509 149 E N -0.629 119.806 120.200 0.392 0.000 2.076 149 E HA -0.101 4.248 4.350 -0.002 0.000 0.190 149 E C 1.735 178.416 176.600 0.135 0.000 0.979 149 E CA 0.800 57.346 56.400 0.243 0.000 0.807 149 E CB 0.039 29.817 29.700 0.129 0.000 0.761 149 E HN 0.389 nan 8.360 nan 0.000 0.454 150 Q N 0.282 120.146 119.800 0.106 0.000 2.061 150 Q HA -0.170 4.169 4.340 -0.002 0.000 0.204 150 Q C 2.220 178.262 176.000 0.069 0.000 0.984 150 Q CA 1.485 57.329 55.803 0.068 0.000 0.846 150 Q CB -0.156 28.611 28.738 0.049 0.000 0.902 150 Q HN 0.242 nan 8.270 nan 0.000 0.421 151 A N 0.001 122.868 122.820 0.078 0.000 2.066 151 A HA -0.103 4.216 4.320 -0.002 0.000 0.218 151 A C 2.098 179.730 177.584 0.080 0.000 1.157 151 A CA 1.446 53.520 52.037 0.062 0.000 0.670 151 A CB -0.385 18.643 19.000 0.046 0.000 0.804 151 A HN 0.319 nan 8.150 nan 0.000 0.453 152 T N -0.307 114.320 114.554 0.122 0.000 2.701 152 T HA -0.105 4.244 4.350 -0.002 0.000 0.263 152 T C 1.871 176.621 174.700 0.084 0.000 1.040 152 T CA 1.575 63.746 62.100 0.118 0.000 1.147 152 T CB -0.492 68.466 68.868 0.149 0.000 0.865 152 T HN 0.141 nan 8.240 nan 0.000 0.426 153 V N 2.017 121.985 119.914 0.090 0.000 2.407 153 V HA -0.201 3.918 4.120 -0.002 0.000 0.248 153 V C 2.364 178.533 176.094 0.125 0.000 1.055 153 V CA 2.029 64.403 62.300 0.123 0.000 1.049 153 V CB -0.732 31.155 31.823 0.108 0.000 0.662 153 V HN 0.518 nan 8.190 nan 0.000 0.455 154 D N -0.274 120.170 120.400 0.074 0.000 2.097 154 D HA -0.197 4.442 4.640 -0.002 0.000 0.195 154 D C 1.943 178.244 176.300 0.002 0.000 0.989 154 D CA 1.206 55.233 54.000 0.044 0.000 0.827 154 D CB -0.090 40.723 40.800 0.022 0.000 0.966 154 D HN 0.276 nan 8.370 nan 0.000 0.456 155 L N -0.168 121.049 121.223 -0.010 0.000 2.093 155 L HA -0.025 4.314 4.340 -0.002 0.000 0.208 155 L C 2.221 179.039 176.870 -0.087 0.000 1.085 155 L CA 1.055 55.849 54.840 -0.077 0.000 0.755 155 L CB -0.384 41.668 42.059 -0.013 0.000 0.904 155 L HN 0.037 nan 8.230 nan 0.000 0.435 156 V N -0.314 119.596 119.914 -0.007 0.000 2.343 156 V HA -0.294 3.825 4.120 -0.002 0.000 0.247 156 V C 2.758 178.763 176.094 -0.147 0.000 1.051 156 V CA 2.042 64.311 62.300 -0.053 0.000 1.036 156 V CB -0.654 31.133 31.823 -0.060 0.000 0.654 156 V HN 0.473 nan 8.190 nan 0.000 0.451 157 R N -0.058 120.437 120.500 -0.008 0.000 2.081 157 R HA -0.201 4.138 4.340 -0.002 0.000 0.235 157 R C 2.544 178.840 176.300 -0.008 0.000 1.131 157 R CA 1.867 58.026 56.100 0.098 0.000 0.960 157 R CB -0.301 30.169 30.300 0.285 0.000 0.856 157 R HN 0.485 nan 8.270 nan 0.000 0.436 158 R N -0.395 120.052 120.500 -0.088 0.000 2.094 158 R HA -0.212 4.127 4.340 -0.002 0.000 0.239 158 R C 1.939 178.166 176.300 -0.122 0.000 1.137 158 R CA 2.109 58.111 56.100 -0.162 0.000 0.943 158 R CB -0.419 29.677 30.300 -0.341 0.000 0.850 158 R HN 0.414 nan 8.270 nan 0.000 0.433 159 H N -0.380 118.685 119.070 -0.008 0.000 2.395 159 H HA -0.021 4.534 4.556 -0.002 0.000 0.299 159 H C 2.269 177.625 175.328 0.046 0.000 1.070 159 H CA 1.416 57.497 56.048 0.055 0.000 1.356 159 H CB -0.197 29.543 29.762 -0.037 0.000 1.401 159 H HN 0.094 nan 8.280 nan 0.000 0.524 160 V N 1.161 121.071 119.914 -0.007 0.000 2.469 160 V HA -0.218 3.901 4.120 -0.002 0.000 0.251 160 V C 2.453 178.542 176.094 -0.009 0.000 1.064 160 V CA 1.995 64.237 62.300 -0.097 0.000 1.066 160 V CB -0.311 31.278 31.823 -0.391 0.000 0.667 160 V HN 0.296 nan 8.190 nan 0.000 0.461 161 E N 0.159 120.370 120.200 0.018 0.000 2.152 161 E HA -0.169 4.180 4.350 -0.002 0.000 0.192 161 E C 2.171 178.781 176.600 0.016 0.000 0.983 161 E CA 0.962 57.378 56.400 0.027 0.000 0.818 161 E CB -0.164 29.554 29.700 0.030 0.000 0.758 161 E HN 0.668 nan 8.360 nan 0.000 0.467 162 Q N -1.077 118.750 119.800 0.044 0.000 2.472 162 Q HA 0.106 4.445 4.340 -0.002 0.000 0.208 162 Q C 0.883 176.809 176.000 -0.123 0.000 0.958 162 Q CA 0.593 56.396 55.803 -0.000 0.000 0.932 162 Q CB 0.387 29.196 28.738 0.118 0.000 1.007 162 Q HN 0.404 nan 8.270 nan 0.000 0.508 163 G N 0.041 108.797 108.800 -0.075 0.000 2.132 163 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.234 163 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.234 163 G C -0.374 174.429 174.900 -0.163 0.000 0.989 163 G CA -0.449 44.582 45.100 -0.114 0.000 0.676 163 G HN 0.323 nan 8.290 nan 0.000 0.522 164 Y N 0.271 120.555 120.300 -0.027 0.000 2.597 164 Y HA 0.274 4.822 4.550 -0.002 0.000 0.336 164 Y C 1.978 177.841 175.900 -0.062 0.000 1.216 164 Y CA 0.113 58.185 58.100 -0.048 0.000 1.463 164 Y CB 0.536 38.952 38.460 -0.073 0.000 1.303 164 Y HN 0.052 nan 8.280 nan 0.000 0.576 165 R N 2.383 122.941 120.500 0.097 0.000 2.359 165 R HA 0.183 4.522 4.340 -0.002 0.000 0.231 165 R C 0.073 176.366 176.300 -0.011 0.000 0.913 165 R CA 0.101 56.214 56.100 0.022 0.000 1.075 165 R CB 0.198 30.508 30.300 0.017 0.000 1.087 165 R HN 0.526 nan 8.270 nan 0.000 0.515 166 R N 0.893 121.383 120.500 -0.018 0.000 2.644 166 R HA 0.235 4.574 4.340 -0.002 0.000 0.257 166 R C -1.853 174.371 176.300 -0.126 0.000 1.082 166 R CA -0.441 55.598 56.100 -0.101 0.000 0.927 166 R CB 1.249 31.458 30.300 -0.152 0.000 1.258 166 R HN -0.111 nan 8.270 nan 0.000 0.459 167 I N 3.681 124.152 120.570 -0.164 0.000 2.406 167 I HA 0.414 4.583 4.170 -0.002 0.000 0.290 167 I C 0.032 176.038 176.117 -0.184 0.000 0.999 167 I CA -0.725 60.474 61.300 -0.169 0.000 1.124 167 I CB 1.657 39.565 38.000 -0.154 0.000 1.289 167 I HN 0.396 nan 8.210 nan 0.000 0.441 168 K N 7.571 127.871 120.400 -0.167 0.000 2.274 168 K HA 0.592 4.911 4.320 -0.002 0.000 0.262 168 K C -1.426 175.132 176.600 -0.071 0.000 0.961 168 K CA -0.555 55.651 56.287 -0.134 0.000 0.833 168 K CB 1.540 33.973 32.500 -0.112 0.000 1.102 168 K HN 0.553 nan 8.250 nan 0.000 0.436 169 L N 3.525 124.718 121.223 -0.050 0.000 2.295 169 L HA 0.424 4.763 4.340 -0.002 0.000 0.285 169 L C 0.260 177.156 176.870 0.043 0.000 1.035 169 L CA -0.923 53.913 54.840 -0.006 0.000 0.806 169 L CB 1.439 43.481 42.059 -0.029 0.000 1.214 169 L HN 0.466 nan 8.230 nan 0.000 0.426 170 K N 4.139 124.588 120.400 0.081 0.000 2.368 170 K HA 0.450 4.769 4.320 -0.002 0.000 0.282 170 K C -0.531 176.165 176.600 0.159 0.000 1.035 170 K CA -0.143 56.218 56.287 0.124 0.000 0.973 170 K CB 0.626 33.203 32.500 0.128 0.000 0.957 170 K HN 0.567 nan 8.250 nan 0.000 0.474 171 I N 0.296 120.973 120.570 0.179 0.000 3.002 171 I HA 0.622 4.791 4.170 -0.002 0.000 0.310 171 I C -1.349 174.931 176.117 0.272 0.000 1.087 171 I CA -1.014 60.415 61.300 0.214 0.000 1.017 171 I CB 2.196 40.292 38.000 0.160 0.000 1.226 171 I HN 0.666 nan 8.210 nan 0.000 0.443 172 K N 1.819 122.379 120.400 0.267 0.000 2.548 172 K HA 0.638 4.957 4.320 -0.002 0.000 0.282 172 K C -3.303 173.307 176.600 0.016 0.000 1.006 172 K CA -1.773 54.573 56.287 0.098 0.000 0.892 172 K CB 1.510 34.047 32.500 0.062 0.000 1.499 172 K HN 0.253 nan 8.250 nan 0.000 0.433 173 P HA 0.043 nan 4.420 nan 0.000 0.268 173 P C 0.578 177.893 177.300 0.025 0.000 1.205 173 P CA 1.464 64.455 63.100 -0.181 0.000 0.771 173 P CB 0.593 32.101 31.700 -0.319 0.000 0.858 174 G N 1.019 109.882 108.800 0.104 0.000 2.253 174 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.251 174 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.251 174 G C -0.276 174.812 174.900 0.314 0.000 0.998 174 G CA -0.103 45.092 45.100 0.158 0.000 0.621 174 G HN 0.615 nan 8.290 nan 0.000 0.524 175 W N 1.647 122.969 121.300 0.036 0.000 2.073 175 W HA 0.449 5.108 4.660 -0.001 0.000 0.295 175 W C -0.096 176.464 176.519 0.069 0.000 1.005 175 W CA 0.343 57.711 57.345 0.039 0.000 1.451 175 W CB 0.423 29.897 29.460 0.022 0.000 1.515 175 W HN 0.336 nan 8.180 nan 0.000 0.341 176 D N -0.667 119.642 120.400 -0.152 0.000 2.846 176 D HA 0.001 4.640 4.640 -0.002 0.000 0.200 176 D C 1.498 177.648 176.300 -0.250 0.000 1.421 176 D CA 0.171 54.093 54.000 -0.130 0.000 1.400 176 D CB 0.295 41.155 40.800 0.100 0.000 1.461 176 D HN -0.106 nan 8.370 nan 0.000 0.352 177 V N 0.771 120.586 119.914 -0.166 0.000 2.594 177 V HA -0.204 3.915 4.120 -0.002 0.000 0.253 177 V C 2.093 177.992 176.094 -0.325 0.000 1.069 177 V CA 1.960 64.159 62.300 -0.168 0.000 1.082 177 V CB -0.689 31.118 31.823 -0.027 0.000 0.680 177 V HN 0.136 nan 8.190 nan 0.000 0.469 178 Q N 0.225 119.762 119.800 -0.439 0.000 1.994 178 Q HA -0.055 4.284 4.340 -0.002 0.000 0.198 178 Q C 0.053 175.681 176.000 -0.619 0.000 0.976 178 Q CA 1.756 57.250 55.803 -0.515 0.000 0.828 178 Q CB -1.712 26.678 28.738 -0.580 0.000 0.894 178 Q HN 0.498 nan 8.270 nan 0.000 0.432 179 P HA -0.143 nan 4.420 nan 0.000 0.216 179 P C 1.236 178.308 177.300 -0.380 0.000 1.150 179 P CA 1.220 63.972 63.100 -0.580 0.000 0.837 179 P CB 0.017 31.340 31.700 -0.627 0.000 0.786 180 V N 0.617 120.281 119.914 -0.417 0.000 2.358 180 V HA -0.184 3.935 4.120 -0.002 0.000 0.246 180 V C 2.996 178.745 176.094 -0.574 0.000 1.047 180 V CA 1.838 63.905 62.300 -0.388 0.000 1.035 180 V CB -1.138 30.487 31.823 -0.330 0.000 0.658 180 V HN 0.069 nan 8.190 nan 0.000 0.452 181 R N 0.356 120.397 120.500 -0.765 0.000 2.073 181 R HA -0.178 4.161 4.340 -0.002 0.000 0.234 181 R C 2.324 178.402 176.300 -0.369 0.000 1.134 181 R CA 1.777 57.360 56.100 -0.862 0.000 0.952 181 R CB -0.488 29.479 30.300 -0.555 0.000 0.850 181 R HN 0.468 nan 8.270 nan 0.000 0.433 182 A N 0.048 122.713 122.820 -0.258 0.000 1.883 182 A HA -0.158 4.161 4.320 -0.002 0.000 0.217 182 A C 2.214 179.756 177.584 -0.071 0.000 1.186 182 A CA 2.147 54.108 52.037 -0.127 0.000 0.624 182 A CB -1.006 17.936 19.000 -0.096 0.000 0.822 182 A HN 0.493 nan 8.150 nan 0.000 0.444 183 T N -0.725 113.783 114.554 -0.076 0.000 2.708 183 T HA -0.133 4.216 4.350 -0.002 0.000 0.266 183 T C 2.124 176.871 174.700 0.078 0.000 1.037 183 T CA 1.703 63.825 62.100 0.037 0.000 1.146 183 T CB -0.237 68.627 68.868 -0.007 0.000 0.865 183 T HN 0.454 nan 8.240 nan 0.000 0.435 184 R N 1.373 121.862 120.500 -0.018 0.000 2.120 184 R HA 0.007 4.346 4.340 -0.002 0.000 0.234 184 R C 2.110 178.442 176.300 0.053 0.000 1.123 184 R CA 1.469 57.596 56.100 0.045 0.000 0.975 184 R CB -0.478 29.860 30.300 0.062 0.000 0.866 184 R HN 0.483 nan 8.270 nan 0.000 0.446 185 E N -0.882 119.321 120.200 0.005 0.000 2.072 185 E HA -0.074 4.275 4.350 -0.002 0.000 0.191 185 E C 1.699 178.257 176.600 -0.070 0.000 0.985 185 E CA 1.301 57.694 56.400 -0.011 0.000 0.801 185 E CB -0.108 29.579 29.700 -0.022 0.000 0.750 185 E HN 0.454 nan 8.360 nan 0.000 0.452 186 A N -0.192 122.564 122.820 -0.107 0.000 2.014 186 A HA -0.020 4.299 4.320 -0.002 0.000 0.218 186 A C 0.501 177.721 177.584 -0.607 0.000 1.163 186 A CA 0.742 52.575 52.037 -0.340 0.000 0.652 186 A CB 0.083 18.880 19.000 -0.337 0.000 0.808 186 A HN 0.209 nan 8.150 nan 0.000 0.449 187 F N -1.269 118.672 119.950 -0.014 0.000 2.769 187 F HA 0.340 4.867 4.527 0.001 0.000 0.358 187 F C -2.160 173.635 175.800 -0.007 0.000 1.285 187 F CA -1.624 56.370 58.000 -0.011 0.000 1.199 187 F CB 1.786 40.778 39.000 -0.014 0.000 1.558 187 F HN 0.003 nan 8.300 nan 0.000 0.583 188 P HA -0.049 nan 4.420 nan 0.000 0.230 188 P C 0.426 177.770 177.300 0.073 0.000 1.158 188 P CA 1.275 64.419 63.100 0.073 0.000 0.769 188 P CB 0.385 32.106 31.700 0.034 0.000 0.807 189 D N -1.288 119.168 120.400 0.093 0.000 2.498 189 D HA 0.108 4.747 4.640 -0.002 0.000 0.223 189 D C 1.083 177.413 176.300 0.049 0.000 1.125 189 D CA -0.101 53.935 54.000 0.062 0.000 0.835 189 D CB 0.262 41.093 40.800 0.052 0.000 1.086 189 D HN 0.243 nan 8.370 nan 0.000 0.510 190 I N -0.219 120.392 120.570 0.068 0.000 2.948 190 I HA 0.034 4.203 4.170 -0.002 0.000 0.290 190 I C 0.676 176.774 176.117 -0.032 0.000 1.226 190 I CA -0.380 60.921 61.300 0.001 0.000 1.413 190 I CB 0.633 38.595 38.000 -0.064 0.000 1.352 190 I HN -0.315 nan 8.210 nan 0.000 0.597 191 R N 4.688 125.151 120.500 -0.061 0.000 2.351 191 R HA 0.381 4.720 4.340 -0.002 0.000 0.318 191 R C -1.277 174.938 176.300 -0.143 0.000 1.055 191 R CA -0.460 55.582 56.100 -0.097 0.000 0.968 191 R CB 0.387 30.628 30.300 -0.098 0.000 0.974 191 R HN 0.689 nan 8.270 nan 0.000 0.439 192 L N 4.631 125.759 121.223 -0.159 0.000 2.362 192 L HA 0.499 4.838 4.340 -0.002 0.000 0.275 192 L C -0.760 175.948 176.870 -0.270 0.000 0.998 192 L CA -0.029 54.705 54.840 -0.178 0.000 0.820 192 L CB 2.157 44.152 42.059 -0.107 0.000 1.270 192 L HN 0.846 nan 8.230 nan 0.000 0.415 193 T N 1.797 116.156 114.554 -0.326 0.000 2.901 193 T HA 0.831 5.180 4.350 -0.002 0.000 0.293 193 T C -0.638 173.926 174.700 -0.227 0.000 1.084 193 T CA -0.381 61.450 62.100 -0.447 0.000 1.008 193 T CB 1.603 69.927 68.868 -0.906 0.000 1.170 193 T HN 0.826 nan 8.240 nan 0.000 0.509 194 V N -1.024 118.811 119.914 -0.132 0.000 2.735 194 V HA 0.743 4.862 4.120 -0.002 0.000 0.310 194 V C -1.192 174.963 176.094 0.100 0.000 1.061 194 V CA -0.893 61.399 62.300 -0.013 0.000 0.913 194 V CB 1.740 33.557 31.823 -0.011 0.000 1.005 194 V HN 0.998 nan 8.190 nan 0.000 0.428 195 D N 3.336 123.811 120.400 0.125 0.000 2.359 195 D HA 0.638 5.277 4.640 -0.002 0.000 0.230 195 D C 0.716 177.128 176.300 0.188 0.000 1.118 195 D CA 0.204 54.315 54.000 0.185 0.000 0.844 195 D CB 1.795 42.705 40.800 0.184 0.000 1.059 195 D HN 0.899 nan 8.370 nan 0.000 0.493 196 A N 4.199 127.142 122.820 0.205 0.000 2.251 196 A HA 0.042 4.361 4.320 -0.002 0.000 0.209 196 A C 1.219 178.994 177.584 0.317 0.000 1.187 196 A CA 0.202 52.401 52.037 0.269 0.000 0.823 196 A CB -0.532 18.555 19.000 0.144 0.000 0.846 196 A HN 0.727 nan 8.150 nan 0.000 0.486 197 N N -0.722 118.126 118.700 0.246 0.000 2.708 197 N HA -0.217 4.522 4.740 -0.002 0.000 0.249 197 N C 0.126 175.765 175.510 0.214 0.000 1.097 197 N CA 1.046 54.226 53.050 0.215 0.000 0.710 197 N CB -1.958 36.639 38.487 0.183 0.000 1.032 197 N HN 0.376 nan 8.380 nan 0.000 0.551 198 S N -2.899 112.951 115.700 0.249 0.000 3.549 198 S HA -0.237 4.232 4.470 -0.002 0.000 0.366 198 S C 0.951 175.669 174.600 0.196 0.000 1.012 198 S CA 0.988 59.331 58.200 0.238 0.000 1.141 198 S CB -1.611 61.728 63.200 0.231 0.000 0.910 198 S HN 0.871 nan 8.310 nan 0.000 0.471 199 A N -1.393 121.561 122.820 0.223 0.000 2.390 199 A HA 0.534 4.853 4.320 -0.002 0.000 0.232 199 A C 0.223 177.737 177.584 -0.117 0.000 1.233 199 A CA 0.165 52.220 52.037 0.031 0.000 0.907 199 A CB 0.298 19.265 19.000 -0.056 0.000 0.967 199 A HN 0.507 nan 8.150 nan 0.000 0.512 200 Y N -0.304 120.029 120.300 0.054 0.000 2.631 200 Y HA 0.597 5.145 4.550 -0.002 0.000 0.328 200 Y C 0.931 176.834 175.900 0.006 0.000 1.118 200 Y CA -0.272 57.847 58.100 0.032 0.000 1.206 200 Y CB 1.305 39.784 38.460 0.031 0.000 1.337 200 Y HN 0.119 nan 8.280 nan 0.000 0.515 201 T N -2.782 111.871 114.554 0.165 0.000 2.887 201 T HA 0.388 4.737 4.350 -0.002 0.000 0.292 201 T C 0.419 175.153 174.700 0.057 0.000 1.087 201 T CA -0.860 61.282 62.100 0.069 0.000 1.009 201 T CB 0.849 69.741 68.868 0.039 0.000 1.203 201 T HN 0.592 nan 8.240 nan 0.000 0.518 202 L N 0.706 121.934 121.223 0.008 0.000 2.261 202 L HA 0.009 4.348 4.340 -0.002 0.000 0.216 202 L C 2.992 179.873 176.870 0.018 0.000 1.114 202 L CA 1.419 56.257 54.840 -0.004 0.000 0.777 202 L CB -0.700 41.346 42.059 -0.022 0.000 0.910 202 L HN 0.969 nan 8.230 nan 0.000 0.440 203 A N -0.743 122.094 122.820 0.029 0.000 2.070 203 A HA -0.192 4.127 4.320 -0.002 0.000 0.220 203 A C 1.697 179.314 177.584 0.055 0.000 1.159 203 A CA 1.562 53.619 52.037 0.034 0.000 0.656 203 A CB -0.291 18.727 19.000 0.030 0.000 0.800 203 A HN 0.364 nan 8.150 nan 0.000 0.453 204 D N -0.235 120.220 120.400 0.091 0.000 2.340 204 D HA 0.234 4.873 4.640 -0.002 0.000 0.220 204 D C 1.956 178.314 176.300 0.096 0.000 1.039 204 D CA 0.773 54.859 54.000 0.144 0.000 0.866 204 D CB 0.005 41.001 40.800 0.326 0.000 0.913 204 D HN 0.420 nan 8.370 nan 0.000 0.523 205 A N 1.148 123.997 122.820 0.047 0.000 1.940 205 A HA -0.187 4.132 4.320 -0.002 0.000 0.221 205 A C 2.341 179.934 177.584 0.015 0.000 1.190 205 A CA 2.188 54.233 52.037 0.014 0.000 0.647 205 A CB -1.045 17.957 19.000 0.004 0.000 0.821 205 A HN 0.334 nan 8.150 nan 0.000 0.457 206 G N -1.213 107.605 108.800 0.029 0.000 2.421 206 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.217 206 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.217 206 G C 1.661 176.582 174.900 0.036 0.000 1.143 206 G CA 1.104 46.220 45.100 0.026 0.000 0.784 206 G HN 0.502 nan 8.290 nan 0.000 0.541 207 R N 0.480 121.017 120.500 0.061 0.000 2.092 207 R HA 0.165 4.504 4.340 -0.002 0.000 0.231 207 R C 2.428 178.761 176.300 0.054 0.000 1.119 207 R CA 0.950 57.099 56.100 0.082 0.000 0.970 207 R CB -0.792 29.595 30.300 0.145 0.000 0.864 207 R HN 0.396 nan 8.270 nan 0.000 0.440 208 L N -0.117 121.109 121.223 0.006 0.000 2.217 208 L HA 0.031 4.370 4.340 -0.002 0.000 0.211 208 L C 2.412 179.266 176.870 -0.027 0.000 1.107 208 L CA 1.097 55.896 54.840 -0.068 0.000 0.783 208 L CB -0.369 41.585 42.059 -0.175 0.000 0.919 208 L HN 0.105 nan 8.230 nan 0.000 0.442 209 R N 0.748 121.242 120.500 -0.010 0.000 2.159 209 R HA -0.180 4.159 4.340 -0.002 0.000 0.237 209 R C 2.111 178.409 176.300 -0.003 0.000 1.131 209 R CA 1.395 57.490 56.100 -0.008 0.000 0.982 209 R CB -0.272 30.025 30.300 -0.005 0.000 0.868 209 R HN 0.412 nan 8.270 nan 0.000 0.453 210 Q N -0.207 119.603 119.800 0.018 0.000 2.437 210 Q HA -0.074 4.265 4.340 -0.002 0.000 0.210 210 Q C 1.609 177.663 176.000 0.089 0.000 0.972 210 Q CA 0.973 56.799 55.803 0.038 0.000 0.903 210 Q CB 0.035 28.812 28.738 0.064 0.000 0.967 210 Q HN 0.415 nan 8.270 nan 0.000 0.486 211 L N 0.196 121.472 121.223 0.088 0.000 2.418 211 L HA -0.081 4.258 4.340 -0.002 0.000 0.218 211 L C 1.278 178.206 176.870 0.096 0.000 1.125 211 L CA 0.137 55.078 54.840 0.168 0.000 0.835 211 L CB -0.095 42.005 42.059 0.067 0.000 0.953 211 L HN 0.086 nan 8.230 nan 0.000 0.454 212 D N 0.869 121.266 120.400 -0.005 0.000 2.149 212 D HA -0.246 4.393 4.640 -0.002 0.000 0.198 212 D C 1.946 178.173 176.300 -0.123 0.000 0.990 212 D CA 1.479 55.450 54.000 -0.047 0.000 0.839 212 D CB -0.048 40.721 40.800 -0.050 0.000 0.948 212 D HN 0.535 nan 8.370 nan 0.000 0.460 213 E N -0.249 119.782 120.200 -0.281 0.000 2.472 213 E HA -0.186 4.163 4.350 -0.002 0.000 0.200 213 E C 0.848 177.161 176.600 -0.479 0.000 1.046 213 E CA 0.678 56.820 56.400 -0.429 0.000 0.871 213 E CB -0.319 29.028 29.700 -0.589 0.000 0.806 213 E HN 0.449 nan 8.360 nan 0.000 0.533 214 Y N 0.900 121.180 120.300 -0.034 0.000 2.458 214 Y HA 0.128 4.675 4.550 -0.004 0.000 0.256 214 Y C -0.171 175.704 175.900 -0.041 0.000 1.159 214 Y CA -0.282 57.795 58.100 -0.038 0.000 1.261 214 Y CB 0.596 39.027 38.460 -0.047 0.000 1.119 214 Y HN -0.080 nan 8.280 nan 0.000 0.524 215 D N 0.832 121.258 120.400 0.044 0.000 2.699 215 D HA -0.192 4.447 4.640 -0.002 0.000 0.239 215 D C -0.456 175.842 176.300 -0.003 0.000 1.136 215 D CA 0.613 54.620 54.000 0.012 0.000 0.668 215 D CB -1.413 39.392 40.800 0.007 0.000 1.060 215 D HN 0.343 nan 8.370 nan 0.000 0.429 216 L N -0.031 121.186 121.223 -0.011 0.000 2.461 216 L HA 0.062 4.401 4.340 -0.002 0.000 0.272 216 L C 2.195 178.998 176.870 -0.111 0.000 1.197 216 L CA 0.025 54.817 54.840 -0.081 0.000 0.836 216 L CB 0.301 42.310 42.059 -0.083 0.000 1.105 216 L HN -0.044 nan 8.230 nan 0.000 0.477 217 T N 0.322 114.742 114.554 -0.223 0.000 2.821 217 T HA -0.053 4.296 4.350 -0.002 0.000 0.267 217 T C -0.348 174.295 174.700 -0.096 0.000 1.046 217 T CA 1.336 63.321 62.100 -0.192 0.000 1.139 217 T CB -0.170 68.535 68.868 -0.272 0.000 0.871 217 T HN 0.607 nan 8.240 nan 0.000 0.454 218 Y N -1.691 118.596 120.300 -0.022 0.000 2.677 218 Y HA 0.642 5.191 4.550 -0.001 0.000 0.334 218 Y C -1.804 174.102 175.900 0.010 0.000 1.196 218 Y CA -2.489 55.616 58.100 0.008 0.000 1.059 218 Y CB 0.472 38.959 38.460 0.046 0.000 1.315 218 Y HN -0.139 nan 8.280 nan 0.000 0.455 219 I N 2.137 122.861 120.570 0.257 0.000 2.336 219 I HA 0.309 4.478 4.170 -0.002 0.000 0.292 219 I C -0.302 175.971 176.117 0.260 0.000 0.991 219 I CA -0.601 60.813 61.300 0.189 0.000 1.227 219 I CB 1.677 39.712 38.000 0.059 0.000 1.366 219 I HN 0.671 nan 8.210 nan 0.000 0.466 220 E N 5.829 126.199 120.200 0.284 0.000 2.167 220 E HA 0.111 4.460 4.350 -0.002 0.000 0.284 220 E C -0.284 176.429 176.600 0.189 0.000 1.016 220 E CA -0.673 55.879 56.400 0.253 0.000 0.817 220 E CB 0.730 30.637 29.700 0.346 0.000 1.080 220 E HN 0.480 nan 8.360 nan 0.000 0.397 221 Q N 3.999 123.873 119.800 0.123 0.000 2.426 221 Q HA -0.169 4.170 4.340 -0.002 0.000 0.359 221 Q C -1.934 174.250 176.000 0.306 0.000 1.381 221 Q CA 0.626 56.519 55.803 0.150 0.000 1.060 221 Q CB -0.184 28.622 28.738 0.114 0.000 1.253 221 Q HN 0.496 nan 8.270 nan 0.000 0.363 222 P HA -0.126 nan 4.420 nan 0.000 0.221 222 P C 0.233 177.675 177.300 0.237 0.000 1.150 222 P CA 1.131 64.372 63.100 0.236 0.000 0.800 222 P CB 0.291 32.015 31.700 0.039 0.000 0.787 223 L N -1.309 120.005 121.223 0.151 0.000 2.585 223 L HA 0.618 4.957 4.340 -0.002 0.000 0.260 223 L C 0.820 177.778 176.870 0.146 0.000 1.085 223 L CA -1.669 53.139 54.840 -0.053 0.000 0.913 223 L CB -0.259 41.473 42.059 -0.545 0.000 1.638 223 L HN -0.252 nan 8.230 nan 0.000 0.531 224 A N 0.395 123.251 122.820 0.061 0.000 2.555 224 A HA -0.068 4.251 4.320 -0.002 0.000 0.233 224 A C 0.875 178.514 177.584 0.092 0.000 1.060 224 A CA 0.032 52.115 52.037 0.076 0.000 0.759 224 A CB -0.191 18.776 19.000 -0.054 0.000 0.995 224 A HN 0.898 nan 8.150 nan 0.000 0.506 225 W N 2.215 123.544 121.300 0.048 0.000 2.392 225 W HA -0.142 4.517 4.660 -0.002 0.000 0.279 225 W C 0.028 176.530 176.519 -0.028 0.000 1.225 225 W CA 1.377 58.719 57.345 -0.006 0.000 1.233 225 W CB -0.580 28.835 29.460 -0.075 0.000 1.122 225 W HN 0.759 nan 8.180 nan 0.000 0.561 226 D N -0.205 119.578 120.400 -1.029 0.000 2.363 226 D HA -0.011 4.628 4.640 -0.002 0.000 0.214 226 D C 0.032 176.065 176.300 -0.444 0.000 1.093 226 D CA -0.099 53.300 54.000 -1.002 0.000 0.837 226 D CB -0.652 39.187 40.800 -1.601 0.000 0.948 226 D HN 0.072 nan 8.370 nan 0.000 0.507 227 D N 0.633 120.897 120.400 -0.227 0.000 2.175 227 D HA 0.172 4.811 4.640 -0.002 0.000 0.248 227 D C 0.629 176.956 176.300 0.045 0.000 1.047 227 D CA -0.499 53.458 54.000 -0.072 0.000 0.883 227 D CB 1.954 42.739 40.800 -0.025 0.000 1.180 227 D HN 0.022 nan 8.370 nan 0.000 0.438 228 L N 2.681 123.906 121.223 0.003 0.000 2.624 228 L HA 0.045 4.384 4.340 -0.002 0.000 0.222 228 L C 2.338 179.233 176.870 0.042 0.000 1.046 228 L CA -0.108 54.740 54.840 0.013 0.000 0.872 228 L CB 0.034 42.063 42.059 -0.051 0.000 1.190 228 L HN 0.285 nan 8.230 nan 0.000 0.487 229 V N 0.525 120.441 119.914 0.004 0.000 2.295 229 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 229 V C 1.976 178.066 176.094 -0.006 0.000 1.049 229 V CA 2.042 64.338 62.300 -0.008 0.000 1.024 229 V CB -0.333 31.474 31.823 -0.026 0.000 0.648 229 V HN 0.409 nan 8.190 nan 0.000 0.447 230 D N -1.613 118.771 120.400 -0.026 0.000 2.183 230 D HA -0.116 4.523 4.640 -0.002 0.000 0.203 230 D C 2.084 178.329 176.300 -0.092 0.000 0.969 230 D CA 0.939 54.895 54.000 -0.073 0.000 0.842 230 D CB -0.321 40.407 40.800 -0.121 0.000 0.957 230 D HN 0.507 nan 8.370 nan 0.000 0.484 231 H N 0.878 119.930 119.070 -0.031 0.000 2.319 231 H HA -0.055 4.499 4.556 -0.002 0.000 0.299 231 H C 2.094 177.404 175.328 -0.029 0.000 1.092 231 H CA 1.435 57.467 56.048 -0.027 0.000 1.302 231 H CB -0.102 29.640 29.762 -0.034 0.000 1.373 231 H HN 0.096 nan 8.280 nan 0.000 0.497 232 A N 1.062 123.935 122.820 0.088 0.000 1.948 232 A HA -0.242 4.077 4.320 -0.002 0.000 0.220 232 A C 2.388 179.980 177.584 0.013 0.000 1.177 232 A CA 2.076 54.132 52.037 0.031 0.000 0.636 232 A CB -0.337 18.668 19.000 0.009 0.000 0.815 232 A HN 0.394 nan 8.150 nan 0.000 0.449 233 E N -0.231 119.969 120.200 0.001 0.000 2.047 233 E HA -0.141 4.208 4.350 -0.002 0.000 0.191 233 E C 1.804 178.398 176.600 -0.011 0.000 0.987 233 E CA 1.286 57.680 56.400 -0.010 0.000 0.799 233 E CB -0.481 29.206 29.700 -0.021 0.000 0.752 233 E HN 0.412 nan 8.360 nan 0.000 0.449 234 L N 0.432 121.642 121.223 -0.021 0.000 2.079 234 L HA -0.028 4.310 4.340 -0.002 0.000 0.210 234 L C 2.176 179.047 176.870 0.002 0.000 1.081 234 L CA 2.243 57.071 54.840 -0.020 0.000 0.752 234 L CB -0.931 41.098 42.059 -0.049 0.000 0.896 234 L HN 0.194 nan 8.230 nan 0.000 0.433 235 A N -0.378 122.454 122.820 0.020 0.000 2.019 235 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 235 A C 2.340 179.931 177.584 0.011 0.000 1.164 235 A CA 1.660 53.710 52.037 0.022 0.000 0.644 235 A CB -0.557 18.459 19.000 0.026 0.000 0.805 235 A HN 0.568 nan 8.150 nan 0.000 0.449 236 R N -1.016 119.488 120.500 0.006 0.000 2.275 236 R HA 0.082 4.420 4.340 -0.002 0.000 0.199 236 R C 1.697 177.997 176.300 0.000 0.000 0.989 236 R CA 0.657 56.759 56.100 0.003 0.000 1.016 236 R CB -0.031 30.270 30.300 0.002 0.000 0.918 236 R HN 0.464 nan 8.270 nan 0.000 0.473 237 R N 0.531 121.030 120.500 -0.001 0.000 2.282 237 R HA 0.228 4.567 4.340 -0.002 0.000 0.195 237 R C 0.897 177.194 176.300 -0.005 0.000 0.909 237 R CA 0.303 56.400 56.100 -0.004 0.000 1.039 237 R CB 0.431 30.728 30.300 -0.005 0.000 1.015 237 R HN 0.184 nan 8.270 nan 0.000 0.513 238 I N -3.134 117.433 120.570 -0.004 0.000 2.785 238 I HA 0.376 4.544 4.170 -0.002 0.000 0.302 238 I C 0.410 176.526 176.117 -0.001 0.000 1.069 238 I CA -1.085 60.211 61.300 -0.006 0.000 1.045 238 I CB 2.447 40.440 38.000 -0.011 0.000 1.236 238 I HN -0.218 nan 8.210 nan 0.000 0.429 239 R N 1.121 121.618 120.500 -0.005 0.000 2.189 239 R HA 0.143 4.482 4.340 -0.002 0.000 0.203 239 R C 0.204 176.508 176.300 0.007 0.000 1.012 239 R CA 0.355 56.455 56.100 -0.001 0.000 1.015 239 R CB -0.103 30.191 30.300 -0.010 0.000 0.938 239 R HN 0.687 nan 8.270 nan 0.000 0.472 240 T N 4.244 118.803 114.554 0.007 0.000 2.871 240 T HA 0.074 4.423 4.350 -0.002 0.000 0.296 240 T C -2.336 172.389 174.700 0.042 0.000 0.998 240 T CA -0.829 61.283 62.100 0.021 0.000 1.162 240 T CB 0.829 69.707 68.868 0.016 0.000 0.947 240 T HN -0.027 nan 8.240 nan 0.000 0.536 241 P HA 0.152 nan 4.420 nan 0.000 0.266 241 P C -0.325 177.043 177.300 0.114 0.000 1.195 241 P CA -0.208 62.942 63.100 0.082 0.000 0.768 241 P CB 0.423 32.186 31.700 0.105 0.000 0.838 242 L N 2.312 123.583 121.223 0.080 0.000 2.334 242 L HA 0.434 4.773 4.340 -0.002 0.000 0.277 242 L C 0.402 177.290 176.870 0.031 0.000 1.075 242 L CA -0.577 54.311 54.840 0.080 0.000 0.804 242 L CB 1.258 43.360 42.059 0.072 0.000 1.174 242 L HN 0.443 nan 8.230 nan 0.000 0.438 243 C N 4.805 124.113 119.300 0.012 0.000 2.345 243 C HA 0.584 5.043 4.460 -0.002 0.000 0.323 243 C C -0.305 174.603 174.990 -0.137 0.000 1.276 243 C CA -0.735 58.211 59.018 -0.120 0.000 1.543 243 C CB 0.528 28.072 27.740 -0.327 0.000 2.211 243 C HN 0.554 nan 8.230 nan 0.000 0.493 244 L N 5.607 126.711 121.223 -0.198 0.000 2.307 244 L HA 0.456 4.795 4.340 -0.002 0.000 0.282 244 L C 0.589 177.350 176.870 -0.181 0.000 1.051 244 L CA 0.696 55.403 54.840 -0.223 0.000 0.804 244 L CB 1.284 43.196 42.059 -0.247 0.000 1.197 244 L HN 0.884 nan 8.230 nan 0.000 0.431 245 D N 1.054 121.387 120.400 -0.112 0.000 3.013 245 D HA -0.007 4.632 4.640 -0.002 0.000 0.235 245 D C 1.219 177.517 176.300 -0.004 0.000 1.540 245 D CA 0.420 54.389 54.000 -0.052 0.000 1.303 245 D CB 0.462 41.293 40.800 0.053 0.000 0.980 245 D HN 0.453 nan 8.370 nan 0.000 0.250 246 E N 0.121 120.343 120.200 0.038 0.000 2.268 246 E HA -0.039 4.309 4.350 -0.002 0.000 0.195 246 E C 1.794 178.435 176.600 0.068 0.000 0.995 246 E CA 1.191 57.608 56.400 0.028 0.000 0.836 246 E CB -0.081 29.628 29.700 0.015 0.000 0.763 246 E HN 0.290 nan 8.360 nan 0.000 0.491 247 S N -0.535 115.160 115.700 -0.007 0.000 2.603 247 S HA 0.070 4.539 4.470 -0.002 0.000 0.220 247 S C 0.651 175.204 174.600 -0.078 0.000 0.967 247 S CA -0.265 57.893 58.200 -0.071 0.000 0.920 247 S CB 0.286 63.408 63.200 -0.130 0.000 0.773 247 S HN -0.050 nan 8.310 nan 0.000 0.529 248 V N 2.066 121.940 119.914 -0.066 0.000 2.257 248 V HA 0.662 4.781 4.120 -0.002 0.000 0.269 248 V C 0.660 176.731 176.094 -0.038 0.000 1.040 248 V CA -0.055 62.201 62.300 -0.073 0.000 0.813 248 V CB 0.295 32.051 31.823 -0.112 0.000 1.065 248 V HN 0.473 nan 8.190 nan 0.000 0.457 249 A N 3.533 126.342 122.820 -0.017 0.000 2.430 249 A HA 0.658 4.977 4.320 -0.002 0.000 0.243 249 A C 0.716 178.301 177.584 0.002 0.000 1.254 249 A CA 0.524 52.565 52.037 0.007 0.000 0.914 249 A CB 0.176 19.197 19.000 0.034 0.000 0.998 249 A HN 0.899 nan 8.150 nan 0.000 0.515 250 S N -3.525 112.168 115.700 -0.010 0.000 2.615 250 S HA 0.596 5.064 4.470 -0.002 0.000 0.268 250 S C 0.794 175.389 174.600 -0.008 0.000 1.146 250 S CA -0.006 58.193 58.200 -0.002 0.000 0.818 250 S CB 0.798 64.000 63.200 0.003 0.000 1.111 250 S HN 1.037 nan 8.310 nan 0.000 0.465 251 A N 1.820 124.644 122.820 0.008 0.000 1.908 251 A HA -0.038 4.280 4.320 -0.002 0.000 0.218 251 A C 2.364 179.955 177.584 0.012 0.000 1.181 251 A CA 2.622 54.668 52.037 0.016 0.000 0.627 251 A CB -1.661 17.361 19.000 0.036 0.000 0.818 251 A HN 1.742 nan 8.150 nan 0.000 0.445 252 S N -0.067 115.639 115.700 0.011 0.000 2.402 252 S HA -0.171 4.298 4.470 -0.002 0.000 0.229 252 S C 1.387 175.978 174.600 -0.016 0.000 1.021 252 S CA 1.436 59.641 58.200 0.008 0.000 0.974 252 S CB -0.505 62.701 63.200 0.009 0.000 0.800 252 S HN 0.486 nan 8.310 nan 0.000 0.484 253 D N 2.495 122.877 120.400 -0.029 0.000 2.117 253 D HA 0.068 4.707 4.640 -0.002 0.000 0.197 253 D C 2.290 178.538 176.300 -0.085 0.000 0.987 253 D CA 1.476 55.444 54.000 -0.055 0.000 0.829 253 D CB -0.711 40.057 40.800 -0.053 0.000 0.961 253 D HN 0.546 nan 8.370 nan 0.000 0.460 254 A N 1.017 123.789 122.820 -0.081 0.000 1.877 254 A HA -0.190 4.128 4.320 -0.002 0.000 0.216 254 A C 2.186 179.669 177.584 -0.168 0.000 1.186 254 A CA 1.464 53.428 52.037 -0.122 0.000 0.620 254 A CB -0.434 18.515 19.000 -0.085 0.000 0.822 254 A HN 0.043 nan 8.150 nan 0.000 0.443 255 R N 0.429 120.884 120.500 -0.075 0.000 2.091 255 R HA -0.157 4.182 4.340 -0.002 0.000 0.238 255 R C 1.929 178.160 176.300 -0.115 0.000 1.136 255 R CA 2.184 58.265 56.100 -0.031 0.000 0.959 255 R CB -0.455 29.913 30.300 0.113 0.000 0.856 255 R HN 0.613 nan 8.270 nan 0.000 0.437 256 K N -0.093 120.259 120.400 -0.081 0.000 2.025 256 K HA -0.049 4.270 4.320 -0.002 0.000 0.207 256 K C 2.228 178.748 176.600 -0.133 0.000 1.049 256 K CA 1.390 57.630 56.287 -0.078 0.000 0.933 256 K CB -0.252 32.215 32.500 -0.054 0.000 0.714 256 K HN 0.210 nan 8.250 nan 0.000 0.438 257 A N 1.658 124.379 122.820 -0.166 0.000 1.873 257 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 257 A C 2.174 179.604 177.584 -0.255 0.000 1.193 257 A CA 1.594 53.519 52.037 -0.186 0.000 0.629 257 A CB -0.837 18.046 19.000 -0.196 0.000 0.826 257 A HN 0.178 nan 8.150 nan 0.000 0.447 258 L N -1.206 119.753 121.223 -0.440 0.000 2.109 258 L HA -0.109 4.230 4.340 -0.002 0.000 0.207 258 L C 3.025 179.572 176.870 -0.539 0.000 1.086 258 L CA 0.979 55.414 54.840 -0.674 0.000 0.760 258 L CB -0.475 40.766 42.059 -1.364 0.000 0.910 258 L HN 0.433 nan 8.230 nan 0.000 0.437 259 A N -0.163 122.416 122.820 -0.401 0.000 1.970 259 A HA -0.041 4.278 4.320 -0.002 0.000 0.216 259 A C 2.181 179.755 177.584 -0.018 0.000 1.170 259 A CA 0.926 52.947 52.037 -0.028 0.000 0.645 259 A CB -0.501 18.577 19.000 0.130 0.000 0.816 259 A HN 0.346 nan 8.150 nan 0.000 0.447 260 L N -1.023 120.163 121.223 -0.061 0.000 2.376 260 L HA 0.071 4.410 4.340 -0.002 0.000 0.219 260 L C 1.714 178.564 176.870 -0.034 0.000 1.133 260 L CA 0.652 55.471 54.840 -0.035 0.000 0.816 260 L CB -0.330 41.706 42.059 -0.040 0.000 0.933 260 L HN 0.590 nan 8.230 nan 0.000 0.449 261 G N -0.590 108.173 108.800 -0.061 0.000 2.160 261 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.244 261 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.244 261 G C 1.007 175.885 174.900 -0.038 0.000 1.022 261 G CA 0.436 45.508 45.100 -0.046 0.000 0.741 261 G HN 0.438 nan 8.290 nan 0.000 0.508 262 A N -0.969 121.817 122.820 -0.057 0.000 1.972 262 A HA 0.519 4.838 4.320 -0.002 0.000 0.219 262 A C 1.744 179.302 177.584 -0.044 0.000 1.169 262 A CA 2.082 54.104 52.037 -0.025 0.000 0.635 262 A CB 0.043 19.010 19.000 -0.056 0.000 0.810 262 A HN 2.233 nan 8.150 nan 0.000 0.446 263 G N -4.387 104.360 108.800 -0.089 0.000 2.559 263 G HA2 0.459 4.418 3.960 -0.002 0.000 0.291 263 G HA3 0.459 4.418 3.960 -0.002 0.000 0.291 263 G C 0.193 175.039 174.900 -0.090 0.000 1.424 263 G CA 0.238 45.289 45.100 -0.081 0.000 0.786 263 G HN 0.678 nan 8.290 nan 0.000 0.485 264 G N -1.452 107.316 108.800 -0.055 0.000 3.228 264 G HA2 0.465 4.424 3.960 -0.002 0.000 0.245 264 G HA3 0.465 4.424 3.960 -0.002 0.000 0.245 264 G C -0.307 174.567 174.900 -0.044 0.000 1.051 264 G CA 0.355 45.431 45.100 -0.041 0.000 0.809 264 G HN 0.935 nan 8.290 nan 0.000 0.531 265 V N 1.255 121.126 119.914 -0.072 0.000 2.760 265 V HA 0.505 4.624 4.120 -0.002 0.000 0.309 265 V C -0.949 175.042 176.094 -0.172 0.000 1.077 265 V CA -0.801 61.447 62.300 -0.087 0.000 0.910 265 V CB 2.265 34.042 31.823 -0.077 0.000 1.008 265 V HN 0.107 nan 8.190 nan 0.000 0.424 266 I N 2.975 123.418 120.570 -0.211 0.000 2.406 266 I HA 0.387 4.556 4.170 -0.002 0.000 0.290 266 I C 0.171 175.952 176.117 -0.560 0.000 0.999 266 I CA -0.352 60.760 61.300 -0.313 0.000 1.124 266 I CB 1.610 39.451 38.000 -0.266 0.000 1.289 266 I HN 0.723 nan 8.210 nan 0.000 0.441 267 N N 6.317 124.598 118.700 -0.699 0.000 2.399 267 N HA 0.182 4.921 4.740 -0.002 0.000 0.259 267 N C -0.964 174.159 175.510 -0.646 0.000 1.160 267 N CA -0.600 51.751 53.050 -1.164 0.000 0.946 267 N CB 0.606 38.540 38.487 -0.922 0.000 1.156 267 N HN 0.373 nan 8.380 nan 0.000 0.489 268 L N 4.497 125.388 121.223 -0.554 0.000 2.259 268 L HA 0.341 4.680 4.340 -0.002 0.000 0.288 268 L C -0.752 176.040 176.870 -0.130 0.000 1.051 268 L CA -0.265 54.434 54.840 -0.234 0.000 0.824 268 L CB 0.455 42.440 42.059 -0.123 0.000 1.206 268 L HN 0.412 nan 8.230 nan 0.000 0.429 269 K N 4.441 124.778 120.400 -0.106 0.000 2.293 269 K HA 0.202 4.521 4.320 -0.002 0.000 0.267 269 K C 0.809 177.381 176.600 -0.047 0.000 1.010 269 K CA -0.427 55.820 56.287 -0.066 0.000 0.875 269 K CB 2.257 34.721 32.500 -0.060 0.000 1.106 269 K HN 0.518 nan 8.250 nan 0.000 0.450 270 V N 3.349 123.227 119.914 -0.060 0.000 2.324 270 V HA -0.321 3.798 4.120 -0.002 0.000 0.250 270 V C 1.894 177.912 176.094 -0.127 0.000 1.060 270 V CA 2.797 65.027 62.300 -0.116 0.000 1.042 270 V CB -0.214 31.471 31.823 -0.229 0.000 0.650 270 V HN 0.944 nan 8.190 nan 0.000 0.450 271 A N -0.341 122.414 122.820 -0.109 0.000 1.929 271 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 271 A C 2.403 179.974 177.584 -0.022 0.000 1.176 271 A CA 1.568 53.557 52.037 -0.080 0.000 0.628 271 A CB -0.665 18.292 19.000 -0.073 0.000 0.816 271 A HN 0.574 nan 8.150 nan 0.000 0.444 272 R N 0.169 120.674 120.500 0.008 0.000 2.105 272 R HA -0.123 4.216 4.340 -0.002 0.000 0.239 272 R C 1.703 178.021 176.300 0.030 0.000 1.135 272 R CA 1.984 58.118 56.100 0.057 0.000 0.967 272 R CB -0.274 30.089 30.300 0.105 0.000 0.861 272 R HN 0.532 nan 8.270 nan 0.000 0.442 273 V N -3.568 116.348 119.914 0.002 0.000 3.649 273 V HA 0.402 4.521 4.120 -0.002 0.000 0.275 273 V C 0.830 176.923 176.094 -0.002 0.000 1.281 273 V CA 0.662 62.962 62.300 0.001 0.000 1.143 273 V CB 0.443 32.261 31.823 -0.008 0.000 0.892 273 V HN 0.435 nan 8.190 nan 0.000 0.441 274 G N -1.536 107.256 108.800 -0.013 0.000 2.148 274 G HA2 0.328 4.287 3.960 -0.002 0.000 0.203 274 G HA3 0.328 4.287 3.960 -0.002 0.000 0.203 274 G C 0.989 175.870 174.900 -0.031 0.000 0.993 274 G CA -0.017 45.073 45.100 -0.016 0.000 0.661 274 G HN 2.279 nan 8.290 nan 0.000 0.518 275 G N -1.529 107.224 108.800 -0.078 0.000 2.422 275 G HA2 0.118 4.077 3.960 -0.002 0.000 0.607 275 G HA3 0.118 4.077 3.960 -0.002 0.000 0.607 275 G C 0.280 175.104 174.900 -0.126 0.000 1.270 275 G CA 0.450 45.466 45.100 -0.140 0.000 0.992 275 G HN 0.616 nan 8.290 nan 0.000 0.499 276 H N -0.078 118.963 119.070 -0.049 0.000 2.357 276 H HA 0.053 4.607 4.556 -0.002 0.000 0.301 276 H C 3.079 178.299 175.328 -0.181 0.000 1.082 276 H CA 2.483 58.379 56.048 -0.254 0.000 1.342 276 H CB -0.517 28.795 29.762 -0.750 0.000 1.389 276 H HN 0.756 nan 8.280 nan 0.000 0.511 277 A N 1.126 124.043 122.820 0.162 0.000 1.858 277 A HA -0.204 4.115 4.320 -0.002 0.000 0.216 277 A C 2.394 180.047 177.584 0.116 0.000 1.190 277 A CA 1.937 54.101 52.037 0.212 0.000 0.617 277 A CB -0.411 18.820 19.000 0.385 0.000 0.827 277 A HN 0.349 nan 8.150 nan 0.000 0.443 278 E N 0.299 120.556 120.200 0.095 0.000 2.110 278 E HA -0.114 4.235 4.350 -0.002 0.000 0.193 278 E C 2.157 178.786 176.600 0.048 0.000 0.988 278 E CA 1.604 58.040 56.400 0.059 0.000 0.804 278 E CB -0.297 29.426 29.700 0.038 0.000 0.745 278 E HN 0.502 nan 8.360 nan 0.000 0.458 279 S N -0.178 115.544 115.700 0.036 0.000 2.382 279 S HA -0.143 4.326 4.470 -0.002 0.000 0.228 279 S C 1.890 176.543 174.600 0.087 0.000 1.027 279 S CA 1.180 59.411 58.200 0.053 0.000 0.991 279 S CB -0.274 62.954 63.200 0.048 0.000 0.823 279 S HN 0.267 nan 8.310 nan 0.000 0.469 280 R N 1.083 121.615 120.500 0.052 0.000 2.092 280 R HA 0.031 4.370 4.340 -0.002 0.000 0.231 280 R C 2.365 178.731 176.300 0.110 0.000 1.119 280 R CA 1.071 57.191 56.100 0.034 0.000 0.970 280 R CB -0.044 30.243 30.300 -0.022 0.000 0.864 280 R HN 0.262 nan 8.270 nan 0.000 0.440 281 R N -0.461 120.094 120.500 0.092 0.000 2.096 281 R HA -0.071 4.268 4.340 -0.002 0.000 0.235 281 R C 2.214 178.566 176.300 0.088 0.000 1.127 281 R CA 1.364 57.519 56.100 0.092 0.000 0.968 281 R CB -0.177 30.167 30.300 0.073 0.000 0.861 281 R HN 0.089 nan 8.270 nan 0.000 0.440 282 V N 0.073 120.030 119.914 0.072 0.000 2.307 282 V HA -0.275 3.844 4.120 -0.002 0.000 0.245 282 V C 2.205 178.324 176.094 0.041 0.000 1.045 282 V CA 2.222 64.541 62.300 0.033 0.000 1.024 282 V CB -0.631 31.190 31.823 -0.004 0.000 0.651 282 V HN 0.446 nan 8.190 nan 0.000 0.449 283 H N 0.277 119.315 119.070 -0.053 0.000 2.352 283 H HA -0.204 4.351 4.556 -0.002 0.000 0.299 283 H C 1.960 177.267 175.328 -0.034 0.000 1.097 283 H CA 2.214 58.204 56.048 -0.097 0.000 1.311 283 H CB -0.009 29.727 29.762 -0.043 0.000 1.377 283 H HN 0.411 nan 8.280 nan 0.000 0.504 284 D N -0.103 120.414 120.400 0.194 0.000 2.123 284 D HA -0.103 4.536 4.640 -0.002 0.000 0.200 284 D C 2.473 178.807 176.300 0.057 0.000 0.976 284 D CA 1.081 55.156 54.000 0.124 0.000 0.831 284 D CB -0.288 40.611 40.800 0.166 0.000 0.974 284 D HN 0.307 nan 8.370 nan 0.000 0.469 285 V N 1.620 121.582 119.914 0.081 0.000 2.295 285 V HA -0.250 3.869 4.120 -0.002 0.000 0.246 285 V C 2.561 178.776 176.094 0.202 0.000 1.049 285 V CA 1.883 64.264 62.300 0.135 0.000 1.024 285 V CB -0.838 31.063 31.823 0.130 0.000 0.648 285 V HN 0.181 nan 8.190 nan 0.000 0.447 286 A N -0.902 121.959 122.820 0.068 0.000 1.908 286 A HA -0.348 3.971 4.320 -0.002 0.000 0.218 286 A C 2.249 179.856 177.584 0.039 0.000 1.181 286 A CA 2.348 54.398 52.037 0.022 0.000 0.627 286 A CB -0.616 18.311 19.000 -0.121 0.000 0.818 286 A HN 0.616 nan 8.150 nan 0.000 0.445 287 Q N 0.141 119.902 119.800 -0.066 0.000 2.124 287 Q HA -0.169 4.170 4.340 -0.002 0.000 0.202 287 Q C 2.159 178.152 176.000 -0.011 0.000 0.977 287 Q CA 2.035 57.786 55.803 -0.086 0.000 0.850 287 Q CB -0.201 28.436 28.738 -0.168 0.000 0.901 287 Q HN 0.799 nan 8.270 nan 0.000 0.429 288 S N -1.128 114.578 115.700 0.009 0.000 2.507 288 S HA -0.067 4.402 4.470 -0.002 0.000 0.235 288 S C 1.163 175.681 174.600 -0.137 0.000 0.988 288 S CA 0.486 58.647 58.200 -0.065 0.000 0.944 288 S CB -0.201 62.938 63.200 -0.101 0.000 0.762 288 S HN 0.413 nan 8.310 nan 0.000 0.526 289 F N 1.543 121.466 119.950 -0.045 0.000 2.695 289 F HA 0.407 4.932 4.527 -0.002 0.000 0.303 289 F C 1.784 177.562 175.800 -0.037 0.000 1.091 289 F CA 0.115 58.093 58.000 -0.037 0.000 1.300 289 F CB 0.251 39.226 39.000 -0.042 0.000 1.071 289 F HN 0.360 nan 8.300 nan 0.000 0.578 290 G N 1.351 110.214 108.800 0.106 0.000 2.221 290 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.265 290 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.265 290 G C -0.007 174.922 174.900 0.050 0.000 1.041 290 G CA 0.106 45.238 45.100 0.054 0.000 0.807 290 G HN 0.633 nan 8.290 nan 0.000 0.502 291 A N 0.518 123.364 122.820 0.044 0.000 2.304 291 A HA 0.899 5.218 4.320 -0.002 0.000 0.323 291 A C -1.719 175.833 177.584 -0.052 0.000 1.195 291 A CA -1.536 50.500 52.037 -0.002 0.000 0.826 291 A CB 1.928 20.909 19.000 -0.031 0.000 1.184 291 A HN 0.196 nan 8.150 nan 0.000 0.496 292 P HA 0.414 nan 4.420 nan 0.000 0.276 292 P C -0.254 176.982 177.300 -0.107 0.000 1.244 292 P CA -0.151 62.916 63.100 -0.056 0.000 0.801 292 P CB 1.345 33.064 31.700 0.032 0.000 1.006 293 V N -1.038 118.744 119.914 -0.220 0.000 2.881 293 V HA 0.822 4.941 4.120 -0.002 0.000 0.316 293 V C -0.647 175.377 176.094 -0.116 0.000 1.070 293 V CA -0.832 61.272 62.300 -0.327 0.000 0.976 293 V CB 2.109 33.545 31.823 -0.645 0.000 1.038 293 V HN 0.779 nan 8.190 nan 0.000 0.446 294 W N 0.274 121.480 121.300 -0.156 0.000 3.031 294 W HA 0.651 5.311 4.660 -0.001 0.000 0.337 294 W C -1.149 175.519 176.519 0.249 0.000 1.187 294 W CA -1.496 55.919 57.345 0.116 0.000 1.166 294 W CB 1.163 30.692 29.460 0.115 0.000 1.437 294 W HN 0.857 nan 8.180 nan 0.000 0.551 295 C N 3.108 122.781 119.300 0.623 0.000 2.349 295 C HA 0.625 5.084 4.460 -0.002 0.000 0.348 295 C C 1.185 176.308 174.990 0.223 0.000 1.223 295 C CA 0.520 59.751 59.018 0.356 0.000 1.746 295 C CB -1.098 26.796 27.740 0.257 0.000 2.360 295 C HN 0.776 nan 8.230 nan 0.000 0.533 296 G N 4.217 112.952 108.800 -0.108 0.000 2.572 296 G HA2 0.572 4.531 3.960 -0.002 0.000 0.261 296 G HA3 0.572 4.531 3.960 -0.002 0.000 0.261 296 G C 0.054 174.962 174.900 0.015 0.000 1.197 296 G CA 0.144 45.187 45.100 -0.095 0.000 0.870 296 G HN 1.193 nan 8.290 nan 0.000 0.548 297 G N -0.690 108.124 108.800 0.024 0.000 2.533 297 G HA2 0.518 4.477 3.960 -0.002 0.000 0.304 297 G HA3 0.518 4.477 3.960 -0.002 0.000 0.304 297 G C -0.254 174.577 174.900 -0.115 0.000 1.263 297 G CA -0.677 44.403 45.100 -0.033 0.000 0.964 297 G HN 0.416 nan 8.290 nan 0.000 0.479 298 M N 2.317 121.829 119.600 -0.147 0.000 3.404 298 M HA 0.279 4.758 4.480 -0.002 0.000 0.398 298 M C 0.361 176.570 176.300 -0.151 0.000 1.599 298 M CA -0.233 54.957 55.300 -0.183 0.000 0.696 298 M CB 0.195 32.674 32.600 -0.201 0.000 1.427 298 M HN 0.590 nan 8.290 nan 0.000 0.502 299 L N 1.261 122.342 121.223 -0.236 0.000 3.739 299 L HA -0.264 4.075 4.340 -0.002 0.000 0.442 299 L C -0.204 176.658 176.870 -0.013 0.000 1.241 299 L CA 0.570 55.232 54.840 -0.297 0.000 0.819 299 L CB -0.917 41.036 42.059 -0.177 0.000 1.679 299 L HN 0.453 nan 8.230 nan 0.000 0.889 300 E N -0.137 120.057 120.200 -0.011 0.000 2.383 300 E HA 0.317 4.666 4.350 -0.002 0.000 0.264 300 E C 0.701 177.516 176.600 0.358 0.000 1.050 300 E CA 0.517 57.000 56.400 0.139 0.000 0.896 300 E CB 0.789 30.525 29.700 0.061 0.000 0.982 300 E HN 0.392 nan 8.360 nan 0.000 0.424 301 S N 0.925 116.733 115.700 0.179 0.000 2.634 301 S HA 0.174 4.643 4.470 -0.002 0.000 0.254 301 S C 1.410 176.038 174.600 0.047 0.000 1.299 301 S CA -0.210 57.940 58.200 -0.085 0.000 0.974 301 S CB 0.774 63.783 63.200 -0.318 0.000 1.001 301 S HN 0.589 nan 8.310 nan 0.000 0.584 302 G N -0.232 108.564 108.800 -0.007 0.000 2.484 302 G HA2 -0.005 3.954 3.960 -0.002 0.000 0.218 302 G HA3 -0.005 3.954 3.960 -0.002 0.000 0.218 302 G C 1.245 176.185 174.900 0.066 0.000 1.130 302 G CA 0.390 45.526 45.100 0.061 0.000 0.784 302 G HN 0.560 nan 8.290 nan 0.000 0.543 303 I N 1.946 122.548 120.570 0.053 0.000 2.090 303 I HA -0.105 4.064 4.170 -0.002 0.000 0.236 303 I C 3.046 179.296 176.117 0.221 0.000 1.064 303 I CA 1.643 63.009 61.300 0.109 0.000 1.324 303 I CB -1.512 36.543 38.000 0.090 0.000 1.044 303 I HN 0.221 nan 8.210 nan 0.000 0.399 304 G N 0.297 109.195 108.800 0.163 0.000 2.446 304 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.217 304 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.217 304 G C 1.901 176.894 174.900 0.155 0.000 1.168 304 G CA 0.990 46.181 45.100 0.152 0.000 0.771 304 G HN 0.305 nan 8.290 nan 0.000 0.551 305 R N 0.519 121.092 120.500 0.121 0.000 2.103 305 R HA -0.083 4.256 4.340 -0.002 0.000 0.242 305 R C 2.784 179.152 176.300 0.113 0.000 1.142 305 R CA 1.750 57.915 56.100 0.108 0.000 0.960 305 R CB -0.352 30.023 30.300 0.126 0.000 0.858 305 R HN 0.330 nan 8.270 nan 0.000 0.439 306 A N -0.307 122.582 122.820 0.116 0.000 1.970 306 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 306 A C 1.770 179.432 177.584 0.131 0.000 1.170 306 A CA 1.060 53.160 52.037 0.105 0.000 0.645 306 A CB -0.623 18.411 19.000 0.057 0.000 0.816 306 A HN 0.426 nan 8.150 nan 0.000 0.447 307 H N 0.297 119.443 119.070 0.127 0.000 2.387 307 H HA -0.107 4.448 4.556 -0.002 0.000 0.299 307 H C 1.667 177.097 175.328 0.169 0.000 1.099 307 H CA 1.731 57.884 56.048 0.175 0.000 1.315 307 H CB -0.014 29.846 29.762 0.163 0.000 1.380 307 H HN 0.433 nan 8.280 nan 0.000 0.513 308 N N 0.667 119.486 118.700 0.198 0.000 2.171 308 N HA -0.069 4.670 4.740 -0.002 0.000 0.184 308 N C 2.223 177.730 175.510 -0.005 0.000 1.021 308 N CA 0.545 53.643 53.050 0.080 0.000 0.854 308 N CB -0.285 38.236 38.487 0.057 0.000 0.994 308 N HN 0.334 nan 8.380 nan 0.000 0.426 309 I N 0.638 121.212 120.570 0.007 0.000 2.226 309 I HA -0.266 3.903 4.170 -0.002 0.000 0.245 309 I C 2.204 178.218 176.117 -0.171 0.000 1.100 309 I CA 1.084 62.332 61.300 -0.087 0.000 1.374 309 I CB -0.360 37.587 38.000 -0.087 0.000 1.057 309 I HN 0.253 nan 8.210 nan 0.000 0.413 310 H N 0.247 119.247 119.070 -0.116 0.000 2.321 310 H HA -0.172 4.383 4.556 -0.002 0.000 0.300 310 H C 2.217 177.409 175.328 -0.226 0.000 1.087 310 H CA 1.851 57.798 56.048 -0.167 0.000 1.319 310 H CB -0.214 29.433 29.762 -0.191 0.000 1.379 310 H HN 0.221 nan 8.280 nan 0.000 0.501 311 L N 0.941 122.122 121.223 -0.070 0.000 2.042 311 L HA -0.144 4.195 4.340 -0.002 0.000 0.210 311 L C 2.215 178.742 176.870 -0.573 0.000 1.076 311 L CA 1.561 56.281 54.840 -0.198 0.000 0.749 311 L CB -0.691 41.357 42.059 -0.018 0.000 0.893 311 L HN -0.031 nan 8.230 nan 0.000 0.432 312 S N -1.035 114.252 115.700 -0.689 0.000 2.500 312 S HA -0.138 4.330 4.470 -0.002 0.000 0.239 312 S C 1.684 175.957 174.600 -0.545 0.000 0.989 312 S CA 1.191 58.788 58.200 -1.005 0.000 0.951 312 S CB -0.839 62.082 63.200 -0.465 0.000 0.759 312 S HN 0.817 nan 8.310 nan 0.000 0.523 313 T N -0.480 113.863 114.554 -0.351 0.000 3.118 313 T HA 0.175 4.524 4.350 -0.002 0.000 0.260 313 T C 0.488 175.102 174.700 -0.144 0.000 1.139 313 T CA -0.026 61.953 62.100 -0.203 0.000 1.085 313 T CB -0.345 68.413 68.868 -0.183 0.000 0.934 313 T HN -0.011 nan 8.240 nan 0.000 0.518 314 L N 2.852 124.004 121.223 -0.120 0.000 2.464 314 L HA 0.290 4.629 4.340 -0.002 0.000 0.264 314 L C 1.881 178.925 176.870 0.290 0.000 1.199 314 L CA 0.336 55.192 54.840 0.027 0.000 0.818 314 L CB 0.897 42.866 42.059 -0.150 0.000 1.102 314 L HN 0.335 nan 8.230 nan 0.000 0.473 315 S N 0.032 115.898 115.700 0.276 0.000 2.461 315 S HA -0.097 4.372 4.470 -0.002 0.000 0.228 315 S C 1.218 175.954 174.600 0.225 0.000 1.005 315 S CA 0.901 59.216 58.200 0.192 0.000 0.942 315 S CB -0.491 62.763 63.200 0.089 0.000 0.776 315 S HN 0.752 nan 8.310 nan 0.000 0.514 316 N N -0.204 118.678 118.700 0.304 0.000 2.383 316 N HA 0.129 4.868 4.740 -0.002 0.000 0.192 316 N C -1.016 174.457 175.510 -0.061 0.000 1.141 316 N CA -0.233 52.760 53.050 -0.095 0.000 0.851 316 N CB 0.002 38.103 38.487 -0.644 0.000 0.976 316 N HN 0.309 nan 8.380 nan 0.000 0.465 317 F N 1.326 121.372 119.950 0.161 0.000 2.652 317 F HA 0.236 4.762 4.527 -0.002 0.000 0.352 317 F C 1.292 177.162 175.800 0.116 0.000 1.259 317 F CA -0.154 57.936 58.000 0.149 0.000 1.249 317 F CB 0.305 39.392 39.000 0.144 0.000 1.628 317 F HN -0.102 nan 8.300 nan 0.000 0.654 318 R N 1.199 121.801 120.500 0.170 0.000 2.334 318 R HA 0.285 4.624 4.340 -0.002 0.000 0.216 318 R C -0.160 176.220 176.300 0.135 0.000 0.905 318 R CA 0.183 56.360 56.100 0.129 0.000 1.064 318 R CB 0.343 30.686 30.300 0.072 0.000 1.046 318 R HN 0.392 nan 8.270 nan 0.000 0.508 319 L N 0.863 122.201 121.223 0.191 0.000 2.354 319 L HA 0.490 4.829 4.340 -0.002 0.000 0.269 319 L C -2.433 174.547 176.870 0.184 0.000 1.005 319 L CA -2.700 52.231 54.840 0.152 0.000 0.819 319 L CB 2.005 44.150 42.059 0.144 0.000 1.311 319 L HN -0.275 nan 8.230 nan 0.000 0.423 320 P HA 0.138 nan 4.420 nan 0.000 0.269 320 P C -0.415 176.989 177.300 0.173 0.000 1.215 320 P CA -0.163 62.999 63.100 0.104 0.000 0.780 320 P CB 0.630 32.351 31.700 0.036 0.000 0.898 321 G N 0.206 109.151 108.800 0.241 0.000 2.489 321 G HA2 0.300 4.259 3.960 -0.002 0.000 0.327 321 G HA3 0.300 4.259 3.960 -0.002 0.000 0.327 321 G C -0.709 174.353 174.900 0.270 0.000 1.189 321 G CA -0.461 44.862 45.100 0.370 0.000 0.962 321 G HN 0.294 nan 8.290 nan 0.000 0.486 322 D N 1.121 121.717 120.400 0.327 0.000 3.134 322 D HA 0.154 4.793 4.640 -0.002 0.000 0.248 322 D C 0.897 177.288 176.300 0.151 0.000 1.273 322 D CA 0.146 54.273 54.000 0.213 0.000 0.904 322 D CB 0.182 41.126 40.800 0.239 0.000 1.089 322 D HN 0.375 nan 8.370 nan 0.000 0.478 323 T N -2.061 112.584 114.554 0.152 0.000 3.377 323 T HA 0.314 4.663 4.350 -0.002 0.000 0.270 323 T C 0.719 175.523 174.700 0.172 0.000 1.586 323 T CA -0.779 61.399 62.100 0.130 0.000 1.487 323 T CB 0.085 69.010 68.868 0.094 0.000 0.994 323 T HN 0.005 nan 8.240 nan 0.000 0.689 324 S N 1.487 117.322 115.700 0.225 0.000 2.640 324 S HA 0.505 4.974 4.470 -0.002 0.000 0.262 324 S C 0.427 175.196 174.600 0.282 0.000 1.232 324 S CA -0.748 57.621 58.200 0.282 0.000 0.988 324 S CB 0.189 63.522 63.200 0.222 0.000 1.034 324 S HN 0.492 nan 8.310 nan 0.000 0.569 325 S N 0.661 116.505 115.700 0.240 0.000 2.552 325 S HA 0.338 4.807 4.470 -0.002 0.000 0.289 325 S C 1.482 176.229 174.600 0.245 0.000 1.304 325 S CA -0.143 58.168 58.200 0.185 0.000 1.063 325 S CB 0.563 63.834 63.200 0.118 0.000 0.848 325 S HN 0.936 nan 8.310 nan 0.000 0.499 326 A N 3.060 126.040 122.820 0.267 0.000 2.019 326 A HA -0.087 4.232 4.320 -0.002 0.000 0.219 326 A C 2.222 179.990 177.584 0.306 0.000 1.164 326 A CA 1.527 53.802 52.037 0.397 0.000 0.644 326 A CB -0.807 18.414 19.000 0.367 0.000 0.805 326 A HN 0.896 nan 8.150 nan 0.000 0.449 327 S N -0.261 115.529 115.700 0.150 0.000 2.515 327 S HA -0.084 4.385 4.470 -0.002 0.000 0.231 327 S C 1.652 176.212 174.600 -0.067 0.000 0.987 327 S CA 0.758 58.998 58.200 0.067 0.000 0.936 327 S CB -0.387 62.840 63.200 0.045 0.000 0.766 327 S HN 0.657 nan 8.310 nan 0.000 0.528 328 R N -0.534 119.839 120.500 -0.212 0.000 2.236 328 R HA 0.102 4.441 4.340 -0.002 0.000 0.208 328 R C 0.951 176.781 176.300 -0.783 0.000 1.036 328 R CA 1.167 56.947 56.100 -0.534 0.000 1.001 328 R CB -0.233 29.611 30.300 -0.761 0.000 0.896 328 R HN 0.614 nan 8.270 nan 0.000 0.464 329 Y N -2.335 117.769 120.300 -0.326 0.000 2.589 329 Y HA 0.184 4.733 4.550 -0.002 0.000 0.271 329 Y C 0.252 175.702 175.900 -0.750 0.000 1.107 329 Y CA -0.701 56.966 58.100 -0.721 0.000 1.273 329 Y CB 0.450 38.204 38.460 -1.176 0.000 1.266 329 Y HN -0.066 nan 8.280 nan 0.000 0.504 330 W N 1.253 122.640 121.300 0.146 0.000 2.656 330 W HA 0.413 5.072 4.660 -0.001 0.000 0.327 330 W C 0.803 177.345 176.519 0.039 0.000 1.041 330 W CA -0.825 56.576 57.345 0.094 0.000 1.229 330 W CB 1.222 30.750 29.460 0.113 0.000 1.397 330 W HN -0.263 nan 8.180 nan 0.000 0.479 331 E N 1.374 121.725 120.200 0.253 0.000 2.070 331 E HA -0.161 4.188 4.350 -0.002 0.000 0.197 331 E C 0.352 177.013 176.600 0.101 0.000 1.004 331 E CA 1.353 57.832 56.400 0.132 0.000 0.805 331 E CB 0.153 29.911 29.700 0.097 0.000 0.744 331 E HN 0.383 nan 8.360 nan 0.000 0.451 332 R N 0.687 121.257 120.500 0.117 0.000 2.533 332 R HA 0.126 4.465 4.340 -0.002 0.000 0.288 332 R C -1.197 175.095 176.300 -0.015 0.000 1.039 332 R CA -0.506 55.550 56.100 -0.073 0.000 0.909 332 R CB 1.445 31.493 30.300 -0.421 0.000 1.195 332 R HN -0.133 nan 8.270 nan 0.000 0.438 333 D N 2.648 123.026 120.400 -0.036 0.000 2.354 333 D HA 0.120 4.759 4.640 -0.002 0.000 0.247 333 D C 0.837 177.138 176.300 0.002 0.000 1.138 333 D CA -0.395 53.556 54.000 -0.083 0.000 0.958 333 D CB 1.305 42.098 40.800 -0.012 0.000 1.144 333 D HN 0.426 nan 8.370 nan 0.000 0.458 334 L N 0.381 121.609 121.223 0.009 0.000 2.611 334 L HA 0.306 4.645 4.340 -0.002 0.000 0.229 334 L C 0.604 177.531 176.870 0.094 0.000 1.137 334 L CA -0.056 54.888 54.840 0.173 0.000 0.901 334 L CB -1.298 40.778 42.059 0.029 0.000 1.098 334 L HN 0.280 nan 8.230 nan 0.000 0.456 335 I N -3.999 116.592 120.570 0.036 0.000 2.982 335 I HA 0.455 4.624 4.170 -0.002 0.000 0.312 335 I C 0.911 177.042 176.117 0.022 0.000 1.041 335 I CA -0.776 60.542 61.300 0.030 0.000 1.053 335 I CB 1.181 39.192 38.000 0.019 0.000 1.248 335 I HN -0.100 nan 8.210 nan 0.000 0.471 336 Q N 0.404 120.215 119.800 0.020 0.000 2.212 336 Q HA 0.044 4.383 4.340 -0.002 0.000 0.199 336 Q C -0.295 175.708 176.000 0.005 0.000 0.950 336 Q CA 0.915 56.724 55.803 0.009 0.000 0.863 336 Q CB 0.031 28.777 28.738 0.013 0.000 0.944 336 Q HN 0.625 nan 8.270 nan 0.000 0.465 337 E N 2.069 122.277 120.200 0.012 0.000 2.313 337 E HA 0.128 4.477 4.350 -0.002 0.000 0.276 337 E C -2.358 174.256 176.600 0.024 0.000 1.031 337 E CA -1.928 54.481 56.400 0.016 0.000 0.857 337 E CB 0.474 30.185 29.700 0.019 0.000 1.040 337 E HN 0.037 nan 8.360 nan 0.000 0.408 338 P HA 0.176 nan 4.420 nan 0.000 0.286 338 P C -0.914 176.415 177.300 0.048 0.000 1.269 338 P CA -0.319 62.804 63.100 0.039 0.000 0.787 338 P CB 0.647 32.364 31.700 0.028 0.000 0.920 339 L N 3.752 125.020 121.223 0.075 0.000 2.297 339 L HA 0.373 4.712 4.340 -0.002 0.000 0.277 339 L C 0.461 177.384 176.870 0.089 0.000 1.040 339 L CA -0.141 54.746 54.840 0.077 0.000 0.867 339 L CB 0.504 42.622 42.059 0.097 0.000 1.244 339 L HN 0.193 nan 8.230 nan 0.000 0.433 340 E N 2.831 123.067 120.200 0.059 0.000 2.216 340 E HA 0.500 4.848 4.350 -0.002 0.000 0.260 340 E C -0.592 176.026 176.600 0.030 0.000 0.880 340 E CA -0.497 55.935 56.400 0.054 0.000 0.765 340 E CB 2.497 32.218 29.700 0.036 0.000 1.174 340 E HN 0.507 nan 8.360 nan 0.000 0.417 341 A N 2.462 125.303 122.820 0.035 0.000 2.371 341 A HA 0.512 4.831 4.320 -0.002 0.000 0.257 341 A C -0.122 177.422 177.584 -0.066 0.000 1.089 341 A CA -0.376 51.653 52.037 -0.013 0.000 0.794 341 A CB 0.610 19.610 19.000 0.000 0.000 1.029 341 A HN 0.321 nan 8.150 nan 0.000 0.488 342 V N 2.373 122.233 119.914 -0.091 0.000 2.577 342 V HA 0.376 4.495 4.120 -0.002 0.000 0.303 342 V C 0.001 176.012 176.094 -0.140 0.000 1.042 342 V CA 0.160 62.398 62.300 -0.103 0.000 0.872 342 V CB 1.292 33.079 31.823 -0.060 0.000 0.998 342 V HN 1.126 nan 8.190 nan 0.000 0.423 343 D N 3.969 124.261 120.400 -0.181 0.000 2.837 343 D HA -0.179 4.460 4.640 -0.002 0.000 0.230 343 D C 1.265 177.438 176.300 -0.212 0.000 1.152 343 D CA 2.122 56.017 54.000 -0.175 0.000 0.736 343 D CB -1.045 39.696 40.800 -0.098 0.000 1.084 343 D HN 1.632 nan 8.370 nan 0.000 0.429 344 G N -1.344 107.241 108.800 -0.358 0.000 2.155 344 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.257 344 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.257 344 G C 0.253 175.084 174.900 -0.114 0.000 0.983 344 G CA 0.511 45.434 45.100 -0.294 0.000 0.676 344 G HN 0.579 nan 8.290 nan 0.000 0.528 345 L N -0.455 120.708 121.223 -0.100 0.000 2.333 345 L HA 0.734 5.073 4.340 -0.002 0.000 0.280 345 L C 0.126 176.974 176.870 -0.036 0.000 1.004 345 L CA -1.095 53.716 54.840 -0.048 0.000 0.820 345 L CB 1.856 43.889 42.059 -0.042 0.000 1.247 345 L HN 0.147 nan 8.230 nan 0.000 0.416 346 M N 6.991 126.582 119.600 -0.015 0.000 2.066 346 M HA 0.473 4.952 4.480 -0.002 0.000 0.340 346 M C -2.460 173.822 176.300 -0.032 0.000 1.053 346 M CA -2.240 53.054 55.300 -0.009 0.000 0.983 346 M CB 1.071 33.680 32.600 0.016 0.000 1.520 346 M HN 0.090 nan 8.290 nan 0.000 0.428 347 P HA 0.040 nan 4.420 nan 0.000 0.269 347 P C -0.819 176.432 177.300 -0.081 0.000 1.209 347 P CA -0.234 62.836 63.100 -0.050 0.000 0.776 347 P CB 0.305 31.984 31.700 -0.035 0.000 0.876 348 V N 5.214 125.054 119.914 -0.124 0.000 2.470 348 V HA 0.109 4.228 4.120 -0.002 0.000 0.276 348 V C -1.784 174.225 176.094 -0.141 0.000 1.040 348 V CA -1.293 60.873 62.300 -0.225 0.000 1.008 348 V CB 0.006 31.649 31.823 -0.299 0.000 0.990 348 V HN 0.550 nan 8.190 nan 0.000 0.477 349 P HA 0.132 nan 4.420 nan 0.000 0.262 349 P C -0.537 176.786 177.300 0.038 0.000 1.199 349 P CA -0.179 62.924 63.100 0.006 0.000 0.763 349 P CB 0.277 32.017 31.700 0.066 0.000 0.790 350 Q N 1.870 121.680 119.800 0.016 0.000 2.395 350 Q HA 0.523 4.862 4.340 -0.002 0.000 0.271 350 Q C 1.004 177.021 176.000 0.027 0.000 1.026 350 Q CA 0.685 56.500 55.803 0.019 0.000 0.900 350 Q CB 0.188 28.928 28.738 0.003 0.000 1.266 350 Q HN 0.788 nan 8.270 nan 0.000 0.430 351 G N 1.002 109.815 108.800 0.021 0.000 2.392 351 G HA2 0.021 3.980 3.960 -0.002 0.000 0.677 351 G HA3 0.021 3.980 3.960 -0.002 0.000 0.677 351 G C -3.024 171.865 174.900 -0.018 0.000 1.334 351 G CA -1.146 43.953 45.100 -0.001 0.000 0.961 351 G HN 0.507 nan 8.290 nan 0.000 0.616 352 P HA 0.468 nan 4.420 nan 0.000 0.272 352 P C 1.349 178.565 177.300 -0.140 0.000 1.230 352 P CA 1.525 64.571 63.100 -0.089 0.000 0.788 352 P CB 0.751 32.399 31.700 -0.087 0.000 0.949 353 G N 1.753 110.440 108.800 -0.187 0.000 2.611 353 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.301 353 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.301 353 G C 1.140 175.732 174.900 -0.513 0.000 1.233 353 G CA 1.414 46.355 45.100 -0.265 0.000 0.993 353 G HN 0.718 nan 8.290 nan 0.000 0.553 354 T N -1.120 113.138 114.554 -0.493 0.000 2.995 354 T HA 0.345 4.694 4.350 -0.002 0.000 0.269 354 T C 2.654 177.226 174.700 -0.213 0.000 1.091 354 T CA 1.854 63.591 62.100 -0.604 0.000 1.128 354 T CB -0.340 68.254 68.868 -0.456 0.000 0.891 354 T HN 2.790 nan 8.240 nan 0.000 0.492 355 G N 0.770 109.494 108.800 -0.127 0.000 2.160 355 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.251 355 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.251 355 G C 0.167 175.071 174.900 0.006 0.000 1.008 355 G CA 0.516 45.613 45.100 -0.005 0.000 0.724 355 G HN 1.608 nan 8.290 nan 0.000 0.514 356 V N -4.017 115.883 119.914 -0.023 0.000 3.155 356 V HA 1.035 5.154 4.120 -0.002 0.000 0.313 356 V C -0.106 175.980 176.094 -0.013 0.000 1.162 356 V CA -0.185 62.111 62.300 -0.007 0.000 1.048 356 V CB 2.214 34.040 31.823 0.004 0.000 1.092 356 V HN 0.739 nan 8.190 nan 0.000 0.447 357 T N 1.969 116.525 114.554 0.002 0.000 3.071 357 T HA 0.539 4.888 4.350 -0.002 0.000 0.311 357 T C -0.569 174.143 174.700 0.020 0.000 1.042 357 T CA -0.435 61.669 62.100 0.008 0.000 1.028 357 T CB 1.272 70.146 68.868 0.010 0.000 1.068 357 T HN 0.802 nan 8.240 nan 0.000 0.451 358 L N 2.479 123.716 121.223 0.024 0.000 2.514 358 L HA 0.162 4.501 4.340 -0.002 0.000 0.280 358 L C 0.675 177.574 176.870 0.049 0.000 1.223 358 L CA -0.083 54.778 54.840 0.034 0.000 0.864 358 L CB 0.334 42.411 42.059 0.030 0.000 1.118 358 L HN 0.654 nan 8.230 nan 0.000 0.494 359 D N 2.897 123.343 120.400 0.077 0.000 2.494 359 D HA 0.067 4.706 4.640 -0.002 0.000 0.217 359 D C 1.074 177.436 176.300 0.102 0.000 1.153 359 D CA -0.317 53.745 54.000 0.103 0.000 0.954 359 D CB 0.554 41.447 40.800 0.156 0.000 1.034 359 D HN 0.285 nan 8.370 nan 0.000 0.518 360 R N 2.151 122.689 120.500 0.063 0.000 2.105 360 R HA -0.129 4.210 4.340 -0.002 0.000 0.239 360 R C 1.728 178.050 176.300 0.038 0.000 1.135 360 R CA 0.967 57.092 56.100 0.040 0.000 0.967 360 R CB -0.222 30.100 30.300 0.037 0.000 0.861 360 R HN 0.595 nan 8.270 nan 0.000 0.442 361 E N -0.092 120.145 120.200 0.063 0.000 2.031 361 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 361 E C 1.975 178.634 176.600 0.099 0.000 0.994 361 E CA 1.050 57.491 56.400 0.069 0.000 0.800 361 E CB -0.841 28.904 29.700 0.075 0.000 0.752 361 E HN 0.308 nan 8.360 nan 0.000 0.447 362 F N 2.146 122.095 119.950 -0.002 0.000 2.163 362 F HA -0.052 4.473 4.527 -0.002 0.000 0.297 362 F C 2.252 178.047 175.800 -0.009 0.000 1.094 362 F CA 0.699 58.697 58.000 -0.004 0.000 1.290 362 F CB -0.304 38.691 39.000 -0.008 0.000 1.017 362 F HN 0.012 nan 8.300 nan 0.000 0.483 363 L N 1.455 122.562 121.223 -0.193 0.000 2.013 363 L HA -0.140 4.199 4.340 -0.002 0.000 0.212 363 L C 2.441 179.153 176.870 -0.264 0.000 1.073 363 L CA 2.269 56.936 54.840 -0.289 0.000 0.753 363 L CB -1.555 40.443 42.059 -0.102 0.000 0.890 363 L HN 0.183 nan 8.230 nan 0.000 0.432 364 A N -1.167 121.565 122.820 -0.147 0.000 1.948 364 A HA -0.276 4.043 4.320 -0.002 0.000 0.220 364 A C 2.346 179.851 177.584 -0.131 0.000 1.177 364 A CA 2.464 54.439 52.037 -0.103 0.000 0.636 364 A CB -1.472 17.500 19.000 -0.047 0.000 0.815 364 A HN 0.684 nan 8.150 nan 0.000 0.449 365 T N -2.425 112.018 114.554 -0.184 0.000 3.072 365 T HA 0.074 4.423 4.350 -0.002 0.000 0.266 365 T C 0.962 175.541 174.700 -0.202 0.000 1.127 365 T CA 1.377 63.384 62.100 -0.156 0.000 1.107 365 T CB -0.379 68.437 68.868 -0.086 0.000 0.910 365 T HN 0.874 nan 8.240 nan 0.000 0.513 366 V N -2.565 117.168 119.914 -0.302 0.000 3.252 366 V HA 0.403 4.522 4.120 -0.002 0.000 0.320 366 V C 0.372 176.372 176.094 -0.157 0.000 1.459 366 V CA -0.707 61.457 62.300 -0.227 0.000 1.095 366 V CB -0.513 31.124 31.823 -0.310 0.000 0.997 366 V HN 0.183 nan 8.190 nan 0.000 0.469 367 T N 2.299 116.770 114.554 -0.138 0.000 2.834 367 T HA 0.224 4.573 4.350 -0.002 0.000 0.298 367 T C 1.004 175.663 174.700 -0.069 0.000 0.966 367 T CA 0.284 62.328 62.100 -0.093 0.000 1.141 367 T CB 1.193 70.015 68.868 -0.076 0.000 0.905 367 T HN 0.462 nan 8.240 nan 0.000 0.535 368 E N 1.258 121.424 120.200 -0.056 0.000 2.216 368 E HA 0.291 4.640 4.350 -0.002 0.000 0.192 368 E C 0.597 177.176 176.600 -0.035 0.000 0.973 368 E CA 0.208 56.580 56.400 -0.046 0.000 0.851 368 E CB 0.511 30.186 29.700 -0.042 0.000 0.804 368 E HN 0.704 nan 8.360 nan 0.000 0.477 369 A N 0.679 123.481 122.820 -0.031 0.000 2.608 369 A HA 0.561 4.880 4.320 -0.002 0.000 0.292 369 A C -1.486 176.089 177.584 -0.016 0.000 1.066 369 A CA -0.562 51.462 52.037 -0.022 0.000 0.676 369 A CB 2.098 21.088 19.000 -0.016 0.000 1.277 369 A HN 0.006 nan 8.150 nan 0.000 0.413 370 Q N 0.317 120.110 119.800 -0.011 0.000 2.503 370 Q HA 0.552 4.891 4.340 -0.002 0.000 0.268 370 Q C -1.886 174.109 176.000 -0.007 0.000 0.982 370 Q CA -0.370 55.431 55.803 -0.003 0.000 0.907 370 Q CB 1.792 30.525 28.738 -0.008 0.000 1.467 370 Q HN 0.981 nan 8.270 nan 0.000 0.394 371 E N 2.244 122.446 120.200 0.005 0.000 2.412 371 E HA 0.483 4.831 4.350 -0.002 0.000 0.279 371 E C -1.502 175.081 176.600 -0.028 0.000 0.984 371 E CA -0.923 55.449 56.400 -0.047 0.000 0.788 371 E CB 2.345 31.996 29.700 -0.081 0.000 1.277 371 E HN 0.517 nan 8.360 nan 0.000 0.455 372 E N 0.800 120.930 120.200 -0.118 0.000 2.238 372 E HA 0.388 4.737 4.350 -0.002 0.000 0.267 372 E C -1.530 174.952 176.600 -0.196 0.000 0.887 372 E CA -0.728 55.651 56.400 -0.034 0.000 0.769 372 E CB 1.462 31.163 29.700 0.001 0.000 1.187 372 E HN 0.525 nan 8.360 nan 0.000 0.416 373 H N 1.528 120.628 119.070 0.050 0.000 2.572 373 H HA 0.519 5.073 4.556 -0.002 0.000 0.359 373 H C -0.361 175.000 175.328 0.054 0.000 1.134 373 H CA -0.658 55.416 56.048 0.044 0.000 1.187 373 H CB 1.493 31.281 29.762 0.044 0.000 1.597 373 H HN 0.254 nan 8.280 nan 0.000 0.524 374 R N 0.850 121.438 120.500 0.147 0.000 2.939 374 R HA 0.781 5.120 4.340 -0.002 0.000 0.254 374 R C -0.223 176.133 176.300 0.092 0.000 1.123 374 R CA -1.209 54.953 56.100 0.102 0.000 1.020 374 R CB 1.917 32.251 30.300 0.057 0.000 1.206 374 R HN 0.695 nan 8.270 nan 0.000 0.491 375 A N 0.000 122.865 122.820 0.075 0.000 2.254 375 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 375 A CA 0.000 52.073 52.037 0.060 0.000 0.836 375 A CB 0.000 19.030 19.000 0.050 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486