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 1tez_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAPILFWHRR DLRLSDNIGL AAARAQSAQL IGLFCLDPQI LQSADMAPAR DATA SEQUENCE VAYLQGCLQE LQQRYQQAGS RLLLLQGDPQ HLIPQLAQQL QAEAVYWNQD DATA SEQUENCE IEPYGRDRDG QVAAALKTAG IRAVQLWDQL LHSPDQILSG SGNPYSVYGP DATA SEQUENCE FWKNWQAQPK PTPVATPTEL VDLSPEQLTA IAPLLLSELP TLKQLGFDWD DATA SEQUENCE GGFPVEPGET AAIARLQEFC DRAIADYDPQ RNFPAEAGTS GLSPALKFGA DATA SEQUENCE IGIRQAWQAA SAAHALSRSD EARNSIRVWQ QELAWREFYQ HALYHFPSLA DATA SEQUENCE DGPYRSLWQQ FPWENREALF TAWTQAQTGY PIVDAAMRQL TETGWMHNRC DATA SEQUENCE RMIVASFLTK DLIIDWRRGE QFFMQHLVDG DLAANNGGWQ WSASSGMDPK DATA SEQUENCE PLRIFNPASQ AKKFDATATY IKRWLPELRH VHPKDLISGE ITPIERRGYP DATA SEQUENCE APIVNHNLRQ KQFKALYNQL KAAI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.597 177.584 0.022 0.000 1.274 2 A CA 0.000 52.048 52.037 0.019 0.000 0.836 2 A CB 0.000 19.010 19.000 0.017 0.000 0.831 3 A N 1.207 124.043 122.820 0.026 0.000 2.312 3 A HA 0.762 5.082 4.320 0.000 0.000 0.326 3 A C -2.881 174.724 177.584 0.036 0.000 1.172 3 A CA -1.586 50.469 52.037 0.030 0.000 0.821 3 A CB 0.186 19.205 19.000 0.033 0.000 1.166 3 A HN 0.120 nan 8.150 nan 0.000 0.493 4 P HA 0.437 nan 4.420 nan 0.000 0.274 4 P C -0.841 176.494 177.300 0.059 0.000 1.237 4 P CA -0.094 63.033 63.100 0.045 0.000 0.793 4 P CB 0.564 32.289 31.700 0.042 0.000 0.977 5 I N 1.629 122.238 120.570 0.065 0.000 2.404 5 I HA 0.303 4.473 4.170 0.000 0.000 0.293 5 I C -0.152 176.037 176.117 0.120 0.000 0.992 5 I CA -0.789 60.564 61.300 0.088 0.000 1.149 5 I CB 1.154 39.171 38.000 0.029 0.000 1.315 5 I HN 0.077 nan 8.210 nan 0.000 0.446 6 L N 6.022 127.341 121.223 0.160 0.000 2.309 6 L HA 0.421 4.761 4.340 0.000 0.000 0.282 6 L C -0.859 176.173 176.870 0.269 0.000 1.036 6 L CA -0.498 54.447 54.840 0.175 0.000 0.806 6 L CB 1.456 43.586 42.059 0.117 0.000 1.220 6 L HN 0.425 nan 8.230 nan 0.000 0.429 7 F N 3.042 123.099 119.950 0.178 0.000 2.402 7 F HA 0.336 4.864 4.527 0.000 0.000 0.355 7 F C -0.810 175.139 175.800 0.248 0.000 1.123 7 F CA -0.731 57.393 58.000 0.205 0.000 1.021 7 F CB 1.069 40.135 39.000 0.109 0.000 1.160 7 F HN 0.413 nan 8.300 nan 0.000 0.451 8 W N 8.851 129.768 121.300 -0.638 0.000 2.357 8 W HA 0.312 4.972 4.660 0.000 0.000 0.317 8 W C -0.807 175.449 176.519 -0.438 0.000 1.101 8 W CA -0.857 56.258 57.345 -0.383 0.000 1.380 8 W CB -0.124 29.146 29.460 -0.317 0.000 1.266 8 W HN 0.475 nan 8.180 nan 0.000 0.419 9 H N 5.904 125.105 119.070 0.219 0.000 2.525 9 H HA 0.276 4.832 4.556 0.000 0.000 0.339 9 H C 0.234 175.586 175.328 0.039 0.000 1.109 9 H CA 0.217 56.429 56.048 0.273 0.000 1.352 9 H CB 1.770 31.867 29.762 0.558 0.000 1.461 9 H HN 0.426 nan 8.280 nan 0.000 0.533 10 R N 0.656 121.235 120.500 0.132 0.000 3.372 10 R HA 0.097 4.437 4.340 0.000 0.000 0.150 10 R C 0.645 177.145 176.300 0.333 0.000 0.739 10 R CA 0.161 56.283 56.100 0.037 0.000 1.041 10 R CB 0.448 30.512 30.300 -0.395 0.000 1.530 10 R HN 0.502 nan 8.270 nan 0.000 0.534 11 R N 1.119 121.762 120.500 0.238 0.000 2.698 11 R HA 0.278 4.618 4.340 0.000 0.000 0.422 11 R C -1.178 175.296 176.300 0.290 0.000 1.073 11 R CA -0.125 56.146 56.100 0.285 0.000 1.054 11 R CB 0.312 30.686 30.300 0.124 0.000 1.373 11 R HN 0.082 nan 8.270 nan 0.000 0.593 12 D N 0.994 121.612 120.400 0.363 0.000 2.945 12 D HA 0.073 4.713 4.640 0.000 0.000 0.340 12 D C -0.142 176.419 176.300 0.435 0.000 1.240 12 D CA -0.522 53.697 54.000 0.365 0.000 0.749 12 D CB -0.019 41.007 40.800 0.376 0.000 1.217 12 D HN 0.218 nan 8.370 nan 0.000 0.514 13 L N 1.753 123.162 121.223 0.311 0.000 2.376 13 L HA 0.300 4.640 4.340 0.000 0.000 0.250 13 L C 0.597 177.502 176.870 0.059 0.000 1.335 13 L CA 0.059 54.984 54.840 0.142 0.000 1.214 13 L CB -0.819 41.270 42.059 0.049 0.000 1.395 13 L HN 0.237 nan 8.230 nan 0.000 0.424 14 R N -0.060 120.492 120.500 0.086 0.000 2.712 14 R HA 0.351 4.691 4.340 0.000 0.000 0.272 14 R C -0.747 175.574 176.300 0.034 0.000 1.032 14 R CA -1.030 55.090 56.100 0.033 0.000 0.874 14 R CB 1.041 31.380 30.300 0.065 0.000 1.256 14 R HN -0.045 nan 8.270 nan 0.000 0.468 15 L N 0.764 121.953 121.223 -0.057 0.000 2.470 15 L HA 0.224 4.564 4.340 0.000 0.000 0.219 15 L C 0.424 177.246 176.870 -0.080 0.000 1.071 15 L CA 1.101 55.868 54.840 -0.121 0.000 0.850 15 L CB 0.453 42.374 42.059 -0.230 0.000 1.040 15 L HN 0.826 nan 8.230 nan 0.000 0.475 16 S N -1.250 114.426 115.700 -0.040 0.000 2.617 16 S HA 0.209 4.679 4.470 0.000 0.000 0.269 16 S C 0.377 174.981 174.600 0.007 0.000 1.292 16 S CA -0.341 57.848 58.200 -0.019 0.000 1.010 16 S CB 0.885 64.083 63.200 -0.003 0.000 0.944 16 S HN 0.290 nan 8.310 nan 0.000 0.536 17 D N 0.605 121.011 120.400 0.010 0.000 2.779 17 D HA -0.236 4.404 4.640 0.000 0.000 0.223 17 D C -0.707 175.614 176.300 0.036 0.000 1.227 17 D CA 0.774 54.792 54.000 0.029 0.000 0.653 17 D CB -1.465 39.369 40.800 0.056 0.000 0.973 17 D HN 0.624 nan 8.370 nan 0.000 0.402 18 N N 1.927 120.627 118.700 0.001 0.000 2.524 18 N HA 0.108 4.848 4.740 0.000 0.000 0.261 18 N C 1.282 176.779 175.510 -0.022 0.000 0.998 18 N CA -0.768 52.280 53.050 -0.004 0.000 0.915 18 N CB 0.601 39.046 38.487 -0.070 0.000 1.187 18 N HN -0.011 nan 8.380 nan 0.000 0.507 19 I N 2.453 123.048 120.570 0.042 0.000 2.091 19 I HA -0.189 3.981 4.170 0.000 0.000 0.239 19 I C 2.276 178.438 176.117 0.075 0.000 1.061 19 I CA 1.639 62.974 61.300 0.058 0.000 1.317 19 I CB -1.463 36.592 38.000 0.092 0.000 1.031 19 I HN 0.613 nan 8.210 nan 0.000 0.401 20 G N 0.410 109.301 108.800 0.153 0.000 2.422 20 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 20 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 20 G C 1.755 176.749 174.900 0.156 0.000 1.146 20 G CA 0.516 45.820 45.100 0.340 0.000 0.769 20 G HN 0.306 nan 8.290 nan 0.000 0.547 21 L N 1.230 122.205 121.223 -0.413 0.000 2.056 21 L HA 0.238 4.578 4.340 0.000 0.000 0.207 21 L C 3.052 179.756 176.870 -0.278 0.000 1.078 21 L CA 1.967 56.376 54.840 -0.718 0.000 0.749 21 L CB -0.696 40.850 42.059 -0.855 0.000 0.901 21 L HN 0.221 nan 8.230 nan 0.000 0.433 22 A N -0.643 122.080 122.820 -0.161 0.000 1.902 22 A HA -0.081 4.239 4.320 0.000 0.000 0.217 22 A C 2.434 179.979 177.584 -0.065 0.000 1.181 22 A CA 1.668 53.650 52.037 -0.091 0.000 0.623 22 A CB -1.075 17.896 19.000 -0.048 0.000 0.818 22 A HN 0.528 nan 8.150 nan 0.000 0.443 23 A N -0.129 122.681 122.820 -0.016 0.000 1.902 23 A HA 0.170 4.490 4.320 0.000 0.000 0.217 23 A C 2.486 179.992 177.584 -0.131 0.000 1.181 23 A CA 2.030 54.088 52.037 0.035 0.000 0.623 23 A CB -0.951 18.173 19.000 0.207 0.000 0.818 23 A HN 1.027 nan 8.150 nan 0.000 0.443 24 A N -0.317 122.280 122.820 -0.373 0.000 1.930 24 A HA -0.119 4.201 4.320 0.000 0.000 0.217 24 A C 2.160 179.548 177.584 -0.327 0.000 1.175 24 A CA 1.991 53.568 52.037 -0.768 0.000 0.627 24 A CB -0.411 18.196 19.000 -0.655 0.000 0.815 24 A HN 0.436 nan 8.150 nan 0.000 0.443 25 R N 0.376 120.764 120.500 -0.186 0.000 2.120 25 R HA 0.008 4.348 4.340 0.000 0.000 0.234 25 R C 1.910 178.165 176.300 -0.076 0.000 1.123 25 R CA 1.669 57.708 56.100 -0.103 0.000 0.975 25 R CB -0.807 29.445 30.300 -0.082 0.000 0.866 25 R HN 0.382 nan 8.270 nan 0.000 0.446 26 A N -0.211 122.565 122.820 -0.073 0.000 2.119 26 A HA -0.067 4.253 4.320 0.000 0.000 0.217 26 A C 1.594 179.161 177.584 -0.029 0.000 1.153 26 A CA 0.964 52.979 52.037 -0.036 0.000 0.692 26 A CB -0.161 18.830 19.000 -0.015 0.000 0.799 26 A HN 0.325 nan 8.150 nan 0.000 0.458 27 Q N -1.118 118.648 119.800 -0.057 0.000 2.373 27 Q HA 0.179 4.519 4.340 0.000 0.000 0.210 27 Q C 0.310 176.296 176.000 -0.023 0.000 0.913 27 Q CA 0.887 56.673 55.803 -0.028 0.000 0.911 27 Q CB 0.480 29.201 28.738 -0.027 0.000 1.040 27 Q HN 0.495 nan 8.270 nan 0.000 0.521 28 S N -1.883 113.793 115.700 -0.041 0.000 2.543 28 S HA 0.571 5.041 4.470 0.000 0.000 0.274 28 S C -0.686 173.907 174.600 -0.012 0.000 1.149 28 S CA 0.073 58.264 58.200 -0.016 0.000 0.866 28 S CB 1.263 64.461 63.200 -0.003 0.000 1.111 28 S HN 0.065 nan 8.310 nan 0.000 0.457 29 A N 2.238 125.060 122.820 0.003 0.000 2.132 29 A HA 0.238 4.558 4.320 0.000 0.000 0.213 29 A C 1.161 178.763 177.584 0.030 0.000 1.154 29 A CA 0.532 52.577 52.037 0.012 0.000 0.753 29 A CB -0.345 18.663 19.000 0.012 0.000 0.826 29 A HN 0.759 nan 8.150 nan 0.000 0.469 30 Q N 0.643 120.461 119.800 0.031 0.000 3.181 30 Q HA 0.350 4.690 4.340 0.000 0.000 0.293 30 Q C -1.141 174.893 176.000 0.058 0.000 1.406 30 Q CA -0.350 55.480 55.803 0.044 0.000 1.026 30 Q CB -0.323 28.437 28.738 0.036 0.000 1.630 30 Q HN 0.359 nan 8.270 nan 0.000 0.553 31 L N 3.874 125.145 121.223 0.080 0.000 2.257 31 L HA 0.418 4.758 4.340 0.000 0.000 0.290 31 L C -1.213 175.763 176.870 0.177 0.000 1.044 31 L CA -0.380 54.531 54.840 0.118 0.000 0.810 31 L CB 0.943 43.068 42.059 0.110 0.000 1.193 31 L HN 0.328 nan 8.230 nan 0.000 0.425 32 I N 4.952 125.607 120.570 0.141 0.000 2.378 32 I HA 0.450 4.620 4.170 0.000 0.000 0.291 32 I C 0.866 177.000 176.117 0.029 0.000 0.992 32 I CA -0.459 60.878 61.300 0.061 0.000 1.154 32 I CB 1.017 39.036 38.000 0.032 0.000 1.315 32 I HN 0.669 nan 8.210 nan 0.000 0.448 33 G N 5.656 114.259 108.800 -0.329 0.000 2.476 33 G HA2 0.527 4.487 3.960 0.000 0.000 0.269 33 G HA3 0.527 4.487 3.960 0.000 0.000 0.269 33 G C -1.088 173.790 174.900 -0.038 0.000 1.195 33 G CA -0.211 44.732 45.100 -0.261 0.000 0.843 33 G HN 0.514 nan 8.290 nan 0.000 0.545 34 L N 0.598 121.968 121.223 0.246 0.000 2.482 34 L HA 0.848 5.188 4.340 0.000 0.000 0.263 34 L C -1.941 175.182 176.870 0.422 0.000 0.957 34 L CA -1.063 53.906 54.840 0.215 0.000 0.836 34 L CB 2.088 44.201 42.059 0.090 0.000 1.324 34 L HN 0.485 nan 8.230 nan 0.000 0.406 35 F N 4.823 124.890 119.950 0.195 0.000 2.569 35 F HA 0.640 5.167 4.527 0.000 0.000 0.312 35 F C -1.160 174.736 175.800 0.161 0.000 1.109 35 F CA -0.629 57.525 58.000 0.256 0.000 0.919 35 F CB 1.631 40.742 39.000 0.184 0.000 1.211 35 F HN 0.762 nan 8.300 nan 0.000 0.446 36 C N 8.478 127.571 119.300 -0.346 0.000 2.293 36 C HA 0.577 5.037 4.460 0.000 0.000 0.323 36 C C -0.383 174.518 174.990 -0.147 0.000 1.240 36 C CA -0.895 58.028 59.018 -0.158 0.000 1.497 36 C CB -0.757 26.865 27.740 -0.196 0.000 2.171 36 C HN 0.784 nan 8.230 nan 0.000 0.465 37 L N 5.727 127.037 121.223 0.144 0.000 2.530 37 L HA 0.180 4.520 4.340 0.000 0.000 0.273 37 L C 0.375 177.318 176.870 0.123 0.000 1.141 37 L CA 0.599 55.583 54.840 0.241 0.000 0.905 37 L CB 0.012 42.223 42.059 0.253 0.000 1.202 37 L HN 0.655 nan 8.230 nan 0.000 0.473 38 D N 6.100 126.569 120.400 0.116 0.000 2.359 38 D HA 0.206 4.846 4.640 0.000 0.000 0.230 38 D C -1.654 174.699 176.300 0.088 0.000 1.118 38 D CA -2.117 51.940 54.000 0.096 0.000 0.844 38 D CB 1.925 42.795 40.800 0.116 0.000 1.059 38 D HN 0.160 nan 8.370 nan 0.000 0.493 39 P HA -0.148 nan 4.420 nan 0.000 0.216 39 P C 1.191 178.506 177.300 0.024 0.000 1.150 39 P CA 0.983 64.120 63.100 0.061 0.000 0.837 39 P CB 0.367 32.100 31.700 0.054 0.000 0.786 40 Q N -1.077 118.719 119.800 -0.007 0.000 2.291 40 Q HA -0.073 4.267 4.340 0.000 0.000 0.206 40 Q C 2.076 177.948 176.000 -0.214 0.000 0.976 40 Q CA 1.135 56.870 55.803 -0.113 0.000 0.875 40 Q CB -0.579 28.070 28.738 -0.149 0.000 0.927 40 Q HN 0.412 nan 8.270 nan 0.000 0.450 41 I N -0.882 119.606 120.570 -0.136 0.000 2.681 41 I HA -0.123 4.047 4.170 0.000 0.000 0.247 41 I C 1.968 178.090 176.117 0.009 0.000 1.091 41 I CA 0.229 61.465 61.300 -0.107 0.000 1.442 41 I CB -0.159 37.823 38.000 -0.030 0.000 1.219 41 I HN 0.037 nan 8.210 nan 0.000 0.451 42 L N 0.442 121.713 121.223 0.079 0.000 2.131 42 L HA -0.198 4.142 4.340 0.000 0.000 0.210 42 L C 1.792 178.793 176.870 0.218 0.000 1.092 42 L CA 1.453 56.391 54.840 0.162 0.000 0.759 42 L CB -0.418 41.769 42.059 0.214 0.000 0.903 42 L HN 0.349 nan 8.230 nan 0.000 0.435 43 Q N -0.960 118.913 119.800 0.122 0.000 2.220 43 Q HA 0.110 4.450 4.340 0.000 0.000 0.205 43 Q C 0.631 176.665 176.000 0.056 0.000 0.865 43 Q CA -0.282 55.579 55.803 0.097 0.000 0.960 43 Q CB 0.732 29.502 28.738 0.054 0.000 1.097 43 Q HN 0.258 nan 8.270 nan 0.000 0.493 44 S N -0.292 115.432 115.700 0.039 0.000 2.579 44 S HA 0.248 4.718 4.470 0.000 0.000 0.275 44 S C 1.231 175.849 174.600 0.030 0.000 1.345 44 S CA 0.224 58.427 58.200 0.005 0.000 1.031 44 S CB 1.139 64.321 63.200 -0.030 0.000 0.892 44 S HN 0.407 nan 8.310 nan 0.000 0.529 45 A N 2.572 125.401 122.820 0.015 0.000 1.972 45 A HA -0.032 4.288 4.320 0.000 0.000 0.219 45 A C 0.974 178.572 177.584 0.023 0.000 1.169 45 A CA 1.615 53.667 52.037 0.024 0.000 0.635 45 A CB -0.778 18.231 19.000 0.016 0.000 0.810 45 A HN 0.952 nan 8.150 nan 0.000 0.446 46 D N -1.472 118.934 120.400 0.010 0.000 3.072 46 D HA 0.408 5.048 4.640 0.000 0.000 0.250 46 D C -0.136 176.157 176.300 -0.010 0.000 1.304 46 D CA -0.192 53.809 54.000 0.002 0.000 0.861 46 D CB -0.096 40.706 40.800 0.004 0.000 1.062 46 D HN 0.183 nan 8.370 nan 0.000 0.481 47 M N 1.261 120.860 119.600 -0.001 0.000 2.436 47 M HA 0.676 5.156 4.480 0.000 0.000 0.331 47 M C -1.433 174.818 176.300 -0.081 0.000 1.135 47 M CA -1.227 54.059 55.300 -0.023 0.000 0.987 47 M CB 1.961 34.593 32.600 0.053 0.000 1.687 47 M HN 0.156 nan 8.290 nan 0.000 0.445 48 A N 6.364 129.080 122.820 -0.173 0.000 2.330 48 A HA 0.787 5.107 4.320 0.000 0.000 0.327 48 A C -2.249 175.139 177.584 -0.327 0.000 1.155 48 A CA -1.375 50.513 52.037 -0.250 0.000 0.803 48 A CB 0.598 19.440 19.000 -0.263 0.000 1.208 48 A HN 0.759 nan 8.150 nan 0.000 0.477 49 P HA -0.174 nan 4.420 nan 0.000 0.217 49 P C 1.465 178.506 177.300 -0.431 0.000 1.150 49 P CA 1.962 64.952 63.100 -0.184 0.000 0.832 49 P CB 0.165 31.997 31.700 0.220 0.000 0.787 50 A N 0.402 122.685 122.820 -0.894 0.000 1.933 50 A HA -0.189 4.131 4.320 0.000 0.000 0.218 50 A C 2.532 179.865 177.584 -0.419 0.000 1.175 50 A CA 1.710 52.928 52.037 -1.365 0.000 0.628 50 A CB -1.266 16.759 19.000 -1.625 0.000 0.814 50 A HN 0.067 nan 8.150 nan 0.000 0.444 51 R N -0.587 119.743 120.500 -0.284 0.000 2.075 51 R HA -0.063 4.277 4.340 0.000 0.000 0.232 51 R C 1.875 178.144 176.300 -0.052 0.000 1.126 51 R CA 1.579 57.660 56.100 -0.030 0.000 0.963 51 R CB -0.303 30.005 30.300 0.013 0.000 0.858 51 R HN 0.313 nan 8.270 nan 0.000 0.435 52 V N 0.741 120.505 119.914 -0.250 0.000 2.427 52 V HA -0.157 3.963 4.120 0.000 0.000 0.248 52 V C 2.364 178.354 176.094 -0.173 0.000 1.051 52 V CA 1.744 63.865 62.300 -0.298 0.000 1.048 52 V CB -0.593 30.807 31.823 -0.705 0.000 0.666 52 V HN 0.496 nan 8.190 nan 0.000 0.456 53 A N -0.744 122.035 122.820 -0.069 0.000 1.902 53 A HA -0.261 4.059 4.320 0.000 0.000 0.217 53 A C 2.167 179.763 177.584 0.020 0.000 1.181 53 A CA 2.024 54.136 52.037 0.126 0.000 0.623 53 A CB -0.727 18.519 19.000 0.410 0.000 0.818 53 A HN 0.626 nan 8.150 nan 0.000 0.443 54 Y N -0.041 120.156 120.300 -0.171 0.000 2.200 54 Y HA -0.121 4.429 4.550 0.000 0.000 0.290 54 Y C 2.039 177.581 175.900 -0.596 0.000 1.137 54 Y CA 1.716 59.508 58.100 -0.513 0.000 1.163 54 Y CB -0.282 37.957 38.460 -0.369 0.000 0.988 54 Y HN 0.266 nan 8.280 nan 0.000 0.518 55 L N 0.643 121.504 121.223 -0.602 0.000 2.012 55 L HA -0.245 4.095 4.340 0.000 0.000 0.210 55 L C 2.441 178.973 176.870 -0.565 0.000 1.073 55 L CA 2.210 56.553 54.840 -0.829 0.000 0.748 55 L CB -1.237 40.449 42.059 -0.622 0.000 0.891 55 L HN 0.332 nan 8.230 nan 0.000 0.431 56 Q N -0.125 119.454 119.800 -0.369 0.000 2.096 56 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 56 Q C 2.056 177.877 176.000 -0.299 0.000 0.982 56 Q CA 2.029 57.673 55.803 -0.265 0.000 0.850 56 Q CB -0.663 28.001 28.738 -0.123 0.000 0.901 56 Q HN 0.689 nan 8.270 nan 0.000 0.422 57 G N -0.055 108.525 108.800 -0.366 0.000 2.422 57 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 57 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 57 G C 1.727 176.365 174.900 -0.437 0.000 1.146 57 G CA 0.950 45.821 45.100 -0.382 0.000 0.769 57 G HN 0.457 nan 8.290 nan 0.000 0.547 58 C N 0.241 119.185 119.300 -0.594 0.000 2.429 58 C HA 0.088 4.548 4.460 0.000 0.000 0.277 58 C C 2.894 177.673 174.990 -0.351 0.000 1.262 58 C CA 0.450 59.170 59.018 -0.496 0.000 1.733 58 C CB -0.998 26.410 27.740 -0.553 0.000 2.010 58 C HN 0.427 nan 8.230 nan 0.000 0.483 59 L N 0.096 121.089 121.223 -0.384 0.000 2.093 59 L HA -0.193 4.147 4.340 0.000 0.000 0.208 59 L C 2.825 179.572 176.870 -0.205 0.000 1.085 59 L CA 1.351 55.994 54.840 -0.329 0.000 0.755 59 L CB -0.778 41.026 42.059 -0.425 0.000 0.904 59 L HN 0.465 nan 8.230 nan 0.000 0.435 60 Q N -0.137 119.548 119.800 -0.193 0.000 2.061 60 Q HA -0.288 4.052 4.340 0.000 0.000 0.204 60 Q C 2.134 178.072 176.000 -0.104 0.000 0.984 60 Q CA 1.926 57.654 55.803 -0.125 0.000 0.846 60 Q CB -0.098 28.570 28.738 -0.117 0.000 0.902 60 Q HN 0.509 nan 8.270 nan 0.000 0.421 61 E N 0.353 120.472 120.200 -0.134 0.000 2.106 61 E HA -0.187 4.163 4.350 0.000 0.000 0.192 61 E C 1.974 178.527 176.600 -0.079 0.000 0.984 61 E CA 0.432 56.769 56.400 -0.105 0.000 0.806 61 E CB 0.055 29.677 29.700 -0.129 0.000 0.750 61 E HN 0.143 nan 8.360 nan 0.000 0.458 62 L N 1.280 122.447 121.223 -0.093 0.000 2.083 62 L HA -0.197 4.143 4.340 0.000 0.000 0.209 62 L C 2.112 179.032 176.870 0.082 0.000 1.083 62 L CA 1.702 56.518 54.840 -0.039 0.000 0.752 62 L CB -0.322 41.682 42.059 -0.092 0.000 0.899 62 L HN 0.166 nan 8.230 nan 0.000 0.433 63 Q N -1.098 118.723 119.800 0.036 0.000 2.050 63 Q HA -0.269 4.071 4.340 0.000 0.000 0.202 63 Q C 2.224 178.273 176.000 0.081 0.000 0.980 63 Q CA 2.063 57.909 55.803 0.072 0.000 0.840 63 Q CB -0.233 28.513 28.738 0.013 0.000 0.898 63 Q HN 0.636 nan 8.270 nan 0.000 0.424 64 Q N -0.061 119.754 119.800 0.026 0.000 2.096 64 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 64 Q C 2.169 178.178 176.000 0.016 0.000 0.982 64 Q CA 0.948 56.760 55.803 0.014 0.000 0.850 64 Q CB 0.005 28.735 28.738 -0.014 0.000 0.901 64 Q HN 0.187 nan 8.270 nan 0.000 0.422 65 R N -0.344 120.153 120.500 -0.005 0.000 2.081 65 R HA -0.133 4.207 4.340 0.000 0.000 0.235 65 R C 1.980 178.239 176.300 -0.068 0.000 1.131 65 R CA 1.336 57.400 56.100 -0.061 0.000 0.960 65 R CB -0.552 29.674 30.300 -0.123 0.000 0.856 65 R HN 0.387 nan 8.270 nan 0.000 0.436 66 Y N 1.657 121.955 120.300 -0.003 0.000 2.242 66 Y HA -0.170 4.380 4.550 0.000 0.000 0.291 66 Y C 2.666 178.576 175.900 0.017 0.000 1.137 66 Y CA 1.418 59.530 58.100 0.021 0.000 1.181 66 Y CB -0.166 38.319 38.460 0.041 0.000 0.989 66 Y HN 0.162 nan 8.280 nan 0.000 0.527 67 Q N -0.345 119.552 119.800 0.161 0.000 2.050 67 Q HA -0.306 4.034 4.340 0.000 0.000 0.202 67 Q C 2.281 178.316 176.000 0.057 0.000 0.980 67 Q CA 1.873 57.733 55.803 0.095 0.000 0.840 67 Q CB -0.310 28.466 28.738 0.062 0.000 0.898 67 Q HN 0.556 nan 8.270 nan 0.000 0.424 68 Q N 0.159 119.977 119.800 0.031 0.000 2.170 68 Q HA -0.143 4.197 4.340 0.000 0.000 0.203 68 Q C 1.864 177.866 176.000 0.004 0.000 0.976 68 Q CA 1.234 57.042 55.803 0.009 0.000 0.858 68 Q CB -0.085 28.647 28.738 -0.009 0.000 0.907 68 Q HN 0.367 nan 8.270 nan 0.000 0.433 69 A N -0.566 122.252 122.820 -0.004 0.000 2.066 69 A HA 0.141 4.461 4.320 0.000 0.000 0.218 69 A C 1.661 179.260 177.584 0.025 0.000 1.157 69 A CA 1.375 53.404 52.037 -0.014 0.000 0.670 69 A CB -0.243 18.714 19.000 -0.071 0.000 0.804 69 A HN 0.660 nan 8.150 nan 0.000 0.453 70 G N -2.112 106.721 108.800 0.056 0.000 2.421 70 G HA2 -0.110 3.850 3.960 0.000 0.000 0.188 70 G HA3 -0.110 3.850 3.960 0.000 0.000 0.188 70 G C 0.776 175.728 174.900 0.086 0.000 1.001 70 G CA 0.825 45.962 45.100 0.060 0.000 0.693 70 G HN 1.450 nan 8.290 nan 0.000 0.479 71 S N -0.012 115.773 115.700 0.142 0.000 4.359 71 S HA 0.881 5.351 4.470 0.000 0.000 0.202 71 S C 0.169 174.855 174.600 0.144 0.000 1.078 71 S CA 0.603 58.888 58.200 0.142 0.000 1.776 71 S CB 1.115 64.415 63.200 0.168 0.000 0.891 71 S HN 1.480 nan 8.310 nan 0.000 0.780 72 R N -0.771 119.799 120.500 0.116 0.000 2.741 72 R HA 0.674 5.014 4.340 0.000 0.000 0.276 72 R C -2.359 173.796 176.300 -0.243 0.000 1.028 72 R CA -0.956 55.163 56.100 0.032 0.000 0.865 72 R CB 0.642 30.949 30.300 0.013 0.000 1.268 72 R HN 0.545 nan 8.270 nan 0.000 0.475 73 L N 1.954 123.061 121.223 -0.193 0.000 2.294 73 L HA 0.458 4.798 4.340 0.000 0.000 0.283 73 L C -1.137 175.683 176.870 -0.083 0.000 1.015 73 L CA -0.583 54.090 54.840 -0.278 0.000 0.831 73 L CB 1.302 43.296 42.059 -0.108 0.000 1.217 73 L HN 0.584 nan 8.230 nan 0.000 0.420 74 L N 5.811 126.998 121.223 -0.059 0.000 2.397 74 L HA 0.362 4.702 4.340 0.000 0.000 0.271 74 L C -0.496 176.407 176.870 0.055 0.000 1.148 74 L CA -0.253 54.586 54.840 -0.002 0.000 0.825 74 L CB 0.752 42.805 42.059 -0.009 0.000 1.117 74 L HN 0.536 nan 8.230 nan 0.000 0.456 75 L N 4.375 125.634 121.223 0.059 0.000 2.333 75 L HA 0.532 4.872 4.340 0.000 0.000 0.280 75 L C -0.763 176.150 176.870 0.073 0.000 1.004 75 L CA -0.580 54.323 54.840 0.106 0.000 0.820 75 L CB 1.760 43.875 42.059 0.094 0.000 1.247 75 L HN 0.367 nan 8.230 nan 0.000 0.416 76 L N 2.763 124.034 121.223 0.080 0.000 2.301 76 L HA 0.590 4.930 4.340 0.000 0.000 0.264 76 L C -0.461 176.444 176.870 0.058 0.000 1.016 76 L CA -0.323 54.536 54.840 0.031 0.000 0.821 76 L CB 1.900 43.936 42.059 -0.038 0.000 1.346 76 L HN 0.515 nan 8.230 nan 0.000 0.429 77 Q N 0.163 119.985 119.800 0.037 0.000 2.269 77 Q HA 0.631 4.971 4.340 0.000 0.000 0.263 77 Q C -0.716 175.304 176.000 0.033 0.000 0.983 77 Q CA -0.077 55.758 55.803 0.055 0.000 0.777 77 Q CB 1.904 30.682 28.738 0.066 0.000 1.273 77 Q HN 0.892 nan 8.270 nan 0.000 0.440 78 G N 2.301 111.120 108.800 0.033 0.000 2.350 78 G HA2 -0.071 3.889 3.960 0.000 0.000 0.282 78 G HA3 -0.071 3.889 3.960 0.000 0.000 0.282 78 G C -1.735 173.180 174.900 0.025 0.000 1.314 78 G CA -0.822 44.296 45.100 0.031 0.000 0.915 78 G HN 0.534 nan 8.290 nan 0.000 0.499 79 D N 1.635 122.059 120.400 0.041 0.000 2.346 79 D HA 0.332 4.972 4.640 0.000 0.000 0.260 79 D C -0.353 175.909 176.300 -0.062 0.000 1.252 79 D CA -1.609 52.411 54.000 0.033 0.000 0.895 79 D CB 1.540 42.407 40.800 0.113 0.000 1.097 79 D HN 0.066 nan 8.370 nan 0.000 0.489 80 P HA -0.209 nan 4.420 nan 0.000 0.218 80 P C 1.342 178.421 177.300 -0.367 0.000 1.148 80 P CA 0.909 63.825 63.100 -0.307 0.000 0.822 80 P CB 0.305 31.808 31.700 -0.328 0.000 0.784 81 Q N -1.024 118.577 119.800 -0.332 0.000 2.197 81 Q HA -0.209 4.131 4.340 0.000 0.000 0.207 81 Q C 1.886 177.589 176.000 -0.493 0.000 0.984 81 Q CA 1.412 56.954 55.803 -0.436 0.000 0.869 81 Q CB -0.130 28.297 28.738 -0.518 0.000 0.906 81 Q HN 0.440 nan 8.270 nan 0.000 0.426 82 H N -1.117 117.881 119.070 -0.121 0.000 2.460 82 H HA 0.087 4.643 4.556 0.000 0.000 0.297 82 H C 2.109 177.362 175.328 -0.124 0.000 1.023 82 H CA 0.496 56.484 56.048 -0.100 0.000 1.321 82 H CB 0.109 29.831 29.762 -0.067 0.000 1.455 82 H HN 0.216 nan 8.280 nan 0.000 0.539 83 L N 0.654 121.847 121.223 -0.048 0.000 2.056 83 L HA -0.120 4.220 4.340 0.000 0.000 0.207 83 L C 2.373 179.130 176.870 -0.189 0.000 1.078 83 L CA 0.689 55.468 54.840 -0.103 0.000 0.749 83 L CB -0.246 41.746 42.059 -0.112 0.000 0.901 83 L HN 0.148 nan 8.230 nan 0.000 0.433 84 I N 0.187 120.562 120.570 -0.325 0.000 2.142 84 I HA -0.161 4.009 4.170 0.000 0.000 0.240 84 I C 0.024 175.996 176.117 -0.242 0.000 1.078 84 I CA 1.772 62.826 61.300 -0.410 0.000 1.343 84 I CB -2.504 35.051 38.000 -0.742 0.000 1.046 84 I HN 0.159 nan 8.210 nan 0.000 0.405 85 P HA -0.180 nan 4.420 nan 0.000 0.217 85 P C 1.796 179.057 177.300 -0.066 0.000 1.150 85 P CA 1.350 64.390 63.100 -0.100 0.000 0.832 85 P CB 0.007 31.660 31.700 -0.077 0.000 0.787 86 Q N -0.380 119.383 119.800 -0.062 0.000 2.050 86 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 86 Q C 1.965 177.937 176.000 -0.046 0.000 0.980 86 Q CA 1.431 57.210 55.803 -0.040 0.000 0.840 86 Q CB -1.258 27.461 28.738 -0.031 0.000 0.898 86 Q HN 0.078 nan 8.270 nan 0.000 0.424 87 L N 0.125 121.305 121.223 -0.071 0.000 2.017 87 L HA -0.023 4.317 4.340 0.000 0.000 0.208 87 L C 2.140 178.984 176.870 -0.044 0.000 1.073 87 L CA 2.299 57.101 54.840 -0.063 0.000 0.745 87 L CB -1.122 40.880 42.059 -0.094 0.000 0.894 87 L HN 0.269 nan 8.230 nan 0.000 0.432 88 A N -1.136 121.654 122.820 -0.050 0.000 1.933 88 A HA -0.253 4.067 4.320 0.000 0.000 0.218 88 A C 2.174 179.754 177.584 -0.007 0.000 1.175 88 A CA 1.897 53.923 52.037 -0.019 0.000 0.628 88 A CB -0.543 18.450 19.000 -0.013 0.000 0.814 88 A HN 0.690 nan 8.150 nan 0.000 0.444 89 Q N -0.741 119.050 119.800 -0.014 0.000 2.016 89 Q HA -0.185 4.155 4.340 0.000 0.000 0.200 89 Q C 2.256 178.253 176.000 -0.005 0.000 0.978 89 Q CA 1.527 57.327 55.803 -0.006 0.000 0.833 89 Q CB -0.255 28.478 28.738 -0.009 0.000 0.895 89 Q HN 0.753 nan 8.270 nan 0.000 0.427 90 Q N 0.065 119.859 119.800 -0.010 0.000 2.291 90 Q HA -0.137 4.203 4.340 0.000 0.000 0.206 90 Q C 1.630 177.628 176.000 -0.003 0.000 0.976 90 Q CA 0.687 56.486 55.803 -0.007 0.000 0.875 90 Q CB 0.060 28.792 28.738 -0.011 0.000 0.927 90 Q HN 0.192 nan 8.270 nan 0.000 0.450 91 L N 0.085 121.307 121.223 -0.002 0.000 2.554 91 L HA 0.056 4.396 4.340 0.000 0.000 0.225 91 L C 0.166 177.043 176.870 0.011 0.000 1.104 91 L CA 0.963 55.806 54.840 0.005 0.000 0.866 91 L CB 0.226 42.288 42.059 0.005 0.000 1.047 91 L HN 0.133 nan 8.230 nan 0.000 0.468 92 Q N -0.399 119.407 119.800 0.010 0.000 2.475 92 Q HA -0.217 4.123 4.340 0.000 0.000 0.280 92 Q C 0.496 176.510 176.000 0.023 0.000 1.234 92 Q CA 0.402 56.213 55.803 0.014 0.000 0.873 92 Q CB -2.081 26.665 28.738 0.013 0.000 1.256 92 Q HN 0.579 nan 8.270 nan 0.000 0.475 93 A N 0.644 123.481 122.820 0.027 0.000 2.483 93 A HA 0.035 4.355 4.320 0.000 0.000 0.238 93 A C 1.180 178.795 177.584 0.051 0.000 1.070 93 A CA 0.439 52.502 52.037 0.044 0.000 0.770 93 A CB 0.469 19.500 19.000 0.052 0.000 1.008 93 A HN 0.397 nan 8.150 nan 0.000 0.497 94 E N 0.459 120.697 120.200 0.063 0.000 2.230 94 E HA 0.216 4.566 4.350 0.000 0.000 0.192 94 E C 0.420 177.073 176.600 0.090 0.000 0.987 94 E CA 1.244 57.684 56.400 0.066 0.000 0.841 94 E CB 0.171 29.910 29.700 0.065 0.000 0.783 94 E HN 0.867 nan 8.360 nan 0.000 0.481 95 A N -0.466 122.431 122.820 0.129 0.000 2.601 95 A HA 0.535 4.855 4.320 0.000 0.000 0.291 95 A C -1.566 176.159 177.584 0.235 0.000 1.075 95 A CA -0.573 51.570 52.037 0.175 0.000 0.671 95 A CB 1.714 20.882 19.000 0.281 0.000 1.277 95 A HN -0.077 nan 8.150 nan 0.000 0.417 96 V N 1.272 121.326 119.914 0.234 0.000 2.525 96 V HA 0.531 4.651 4.120 0.000 0.000 0.299 96 V C -1.455 174.822 176.094 0.304 0.000 1.034 96 V CA -0.416 62.071 62.300 0.313 0.000 0.863 96 V CB 1.158 33.172 31.823 0.320 0.000 0.999 96 V HN 0.755 nan 8.190 nan 0.000 0.423 97 Y N 3.776 124.150 120.300 0.123 0.000 2.457 97 Y HA 0.822 5.372 4.550 0.000 0.000 0.333 97 Y C -0.084 175.747 175.900 -0.115 0.000 1.119 97 Y CA -0.939 57.167 58.100 0.011 0.000 1.143 97 Y CB 1.970 40.559 38.460 0.215 0.000 1.230 97 Y HN 0.840 nan 8.280 nan 0.000 0.469 98 W N 0.767 121.939 121.300 -0.213 0.000 3.057 98 W HA 0.519 5.179 4.660 0.000 0.000 0.328 98 W C -2.232 174.159 176.519 -0.213 0.000 1.232 98 W CA -1.019 56.019 57.345 -0.512 0.000 1.187 98 W CB 0.639 29.806 29.460 -0.489 0.000 1.417 98 W HN 0.235 nan 8.180 nan 0.000 0.569 99 N N 2.365 121.146 118.700 0.135 0.000 2.456 99 N HA 0.218 4.958 4.740 0.000 0.000 0.288 99 N C -0.385 175.103 175.510 -0.037 0.000 1.059 99 N CA -0.649 52.426 53.050 0.043 0.000 0.946 99 N CB 1.537 40.115 38.487 0.152 0.000 1.150 99 N HN 0.528 nan 8.380 nan 0.000 0.479 100 Q N 0.531 120.122 119.800 -0.349 0.000 2.474 100 Q HA 0.069 4.409 4.340 0.000 0.000 0.256 100 Q C -0.506 175.275 176.000 -0.364 0.000 1.048 100 Q CA 0.406 55.886 55.803 -0.537 0.000 0.922 100 Q CB 0.677 28.581 28.738 -1.390 0.000 1.288 100 Q HN 0.519 nan 8.270 nan 0.000 0.484 101 D N -0.124 120.166 120.400 -0.183 0.000 2.585 101 D HA 0.252 4.892 4.640 0.000 0.000 0.254 101 D C -0.023 176.422 176.300 0.242 0.000 1.067 101 D CA -0.696 53.337 54.000 0.056 0.000 1.090 101 D CB 1.046 41.856 40.800 0.017 0.000 1.408 101 D HN 0.438 nan 8.370 nan 0.000 0.554 102 I N -1.772 118.982 120.570 0.307 0.000 4.139 102 I HA 0.346 4.516 4.170 0.000 0.000 0.335 102 I C -0.227 176.032 176.117 0.238 0.000 1.327 102 I CA 0.098 61.631 61.300 0.389 0.000 1.112 102 I CB -0.789 37.428 38.000 0.362 0.000 1.058 102 I HN 0.222 nan 8.210 nan 0.000 0.396 103 E N 2.898 123.198 120.200 0.166 0.000 2.354 103 E HA 0.174 4.524 4.350 0.000 0.000 0.269 103 E C -1.728 174.938 176.600 0.110 0.000 1.036 103 E CA -1.539 54.942 56.400 0.135 0.000 0.876 103 E CB 0.802 30.581 29.700 0.130 0.000 1.009 103 E HN 0.059 nan 8.360 nan 0.000 0.416 104 P HA -0.235 nan 4.420 nan 0.000 0.215 104 P C 1.055 178.403 177.300 0.080 0.000 1.157 104 P CA 1.277 64.426 63.100 0.081 0.000 0.874 104 P CB -0.010 31.747 31.700 0.096 0.000 0.790 105 Y N 0.491 120.805 120.300 0.023 0.000 2.114 105 Y HA -0.142 4.408 4.550 0.000 0.000 0.284 105 Y C 2.484 178.384 175.900 0.000 0.000 1.143 105 Y CA 2.205 60.312 58.100 0.012 0.000 1.135 105 Y CB -1.227 37.241 38.460 0.013 0.000 0.980 105 Y HN -0.134 nan 8.280 nan 0.000 0.499 106 G N 0.244 109.000 108.800 -0.073 0.000 2.440 106 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 106 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 106 G C 1.782 176.568 174.900 -0.190 0.000 1.154 106 G CA 1.004 45.994 45.100 -0.184 0.000 0.767 106 G HN 0.393 nan 8.290 nan 0.000 0.552 107 R N -0.048 120.402 120.500 -0.084 0.000 2.092 107 R HA -0.036 4.304 4.340 0.000 0.000 0.231 107 R C 2.255 178.507 176.300 -0.079 0.000 1.119 107 R CA 1.247 57.320 56.100 -0.045 0.000 0.970 107 R CB -0.354 29.952 30.300 0.010 0.000 0.864 107 R HN 0.364 nan 8.270 nan 0.000 0.440 108 D N 0.842 121.169 120.400 -0.122 0.000 2.084 108 D HA -0.195 4.446 4.640 0.000 0.000 0.194 108 D C 1.959 178.152 176.300 -0.177 0.000 0.990 108 D CA 1.325 55.250 54.000 -0.124 0.000 0.826 108 D CB -0.056 40.674 40.800 -0.117 0.000 0.971 108 D HN 0.032 nan 8.370 nan 0.000 0.453 109 R N 0.187 120.483 120.500 -0.340 0.000 2.096 109 R HA -0.185 4.155 4.340 0.000 0.000 0.240 109 R C 1.467 177.667 176.300 -0.166 0.000 1.139 109 R CA 2.106 58.003 56.100 -0.337 0.000 0.952 109 R CB -0.401 29.563 30.300 -0.561 0.000 0.854 109 R HN 0.171 nan 8.270 nan 0.000 0.436 110 D N -0.527 119.796 120.400 -0.129 0.000 2.144 110 D HA -0.100 4.540 4.640 0.000 0.000 0.199 110 D C 1.768 178.149 176.300 0.136 0.000 0.984 110 D CA 1.537 55.552 54.000 0.026 0.000 0.834 110 D CB -0.626 40.256 40.800 0.136 0.000 0.955 110 D HN 0.547 nan 8.370 nan 0.000 0.465 111 G N 0.578 109.406 108.800 0.048 0.000 2.440 111 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 111 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 111 G C 1.586 176.502 174.900 0.026 0.000 1.154 111 G CA 0.546 45.672 45.100 0.045 0.000 0.767 111 G HN 0.151 nan 8.290 nan 0.000 0.552 112 Q N 0.219 120.004 119.800 -0.025 0.000 2.079 112 Q HA -0.029 4.311 4.340 0.000 0.000 0.200 112 Q C 3.010 178.979 176.000 -0.052 0.000 0.974 112 Q CA 0.977 56.748 55.803 -0.055 0.000 0.840 112 Q CB -0.932 27.741 28.738 -0.109 0.000 0.898 112 Q HN 0.402 nan 8.270 nan 0.000 0.430 113 V N 1.320 121.201 119.914 -0.056 0.000 2.295 113 V HA -0.249 3.871 4.120 0.000 0.000 0.246 113 V C 2.401 178.551 176.094 0.093 0.000 1.049 113 V CA 1.798 64.055 62.300 -0.072 0.000 1.024 113 V CB -1.206 30.487 31.823 -0.218 0.000 0.648 113 V HN 0.329 nan 8.190 nan 0.000 0.447 114 A N 0.067 123.041 122.820 0.256 0.000 1.908 114 A HA -0.157 4.163 4.320 0.000 0.000 0.218 114 A C 2.435 180.077 177.584 0.097 0.000 1.181 114 A CA 2.292 54.486 52.037 0.263 0.000 0.627 114 A CB -0.856 18.281 19.000 0.228 0.000 0.818 114 A HN 0.583 nan 8.150 nan 0.000 0.445 115 A N -0.176 122.679 122.820 0.057 0.000 1.877 115 A HA 0.145 4.465 4.320 0.000 0.000 0.216 115 A C 2.531 180.123 177.584 0.013 0.000 1.186 115 A CA 2.215 54.265 52.037 0.022 0.000 0.620 115 A CB -1.097 17.909 19.000 0.009 0.000 0.822 115 A HN 1.119 nan 8.150 nan 0.000 0.443 116 A N -0.358 122.463 122.820 0.002 0.000 1.933 116 A HA -0.052 4.268 4.320 0.000 0.000 0.218 116 A C 2.189 179.774 177.584 0.002 0.000 1.175 116 A CA 1.547 53.579 52.037 -0.009 0.000 0.628 116 A CB -0.585 18.390 19.000 -0.041 0.000 0.814 116 A HN 0.482 nan 8.150 nan 0.000 0.444 117 L N -0.880 120.355 121.223 0.020 0.000 2.027 117 L HA -0.170 4.170 4.340 0.000 0.000 0.206 117 L C 2.634 179.515 176.870 0.019 0.000 1.074 117 L CA 1.864 56.721 54.840 0.028 0.000 0.745 117 L CB -0.432 41.670 42.059 0.073 0.000 0.898 117 L HN 0.437 nan 8.230 nan 0.000 0.433 118 K N -0.236 120.174 120.400 0.016 0.000 2.103 118 K HA -0.177 4.143 4.320 0.000 0.000 0.207 118 K C 1.961 178.563 176.600 0.003 0.000 1.048 118 K CA 1.840 58.129 56.287 0.003 0.000 0.930 118 K CB -0.029 32.470 32.500 -0.002 0.000 0.716 118 K HN 0.205 nan 8.250 nan 0.000 0.444 119 T N 0.288 114.845 114.554 0.004 0.000 2.833 119 T HA -0.072 4.278 4.350 0.000 0.000 0.269 119 T C 1.548 176.250 174.700 0.004 0.000 1.054 119 T CA 1.204 63.306 62.100 0.003 0.000 1.135 119 T CB -0.099 68.771 68.868 0.004 0.000 0.869 119 T HN 0.367 nan 8.240 nan 0.000 0.466 120 A N 0.303 123.126 122.820 0.005 0.000 2.238 120 A HA 0.523 4.843 4.320 0.000 0.000 0.208 120 A C 1.824 179.412 177.584 0.006 0.000 1.177 120 A CA 0.670 52.710 52.037 0.005 0.000 0.804 120 A CB -0.697 18.305 19.000 0.003 0.000 0.823 120 A HN 0.673 nan 8.150 nan 0.000 0.482 121 G N -0.759 108.045 108.800 0.006 0.000 2.147 121 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 121 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 121 G C -0.027 174.879 174.900 0.010 0.000 1.005 121 G CA 0.414 45.517 45.100 0.006 0.000 0.713 121 G HN 0.496 nan 8.290 nan 0.000 0.515 122 I N -0.004 120.573 120.570 0.012 0.000 2.378 122 I HA 0.386 4.556 4.170 0.000 0.000 0.291 122 I C 0.870 176.995 176.117 0.013 0.000 0.992 122 I CA -1.069 60.244 61.300 0.021 0.000 1.154 122 I CB 1.563 39.581 38.000 0.029 0.000 1.315 122 I HN 0.094 nan 8.210 nan 0.000 0.448 123 R N 4.434 124.939 120.500 0.008 0.000 2.489 123 R HA 0.495 4.836 4.340 0.000 0.000 0.287 123 R C -0.550 175.707 176.300 -0.073 0.000 1.053 123 R CA -0.075 56.004 56.100 -0.035 0.000 1.036 123 R CB 0.691 30.975 30.300 -0.026 0.000 0.966 123 R HN 0.774 nan 8.270 nan 0.000 0.432 124 A N 4.550 127.273 122.820 -0.161 0.000 2.311 124 A HA 0.449 4.769 4.320 0.000 0.000 0.306 124 A C -1.134 176.113 177.584 -0.561 0.000 1.189 124 A CA -0.679 51.180 52.037 -0.298 0.000 0.791 124 A CB 1.369 20.269 19.000 -0.166 0.000 1.172 124 A HN 0.488 nan 8.150 nan 0.000 0.481 125 V N 3.406 122.829 119.914 -0.818 0.000 2.384 125 V HA 0.382 4.502 4.120 0.000 0.000 0.287 125 V C -0.274 175.228 176.094 -0.987 0.000 1.020 125 V CA -0.350 61.412 62.300 -0.896 0.000 0.850 125 V CB 1.223 32.266 31.823 -1.301 0.000 0.987 125 V HN 0.925 nan 8.190 nan 0.000 0.436 126 Q N 5.420 124.715 119.800 -0.841 0.000 2.357 126 Q HA 0.666 5.006 4.340 0.000 0.000 0.266 126 Q C -1.179 174.507 176.000 -0.524 0.000 1.021 126 Q CA -0.340 54.944 55.803 -0.865 0.000 0.784 126 Q CB 2.378 30.610 28.738 -0.844 0.000 1.243 126 Q HN 0.629 nan 8.270 nan 0.000 0.465 127 L N 0.840 121.835 121.223 -0.381 0.000 2.313 127 L HA 0.554 4.894 4.340 0.000 0.000 0.268 127 L C -0.669 176.045 176.870 -0.258 0.000 1.010 127 L CA -1.032 53.673 54.840 -0.225 0.000 0.814 127 L CB 1.382 43.419 42.059 -0.037 0.000 1.304 127 L HN 0.546 nan 8.230 nan 0.000 0.441 128 W N 0.728 122.016 121.300 -0.020 0.000 2.316 128 W HA 0.221 4.881 4.660 0.000 0.000 0.311 128 W C 0.475 177.006 176.519 0.019 0.000 1.217 128 W CA 0.163 57.501 57.345 -0.011 0.000 1.199 128 W CB 1.311 30.744 29.460 -0.046 0.000 1.202 128 W HN 0.600 nan 8.180 nan 0.000 0.528 129 D N -0.039 120.549 120.400 0.314 0.000 2.212 129 D HA -0.152 4.488 4.640 0.000 0.000 0.311 129 D C 1.727 178.156 176.300 0.215 0.000 1.091 129 D CA 0.212 54.343 54.000 0.218 0.000 0.910 129 D CB 0.196 41.105 40.800 0.182 0.000 1.707 129 D HN 0.503 nan 8.370 nan 0.000 0.522 130 Q N 0.540 120.496 119.800 0.260 0.000 2.482 130 Q HA 0.113 4.453 4.340 0.000 0.000 0.209 130 Q C -0.069 176.057 176.000 0.211 0.000 0.961 130 Q CA 0.495 56.433 55.803 0.225 0.000 0.945 130 Q CB 0.316 29.189 28.738 0.224 0.000 1.012 130 Q HN 0.306 nan 8.270 nan 0.000 0.515 131 L N 0.401 121.749 121.223 0.208 0.000 2.370 131 L HA 0.311 4.651 4.340 0.000 0.000 0.266 131 L C 0.714 177.612 176.870 0.046 0.000 1.002 131 L CA -0.768 54.171 54.840 0.166 0.000 0.818 131 L CB 1.825 43.989 42.059 0.175 0.000 1.325 131 L HN -0.006 nan 8.230 nan 0.000 0.418 132 L N 0.975 122.182 121.223 -0.028 0.000 2.141 132 L HA 0.006 4.346 4.340 0.000 0.000 0.209 132 L C 0.133 176.526 176.870 -0.795 0.000 1.094 132 L CA 0.945 55.522 54.840 -0.437 0.000 0.763 132 L CB -0.184 41.488 42.059 -0.645 0.000 0.908 132 L HN 0.525 nan 8.230 nan 0.000 0.437 133 H N -1.216 117.827 119.070 -0.044 0.000 2.782 133 H HA 0.266 4.822 4.556 0.000 0.000 0.347 133 H C -0.292 175.007 175.328 -0.049 0.000 1.038 133 H CA -0.882 55.106 56.048 -0.101 0.000 1.255 133 H CB 1.638 31.287 29.762 -0.189 0.000 1.623 133 H HN -0.024 nan 8.280 nan 0.000 0.525 134 S N 2.693 118.253 115.700 -0.234 0.000 2.584 134 S HA 0.100 4.570 4.470 0.000 0.000 0.270 134 S C -1.693 172.392 174.600 -0.858 0.000 1.346 134 S CA -0.920 56.782 58.200 -0.829 0.000 1.018 134 S CB 1.538 64.034 63.200 -1.173 0.000 0.899 134 S HN 0.290 nan 8.310 nan 0.000 0.542 135 P HA -0.122 nan 4.420 nan 0.000 0.216 135 P C 0.572 177.607 177.300 -0.441 0.000 1.154 135 P CA 1.366 63.664 63.100 -1.337 0.000 0.865 135 P CB -0.045 30.625 31.700 -1.716 0.000 0.789 136 D N -1.533 118.648 120.400 -0.365 0.000 2.363 136 D HA -0.085 4.555 4.640 0.000 0.000 0.226 136 D C 1.763 178.010 176.300 -0.088 0.000 1.020 136 D CA 0.542 54.490 54.000 -0.086 0.000 0.892 136 D CB -0.152 40.627 40.800 -0.035 0.000 0.900 136 D HN 0.360 nan 8.370 nan 0.000 0.531 137 Q N 0.105 119.821 119.800 -0.139 0.000 2.402 137 Q HA 0.019 4.359 4.340 0.000 0.000 0.206 137 Q C -0.022 175.940 176.000 -0.064 0.000 0.919 137 Q CA 0.432 56.177 55.803 -0.097 0.000 0.923 137 Q CB 0.570 29.247 28.738 -0.101 0.000 1.048 137 Q HN 0.021 nan 8.270 nan 0.000 0.515 138 I N 2.649 123.239 120.570 0.034 0.000 2.428 138 I HA 0.362 4.532 4.170 0.000 0.000 0.279 138 I C -0.851 175.390 176.117 0.207 0.000 1.040 138 I CA -0.226 61.139 61.300 0.108 0.000 1.171 138 I CB 0.890 39.006 38.000 0.193 0.000 1.312 138 I HN 0.133 nan 8.210 nan 0.000 0.470 139 L N 3.810 125.087 121.223 0.090 0.000 2.350 139 L HA 0.532 4.872 4.340 0.000 0.000 0.260 139 L C 0.710 177.433 176.870 -0.246 0.000 1.015 139 L CA -0.707 54.075 54.840 -0.097 0.000 0.821 139 L CB 2.429 44.418 42.059 -0.116 0.000 1.370 139 L HN 0.557 nan 8.230 nan 0.000 0.416 140 S N -0.094 115.217 115.700 -0.649 0.000 2.626 140 S HA 0.179 4.649 4.470 0.000 0.000 0.257 140 S C 1.262 175.747 174.600 -0.192 0.000 1.288 140 S CA 0.028 57.900 58.200 -0.545 0.000 0.980 140 S CB 1.051 63.876 63.200 -0.625 0.000 0.975 140 S HN 0.826 nan 8.310 nan 0.000 0.577 141 G N 0.618 109.362 108.800 -0.094 0.000 2.475 141 G HA2 -0.213 3.747 3.960 0.000 0.000 0.220 141 G HA3 -0.213 3.747 3.960 0.000 0.000 0.220 141 G C 1.448 176.310 174.900 -0.064 0.000 1.125 141 G CA 1.015 46.083 45.100 -0.054 0.000 0.755 141 G HN 1.132 nan 8.290 nan 0.000 0.565 142 S N -0.492 115.160 115.700 -0.082 0.000 2.603 142 S HA 0.363 4.833 4.470 0.000 0.000 0.220 142 S C 1.758 176.311 174.600 -0.078 0.000 0.967 142 S CA 0.884 59.044 58.200 -0.066 0.000 0.920 142 S CB -0.116 63.051 63.200 -0.055 0.000 0.773 142 S HN 1.567 nan 8.310 nan 0.000 0.529 143 G N 1.294 110.030 108.800 -0.106 0.000 2.147 143 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 143 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 143 G C -0.245 174.578 174.900 -0.130 0.000 1.005 143 G CA 0.010 45.048 45.100 -0.103 0.000 0.713 143 G HN 0.561 nan 8.290 nan 0.000 0.515 144 N N 0.574 119.168 118.700 -0.177 0.000 2.402 144 N HA 0.575 5.315 4.740 0.000 0.000 0.294 144 N C -2.646 172.690 175.510 -0.291 0.000 1.203 144 N CA -1.410 51.528 53.050 -0.188 0.000 0.838 144 N CB 2.300 40.724 38.487 -0.104 0.000 1.306 144 N HN 0.086 nan 8.380 nan 0.000 0.510 145 P HA 0.100 nan 4.420 nan 0.000 0.272 145 P C -0.842 176.441 177.300 -0.029 0.000 1.223 145 P CA 0.202 63.136 63.100 -0.277 0.000 0.784 145 P CB 0.420 31.771 31.700 -0.580 0.000 0.923 146 Y N 0.161 120.600 120.300 0.232 0.000 2.299 146 Y HA 0.145 4.695 4.550 0.000 0.000 0.326 146 Y C 1.894 177.981 175.900 0.312 0.000 1.164 146 Y CA 0.587 58.870 58.100 0.304 0.000 1.234 146 Y CB 0.955 39.703 38.460 0.480 0.000 1.219 146 Y HN 0.383 nan 8.280 nan 0.000 0.497 147 S N -0.652 115.308 115.700 0.434 0.000 2.578 147 S HA 0.293 4.763 4.470 0.000 0.000 0.228 147 S C -0.344 174.513 174.600 0.428 0.000 1.022 147 S CA -0.237 58.155 58.200 0.319 0.000 0.967 147 S CB -0.090 63.173 63.200 0.106 0.000 0.914 147 S HN 0.232 nan 8.310 nan 0.000 0.515 148 V N 2.590 122.747 119.914 0.405 0.000 2.495 148 V HA 0.402 4.522 4.120 0.000 0.000 0.298 148 V C 0.567 176.635 176.094 -0.042 0.000 1.031 148 V CA -0.876 61.546 62.300 0.202 0.000 0.871 148 V CB 1.212 33.131 31.823 0.159 0.000 0.988 148 V HN 0.364 nan 8.190 nan 0.000 0.432 149 Y N 4.581 124.502 120.300 -0.632 0.000 2.114 149 Y HA -0.082 4.468 4.550 0.000 0.000 0.284 149 Y C 2.095 177.684 175.900 -0.519 0.000 1.143 149 Y CA 2.322 59.726 58.100 -1.160 0.000 1.135 149 Y CB -0.545 36.923 38.460 -1.653 0.000 0.980 149 Y HN 0.723 nan 8.280 nan 0.000 0.499 150 G N 0.572 109.188 108.800 -0.308 0.000 2.631 150 G HA2 -0.315 3.646 3.960 0.000 0.000 0.219 150 G HA3 -0.315 3.646 3.960 0.000 0.000 0.219 150 G C -0.472 174.286 174.900 -0.236 0.000 1.214 150 G CA 1.401 46.376 45.100 -0.210 0.000 0.785 150 G HN 0.387 nan 8.290 nan 0.000 0.596 151 P HA -0.076 nan 4.420 nan 0.000 0.216 151 P C 1.630 178.536 177.300 -0.655 0.000 1.150 151 P CA 0.788 63.751 63.100 -0.229 0.000 0.837 151 P CB -0.142 31.577 31.700 0.032 0.000 0.786 152 F N -0.552 118.808 119.950 -0.984 0.000 2.102 152 F HA -0.177 4.350 4.527 0.000 0.000 0.298 152 F C 2.254 177.647 175.800 -0.679 0.000 1.105 152 F CA 1.362 58.697 58.000 -1.109 0.000 1.239 152 F CB -0.880 37.781 39.000 -0.565 0.000 0.991 152 F HN -0.014 nan 8.300 nan 0.000 0.474 153 W N 2.019 122.885 121.300 -0.724 0.000 2.358 153 W HA -0.231 4.429 4.660 0.000 0.000 0.303 153 W C 2.062 178.358 176.519 -0.372 0.000 1.208 153 W CA 1.855 58.813 57.345 -0.646 0.000 1.274 153 W CB -0.538 28.342 29.460 -0.966 0.000 1.138 153 W HN 0.060 nan 8.180 nan 0.000 0.515 154 K N 0.136 120.226 120.400 -0.517 0.000 2.063 154 K HA -0.267 4.053 4.320 0.000 0.000 0.208 154 K C 2.006 178.314 176.600 -0.487 0.000 1.048 154 K CA 1.801 57.797 56.287 -0.486 0.000 0.928 154 K CB -0.533 31.819 32.500 -0.245 0.000 0.713 154 K HN 0.093 nan 8.250 nan 0.000 0.442 155 N N 0.370 118.787 118.700 -0.472 0.000 2.062 155 N HA -0.192 4.548 4.740 0.000 0.000 0.191 155 N C 1.654 176.865 175.510 -0.497 0.000 1.042 155 N CA 1.382 54.185 53.050 -0.410 0.000 0.845 155 N CB -0.451 37.820 38.487 -0.359 0.000 1.024 155 N HN 0.267 nan 8.380 nan 0.000 0.424 156 W N 1.998 122.797 121.300 -0.835 0.000 2.318 156 W HA -0.290 4.370 4.660 0.000 0.000 0.313 156 W C 2.582 178.666 176.519 -0.724 0.000 1.221 156 W CA 3.105 59.959 57.345 -0.819 0.000 1.266 156 W CB -0.416 28.540 29.460 -0.840 0.000 1.150 156 W HN 0.386 nan 8.180 nan 0.000 0.496 157 Q N -0.107 119.357 119.800 -0.559 0.000 2.224 157 Q HA -0.055 4.285 4.340 0.000 0.000 0.203 157 Q C 1.848 177.538 176.000 -0.516 0.000 0.970 157 Q CA 2.179 57.581 55.803 -0.669 0.000 0.865 157 Q CB -1.313 26.661 28.738 -1.272 0.000 0.922 157 Q HN 0.199 nan 8.270 nan 0.000 0.445 158 A N 0.162 122.689 122.820 -0.488 0.000 2.067 158 A HA -0.005 4.315 4.320 0.000 0.000 0.217 158 A C 0.805 178.170 177.584 -0.366 0.000 1.156 158 A CA 0.107 51.931 52.037 -0.356 0.000 0.683 158 A CB -0.124 18.697 19.000 -0.298 0.000 0.808 158 A HN 0.307 nan 8.150 nan 0.000 0.455 159 Q N 1.030 120.516 119.800 -0.523 0.000 2.364 159 Q HA 0.187 4.527 4.340 0.000 0.000 0.267 159 Q C -2.389 173.373 176.000 -0.397 0.000 0.999 159 Q CA -1.720 53.753 55.803 -0.550 0.000 0.886 159 Q CB 0.135 28.248 28.738 -1.040 0.000 1.243 159 Q HN 0.327 nan 8.270 nan 0.000 0.415 160 P HA 0.035 nan 4.420 nan 0.000 0.268 160 P C -0.514 176.692 177.300 -0.157 0.000 1.204 160 P CA 0.001 63.001 63.100 -0.167 0.000 0.768 160 P CB 0.677 32.306 31.700 -0.118 0.000 0.842 161 K N 4.548 124.823 120.400 -0.208 0.000 2.258 161 K HA 0.313 4.633 4.320 0.000 0.000 0.284 161 K C -1.726 174.748 176.600 -0.210 0.000 1.051 161 K CA -1.643 54.439 56.287 -0.343 0.000 0.923 161 K CB 0.216 32.423 32.500 -0.487 0.000 1.046 161 K HN 0.455 nan 8.250 nan 0.000 0.474 162 P HA 0.040 nan 4.420 nan 0.000 0.271 162 P C -0.283 176.981 177.300 -0.060 0.000 1.218 162 P CA -0.203 62.817 63.100 -0.133 0.000 0.780 162 P CB 0.447 32.055 31.700 -0.154 0.000 0.901 163 T N -0.632 113.915 114.554 -0.012 0.000 2.934 163 T HA 0.470 4.820 4.350 0.000 0.000 0.283 163 T C -2.553 172.167 174.700 0.033 0.000 1.005 163 T CA -2.367 59.753 62.100 0.032 0.000 1.041 163 T CB 0.238 69.126 68.868 0.033 0.000 1.042 163 T HN 0.167 nan 8.240 nan 0.000 0.505 164 P HA 0.211 nan 4.420 nan 0.000 0.266 164 P C -0.021 177.297 177.300 0.030 0.000 1.195 164 P CA -0.502 62.628 63.100 0.050 0.000 0.768 164 P CB 0.276 32.013 31.700 0.062 0.000 0.838 165 V N 0.086 120.014 119.914 0.023 0.000 3.109 165 V HA 0.789 4.909 4.120 0.000 0.000 0.317 165 V C 0.168 176.262 176.094 0.001 0.000 1.074 165 V CA -1.300 61.006 62.300 0.010 0.000 1.033 165 V CB 0.844 32.671 31.823 0.006 0.000 1.111 165 V HN 0.602 nan 8.190 nan 0.000 0.458 166 A N 1.370 124.184 122.820 -0.009 0.000 2.407 166 A HA 0.529 4.849 4.320 0.000 0.000 0.248 166 A C 0.587 178.151 177.584 -0.034 0.000 1.082 166 A CA -0.012 52.014 52.037 -0.017 0.000 0.785 166 A CB -0.369 18.620 19.000 -0.018 0.000 1.020 166 A HN 1.022 nan 8.150 nan 0.000 0.489 167 T N 4.912 119.444 114.554 -0.037 0.000 2.832 167 T HA 0.435 4.785 4.350 0.000 0.000 0.296 167 T C -2.148 172.513 174.700 -0.065 0.000 0.968 167 T CA -0.434 61.632 62.100 -0.057 0.000 1.107 167 T CB 0.519 69.356 68.868 -0.052 0.000 0.916 167 T HN 0.607 nan 8.240 nan 0.000 0.517 168 P HA 0.225 nan 4.420 nan 0.000 0.271 168 P C -0.371 176.888 177.300 -0.068 0.000 1.216 168 P CA -0.284 62.769 63.100 -0.078 0.000 0.771 168 P CB 0.619 32.262 31.700 -0.095 0.000 0.864 169 T N -2.332 112.196 114.554 -0.043 0.000 2.838 169 T HA 0.343 4.693 4.350 0.000 0.000 0.292 169 T C -0.358 174.333 174.700 -0.015 0.000 1.113 169 T CA -0.941 61.140 62.100 -0.032 0.000 1.008 169 T CB 0.918 69.771 68.868 -0.026 0.000 1.259 169 T HN 0.446 nan 8.240 nan 0.000 0.520 170 E N 0.648 120.844 120.200 -0.007 0.000 2.210 170 E HA -0.149 4.201 4.350 0.000 0.000 0.201 170 E C -0.440 176.168 176.600 0.013 0.000 1.339 170 E CA 0.055 56.457 56.400 0.003 0.000 0.699 170 E CB -1.623 28.077 29.700 0.001 0.000 1.126 170 E HN 0.488 nan 8.360 nan 0.000 0.355 171 L N 0.187 121.425 121.223 0.024 0.000 2.439 171 L HA 0.406 4.746 4.340 0.000 0.000 0.261 171 L C 0.690 177.588 176.870 0.047 0.000 1.153 171 L CA -0.807 54.060 54.840 0.045 0.000 0.808 171 L CB 0.910 43.018 42.059 0.082 0.000 1.126 171 L HN -0.064 nan 8.230 nan 0.000 0.460 172 V N 0.866 120.809 119.914 0.049 0.000 2.370 172 V HA 0.194 4.314 4.120 0.000 0.000 0.283 172 V C -0.070 176.055 176.094 0.051 0.000 1.023 172 V CA -0.616 61.709 62.300 0.042 0.000 0.857 172 V CB 1.531 33.374 31.823 0.032 0.000 0.985 172 V HN 0.650 nan 8.190 nan 0.000 0.443 173 D N 2.902 123.331 120.400 0.047 0.000 2.377 173 D HA 0.340 4.980 4.640 0.000 0.000 0.245 173 D C 0.027 176.348 176.300 0.036 0.000 1.196 173 D CA -0.135 53.893 54.000 0.047 0.000 0.962 173 D CB 0.960 41.786 40.800 0.043 0.000 1.127 173 D HN 0.349 nan 8.370 nan 0.000 0.471 174 L N 0.916 122.158 121.223 0.031 0.000 2.436 174 L HA 0.166 4.506 4.340 0.000 0.000 0.265 174 L C 1.006 177.888 176.870 0.021 0.000 1.168 174 L CA -0.492 54.363 54.840 0.024 0.000 0.815 174 L CB 0.893 42.964 42.059 0.019 0.000 1.109 174 L HN 0.433 nan 8.230 nan 0.000 0.462 175 S N 1.295 117.005 115.700 0.018 0.000 2.614 175 S HA 0.251 4.721 4.470 0.000 0.000 0.265 175 S C -1.966 172.641 174.600 0.013 0.000 1.303 175 S CA -1.136 57.073 58.200 0.015 0.000 1.000 175 S CB 1.118 64.326 63.200 0.014 0.000 0.935 175 S HN 0.395 nan 8.310 nan 0.000 0.551 176 P HA -0.056 nan 4.420 nan 0.000 0.218 176 P C 1.009 178.314 177.300 0.009 0.000 1.148 176 P CA 1.098 64.204 63.100 0.010 0.000 0.822 176 P CB 0.032 31.738 31.700 0.009 0.000 0.784 177 E N -0.230 119.975 120.200 0.009 0.000 2.023 177 E HA -0.206 4.144 4.350 0.000 0.000 0.196 177 E C 2.140 178.744 176.600 0.007 0.000 1.003 177 E CA 1.405 57.809 56.400 0.007 0.000 0.809 177 E CB -1.024 28.680 29.700 0.008 0.000 0.755 177 E HN 0.366 nan 8.360 nan 0.000 0.449 178 Q N 0.002 119.807 119.800 0.008 0.000 2.096 178 Q HA -0.113 4.227 4.340 0.000 0.000 0.204 178 Q C 2.333 178.337 176.000 0.006 0.000 0.982 178 Q CA 1.124 56.932 55.803 0.008 0.000 0.850 178 Q CB -0.242 28.503 28.738 0.011 0.000 0.901 178 Q HN 0.269 nan 8.270 nan 0.000 0.422 179 L N 0.005 121.233 121.223 0.007 0.000 2.083 179 L HA -0.186 4.154 4.340 0.000 0.000 0.209 179 L C 2.345 179.217 176.870 0.004 0.000 1.083 179 L CA 1.170 56.014 54.840 0.006 0.000 0.752 179 L CB -0.619 41.445 42.059 0.008 0.000 0.899 179 L HN 0.266 nan 8.230 nan 0.000 0.433 180 T N -0.167 114.390 114.554 0.004 0.000 2.821 180 T HA -0.105 4.245 4.350 0.000 0.000 0.267 180 T C 2.000 176.701 174.700 0.001 0.000 1.046 180 T CA 1.190 63.292 62.100 0.003 0.000 1.139 180 T CB -0.168 68.702 68.868 0.004 0.000 0.871 180 T HN 0.437 nan 8.240 nan 0.000 0.454 181 A N 1.529 124.350 122.820 0.001 0.000 2.019 181 A HA 0.046 4.366 4.320 0.000 0.000 0.219 181 A C 2.140 179.722 177.584 -0.003 0.000 1.164 181 A CA 1.205 53.242 52.037 -0.000 0.000 0.644 181 A CB -0.703 18.297 19.000 0.001 0.000 0.805 181 A HN 0.754 nan 8.150 nan 0.000 0.449 182 I N -5.204 115.364 120.570 -0.003 0.000 4.082 182 I HA 0.451 4.621 4.170 0.000 0.000 0.337 182 I C 1.919 178.033 176.117 -0.006 0.000 1.352 182 I CA 0.581 61.877 61.300 -0.007 0.000 1.097 182 I CB -0.128 37.867 38.000 -0.009 0.000 1.048 182 I HN 0.075 nan 8.210 nan 0.000 0.393 183 A N 3.530 126.348 122.820 -0.003 0.000 1.915 183 A HA -0.157 4.163 4.320 0.000 0.000 0.220 183 A C 0.443 178.026 177.584 -0.002 0.000 1.198 183 A CA 2.490 54.527 52.037 -0.001 0.000 0.647 183 A CB -2.280 16.721 19.000 0.001 0.000 0.825 183 A HN 0.497 nan 8.150 nan 0.000 0.456 184 P HA -0.116 nan 4.420 nan 0.000 0.221 184 P C 1.114 178.411 177.300 -0.006 0.000 1.145 184 P CA 0.983 64.080 63.100 -0.004 0.000 0.795 184 P CB -0.191 31.506 31.700 -0.006 0.000 0.775 185 L N -1.998 119.219 121.223 -0.010 0.000 2.529 185 L HA 0.144 4.484 4.340 0.000 0.000 0.223 185 L C 1.347 178.211 176.870 -0.011 0.000 1.113 185 L CA 0.014 54.845 54.840 -0.015 0.000 0.861 185 L CB -0.324 41.720 42.059 -0.026 0.000 1.012 185 L HN -0.099 nan 8.230 nan 0.000 0.461 186 L N 0.227 121.447 121.223 -0.004 0.000 2.375 186 L HA 0.352 4.692 4.340 0.000 0.000 0.268 186 L C -0.427 176.451 176.870 0.013 0.000 1.058 186 L CA -0.940 53.903 54.840 0.004 0.000 0.803 186 L CB 1.456 43.518 42.059 0.004 0.000 1.212 186 L HN -0.132 nan 8.230 nan 0.000 0.451 187 L N 0.696 121.932 121.223 0.022 0.000 2.312 187 L HA 0.185 4.525 4.340 0.000 0.000 0.281 187 L C 1.260 178.143 176.870 0.023 0.000 1.070 187 L CA 0.497 55.353 54.840 0.028 0.000 0.805 187 L CB 1.622 43.707 42.059 0.043 0.000 1.174 187 L HN 0.793 nan 8.230 nan 0.000 0.434 188 S N 2.067 117.779 115.700 0.019 0.000 2.402 188 S HA 0.079 4.549 4.470 0.000 0.000 0.229 188 S C 0.361 174.971 174.600 0.017 0.000 1.021 188 S CA 0.459 58.669 58.200 0.016 0.000 0.974 188 S CB -0.116 63.092 63.200 0.014 0.000 0.800 188 S HN 0.711 nan 8.310 nan 0.000 0.484 189 E N -0.506 119.705 120.200 0.019 0.000 2.430 189 E HA 0.464 4.814 4.350 0.000 0.000 0.279 189 E C -1.849 174.763 176.600 0.021 0.000 1.003 189 E CA -1.036 55.374 56.400 0.017 0.000 0.801 189 E CB 1.386 31.095 29.700 0.014 0.000 1.313 189 E HN 0.142 nan 8.360 nan 0.000 0.459 190 L N 3.741 124.971 121.223 0.012 0.000 2.410 190 L HA 0.245 4.585 4.340 0.000 0.000 0.273 190 L C -2.223 174.656 176.870 0.015 0.000 1.144 190 L CA -0.960 53.885 54.840 0.008 0.000 0.863 190 L CB 0.093 42.140 42.059 -0.021 0.000 1.140 190 L HN 0.299 nan 8.230 nan 0.000 0.463 191 P HA 0.160 nan 4.420 nan 0.000 0.272 191 P C -0.654 176.669 177.300 0.038 0.000 1.223 191 P CA -0.420 62.704 63.100 0.039 0.000 0.784 191 P CB 0.312 32.046 31.700 0.057 0.000 0.923 192 T N -0.747 113.833 114.554 0.045 0.000 2.788 192 T HA 0.058 4.408 4.350 0.000 0.000 0.287 192 T C 1.285 176.035 174.700 0.083 0.000 1.007 192 T CA -0.655 61.477 62.100 0.052 0.000 1.005 192 T CB 0.240 69.138 68.868 0.051 0.000 1.012 192 T HN 0.199 nan 8.240 nan 0.000 0.530 193 L N 0.402 121.686 121.223 0.102 0.000 2.046 193 L HA 0.052 4.392 4.340 0.000 0.000 0.208 193 L C 2.516 179.499 176.870 0.187 0.000 1.077 193 L CA 1.939 56.875 54.840 0.161 0.000 0.747 193 L CB -1.134 41.035 42.059 0.183 0.000 0.896 193 L HN 0.820 nan 8.230 nan 0.000 0.432 194 K N -0.328 120.149 120.400 0.130 0.000 2.026 194 K HA -0.175 4.145 4.320 0.000 0.000 0.208 194 K C 2.098 178.741 176.600 0.071 0.000 1.048 194 K CA 1.741 58.085 56.287 0.096 0.000 0.929 194 K CB -0.277 32.263 32.500 0.066 0.000 0.713 194 K HN 0.535 nan 8.250 nan 0.000 0.439 195 Q N -0.285 119.557 119.800 0.071 0.000 2.291 195 Q HA -0.077 4.263 4.340 0.000 0.000 0.206 195 Q C 1.679 177.723 176.000 0.073 0.000 0.976 195 Q CA 1.050 56.887 55.803 0.057 0.000 0.875 195 Q CB -0.021 28.748 28.738 0.052 0.000 0.927 195 Q HN 0.312 nan 8.270 nan 0.000 0.450 196 L N -1.051 120.250 121.223 0.130 0.000 2.558 196 L HA 0.116 4.456 4.340 0.000 0.000 0.225 196 L C 1.009 177.961 176.870 0.137 0.000 1.128 196 L CA 0.428 55.389 54.840 0.201 0.000 0.868 196 L CB 0.137 42.381 42.059 0.308 0.000 1.006 196 L HN 0.390 nan 8.230 nan 0.000 0.454 197 G N -0.352 108.441 108.800 -0.013 0.000 2.141 197 G HA2 -0.247 3.713 3.960 0.000 0.000 0.195 197 G HA3 -0.247 3.713 3.960 0.000 0.000 0.195 197 G C -0.222 174.272 174.900 -0.677 0.000 1.012 197 G CA -0.487 44.414 45.100 -0.332 0.000 0.696 197 G HN 0.171 nan 8.290 nan 0.000 0.508 198 F N -0.509 119.477 119.950 0.061 0.000 2.629 198 F HA 0.755 5.282 4.527 0.000 0.000 0.316 198 F C -0.305 175.559 175.800 0.107 0.000 1.081 198 F CA -1.111 56.937 58.000 0.081 0.000 0.954 198 F CB 2.200 41.248 39.000 0.081 0.000 1.337 198 F HN -0.023 nan 8.300 nan 0.000 0.474 199 D N 0.550 121.158 120.400 0.347 0.000 2.879 199 D HA 0.298 4.938 4.640 0.000 0.000 0.236 199 D C -2.012 174.519 176.300 0.385 0.000 1.171 199 D CA -0.220 53.942 54.000 0.270 0.000 0.868 199 D CB 2.058 42.956 40.800 0.164 0.000 1.598 199 D HN 0.592 nan 8.370 nan 0.000 0.497 200 W N 4.891 126.240 121.300 0.081 0.000 3.624 200 W HA 0.238 4.898 4.660 0.000 0.000 0.312 200 W C -1.558 174.955 176.519 -0.011 0.000 1.203 200 W CA -0.624 56.742 57.345 0.035 0.000 1.225 200 W CB 1.712 31.197 29.460 0.042 0.000 1.321 200 W HN 0.471 nan 8.180 nan 0.000 0.506 201 D N 2.213 122.088 120.400 -0.874 0.000 2.651 201 D HA 0.114 4.754 4.640 0.000 0.000 0.280 201 D C 0.946 176.677 176.300 -0.947 0.000 1.496 201 D CA -0.108 53.484 54.000 -0.680 0.000 0.792 201 D CB 0.024 40.625 40.800 -0.332 0.000 1.144 201 D HN 0.483 nan 8.370 nan 0.000 0.470 202 G N 0.192 107.846 108.800 -1.910 0.000 2.985 202 G HA2 0.435 4.395 3.960 0.000 0.000 0.209 202 G HA3 0.435 4.395 3.960 0.000 0.000 0.209 202 G C 1.008 175.603 174.900 -0.508 0.000 1.165 202 G CA 0.343 44.683 45.100 -1.266 0.000 0.776 202 G HN 0.715 nan 8.290 nan 0.000 0.541 203 G N -0.861 107.613 108.800 -0.543 0.000 2.725 203 G HA2 0.047 4.007 3.960 0.000 0.000 0.220 203 G HA3 0.047 4.007 3.960 0.000 0.000 0.220 203 G C -0.638 173.990 174.900 -0.453 0.000 1.357 203 G CA -0.529 44.359 45.100 -0.352 0.000 0.866 203 G HN 0.532 nan 8.290 nan 0.000 0.548 204 F N -0.680 119.419 119.950 0.249 0.000 2.645 204 F HA 0.632 5.159 4.527 0.000 0.000 0.310 204 F C -1.103 174.711 175.800 0.024 0.000 1.102 204 F CA -1.009 57.100 58.000 0.182 0.000 0.952 204 F CB 1.825 40.955 39.000 0.217 0.000 1.326 204 F HN 0.355 nan 8.300 nan 0.000 0.456 205 P HA 0.017 nan 4.420 nan 0.000 0.225 205 P C -0.223 177.008 177.300 -0.114 0.000 1.156 205 P CA 0.893 63.836 63.100 -0.261 0.000 0.787 205 P CB 1.183 32.420 31.700 -0.772 0.000 0.802 206 V N -0.141 119.797 119.914 0.040 0.000 2.891 206 V HA 0.257 4.377 4.120 0.000 0.000 0.304 206 V C -0.962 175.236 176.094 0.173 0.000 1.171 206 V CA -0.903 61.442 62.300 0.074 0.000 0.943 206 V CB 2.549 34.395 31.823 0.038 0.000 1.037 206 V HN -0.226 nan 8.190 nan 0.000 0.427 207 E N 5.400 125.673 120.200 0.121 0.000 2.415 207 E HA 0.258 4.608 4.350 0.000 0.000 0.262 207 E C -2.408 174.138 176.600 -0.090 0.000 1.038 207 E CA -1.528 54.904 56.400 0.053 0.000 0.921 207 E CB 0.490 30.213 29.700 0.040 0.000 0.950 207 E HN 0.536 nan 8.360 nan 0.000 0.438 208 P HA 0.190 nan 4.420 nan 0.000 0.269 208 P C -0.189 176.841 177.300 -0.450 0.000 1.215 208 P CA 0.493 63.119 63.100 -0.790 0.000 0.780 208 P CB 0.513 31.611 31.700 -1.003 0.000 0.898 209 G N 0.754 109.274 108.800 -0.467 0.000 2.629 209 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 209 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 209 G C 0.566 175.401 174.900 -0.107 0.000 1.232 209 G CA -0.090 44.862 45.100 -0.247 0.000 0.803 209 G HN 0.517 nan 8.290 nan 0.000 0.638 210 E N -0.463 119.692 120.200 -0.075 0.000 2.051 210 E HA -0.149 4.201 4.350 0.000 0.000 0.192 210 E C 2.479 179.073 176.600 -0.011 0.000 0.991 210 E CA 2.176 58.563 56.400 -0.021 0.000 0.799 210 E CB -0.168 29.515 29.700 -0.029 0.000 0.748 210 E HN 0.607 nan 8.360 nan 0.000 0.449 211 T N 0.631 115.167 114.554 -0.030 0.000 2.684 211 T HA -0.165 4.185 4.350 0.000 0.000 0.267 211 T C 1.885 176.582 174.700 -0.005 0.000 1.036 211 T CA 1.540 63.630 62.100 -0.018 0.000 1.148 211 T CB -0.372 68.480 68.868 -0.027 0.000 0.863 211 T HN 0.353 nan 8.240 nan 0.000 0.436 212 A N 1.193 124.006 122.820 -0.013 0.000 1.969 212 A HA 0.236 4.556 4.320 0.000 0.000 0.218 212 A C 2.598 180.199 177.584 0.028 0.000 1.169 212 A CA 1.685 53.725 52.037 0.004 0.000 0.635 212 A CB -0.945 18.052 19.000 -0.006 0.000 0.810 212 A HN 0.509 nan 8.150 nan 0.000 0.445 213 A N 0.144 122.988 122.820 0.040 0.000 1.873 213 A HA -0.054 4.266 4.320 0.000 0.000 0.215 213 A C 2.096 179.718 177.584 0.064 0.000 1.186 213 A CA 1.456 53.535 52.037 0.070 0.000 0.616 213 A CB -0.566 18.492 19.000 0.097 0.000 0.823 213 A HN 0.478 nan 8.150 nan 0.000 0.442 214 I N -0.211 120.390 120.570 0.051 0.000 2.226 214 I HA -0.277 3.893 4.170 0.000 0.000 0.245 214 I C 2.970 179.112 176.117 0.042 0.000 1.100 214 I CA 1.003 62.333 61.300 0.050 0.000 1.374 214 I CB -0.367 37.654 38.000 0.036 0.000 1.057 214 I HN 0.368 nan 8.210 nan 0.000 0.413 215 A N 0.915 123.754 122.820 0.031 0.000 1.902 215 A HA -0.268 4.052 4.320 0.000 0.000 0.217 215 A C 2.338 179.943 177.584 0.034 0.000 1.181 215 A CA 2.031 54.084 52.037 0.026 0.000 0.623 215 A CB -0.529 18.483 19.000 0.019 0.000 0.818 215 A HN 0.303 nan 8.150 nan 0.000 0.443 216 R N -0.314 120.209 120.500 0.038 0.000 2.075 216 R HA -0.076 4.264 4.340 0.000 0.000 0.232 216 R C 1.881 178.217 176.300 0.060 0.000 1.126 216 R CA 1.708 57.832 56.100 0.040 0.000 0.963 216 R CB -1.019 29.294 30.300 0.021 0.000 0.858 216 R HN 0.423 nan 8.270 nan 0.000 0.435 217 L N 0.866 122.128 121.223 0.065 0.000 2.012 217 L HA -0.200 4.140 4.340 0.000 0.000 0.210 217 L C 1.995 178.905 176.870 0.067 0.000 1.073 217 L CA 1.936 56.827 54.840 0.083 0.000 0.748 217 L CB -0.615 41.506 42.059 0.103 0.000 0.891 217 L HN 0.312 nan 8.230 nan 0.000 0.431 218 Q N -0.394 119.433 119.800 0.045 0.000 2.084 218 Q HA -0.230 4.110 4.340 0.000 0.000 0.202 218 Q C 2.075 178.080 176.000 0.008 0.000 0.978 218 Q CA 2.032 57.846 55.803 0.019 0.000 0.844 218 Q CB -0.318 28.430 28.738 0.016 0.000 0.898 218 Q HN 0.704 nan 8.270 nan 0.000 0.426 219 E N 0.250 120.468 120.200 0.031 0.000 2.072 219 E HA -0.156 4.194 4.350 0.000 0.000 0.191 219 E C 1.772 178.393 176.600 0.035 0.000 0.985 219 E CA 0.768 57.184 56.400 0.028 0.000 0.801 219 E CB -0.210 29.515 29.700 0.042 0.000 0.750 219 E HN 0.195 nan 8.360 nan 0.000 0.452 220 F N 1.208 121.089 119.950 -0.116 0.000 2.102 220 F HA -0.193 4.334 4.527 0.000 0.000 0.298 220 F C 2.068 177.727 175.800 -0.234 0.000 1.105 220 F CA 1.019 58.909 58.000 -0.184 0.000 1.239 220 F CB -0.339 38.502 39.000 -0.264 0.000 0.991 220 F HN 0.002 nan 8.300 nan 0.000 0.474 221 C N 0.139 119.295 119.300 -0.241 0.000 2.456 221 C HA -0.103 4.357 4.460 0.000 0.000 0.279 221 C C 2.447 177.287 174.990 -0.251 0.000 1.427 221 C CA 1.042 59.858 59.018 -0.337 0.000 1.778 221 C CB -1.250 26.381 27.740 -0.181 0.000 1.842 221 C HN 0.534 nan 8.230 nan 0.000 0.531 222 D N -0.307 119.990 120.400 -0.172 0.000 2.348 222 D HA 0.016 4.656 4.640 0.000 0.000 0.211 222 D C 2.028 178.246 176.300 -0.136 0.000 0.998 222 D CA 0.534 54.459 54.000 -0.124 0.000 0.873 222 D CB 0.400 41.157 40.800 -0.071 0.000 0.925 222 D HN 0.395 nan 8.370 nan 0.000 0.524 223 R N -0.809 119.578 120.500 -0.188 0.000 4.999 223 R HA 0.343 4.683 4.340 0.000 0.000 0.115 223 R C 2.060 178.224 176.300 -0.227 0.000 1.404 223 R CA 0.447 56.452 56.100 -0.160 0.000 0.925 223 R CB -1.220 29.028 30.300 -0.086 0.000 1.282 223 R HN 0.066 nan 8.270 nan 0.000 0.405 224 A N 1.238 123.916 122.820 -0.236 0.000 1.986 224 A HA -0.062 4.258 4.320 0.000 0.000 0.220 224 A C 2.028 179.318 177.584 -0.488 0.000 1.171 224 A CA 1.972 53.872 52.037 -0.228 0.000 0.640 224 A CB -0.826 18.185 19.000 0.019 0.000 0.811 224 A HN 0.484 nan 8.150 nan 0.000 0.451 225 I N -0.614 119.316 120.570 -1.067 0.000 2.361 225 I HA -0.250 3.920 4.170 0.000 0.000 0.251 225 I C 2.558 178.456 176.117 -0.365 0.000 1.133 225 I CA 1.143 61.800 61.300 -1.071 0.000 1.413 225 I CB -0.130 37.111 38.000 -1.266 0.000 1.073 225 I HN 0.356 nan 8.210 nan 0.000 0.424 226 A N -0.190 122.466 122.820 -0.273 0.000 2.019 226 A HA -0.209 4.111 4.320 0.000 0.000 0.219 226 A C 1.672 179.236 177.584 -0.034 0.000 1.164 226 A CA 1.921 53.884 52.037 -0.124 0.000 0.644 226 A CB -0.383 18.548 19.000 -0.116 0.000 0.805 226 A HN 0.520 nan 8.150 nan 0.000 0.449 227 D N -2.640 117.754 120.400 -0.011 0.000 2.398 227 D HA 0.059 4.699 4.640 0.000 0.000 0.210 227 D C 1.035 177.416 176.300 0.136 0.000 1.094 227 D CA -0.147 53.889 54.000 0.060 0.000 0.839 227 D CB -0.158 40.675 40.800 0.055 0.000 0.963 227 D HN 0.474 nan 8.370 nan 0.000 0.506 228 Y N 2.198 122.513 120.300 0.024 0.000 2.132 228 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 228 Y C 0.516 176.485 175.900 0.115 0.000 1.193 228 Y CA 1.563 59.734 58.100 0.119 0.000 1.157 228 Y CB 0.028 38.592 38.460 0.172 0.000 0.966 228 Y HN -0.164 nan 8.280 nan 0.000 0.511 229 D N -0.206 120.259 120.400 0.109 0.000 2.303 229 D HA 0.224 4.864 4.640 0.000 0.000 0.236 229 D C -2.143 174.186 176.300 0.049 0.000 1.068 229 D CA -2.469 51.537 54.000 0.009 0.000 0.830 229 D CB 1.414 42.255 40.800 0.070 0.000 1.109 229 D HN 0.076 nan 8.370 nan 0.000 0.496 230 P HA 0.046 nan 4.420 nan 0.000 0.268 230 P C 0.650 177.928 177.300 -0.037 0.000 1.329 230 P CA -0.068 63.022 63.100 -0.017 0.000 0.899 230 P CB 0.753 32.491 31.700 0.064 0.000 1.378 231 Q N 1.087 120.942 119.800 0.093 0.000 2.297 231 Q HA -0.157 4.183 4.340 0.000 0.000 0.208 231 Q C 2.164 178.193 176.000 0.048 0.000 0.981 231 Q CA 1.248 57.176 55.803 0.209 0.000 0.876 231 Q CB -0.664 28.201 28.738 0.212 0.000 0.921 231 Q HN 0.562 nan 8.270 nan 0.000 0.446 232 R N 0.052 120.412 120.500 -0.233 0.000 2.193 232 R HA -0.032 4.308 4.340 0.000 0.000 0.229 232 R C 1.118 177.292 176.300 -0.211 0.000 1.110 232 R CA 1.225 57.119 56.100 -0.344 0.000 0.988 232 R CB -0.248 29.425 30.300 -1.045 0.000 0.871 232 R HN 0.166 nan 8.270 nan 0.000 0.458 233 N N 0.377 118.806 118.700 -0.453 0.000 2.446 233 N HA -0.010 4.730 4.740 0.000 0.000 0.179 233 N C -0.600 174.507 175.510 -0.671 0.000 1.054 233 N CA 0.598 53.245 53.050 -0.671 0.000 0.905 233 N CB 0.148 38.128 38.487 -0.845 0.000 0.973 233 N HN 0.141 nan 8.380 nan 0.000 0.448 234 F N 2.013 121.929 119.950 -0.057 0.000 2.334 234 F HA 0.329 4.856 4.527 0.000 0.000 0.367 234 F C -1.268 174.281 175.800 -0.418 0.000 1.115 234 F CA -2.648 55.273 58.000 -0.132 0.000 1.116 234 F CB 1.234 40.236 39.000 0.003 0.000 1.230 234 F HN -0.143 nan 8.300 nan 0.000 0.484 235 P HA -0.224 nan 4.420 nan 0.000 0.219 235 P C 1.236 178.479 177.300 -0.095 0.000 1.146 235 P CA 1.484 64.051 63.100 -0.887 0.000 0.808 235 P CB 0.248 31.194 31.700 -1.256 0.000 0.779 236 A N -0.510 122.371 122.820 0.100 0.000 2.066 236 A HA -0.047 4.273 4.320 0.000 0.000 0.218 236 A C 1.232 178.937 177.584 0.201 0.000 1.157 236 A CA 0.863 53.059 52.037 0.266 0.000 0.670 236 A CB -0.437 18.683 19.000 0.199 0.000 0.804 236 A HN 0.120 nan 8.150 nan 0.000 0.453 237 E N -0.583 119.726 120.200 0.182 0.000 2.242 237 E HA 0.499 4.849 4.350 0.000 0.000 0.275 237 E C -0.461 176.283 176.600 0.240 0.000 1.002 237 E CA -0.129 56.385 56.400 0.191 0.000 0.841 237 E CB 1.385 31.211 29.700 0.210 0.000 1.109 237 E HN 0.161 nan 8.360 nan 0.000 0.394 238 A N 2.063 125.010 122.820 0.211 0.000 3.118 238 A HA 0.346 4.666 4.320 0.000 0.000 0.256 238 A C 1.148 178.882 177.584 0.250 0.000 1.667 238 A CA 0.129 52.298 52.037 0.220 0.000 1.338 238 A CB -0.841 18.250 19.000 0.152 0.000 1.127 238 A HN 0.605 nan 8.150 nan 0.000 0.634 239 G N 0.002 108.988 108.800 0.310 0.000 2.939 239 G HA2 0.227 4.187 3.960 0.000 0.000 0.210 239 G HA3 0.227 4.187 3.960 0.000 0.000 0.210 239 G C 0.857 176.046 174.900 0.482 0.000 1.160 239 G CA 0.951 46.257 45.100 0.344 0.000 0.770 239 G HN 0.707 nan 8.290 nan 0.000 0.543 240 T N -2.665 112.136 114.554 0.412 0.000 2.937 240 T HA 0.461 4.811 4.350 0.000 0.000 0.283 240 T C 1.748 176.425 174.700 -0.039 0.000 1.012 240 T CA 0.466 62.798 62.100 0.387 0.000 0.997 240 T CB 1.624 70.704 68.868 0.354 0.000 1.136 240 T HN 0.106 nan 8.240 nan 0.000 0.551 241 S N -0.482 114.931 115.700 -0.479 0.000 2.428 241 S HA 0.232 4.702 4.470 0.000 0.000 0.230 241 S C 2.048 176.440 174.600 -0.346 0.000 1.014 241 S CA 0.764 58.425 58.200 -0.897 0.000 0.957 241 S CB -1.308 61.285 63.200 -1.013 0.000 0.784 241 S HN 2.236 nan 8.310 nan 0.000 0.499 242 G N 1.003 109.689 108.800 -0.191 0.000 2.155 242 G HA2 -0.234 3.726 3.960 0.000 0.000 0.257 242 G HA3 -0.234 3.726 3.960 0.000 0.000 0.257 242 G C 0.459 175.261 174.900 -0.163 0.000 0.983 242 G CA 0.566 45.494 45.100 -0.286 0.000 0.676 242 G HN 0.565 nan 8.290 nan 0.000 0.528 243 L N 1.340 122.527 121.223 -0.059 0.000 2.591 243 L HA 0.069 4.409 4.340 0.000 0.000 0.228 243 L C 2.872 179.764 176.870 0.038 0.000 1.133 243 L CA 1.048 55.895 54.840 0.011 0.000 0.880 243 L CB -0.211 41.896 42.059 0.080 0.000 1.033 243 L HN 0.489 nan 8.230 nan 0.000 0.450 244 S N 0.905 116.643 115.700 0.064 0.000 2.372 244 S HA -0.141 4.329 4.470 0.000 0.000 0.227 244 S C -0.283 174.316 174.600 -0.001 0.000 1.044 244 S CA 1.373 59.616 58.200 0.071 0.000 1.050 244 S CB -1.891 61.410 63.200 0.168 0.000 0.901 244 S HN 0.329 nan 8.310 nan 0.000 0.447 245 P HA 0.148 nan 4.420 nan 0.000 0.222 245 P C 1.523 178.768 177.300 -0.091 0.000 1.153 245 P CA 1.493 64.425 63.100 -0.279 0.000 0.798 245 P CB -0.209 30.987 31.700 -0.840 0.000 0.796 246 A N 0.056 122.889 122.820 0.020 0.000 1.969 246 A HA -0.056 4.264 4.320 0.000 0.000 0.218 246 A C 2.337 180.042 177.584 0.202 0.000 1.169 246 A CA 1.025 53.204 52.037 0.237 0.000 0.635 246 A CB -1.422 17.696 19.000 0.197 0.000 0.810 246 A HN 0.136 nan 8.150 nan 0.000 0.445 247 L N -0.887 120.412 121.223 0.128 0.000 2.209 247 L HA -0.063 4.277 4.340 0.000 0.000 0.207 247 L C 2.588 179.512 176.870 0.090 0.000 1.094 247 L CA 1.016 55.927 54.840 0.118 0.000 0.790 247 L CB -0.297 41.816 42.059 0.090 0.000 0.932 247 L HN 0.295 nan 8.230 nan 0.000 0.447 248 K N 0.841 121.260 120.400 0.031 0.000 2.026 248 K HA -0.151 4.169 4.320 0.000 0.000 0.208 248 K C 1.692 178.207 176.600 -0.142 0.000 1.048 248 K CA 1.839 58.062 56.287 -0.107 0.000 0.929 248 K CB -0.150 32.197 32.500 -0.255 0.000 0.713 248 K HN 0.188 nan 8.250 nan 0.000 0.439 249 F N 0.210 120.238 119.950 0.129 0.000 2.765 249 F HA 0.230 4.757 4.527 0.000 0.000 0.302 249 F C 1.219 177.124 175.800 0.174 0.000 1.111 249 F CA 0.565 58.669 58.000 0.174 0.000 1.359 249 F CB 0.155 39.300 39.000 0.242 0.000 1.097 249 F HN 0.308 nan 8.300 nan 0.000 0.577 250 G N 0.744 109.721 108.800 0.295 0.000 2.273 250 G HA2 -0.271 3.689 3.960 0.000 0.000 0.280 250 G HA3 -0.271 3.689 3.960 0.000 0.000 0.280 250 G C 1.190 176.226 174.900 0.227 0.000 1.047 250 G CA 0.341 45.587 45.100 0.244 0.000 0.869 250 G HN 0.565 nan 8.290 nan 0.000 0.502 251 A N -1.300 121.661 122.820 0.235 0.000 2.119 251 A HA 0.558 4.878 4.320 0.000 0.000 0.216 251 A C 1.040 178.702 177.584 0.129 0.000 1.152 251 A CA 1.531 53.663 52.037 0.158 0.000 0.708 251 A CB 0.245 19.346 19.000 0.169 0.000 0.805 251 A HN 1.376 nan 8.150 nan 0.000 0.460 252 I N -1.565 119.096 120.570 0.152 0.000 2.647 252 I HA 0.612 4.782 4.170 0.000 0.000 0.295 252 I C 0.324 176.529 176.117 0.147 0.000 1.078 252 I CA -0.592 60.789 61.300 0.136 0.000 1.048 252 I CB 1.713 39.800 38.000 0.144 0.000 1.239 252 I HN 0.030 nan 8.210 nan 0.000 0.421 253 G N 5.481 114.361 108.800 0.133 0.000 2.432 253 G HA2 0.290 4.250 3.960 0.000 0.000 0.257 253 G HA3 0.290 4.250 3.960 0.000 0.000 0.257 253 G C 0.558 175.554 174.900 0.160 0.000 1.238 253 G CA -0.241 44.941 45.100 0.136 0.000 0.838 253 G HN 0.740 nan 8.290 nan 0.000 0.547 254 I N 1.323 121.990 120.570 0.162 0.000 2.394 254 I HA -0.054 4.116 4.170 0.000 0.000 0.251 254 I C 2.631 178.878 176.117 0.216 0.000 1.136 254 I CA 1.094 62.508 61.300 0.190 0.000 1.425 254 I CB -0.039 38.062 38.000 0.170 0.000 1.079 254 I HN 0.580 nan 8.210 nan 0.000 0.425 255 R N -0.497 120.099 120.500 0.159 0.000 2.090 255 R HA -0.128 4.212 4.340 0.000 0.000 0.228 255 R C 2.261 178.690 176.300 0.214 0.000 1.110 255 R CA 1.284 57.483 56.100 0.165 0.000 0.973 255 R CB -0.385 29.965 30.300 0.084 0.000 0.869 255 R HN 0.485 nan 8.270 nan 0.000 0.440 256 Q N 0.246 120.151 119.800 0.174 0.000 2.119 256 Q HA -0.092 4.248 4.340 0.000 0.000 0.201 256 Q C 1.955 178.075 176.000 0.201 0.000 0.972 256 Q CA 1.401 57.299 55.803 0.159 0.000 0.847 256 Q CB 0.027 28.838 28.738 0.121 0.000 0.903 256 Q HN 0.375 nan 8.270 nan 0.000 0.433 257 A N 0.727 123.699 122.820 0.254 0.000 1.898 257 A HA -0.191 4.129 4.320 0.000 0.000 0.216 257 A C 1.811 179.625 177.584 0.383 0.000 1.181 257 A CA 1.105 53.340 52.037 0.330 0.000 0.620 257 A CB -1.275 17.943 19.000 0.363 0.000 0.819 257 A HN 0.795 nan 8.150 nan 0.000 0.442 258 W N 0.756 122.185 121.300 0.215 0.000 2.358 258 W HA -0.200 4.460 4.660 0.000 0.000 0.303 258 W C 2.164 178.785 176.519 0.168 0.000 1.208 258 W CA 2.024 59.493 57.345 0.207 0.000 1.274 258 W CB -0.396 29.143 29.460 0.131 0.000 1.138 258 W HN 0.598 nan 8.180 nan 0.000 0.515 259 Q N 0.590 120.539 119.800 0.249 0.000 2.096 259 Q HA -0.205 4.136 4.340 0.000 0.000 0.204 259 Q C 2.354 178.373 176.000 0.032 0.000 0.982 259 Q CA 2.417 58.298 55.803 0.130 0.000 0.850 259 Q CB -0.454 28.372 28.738 0.148 0.000 0.901 259 Q HN 0.187 nan 8.270 nan 0.000 0.422 260 A N 0.598 123.455 122.820 0.062 0.000 1.902 260 A HA -0.085 4.235 4.320 0.000 0.000 0.217 260 A C 2.249 179.815 177.584 -0.029 0.000 1.181 260 A CA 1.634 53.687 52.037 0.027 0.000 0.623 260 A CB -0.866 18.169 19.000 0.059 0.000 0.818 260 A HN 0.561 nan 8.150 nan 0.000 0.443 261 A N -0.558 122.245 122.820 -0.027 0.000 1.898 261 A HA -0.030 4.290 4.320 0.000 0.000 0.216 261 A C 2.429 179.921 177.584 -0.152 0.000 1.181 261 A CA 1.941 53.934 52.037 -0.073 0.000 0.620 261 A CB -0.847 18.192 19.000 0.064 0.000 0.819 261 A HN 0.446 nan 8.150 nan 0.000 0.442 262 S N 0.143 115.669 115.700 -0.289 0.000 2.368 262 S HA -0.073 4.397 4.470 0.000 0.000 0.225 262 S C 2.284 176.856 174.600 -0.047 0.000 1.030 262 S CA 1.212 59.275 58.200 -0.228 0.000 0.999 262 S CB -0.482 62.572 63.200 -0.243 0.000 0.844 262 S HN 0.793 nan 8.310 nan 0.000 0.459 263 A N 1.685 124.482 122.820 -0.038 0.000 1.902 263 A HA 0.089 4.409 4.320 0.000 0.000 0.217 263 A C 2.383 179.961 177.584 -0.009 0.000 1.181 263 A CA 1.728 53.760 52.037 -0.007 0.000 0.623 263 A CB -1.137 17.858 19.000 -0.008 0.000 0.818 263 A HN 0.522 nan 8.150 nan 0.000 0.443 264 A N -1.336 121.463 122.820 -0.035 0.000 1.902 264 A HA -0.233 4.087 4.320 0.000 0.000 0.217 264 A C 2.153 179.722 177.584 -0.026 0.000 1.181 264 A CA 1.807 53.809 52.037 -0.059 0.000 0.623 264 A CB -0.934 17.994 19.000 -0.120 0.000 0.818 264 A HN 0.735 nan 8.150 nan 0.000 0.443 265 H N 0.160 119.183 119.070 -0.078 0.000 2.353 265 H HA -0.057 4.499 4.556 0.000 0.000 0.300 265 H C 2.277 177.588 175.328 -0.029 0.000 1.090 265 H CA 1.789 57.808 56.048 -0.048 0.000 1.327 265 H CB -0.270 29.465 29.762 -0.046 0.000 1.383 265 H HN 0.401 nan 8.280 nan 0.000 0.508 266 A N 0.888 123.801 122.820 0.154 0.000 1.972 266 A HA -0.054 4.266 4.320 0.000 0.000 0.219 266 A C 2.543 180.138 177.584 0.019 0.000 1.169 266 A CA 1.108 53.206 52.037 0.102 0.000 0.635 266 A CB -0.549 18.496 19.000 0.076 0.000 0.810 266 A HN 0.435 nan 8.150 nan 0.000 0.446 267 L N -0.032 121.184 121.223 -0.011 0.000 2.607 267 L HA 0.126 4.466 4.340 0.000 0.000 0.228 267 L C 0.359 177.195 176.870 -0.057 0.000 1.123 267 L CA -0.403 54.419 54.840 -0.030 0.000 0.890 267 L CB 0.046 42.088 42.059 -0.028 0.000 1.103 267 L HN 0.098 nan 8.230 nan 0.000 0.468 268 S N 0.329 115.973 115.700 -0.093 0.000 2.572 268 S HA 0.206 4.677 4.470 0.000 0.000 0.279 268 S C 1.052 175.594 174.600 -0.096 0.000 1.341 268 S CA -0.180 57.949 58.200 -0.119 0.000 1.043 268 S CB 0.855 63.933 63.200 -0.203 0.000 0.887 268 S HN 0.299 nan 8.310 nan 0.000 0.516 269 R N 0.866 121.321 120.500 -0.076 0.000 2.577 269 R HA 0.189 4.529 4.340 0.000 0.000 0.344 269 R C -0.221 176.050 176.300 -0.049 0.000 1.037 269 R CA -0.053 56.015 56.100 -0.054 0.000 1.102 269 R CB 0.431 30.707 30.300 -0.039 0.000 1.313 269 R HN 0.669 nan 8.270 nan 0.000 0.561 270 S N -1.702 113.960 115.700 -0.062 0.000 2.556 270 S HA 0.242 4.712 4.470 0.000 0.000 0.271 270 S C -0.371 174.199 174.600 -0.051 0.000 1.135 270 S CA -0.894 57.280 58.200 -0.044 0.000 0.858 270 S CB 2.022 65.203 63.200 -0.032 0.000 1.114 270 S HN -0.130 nan 8.310 nan 0.000 0.468 271 D N 1.183 121.567 120.400 -0.026 0.000 2.219 271 D HA 0.021 4.661 4.640 0.000 0.000 0.205 271 D C 1.406 177.705 176.300 -0.001 0.000 0.970 271 D CA 1.306 55.299 54.000 -0.012 0.000 0.851 271 D CB 0.002 40.808 40.800 0.009 0.000 0.943 271 D HN 0.666 nan 8.370 nan 0.000 0.488 272 E N 0.596 120.796 120.200 0.000 0.000 2.047 272 E HA -0.048 4.302 4.350 0.000 0.000 0.191 272 E C 2.062 178.667 176.600 0.009 0.000 0.987 272 E CA 1.205 57.614 56.400 0.014 0.000 0.799 272 E CB -0.452 29.256 29.700 0.013 0.000 0.752 272 E HN 0.238 nan 8.360 nan 0.000 0.449 273 A N 0.938 123.745 122.820 -0.022 0.000 1.877 273 A HA -0.200 4.120 4.320 0.000 0.000 0.216 273 A C 2.102 179.653 177.584 -0.055 0.000 1.186 273 A CA 1.645 53.656 52.037 -0.044 0.000 0.620 273 A CB -0.428 18.527 19.000 -0.076 0.000 0.822 273 A HN 0.075 nan 8.150 nan 0.000 0.443 274 R N -0.744 119.693 120.500 -0.105 0.000 2.091 274 R HA -0.185 4.155 4.340 0.000 0.000 0.238 274 R C 2.234 178.574 176.300 0.066 0.000 1.136 274 R CA 1.641 57.641 56.100 -0.166 0.000 0.959 274 R CB -0.416 29.726 30.300 -0.263 0.000 0.856 274 R HN 0.708 nan 8.270 nan 0.000 0.437 275 N N 0.234 118.979 118.700 0.074 0.000 2.084 275 N HA -0.128 4.612 4.740 0.000 0.000 0.190 275 N C 1.513 177.117 175.510 0.156 0.000 1.030 275 N CA 1.861 54.985 53.050 0.124 0.000 0.849 275 N CB -0.066 38.477 38.487 0.093 0.000 1.012 275 N HN -0.041 nan 8.380 nan 0.000 0.423 276 S N 0.020 115.801 115.700 0.135 0.000 2.359 276 S HA -0.072 4.398 4.470 0.000 0.000 0.224 276 S C 1.944 176.690 174.600 0.243 0.000 1.035 276 S CA 1.222 59.543 58.200 0.201 0.000 1.018 276 S CB -0.380 62.906 63.200 0.143 0.000 0.876 276 S HN 0.369 nan 8.310 nan 0.000 0.448 277 I N 0.825 121.487 120.570 0.154 0.000 2.286 277 I HA -0.163 4.007 4.170 0.000 0.000 0.248 277 I C 2.655 178.924 176.117 0.253 0.000 1.115 277 I CA 1.027 62.422 61.300 0.159 0.000 1.392 277 I CB -0.207 37.862 38.000 0.114 0.000 1.065 277 I HN 0.123 nan 8.210 nan 0.000 0.418 278 R N 0.862 121.527 120.500 0.275 0.000 2.092 278 R HA -0.086 4.254 4.340 0.000 0.000 0.231 278 R C 2.062 178.506 176.300 0.241 0.000 1.119 278 R CA 1.304 57.571 56.100 0.279 0.000 0.970 278 R CB -0.695 29.778 30.300 0.289 0.000 0.864 278 R HN 0.155 nan 8.270 nan 0.000 0.440 279 V N -0.789 119.274 119.914 0.248 0.000 2.427 279 V HA -0.207 3.913 4.120 0.000 0.000 0.248 279 V C 1.808 178.080 176.094 0.297 0.000 1.051 279 V CA 1.676 64.121 62.300 0.243 0.000 1.048 279 V CB -0.611 31.401 31.823 0.314 0.000 0.666 279 V HN 0.468 nan 8.190 nan 0.000 0.456 280 W N 0.805 122.152 121.300 0.077 0.000 2.388 280 W HA -0.158 4.502 4.660 0.000 0.000 0.294 280 W C 2.526 179.050 176.519 0.009 0.000 1.212 280 W CA 1.641 58.869 57.345 -0.195 0.000 1.271 280 W CB -0.187 29.040 29.460 -0.389 0.000 1.126 280 W HN 0.242 nan 8.180 nan 0.000 0.535 281 Q N -0.455 119.469 119.800 0.207 0.000 2.170 281 Q HA -0.255 4.085 4.340 0.000 0.000 0.203 281 Q C 2.137 178.295 176.000 0.263 0.000 0.976 281 Q CA 1.604 57.561 55.803 0.257 0.000 0.858 281 Q CB -0.401 28.538 28.738 0.334 0.000 0.907 281 Q HN 0.486 nan 8.270 nan 0.000 0.433 282 Q N 0.047 119.869 119.800 0.037 0.000 2.224 282 Q HA -0.143 4.197 4.340 0.000 0.000 0.203 282 Q C 1.701 177.665 176.000 -0.060 0.000 0.970 282 Q CA 0.648 56.292 55.803 -0.266 0.000 0.865 282 Q CB 0.192 28.613 28.738 -0.528 0.000 0.922 282 Q HN 0.329 nan 8.270 nan 0.000 0.445 283 E N 0.822 120.982 120.200 -0.067 0.000 2.106 283 E HA -0.107 4.244 4.350 0.000 0.000 0.192 283 E C 2.073 178.589 176.600 -0.140 0.000 0.984 283 E CA 0.694 57.041 56.400 -0.087 0.000 0.806 283 E CB -0.111 29.436 29.700 -0.254 0.000 0.750 283 E HN 0.390 nan 8.360 nan 0.000 0.458 284 L N 0.349 121.437 121.223 -0.225 0.000 2.131 284 L HA -0.113 4.227 4.340 0.000 0.000 0.210 284 L C 2.443 179.215 176.870 -0.163 0.000 1.092 284 L CA 1.047 55.808 54.840 -0.131 0.000 0.759 284 L CB -0.520 41.567 42.059 0.047 0.000 0.903 284 L HN 0.053 nan 8.230 nan 0.000 0.435 285 A N -0.805 121.816 122.820 -0.331 0.000 1.968 285 A HA -0.199 4.121 4.320 0.000 0.000 0.217 285 A C 1.920 179.307 177.584 -0.328 0.000 1.169 285 A CA 0.939 52.505 52.037 -0.784 0.000 0.638 285 A CB -0.777 17.869 19.000 -0.589 0.000 0.812 285 A HN 0.488 nan 8.150 nan 0.000 0.446 286 W N 0.046 121.205 121.300 -0.235 0.000 2.363 286 W HA -0.124 4.536 4.660 0.000 0.000 0.296 286 W C 2.563 178.958 176.519 -0.206 0.000 1.212 286 W CA 1.654 58.797 57.345 -0.336 0.000 1.260 286 W CB -0.035 29.142 29.460 -0.471 0.000 1.131 286 W HN 0.354 nan 8.180 nan 0.000 0.530 287 R N 1.026 121.588 120.500 0.104 0.000 2.083 287 R HA -0.191 4.149 4.340 0.000 0.000 0.237 287 R C 1.813 178.153 176.300 0.067 0.000 1.137 287 R CA 2.048 58.218 56.100 0.117 0.000 0.951 287 R CB -0.466 29.866 30.300 0.054 0.000 0.851 287 R HN 0.187 nan 8.270 nan 0.000 0.434 288 E N -0.241 119.928 120.200 -0.052 0.000 2.150 288 E HA -0.201 4.149 4.350 0.000 0.000 0.193 288 E C 1.818 178.228 176.600 -0.317 0.000 0.985 288 E CA 0.967 57.301 56.400 -0.110 0.000 0.814 288 E CB -0.271 29.379 29.700 -0.084 0.000 0.752 288 E HN 0.341 nan 8.360 nan 0.000 0.466 289 F N 1.265 120.810 119.950 -0.674 0.000 2.069 289 F HA -0.265 4.262 4.527 0.000 0.000 0.298 289 F C 1.976 177.499 175.800 -0.461 0.000 1.113 289 F CA 1.486 58.807 58.000 -1.131 0.000 1.214 289 F CB -0.375 37.870 39.000 -1.260 0.000 0.978 289 F HN -0.073 nan 8.300 nan 0.000 0.474 290 Y N 0.694 120.930 120.300 -0.107 0.000 2.242 290 Y HA -0.167 4.383 4.550 0.000 0.000 0.291 290 Y C 2.618 178.498 175.900 -0.035 0.000 1.137 290 Y CA 1.513 59.566 58.100 -0.079 0.000 1.181 290 Y CB -1.136 37.362 38.460 0.065 0.000 0.989 290 Y HN 0.218 nan 8.280 nan 0.000 0.527 291 Q N -0.989 118.913 119.800 0.170 0.000 2.079 291 Q HA -0.189 4.151 4.340 0.000 0.000 0.200 291 Q C 1.944 178.066 176.000 0.204 0.000 0.974 291 Q CA 1.431 57.349 55.803 0.191 0.000 0.840 291 Q CB -0.362 28.499 28.738 0.206 0.000 0.898 291 Q HN 0.707 nan 8.270 nan 0.000 0.430 292 H N -0.148 118.901 119.070 -0.036 0.000 2.353 292 H HA -0.092 4.464 4.556 0.000 0.000 0.300 292 H C 2.150 177.467 175.328 -0.019 0.000 1.090 292 H CA 0.613 56.619 56.048 -0.070 0.000 1.327 292 H CB 0.158 29.969 29.762 0.081 0.000 1.383 292 H HN 0.298 nan 8.280 nan 0.000 0.508 293 A N 1.207 124.067 122.820 0.068 0.000 1.908 293 A HA -0.170 4.150 4.320 0.000 0.000 0.218 293 A C 2.329 180.062 177.584 0.249 0.000 1.181 293 A CA 1.342 53.465 52.037 0.143 0.000 0.627 293 A CB -0.658 18.302 19.000 -0.066 0.000 0.818 293 A HN 0.297 nan 8.150 nan 0.000 0.445 294 L N -1.751 119.590 121.223 0.195 0.000 2.141 294 L HA -0.103 4.237 4.340 0.000 0.000 0.209 294 L C 2.245 179.207 176.870 0.154 0.000 1.094 294 L CA 2.150 57.110 54.840 0.199 0.000 0.763 294 L CB -0.841 41.326 42.059 0.180 0.000 0.908 294 L HN 0.538 nan 8.230 nan 0.000 0.437 295 Y N -0.778 119.504 120.300 -0.031 0.000 2.163 295 Y HA -0.253 4.297 4.550 0.000 0.000 0.288 295 Y C 2.650 178.427 175.900 -0.205 0.000 1.136 295 Y CA 2.112 60.134 58.100 -0.131 0.000 1.147 295 Y CB -0.242 38.040 38.460 -0.297 0.000 0.987 295 Y HN 0.330 nan 8.280 nan 0.000 0.509 296 H N -1.418 117.613 119.070 -0.066 0.000 2.428 296 H HA 0.017 4.573 4.556 0.000 0.000 0.296 296 H C -0.186 174.719 175.328 -0.704 0.000 1.062 296 H CA 1.107 56.861 56.048 -0.489 0.000 1.350 296 H CB -0.224 29.084 29.762 -0.758 0.000 1.403 296 H HN 0.262 nan 8.280 nan 0.000 0.533 297 F N 1.329 121.393 119.950 0.190 0.000 2.531 297 F HA 0.273 4.800 4.527 0.000 0.000 0.333 297 F C -1.673 174.228 175.800 0.168 0.000 1.292 297 F CA -2.626 55.493 58.000 0.199 0.000 1.184 297 F CB 1.278 40.425 39.000 0.244 0.000 1.426 297 F HN -0.082 nan 8.300 nan 0.000 0.559 298 P HA -0.212 nan 4.420 nan 0.000 0.220 298 P C 1.548 178.961 177.300 0.189 0.000 1.144 298 P CA 1.589 64.783 63.100 0.157 0.000 0.800 298 P CB 0.131 31.873 31.700 0.069 0.000 0.772 299 S N -0.524 115.310 115.700 0.224 0.000 2.469 299 S HA -0.092 4.378 4.470 0.000 0.000 0.238 299 S C 2.050 176.787 174.600 0.229 0.000 0.998 299 S CA 0.512 58.820 58.200 0.180 0.000 0.957 299 S CB -1.632 61.639 63.200 0.119 0.000 0.764 299 S HN 0.092 nan 8.310 nan 0.000 0.514 300 L N 1.072 122.488 121.223 0.321 0.000 2.129 300 L HA -0.128 4.213 4.340 0.000 0.000 0.212 300 L C 3.086 180.117 176.870 0.269 0.000 1.087 300 L CA 1.278 56.316 54.840 0.331 0.000 0.757 300 L CB -0.785 41.460 42.059 0.311 0.000 0.896 300 L HN 0.509 nan 8.230 nan 0.000 0.434 301 A N -0.659 122.288 122.820 0.211 0.000 2.070 301 A HA -0.190 4.130 4.320 0.000 0.000 0.220 301 A C 1.727 179.396 177.584 0.140 0.000 1.159 301 A CA 1.614 53.754 52.037 0.172 0.000 0.656 301 A CB -0.348 18.733 19.000 0.135 0.000 0.800 301 A HN 0.386 nan 8.150 nan 0.000 0.453 302 D N -0.879 119.598 120.400 0.128 0.000 2.355 302 D HA 0.327 4.967 4.640 0.000 0.000 0.218 302 D C 1.137 177.464 176.300 0.045 0.000 1.004 302 D CA 1.297 55.338 54.000 0.068 0.000 0.880 302 D CB 0.356 41.189 40.800 0.055 0.000 0.911 302 D HN 0.575 nan 8.370 nan 0.000 0.528 303 G N 0.444 109.334 108.800 0.150 0.000 2.293 303 G HA2 -0.089 3.871 3.960 0.000 0.000 0.282 303 G HA3 -0.089 3.871 3.960 0.000 0.000 0.282 303 G C -2.813 172.337 174.900 0.418 0.000 1.299 303 G CA -1.192 43.991 45.100 0.138 0.000 1.018 303 G HN -0.182 nan 8.290 nan 0.000 0.478 304 P HA 0.111 nan 4.420 nan 0.000 0.257 304 P C -0.062 177.479 177.300 0.402 0.000 1.162 304 P CA 0.506 63.953 63.100 0.577 0.000 0.762 304 P CB 0.176 32.238 31.700 0.602 0.000 0.753 305 Y N 5.495 125.953 120.300 0.263 0.000 2.177 305 Y HA 0.059 4.609 4.550 0.000 0.000 0.291 305 Y C 0.982 176.985 175.900 0.171 0.000 1.117 305 Y CA 0.983 59.184 58.100 0.168 0.000 1.114 305 Y CB 0.052 38.565 38.460 0.089 0.000 1.017 305 Y HN 0.151 nan 8.280 nan 0.000 0.505 306 R N 1.181 122.002 120.500 0.535 0.000 2.484 306 R HA 0.011 4.351 4.340 0.000 0.000 0.293 306 R C 1.704 178.193 176.300 0.314 0.000 1.023 306 R CA 0.547 56.903 56.100 0.426 0.000 1.037 306 R CB 0.493 31.060 30.300 0.445 0.000 0.951 306 R HN 0.495 nan 8.270 nan 0.000 0.418 307 S N 3.646 119.456 115.700 0.184 0.000 2.400 307 S HA -0.282 4.188 4.470 0.000 0.000 0.234 307 S C 1.780 176.427 174.600 0.078 0.000 1.049 307 S CA 1.598 59.861 58.200 0.104 0.000 1.039 307 S CB -0.352 62.880 63.200 0.053 0.000 0.856 307 S HN 0.726 nan 8.310 nan 0.000 0.465 308 L N -0.499 120.746 121.223 0.036 0.000 2.017 308 L HA -0.019 4.321 4.340 0.000 0.000 0.208 308 L C 2.366 179.146 176.870 -0.149 0.000 1.073 308 L CA 1.703 56.462 54.840 -0.135 0.000 0.745 308 L CB -0.379 41.513 42.059 -0.279 0.000 0.894 308 L HN 0.409 nan 8.230 nan 0.000 0.432 309 W N 0.016 121.438 121.300 0.203 0.000 2.595 309 W HA -0.077 4.583 4.660 0.000 0.000 0.257 309 W C 2.506 179.197 176.519 0.286 0.000 1.267 309 W CA 0.409 57.918 57.345 0.273 0.000 1.300 309 W CB -0.093 29.562 29.460 0.325 0.000 1.120 309 W HN 0.254 nan 8.180 nan 0.000 0.618 310 Q N -0.103 119.908 119.800 0.350 0.000 2.369 310 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 310 Q C 1.599 177.701 176.000 0.169 0.000 0.963 310 Q CA 0.946 56.897 55.803 0.246 0.000 0.894 310 Q CB -0.074 28.754 28.738 0.150 0.000 0.965 310 Q HN 0.484 nan 8.270 nan 0.000 0.475 311 Q N -0.946 118.919 119.800 0.109 0.000 2.217 311 Q HA 0.112 4.452 4.340 0.000 0.000 0.217 311 Q C -0.469 175.490 176.000 -0.068 0.000 0.844 311 Q CA -0.462 55.346 55.803 0.007 0.000 0.957 311 Q CB 0.516 29.217 28.738 -0.061 0.000 1.127 311 Q HN 0.175 nan 8.270 nan 0.000 0.503 312 F N 5.160 124.993 119.950 -0.195 0.000 2.612 312 F HA 0.001 4.528 4.527 0.000 0.000 0.389 312 F C -1.759 173.726 175.800 -0.526 0.000 1.055 312 F CA -1.777 55.941 58.000 -0.470 0.000 1.232 312 F CB 0.791 39.413 39.000 -0.630 0.000 1.044 312 F HN -0.041 nan 8.300 nan 0.000 0.560 313 P HA -0.015 nan 4.420 nan 0.000 0.244 313 P C -1.137 175.873 177.300 -0.484 0.000 1.769 313 P CA -0.147 62.592 63.100 -0.601 0.000 1.102 313 P CB -0.529 30.835 31.700 -0.560 0.000 1.937 314 W N 1.358 122.677 121.300 0.031 0.000 2.223 314 W HA 0.098 4.758 4.660 0.000 0.000 0.334 314 W C 1.884 178.419 176.519 0.026 0.000 1.334 314 W CA -0.148 57.290 57.345 0.154 0.000 1.246 314 W CB 0.490 30.039 29.460 0.149 0.000 1.184 314 W HN 0.414 nan 8.180 nan 0.000 0.563 315 E N 2.089 122.459 120.200 0.283 0.000 2.072 315 E HA -0.291 4.059 4.350 0.000 0.000 0.191 315 E C 0.424 177.096 176.600 0.120 0.000 0.985 315 E CA 1.134 57.618 56.400 0.141 0.000 0.801 315 E CB -0.081 29.695 29.700 0.127 0.000 0.750 315 E HN 0.521 nan 8.360 nan 0.000 0.452 316 N N 1.299 120.081 118.700 0.137 0.000 2.725 316 N HA -0.196 4.544 4.740 0.000 0.000 0.251 316 N C -1.134 174.395 175.510 0.031 0.000 1.031 316 N CA 0.821 53.895 53.050 0.041 0.000 0.720 316 N CB -1.372 37.119 38.487 0.006 0.000 0.930 316 N HN 0.269 nan 8.380 nan 0.000 0.543 317 R N 0.769 121.305 120.500 0.059 0.000 2.288 317 R HA 0.011 4.352 4.340 0.000 0.000 0.330 317 R C 1.362 177.714 176.300 0.086 0.000 1.069 317 R CA -0.301 55.837 56.100 0.064 0.000 0.941 317 R CB 0.668 31.011 30.300 0.071 0.000 0.998 317 R HN 0.157 nan 8.270 nan 0.000 0.452 318 E N 3.387 123.634 120.200 0.079 0.000 2.130 318 E HA -0.228 4.122 4.350 0.000 0.000 0.196 318 E C 1.656 178.349 176.600 0.155 0.000 0.998 318 E CA 2.060 58.533 56.400 0.122 0.000 0.806 318 E CB 0.065 29.819 29.700 0.089 0.000 0.738 318 E HN 0.723 nan 8.360 nan 0.000 0.459 319 A N 0.096 122.983 122.820 0.111 0.000 1.933 319 A HA -0.148 4.172 4.320 0.000 0.000 0.218 319 A C 2.257 179.913 177.584 0.119 0.000 1.175 319 A CA 1.412 53.510 52.037 0.101 0.000 0.628 319 A CB -0.615 18.433 19.000 0.079 0.000 0.814 319 A HN 0.331 nan 8.150 nan 0.000 0.444 320 L N -2.301 119.003 121.223 0.135 0.000 2.109 320 L HA -0.098 4.242 4.340 0.000 0.000 0.207 320 L C 2.468 179.459 176.870 0.201 0.000 1.086 320 L CA 1.290 56.222 54.840 0.153 0.000 0.760 320 L CB -0.540 41.592 42.059 0.123 0.000 0.910 320 L HN 0.481 nan 8.230 nan 0.000 0.437 321 F N 1.128 121.107 119.950 0.049 0.000 2.134 321 F HA -0.206 4.321 4.527 0.000 0.000 0.299 321 F C 2.474 178.342 175.800 0.113 0.000 1.097 321 F CA 1.905 59.932 58.000 0.046 0.000 1.264 321 F CB -0.558 38.424 39.000 -0.030 0.000 1.001 321 F HN -0.072 nan 8.300 nan 0.000 0.479 322 T N 0.721 115.283 114.554 0.013 0.000 2.684 322 T HA -0.212 4.138 4.350 0.000 0.000 0.267 322 T C 2.230 176.874 174.700 -0.092 0.000 1.036 322 T CA 1.598 63.645 62.100 -0.088 0.000 1.148 322 T CB -0.911 67.978 68.868 0.035 0.000 0.863 322 T HN 0.367 nan 8.240 nan 0.000 0.436 323 A N 0.283 123.113 122.820 0.017 0.000 1.933 323 A HA -0.117 4.203 4.320 0.000 0.000 0.218 323 A C 2.036 179.648 177.584 0.048 0.000 1.175 323 A CA 1.596 53.659 52.037 0.044 0.000 0.628 323 A CB -1.101 17.964 19.000 0.109 0.000 0.814 323 A HN 0.704 nan 8.150 nan 0.000 0.444 324 W N 1.607 122.824 121.300 -0.138 0.000 2.354 324 W HA -0.235 4.425 4.660 0.000 0.000 0.315 324 W C 2.683 179.004 176.519 -0.329 0.000 1.206 324 W CA 3.196 60.453 57.345 -0.147 0.000 1.290 324 W CB -0.675 28.715 29.460 -0.117 0.000 1.152 324 W HN 0.411 nan 8.180 nan 0.000 0.489 325 T N -1.228 113.007 114.554 -0.531 0.000 2.881 325 T HA -0.240 4.110 4.350 0.000 0.000 0.270 325 T C 1.390 175.828 174.700 -0.436 0.000 1.068 325 T CA 1.697 63.229 62.100 -0.947 0.000 1.131 325 T CB -0.515 67.648 68.868 -1.175 0.000 0.871 325 T HN 0.426 nan 8.240 nan 0.000 0.479 326 Q N 0.754 120.404 119.800 -0.251 0.000 2.246 326 Q HA 0.595 4.935 4.340 0.000 0.000 0.202 326 Q C 1.000 176.944 176.000 -0.093 0.000 0.883 326 Q CA 0.138 55.873 55.803 -0.115 0.000 0.952 326 Q CB 0.185 28.890 28.738 -0.056 0.000 1.078 326 Q HN 0.671 nan 8.270 nan 0.000 0.493 327 A N 1.467 124.197 122.820 -0.150 0.000 2.791 327 A HA -0.194 4.126 4.320 0.000 0.000 0.292 327 A C 0.384 177.959 177.584 -0.015 0.000 1.487 327 A CA 0.745 52.727 52.037 -0.092 0.000 0.760 327 A CB -1.153 17.813 19.000 -0.058 0.000 1.031 327 A HN 0.377 nan 8.150 nan 0.000 0.503 328 Q N -0.672 119.112 119.800 -0.027 0.000 2.233 328 Q HA 0.151 4.491 4.340 0.000 0.000 0.340 328 Q C 1.375 177.363 176.000 -0.020 0.000 0.899 328 Q CA 0.663 56.438 55.803 -0.047 0.000 1.139 328 Q CB 0.044 28.762 28.738 -0.034 0.000 1.273 328 Q HN 1.078 nan 8.270 nan 0.000 0.431 329 T N -4.186 110.392 114.554 0.041 0.000 3.043 329 T HA 0.149 4.499 4.350 0.000 0.000 0.263 329 T C 1.431 176.252 174.700 0.201 0.000 1.094 329 T CA 1.020 63.230 62.100 0.185 0.000 1.127 329 T CB 0.250 69.244 68.868 0.210 0.000 0.905 329 T HN 0.449 nan 8.240 nan 0.000 0.490 330 G N 0.369 109.149 108.800 -0.033 0.000 2.176 330 G HA2 -0.232 3.728 3.960 0.000 0.000 0.253 330 G HA3 -0.232 3.728 3.960 0.000 0.000 0.253 330 G C -0.210 174.725 174.900 0.058 0.000 0.979 330 G CA 0.044 45.056 45.100 -0.147 0.000 0.641 330 G HN 0.605 nan 8.290 nan 0.000 0.530 331 Y N 0.537 120.871 120.300 0.056 0.000 2.491 331 Y HA 0.455 5.005 4.550 0.000 0.000 0.334 331 Y C -0.956 174.987 175.900 0.072 0.000 0.969 331 Y CA -2.014 56.098 58.100 0.020 0.000 1.241 331 Y CB 1.695 40.018 38.460 -0.228 0.000 1.105 331 Y HN -0.024 nan 8.280 nan 0.000 0.503 332 P HA -0.291 nan 4.420 nan 0.000 0.217 332 P C 1.853 179.229 177.300 0.126 0.000 1.162 332 P CA 1.507 64.688 63.100 0.136 0.000 0.901 332 P CB 0.331 32.041 31.700 0.016 0.000 0.793 333 I N -1.042 119.609 120.570 0.135 0.000 2.286 333 I HA -0.181 3.989 4.170 0.000 0.000 0.248 333 I C 1.945 178.137 176.117 0.124 0.000 1.115 333 I CA 1.559 62.958 61.300 0.164 0.000 1.392 333 I CB -0.727 37.363 38.000 0.150 0.000 1.065 333 I HN -0.225 nan 8.210 nan 0.000 0.418 334 V N 0.646 120.578 119.914 0.030 0.000 2.323 334 V HA -0.230 3.890 4.120 0.000 0.000 0.244 334 V C 2.169 178.232 176.094 -0.051 0.000 1.041 334 V CA 2.070 64.322 62.300 -0.080 0.000 1.025 334 V CB -0.853 30.735 31.823 -0.391 0.000 0.656 334 V HN 0.370 nan 8.190 nan 0.000 0.451 335 D N 0.501 120.909 120.400 0.013 0.000 2.144 335 D HA -0.105 4.535 4.640 0.000 0.000 0.199 335 D C 2.220 178.535 176.300 0.025 0.000 0.984 335 D CA 1.570 55.588 54.000 0.031 0.000 0.834 335 D CB -0.287 40.618 40.800 0.176 0.000 0.955 335 D HN 0.428 nan 8.370 nan 0.000 0.465 336 A N 1.211 124.071 122.820 0.068 0.000 1.902 336 A HA -0.075 4.246 4.320 0.000 0.000 0.217 336 A C 2.343 179.894 177.584 -0.055 0.000 1.181 336 A CA 2.281 54.350 52.037 0.054 0.000 0.623 336 A CB -0.731 18.314 19.000 0.075 0.000 0.818 336 A HN 0.238 nan 8.150 nan 0.000 0.443 337 A N -0.880 121.974 122.820 0.057 0.000 1.902 337 A HA -0.130 4.190 4.320 0.000 0.000 0.217 337 A C 2.132 179.603 177.584 -0.189 0.000 1.181 337 A CA 2.037 54.072 52.037 -0.005 0.000 0.623 337 A CB -0.483 18.543 19.000 0.044 0.000 0.818 337 A HN 0.423 nan 8.150 nan 0.000 0.443 338 M N -0.624 118.861 119.600 -0.192 0.000 2.296 338 M HA -0.047 4.433 4.480 0.000 0.000 0.265 338 M C 2.054 178.214 176.300 -0.233 0.000 1.064 338 M CA 1.093 56.232 55.300 -0.268 0.000 1.109 338 M CB -1.192 31.183 32.600 -0.375 0.000 1.396 338 M HN 0.339 nan 8.290 nan 0.000 0.430 339 R N -0.018 120.369 120.500 -0.188 0.000 2.073 339 R HA -0.110 4.230 4.340 0.000 0.000 0.229 339 R C 2.085 178.201 176.300 -0.308 0.000 1.120 339 R CA 1.105 57.125 56.100 -0.133 0.000 0.967 339 R CB -0.704 29.612 30.300 0.026 0.000 0.862 339 R HN 0.567 nan 8.270 nan 0.000 0.436 340 Q N 0.839 120.222 119.800 -0.695 0.000 2.096 340 Q HA -0.181 4.159 4.340 0.000 0.000 0.204 340 Q C 2.095 177.779 176.000 -0.527 0.000 0.982 340 Q CA 1.439 56.516 55.803 -1.210 0.000 0.850 340 Q CB -0.103 27.761 28.738 -1.457 0.000 0.901 340 Q HN 0.155 nan 8.270 nan 0.000 0.422 341 L N 0.701 121.692 121.223 -0.386 0.000 1.976 341 L HA -0.173 4.167 4.340 0.000 0.000 0.209 341 L C 2.492 179.248 176.870 -0.190 0.000 1.071 341 L CA 2.791 57.453 54.840 -0.295 0.000 0.746 341 L CB -1.158 40.682 42.059 -0.364 0.000 0.890 341 L HN 0.482 nan 8.230 nan 0.000 0.432 342 T N -3.833 110.584 114.554 -0.228 0.000 2.951 342 T HA -0.108 4.242 4.350 0.000 0.000 0.268 342 T C 1.605 176.363 174.700 0.097 0.000 1.073 342 T CA 1.375 63.378 62.100 -0.161 0.000 1.134 342 T CB -0.501 68.226 68.868 -0.235 0.000 0.884 342 T HN 0.551 nan 8.240 nan 0.000 0.479 343 E N 1.052 121.278 120.200 0.043 0.000 2.250 343 E HA 0.010 4.360 4.350 0.000 0.000 0.192 343 E C 2.067 178.759 176.600 0.153 0.000 0.986 343 E CA 1.338 57.790 56.400 0.085 0.000 0.849 343 E CB 0.146 29.908 29.700 0.104 0.000 0.797 343 E HN 0.782 nan 8.360 nan 0.000 0.482 344 T N -3.954 110.729 114.554 0.216 0.000 3.043 344 T HA 0.307 4.657 4.350 0.000 0.000 0.272 344 T C 1.410 176.382 174.700 0.454 0.000 0.990 344 T CA 0.291 62.597 62.100 0.342 0.000 0.897 344 T CB 0.926 69.930 68.868 0.226 0.000 1.111 344 T HN 0.192 nan 8.240 nan 0.000 0.529 345 G N 0.728 109.712 108.800 0.307 0.000 2.168 345 G HA2 -0.247 3.713 3.960 0.000 0.000 0.257 345 G HA3 -0.247 3.713 3.960 0.000 0.000 0.257 345 G C -0.244 174.718 174.900 0.103 0.000 0.997 345 G CA 0.377 45.504 45.100 0.045 0.000 0.708 345 G HN 0.770 nan 8.290 nan 0.000 0.520 346 W N -0.790 120.445 121.300 -0.108 0.000 3.167 346 W HA 0.768 5.428 4.660 0.000 0.000 0.324 346 W C -0.849 175.563 176.519 -0.178 0.000 1.230 346 W CA -1.230 56.038 57.345 -0.127 0.000 1.184 346 W CB 1.212 30.649 29.460 -0.039 0.000 1.414 346 W HN 0.181 nan 8.180 nan 0.000 0.551 347 M N 4.555 123.589 119.600 -0.944 0.000 2.378 347 M HA 0.247 4.727 4.480 0.000 0.000 0.289 347 M C -1.189 174.314 176.300 -1.329 0.000 1.136 347 M CA -0.860 53.951 55.300 -0.815 0.000 0.917 347 M CB 1.746 33.990 32.600 -0.593 0.000 1.669 347 M HN 0.695 nan 8.290 nan 0.000 0.461 348 H N 3.287 121.808 119.070 -0.916 0.000 2.897 348 H HA 0.034 4.590 4.556 0.000 0.000 0.347 348 H C 0.945 175.937 175.328 -0.559 0.000 1.068 348 H CA 1.427 57.058 56.048 -0.694 0.000 1.426 348 H CB 0.764 30.364 29.762 -0.270 0.000 1.410 348 H HN 0.781 nan 8.280 nan 0.000 0.597 349 N N 3.077 121.323 118.700 -0.757 0.000 2.149 349 N HA -0.252 4.488 4.740 0.000 0.000 0.188 349 N C 1.934 177.248 175.510 -0.326 0.000 1.019 349 N CA 1.236 53.978 53.050 -0.513 0.000 0.857 349 N CB 0.005 38.184 38.487 -0.513 0.000 0.997 349 N HN 0.606 nan 8.380 nan 0.000 0.426 350 R N 1.126 121.555 120.500 -0.119 0.000 2.091 350 R HA -0.018 4.322 4.340 0.000 0.000 0.238 350 R C 2.333 178.550 176.300 -0.138 0.000 1.136 350 R CA 1.643 57.640 56.100 -0.171 0.000 0.959 350 R CB -1.176 28.971 30.300 -0.255 0.000 0.856 350 R HN 0.349 nan 8.270 nan 0.000 0.437 351 C N 0.045 119.269 119.300 -0.126 0.000 2.450 351 C HA 0.109 4.569 4.460 0.000 0.000 0.279 351 C C 2.464 177.404 174.990 -0.085 0.000 1.335 351 C CA 0.574 59.523 59.018 -0.116 0.000 1.749 351 C CB -0.835 26.817 27.740 -0.146 0.000 1.963 351 C HN 0.502 nan 8.230 nan 0.000 0.501 352 R N 0.472 120.886 120.500 -0.144 0.000 2.096 352 R HA -0.086 4.254 4.340 0.000 0.000 0.235 352 R C 2.212 178.391 176.300 -0.201 0.000 1.127 352 R CA 1.336 57.399 56.100 -0.061 0.000 0.968 352 R CB -0.306 29.922 30.300 -0.119 0.000 0.861 352 R HN 0.571 nan 8.270 nan 0.000 0.440 353 M N 0.119 119.560 119.600 -0.266 0.000 2.132 353 M HA -0.131 4.349 4.480 0.000 0.000 0.263 353 M C 2.260 178.325 176.300 -0.391 0.000 1.065 353 M CA 1.593 56.677 55.300 -0.360 0.000 1.122 353 M CB -0.240 32.204 32.600 -0.260 0.000 1.365 353 M HN 0.117 nan 8.290 nan 0.000 0.411 354 I N 0.058 120.540 120.570 -0.148 0.000 2.179 354 I HA -0.234 3.937 4.170 0.000 0.000 0.242 354 I C 2.424 178.559 176.117 0.030 0.000 1.088 354 I CA 1.418 62.711 61.300 -0.012 0.000 1.357 354 I CB -0.507 37.552 38.000 0.099 0.000 1.051 354 I HN 0.223 nan 8.210 nan 0.000 0.409 355 V N -1.064 118.906 119.914 0.094 0.000 2.667 355 V HA -0.021 4.099 4.120 0.000 0.000 0.252 355 V C 2.423 178.733 176.094 0.360 0.000 1.065 355 V CA 1.394 63.902 62.300 0.347 0.000 1.083 355 V CB -0.917 31.160 31.823 0.424 0.000 0.692 355 V HN 0.300 nan 8.190 nan 0.000 0.468 356 A N 0.452 123.210 122.820 -0.104 0.000 1.897 356 A HA -0.098 4.222 4.320 0.000 0.000 0.215 356 A C 2.541 179.955 177.584 -0.284 0.000 1.181 356 A CA 1.908 53.641 52.037 -0.506 0.000 0.620 356 A CB -0.887 17.341 19.000 -1.286 0.000 0.821 356 A HN 0.610 nan 8.150 nan 0.000 0.443 357 S N -1.439 114.063 115.700 -0.329 0.000 2.368 357 S HA -0.152 4.318 4.470 0.000 0.000 0.224 357 S C 1.770 176.291 174.600 -0.131 0.000 1.029 357 S CA 1.538 59.538 58.200 -0.334 0.000 0.988 357 S CB -0.531 62.350 63.200 -0.531 0.000 0.838 357 S HN 0.523 nan 8.310 nan 0.000 0.462 358 F N 1.668 121.544 119.950 -0.123 0.000 2.134 358 F HA -0.008 4.519 4.527 0.000 0.000 0.299 358 F C 1.866 177.612 175.800 -0.090 0.000 1.097 358 F CA 1.465 59.428 58.000 -0.062 0.000 1.264 358 F CB -0.541 38.473 39.000 0.024 0.000 1.001 358 F HN 0.303 nan 8.300 nan 0.000 0.479 359 L N 0.209 121.390 121.223 -0.071 0.000 2.017 359 L HA -0.153 4.188 4.340 0.000 0.000 0.208 359 L C 2.637 179.372 176.870 -0.225 0.000 1.073 359 L CA 2.649 57.266 54.840 -0.372 0.000 0.745 359 L CB -1.348 40.276 42.059 -0.725 0.000 0.894 359 L HN 0.407 nan 8.230 nan 0.000 0.432 360 T N -3.578 110.909 114.554 -0.112 0.000 2.812 360 T HA -0.083 4.267 4.350 0.000 0.000 0.264 360 T C 1.851 176.597 174.700 0.076 0.000 1.042 360 T CA 0.900 63.032 62.100 0.054 0.000 1.140 360 T CB -0.240 68.658 68.868 0.049 0.000 0.870 360 T HN 0.209 nan 8.240 nan 0.000 0.445 361 K N 1.279 121.521 120.400 -0.263 0.000 2.099 361 K HA 0.145 4.465 4.320 0.000 0.000 0.203 361 K C 1.943 178.398 176.600 -0.242 0.000 1.047 361 K CA 1.299 57.265 56.287 -0.535 0.000 0.963 361 K CB -0.521 31.618 32.500 -0.602 0.000 0.759 361 K HN 0.410 nan 8.250 nan 0.000 0.451 362 D N 0.972 121.174 120.400 -0.330 0.000 2.120 362 D HA 0.013 4.654 4.640 0.000 0.000 0.202 362 D C 1.856 177.954 176.300 -0.338 0.000 0.972 362 D CA 0.726 54.476 54.000 -0.417 0.000 0.837 362 D CB 0.082 40.296 40.800 -0.976 0.000 0.989 362 D HN -0.007 nan 8.370 nan 0.000 0.469 363 L N 0.296 121.293 121.223 -0.375 0.000 2.477 363 L HA 0.232 4.572 4.340 0.000 0.000 0.220 363 L C 0.218 177.111 176.870 0.038 0.000 1.106 363 L CA -0.014 54.727 54.840 -0.164 0.000 0.851 363 L CB -0.021 41.932 42.059 -0.177 0.000 0.994 363 L HN 0.067 nan 8.230 nan 0.000 0.462 364 I N 1.062 121.724 120.570 0.152 0.000 6.992 364 I HA -0.270 3.900 4.170 0.000 0.000 0.126 364 I C -0.436 175.959 176.117 0.464 0.000 1.809 364 I CA 0.541 62.120 61.300 0.465 0.000 2.121 364 I CB -1.676 36.584 38.000 0.432 0.000 3.531 364 I HN 0.166 nan 8.210 nan 0.000 0.194 365 I N 1.550 122.254 120.570 0.223 0.000 2.474 365 I HA 0.270 4.440 4.170 0.000 0.000 0.294 365 I C 0.721 176.503 176.117 -0.560 0.000 1.005 365 I CA -0.682 60.581 61.300 -0.061 0.000 1.113 365 I CB 1.583 39.475 38.000 -0.180 0.000 1.289 365 I HN 0.099 nan 8.210 nan 0.000 0.436 366 D N 7.012 126.853 120.400 -0.932 0.000 2.662 366 D HA -0.150 4.490 4.640 0.000 0.000 0.233 366 D C 1.194 176.767 176.300 -1.210 0.000 1.129 366 D CA 0.259 53.178 54.000 -1.801 0.000 0.851 366 D CB 0.669 40.775 40.800 -1.157 0.000 1.152 366 D HN 0.571 nan 8.370 nan 0.000 0.507 367 W N 4.846 125.480 121.300 -1.110 0.000 2.387 367 W HA -0.140 4.520 4.660 0.000 0.000 0.272 367 W C 1.228 177.292 176.519 -0.758 0.000 1.224 367 W CA -0.192 56.740 57.345 -0.689 0.000 1.210 367 W CB -0.668 28.627 29.460 -0.274 0.000 1.125 367 W HN 0.391 nan 8.180 nan 0.000 0.572 368 R N 0.449 120.300 120.500 -1.082 0.000 2.193 368 R HA -0.092 4.248 4.340 0.000 0.000 0.229 368 R C 2.407 178.329 176.300 -0.629 0.000 1.110 368 R CA 1.093 56.669 56.100 -0.873 0.000 0.988 368 R CB -0.174 29.578 30.300 -0.913 0.000 0.871 368 R HN 0.012 nan 8.270 nan 0.000 0.458 369 R N -0.559 119.528 120.500 -0.689 0.000 2.090 369 R HA -0.002 4.338 4.340 0.000 0.000 0.228 369 R C 2.189 178.254 176.300 -0.392 0.000 1.110 369 R CA 1.344 57.070 56.100 -0.623 0.000 0.973 369 R CB -0.765 28.914 30.300 -1.035 0.000 0.869 369 R HN 0.317 nan 8.270 nan 0.000 0.440 370 G N 0.895 109.263 108.800 -0.720 0.000 2.403 370 G HA2 -0.258 3.703 3.960 0.000 0.000 0.216 370 G HA3 -0.258 3.703 3.960 0.000 0.000 0.216 370 G C 1.383 175.575 174.900 -1.179 0.000 1.154 370 G CA 0.501 45.029 45.100 -0.955 0.000 0.784 370 G HN 0.415 nan 8.290 nan 0.000 0.538 371 E N 0.114 119.396 120.200 -1.530 0.000 2.058 371 E HA -0.268 4.082 4.350 0.000 0.000 0.194 371 E C 2.332 178.795 176.600 -0.228 0.000 0.997 371 E CA 1.496 57.296 56.400 -1.001 0.000 0.801 371 E CB -0.243 29.190 29.700 -0.445 0.000 0.746 371 E HN 0.608 nan 8.360 nan 0.000 0.450 372 Q N -0.551 119.158 119.800 -0.151 0.000 2.050 372 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 372 Q C 2.070 178.197 176.000 0.211 0.000 0.980 372 Q CA 1.607 57.427 55.803 0.030 0.000 0.840 372 Q CB -0.271 28.468 28.738 0.002 0.000 0.898 372 Q HN 0.374 nan 8.270 nan 0.000 0.424 373 F N 0.086 120.174 119.950 0.230 0.000 2.161 373 F HA -0.216 4.311 4.527 0.000 0.000 0.300 373 F C 1.580 177.702 175.800 0.536 0.000 1.089 373 F CA 1.154 59.418 58.000 0.440 0.000 1.282 373 F CB -0.228 39.162 39.000 0.650 0.000 1.010 373 F HN 0.120 nan 8.300 nan 0.000 0.485 374 F N -0.093 120.053 119.950 0.326 0.000 2.102 374 F HA -0.246 4.281 4.527 0.000 0.000 0.298 374 F C 2.342 178.182 175.800 0.066 0.000 1.105 374 F CA 1.215 59.361 58.000 0.244 0.000 1.239 374 F CB -0.974 38.299 39.000 0.455 0.000 0.991 374 F HN -0.044 nan 8.300 nan 0.000 0.474 375 M N -0.603 119.136 119.600 0.232 0.000 2.358 375 M HA -0.181 4.299 4.480 0.000 0.000 0.264 375 M C 1.755 178.027 176.300 -0.046 0.000 1.064 375 M CA 1.285 56.630 55.300 0.075 0.000 1.093 375 M CB -1.378 31.260 32.600 0.063 0.000 1.401 375 M HN 0.274 nan 8.290 nan 0.000 0.440 376 Q N -1.362 118.373 119.800 -0.109 0.000 2.472 376 Q HA -0.067 4.273 4.340 0.000 0.000 0.208 376 Q C 1.129 176.733 176.000 -0.661 0.000 0.958 376 Q CA 0.625 56.233 55.803 -0.326 0.000 0.932 376 Q CB 0.291 28.829 28.738 -0.334 0.000 1.007 376 Q HN 0.619 nan 8.270 nan 0.000 0.508 377 H N -1.807 117.098 119.070 -0.275 0.000 3.583 377 H HA 0.198 4.754 4.556 0.000 0.000 0.251 377 H C -0.012 175.146 175.328 -0.283 0.000 1.060 377 H CA -0.122 55.742 56.048 -0.306 0.000 1.159 377 H CB 0.895 30.412 29.762 -0.408 0.000 1.496 377 H HN 0.070 nan 8.280 nan 0.000 0.540 378 L N 2.056 123.197 121.223 -0.137 0.000 2.410 378 L HA 0.003 4.343 4.340 0.000 0.000 0.273 378 L C 1.757 178.561 176.870 -0.109 0.000 1.144 378 L CA -0.017 54.740 54.840 -0.139 0.000 0.863 378 L CB 1.743 43.726 42.059 -0.128 0.000 1.140 378 L HN 0.004 nan 8.230 nan 0.000 0.463 379 V N 2.792 122.661 119.914 -0.075 0.000 2.626 379 V HA -0.190 3.931 4.120 0.000 0.000 0.252 379 V C 1.384 177.475 176.094 -0.006 0.000 1.067 379 V CA 2.254 64.528 62.300 -0.042 0.000 1.081 379 V CB -0.264 31.579 31.823 0.033 0.000 0.686 379 V HN 1.063 nan 8.190 nan 0.000 0.468 380 D N -0.495 119.905 120.400 -0.001 0.000 2.424 380 D HA 0.191 4.831 4.640 0.000 0.000 0.220 380 D C 1.007 177.275 176.300 -0.053 0.000 1.150 380 D CA 0.247 54.230 54.000 -0.027 0.000 0.831 380 D CB -0.526 40.292 40.800 0.030 0.000 0.981 380 D HN 0.356 nan 8.370 nan 0.000 0.500 381 G N 0.661 109.434 108.800 -0.045 0.000 2.138 381 G HA2 0.205 4.165 3.960 0.000 0.000 0.256 381 G HA3 0.205 4.165 3.960 0.000 0.000 0.256 381 G C -0.703 174.167 174.900 -0.049 0.000 1.141 381 G CA 0.028 45.115 45.100 -0.022 0.000 0.967 381 G HN 0.303 nan 8.290 nan 0.000 0.435 382 D N 1.749 122.138 120.400 -0.018 0.000 2.788 382 D HA 0.230 4.870 4.640 0.000 0.000 0.247 382 D C 1.123 177.434 176.300 0.018 0.000 1.236 382 D CA -0.837 53.145 54.000 -0.030 0.000 0.898 382 D CB 1.373 42.148 40.800 -0.041 0.000 1.401 382 D HN 0.112 nan 8.370 nan 0.000 0.549 383 L N 4.725 125.966 121.223 0.030 0.000 1.997 383 L HA -0.108 4.232 4.340 0.000 0.000 0.216 383 L C 1.989 178.897 176.870 0.062 0.000 1.074 383 L CA 2.840 57.716 54.840 0.061 0.000 0.763 383 L CB -0.883 41.219 42.059 0.071 0.000 0.890 383 L HN 0.631 nan 8.230 nan 0.000 0.434 384 A N -0.738 122.121 122.820 0.066 0.000 1.865 384 A HA -0.143 4.177 4.320 0.000 0.000 0.217 384 A C 2.423 179.999 177.584 -0.013 0.000 1.191 384 A CA 2.432 54.516 52.037 0.077 0.000 0.623 384 A CB -1.355 17.721 19.000 0.127 0.000 0.826 384 A HN 0.633 nan 8.150 nan 0.000 0.444 385 A N -0.411 122.391 122.820 -0.030 0.000 1.929 385 A HA -0.147 4.173 4.320 0.000 0.000 0.216 385 A C 1.972 179.418 177.584 -0.229 0.000 1.176 385 A CA 2.003 53.943 52.037 -0.161 0.000 0.628 385 A CB -0.673 18.294 19.000 -0.054 0.000 0.816 385 A HN 0.617 nan 8.150 nan 0.000 0.444 386 N N 0.381 119.052 118.700 -0.048 0.000 2.171 386 N HA -0.153 4.587 4.740 0.000 0.000 0.184 386 N C 1.735 177.320 175.510 0.126 0.000 1.021 386 N CA 1.614 54.723 53.050 0.097 0.000 0.854 386 N CB -0.368 38.248 38.487 0.215 0.000 0.994 386 N HN 0.526 nan 8.380 nan 0.000 0.426 387 N N -0.150 118.586 118.700 0.059 0.000 2.142 387 N HA -0.103 4.637 4.740 0.000 0.000 0.186 387 N C 1.732 177.156 175.510 -0.144 0.000 1.023 387 N CA 1.387 54.476 53.050 0.065 0.000 0.852 387 N CB -0.434 38.120 38.487 0.111 0.000 0.998 387 N HN 0.366 nan 8.380 nan 0.000 0.424 388 G N 0.039 108.633 108.800 -0.343 0.000 2.446 388 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 388 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 388 G C 1.539 176.077 174.900 -0.604 0.000 1.168 388 G CA 1.105 45.788 45.100 -0.694 0.000 0.771 388 G HN 0.465 nan 8.290 nan 0.000 0.551 389 G N -0.222 108.217 108.800 -0.602 0.000 2.418 389 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 389 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 389 G C 1.605 176.215 174.900 -0.484 0.000 1.158 389 G CA 0.774 45.571 45.100 -0.504 0.000 0.771 389 G HN 0.498 nan 8.290 nan 0.000 0.545 390 W N 0.787 121.840 121.300 -0.412 0.000 2.418 390 W HA 0.063 4.724 4.660 0.000 0.000 0.292 390 W C 3.054 178.982 176.519 -0.986 0.000 1.213 390 W CA 0.919 57.923 57.345 -0.568 0.000 1.283 390 W CB 0.042 29.257 29.460 -0.408 0.000 1.119 390 W HN 0.181 nan 8.180 nan 0.000 0.542 391 Q N -1.406 117.908 119.800 -0.809 0.000 2.167 391 Q HA -0.230 4.110 4.340 0.000 0.000 0.202 391 Q C 1.894 177.574 176.000 -0.533 0.000 0.970 391 Q CA 1.507 56.775 55.803 -0.892 0.000 0.855 391 Q CB -0.823 27.626 28.738 -0.482 0.000 0.911 391 Q HN 0.476 nan 8.270 nan 0.000 0.438 392 W N 1.825 122.833 121.300 -0.488 0.000 2.388 392 W HA -0.203 4.457 4.660 0.000 0.000 0.294 392 W C 2.562 178.810 176.519 -0.451 0.000 1.212 392 W CA 2.097 59.221 57.345 -0.368 0.000 1.271 392 W CB -0.173 29.100 29.460 -0.311 0.000 1.126 392 W HN 0.161 nan 8.180 nan 0.000 0.535 393 S N -0.025 115.437 115.700 -0.396 0.000 2.419 393 S HA -0.100 4.370 4.470 0.000 0.000 0.233 393 S C 1.659 175.887 174.600 -0.620 0.000 1.016 393 S CA 1.262 59.142 58.200 -0.533 0.000 0.974 393 S CB -0.614 62.278 63.200 -0.515 0.000 0.786 393 S HN 0.253 nan 8.310 nan 0.000 0.492 394 A N 0.862 123.265 122.820 -0.695 0.000 2.431 394 A HA 0.580 4.900 4.320 0.000 0.000 0.239 394 A C 1.103 178.054 177.584 -1.056 0.000 1.230 394 A CA 0.523 52.069 52.037 -0.819 0.000 0.928 394 A CB -0.468 18.111 19.000 -0.701 0.000 1.006 394 A HN 1.458 nan 8.150 nan 0.000 0.520 395 S N -0.316 114.906 115.700 -0.796 0.000 3.559 395 S HA -0.227 4.243 4.470 0.000 0.000 0.369 395 S C 0.638 174.908 174.600 -0.550 0.000 0.987 395 S CA 1.058 58.910 58.200 -0.580 0.000 1.187 395 S CB -2.685 60.262 63.200 -0.422 0.000 0.914 395 S HN 1.783 nan 8.310 nan 0.000 0.480 396 S N -1.532 113.798 115.700 -0.616 0.000 2.578 396 S HA 0.628 5.098 4.470 0.000 0.000 0.231 396 S C 1.001 175.605 174.600 0.006 0.000 0.994 396 S CA 0.167 58.130 58.200 -0.394 0.000 0.956 396 S CB 0.839 63.801 63.200 -0.397 0.000 0.870 396 S HN 1.330 nan 8.310 nan 0.000 0.494 397 G N 1.364 110.141 108.800 -0.039 0.000 3.377 397 G HA2 0.605 4.565 3.960 0.000 0.000 0.182 397 G HA3 0.605 4.565 3.960 0.000 0.000 0.182 397 G C -0.623 174.284 174.900 0.011 0.000 1.166 397 G CA -0.831 44.291 45.100 0.036 0.000 0.771 397 G HN 0.252 nan 8.290 nan 0.000 0.701 398 M N 0.947 120.582 119.600 0.057 0.000 2.245 398 M HA 0.340 4.820 4.480 0.000 0.000 0.330 398 M C 0.250 176.729 176.300 0.298 0.000 1.098 398 M CA 0.430 55.809 55.300 0.131 0.000 1.172 398 M CB 0.400 33.101 32.600 0.169 0.000 1.467 398 M HN 0.633 nan 8.290 nan 0.000 0.454 399 D N 1.115 121.705 120.400 0.316 0.000 2.705 399 D HA -0.128 4.512 4.640 0.000 0.000 0.240 399 D C -2.292 174.135 176.300 0.212 0.000 1.137 399 D CA 0.029 54.208 54.000 0.297 0.000 0.677 399 D CB -0.735 40.291 40.800 0.376 0.000 1.049 399 D HN 0.306 nan 8.370 nan 0.000 0.427 400 P HA 0.167 nan 4.420 nan 0.000 0.270 400 P C -0.110 177.231 177.300 0.069 0.000 1.221 400 P CA 0.419 63.568 63.100 0.083 0.000 0.788 400 P CB 0.557 32.319 31.700 0.104 0.000 0.904 401 K N 0.282 120.692 120.400 0.016 0.000 2.672 401 K HA 0.394 4.714 4.320 0.000 0.000 0.295 401 K C -2.634 173.962 176.600 -0.007 0.000 1.042 401 K CA -1.515 54.776 56.287 0.006 0.000 0.869 401 K CB 0.389 32.870 32.500 -0.031 0.000 1.541 401 K HN 0.188 nan 8.250 nan 0.000 0.396 402 P HA 0.012 nan 4.420 nan 0.000 0.271 402 P C -0.532 176.731 177.300 -0.061 0.000 1.238 402 P CA -0.463 62.646 63.100 0.016 0.000 0.794 402 P CB 0.363 32.078 31.700 0.025 0.000 0.959 403 L N 1.330 122.517 121.223 -0.060 0.000 2.464 403 L HA 0.439 4.779 4.340 0.000 0.000 0.224 403 L C 0.181 176.980 176.870 -0.119 0.000 1.219 403 L CA 0.583 55.335 54.840 -0.147 0.000 0.831 403 L CB 0.023 41.975 42.059 -0.180 0.000 1.284 403 L HN 0.274 nan 8.230 nan 0.000 0.522 404 R N 1.233 121.649 120.500 -0.140 0.000 6.815 404 R HA 0.170 4.510 4.340 0.000 0.000 0.270 404 R C -1.782 174.496 176.300 -0.037 0.000 0.799 404 R CA -0.250 55.810 56.100 -0.065 0.000 1.714 404 R CB -0.879 29.411 30.300 -0.017 0.000 1.269 404 R HN 0.536 nan 8.270 nan 0.000 0.811 405 I N 4.995 125.563 120.570 -0.003 0.000 2.352 405 I HA 0.293 4.463 4.170 0.000 0.000 0.290 405 I C 0.727 177.020 176.117 0.293 0.000 1.036 405 I CA -0.499 60.835 61.300 0.057 0.000 1.336 405 I CB 0.357 38.349 38.000 -0.013 0.000 1.407 405 I HN 0.177 nan 8.210 nan 0.000 0.497 406 F N 4.763 124.721 119.950 0.013 0.000 2.506 406 F HA 0.086 4.613 4.527 0.000 0.000 0.351 406 F C 0.988 176.820 175.800 0.053 0.000 1.136 406 F CA -0.323 57.703 58.000 0.044 0.000 1.298 406 F CB 0.143 39.166 39.000 0.038 0.000 1.145 406 F HN 0.467 nan 8.300 nan 0.000 0.593 407 N N 4.301 123.084 118.700 0.138 0.000 2.457 407 N HA 0.237 4.977 4.740 0.000 0.000 0.250 407 N C -2.153 173.328 175.510 -0.049 0.000 0.982 407 N CA -2.046 50.937 53.050 -0.111 0.000 0.941 407 N CB 1.612 40.107 38.487 0.014 0.000 1.120 407 N HN 0.093 nan 8.380 nan 0.000 0.505 408 P HA -0.168 nan 4.420 nan 0.000 0.216 408 P C 0.880 178.238 177.300 0.096 0.000 1.154 408 P CA 1.751 64.903 63.100 0.087 0.000 0.865 408 P CB 0.277 32.076 31.700 0.165 0.000 0.789 409 A N -1.134 121.727 122.820 0.069 0.000 1.930 409 A HA -0.179 4.141 4.320 0.000 0.000 0.217 409 A C 2.517 180.121 177.584 0.034 0.000 1.175 409 A CA 2.131 54.205 52.037 0.061 0.000 0.627 409 A CB -1.583 17.451 19.000 0.057 0.000 0.815 409 A HN 0.194 nan 8.150 nan 0.000 0.443 410 S N -1.176 114.535 115.700 0.017 0.000 2.368 410 S HA -0.168 4.302 4.470 0.000 0.000 0.224 410 S C 2.232 176.813 174.600 -0.031 0.000 1.029 410 S CA 1.427 59.617 58.200 -0.017 0.000 0.988 410 S CB -0.343 62.843 63.200 -0.023 0.000 0.838 410 S HN 0.571 nan 8.310 nan 0.000 0.462 411 Q N 0.908 120.735 119.800 0.045 0.000 2.061 411 Q HA -0.042 4.298 4.340 0.000 0.000 0.204 411 Q C 2.533 178.628 176.000 0.157 0.000 0.984 411 Q CA 1.637 57.538 55.803 0.163 0.000 0.846 411 Q CB -1.002 27.891 28.738 0.258 0.000 0.902 411 Q HN 0.638 nan 8.270 nan 0.000 0.421 412 A N 1.310 124.202 122.820 0.119 0.000 1.908 412 A HA -0.225 4.096 4.320 0.000 0.000 0.218 412 A C 2.151 179.768 177.584 0.054 0.000 1.181 412 A CA 1.905 54.008 52.037 0.110 0.000 0.627 412 A CB -0.477 18.583 19.000 0.100 0.000 0.818 412 A HN 0.310 nan 8.150 nan 0.000 0.445 413 K N -0.320 120.081 120.400 0.001 0.000 2.057 413 K HA -0.143 4.177 4.320 0.000 0.000 0.207 413 K C 2.077 178.616 176.600 -0.103 0.000 1.049 413 K CA 1.662 57.928 56.287 -0.036 0.000 0.931 413 K CB -0.145 32.330 32.500 -0.042 0.000 0.714 413 K HN 0.448 nan 8.250 nan 0.000 0.440 414 K N -0.702 119.553 120.400 -0.240 0.000 2.031 414 K HA -0.074 4.246 4.320 0.000 0.000 0.205 414 K C 1.532 177.854 176.600 -0.463 0.000 1.049 414 K CA 1.331 57.306 56.287 -0.522 0.000 0.939 414 K CB 0.046 31.902 32.500 -1.073 0.000 0.717 414 K HN 0.111 nan 8.250 nan 0.000 0.438 415 F N -0.451 119.575 119.950 0.127 0.000 2.678 415 F HA 0.148 4.675 4.527 0.000 0.000 0.305 415 F C 0.274 176.211 175.800 0.228 0.000 1.090 415 F CA -0.199 57.937 58.000 0.227 0.000 1.272 415 F CB 0.558 39.560 39.000 0.004 0.000 1.060 415 F HN -0.117 nan 8.300 nan 0.000 0.576 416 D N -0.381 120.154 120.400 0.225 0.000 3.100 416 D HA 0.378 5.018 4.640 0.000 0.000 0.350 416 D C 1.333 177.677 176.300 0.074 0.000 1.310 416 D CA 0.195 54.286 54.000 0.152 0.000 0.741 416 D CB 0.204 41.107 40.800 0.172 0.000 1.248 416 D HN 0.021 nan 8.370 nan 0.000 0.527 417 A N -0.286 122.549 122.820 0.026 0.000 2.042 417 A HA -0.171 4.149 4.320 0.000 0.000 0.222 417 A C 1.874 179.450 177.584 -0.013 0.000 1.167 417 A CA 2.224 54.254 52.037 -0.011 0.000 0.649 417 A CB -0.513 18.457 19.000 -0.049 0.000 0.809 417 A HN 0.438 nan 8.150 nan 0.000 0.457 418 T N -5.282 109.261 114.554 -0.019 0.000 3.134 418 T HA 0.534 4.884 4.350 0.000 0.000 0.260 418 T C 0.826 175.511 174.700 -0.025 0.000 1.027 418 T CA 0.908 62.988 62.100 -0.034 0.000 0.913 418 T CB 0.111 68.947 68.868 -0.054 0.000 1.046 418 T HN 1.783 nan 8.240 nan 0.000 0.553 419 A N 0.667 123.496 122.820 0.015 0.000 2.816 419 A HA -0.258 4.062 4.320 0.000 0.000 0.270 419 A C 1.601 179.202 177.584 0.027 0.000 1.413 419 A CA 1.473 53.529 52.037 0.031 0.000 0.866 419 A CB -2.787 16.207 19.000 -0.011 0.000 1.032 419 A HN 0.563 nan 8.150 nan 0.000 0.642 420 T N -1.714 112.862 114.554 0.037 0.000 2.708 420 T HA -0.176 4.174 4.350 0.000 0.000 0.266 420 T C 1.505 176.242 174.700 0.062 0.000 1.037 420 T CA 2.016 64.129 62.100 0.022 0.000 1.146 420 T CB -0.289 68.593 68.868 0.023 0.000 0.865 420 T HN 0.802 nan 8.240 nan 0.000 0.435 421 Y N 1.424 121.746 120.300 0.036 0.000 2.181 421 Y HA -0.056 4.495 4.550 0.000 0.000 0.288 421 Y C 2.019 178.004 175.900 0.143 0.000 1.146 421 Y CA 0.877 59.045 58.100 0.115 0.000 1.164 421 Y CB -0.440 38.113 38.460 0.155 0.000 0.982 421 Y HN 0.173 nan 8.280 nan 0.000 0.515 422 I N 0.294 120.956 120.570 0.154 0.000 2.179 422 I HA -0.333 3.837 4.170 0.000 0.000 0.242 422 I C 2.279 178.350 176.117 -0.077 0.000 1.088 422 I CA 1.731 63.059 61.300 0.046 0.000 1.357 422 I CB -0.406 37.635 38.000 0.068 0.000 1.051 422 I HN 0.160 nan 8.210 nan 0.000 0.409 423 K N 0.219 120.563 120.400 -0.093 0.000 2.211 423 K HA -0.179 4.141 4.320 0.000 0.000 0.203 423 K C 2.224 178.697 176.600 -0.211 0.000 1.050 423 K CA 0.855 57.060 56.287 -0.137 0.000 0.945 423 K CB -0.176 32.253 32.500 -0.119 0.000 0.732 423 K HN 0.252 nan 8.250 nan 0.000 0.451 424 R N 0.053 120.371 120.500 -0.304 0.000 2.075 424 R HA -0.149 4.191 4.340 0.000 0.000 0.232 424 R C 1.261 177.104 176.300 -0.762 0.000 1.126 424 R CA 1.604 57.370 56.100 -0.556 0.000 0.963 424 R CB -0.056 29.827 30.300 -0.695 0.000 0.858 424 R HN 0.266 nan 8.270 nan 0.000 0.435 425 W N -0.183 120.950 121.300 -0.278 0.000 2.996 425 W HA 0.250 4.910 4.660 0.000 0.000 0.270 425 W C 0.223 176.647 176.519 -0.158 0.000 1.280 425 W CA -0.302 56.901 57.345 -0.236 0.000 1.549 425 W CB 0.567 29.821 29.460 -0.344 0.000 1.079 425 W HN -0.072 nan 8.180 nan 0.000 0.629 426 L N 2.906 124.114 121.223 -0.026 0.000 2.784 426 L HA 0.232 4.572 4.340 0.000 0.000 0.241 426 L C -1.284 175.533 176.870 -0.087 0.000 1.352 426 L CA -1.243 53.571 54.840 -0.045 0.000 0.911 426 L CB 0.560 42.561 42.059 -0.096 0.000 1.227 426 L HN -0.259 nan 8.230 nan 0.000 0.501 427 P HA -0.226 nan 4.420 nan 0.000 0.220 427 P C 0.988 178.268 177.300 -0.033 0.000 1.144 427 P CA 1.273 64.325 63.100 -0.080 0.000 0.800 427 P CB 0.224 31.871 31.700 -0.088 0.000 0.772 428 E N 0.368 120.559 120.200 -0.014 0.000 2.478 428 E HA -0.083 4.267 4.350 0.000 0.000 0.198 428 E C 1.408 178.063 176.600 0.092 0.000 1.046 428 E CA 0.594 57.015 56.400 0.036 0.000 0.870 428 E CB -0.671 29.057 29.700 0.047 0.000 0.818 428 E HN 0.375 nan 8.360 nan 0.000 0.527 429 L N 0.400 121.600 121.223 -0.038 0.000 2.910 429 L HA 0.330 4.670 4.340 0.000 0.000 0.252 429 L C 1.860 178.598 176.870 -0.221 0.000 1.195 429 L CA -0.313 54.413 54.840 -0.189 0.000 1.003 429 L CB 0.207 42.061 42.059 -0.342 0.000 1.328 429 L HN -0.100 nan 8.230 nan 0.000 0.540 430 R N 0.016 120.485 120.500 -0.051 0.000 2.237 430 R HA -0.117 4.223 4.340 0.000 0.000 0.219 430 R C 2.036 178.307 176.300 -0.050 0.000 1.080 430 R CA 1.055 57.117 56.100 -0.064 0.000 0.995 430 R CB -0.200 30.080 30.300 -0.032 0.000 0.875 430 R HN 0.561 nan 8.270 nan 0.000 0.462 431 H N -1.147 117.886 119.070 -0.062 0.000 2.547 431 H HA 0.104 4.660 4.556 0.000 0.000 0.272 431 H C 0.383 175.692 175.328 -0.031 0.000 0.989 431 H CA 0.115 56.138 56.048 -0.043 0.000 1.214 431 H CB -0.357 29.386 29.762 -0.031 0.000 1.389 431 H HN -0.121 nan 8.280 nan 0.000 0.577 432 V N 3.045 122.642 119.914 -0.529 0.000 2.649 432 V HA -0.002 4.118 4.120 0.000 0.000 0.292 432 V C 0.820 176.833 176.094 -0.135 0.000 1.055 432 V CA -0.591 61.508 62.300 -0.334 0.000 1.023 432 V CB 1.368 32.958 31.823 -0.389 0.000 0.992 432 V HN 0.480 nan 8.190 nan 0.000 0.480 433 H N 6.660 125.660 119.070 -0.117 0.000 2.848 433 H HA 0.095 4.651 4.556 0.000 0.000 0.341 433 H C -1.772 173.511 175.328 -0.075 0.000 1.060 433 H CA -1.470 54.533 56.048 -0.075 0.000 1.444 433 H CB 1.780 31.512 29.762 -0.050 0.000 1.446 433 H HN 0.373 nan 8.280 nan 0.000 0.583 434 P HA -0.207 nan 4.420 nan 0.000 0.216 434 P C 1.526 178.905 177.300 0.130 0.000 1.154 434 P CA 1.954 65.044 63.100 -0.016 0.000 0.865 434 P CB 0.175 31.811 31.700 -0.106 0.000 0.789 435 K N -0.260 120.359 120.400 0.366 0.000 2.074 435 K HA -0.207 4.113 4.320 0.000 0.000 0.209 435 K C 1.382 178.022 176.600 0.068 0.000 1.048 435 K CA 1.975 58.358 56.287 0.160 0.000 0.926 435 K CB -0.456 32.064 32.500 0.033 0.000 0.713 435 K HN 0.052 nan 8.250 nan 0.000 0.444 436 D N 0.516 120.956 120.400 0.066 0.000 2.234 436 D HA -0.080 4.560 4.640 0.000 0.000 0.205 436 D C 1.935 178.233 176.300 -0.002 0.000 0.962 436 D CA 0.678 54.686 54.000 0.013 0.000 0.855 436 D CB 0.062 40.862 40.800 -0.000 0.000 0.951 436 D HN 0.276 nan 8.370 nan 0.000 0.500 437 L N 0.287 121.507 121.223 -0.005 0.000 2.109 437 L HA -0.025 4.315 4.340 0.000 0.000 0.207 437 L C 2.402 179.276 176.870 0.007 0.000 1.086 437 L CA 0.564 55.385 54.840 -0.031 0.000 0.760 437 L CB -0.115 41.912 42.059 -0.055 0.000 0.910 437 L HN -0.022 nan 8.230 nan 0.000 0.437 438 I N -0.448 120.137 120.570 0.025 0.000 2.233 438 I HA -0.234 3.936 4.170 0.000 0.000 0.243 438 I C 2.732 178.870 176.117 0.034 0.000 1.093 438 I CA 1.484 62.807 61.300 0.039 0.000 1.380 438 I CB -0.205 37.818 38.000 0.038 0.000 1.067 438 I HN 0.295 nan 8.210 nan 0.000 0.413 439 S N 0.403 116.115 115.700 0.021 0.000 2.453 439 S HA 0.026 4.496 4.470 0.000 0.000 0.231 439 S C 1.832 176.428 174.600 -0.007 0.000 1.005 439 S CA 0.710 58.919 58.200 0.014 0.000 0.949 439 S CB -0.036 63.168 63.200 0.007 0.000 0.774 439 S HN 0.624 nan 8.310 nan 0.000 0.510 440 G N 0.900 109.688 108.800 -0.020 0.000 2.179 440 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 440 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 440 G C -0.231 174.633 174.900 -0.061 0.000 0.977 440 G CA 0.222 45.281 45.100 -0.068 0.000 0.641 440 G HN 0.629 nan 8.290 nan 0.000 0.533 441 E N 0.493 120.677 120.200 -0.028 0.000 1.986 441 E HA 0.489 4.839 4.350 0.000 0.000 0.264 441 E C 0.176 176.776 176.600 -0.000 0.000 1.023 441 E CA -0.293 56.099 56.400 -0.014 0.000 0.834 441 E CB 0.646 30.342 29.700 -0.008 0.000 1.111 441 E HN 0.479 nan 8.360 nan 0.000 0.417 442 I N 2.272 122.852 120.570 0.018 0.000 2.377 442 I HA 0.122 4.292 4.170 0.000 0.000 0.293 442 I C 0.926 177.068 176.117 0.041 0.000 0.987 442 I CA -0.899 60.417 61.300 0.028 0.000 1.185 442 I CB 1.648 39.679 38.000 0.053 0.000 1.341 442 I HN 0.317 nan 8.210 nan 0.000 0.455 443 T N 2.736 117.311 114.554 0.035 0.000 2.940 443 T HA 0.112 4.462 4.350 0.000 0.000 0.309 443 T C -1.861 172.874 174.700 0.058 0.000 1.056 443 T CA -1.128 60.996 62.100 0.040 0.000 1.137 443 T CB 0.846 69.735 68.868 0.035 0.000 0.976 443 T HN 0.344 nan 8.240 nan 0.000 0.547 444 P HA -0.153 nan 4.420 nan 0.000 0.216 444 P C 1.567 178.906 177.300 0.064 0.000 1.157 444 P CA 1.185 64.319 63.100 0.056 0.000 0.880 444 P CB -0.262 31.463 31.700 0.041 0.000 0.791 445 I N -2.766 117.838 120.570 0.057 0.000 2.546 445 I HA -0.085 4.086 4.170 0.000 0.000 0.255 445 I C 1.787 177.955 176.117 0.086 0.000 1.163 445 I CA 1.562 62.897 61.300 0.058 0.000 1.457 445 I CB -1.274 36.751 38.000 0.043 0.000 1.092 445 I HN -0.099 nan 8.210 nan 0.000 0.434 446 E N 1.563 121.828 120.200 0.108 0.000 2.230 446 E HA -0.063 4.287 4.350 0.000 0.000 0.192 446 E C 2.085 178.830 176.600 0.241 0.000 0.987 446 E CA 0.477 56.987 56.400 0.183 0.000 0.841 446 E CB -0.069 29.705 29.700 0.123 0.000 0.783 446 E HN 0.643 nan 8.360 nan 0.000 0.481 447 R N 0.951 121.553 120.500 0.171 0.000 2.235 447 R HA 0.028 4.368 4.340 0.000 0.000 0.213 447 R C 0.392 176.821 176.300 0.215 0.000 1.059 447 R CA 0.249 56.478 56.100 0.214 0.000 0.997 447 R CB -0.545 29.904 30.300 0.249 0.000 0.884 447 R HN -0.048 nan 8.270 nan 0.000 0.462 448 R N 0.785 121.376 120.500 0.152 0.000 3.034 448 R HA -0.239 4.102 4.340 0.000 0.000 0.237 448 R C 0.762 177.126 176.300 0.107 0.000 0.861 448 R CA 0.360 56.519 56.100 0.099 0.000 0.588 448 R CB -1.811 28.521 30.300 0.055 0.000 1.035 448 R HN 0.794 nan 8.270 nan 0.000 0.488 449 G N -0.723 108.141 108.800 0.107 0.000 2.349 449 G HA2 -0.393 3.568 3.960 0.000 0.000 0.213 449 G HA3 -0.393 3.568 3.960 0.000 0.000 0.213 449 G C 0.026 174.998 174.900 0.120 0.000 1.044 449 G CA 0.051 45.208 45.100 0.094 0.000 0.633 449 G HN 0.471 nan 8.290 nan 0.000 0.506 450 Y N 4.598 124.924 120.300 0.043 0.000 2.717 450 Y HA 0.437 4.987 4.550 0.000 0.000 0.330 450 Y C -1.711 174.211 175.900 0.037 0.000 1.217 450 Y CA -0.969 57.155 58.100 0.039 0.000 1.506 450 Y CB 0.447 38.931 38.460 0.040 0.000 1.268 450 Y HN 0.212 nan 8.280 nan 0.000 0.561 451 P HA 0.184 nan 4.420 nan 0.000 0.269 451 P C -1.172 175.935 177.300 -0.322 0.000 1.215 451 P CA 0.035 62.925 63.100 -0.348 0.000 0.780 451 P CB 0.609 32.117 31.700 -0.321 0.000 0.898 452 A N 3.812 126.559 122.820 -0.121 0.000 2.287 452 A HA 0.493 4.813 4.320 0.000 0.000 0.273 452 A C -2.205 175.352 177.584 -0.046 0.000 1.091 452 A CA -1.609 50.395 52.037 -0.055 0.000 0.817 452 A CB -1.139 17.858 19.000 -0.005 0.000 1.069 452 A HN 0.410 nan 8.150 nan 0.000 0.492 453 P HA -0.016 nan 4.420 nan 0.000 0.261 453 P C 0.828 178.234 177.300 0.176 0.000 1.183 453 P CA 0.380 63.502 63.100 0.036 0.000 0.761 453 P CB 0.130 31.775 31.700 -0.092 0.000 0.785 454 I N 2.496 123.240 120.570 0.290 0.000 2.830 454 I HA 0.012 4.182 4.170 0.000 0.000 0.263 454 I C 0.507 176.769 176.117 0.241 0.000 1.230 454 I CA 0.457 61.897 61.300 0.233 0.000 1.480 454 I CB -0.286 37.855 38.000 0.235 0.000 1.095 454 I HN 0.039 nan 8.210 nan 0.000 0.455 455 V N -2.096 118.028 119.914 0.349 0.000 3.216 455 V HA 0.469 4.589 4.120 0.000 0.000 0.302 455 V C -1.086 175.222 176.094 0.358 0.000 1.286 455 V CA -0.937 61.526 62.300 0.272 0.000 1.048 455 V CB 1.607 33.538 31.823 0.180 0.000 1.081 455 V HN 0.273 nan 8.190 nan 0.000 0.442 456 N N 0.395 119.246 118.700 0.252 0.000 2.437 456 N HA 0.253 4.993 4.740 0.000 0.000 0.259 456 N C 0.613 176.289 175.510 0.276 0.000 0.983 456 N CA -0.057 53.152 53.050 0.264 0.000 0.937 456 N CB 1.411 39.994 38.487 0.160 0.000 1.122 456 N HN 1.059 nan 8.380 nan 0.000 0.499 457 H N 4.916 124.171 119.070 0.309 0.000 2.265 457 H HA -0.095 4.462 4.556 0.000 0.000 0.295 457 H C 1.062 176.477 175.328 0.144 0.000 1.084 457 H CA 2.202 58.389 56.048 0.232 0.000 1.261 457 H CB 0.258 30.209 29.762 0.316 0.000 1.360 457 H HN 0.602 nan 8.280 nan 0.000 0.487 458 N N 0.082 118.804 118.700 0.037 0.000 2.104 458 N HA -0.149 4.591 4.740 0.000 0.000 0.190 458 N C 2.073 177.560 175.510 -0.038 0.000 1.024 458 N CA 1.245 54.271 53.050 -0.041 0.000 0.853 458 N CB -0.534 37.991 38.487 0.064 0.000 1.008 458 N HN 0.342 nan 8.380 nan 0.000 0.424 459 L N 1.710 122.944 121.223 0.018 0.000 2.027 459 L HA -0.042 4.298 4.340 0.000 0.000 0.206 459 L C 2.103 178.983 176.870 0.016 0.000 1.074 459 L CA 1.566 56.423 54.840 0.028 0.000 0.745 459 L CB -0.335 41.757 42.059 0.054 0.000 0.898 459 L HN -0.018 nan 8.230 nan 0.000 0.433 460 R N -0.429 120.075 120.500 0.006 0.000 2.096 460 R HA -0.177 4.163 4.340 0.000 0.000 0.235 460 R C 2.165 178.470 176.300 0.008 0.000 1.127 460 R CA 1.507 57.616 56.100 0.015 0.000 0.968 460 R CB -0.900 29.396 30.300 -0.007 0.000 0.861 460 R HN 0.621 nan 8.270 nan 0.000 0.440 461 Q N 1.214 120.942 119.800 -0.120 0.000 2.096 461 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 461 Q C 1.700 177.723 176.000 0.037 0.000 0.982 461 Q CA 1.692 57.425 55.803 -0.117 0.000 0.850 461 Q CB 0.123 28.690 28.738 -0.286 0.000 0.901 461 Q HN 0.283 nan 8.270 nan 0.000 0.422 462 K N -0.141 120.274 120.400 0.024 0.000 2.057 462 K HA -0.154 4.166 4.320 0.000 0.000 0.206 462 K C 2.234 178.884 176.600 0.083 0.000 1.050 462 K CA 1.494 57.815 56.287 0.055 0.000 0.935 462 K CB -0.065 32.455 32.500 0.033 0.000 0.715 462 K HN 0.327 nan 8.250 nan 0.000 0.439 463 Q N -0.085 119.764 119.800 0.081 0.000 2.135 463 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 463 Q C 1.999 178.069 176.000 0.118 0.000 0.981 463 Q CA 1.525 57.375 55.803 0.077 0.000 0.856 463 Q CB -0.200 28.581 28.738 0.071 0.000 0.902 463 Q HN 0.256 nan 8.270 nan 0.000 0.425 464 F N 1.646 121.629 119.950 0.055 0.000 2.113 464 F HA -0.133 4.394 4.527 0.000 0.000 0.297 464 F C 1.969 177.865 175.800 0.159 0.000 1.103 464 F CA 1.369 59.447 58.000 0.129 0.000 1.248 464 F CB 0.072 39.133 39.000 0.102 0.000 0.999 464 F HN -0.168 nan 8.300 nan 0.000 0.475 465 K N 0.188 120.811 120.400 0.372 0.000 2.103 465 K HA -0.176 4.144 4.320 0.000 0.000 0.207 465 K C 2.277 178.975 176.600 0.163 0.000 1.048 465 K CA 1.196 57.660 56.287 0.296 0.000 0.930 465 K CB -0.556 32.075 32.500 0.217 0.000 0.716 465 K HN 0.366 nan 8.250 nan 0.000 0.444 466 A N 1.618 124.483 122.820 0.075 0.000 1.858 466 A HA -0.154 4.166 4.320 0.000 0.000 0.216 466 A C 2.151 179.689 177.584 -0.078 0.000 1.190 466 A CA 1.293 53.329 52.037 -0.002 0.000 0.617 466 A CB -0.737 18.254 19.000 -0.015 0.000 0.827 466 A HN 0.159 nan 8.150 nan 0.000 0.443 467 L N -2.021 119.117 121.223 -0.142 0.000 2.042 467 L HA -0.240 4.100 4.340 0.000 0.000 0.210 467 L C 2.610 179.300 176.870 -0.301 0.000 1.076 467 L CA 2.022 56.670 54.840 -0.320 0.000 0.749 467 L CB -0.750 41.000 42.059 -0.515 0.000 0.893 467 L HN 0.602 nan 8.230 nan 0.000 0.432 468 Y N 1.534 121.670 120.300 -0.274 0.000 2.060 468 Y HA -0.275 4.275 4.550 0.000 0.000 0.276 468 Y C 2.639 178.438 175.900 -0.169 0.000 1.127 468 Y CA 1.772 59.765 58.100 -0.178 0.000 1.104 468 Y CB -0.570 37.860 38.460 -0.051 0.000 0.983 468 Y HN 0.181 nan 8.280 nan 0.000 0.483 469 N N 0.555 119.147 118.700 -0.180 0.000 2.091 469 N HA -0.285 4.455 4.740 0.000 0.000 0.193 469 N C 1.944 177.299 175.510 -0.258 0.000 1.021 469 N CA 1.820 54.716 53.050 -0.257 0.000 0.862 469 N CB -0.712 37.732 38.487 -0.071 0.000 1.018 469 N HN 0.616 nan 8.380 nan 0.000 0.429 470 Q N 0.227 119.901 119.800 -0.209 0.000 2.096 470 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 470 Q C 2.066 177.918 176.000 -0.246 0.000 0.982 470 Q CA 1.200 56.882 55.803 -0.202 0.000 0.850 470 Q CB -0.075 28.547 28.738 -0.192 0.000 0.901 470 Q HN 0.239 nan 8.270 nan 0.000 0.422 471 L N 0.848 121.879 121.223 -0.319 0.000 2.072 471 L HA -0.091 4.249 4.340 0.000 0.000 0.205 471 L C 2.250 178.922 176.870 -0.330 0.000 1.079 471 L CA 1.793 56.435 54.840 -0.330 0.000 0.752 471 L CB -0.443 41.378 42.059 -0.397 0.000 0.906 471 L HN 0.092 nan 8.230 nan 0.000 0.436 472 K N -0.638 119.499 120.400 -0.438 0.000 2.152 472 K HA -0.174 4.146 4.320 0.000 0.000 0.206 472 K C 1.842 178.287 176.600 -0.259 0.000 1.048 472 K CA 1.295 57.333 56.287 -0.415 0.000 0.933 472 K CB -0.082 32.061 32.500 -0.594 0.000 0.721 472 K HN 0.461 nan 8.250 nan 0.000 0.447 473 A N 0.989 123.672 122.820 -0.228 0.000 1.855 473 A HA 0.090 4.410 4.320 0.000 0.000 0.213 473 A C 1.884 179.384 177.584 -0.139 0.000 1.195 473 A CA 1.203 53.145 52.037 -0.157 0.000 0.610 473 A CB -0.474 18.445 19.000 -0.136 0.000 0.837 473 A HN 0.356 nan 8.150 nan 0.000 0.444 474 A N -0.868 121.859 122.820 -0.155 0.000 2.604 474 A HA 0.480 4.800 4.320 0.000 0.000 0.248 474 A C 0.356 177.860 177.584 -0.134 0.000 1.466 474 A CA 0.119 52.076 52.037 -0.134 0.000 1.222 474 A CB -0.953 17.962 19.000 -0.142 0.000 0.945 474 A HN 0.420 nan 8.150 nan 0.000 0.600 475 I N 0.000 120.492 120.570 -0.130 0.000 2.984 475 I HA 0.000 4.170 4.170 0.000 0.000 0.288 475 I CA 0.000 61.230 61.300 -0.116 0.000 1.566 475 I CB 0.000 37.916 38.000 -0.140 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494