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 3ct2_1_A DATA FIRST_RESID 4 DATA SEQUENCE HASAIESIET IIVDLPTIXX XXXXXXXXXN QTLVLIRLRC ADGIEGLGES DATA SEQUENCE TTIGGLAYGN ESPDSIKTNI DRFVAPLLIG QDASNINAAM LRLEQSIRGN DATA SEQUENCE TFAKSGIESA LLDAQGKRLG LPVSELLGGR VRDALPVAWT LASGDTAKDI DATA SEQUENCE AEAQKMLDLR RHRIFKLKIG AGEVDRDLAH VIAIKKALGD SASVRVDVNQ DATA SEQUENCE AWDEAVALRA CRILGGNGID LIEQPISRNN RAGMVRLNAS SPAPIMADES DATA SEQUENCE IECVEDAFNL AREGAASVFA LKIAKNGGPR ATLRTAAIAE AAGIGLYGGT DATA SEQUENCE MLEGGIGTLA SAHAFLTLNK LSWDTELFGP LLLTEDILAE PPVYRDFHLH DATA SEQUENCE VSKAPGLGLS LDEERLAFFR RE 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 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.327 175.328 -0.001 0.000 0.993 4 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 4 H CB 0.000 29.761 29.762 -0.001 0.000 1.292 5 A N 0.061 122.923 122.820 0.070 0.000 1.873 5 A HA 0.299 4.620 4.320 0.000 0.000 0.188 5 A C 1.500 179.097 177.584 0.022 0.000 2.054 5 A CA 0.664 52.728 52.037 0.045 0.000 1.506 5 A CB -0.221 18.800 19.000 0.034 0.000 1.084 5 A HN 0.034 nan 8.150 nan 0.000 0.620 6 S N 0.912 116.617 115.700 0.008 0.000 2.527 6 S HA 0.384 4.854 4.470 0.000 0.000 0.222 6 S C 1.019 175.617 174.600 -0.002 0.000 0.985 6 S CA 0.354 58.555 58.200 0.002 0.000 0.921 6 S CB -0.426 62.773 63.200 -0.002 0.000 0.772 6 S HN 0.905 nan 8.310 nan 0.000 0.529 7 A N 1.860 124.676 122.820 -0.007 0.000 2.546 7 A HA 0.254 4.574 4.320 0.000 0.000 0.243 7 A C 0.203 177.785 177.584 -0.003 0.000 1.063 7 A CA 0.015 52.045 52.037 -0.011 0.000 0.757 7 A CB -0.356 18.631 19.000 -0.022 0.000 0.991 7 A HN 0.440 nan 8.150 nan 0.000 0.503 8 I N 2.354 122.922 120.570 -0.003 0.000 2.517 8 I HA 0.015 4.185 4.170 0.000 0.000 0.285 8 I C 1.321 177.439 176.117 0.001 0.000 1.106 8 I CA 0.333 61.633 61.300 0.000 0.000 1.402 8 I CB 0.771 38.771 38.000 0.000 0.000 1.399 8 I HN 1.008 nan 8.210 nan 0.000 0.535 9 E N 3.892 124.094 120.200 0.005 0.000 2.127 9 E HA -0.001 4.349 4.350 0.000 0.000 0.191 9 E C 0.100 176.703 176.600 0.004 0.000 0.964 9 E CA 0.372 56.776 56.400 0.006 0.000 0.832 9 E CB 0.533 30.240 29.700 0.011 0.000 0.790 9 E HN 0.769 nan 8.360 nan 0.000 0.465 10 S N -0.805 114.898 115.700 0.004 0.000 2.565 10 S HA 0.534 5.004 4.470 0.000 0.000 0.269 10 S C -0.931 173.671 174.600 0.004 0.000 1.153 10 S CA -0.987 57.215 58.200 0.003 0.000 0.835 10 S CB 1.384 64.586 63.200 0.004 0.000 1.122 10 S HN 0.109 nan 8.310 nan 0.000 0.462 11 I N 1.261 121.834 120.570 0.004 0.000 2.497 11 I HA 0.426 4.597 4.170 0.000 0.000 0.284 11 I C -0.634 175.487 176.117 0.007 0.000 1.060 11 I CA -0.202 61.102 61.300 0.007 0.000 1.071 11 I CB 1.891 39.897 38.000 0.009 0.000 1.216 11 I HN 0.840 nan 8.210 nan 0.000 0.442 12 E N 5.322 125.527 120.200 0.010 0.000 2.171 12 E HA 0.508 4.858 4.350 0.000 0.000 0.271 12 E C -0.872 175.737 176.600 0.016 0.000 0.916 12 E CA -0.510 55.897 56.400 0.011 0.000 0.774 12 E CB 1.673 31.380 29.700 0.012 0.000 1.128 12 E HN 0.587 nan 8.360 nan 0.000 0.403 13 T N 2.420 116.984 114.554 0.017 0.000 2.779 13 T HA 0.603 4.954 4.350 0.000 0.000 0.280 13 T C -0.011 174.703 174.700 0.023 0.000 0.987 13 T CA -0.733 61.381 62.100 0.022 0.000 0.966 13 T CB 0.463 69.346 68.868 0.025 0.000 0.933 13 T HN 0.357 nan 8.240 nan 0.000 0.442 14 I N 3.470 124.057 120.570 0.028 0.000 2.466 14 I HA 0.414 4.585 4.170 0.000 0.000 0.289 14 I C -0.296 175.842 176.117 0.034 0.000 1.026 14 I CA -1.179 60.139 61.300 0.030 0.000 1.078 14 I CB 2.018 40.039 38.000 0.035 0.000 1.249 14 I HN 0.566 nan 8.210 nan 0.000 0.429 15 I N 6.582 127.171 120.570 0.032 0.000 2.342 15 I HA 0.329 4.499 4.170 0.000 0.000 0.291 15 I C -0.447 175.695 176.117 0.042 0.000 1.010 15 I CA -0.583 60.737 61.300 0.033 0.000 1.308 15 I CB 1.279 39.294 38.000 0.025 0.000 1.400 15 I HN 0.209 nan 8.210 nan 0.000 0.488 16 V N 5.355 125.298 119.914 0.048 0.000 2.540 16 V HA 0.353 4.473 4.120 0.000 0.000 0.302 16 V C -0.644 175.481 176.094 0.051 0.000 1.035 16 V CA -0.820 61.521 62.300 0.069 0.000 0.873 16 V CB 2.120 33.991 31.823 0.079 0.000 0.992 16 V HN 0.585 nan 8.190 nan 0.000 0.428 17 D N 5.124 125.568 120.400 0.073 0.000 2.381 17 D HA 0.570 5.210 4.640 0.000 0.000 0.235 17 D C -0.697 175.610 176.300 0.013 0.000 1.068 17 D CA -0.081 53.947 54.000 0.046 0.000 0.832 17 D CB 2.382 43.217 40.800 0.058 0.000 1.101 17 D HN 0.307 nan 8.370 nan 0.000 0.515 18 L N 3.700 124.869 121.223 -0.090 0.000 2.346 18 L HA 0.425 4.765 4.340 0.000 0.000 0.276 18 L C -2.246 174.543 176.870 -0.135 0.000 1.006 18 L CA -1.975 52.706 54.840 -0.266 0.000 0.817 18 L CB 2.407 44.284 42.059 -0.304 0.000 1.272 18 L HN 0.054 nan 8.230 nan 0.000 0.421 19 P HA 0.144 nan 4.420 nan 0.000 0.275 19 P C -0.732 176.557 177.300 -0.019 0.000 1.228 19 P CA -0.179 62.912 63.100 -0.015 0.000 0.786 19 P CB 1.261 32.992 31.700 0.051 0.000 0.927 20 T N -0.452 114.110 114.554 0.013 0.000 2.927 20 T HA 0.653 5.003 4.350 0.000 0.000 0.286 20 T C 0.910 175.637 174.700 0.044 0.000 1.040 20 T CA -1.004 61.112 62.100 0.027 0.000 1.010 20 T CB 0.651 69.535 68.868 0.027 0.000 1.177 20 T HN 0.417 nan 8.240 nan 0.000 0.546 34 Q N 1.555 121.352 119.800 -0.005 0.000 2.340 34 Q HA 0.607 4.947 4.340 0.000 0.000 0.268 34 Q C -1.408 174.589 176.000 -0.005 0.000 1.031 34 Q CA -0.294 55.506 55.803 -0.005 0.000 0.804 34 Q CB 1.689 30.421 28.738 -0.010 0.000 1.286 34 Q HN 0.563 nan 8.270 nan 0.000 0.448 35 T N 4.800 119.358 114.554 0.007 0.000 2.795 35 T HA 0.614 4.964 4.350 0.000 0.000 0.282 35 T C -0.449 174.262 174.700 0.019 0.000 0.980 35 T CA -0.466 61.642 62.100 0.013 0.000 1.012 35 T CB 0.265 69.144 68.868 0.018 0.000 0.936 35 T HN 0.500 nan 8.240 nan 0.000 0.457 36 L N 2.333 123.569 121.223 0.021 0.000 2.333 36 L HA 0.763 5.103 4.340 0.000 0.000 0.269 36 L C -0.665 176.227 176.870 0.037 0.000 1.010 36 L CA -1.392 53.465 54.840 0.029 0.000 0.818 36 L CB 1.929 44.001 42.059 0.021 0.000 1.306 36 L HN 0.282 nan 8.230 nan 0.000 0.430 37 V N 2.999 122.939 119.914 0.044 0.000 2.326 37 V HA 0.286 4.406 4.120 0.000 0.000 0.281 37 V C -0.275 175.843 176.094 0.040 0.000 1.015 37 V CA -0.425 61.901 62.300 0.044 0.000 0.823 37 V CB 1.592 33.447 31.823 0.053 0.000 1.009 37 V HN 0.434 nan 8.190 nan 0.000 0.436 38 L N 6.760 128.005 121.223 0.036 0.000 2.326 38 L HA 0.580 4.920 4.340 0.000 0.000 0.278 38 L C -0.486 176.401 176.870 0.028 0.000 1.092 38 L CA 0.348 55.207 54.840 0.032 0.000 0.810 38 L CB 0.841 42.922 42.059 0.036 0.000 1.153 38 L HN 0.383 nan 8.230 nan 0.000 0.439 39 I N 5.673 126.256 120.570 0.022 0.000 2.362 39 I HA 0.421 4.591 4.170 0.000 0.000 0.289 39 I C -0.108 176.017 176.117 0.013 0.000 0.994 39 I CA -0.350 60.961 61.300 0.018 0.000 1.158 39 I CB 1.271 39.280 38.000 0.015 0.000 1.315 39 I HN 0.624 nan 8.210 nan 0.000 0.451 40 R N 6.281 126.789 120.500 0.013 0.000 2.320 40 R HA 0.546 4.887 4.340 0.000 0.000 0.319 40 R C -0.793 175.512 176.300 0.008 0.000 0.969 40 R CA -0.687 55.419 56.100 0.011 0.000 0.857 40 R CB 2.127 32.436 30.300 0.014 0.000 1.160 40 R HN 0.490 nan 8.270 nan 0.000 0.491 41 L N 3.866 125.091 121.223 0.004 0.000 2.287 41 L HA 0.482 4.822 4.340 0.000 0.000 0.287 41 L C -0.586 176.285 176.870 0.002 0.000 1.022 41 L CA -0.563 54.278 54.840 0.003 0.000 0.814 41 L CB 0.773 42.832 42.059 -0.000 0.000 1.217 41 L HN 0.486 nan 8.230 nan 0.000 0.420 42 R N 4.080 124.582 120.500 0.004 0.000 2.562 42 R HA 0.565 4.905 4.340 0.000 0.000 0.298 42 R C -1.062 175.241 176.300 0.006 0.000 0.961 42 R CA -0.707 55.396 56.100 0.005 0.000 0.881 42 R CB 1.732 32.037 30.300 0.007 0.000 1.159 42 R HN 0.610 nan 8.270 nan 0.000 0.450 43 C N 0.765 120.068 119.300 0.006 0.000 2.349 43 C HA 0.422 4.882 4.460 0.000 0.000 0.361 43 C C 2.025 177.024 174.990 0.016 0.000 1.189 43 C CA -0.513 58.510 59.018 0.008 0.000 2.155 43 C CB 1.283 29.026 27.740 0.006 0.000 2.336 43 C HN 0.999 nan 8.230 nan 0.000 0.540 44 A N 1.102 123.934 122.820 0.021 0.000 2.076 44 A HA -0.157 4.163 4.320 0.000 0.000 0.220 44 A C 1.634 179.245 177.584 0.044 0.000 1.160 44 A CA 2.165 54.225 52.037 0.038 0.000 0.653 44 A CB -0.460 18.567 19.000 0.046 0.000 0.801 44 A HN 0.971 nan 8.150 nan 0.000 0.455 45 D N -2.109 118.310 120.400 0.033 0.000 2.325 45 D HA 0.256 4.896 4.640 0.000 0.000 0.225 45 D C 1.157 177.467 176.300 0.018 0.000 1.096 45 D CA 0.862 54.879 54.000 0.029 0.000 0.844 45 D CB -0.489 40.326 40.800 0.025 0.000 0.925 45 D HN 0.685 nan 8.370 nan 0.000 0.513 46 G N 0.796 109.606 108.800 0.016 0.000 2.225 46 G HA2 -0.293 3.667 3.960 0.000 0.000 0.254 46 G HA3 -0.293 3.667 3.960 0.000 0.000 0.254 46 G C 0.342 175.246 174.900 0.007 0.000 0.988 46 G CA 0.163 45.269 45.100 0.011 0.000 0.625 46 G HN 0.453 nan 8.290 nan 0.000 0.527 47 I N 1.570 122.144 120.570 0.006 0.000 2.618 47 I HA 0.291 4.462 4.170 0.000 0.000 0.284 47 I C 0.636 176.753 176.117 0.001 0.000 1.146 47 I CA 0.215 61.516 61.300 0.002 0.000 1.425 47 I CB 1.069 39.068 38.000 -0.001 0.000 1.383 47 I HN 0.301 nan 8.210 nan 0.000 0.562 48 E N 4.935 125.134 120.200 -0.001 0.000 2.183 48 E HA 0.579 4.929 4.350 0.000 0.000 0.271 48 E C -0.602 175.994 176.600 -0.007 0.000 0.919 48 E CA -0.708 55.691 56.400 -0.002 0.000 0.781 48 E CB 1.818 31.519 29.700 0.002 0.000 1.140 48 E HN 0.734 nan 8.360 nan 0.000 0.402 49 G N 3.935 112.730 108.800 -0.009 0.000 2.416 49 G HA2 0.554 4.514 3.960 0.000 0.000 0.329 49 G HA3 0.554 4.514 3.960 0.000 0.000 0.329 49 G C -0.950 173.942 174.900 -0.014 0.000 1.173 49 G CA -0.617 44.473 45.100 -0.017 0.000 0.929 49 G HN 0.458 nan 8.290 nan 0.000 0.475 50 L N 1.366 122.577 121.223 -0.019 0.000 2.329 50 L HA 0.807 5.147 4.340 0.000 0.000 0.279 50 L C 0.645 177.503 176.870 -0.020 0.000 1.014 50 L CA -0.746 54.087 54.840 -0.012 0.000 0.814 50 L CB 2.210 44.264 42.059 -0.007 0.000 1.257 50 L HN 0.689 nan 8.230 nan 0.000 0.424 51 G N 1.140 109.933 108.800 -0.011 0.000 2.680 51 G HA2 0.619 4.580 3.960 0.000 0.000 0.290 51 G HA3 0.619 4.580 3.960 0.000 0.000 0.290 51 G C -1.945 172.953 174.900 -0.003 0.000 1.355 51 G CA -0.269 44.822 45.100 -0.015 0.000 0.903 51 G HN 0.538 nan 8.290 nan 0.000 0.474 52 E N -0.342 119.854 120.200 -0.006 0.000 2.278 52 E HA 0.533 4.883 4.350 0.000 0.000 0.272 52 E C -1.344 175.265 176.600 0.016 0.000 0.890 52 E CA -0.581 55.823 56.400 0.008 0.000 0.770 52 E CB 1.757 31.458 29.700 0.002 0.000 1.212 52 E HN 0.267 nan 8.360 nan 0.000 0.415 53 S N 2.653 118.383 115.700 0.050 0.000 2.667 53 S HA 0.429 4.899 4.470 0.000 0.000 0.304 53 S C -0.933 173.750 174.600 0.138 0.000 1.135 53 S CA -0.475 57.786 58.200 0.103 0.000 1.125 53 S CB 1.587 64.861 63.200 0.123 0.000 0.996 53 S HN 0.439 nan 8.310 nan 0.000 0.474 54 T N 2.118 116.771 114.554 0.166 0.000 2.893 54 T HA 0.708 5.058 4.350 0.000 0.000 0.291 54 T C -0.066 174.800 174.700 0.278 0.000 1.028 54 T CA -0.497 61.696 62.100 0.155 0.000 0.995 54 T CB 2.150 71.060 68.868 0.071 0.000 1.051 54 T HN 0.475 nan 8.240 nan 0.000 0.470 55 T N 1.062 115.728 114.554 0.187 0.000 2.669 55 T HA 0.797 5.147 4.350 0.000 0.000 0.283 55 T C -1.431 173.310 174.700 0.067 0.000 1.019 55 T CA -0.658 61.557 62.100 0.193 0.000 1.039 55 T CB 0.785 69.621 68.868 -0.052 0.000 1.374 55 T HN 0.472 nan 8.240 nan 0.000 0.523 56 I N 0.974 121.570 120.570 0.043 0.000 2.509 56 I HA 0.521 4.692 4.170 0.000 0.000 0.293 56 I C 1.027 177.248 176.117 0.172 0.000 1.020 56 I CA -0.673 60.620 61.300 -0.010 0.000 1.088 56 I CB 1.757 39.554 38.000 -0.338 0.000 1.267 56 I HN 0.960 nan 8.210 nan 0.000 0.430 57 G N 4.460 113.345 108.800 0.141 0.000 2.393 57 G HA2 -0.048 3.913 3.960 0.000 0.000 0.299 57 G HA3 -0.048 3.913 3.960 0.000 0.000 0.299 57 G C 0.910 175.868 174.900 0.097 0.000 0.990 57 G CA 0.758 45.956 45.100 0.164 0.000 1.118 57 G HN 1.512 nan 8.290 nan 0.000 0.513 58 G N -0.530 108.297 108.800 0.045 0.000 2.846 58 G HA2 -0.330 3.630 3.960 0.000 0.000 0.317 58 G HA3 -0.330 3.630 3.960 0.000 0.000 0.317 58 G C 0.955 175.841 174.900 -0.024 0.000 1.210 58 G CA 0.846 45.948 45.100 0.004 0.000 0.972 58 G HN 1.396 nan 8.290 nan 0.000 0.567 59 L N 1.599 122.801 121.223 -0.035 0.000 2.959 59 L HA 0.531 4.871 4.340 0.000 0.000 0.259 59 L C 2.613 179.431 176.870 -0.086 0.000 1.185 59 L CA 0.750 55.551 54.840 -0.066 0.000 0.998 59 L CB 0.516 42.536 42.059 -0.065 0.000 1.337 59 L HN 0.625 nan 8.230 nan 0.000 0.555 60 A N -0.636 122.128 122.820 -0.094 0.000 2.066 60 A HA -0.066 4.254 4.320 0.000 0.000 0.218 60 A C 1.316 178.626 177.584 -0.458 0.000 1.157 60 A CA 1.257 53.135 52.037 -0.264 0.000 0.670 60 A CB -0.252 18.561 19.000 -0.311 0.000 0.804 60 A HN 0.461 nan 8.150 nan 0.000 0.453 61 Y N -1.267 119.002 120.300 -0.052 0.000 2.588 61 Y HA 0.461 5.011 4.550 0.000 0.000 0.247 61 Y C 0.984 176.854 175.900 -0.050 0.000 1.157 61 Y CA 0.077 58.156 58.100 -0.034 0.000 1.215 61 Y CB 0.866 39.322 38.460 -0.007 0.000 1.245 61 Y HN 0.340 nan 8.280 nan 0.000 0.534 62 G N -0.060 108.730 108.800 -0.017 0.000 2.387 62 G HA2 0.100 4.060 3.960 0.000 0.000 0.294 62 G HA3 0.100 4.060 3.960 0.000 0.000 0.294 62 G C -0.589 174.219 174.900 -0.153 0.000 1.509 62 G CA -0.754 44.283 45.100 -0.105 0.000 0.806 62 G HN 0.056 nan 8.290 nan 0.000 0.546 63 N N -0.786 117.831 118.700 -0.139 0.000 2.467 63 N HA 0.039 4.779 4.740 0.000 0.000 0.184 63 N C 0.261 175.684 175.510 -0.145 0.000 1.106 63 N CA 0.607 53.589 53.050 -0.113 0.000 0.892 63 N CB 0.428 38.875 38.487 -0.066 0.000 0.969 63 N HN 0.632 nan 8.380 nan 0.000 0.454 64 E N 0.235 120.280 120.200 -0.258 0.000 2.151 64 E HA 0.334 4.684 4.350 0.000 0.000 0.275 64 E C -0.605 175.837 176.600 -0.264 0.000 0.936 64 E CA -0.743 55.507 56.400 -0.250 0.000 0.777 64 E CB 1.375 30.890 29.700 -0.307 0.000 1.108 64 E HN 0.351 nan 8.360 nan 0.000 0.401 65 S N 2.117 117.732 115.700 -0.141 0.000 2.681 65 S HA 0.411 4.881 4.470 0.000 0.000 0.299 65 S C -1.820 172.743 174.600 -0.061 0.000 1.113 65 S CA -1.395 56.745 58.200 -0.100 0.000 1.013 65 S CB 1.667 64.832 63.200 -0.057 0.000 1.076 65 S HN 0.264 nan 8.310 nan 0.000 0.534 66 P HA -0.117 nan 4.420 nan 0.000 0.218 66 P C 0.265 177.568 177.300 0.005 0.000 1.148 66 P CA 1.464 64.564 63.100 -0.000 0.000 0.822 66 P CB -0.234 31.472 31.700 0.011 0.000 0.784 67 D N 0.405 120.804 120.400 -0.002 0.000 2.097 67 D HA -0.137 4.504 4.640 0.000 0.000 0.195 67 D C 2.285 178.590 176.300 0.008 0.000 0.989 67 D CA 2.004 56.006 54.000 0.004 0.000 0.827 67 D CB -0.637 40.162 40.800 -0.000 0.000 0.966 67 D HN 0.254 nan 8.370 nan 0.000 0.456 68 S N -0.065 115.635 115.700 -0.000 0.000 2.428 68 S HA -0.034 4.436 4.470 0.000 0.000 0.230 68 S C 2.021 176.636 174.600 0.025 0.000 1.014 68 S CA 0.199 58.406 58.200 0.011 0.000 0.957 68 S CB -0.470 62.726 63.200 -0.006 0.000 0.784 68 S HN 0.220 nan 8.310 nan 0.000 0.499 69 I N 1.853 122.433 120.570 0.018 0.000 2.179 69 I HA -0.162 4.008 4.170 0.000 0.000 0.242 69 I C 2.767 178.915 176.117 0.051 0.000 1.088 69 I CA 1.618 62.943 61.300 0.041 0.000 1.357 69 I CB -0.253 37.776 38.000 0.049 0.000 1.051 69 I HN 0.342 nan 8.210 nan 0.000 0.409 70 K N 0.507 120.931 120.400 0.039 0.000 2.057 70 K HA -0.169 4.152 4.320 0.000 0.000 0.207 70 K C 2.049 178.672 176.600 0.039 0.000 1.049 70 K CA 1.867 58.175 56.287 0.036 0.000 0.931 70 K CB -0.080 32.435 32.500 0.025 0.000 0.714 70 K HN 0.185 nan 8.250 nan 0.000 0.440 71 T N 0.899 115.479 114.554 0.043 0.000 2.652 71 T HA -0.131 4.219 4.350 0.000 0.000 0.267 71 T C 1.490 176.248 174.700 0.096 0.000 1.039 71 T CA 1.924 64.056 62.100 0.053 0.000 1.153 71 T CB -0.407 68.496 68.868 0.059 0.000 0.863 71 T HN 0.437 nan 8.240 nan 0.000 0.428 72 N N 0.261 119.044 118.700 0.139 0.000 2.244 72 N HA 0.055 4.795 4.740 0.000 0.000 0.183 72 N C 1.864 177.497 175.510 0.205 0.000 1.016 72 N CA 0.675 53.873 53.050 0.247 0.000 0.866 72 N CB -0.143 38.449 38.487 0.174 0.000 0.980 72 N HN 0.319 nan 8.380 nan 0.000 0.430 73 I N 1.110 121.748 120.570 0.114 0.000 2.202 73 I HA -0.227 3.943 4.170 0.000 0.000 0.242 73 I C 1.570 177.717 176.117 0.050 0.000 1.091 73 I CA 1.062 62.413 61.300 0.084 0.000 1.368 73 I CB -0.219 37.817 38.000 0.059 0.000 1.058 73 I HN 0.083 nan 8.210 nan 0.000 0.410 74 D N 0.502 120.915 120.400 0.023 0.000 2.117 74 D HA -0.214 4.426 4.640 0.000 0.000 0.197 74 D C 2.242 178.492 176.300 -0.083 0.000 0.987 74 D CA 1.307 55.295 54.000 -0.020 0.000 0.829 74 D CB -0.209 40.578 40.800 -0.022 0.000 0.961 74 D HN 0.126 nan 8.370 nan 0.000 0.460 75 R N -1.026 119.391 120.500 -0.138 0.000 2.127 75 R HA 0.048 4.388 4.340 0.000 0.000 0.217 75 R C 1.435 177.329 176.300 -0.676 0.000 1.074 75 R CA 0.997 56.840 56.100 -0.430 0.000 0.991 75 R CB -0.048 29.918 30.300 -0.557 0.000 0.895 75 R HN 0.143 nan 8.270 nan 0.000 0.450 76 F N -2.636 117.318 119.950 0.005 0.000 2.581 76 F HA 0.218 4.745 4.527 0.000 0.000 0.278 76 F C 1.789 177.592 175.800 0.006 0.000 1.000 76 F CA -0.059 57.944 58.000 0.005 0.000 1.230 76 F CB -0.048 38.956 39.000 0.006 0.000 1.008 76 F HN -0.264 nan 8.300 nan 0.000 0.695 77 V N 0.439 120.461 119.914 0.180 0.000 2.283 77 V HA -0.206 3.914 4.120 0.000 0.000 0.243 77 V C 2.612 178.741 176.094 0.058 0.000 1.039 77 V CA 1.932 64.295 62.300 0.106 0.000 1.016 77 V CB -1.214 30.660 31.823 0.086 0.000 0.650 77 V HN 0.303 nan 8.190 nan 0.000 0.449 78 A N 0.759 123.600 122.820 0.035 0.000 1.873 78 A HA -0.186 4.134 4.320 0.000 0.000 0.218 78 A C 0.569 178.157 177.584 0.006 0.000 1.193 78 A CA 2.454 54.499 52.037 0.013 0.000 0.629 78 A CB -2.094 16.904 19.000 -0.002 0.000 0.826 78 A HN 0.531 nan 8.150 nan 0.000 0.447 79 P HA -0.124 nan 4.420 nan 0.000 0.218 79 P C 1.355 178.662 177.300 0.012 0.000 1.148 79 P CA 0.868 63.964 63.100 -0.007 0.000 0.822 79 P CB -0.094 31.589 31.700 -0.028 0.000 0.784 80 L N -1.989 119.253 121.223 0.031 0.000 2.240 80 L HA -0.051 4.289 4.340 0.000 0.000 0.211 80 L C 2.122 179.005 176.870 0.022 0.000 1.106 80 L CA 1.030 55.890 54.840 0.034 0.000 0.793 80 L CB -0.388 41.702 42.059 0.051 0.000 0.927 80 L HN -0.002 nan 8.230 nan 0.000 0.446 81 L N -1.015 120.219 121.223 0.019 0.000 2.408 81 L HA 0.108 4.448 4.340 0.000 0.000 0.215 81 L C 0.682 177.556 176.870 0.006 0.000 1.081 81 L CA -0.370 54.477 54.840 0.012 0.000 0.840 81 L CB 0.294 42.361 42.059 0.014 0.000 1.002 81 L HN 0.034 nan 8.230 nan 0.000 0.468 82 I N 1.728 122.301 120.570 0.004 0.000 2.742 82 I HA 0.004 4.175 4.170 0.000 0.000 0.287 82 I C 1.452 177.568 176.117 -0.002 0.000 1.186 82 I CA 1.333 62.633 61.300 0.000 0.000 1.417 82 I CB -0.353 37.645 38.000 -0.002 0.000 1.377 82 I HN 0.437 nan 8.210 nan 0.000 0.556 83 G N 5.177 113.974 108.800 -0.004 0.000 2.213 83 G HA2 -0.183 3.778 3.960 0.000 0.000 0.236 83 G HA3 -0.183 3.778 3.960 0.000 0.000 0.236 83 G C 0.374 175.268 174.900 -0.010 0.000 0.991 83 G CA -0.456 44.639 45.100 -0.009 0.000 0.629 83 G HN 0.525 nan 8.290 nan 0.000 0.517 84 Q N 0.846 120.643 119.800 -0.006 0.000 2.306 84 Q HA 0.406 4.747 4.340 0.000 0.000 0.241 84 Q C -0.351 175.645 176.000 -0.007 0.000 0.948 84 Q CA -0.417 55.383 55.803 -0.005 0.000 0.886 84 Q CB 1.124 29.861 28.738 -0.001 0.000 1.227 84 Q HN 0.368 nan 8.270 nan 0.000 0.457 85 D N 0.323 120.718 120.400 -0.008 0.000 2.346 85 D HA 0.147 4.787 4.640 0.000 0.000 0.260 85 D C 0.500 176.797 176.300 -0.006 0.000 1.252 85 D CA 0.086 54.081 54.000 -0.008 0.000 0.895 85 D CB 0.702 41.497 40.800 -0.009 0.000 1.097 85 D HN 0.538 nan 8.370 nan 0.000 0.489 86 A N 3.137 125.954 122.820 -0.005 0.000 2.121 86 A HA -0.116 4.204 4.320 0.000 0.000 0.218 86 A C 2.029 179.609 177.584 -0.007 0.000 1.154 86 A CA 1.387 53.420 52.037 -0.005 0.000 0.679 86 A CB -0.435 18.562 19.000 -0.005 0.000 0.795 86 A HN 0.597 nan 8.150 nan 0.000 0.458 87 S N -0.502 115.195 115.700 -0.006 0.000 2.522 87 S HA 0.001 4.471 4.470 0.000 0.000 0.227 87 S C 0.713 175.310 174.600 -0.006 0.000 0.986 87 S CA 0.411 58.608 58.200 -0.006 0.000 0.929 87 S CB -0.264 62.934 63.200 -0.005 0.000 0.769 87 S HN 0.435 nan 8.310 nan 0.000 0.529 88 N N 1.236 119.933 118.700 -0.005 0.000 2.817 88 N HA 0.371 5.111 4.740 0.000 0.000 0.234 88 N C 0.427 175.934 175.510 -0.005 0.000 1.066 88 N CA -0.362 52.685 53.050 -0.005 0.000 0.926 88 N CB 0.245 38.730 38.487 -0.004 0.000 1.176 88 N HN 0.321 nan 8.380 nan 0.000 0.506 89 I N 1.336 121.903 120.570 -0.006 0.000 2.315 89 I HA -0.213 3.957 4.170 0.000 0.000 0.248 89 I C 2.024 178.138 176.117 -0.004 0.000 1.117 89 I CA 0.574 61.870 61.300 -0.007 0.000 1.404 89 I CB -0.084 37.910 38.000 -0.010 0.000 1.071 89 I HN 0.409 nan 8.210 nan 0.000 0.419 90 N N 1.584 120.283 118.700 -0.003 0.000 2.084 90 N HA -0.173 4.567 4.740 0.000 0.000 0.190 90 N C 1.840 177.350 175.510 -0.001 0.000 1.030 90 N CA 1.931 54.980 53.050 -0.001 0.000 0.849 90 N CB -0.113 38.373 38.487 -0.001 0.000 1.012 90 N HN 0.313 nan 8.380 nan 0.000 0.423 91 A N 0.220 123.039 122.820 -0.001 0.000 1.902 91 A HA 0.083 4.403 4.320 0.000 0.000 0.217 91 A C 2.362 179.946 177.584 0.001 0.000 1.181 91 A CA 1.926 53.963 52.037 -0.000 0.000 0.623 91 A CB -1.256 17.744 19.000 -0.001 0.000 0.818 91 A HN 0.452 nan 8.150 nan 0.000 0.443 92 A N -0.837 121.984 122.820 0.001 0.000 1.902 92 A HA -0.121 4.199 4.320 0.000 0.000 0.217 92 A C 2.140 179.727 177.584 0.006 0.000 1.181 92 A CA 2.021 54.060 52.037 0.003 0.000 0.623 92 A CB -0.459 18.542 19.000 0.002 0.000 0.818 92 A HN 0.423 nan 8.150 nan 0.000 0.443 93 M N -0.585 119.017 119.600 0.003 0.000 2.254 93 M HA 0.068 4.548 4.480 0.000 0.000 0.265 93 M C 2.004 178.307 176.300 0.006 0.000 1.066 93 M CA 0.998 56.301 55.300 0.005 0.000 1.123 93 M CB -1.264 31.336 32.600 0.001 0.000 1.388 93 M HN 0.369 nan 8.290 nan 0.000 0.425 94 L N -0.878 120.348 121.223 0.004 0.000 2.179 94 L HA -0.116 4.225 4.340 0.000 0.000 0.208 94 L C 2.689 179.562 176.870 0.006 0.000 1.096 94 L CA 0.696 55.538 54.840 0.004 0.000 0.779 94 L CB -0.510 41.550 42.059 0.002 0.000 0.922 94 L HN 0.283 nan 8.230 nan 0.000 0.443 95 R N 0.125 120.629 120.500 0.007 0.000 2.096 95 R HA -0.183 4.157 4.340 0.000 0.000 0.235 95 R C 2.215 178.525 176.300 0.015 0.000 1.127 95 R CA 1.292 57.399 56.100 0.011 0.000 0.968 95 R CB -0.035 30.271 30.300 0.011 0.000 0.861 95 R HN 0.169 nan 8.270 nan 0.000 0.440 96 L N 0.991 122.224 121.223 0.016 0.000 2.056 96 L HA -0.086 4.254 4.340 0.000 0.000 0.207 96 L C 2.218 179.096 176.870 0.014 0.000 1.078 96 L CA 1.734 56.587 54.840 0.021 0.000 0.749 96 L CB -0.713 41.359 42.059 0.023 0.000 0.901 96 L HN 0.149 nan 8.230 nan 0.000 0.433 97 E N -0.653 119.553 120.200 0.009 0.000 2.204 97 E HA -0.212 4.138 4.350 0.000 0.000 0.195 97 E C 2.177 178.778 176.600 0.001 0.000 0.990 97 E CA 1.039 57.441 56.400 0.004 0.000 0.821 97 E CB -0.011 29.691 29.700 0.003 0.000 0.750 97 E HN 0.502 nan 8.360 nan 0.000 0.477 98 Q N -1.125 118.677 119.800 0.003 0.000 2.167 98 Q HA 0.005 4.346 4.340 0.000 0.000 0.202 98 Q C 1.423 177.423 176.000 -0.000 0.000 0.970 98 Q CA 1.444 57.248 55.803 0.002 0.000 0.855 98 Q CB 0.268 29.009 28.738 0.005 0.000 0.911 98 Q HN 0.122 nan 8.270 nan 0.000 0.438 99 S N -0.589 115.113 115.700 0.003 0.000 2.578 99 S HA 0.277 4.747 4.470 0.000 0.000 0.228 99 S C 0.288 174.873 174.600 -0.026 0.000 1.022 99 S CA -0.144 58.055 58.200 -0.001 0.000 0.967 99 S CB 0.912 64.126 63.200 0.024 0.000 0.914 99 S HN 0.125 nan 8.310 nan 0.000 0.515 100 I N 2.744 123.301 120.570 -0.022 0.000 2.439 100 I HA 0.412 4.582 4.170 0.000 0.000 0.285 100 I C -0.554 175.541 176.117 -0.036 0.000 1.021 100 I CA -0.742 60.532 61.300 -0.044 0.000 1.091 100 I CB 1.318 39.309 38.000 -0.016 0.000 1.242 100 I HN -0.151 nan 8.210 nan 0.000 0.439 101 R N 4.040 124.507 120.500 -0.054 0.000 2.357 101 R HA 0.578 4.918 4.340 0.000 0.000 0.296 101 R C 0.703 176.988 176.300 -0.025 0.000 1.052 101 R CA 0.202 56.281 56.100 -0.036 0.000 0.988 101 R CB 1.205 31.479 30.300 -0.044 0.000 1.025 101 R HN 0.921 nan 8.270 nan 0.000 0.469 102 G N 2.944 111.742 108.800 -0.004 0.000 2.574 102 G HA2 -0.404 3.556 3.960 0.000 0.000 0.286 102 G HA3 -0.404 3.556 3.960 0.000 0.000 0.286 102 G C -0.131 174.788 174.900 0.032 0.000 1.212 102 G CA 0.335 45.444 45.100 0.016 0.000 0.979 102 G HN 0.811 nan 8.290 nan 0.000 0.557 103 N N -0.108 118.621 118.700 0.049 0.000 2.727 103 N HA -0.251 4.489 4.740 0.000 0.000 0.249 103 N C 1.560 177.138 175.510 0.114 0.000 1.048 103 N CA 1.983 55.078 53.050 0.075 0.000 0.714 103 N CB -1.336 37.177 38.487 0.043 0.000 0.959 103 N HN 1.526 nan 8.380 nan 0.000 0.544 104 T N -3.547 111.097 114.554 0.150 0.000 2.867 104 T HA -0.089 4.262 4.350 0.000 0.000 0.268 104 T C 1.578 176.349 174.700 0.118 0.000 1.057 104 T CA 0.891 63.057 62.100 0.111 0.000 1.136 104 T CB -0.402 68.513 68.868 0.078 0.000 0.874 104 T HN 0.318 nan 8.240 nan 0.000 0.466 105 F N 2.104 122.056 119.950 0.004 0.000 2.134 105 F HA 0.096 4.623 4.527 0.001 0.000 0.299 105 F C 3.037 178.840 175.800 0.005 0.000 1.097 105 F CA 0.912 58.914 58.000 0.004 0.000 1.264 105 F CB -0.543 38.461 39.000 0.007 0.000 1.001 105 F HN 0.258 nan 8.300 nan 0.000 0.479 106 A N 0.102 123.046 122.820 0.207 0.000 1.873 106 A HA -0.195 4.125 4.320 0.000 0.000 0.215 106 A C 2.116 179.743 177.584 0.071 0.000 1.186 106 A CA 1.625 53.733 52.037 0.118 0.000 0.616 106 A CB -0.588 18.473 19.000 0.100 0.000 0.823 106 A HN 0.303 nan 8.150 nan 0.000 0.442 107 K N -0.337 120.099 120.400 0.061 0.000 2.097 107 K HA -0.116 4.204 4.320 0.000 0.000 0.206 107 K C 2.424 179.027 176.600 0.005 0.000 1.049 107 K CA 1.354 57.660 56.287 0.030 0.000 0.933 107 K CB -0.216 32.299 32.500 0.025 0.000 0.717 107 K HN 0.449 nan 8.250 nan 0.000 0.442 108 S N 0.238 115.930 115.700 -0.012 0.000 2.368 108 S HA -0.119 4.351 4.470 0.000 0.000 0.225 108 S C 2.102 176.681 174.600 -0.036 0.000 1.030 108 S CA 1.557 59.726 58.200 -0.051 0.000 0.999 108 S CB -0.505 62.625 63.200 -0.117 0.000 0.844 108 S HN 0.484 nan 8.310 nan 0.000 0.459 109 G N 1.812 110.607 108.800 -0.009 0.000 2.418 109 G HA2 -0.100 3.860 3.960 0.000 0.000 0.217 109 G HA3 -0.100 3.860 3.960 0.000 0.000 0.217 109 G C 1.413 176.311 174.900 -0.003 0.000 1.158 109 G CA 0.860 45.959 45.100 -0.001 0.000 0.771 109 G HN 0.493 nan 8.290 nan 0.000 0.545 110 I N 0.976 121.550 120.570 0.006 0.000 2.179 110 I HA -0.117 4.053 4.170 0.000 0.000 0.242 110 I C 2.513 178.625 176.117 -0.008 0.000 1.088 110 I CA 1.345 62.648 61.300 0.005 0.000 1.357 110 I CB -0.997 37.012 38.000 0.015 0.000 1.051 110 I HN 0.352 nan 8.210 nan 0.000 0.409 111 E N 0.688 120.879 120.200 -0.014 0.000 2.106 111 E HA -0.166 4.184 4.350 0.000 0.000 0.192 111 E C 2.284 178.862 176.600 -0.037 0.000 0.984 111 E CA 1.346 57.732 56.400 -0.023 0.000 0.806 111 E CB 0.235 29.919 29.700 -0.026 0.000 0.750 111 E HN 0.338 nan 8.360 nan 0.000 0.458 112 S N 0.456 116.130 115.700 -0.044 0.000 2.370 112 S HA -0.190 4.280 4.470 0.000 0.000 0.226 112 S C 2.039 176.607 174.600 -0.053 0.000 1.033 112 S CA 1.058 59.222 58.200 -0.059 0.000 1.011 112 S CB -0.262 62.901 63.200 -0.061 0.000 0.852 112 S HN 0.472 nan 8.310 nan 0.000 0.457 113 A N 1.398 124.197 122.820 -0.035 0.000 1.902 113 A HA -0.019 4.301 4.320 0.000 0.000 0.217 113 A C 2.136 179.702 177.584 -0.030 0.000 1.181 113 A CA 1.194 53.214 52.037 -0.028 0.000 0.623 113 A CB -0.754 18.238 19.000 -0.014 0.000 0.818 113 A HN 0.450 nan 8.150 nan 0.000 0.443 114 L N -0.792 120.415 121.223 -0.026 0.000 2.083 114 L HA -0.172 4.168 4.340 0.000 0.000 0.209 114 L C 2.565 179.414 176.870 -0.034 0.000 1.083 114 L CA 0.999 55.824 54.840 -0.024 0.000 0.752 114 L CB -0.465 41.584 42.059 -0.018 0.000 0.899 114 L HN 0.380 nan 8.230 nan 0.000 0.433 115 L N -0.536 120.659 121.223 -0.046 0.000 2.056 115 L HA -0.226 4.114 4.340 0.000 0.000 0.207 115 L C 2.264 179.088 176.870 -0.078 0.000 1.078 115 L CA 1.273 56.076 54.840 -0.061 0.000 0.749 115 L CB -0.489 41.525 42.059 -0.075 0.000 0.901 115 L HN 0.277 nan 8.230 nan 0.000 0.433 116 D N 0.082 120.432 120.400 -0.084 0.000 2.097 116 D HA -0.193 4.447 4.640 0.000 0.000 0.195 116 D C 2.138 178.402 176.300 -0.060 0.000 0.989 116 D CA 1.498 55.444 54.000 -0.090 0.000 0.827 116 D CB 0.137 40.891 40.800 -0.077 0.000 0.966 116 D HN 0.244 nan 8.370 nan 0.000 0.456 117 A N -0.172 122.623 122.820 -0.042 0.000 1.902 117 A HA -0.190 4.130 4.320 0.000 0.000 0.217 117 A C 2.204 179.772 177.584 -0.026 0.000 1.181 117 A CA 1.905 53.925 52.037 -0.028 0.000 0.623 117 A CB -0.874 18.114 19.000 -0.019 0.000 0.818 117 A HN 0.302 nan 8.150 nan 0.000 0.443 118 Q N 0.024 119.807 119.800 -0.029 0.000 2.167 118 Q HA -0.003 4.337 4.340 0.000 0.000 0.202 118 Q C 1.878 177.862 176.000 -0.026 0.000 0.970 118 Q CA 1.906 57.695 55.803 -0.023 0.000 0.855 118 Q CB -0.948 27.776 28.738 -0.022 0.000 0.911 118 Q HN 0.502 nan 8.270 nan 0.000 0.438 119 G N 0.341 109.117 108.800 -0.040 0.000 2.402 119 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 119 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 119 G C 1.304 176.186 174.900 -0.030 0.000 1.162 119 G CA 0.790 45.865 45.100 -0.042 0.000 0.777 119 G HN 0.365 nan 8.290 nan 0.000 0.539 120 K N -0.084 120.297 120.400 -0.030 0.000 2.057 120 K HA -0.038 4.282 4.320 0.000 0.000 0.207 120 K C 2.541 179.133 176.600 -0.012 0.000 1.049 120 K CA 0.973 57.248 56.287 -0.020 0.000 0.931 120 K CB -0.151 32.337 32.500 -0.019 0.000 0.714 120 K HN 0.192 nan 8.250 nan 0.000 0.440 121 R N 1.146 121.638 120.500 -0.012 0.000 2.096 121 R HA -0.095 4.245 4.340 0.000 0.000 0.235 121 R C 1.759 178.056 176.300 -0.005 0.000 1.127 121 R CA 1.242 57.338 56.100 -0.007 0.000 0.968 121 R CB -0.027 30.269 30.300 -0.006 0.000 0.861 121 R HN 0.160 nan 8.270 nan 0.000 0.440 122 L N -0.773 120.446 121.223 -0.007 0.000 2.585 122 L HA 0.275 4.616 4.340 0.000 0.000 0.226 122 L C 0.919 177.788 176.870 -0.002 0.000 1.113 122 L CA 0.358 55.196 54.840 -0.004 0.000 0.876 122 L CB 0.558 42.614 42.059 -0.004 0.000 1.072 122 L HN 0.546 nan 8.230 nan 0.000 0.468 123 G N 1.404 110.202 108.800 -0.004 0.000 2.198 123 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 123 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 123 G C -0.206 174.694 174.900 0.002 0.000 1.042 123 G CA 0.081 45.180 45.100 -0.002 0.000 0.791 123 G HN 0.248 nan 8.290 nan 0.000 0.502 124 L N 0.061 121.284 121.223 -0.001 0.000 2.388 124 L HA 0.609 4.949 4.340 0.000 0.000 0.264 124 L C -2.015 174.858 176.870 0.005 0.000 0.998 124 L CA -2.696 52.148 54.840 0.007 0.000 0.817 124 L CB 2.641 44.705 42.059 0.007 0.000 1.338 124 L HN -0.099 nan 8.230 nan 0.000 0.414 125 P HA 0.061 nan 4.420 nan 0.000 0.274 125 P C 0.829 178.144 177.300 0.025 0.000 1.237 125 P CA -0.339 62.794 63.100 0.056 0.000 0.793 125 P CB 1.467 33.276 31.700 0.181 0.000 0.977 126 V N 1.675 121.513 119.914 -0.126 0.000 2.392 126 V HA -0.259 3.861 4.120 0.000 0.000 0.249 126 V C 2.740 178.886 176.094 0.086 0.000 1.059 126 V CA 2.866 65.100 62.300 -0.110 0.000 1.051 126 V CB -1.680 29.941 31.823 -0.337 0.000 0.658 126 V HN 0.731 nan 8.190 nan 0.000 0.455 127 S N -0.162 115.741 115.700 0.339 0.000 2.400 127 S HA -0.311 4.159 4.470 0.000 0.000 0.232 127 S C 1.916 176.569 174.600 0.089 0.000 1.025 127 S CA 1.919 60.232 58.200 0.187 0.000 0.993 127 S CB -0.448 62.822 63.200 0.116 0.000 0.808 127 S HN 0.769 nan 8.310 nan 0.000 0.478 128 E N 1.068 121.315 120.200 0.079 0.000 2.112 128 E HA 0.014 4.364 4.350 0.000 0.000 0.190 128 E C 2.025 178.642 176.600 0.028 0.000 0.979 128 E CA 0.688 57.114 56.400 0.043 0.000 0.814 128 E CB -0.186 29.535 29.700 0.035 0.000 0.762 128 E HN 0.588 nan 8.360 nan 0.000 0.460 129 L N 0.680 121.916 121.223 0.022 0.000 2.131 129 L HA -0.163 4.178 4.340 0.000 0.000 0.210 129 L C 2.161 179.038 176.870 0.011 0.000 1.092 129 L CA 0.783 55.627 54.840 0.007 0.000 0.759 129 L CB -0.239 41.815 42.059 -0.008 0.000 0.903 129 L HN 0.244 nan 8.230 nan 0.000 0.435 130 L N -0.694 120.541 121.223 0.020 0.000 2.627 130 L HA 0.118 4.459 4.340 0.000 0.000 0.233 130 L C 1.457 178.342 176.870 0.025 0.000 1.144 130 L CA 0.626 55.479 54.840 0.021 0.000 0.892 130 L CB -0.232 41.843 42.059 0.027 0.000 1.039 130 L HN 0.493 nan 8.230 nan 0.000 0.442 131 G N -0.833 107.981 108.800 0.024 0.000 2.428 131 G HA2 -0.018 3.942 3.960 0.000 0.000 0.199 131 G HA3 -0.018 3.942 3.960 0.000 0.000 0.199 131 G C 0.483 175.397 174.900 0.023 0.000 1.005 131 G CA -0.354 44.759 45.100 0.022 0.000 0.671 131 G HN 0.740 nan 8.290 nan 0.000 0.485 132 G N -0.201 108.615 108.800 0.027 0.000 2.931 132 G HA2 0.512 4.473 3.960 0.000 0.000 0.675 132 G HA3 0.512 4.473 3.960 0.000 0.000 0.675 132 G C -0.282 174.632 174.900 0.023 0.000 1.339 132 G CA 0.384 45.498 45.100 0.024 0.000 0.866 132 G HN 1.447 nan 8.290 nan 0.000 0.616 133 R N 0.062 120.572 120.500 0.017 0.000 2.582 133 R HA 0.667 5.007 4.340 0.000 0.000 0.271 133 R C 0.986 177.290 176.300 0.007 0.000 1.078 133 R CA -0.104 56.001 56.100 0.007 0.000 1.127 133 R CB 1.249 31.541 30.300 -0.012 0.000 1.038 133 R HN 1.318 nan 8.270 nan 0.000 0.500 134 V N -1.994 117.924 119.914 0.008 0.000 3.432 134 V HA 0.298 4.418 4.120 0.000 0.000 0.298 134 V C 0.078 176.172 176.094 0.001 0.000 1.464 134 V CA -0.151 62.153 62.300 0.007 0.000 1.046 134 V CB -1.045 30.785 31.823 0.011 0.000 0.887 134 V HN 0.941 nan 8.190 nan 0.000 0.441 135 R N -1.559 118.939 120.500 -0.003 0.000 2.716 135 R HA 0.529 4.870 4.340 0.000 0.000 0.271 135 R C -1.159 175.126 176.300 -0.024 0.000 1.028 135 R CA -0.423 55.672 56.100 -0.010 0.000 0.883 135 R CB 1.119 31.418 30.300 -0.000 0.000 1.250 135 R HN -0.036 nan 8.270 nan 0.000 0.465 136 D N -0.250 120.132 120.400 -0.030 0.000 2.449 136 D HA 0.242 4.883 4.640 0.000 0.000 0.210 136 D C -0.222 176.039 176.300 -0.065 0.000 1.094 136 D CA 0.406 54.382 54.000 -0.040 0.000 0.846 136 D CB 1.478 42.272 40.800 -0.011 0.000 1.003 136 D HN 0.564 nan 8.370 nan 0.000 0.504 137 A N 0.693 123.466 122.820 -0.079 0.000 2.454 137 A HA 0.747 5.067 4.320 0.000 0.000 0.302 137 A C -1.271 176.318 177.584 0.009 0.000 1.079 137 A CA -0.497 51.449 52.037 -0.151 0.000 0.731 137 A CB 1.519 20.304 19.000 -0.359 0.000 1.299 137 A HN 0.055 nan 8.150 nan 0.000 0.413 138 L N 2.292 123.535 121.223 0.032 0.000 2.410 138 L HA 0.489 4.829 4.340 0.000 0.000 0.270 138 L C -2.402 174.453 176.870 -0.026 0.000 0.983 138 L CA -2.068 52.809 54.840 0.062 0.000 0.822 138 L CB 2.813 44.900 42.059 0.047 0.000 1.285 138 L HN 0.503 nan 8.230 nan 0.000 0.409 139 P HA 0.084 nan 4.420 nan 0.000 0.271 139 P C -0.930 176.302 177.300 -0.113 0.000 1.216 139 P CA -0.124 62.691 63.100 -0.475 0.000 0.776 139 P CB 1.569 33.043 31.700 -0.377 0.000 0.881 140 V N 3.060 122.981 119.914 0.012 0.000 2.444 140 V HA 0.484 4.604 4.120 0.000 0.000 0.294 140 V C 0.718 177.020 176.094 0.347 0.000 1.022 140 V CA -0.747 61.696 62.300 0.238 0.000 0.850 140 V CB 1.228 33.308 31.823 0.428 0.000 0.992 140 V HN 0.756 nan 8.190 nan 0.000 0.426 141 A N 5.239 128.230 122.820 0.283 0.000 2.267 141 A HA 0.707 5.028 4.320 0.000 0.000 0.271 141 A C -0.623 177.085 177.584 0.207 0.000 1.131 141 A CA -0.457 51.703 52.037 0.205 0.000 0.818 141 A CB 0.861 19.993 19.000 0.220 0.000 1.118 141 A HN 0.967 nan 8.150 nan 0.000 0.501 142 W N 0.135 121.253 121.300 -0.304 0.000 3.097 142 W HA 0.407 5.067 4.660 0.000 0.000 0.335 142 W C -1.487 174.827 176.519 -0.340 0.000 1.114 142 W CA -0.319 56.629 57.345 -0.661 0.000 1.231 142 W CB 1.854 30.826 29.460 -0.812 0.000 1.388 142 W HN 0.635 nan 8.180 nan 0.000 0.485 143 T N 6.230 120.030 114.554 -1.256 0.000 2.780 143 T HA 0.361 4.711 4.350 0.000 0.000 0.294 143 T C 0.131 174.382 174.700 -0.748 0.000 0.949 143 T CA -0.176 61.511 62.100 -0.687 0.000 1.074 143 T CB 0.724 69.325 68.868 -0.445 0.000 0.910 143 T HN 0.224 nan 8.240 nan 0.000 0.501 144 L N 3.103 124.180 121.223 -0.244 0.000 2.268 144 L HA 0.503 4.843 4.340 0.000 0.000 0.289 144 L C 0.902 177.724 176.870 -0.079 0.000 1.064 144 L CA -0.568 54.213 54.840 -0.100 0.000 0.824 144 L CB 0.712 42.771 42.059 -0.000 0.000 1.202 144 L HN 0.775 nan 8.230 nan 0.000 0.433 145 A N 1.212 123.974 122.820 -0.097 0.000 2.594 145 A HA 0.116 4.436 4.320 0.000 0.000 0.287 145 A C 1.655 179.232 177.584 -0.011 0.000 1.227 145 A CA 0.276 52.280 52.037 -0.055 0.000 0.952 145 A CB 0.075 19.014 19.000 -0.102 0.000 1.161 145 A HN 0.718 nan 8.150 nan 0.000 0.524 146 S N -1.040 114.671 115.700 0.018 0.000 2.428 146 S HA 0.235 4.705 4.470 0.000 0.000 0.230 146 S C 1.736 176.340 174.600 0.006 0.000 1.014 146 S CA 1.485 59.698 58.200 0.022 0.000 0.957 146 S CB -0.360 62.863 63.200 0.038 0.000 0.784 146 S HN 1.906 nan 8.310 nan 0.000 0.499 147 G N 0.764 109.567 108.800 0.005 0.000 2.205 147 G HA2 -0.289 3.671 3.960 0.000 0.000 0.261 147 G HA3 -0.289 3.671 3.960 0.000 0.000 0.261 147 G C -0.192 174.628 174.900 -0.133 0.000 0.980 147 G CA 0.366 45.414 45.100 -0.086 0.000 0.632 147 G HN 0.784 nan 8.290 nan 0.000 0.533 148 D N -0.424 119.974 120.400 -0.004 0.000 2.303 148 D HA 0.647 5.288 4.640 0.000 0.000 0.236 148 D C 1.662 178.057 176.300 0.159 0.000 1.068 148 D CA 0.394 54.411 54.000 0.028 0.000 0.830 148 D CB 0.984 41.799 40.800 0.024 0.000 1.109 148 D HN -0.051 nan 8.370 nan 0.000 0.496 149 T N 2.461 117.146 114.554 0.218 0.000 2.635 149 T HA -0.203 4.147 4.350 0.000 0.000 0.267 149 T C 1.884 176.639 174.700 0.092 0.000 1.040 149 T CA 1.637 63.891 62.100 0.256 0.000 1.156 149 T CB -0.313 68.698 68.868 0.238 0.000 0.863 149 T HN 0.573 nan 8.240 nan 0.000 0.430 150 A N 1.734 124.591 122.820 0.062 0.000 1.877 150 A HA -0.154 4.167 4.320 0.000 0.000 0.216 150 A C 2.280 179.875 177.584 0.018 0.000 1.186 150 A CA 1.738 53.791 52.037 0.027 0.000 0.620 150 A CB -0.490 18.523 19.000 0.023 0.000 0.822 150 A HN 0.485 nan 8.150 nan 0.000 0.443 151 K N -0.456 119.962 120.400 0.030 0.000 2.057 151 K HA -0.147 4.173 4.320 0.000 0.000 0.207 151 K C 1.531 178.140 176.600 0.015 0.000 1.049 151 K CA 1.449 57.750 56.287 0.024 0.000 0.931 151 K CB -0.257 32.263 32.500 0.032 0.000 0.714 151 K HN 0.423 nan 8.250 nan 0.000 0.440 152 D N 0.990 121.405 120.400 0.026 0.000 2.117 152 D HA -0.117 4.524 4.640 0.000 0.000 0.197 152 D C 1.924 178.166 176.300 -0.096 0.000 0.987 152 D CA 0.997 54.988 54.000 -0.014 0.000 0.829 152 D CB -0.163 40.640 40.800 0.004 0.000 0.961 152 D HN 0.180 nan 8.370 nan 0.000 0.460 153 I N 1.207 121.727 120.570 -0.083 0.000 2.179 153 I HA -0.254 3.916 4.170 0.000 0.000 0.242 153 I C 2.499 178.555 176.117 -0.102 0.000 1.088 153 I CA 1.012 62.245 61.300 -0.112 0.000 1.357 153 I CB -0.228 37.732 38.000 -0.067 0.000 1.051 153 I HN -0.077 nan 8.210 nan 0.000 0.409 154 A N 0.217 123.003 122.820 -0.057 0.000 1.902 154 A HA -0.268 4.052 4.320 0.000 0.000 0.217 154 A C 2.313 179.867 177.584 -0.050 0.000 1.181 154 A CA 1.932 53.945 52.037 -0.040 0.000 0.623 154 A CB -0.639 18.351 19.000 -0.016 0.000 0.818 154 A HN 0.484 nan 8.150 nan 0.000 0.443 155 E N -0.283 119.888 120.200 -0.047 0.000 2.077 155 E HA -0.105 4.245 4.350 0.000 0.000 0.193 155 E C 2.164 178.706 176.600 -0.097 0.000 0.989 155 E CA 0.928 57.310 56.400 -0.030 0.000 0.800 155 E CB -0.232 29.495 29.700 0.045 0.000 0.746 155 E HN 0.548 nan 8.360 nan 0.000 0.452 156 A N 0.900 123.563 122.820 -0.262 0.000 1.877 156 A HA -0.248 4.072 4.320 0.000 0.000 0.216 156 A C 2.057 179.512 177.584 -0.215 0.000 1.186 156 A CA 1.646 53.312 52.037 -0.619 0.000 0.620 156 A CB -0.561 17.817 19.000 -1.037 0.000 0.822 156 A HN 0.319 nan 8.150 nan 0.000 0.443 157 Q N -0.634 119.091 119.800 -0.126 0.000 2.170 157 Q HA -0.189 4.151 4.340 0.000 0.000 0.203 157 Q C 2.155 178.167 176.000 0.020 0.000 0.976 157 Q CA 1.625 57.416 55.803 -0.020 0.000 0.858 157 Q CB -0.198 28.525 28.738 -0.024 0.000 0.907 157 Q HN 0.752 nan 8.270 nan 0.000 0.433 158 K N 0.407 120.803 120.400 -0.006 0.000 2.025 158 K HA -0.129 4.191 4.320 0.000 0.000 0.207 158 K C 1.977 178.587 176.600 0.016 0.000 1.049 158 K CA 1.102 57.387 56.287 -0.003 0.000 0.933 158 K CB 0.117 32.603 32.500 -0.024 0.000 0.714 158 K HN 0.112 nan 8.250 nan 0.000 0.438 159 M N 0.981 120.611 119.600 0.050 0.000 2.229 159 M HA -0.096 4.384 4.480 0.000 0.000 0.264 159 M C 2.137 178.561 176.300 0.206 0.000 1.063 159 M CA 1.229 56.591 55.300 0.103 0.000 1.114 159 M CB -0.727 32.011 32.600 0.231 0.000 1.387 159 M HN 0.208 nan 8.290 nan 0.000 0.420 160 L N -0.275 121.119 121.223 0.285 0.000 2.027 160 L HA -0.212 4.128 4.340 0.000 0.000 0.206 160 L C 2.179 179.175 176.870 0.211 0.000 1.074 160 L CA 1.368 56.412 54.840 0.341 0.000 0.745 160 L CB -0.613 41.617 42.059 0.284 0.000 0.898 160 L HN 0.239 nan 8.230 nan 0.000 0.433 161 D N 0.275 120.741 120.400 0.111 0.000 2.144 161 D HA -0.181 4.459 4.640 0.000 0.000 0.199 161 D C 2.051 178.353 176.300 0.004 0.000 0.984 161 D CA 1.172 55.206 54.000 0.056 0.000 0.834 161 D CB 0.012 40.830 40.800 0.029 0.000 0.955 161 D HN 0.216 nan 8.370 nan 0.000 0.465 162 L N -0.368 120.837 121.223 -0.030 0.000 2.599 162 L HA 0.228 4.568 4.340 0.000 0.000 0.230 162 L C 0.540 177.286 176.870 -0.207 0.000 1.141 162 L CA 0.068 54.849 54.840 -0.099 0.000 0.877 162 L CB -0.222 41.773 42.059 -0.106 0.000 1.009 162 L HN 0.039 nan 8.230 nan 0.000 0.447 163 R N -0.168 120.184 120.500 -0.247 0.000 3.525 163 R HA -0.218 4.122 4.340 0.000 0.000 0.276 163 R C 1.261 176.967 176.300 -0.990 0.000 1.116 163 R CA 0.367 55.986 56.100 -0.801 0.000 0.745 163 R CB -1.424 28.462 30.300 -0.691 0.000 1.185 163 R HN 0.423 nan 8.270 nan 0.000 0.454 164 R N -0.725 119.473 120.500 -0.504 0.000 2.123 164 R HA 0.105 4.445 4.340 0.000 0.000 0.209 164 R C 0.103 176.000 176.300 -0.671 0.000 1.078 164 R CA 0.985 56.741 56.100 -0.574 0.000 1.028 164 R CB 0.313 30.314 30.300 -0.498 0.000 0.939 164 R HN 0.360 nan 8.270 nan 0.000 0.463 165 H N -1.347 117.839 119.070 0.193 0.000 2.996 165 H HA 0.286 4.843 4.556 0.000 0.000 0.368 165 H C -0.230 175.171 175.328 0.122 0.000 1.185 165 H CA -0.800 55.356 56.048 0.181 0.000 1.160 165 H CB 1.561 31.278 29.762 -0.075 0.000 1.820 165 H HN -0.021 nan 8.280 nan 0.000 0.547 166 R N 1.519 121.934 120.500 -0.141 0.000 2.538 166 R HA 0.370 4.710 4.340 0.000 0.000 0.372 166 R C -0.946 175.076 176.300 -0.464 0.000 0.950 166 R CA 0.015 55.921 56.100 -0.324 0.000 1.168 166 R CB 0.581 30.524 30.300 -0.595 0.000 1.542 166 R HN 0.359 nan 8.270 nan 0.000 0.536 167 I N 1.656 121.833 120.570 -0.656 0.000 2.466 167 I HA 0.456 4.626 4.170 0.000 0.000 0.289 167 I C -1.231 174.495 176.117 -0.651 0.000 1.026 167 I CA -1.036 60.018 61.300 -0.410 0.000 1.078 167 I CB 1.702 39.628 38.000 -0.124 0.000 1.249 167 I HN -0.140 nan 8.210 nan 0.000 0.429 168 F N 4.703 124.723 119.950 0.117 0.000 2.532 168 F HA 0.538 5.066 4.527 0.001 0.000 0.321 168 F C 0.018 175.850 175.800 0.054 0.000 1.089 168 F CA -0.841 57.215 58.000 0.093 0.000 0.926 168 F CB 1.902 40.953 39.000 0.084 0.000 1.168 168 F HN 0.259 nan 8.300 nan 0.000 0.459 169 K N 3.636 124.147 120.400 0.186 0.000 2.292 169 K HA 0.743 5.064 4.320 0.000 0.000 0.257 169 K C -1.810 174.820 176.600 0.050 0.000 0.940 169 K CA -0.476 55.870 56.287 0.097 0.000 0.811 169 K CB 1.211 33.771 32.500 0.099 0.000 1.120 169 K HN 0.742 nan 8.250 nan 0.000 0.428 170 L N 4.308 125.551 121.223 0.034 0.000 2.333 170 L HA 0.441 4.781 4.340 0.000 0.000 0.280 170 L C -0.439 176.436 176.870 0.009 0.000 1.004 170 L CA -0.873 53.983 54.840 0.026 0.000 0.820 170 L CB 1.872 43.946 42.059 0.025 0.000 1.247 170 L HN 0.540 nan 8.230 nan 0.000 0.416 171 K N 5.380 125.785 120.400 0.008 0.000 2.276 171 K HA 0.587 4.907 4.320 0.000 0.000 0.285 171 K C -0.566 176.027 176.600 -0.011 0.000 1.062 171 K CA -0.198 56.077 56.287 -0.019 0.000 0.918 171 K CB 1.181 33.673 32.500 -0.014 0.000 1.055 171 K HN 0.493 nan 8.250 nan 0.000 0.477 172 I N -2.772 117.754 120.570 -0.074 0.000 3.322 172 I HA 0.722 4.892 4.170 0.000 0.000 0.313 172 I C 0.629 176.636 176.117 -0.184 0.000 1.129 172 I CA -0.827 60.436 61.300 -0.062 0.000 0.963 172 I CB 2.187 40.188 38.000 0.001 0.000 1.273 172 I HN 0.669 nan 8.210 nan 0.000 0.473 173 G N 0.708 109.450 108.800 -0.097 0.000 2.278 173 G HA2 -0.203 3.757 3.960 0.000 0.000 0.210 173 G HA3 -0.203 3.757 3.960 0.000 0.000 0.210 173 G C 0.862 175.774 174.900 0.021 0.000 1.000 173 G CA 0.526 45.538 45.100 -0.146 0.000 0.635 173 G HN 1.254 nan 8.290 nan 0.000 0.495 174 A N 0.572 123.398 122.820 0.010 0.000 2.021 174 A HA 0.633 4.953 4.320 0.000 0.000 0.216 174 A C 1.792 179.402 177.584 0.043 0.000 1.163 174 A CA 2.162 54.211 52.037 0.021 0.000 0.676 174 A CB -0.401 18.600 19.000 0.002 0.000 0.818 174 A HN 1.706 nan 8.150 nan 0.000 0.453 175 G N -0.961 107.873 108.800 0.057 0.000 2.568 175 G HA2 0.423 4.383 3.960 0.000 0.000 0.293 175 G HA3 0.423 4.383 3.960 0.000 0.000 0.293 175 G C -0.434 174.519 174.900 0.088 0.000 1.347 175 G CA -0.434 44.698 45.100 0.053 0.000 1.039 175 G HN 0.141 nan 8.290 nan 0.000 0.523 176 E N -0.253 119.984 120.200 0.061 0.000 2.376 176 E HA -0.033 4.318 4.350 0.000 0.000 0.266 176 E C 1.572 178.222 176.600 0.085 0.000 1.009 176 E CA -0.202 56.232 56.400 0.058 0.000 0.902 176 E CB 1.463 31.180 29.700 0.030 0.000 0.972 176 E HN 0.146 nan 8.360 nan 0.000 0.439 177 V N 5.565 125.523 119.914 0.075 0.000 2.250 177 V HA -0.315 3.805 4.120 0.000 0.000 0.250 177 V C 1.383 177.507 176.094 0.050 0.000 1.060 177 V CA 2.648 64.987 62.300 0.065 0.000 1.030 177 V CB -0.225 31.515 31.823 -0.137 0.000 0.643 177 V HN 0.695 nan 8.190 nan 0.000 0.445 178 D N -0.829 119.576 120.400 0.008 0.000 2.218 178 D HA -0.187 4.453 4.640 0.000 0.000 0.204 178 D C 2.240 178.569 176.300 0.047 0.000 0.976 178 D CA 1.633 55.642 54.000 0.014 0.000 0.853 178 D CB -0.260 40.538 40.800 -0.004 0.000 0.939 178 D HN 0.549 nan 8.370 nan 0.000 0.481 179 R N 0.681 121.214 120.500 0.055 0.000 2.090 179 R HA -0.103 4.237 4.340 0.000 0.000 0.228 179 R C 1.435 177.797 176.300 0.103 0.000 1.110 179 R CA 1.152 57.289 56.100 0.061 0.000 0.973 179 R CB 0.164 30.486 30.300 0.036 0.000 0.869 179 R HN -0.087 nan 8.270 nan 0.000 0.440 180 D N 0.681 121.160 120.400 0.130 0.000 2.117 180 D HA -0.138 4.502 4.640 0.000 0.000 0.198 180 D C 1.966 178.396 176.300 0.217 0.000 0.982 180 D CA 1.127 55.240 54.000 0.189 0.000 0.828 180 D CB -0.097 40.845 40.800 0.237 0.000 0.967 180 D HN 0.259 nan 8.370 nan 0.000 0.464 181 L N 0.582 121.913 121.223 0.180 0.000 2.046 181 L HA -0.145 4.195 4.340 0.000 0.000 0.208 181 L C 2.553 179.487 176.870 0.108 0.000 1.077 181 L CA 1.175 56.100 54.840 0.143 0.000 0.747 181 L CB -0.524 41.589 42.059 0.090 0.000 0.896 181 L HN -0.023 nan 8.230 nan 0.000 0.432 182 A N -0.440 122.441 122.820 0.100 0.000 1.902 182 A HA -0.298 4.022 4.320 0.000 0.000 0.217 182 A C 2.120 179.769 177.584 0.108 0.000 1.181 182 A CA 2.005 54.092 52.037 0.083 0.000 0.623 182 A CB -0.830 18.212 19.000 0.071 0.000 0.818 182 A HN 0.543 nan 8.150 nan 0.000 0.443 183 H N -0.027 119.065 119.070 0.036 0.000 2.267 183 H HA -0.110 4.446 4.556 0.000 0.000 0.297 183 H C 1.836 177.181 175.328 0.029 0.000 1.080 183 H CA 2.341 58.406 56.048 0.029 0.000 1.278 183 H CB -0.459 29.321 29.762 0.031 0.000 1.365 183 H HN 0.106 nan 8.280 nan 0.000 0.489 184 V N 0.724 120.595 119.914 -0.073 0.000 2.343 184 V HA -0.222 3.898 4.120 0.000 0.000 0.247 184 V C 2.735 178.787 176.094 -0.070 0.000 1.051 184 V CA 1.954 64.176 62.300 -0.130 0.000 1.036 184 V CB -0.558 31.268 31.823 0.006 0.000 0.654 184 V HN 0.450 nan 8.190 nan 0.000 0.451 185 I N 0.497 121.061 120.570 -0.010 0.000 2.286 185 I HA -0.220 3.950 4.170 0.000 0.000 0.248 185 I C 2.623 178.732 176.117 -0.014 0.000 1.115 185 I CA 1.410 62.711 61.300 0.002 0.000 1.392 185 I CB -0.552 37.461 38.000 0.022 0.000 1.065 185 I HN 0.296 nan 8.210 nan 0.000 0.418 186 A N 0.942 123.748 122.820 -0.023 0.000 1.969 186 A HA -0.122 4.198 4.320 0.000 0.000 0.218 186 A C 2.283 179.836 177.584 -0.051 0.000 1.169 186 A CA 1.248 53.272 52.037 -0.023 0.000 0.635 186 A CB -0.630 18.368 19.000 -0.002 0.000 0.810 186 A HN 0.367 nan 8.150 nan 0.000 0.445 187 I N -0.701 119.807 120.570 -0.104 0.000 2.252 187 I HA -0.213 3.957 4.170 0.000 0.000 0.245 187 I C 2.513 178.592 176.117 -0.064 0.000 1.102 187 I CA 1.758 62.987 61.300 -0.119 0.000 1.385 187 I CB -0.156 37.723 38.000 -0.201 0.000 1.064 187 I HN 0.266 nan 8.210 nan 0.000 0.414 188 K N 1.821 122.199 120.400 -0.036 0.000 2.057 188 K HA -0.211 4.110 4.320 0.000 0.000 0.206 188 K C 2.037 178.639 176.600 0.004 0.000 1.050 188 K CA 1.649 57.937 56.287 0.002 0.000 0.935 188 K CB -0.266 32.244 32.500 0.017 0.000 0.715 188 K HN 0.066 nan 8.250 nan 0.000 0.439 189 K N -0.414 119.983 120.400 -0.004 0.000 2.063 189 K HA -0.101 4.219 4.320 0.000 0.000 0.208 189 K C 1.872 178.471 176.600 -0.002 0.000 1.048 189 K CA 1.374 57.662 56.287 0.001 0.000 0.928 189 K CB -0.288 32.212 32.500 0.000 0.000 0.713 189 K HN 0.229 nan 8.250 nan 0.000 0.442 190 A N 0.814 123.627 122.820 -0.012 0.000 1.930 190 A HA -0.060 4.260 4.320 0.000 0.000 0.217 190 A C 1.999 179.577 177.584 -0.009 0.000 1.175 190 A CA 1.085 53.114 52.037 -0.014 0.000 0.627 190 A CB -0.367 18.616 19.000 -0.028 0.000 0.815 190 A HN 0.303 nan 8.150 nan 0.000 0.443 191 L N -1.489 119.730 121.223 -0.007 0.000 2.270 191 L HA 0.197 4.538 4.340 0.000 0.000 0.210 191 L C 1.838 178.726 176.870 0.030 0.000 1.104 191 L CA 0.367 55.216 54.840 0.014 0.000 0.804 191 L CB -1.074 41.003 42.059 0.030 0.000 0.937 191 L HN 0.615 nan 8.230 nan 0.000 0.450 192 G N 2.032 110.847 108.800 0.024 0.000 2.574 192 G HA2 -0.431 3.529 3.960 0.000 0.000 0.282 192 G HA3 -0.431 3.529 3.960 0.000 0.000 0.282 192 G C 0.244 175.163 174.900 0.032 0.000 1.257 192 G CA 0.567 45.682 45.100 0.024 0.000 0.956 192 G HN 0.576 nan 8.290 nan 0.000 0.560 193 D N -0.034 120.381 120.400 0.024 0.000 2.352 193 D HA 0.189 4.829 4.640 0.000 0.000 0.232 193 D C 2.114 178.424 176.300 0.018 0.000 1.055 193 D CA 1.408 55.419 54.000 0.019 0.000 0.891 193 D CB -0.174 40.631 40.800 0.009 0.000 0.897 193 D HN 0.843 nan 8.370 nan 0.000 0.529 194 S N -1.148 114.572 115.700 0.033 0.000 2.522 194 S HA 0.348 4.818 4.470 0.000 0.000 0.227 194 S C 0.844 175.475 174.600 0.051 0.000 0.986 194 S CA -0.012 58.210 58.200 0.037 0.000 0.929 194 S CB -0.069 63.165 63.200 0.057 0.000 0.769 194 S HN 0.485 nan 8.310 nan 0.000 0.529 195 A N 0.452 123.320 122.820 0.080 0.000 2.609 195 A HA 0.732 5.052 4.320 0.000 0.000 0.291 195 A C -0.682 176.960 177.584 0.097 0.000 1.096 195 A CA -0.461 51.646 52.037 0.116 0.000 0.684 195 A CB 1.110 20.322 19.000 0.355 0.000 1.282 195 A HN 0.279 nan 8.150 nan 0.000 0.412 196 S N 0.043 115.785 115.700 0.071 0.000 2.462 196 S HA 0.620 5.090 4.470 0.000 0.000 0.294 196 S C -0.864 173.819 174.600 0.139 0.000 1.144 196 S CA -0.378 57.868 58.200 0.077 0.000 1.088 196 S CB 0.550 63.774 63.200 0.039 0.000 1.009 196 S HN 1.075 nan 8.310 nan 0.000 0.484 197 V N 6.231 126.227 119.914 0.137 0.000 2.448 197 V HA 0.623 4.743 4.120 0.000 0.000 0.295 197 V C -0.178 175.976 176.094 0.101 0.000 1.025 197 V CA -0.738 61.649 62.300 0.145 0.000 0.859 197 V CB 1.518 33.408 31.823 0.112 0.000 0.988 197 V HN 0.903 nan 8.190 nan 0.000 0.431 198 R N 2.431 122.984 120.500 0.089 0.000 2.912 198 R HA 0.890 5.230 4.340 0.000 0.000 0.262 198 R C -0.867 175.441 176.300 0.013 0.000 1.057 198 R CA -0.708 55.413 56.100 0.036 0.000 0.981 198 R CB 2.302 32.607 30.300 0.008 0.000 1.201 198 R HN 0.651 nan 8.270 nan 0.000 0.484 199 V N -2.292 117.604 119.914 -0.030 0.000 3.001 199 V HA 0.697 4.818 4.120 0.000 0.000 0.314 199 V C -1.266 174.769 176.094 -0.099 0.000 1.099 199 V CA -0.738 61.534 62.300 -0.046 0.000 0.989 199 V CB 2.283 34.084 31.823 -0.037 0.000 1.040 199 V HN 0.677 nan 8.190 nan 0.000 0.434 200 D N 1.315 121.649 120.400 -0.110 0.000 2.620 200 D HA 0.509 5.149 4.640 0.000 0.000 0.252 200 D C 0.203 176.383 176.300 -0.200 0.000 1.207 200 D CA -0.288 53.632 54.000 -0.133 0.000 0.884 200 D CB 2.254 43.011 40.800 -0.073 0.000 1.262 200 D HN 0.392 nan 8.370 nan 0.000 0.552 201 V N 2.876 122.609 119.914 -0.301 0.000 3.608 201 V HA 0.047 4.167 4.120 0.000 0.000 0.269 201 V C 0.563 176.478 176.094 -0.299 0.000 1.245 201 V CA -0.016 61.998 62.300 -0.475 0.000 1.138 201 V CB -1.384 29.923 31.823 -0.861 0.000 0.841 201 V HN 0.729 nan 8.190 nan 0.000 0.451 202 N N 1.244 119.846 118.700 -0.162 0.000 2.716 202 N HA -0.304 4.437 4.740 0.000 0.000 0.250 202 N C 0.568 176.030 175.510 -0.080 0.000 1.033 202 N CA 0.882 53.892 53.050 -0.067 0.000 0.727 202 N CB -1.067 37.429 38.487 0.014 0.000 0.950 202 N HN 0.731 nan 8.380 nan 0.000 0.541 203 Q N -4.620 115.118 119.800 -0.104 0.000 2.305 203 Q HA -0.364 3.976 4.340 0.000 0.000 0.203 203 Q C 1.420 177.382 176.000 -0.063 0.000 0.663 203 Q CA 1.081 56.843 55.803 -0.067 0.000 1.389 203 Q CB -1.602 27.114 28.738 -0.037 0.000 1.566 203 Q HN 0.701 nan 8.270 nan 0.000 0.755 204 A N -0.003 122.736 122.820 -0.134 0.000 1.940 204 A HA -0.135 4.185 4.320 0.000 0.000 0.219 204 A C 0.566 178.193 177.584 0.073 0.000 1.176 204 A CA 1.080 53.063 52.037 -0.090 0.000 0.631 204 A CB -0.205 18.686 19.000 -0.181 0.000 0.814 204 A HN 0.409 nan 8.150 nan 0.000 0.446 205 W N 0.684 121.980 121.300 -0.006 0.000 2.303 205 W HA 0.450 5.110 4.660 0.000 0.000 0.334 205 W C -0.606 175.907 176.519 -0.010 0.000 1.197 205 W CA -1.395 55.945 57.345 -0.008 0.000 1.262 205 W CB -0.010 29.446 29.460 -0.007 0.000 1.153 205 W HN 0.117 nan 8.180 nan 0.000 0.596 206 D N 0.252 120.784 120.400 0.220 0.000 2.312 206 D HA -0.007 4.633 4.640 0.000 0.000 0.248 206 D C 1.199 177.551 176.300 0.088 0.000 1.086 206 D CA -0.250 53.814 54.000 0.106 0.000 0.948 206 D CB 1.038 41.868 40.800 0.050 0.000 1.162 206 D HN 0.489 nan 8.370 nan 0.000 0.446 207 E N 1.193 121.427 120.200 0.057 0.000 2.118 207 E HA -0.250 4.100 4.350 0.000 0.000 0.195 207 E C 1.593 178.190 176.600 -0.006 0.000 0.992 207 E CA 1.221 57.643 56.400 0.036 0.000 0.804 207 E CB 0.099 29.813 29.700 0.023 0.000 0.741 207 E HN 0.500 nan 8.360 nan 0.000 0.458 208 A N 0.268 123.076 122.820 -0.019 0.000 1.978 208 A HA -0.152 4.168 4.320 0.000 0.000 0.220 208 A C 2.311 179.836 177.584 -0.099 0.000 1.170 208 A CA 1.574 53.582 52.037 -0.047 0.000 0.636 208 A CB -0.377 18.600 19.000 -0.038 0.000 0.810 208 A HN 0.246 nan 8.150 nan 0.000 0.448 209 V N -0.877 118.955 119.914 -0.137 0.000 2.500 209 V HA -0.048 4.073 4.120 0.000 0.000 0.243 209 V C 2.976 178.818 176.094 -0.421 0.000 1.039 209 V CA 1.412 63.529 62.300 -0.305 0.000 1.053 209 V CB -0.908 30.670 31.823 -0.408 0.000 0.695 209 V HN 0.577 nan 8.190 nan 0.000 0.463 210 A N 1.330 124.005 122.820 -0.242 0.000 1.933 210 A HA -0.189 4.131 4.320 0.000 0.000 0.218 210 A C 2.127 179.658 177.584 -0.089 0.000 1.175 210 A CA 2.159 54.133 52.037 -0.105 0.000 0.628 210 A CB -0.645 18.480 19.000 0.209 0.000 0.814 210 A HN 0.635 nan 8.150 nan 0.000 0.444 211 L N -1.641 119.539 121.223 -0.071 0.000 2.187 211 L HA -0.041 4.300 4.340 0.000 0.000 0.213 211 L C 2.158 178.982 176.870 -0.076 0.000 1.100 211 L CA 2.493 57.303 54.840 -0.051 0.000 0.765 211 L CB -0.617 41.417 42.059 -0.040 0.000 0.904 211 L HN 0.365 nan 8.230 nan 0.000 0.437 212 R N 0.033 120.455 120.500 -0.130 0.000 2.105 212 R HA 0.195 4.536 4.340 0.000 0.000 0.214 212 R C 2.320 178.528 176.300 -0.153 0.000 1.091 212 R CA 0.891 56.914 56.100 -0.128 0.000 1.007 212 R CB -0.278 29.937 30.300 -0.142 0.000 0.912 212 R HN 0.444 nan 8.270 nan 0.000 0.450 213 A N 0.598 123.254 122.820 -0.275 0.000 1.933 213 A HA -0.168 4.152 4.320 0.000 0.000 0.218 213 A C 2.343 179.881 177.584 -0.076 0.000 1.175 213 A CA 1.541 53.397 52.037 -0.301 0.000 0.628 213 A CB -0.905 17.572 19.000 -0.872 0.000 0.814 213 A HN 0.563 nan 8.150 nan 0.000 0.444 214 C N -0.951 118.340 119.300 -0.015 0.000 2.425 214 C HA -0.061 4.399 4.460 0.000 0.000 0.277 214 C C 2.848 177.853 174.990 0.026 0.000 1.280 214 C CA 0.989 60.047 59.018 0.066 0.000 1.744 214 C CB -1.312 26.471 27.740 0.072 0.000 1.989 214 C HN 0.592 nan 8.230 nan 0.000 0.491 215 R N 0.564 121.061 120.500 -0.006 0.000 2.092 215 R HA -0.032 4.308 4.340 0.000 0.000 0.231 215 R C 1.991 178.291 176.300 -0.001 0.000 1.119 215 R CA 1.274 57.371 56.100 -0.006 0.000 0.970 215 R CB -0.327 29.962 30.300 -0.019 0.000 0.864 215 R HN 0.545 nan 8.270 nan 0.000 0.440 216 I N 0.856 121.420 120.570 -0.010 0.000 2.202 216 I HA -0.274 3.897 4.170 0.000 0.000 0.242 216 I C 2.249 178.379 176.117 0.022 0.000 1.091 216 I CA 1.275 62.574 61.300 -0.002 0.000 1.368 216 I CB -0.269 37.721 38.000 -0.016 0.000 1.058 216 I HN 0.126 nan 8.210 nan 0.000 0.410 217 L N 0.450 121.699 121.223 0.043 0.000 2.046 217 L HA -0.125 4.215 4.340 0.000 0.000 0.208 217 L C 2.695 179.592 176.870 0.046 0.000 1.077 217 L CA 1.598 56.474 54.840 0.061 0.000 0.747 217 L CB -1.165 40.955 42.059 0.101 0.000 0.896 217 L HN 0.320 nan 8.230 nan 0.000 0.432 218 G N -0.423 108.400 108.800 0.039 0.000 2.432 218 G HA2 -0.177 3.783 3.960 0.000 0.000 0.219 218 G HA3 -0.177 3.783 3.960 0.000 0.000 0.219 218 G C 1.481 176.398 174.900 0.028 0.000 1.135 218 G CA 0.684 45.804 45.100 0.032 0.000 0.767 218 G HN 0.501 nan 8.290 nan 0.000 0.550 219 G N -0.475 108.338 108.800 0.022 0.000 2.920 219 G HA2 0.018 3.978 3.960 0.000 0.000 0.208 219 G HA3 0.018 3.978 3.960 0.000 0.000 0.208 219 G C 0.963 175.875 174.900 0.020 0.000 1.159 219 G CA -0.088 45.022 45.100 0.018 0.000 0.784 219 G HN 0.386 nan 8.290 nan 0.000 0.535 220 N N 0.268 118.982 118.700 0.025 0.000 2.416 220 N HA 0.178 4.918 4.740 0.000 0.000 0.267 220 N C 1.252 176.780 175.510 0.029 0.000 1.294 220 N CA 0.532 53.597 53.050 0.025 0.000 0.891 220 N CB 1.075 39.576 38.487 0.024 0.000 1.238 220 N HN 0.279 nan 8.380 nan 0.000 0.508 221 G N 0.886 109.706 108.800 0.034 0.000 2.143 221 G HA2 -0.231 3.729 3.960 0.000 0.000 0.249 221 G HA3 -0.231 3.729 3.960 0.000 0.000 0.249 221 G C 0.002 174.932 174.900 0.050 0.000 0.981 221 G CA -0.281 44.843 45.100 0.040 0.000 0.665 221 G HN 0.247 nan 8.290 nan 0.000 0.528 222 I N 1.643 122.244 120.570 0.051 0.000 2.352 222 I HA 0.260 4.431 4.170 0.000 0.000 0.290 222 I C 0.755 176.911 176.117 0.065 0.000 1.036 222 I CA -0.776 60.558 61.300 0.056 0.000 1.336 222 I CB 1.162 39.192 38.000 0.051 0.000 1.407 222 I HN -0.048 nan 8.210 nan 0.000 0.497 223 D N 4.776 125.230 120.400 0.091 0.000 2.289 223 D HA 0.072 4.712 4.640 0.000 0.000 0.207 223 D C 0.338 176.692 176.300 0.090 0.000 0.966 223 D CA 0.986 55.078 54.000 0.152 0.000 0.868 223 D CB 0.588 41.536 40.800 0.248 0.000 0.943 223 D HN 0.272 nan 8.370 nan 0.000 0.514 224 L N 0.117 121.326 121.223 -0.023 0.000 2.545 224 L HA 0.384 4.724 4.340 0.000 0.000 0.258 224 L C -1.853 174.925 176.870 -0.153 0.000 0.942 224 L CA -0.492 54.225 54.840 -0.206 0.000 0.855 224 L CB 2.297 44.141 42.059 -0.357 0.000 1.374 224 L HN -0.243 nan 8.230 nan 0.000 0.411 225 I N 3.491 123.960 120.570 -0.169 0.000 2.390 225 I HA 0.377 4.547 4.170 0.000 0.000 0.283 225 I C -0.321 175.704 176.117 -0.154 0.000 1.016 225 I CA -0.447 60.786 61.300 -0.112 0.000 1.151 225 I CB 1.635 39.619 38.000 -0.027 0.000 1.293 225 I HN 0.613 nan 8.210 nan 0.000 0.458 226 E N 5.928 126.024 120.200 -0.172 0.000 2.229 226 E HA 0.088 4.438 4.350 0.000 0.000 0.283 226 E C -0.061 176.456 176.600 -0.138 0.000 1.030 226 E CA -0.575 55.722 56.400 -0.171 0.000 0.836 226 E CB 0.710 30.301 29.700 -0.181 0.000 1.068 226 E HN 0.454 nan 8.360 nan 0.000 0.401 227 Q N 4.051 123.788 119.800 -0.105 0.000 2.417 227 Q HA -0.175 4.166 4.340 0.000 0.000 0.368 227 Q C -1.937 174.003 176.000 -0.100 0.000 1.359 227 Q CA 0.655 56.410 55.803 -0.080 0.000 1.122 227 Q CB -0.207 28.491 28.738 -0.067 0.000 1.295 227 Q HN 0.514 nan 8.270 nan 0.000 0.337 228 P HA -0.114 nan 4.420 nan 0.000 0.218 228 P C 0.692 178.008 177.300 0.027 0.000 1.149 228 P CA 1.747 64.819 63.100 -0.047 0.000 0.817 228 P CB -0.092 31.694 31.700 0.145 0.000 0.785 229 I N -4.967 115.630 120.570 0.044 0.000 3.294 229 I HA 0.552 4.722 4.170 0.000 0.000 0.311 229 I C 0.013 176.140 176.117 0.016 0.000 1.111 229 I CA -1.523 59.814 61.300 0.061 0.000 0.976 229 I CB 1.830 39.883 38.000 0.088 0.000 1.260 229 I HN -0.326 nan 8.210 nan 0.000 0.474 230 S N 0.917 116.629 115.700 0.020 0.000 2.558 230 S HA 0.083 4.553 4.470 0.000 0.000 0.288 230 S C 1.349 175.947 174.600 -0.003 0.000 1.318 230 S CA -0.036 58.166 58.200 0.003 0.000 1.056 230 S CB 0.482 63.686 63.200 0.005 0.000 0.853 230 S HN 0.838 nan 8.310 nan 0.000 0.505 231 R N 3.715 124.208 120.500 -0.012 0.000 2.241 231 R HA -0.091 4.249 4.340 0.000 0.000 0.224 231 R C 1.226 177.518 176.300 -0.014 0.000 1.101 231 R CA 2.012 58.101 56.100 -0.018 0.000 0.995 231 R CB -0.739 29.548 30.300 -0.023 0.000 0.870 231 R HN 0.700 nan 8.270 nan 0.000 0.463 232 N N 0.670 119.364 118.700 -0.008 0.000 2.409 232 N HA -0.091 4.649 4.740 0.000 0.000 0.179 232 N C 0.212 175.721 175.510 -0.003 0.000 1.032 232 N CA 0.340 53.386 53.050 -0.006 0.000 0.898 232 N CB 0.007 38.490 38.487 -0.005 0.000 0.971 232 N HN 0.134 nan 8.380 nan 0.000 0.441 233 N N 1.551 120.252 118.700 0.001 0.000 3.188 233 N HA 0.114 4.854 4.740 0.000 0.000 0.279 233 N C 0.389 175.899 175.510 0.001 0.000 1.213 233 N CA -0.069 52.983 53.050 0.004 0.000 1.138 233 N CB 0.086 38.581 38.487 0.013 0.000 1.417 233 N HN 0.161 nan 8.380 nan 0.000 0.526 234 R N 0.786 121.284 120.500 -0.003 0.000 2.073 234 R HA -0.103 4.237 4.340 0.000 0.000 0.234 234 R C 1.783 178.081 176.300 -0.005 0.000 1.134 234 R CA 1.763 57.859 56.100 -0.007 0.000 0.952 234 R CB -0.276 30.018 30.300 -0.010 0.000 0.850 234 R HN 0.401 nan 8.270 nan 0.000 0.433 235 A N 0.968 123.786 122.820 -0.003 0.000 1.969 235 A HA -0.055 4.266 4.320 0.000 0.000 0.218 235 A C 2.410 179.995 177.584 0.001 0.000 1.169 235 A CA 1.630 53.666 52.037 -0.002 0.000 0.635 235 A CB -1.002 17.997 19.000 -0.002 0.000 0.810 235 A HN 0.477 nan 8.150 nan 0.000 0.445 236 G N -0.966 107.837 108.800 0.004 0.000 2.402 236 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 236 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 236 G C 1.528 176.435 174.900 0.012 0.000 1.162 236 G CA 1.120 46.225 45.100 0.009 0.000 0.777 236 G HN 0.335 nan 8.290 nan 0.000 0.539 237 M N 0.436 120.041 119.600 0.010 0.000 2.159 237 M HA -0.040 4.440 4.480 0.000 0.000 0.263 237 M C 2.760 179.063 176.300 0.006 0.000 1.063 237 M CA 0.832 56.138 55.300 0.010 0.000 1.110 237 M CB -0.787 31.816 32.600 0.005 0.000 1.374 237 M HN 0.134 nan 8.290 nan 0.000 0.411 238 V N 0.037 119.952 119.914 0.002 0.000 2.295 238 V HA -0.263 3.857 4.120 0.000 0.000 0.246 238 V C 2.425 178.518 176.094 -0.001 0.000 1.049 238 V CA 1.658 63.957 62.300 -0.002 0.000 1.024 238 V CB -0.705 31.114 31.823 -0.006 0.000 0.648 238 V HN 0.447 nan 8.190 nan 0.000 0.447 239 R N -0.359 120.141 120.500 0.000 0.000 2.096 239 R HA -0.083 4.257 4.340 0.000 0.000 0.235 239 R C 2.277 178.577 176.300 0.001 0.000 1.127 239 R CA 1.317 57.416 56.100 -0.000 0.000 0.968 239 R CB -0.414 29.886 30.300 0.000 0.000 0.861 239 R HN 0.423 nan 8.270 nan 0.000 0.440 240 L N 0.722 121.949 121.223 0.007 0.000 2.201 240 L HA -0.152 4.189 4.340 0.000 0.000 0.212 240 L C 2.017 178.889 176.870 0.004 0.000 1.105 240 L CA 0.924 55.771 54.840 0.011 0.000 0.775 240 L CB -0.450 41.624 42.059 0.026 0.000 0.913 240 L HN 0.290 nan 8.230 nan 0.000 0.440 241 N N 0.068 118.767 118.700 -0.001 0.000 2.223 241 N HA -0.148 4.592 4.740 0.000 0.000 0.185 241 N C 1.798 177.303 175.510 -0.008 0.000 1.016 241 N CA 1.358 54.403 53.050 -0.009 0.000 0.863 241 N CB 0.130 38.611 38.487 -0.011 0.000 0.983 241 N HN 0.334 nan 8.380 nan 0.000 0.429 242 A N 0.633 123.449 122.820 -0.005 0.000 1.935 242 A HA -0.048 4.272 4.320 0.000 0.000 0.214 242 A C 2.326 179.908 177.584 -0.004 0.000 1.178 242 A CA 1.429 53.463 52.037 -0.005 0.000 0.640 242 A CB -0.327 18.670 19.000 -0.005 0.000 0.825 242 A HN 0.399 nan 8.150 nan 0.000 0.447 243 S N -1.056 114.642 115.700 -0.003 0.000 2.458 243 S HA 0.091 4.562 4.470 0.000 0.000 0.223 243 S C 1.081 175.681 174.600 -0.002 0.000 1.019 243 S CA 0.629 58.827 58.200 -0.004 0.000 0.937 243 S CB -0.498 62.698 63.200 -0.006 0.000 0.788 243 S HN 0.351 nan 8.310 nan 0.000 0.511 244 S N 3.515 119.216 115.700 0.001 0.000 2.505 244 S HA 0.344 4.814 4.470 0.000 0.000 0.276 244 S C -1.349 173.253 174.600 0.003 0.000 1.274 244 S CA -1.407 56.796 58.200 0.004 0.000 1.053 244 S CB 1.038 64.243 63.200 0.008 0.000 0.919 244 S HN 0.311 nan 8.310 nan 0.000 0.490 245 P HA 0.197 nan 4.420 nan 0.000 0.241 245 P C -0.149 177.160 177.300 0.015 0.000 1.191 245 P CA 0.155 63.261 63.100 0.011 0.000 0.771 245 P CB 0.099 31.807 31.700 0.012 0.000 0.929 246 A N 1.725 124.550 122.820 0.008 0.000 2.337 246 A HA 0.653 4.973 4.320 0.000 0.000 0.329 246 A C -2.598 174.962 177.584 -0.041 0.000 1.146 246 A CA -2.183 49.854 52.037 -0.000 0.000 0.800 246 A CB 0.682 19.685 19.000 0.005 0.000 1.220 246 A HN -0.080 nan 8.150 nan 0.000 0.472 247 P HA 0.193 nan 4.420 nan 0.000 0.268 247 P C -0.733 176.437 177.300 -0.217 0.000 1.205 247 P CA 0.151 63.149 63.100 -0.171 0.000 0.771 247 P CB 0.642 32.172 31.700 -0.283 0.000 0.858 248 I N 3.666 124.133 120.570 -0.171 0.000 2.359 248 I HA 0.396 4.566 4.170 0.000 0.000 0.294 248 I C 0.653 176.664 176.117 -0.177 0.000 0.987 248 I CA -0.764 60.450 61.300 -0.144 0.000 1.225 248 I CB 1.055 39.016 38.000 -0.065 0.000 1.366 248 I HN 0.429 nan 8.210 nan 0.000 0.466 249 M N 5.383 124.865 119.600 -0.196 0.000 2.364 249 M HA 0.683 5.164 4.480 0.000 0.000 0.334 249 M C -0.622 175.635 176.300 -0.072 0.000 1.107 249 M CA -0.478 54.721 55.300 -0.169 0.000 0.988 249 M CB 1.737 34.155 32.600 -0.302 0.000 1.673 249 M HN 0.685 nan 8.290 nan 0.000 0.441 250 A N 3.333 126.165 122.820 0.021 0.000 2.301 250 A HA 0.431 4.752 4.320 0.000 0.000 0.298 250 A C -0.486 177.063 177.584 -0.058 0.000 1.185 250 A CA -0.415 51.602 52.037 -0.033 0.000 0.830 250 A CB 0.617 19.564 19.000 -0.089 0.000 1.112 250 A HN 0.971 nan 8.150 nan 0.000 0.508 251 D N 0.898 121.262 120.400 -0.060 0.000 3.106 251 D HA 0.033 4.673 4.640 0.000 0.000 0.216 251 D C 1.237 177.516 176.300 -0.034 0.000 1.540 251 D CA 0.392 54.373 54.000 -0.031 0.000 1.389 251 D CB -0.169 40.628 40.800 -0.004 0.000 1.080 251 D HN 0.367 nan 8.370 nan 0.000 0.270 252 E N 0.303 120.495 120.200 -0.014 0.000 2.209 252 E HA -0.033 4.317 4.350 0.000 0.000 0.196 252 E C 1.978 178.560 176.600 -0.028 0.000 0.993 252 E CA 0.864 57.264 56.400 0.001 0.000 0.819 252 E CB -0.235 29.472 29.700 0.012 0.000 0.745 252 E HN 0.098 nan 8.360 nan 0.000 0.477 253 S N -0.156 115.507 115.700 -0.061 0.000 2.442 253 S HA -0.021 4.450 4.470 0.000 0.000 0.236 253 S C 0.718 175.248 174.600 -0.118 0.000 1.007 253 S CA 0.477 58.626 58.200 -0.084 0.000 0.965 253 S CB -0.087 63.052 63.200 -0.101 0.000 0.773 253 S HN 0.188 nan 8.310 nan 0.000 0.504 254 I N 1.722 122.209 120.570 -0.138 0.000 2.306 254 I HA 0.199 4.370 4.170 0.000 0.000 0.288 254 I C 0.509 176.588 176.117 -0.063 0.000 1.036 254 I CA 0.045 61.255 61.300 -0.151 0.000 1.221 254 I CB 1.037 38.899 38.000 -0.229 0.000 1.385 254 I HN 0.113 nan 8.210 nan 0.000 0.472 255 E N 4.868 125.047 120.200 -0.036 0.000 2.630 255 E HA 0.194 4.545 4.350 0.000 0.000 0.218 255 E C -0.497 176.109 176.600 0.010 0.000 0.977 255 E CA -0.091 56.314 56.400 0.009 0.000 1.038 255 E CB 0.866 30.581 29.700 0.025 0.000 1.051 255 E HN 0.784 nan 8.360 nan 0.000 0.487 256 C N -3.852 115.443 119.300 -0.008 0.000 3.253 256 C HA 0.230 4.690 4.460 0.000 0.000 0.342 256 C C 1.567 176.559 174.990 0.003 0.000 1.306 256 C CA -0.949 58.071 59.018 0.004 0.000 1.207 256 C CB 0.372 28.121 27.740 0.014 0.000 1.479 256 C HN -0.041 nan 8.230 nan 0.000 0.469 257 V N 1.188 121.115 119.914 0.021 0.000 2.332 257 V HA -0.180 3.941 4.120 0.000 0.000 0.248 257 V C 2.506 178.643 176.094 0.072 0.000 1.055 257 V CA 2.817 65.143 62.300 0.044 0.000 1.038 257 V CB -0.808 31.043 31.823 0.046 0.000 0.651 257 V HN 0.997 nan 8.190 nan 0.000 0.450 258 E N 0.053 120.294 120.200 0.068 0.000 2.153 258 E HA -0.202 4.149 4.350 0.000 0.000 0.194 258 E C 1.922 178.595 176.600 0.122 0.000 0.988 258 E CA 1.304 57.772 56.400 0.112 0.000 0.811 258 E CB -0.327 29.421 29.700 0.079 0.000 0.746 258 E HN 0.575 nan 8.360 nan 0.000 0.466 259 D N 0.073 120.498 120.400 0.041 0.000 2.144 259 D HA -0.128 4.512 4.640 0.000 0.000 0.199 259 D C 1.849 178.115 176.300 -0.056 0.000 0.984 259 D CA 1.353 55.344 54.000 -0.015 0.000 0.834 259 D CB -0.315 40.448 40.800 -0.062 0.000 0.955 259 D HN 0.219 nan 8.370 nan 0.000 0.465 260 A N 0.532 123.321 122.820 -0.052 0.000 1.883 260 A HA -0.199 4.122 4.320 0.000 0.000 0.217 260 A C 2.126 179.814 177.584 0.173 0.000 1.186 260 A CA 1.233 53.233 52.037 -0.062 0.000 0.624 260 A CB -1.034 18.007 19.000 0.069 0.000 0.822 260 A HN 0.281 nan 8.150 nan 0.000 0.444 261 F N 1.386 121.390 119.950 0.090 0.000 2.102 261 F HA -0.195 4.332 4.527 0.001 0.000 0.298 261 F C 1.865 177.719 175.800 0.089 0.000 1.105 261 F CA 2.152 60.213 58.000 0.102 0.000 1.239 261 F CB -0.759 38.278 39.000 0.062 0.000 0.991 261 F HN 0.318 nan 8.300 nan 0.000 0.474 262 N N 0.353 118.956 118.700 -0.161 0.000 2.166 262 N HA -0.179 4.562 4.740 0.000 0.000 0.186 262 N C 1.931 177.321 175.510 -0.199 0.000 1.019 262 N CA 1.611 54.514 53.050 -0.245 0.000 0.856 262 N CB -0.279 38.191 38.487 -0.028 0.000 0.993 262 N HN 0.318 nan 8.380 nan 0.000 0.426 263 L N 0.331 121.502 121.223 -0.087 0.000 2.046 263 L HA -0.120 4.220 4.340 0.000 0.000 0.208 263 L C 2.491 179.409 176.870 0.080 0.000 1.077 263 L CA 0.950 55.792 54.840 0.004 0.000 0.747 263 L CB -0.539 41.507 42.059 -0.022 0.000 0.896 263 L HN 0.237 nan 8.230 nan 0.000 0.432 264 A N 0.091 122.980 122.820 0.116 0.000 1.898 264 A HA -0.232 4.088 4.320 0.000 0.000 0.216 264 A C 2.437 179.933 177.584 -0.148 0.000 1.181 264 A CA 1.654 53.702 52.037 0.018 0.000 0.620 264 A CB -0.558 18.458 19.000 0.026 0.000 0.819 264 A HN 0.348 nan 8.150 nan 0.000 0.442 265 R N 0.039 120.322 120.500 -0.361 0.000 2.073 265 R HA -0.175 4.165 4.340 0.000 0.000 0.234 265 R C 1.893 178.093 176.300 -0.167 0.000 1.134 265 R CA 1.950 57.840 56.100 -0.351 0.000 0.952 265 R CB -0.283 29.658 30.300 -0.599 0.000 0.850 265 R HN 0.672 nan 8.270 nan 0.000 0.433 266 E N -1.204 118.915 120.200 -0.136 0.000 2.216 266 E HA 0.020 4.370 4.350 0.000 0.000 0.192 266 E C 0.666 177.241 176.600 -0.042 0.000 0.988 266 E CA 0.603 56.961 56.400 -0.070 0.000 0.834 266 E CB 0.216 29.884 29.700 -0.053 0.000 0.772 266 E HN 0.641 nan 8.360 nan 0.000 0.479 267 G N 0.756 109.536 108.800 -0.033 0.000 2.255 267 G HA2 -0.239 3.722 3.960 0.000 0.000 0.239 267 G HA3 -0.239 3.722 3.960 0.000 0.000 0.239 267 G C 0.625 175.527 174.900 0.003 0.000 1.083 267 G CA 0.181 45.270 45.100 -0.018 0.000 0.826 267 G HN 0.377 nan 8.290 nan 0.000 0.493 268 A N -1.270 121.568 122.820 0.030 0.000 2.169 268 A HA 0.793 5.113 4.320 0.000 0.000 0.212 268 A C 1.389 179.007 177.584 0.057 0.000 1.153 268 A CA 1.808 53.867 52.037 0.036 0.000 0.756 268 A CB 0.155 19.171 19.000 0.027 0.000 0.813 268 A HN 2.421 nan 8.150 nan 0.000 0.471 269 A N -1.394 121.483 122.820 0.095 0.000 2.594 269 A HA 0.537 4.858 4.320 0.000 0.000 0.296 269 A C 0.437 178.018 177.584 -0.005 0.000 1.056 269 A CA 0.316 52.399 52.037 0.076 0.000 0.693 269 A CB -0.001 19.110 19.000 0.185 0.000 1.278 269 A HN 0.783 nan 8.150 nan 0.000 0.408 270 S N -0.412 115.239 115.700 -0.083 0.000 2.556 270 S HA 0.441 4.911 4.470 0.000 0.000 0.216 270 S C 0.167 174.647 174.600 -0.201 0.000 0.970 270 S CA 0.475 58.592 58.200 -0.139 0.000 0.912 270 S CB -0.149 62.992 63.200 -0.098 0.000 0.790 270 S HN 1.209 nan 8.310 nan 0.000 0.504 271 V N 2.019 121.813 119.914 -0.200 0.000 2.808 271 V HA 0.568 4.688 4.120 0.000 0.000 0.308 271 V C -1.519 174.627 176.094 0.088 0.000 1.099 271 V CA -0.860 61.318 62.300 -0.204 0.000 0.920 271 V CB 1.834 33.351 31.823 -0.510 0.000 1.014 271 V HN 0.261 nan 8.190 nan 0.000 0.425 272 F N 2.167 122.084 119.950 -0.056 0.000 2.482 272 F HA 0.809 5.336 4.527 0.000 0.000 0.331 272 F C 0.559 176.379 175.800 0.033 0.000 1.115 272 F CA -1.542 56.447 58.000 -0.019 0.000 0.955 272 F CB 1.865 40.871 39.000 0.010 0.000 1.136 272 F HN 0.600 nan 8.300 nan 0.000 0.452 273 A N 4.632 127.582 122.820 0.218 0.000 2.363 273 A HA 0.678 4.998 4.320 0.000 0.000 0.270 273 A C -0.694 176.982 177.584 0.153 0.000 1.121 273 A CA -0.446 51.736 52.037 0.241 0.000 0.800 273 A CB 0.234 19.361 19.000 0.211 0.000 1.052 273 A HN 0.734 nan 8.150 nan 0.000 0.493 274 L N 2.863 124.153 121.223 0.112 0.000 2.294 274 L HA 0.406 4.746 4.340 0.000 0.000 0.283 274 L C -0.171 176.808 176.870 0.180 0.000 1.015 274 L CA -0.143 54.775 54.840 0.129 0.000 0.831 274 L CB 1.199 43.337 42.059 0.131 0.000 1.217 274 L HN 0.679 nan 8.230 nan 0.000 0.420 275 K N 4.058 124.520 120.400 0.102 0.000 2.463 275 K HA 0.334 4.654 4.320 0.000 0.000 0.255 275 K C 1.078 177.653 176.600 -0.042 0.000 0.942 275 K CA -0.523 55.785 56.287 0.035 0.000 0.814 275 K CB 2.609 35.087 32.500 -0.037 0.000 1.122 275 K HN 0.587 nan 8.250 nan 0.000 0.425 276 I N -0.250 120.277 120.570 -0.072 0.000 2.361 276 I HA -0.213 3.957 4.170 0.000 0.000 0.251 276 I C 1.871 177.857 176.117 -0.218 0.000 1.133 276 I CA 1.453 62.678 61.300 -0.124 0.000 1.413 276 I CB -0.234 37.677 38.000 -0.148 0.000 1.073 276 I HN 0.542 nan 8.210 nan 0.000 0.424 277 A N 1.788 124.386 122.820 -0.369 0.000 1.933 277 A HA -0.116 4.204 4.320 0.000 0.000 0.218 277 A C 2.296 179.447 177.584 -0.721 0.000 1.175 277 A CA 1.401 52.983 52.037 -0.758 0.000 0.628 277 A CB -0.385 17.816 19.000 -1.332 0.000 0.814 277 A HN 0.379 nan 8.150 nan 0.000 0.444 278 K N 0.020 120.175 120.400 -0.408 0.000 2.296 278 K HA 0.040 4.361 4.320 0.000 0.000 0.200 278 K C 0.969 177.525 176.600 -0.073 0.000 1.048 278 K CA 0.718 56.910 56.287 -0.158 0.000 0.966 278 K CB -0.239 32.220 32.500 -0.068 0.000 0.754 278 K HN 0.511 nan 8.250 nan 0.000 0.466 279 N N -0.203 118.447 118.700 -0.082 0.000 2.388 279 N HA -0.009 4.732 4.740 0.000 0.000 0.176 279 N C 0.704 176.196 175.510 -0.030 0.000 1.062 279 N CA 0.937 53.966 53.050 -0.034 0.000 0.895 279 N CB 1.081 39.560 38.487 -0.012 0.000 1.018 279 N HN 0.311 nan 8.380 nan 0.000 0.456 280 G N 0.345 109.109 108.800 -0.060 0.000 2.151 280 G HA2 0.085 4.046 3.960 0.000 0.000 0.156 280 G HA3 0.085 4.046 3.960 0.000 0.000 0.156 280 G C 0.240 175.115 174.900 -0.042 0.000 1.017 280 G CA 0.042 45.119 45.100 -0.038 0.000 0.686 280 G HN 0.679 nan 8.290 nan 0.000 0.503 281 G N -1.664 107.096 108.800 -0.066 0.000 2.392 281 G HA2 0.383 4.343 3.960 0.000 0.000 0.677 281 G HA3 0.383 4.343 3.960 0.000 0.000 0.677 281 G C -1.364 173.501 174.900 -0.059 0.000 1.334 281 G CA 0.135 45.197 45.100 -0.063 0.000 0.961 281 G HN 0.307 nan 8.290 nan 0.000 0.616 282 P HA -0.088 nan 4.420 nan 0.000 0.215 282 P C 2.034 179.319 177.300 -0.025 0.000 1.153 282 P CA 1.595 64.651 63.100 -0.072 0.000 0.853 282 P CB 0.021 31.668 31.700 -0.088 0.000 0.788 283 R N -0.509 119.980 120.500 -0.018 0.000 2.073 283 R HA -0.051 4.289 4.340 0.000 0.000 0.234 283 R C 2.343 178.651 176.300 0.013 0.000 1.134 283 R CA 1.599 57.700 56.100 0.001 0.000 0.952 283 R CB -1.180 29.118 30.300 -0.003 0.000 0.850 283 R HN 0.139 nan 8.270 nan 0.000 0.433 284 A N 0.469 123.293 122.820 0.007 0.000 1.933 284 A HA -0.138 4.182 4.320 0.000 0.000 0.218 284 A C 2.136 179.740 177.584 0.033 0.000 1.175 284 A CA 1.846 53.893 52.037 0.016 0.000 0.628 284 A CB -0.752 18.251 19.000 0.004 0.000 0.814 284 A HN 0.282 nan 8.150 nan 0.000 0.444 285 T N 0.458 115.032 114.554 0.033 0.000 2.788 285 T HA -0.056 4.294 4.350 0.000 0.000 0.268 285 T C 1.691 176.455 174.700 0.106 0.000 1.044 285 T CA 1.331 63.474 62.100 0.073 0.000 1.139 285 T CB -0.323 68.593 68.868 0.080 0.000 0.867 285 T HN 0.379 nan 8.240 nan 0.000 0.454 286 L N 0.205 121.479 121.223 0.085 0.000 2.217 286 L HA 0.023 4.363 4.340 0.000 0.000 0.211 286 L C 2.825 179.745 176.870 0.083 0.000 1.107 286 L CA 0.963 55.859 54.840 0.093 0.000 0.783 286 L CB -0.359 41.742 42.059 0.070 0.000 0.919 286 L HN 0.161 nan 8.230 nan 0.000 0.442 287 R N -0.824 119.718 120.500 0.070 0.000 2.090 287 R HA -0.075 4.265 4.340 0.000 0.000 0.228 287 R C 2.252 178.610 176.300 0.098 0.000 1.110 287 R CA 1.557 57.699 56.100 0.069 0.000 0.973 287 R CB -0.480 29.850 30.300 0.051 0.000 0.869 287 R HN 0.242 nan 8.270 nan 0.000 0.440 288 T N 1.121 115.739 114.554 0.108 0.000 2.746 288 T HA -0.137 4.213 4.350 0.000 0.000 0.267 288 T C 1.905 176.719 174.700 0.190 0.000 1.039 288 T CA 1.483 63.672 62.100 0.148 0.000 1.142 288 T CB -0.172 68.769 68.868 0.122 0.000 0.866 288 T HN 0.367 nan 8.240 nan 0.000 0.444 289 A N 1.287 124.202 122.820 0.159 0.000 1.933 289 A HA 0.154 4.474 4.320 0.000 0.000 0.218 289 A C 2.620 180.271 177.584 0.113 0.000 1.175 289 A CA 1.813 53.937 52.037 0.145 0.000 0.628 289 A CB -1.023 18.056 19.000 0.132 0.000 0.814 289 A HN 0.506 nan 8.150 nan 0.000 0.444 290 A N -0.092 122.789 122.820 0.102 0.000 1.933 290 A HA -0.074 4.246 4.320 0.000 0.000 0.218 290 A C 2.109 179.748 177.584 0.091 0.000 1.175 290 A CA 1.519 53.605 52.037 0.081 0.000 0.628 290 A CB -0.569 18.473 19.000 0.069 0.000 0.814 290 A HN 0.505 nan 8.150 nan 0.000 0.444 291 I N -0.385 120.262 120.570 0.129 0.000 2.202 291 I HA -0.250 3.921 4.170 0.000 0.000 0.242 291 I C 2.991 179.186 176.117 0.129 0.000 1.091 291 I CA 0.985 62.384 61.300 0.166 0.000 1.368 291 I CB -0.363 37.784 38.000 0.244 0.000 1.058 291 I HN 0.351 nan 8.210 nan 0.000 0.410 292 A N 0.708 123.601 122.820 0.122 0.000 1.883 292 A HA -0.246 4.074 4.320 0.000 0.000 0.217 292 A C 2.195 179.736 177.584 -0.072 0.000 1.186 292 A CA 1.884 53.882 52.037 -0.065 0.000 0.624 292 A CB -0.679 18.281 19.000 -0.067 0.000 0.822 292 A HN 0.462 nan 8.150 nan 0.000 0.444 293 E N -0.225 119.973 120.200 -0.002 0.000 2.085 293 E HA -0.128 4.222 4.350 0.000 0.000 0.194 293 E C 2.222 178.824 176.600 0.003 0.000 0.994 293 E CA 1.023 57.423 56.400 -0.000 0.000 0.801 293 E CB -0.327 29.387 29.700 0.023 0.000 0.743 293 E HN 0.621 nan 8.360 nan 0.000 0.453 294 A N 1.104 123.939 122.820 0.024 0.000 2.070 294 A HA -0.008 4.312 4.320 0.000 0.000 0.220 294 A C 2.202 179.799 177.584 0.021 0.000 1.159 294 A CA 1.439 53.495 52.037 0.032 0.000 0.656 294 A CB -0.268 18.767 19.000 0.057 0.000 0.800 294 A HN 0.266 nan 8.150 nan 0.000 0.453 295 A N -2.017 120.802 122.820 -0.002 0.000 2.308 295 A HA 0.445 4.765 4.320 0.000 0.000 0.217 295 A C 1.662 179.210 177.584 -0.061 0.000 1.216 295 A CA 1.044 53.063 52.037 -0.029 0.000 0.864 295 A CB -0.684 18.283 19.000 -0.054 0.000 0.902 295 A HN 1.803 nan 8.150 nan 0.000 0.499 296 G N -0.500 108.266 108.800 -0.056 0.000 2.147 296 G HA2 -0.219 3.741 3.960 0.000 0.000 0.244 296 G HA3 -0.219 3.741 3.960 0.000 0.000 0.244 296 G C 0.039 174.887 174.900 -0.087 0.000 1.005 296 G CA 0.348 45.417 45.100 -0.052 0.000 0.713 296 G HN 0.464 nan 8.290 nan 0.000 0.515 297 I N 1.357 121.827 120.570 -0.167 0.000 2.396 297 I HA 0.493 4.663 4.170 0.000 0.000 0.292 297 I C 1.427 177.448 176.117 -0.161 0.000 0.999 297 I CA -0.256 60.881 61.300 -0.273 0.000 1.310 297 I CB 1.318 38.917 38.000 -0.668 0.000 1.404 297 I HN 0.147 nan 8.210 nan 0.000 0.496 298 G N 6.438 115.207 108.800 -0.051 0.000 2.594 298 G HA2 0.466 4.427 3.960 0.000 0.000 0.243 298 G HA3 0.466 4.427 3.960 0.000 0.000 0.243 298 G C -0.508 174.467 174.900 0.126 0.000 1.229 298 G CA -0.480 44.704 45.100 0.141 0.000 0.843 298 G HN 0.459 nan 8.290 nan 0.000 0.578 299 L N 0.127 121.477 121.223 0.210 0.000 2.342 299 L HA 0.536 4.876 4.340 0.000 0.000 0.271 299 L C -1.010 176.012 176.870 0.253 0.000 1.008 299 L CA -1.078 53.862 54.840 0.166 0.000 0.818 299 L CB 2.222 44.320 42.059 0.065 0.000 1.296 299 L HN 0.570 nan 8.230 nan 0.000 0.427 300 Y N 0.264 120.561 120.300 -0.005 0.000 2.433 300 Y HA 0.593 5.143 4.550 0.000 0.000 0.337 300 Y C 0.078 175.822 175.900 -0.261 0.000 1.026 300 Y CA -0.936 57.134 58.100 -0.050 0.000 1.037 300 Y CB 2.170 40.645 38.460 0.024 0.000 1.245 300 Y HN 0.535 nan 8.280 nan 0.000 0.443 301 G N 3.526 111.817 108.800 -0.848 0.000 2.448 301 G HA2 0.457 4.418 3.960 0.000 0.000 0.309 301 G HA3 0.457 4.418 3.960 0.000 0.000 0.309 301 G C 0.113 174.598 174.900 -0.692 0.000 1.027 301 G CA 0.070 44.489 45.100 -1.136 0.000 1.104 301 G HN 0.967 nan 8.290 nan 0.000 0.428 302 G N 0.321 108.955 108.800 -0.276 0.000 2.522 302 G HA2 0.616 4.577 3.960 0.000 0.000 0.304 302 G HA3 0.616 4.577 3.960 0.000 0.000 0.304 302 G C -0.466 174.415 174.900 -0.031 0.000 1.210 302 G CA -0.282 44.744 45.100 -0.124 0.000 0.960 302 G HN 0.710 nan 8.290 nan 0.000 0.497 303 T N -0.796 113.705 114.554 -0.088 0.000 2.883 303 T HA 0.456 4.807 4.350 0.000 0.000 0.301 303 T C -0.058 174.566 174.700 -0.126 0.000 1.158 303 T CA -0.675 61.348 62.100 -0.128 0.000 1.007 303 T CB 1.474 70.192 68.868 -0.251 0.000 1.186 303 T HN 0.186 nan 8.240 nan 0.000 0.499 304 M N 3.590 123.124 119.600 -0.110 0.000 2.685 304 M HA 0.402 4.883 4.480 0.000 0.000 0.355 304 M C 0.340 176.590 176.300 -0.083 0.000 1.197 304 M CA 0.076 55.340 55.300 -0.062 0.000 0.947 304 M CB -0.948 31.672 32.600 0.033 0.000 1.346 304 M HN 0.719 nan 8.290 nan 0.000 0.516 305 L N 0.277 121.406 121.223 -0.158 0.000 3.730 305 L HA -0.254 4.086 4.340 0.000 0.000 0.410 305 L C -0.186 176.640 176.870 -0.074 0.000 1.234 305 L CA 0.184 54.933 54.840 -0.152 0.000 0.911 305 L CB -1.856 40.133 42.059 -0.115 0.000 1.942 305 L HN 0.301 nan 8.230 nan 0.000 0.860 306 E N 0.271 120.431 120.200 -0.066 0.000 2.408 306 E HA 0.407 4.758 4.350 0.000 0.000 0.259 306 E C 1.042 177.639 176.600 -0.005 0.000 1.110 306 E CA 0.792 57.175 56.400 -0.027 0.000 0.929 306 E CB 0.466 30.145 29.700 -0.036 0.000 0.971 306 E HN 0.276 nan 8.360 nan 0.000 0.438 307 G N -0.034 108.773 108.800 0.011 0.000 2.494 307 G HA2 0.263 4.223 3.960 0.000 0.000 0.270 307 G HA3 0.263 4.223 3.960 0.000 0.000 0.270 307 G C 1.019 175.946 174.900 0.045 0.000 1.423 307 G CA -0.222 44.897 45.100 0.031 0.000 1.055 307 G HN 0.565 nan 8.290 nan 0.000 0.536 308 G N -0.556 108.279 108.800 0.059 0.000 2.440 308 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 308 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 308 G C 1.704 176.624 174.900 0.033 0.000 1.154 308 G CA 1.088 46.225 45.100 0.062 0.000 0.767 308 G HN 0.458 nan 8.290 nan 0.000 0.552 309 I N 1.106 121.688 120.570 0.019 0.000 2.113 309 I HA -0.101 4.069 4.170 0.000 0.000 0.238 309 I C 3.122 179.228 176.117 -0.018 0.000 1.070 309 I CA 1.232 62.532 61.300 -0.000 0.000 1.332 309 I CB -0.612 37.388 38.000 -0.001 0.000 1.044 309 I HN 0.246 nan 8.210 nan 0.000 0.402 310 G N -0.134 108.655 108.800 -0.019 0.000 2.422 310 G HA2 -0.200 3.760 3.960 0.000 0.000 0.218 310 G HA3 -0.200 3.760 3.960 0.000 0.000 0.218 310 G C 1.655 176.521 174.900 -0.057 0.000 1.146 310 G CA 1.299 46.373 45.100 -0.044 0.000 0.769 310 G HN 0.288 nan 8.290 nan 0.000 0.547 311 T N 1.206 115.746 114.554 -0.024 0.000 2.746 311 T HA -0.007 4.343 4.350 0.000 0.000 0.267 311 T C 2.388 177.071 174.700 -0.028 0.000 1.039 311 T CA 0.762 62.853 62.100 -0.015 0.000 1.142 311 T CB -0.160 68.740 68.868 0.052 0.000 0.866 311 T HN 0.142 nan 8.240 nan 0.000 0.444 312 L N 0.566 121.789 121.223 -0.000 0.000 2.156 312 L HA 0.028 4.368 4.340 0.000 0.000 0.208 312 L C 2.974 179.877 176.870 0.055 0.000 1.095 312 L CA 0.809 55.680 54.840 0.052 0.000 0.770 312 L CB -0.564 41.547 42.059 0.086 0.000 0.914 312 L HN 0.232 nan 8.230 nan 0.000 0.439 313 A N -0.534 122.258 122.820 -0.047 0.000 1.933 313 A HA -0.187 4.133 4.320 0.000 0.000 0.218 313 A C 2.499 179.969 177.584 -0.191 0.000 1.175 313 A CA 2.115 54.091 52.037 -0.102 0.000 0.628 313 A CB -0.499 18.435 19.000 -0.110 0.000 0.814 313 A HN 0.376 nan 8.150 nan 0.000 0.444 314 S N -0.095 115.435 115.700 -0.284 0.000 2.355 314 S HA 0.022 4.492 4.470 0.000 0.000 0.222 314 S C 2.363 176.418 174.600 -0.909 0.000 1.031 314 S CA 1.068 58.878 58.200 -0.650 0.000 0.993 314 S CB -0.537 62.360 63.200 -0.504 0.000 0.859 314 S HN 0.801 nan 8.310 nan 0.000 0.453 315 A N 1.992 124.572 122.820 -0.401 0.000 1.883 315 A HA -0.216 4.104 4.320 0.000 0.000 0.217 315 A C 1.880 179.350 177.584 -0.189 0.000 1.186 315 A CA 1.592 53.503 52.037 -0.210 0.000 0.624 315 A CB -1.084 17.861 19.000 -0.092 0.000 0.822 315 A HN 0.588 nan 8.150 nan 0.000 0.444 316 H N -0.787 118.174 119.070 -0.182 0.000 2.422 316 H HA -0.087 4.469 4.556 0.000 0.000 0.298 316 H C 2.507 177.770 175.328 -0.109 0.000 1.098 316 H CA 1.406 57.387 56.048 -0.113 0.000 1.315 316 H CB -0.111 29.593 29.762 -0.097 0.000 1.382 316 H HN 0.569 nan 8.280 nan 0.000 0.523 317 A N 0.960 123.716 122.820 -0.106 0.000 1.897 317 A HA -0.111 4.209 4.320 0.000 0.000 0.215 317 A C 1.940 179.567 177.584 0.072 0.000 1.181 317 A CA 0.913 52.905 52.037 -0.074 0.000 0.620 317 A CB -0.677 18.215 19.000 -0.181 0.000 0.821 317 A HN 0.170 nan 8.150 nan 0.000 0.443 318 F N 0.421 120.370 119.950 -0.003 0.000 2.269 318 F HA -0.028 4.499 4.527 0.000 0.000 0.301 318 F C 1.936 177.722 175.800 -0.023 0.000 1.082 318 F CA 0.079 58.069 58.000 -0.015 0.000 1.360 318 F CB -1.040 37.940 39.000 -0.033 0.000 1.041 318 F HN 0.098 nan 8.300 nan 0.000 0.512 319 L N -0.121 121.174 121.223 0.120 0.000 2.265 319 L HA -0.167 4.173 4.340 0.000 0.000 0.215 319 L C 2.331 179.229 176.870 0.046 0.000 1.117 319 L CA 1.717 56.582 54.840 0.040 0.000 0.782 319 L CB -1.080 40.949 42.059 -0.049 0.000 0.914 319 L HN 0.279 nan 8.230 nan 0.000 0.441 320 T N -2.966 111.628 114.554 0.067 0.000 3.081 320 T HA 0.130 4.480 4.350 0.000 0.000 0.255 320 T C 0.772 175.510 174.700 0.062 0.000 1.113 320 T CA -0.185 61.949 62.100 0.057 0.000 1.082 320 T CB -0.236 68.665 68.868 0.056 0.000 0.939 320 T HN 0.060 nan 8.240 nan 0.000 0.506 321 L N 2.804 124.076 121.223 0.083 0.000 2.410 321 L HA 0.295 4.635 4.340 0.000 0.000 0.273 321 L C 1.890 178.784 176.870 0.040 0.000 1.152 321 L CA -0.499 54.382 54.840 0.068 0.000 0.855 321 L CB 0.395 42.500 42.059 0.078 0.000 1.129 321 L HN 0.135 nan 8.230 nan 0.000 0.463 322 N N 2.777 121.496 118.700 0.031 0.000 2.061 322 N HA -0.172 4.568 4.740 0.000 0.000 0.193 322 N C 0.168 175.684 175.510 0.010 0.000 1.030 322 N CA 1.689 54.750 53.050 0.018 0.000 0.856 322 N CB 0.259 38.755 38.487 0.016 0.000 1.023 322 N HN 0.598 nan 8.380 nan 0.000 0.424 323 K N -0.702 119.703 120.400 0.009 0.000 2.525 323 K HA 0.335 4.655 4.320 0.000 0.000 0.254 323 K C -1.714 174.882 176.600 -0.006 0.000 0.934 323 K CA -0.512 55.772 56.287 -0.005 0.000 0.802 323 K CB 0.988 33.480 32.500 -0.013 0.000 1.295 323 K HN 0.019 nan 8.250 nan 0.000 0.433 324 L N 3.845 125.054 121.223 -0.023 0.000 2.581 324 L HA 0.216 4.557 4.340 0.000 0.000 0.241 324 L C 0.719 177.566 176.870 -0.039 0.000 1.265 324 L CA -0.186 54.638 54.840 -0.027 0.000 0.954 324 L CB 1.309 43.327 42.059 -0.069 0.000 1.269 324 L HN 0.747 nan 8.230 nan 0.000 0.475 325 S N 0.509 116.177 115.700 -0.054 0.000 2.407 325 S HA -0.188 4.283 4.470 0.000 0.000 0.235 325 S C 0.831 175.126 174.600 -0.509 0.000 1.036 325 S CA 1.825 59.865 58.200 -0.266 0.000 1.013 325 S CB -0.152 62.885 63.200 -0.272 0.000 0.820 325 S HN 0.651 nan 8.310 nan 0.000 0.476 326 W N 1.947 123.271 121.300 0.040 0.000 3.102 326 W HA 0.304 4.964 4.660 0.000 0.000 0.401 326 W C 0.192 176.832 176.519 0.203 0.000 1.070 326 W CA -0.527 56.876 57.345 0.098 0.000 1.921 326 W CB -0.227 29.279 29.460 0.076 0.000 1.118 326 W HN 0.126 nan 8.180 nan 0.000 0.647 327 D N -0.550 119.944 120.400 0.156 0.000 3.496 327 D HA -0.196 4.444 4.640 0.000 0.000 0.238 327 D C 0.333 176.584 176.300 -0.082 0.000 1.707 327 D CA 1.700 55.731 54.000 0.051 0.000 1.150 327 D CB -1.061 39.778 40.800 0.065 0.000 0.759 327 D HN 0.121 nan 8.370 nan 0.000 0.936 328 T N -2.721 111.739 114.554 -0.158 0.000 2.812 328 T HA 0.607 4.957 4.350 0.000 0.000 0.294 328 T C -0.551 174.019 174.700 -0.218 0.000 1.159 328 T CA -0.358 61.492 62.100 -0.416 0.000 1.008 328 T CB 2.211 70.951 68.868 -0.213 0.000 1.289 328 T HN 0.620 nan 8.240 nan 0.000 0.514 329 E N 1.106 121.139 120.200 -0.279 0.000 3.385 329 E HA 0.303 4.653 4.350 0.000 0.000 0.206 329 E C -0.145 176.356 176.600 -0.165 0.000 0.997 329 E CA -0.533 55.863 56.400 -0.006 0.000 1.278 329 E CB -0.059 29.663 29.700 0.037 0.000 1.165 329 E HN 0.505 nan 8.360 nan 0.000 0.452 330 L N 2.324 123.553 121.223 0.010 0.000 2.533 330 L HA 0.195 4.535 4.340 0.000 0.000 0.239 330 L C 0.033 177.037 176.870 0.225 0.000 1.376 330 L CA -0.261 54.608 54.840 0.049 0.000 1.240 330 L CB -0.763 41.386 42.059 0.150 0.000 1.487 330 L HN 0.429 nan 8.230 nan 0.000 0.419 331 F N -2.702 117.355 119.950 0.179 0.000 2.661 331 F HA 0.419 4.946 4.527 0.000 0.000 0.306 331 F C 1.702 177.570 175.800 0.112 0.000 1.094 331 F CA -0.621 57.476 58.000 0.162 0.000 1.254 331 F CB -0.831 38.300 39.000 0.219 0.000 1.040 331 F HN 0.083 nan 8.300 nan 0.000 0.562 332 G N 2.337 111.091 108.800 -0.077 0.000 2.574 332 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 332 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 332 G C -0.617 174.363 174.900 0.133 0.000 1.173 332 G CA 1.325 46.419 45.100 -0.011 0.000 0.772 332 G HN 0.321 nan 8.290 nan 0.000 0.585 333 P HA -0.023 nan 4.420 nan 0.000 0.219 333 P C 1.819 179.222 177.300 0.172 0.000 1.146 333 P CA 0.638 63.847 63.100 0.182 0.000 0.808 333 P CB -0.121 31.745 31.700 0.276 0.000 0.779 334 L N -1.784 119.547 121.223 0.180 0.000 2.551 334 L HA -0.054 4.286 4.340 0.000 0.000 0.228 334 L C 1.913 178.930 176.870 0.244 0.000 1.153 334 L CA 0.710 55.647 54.840 0.162 0.000 0.851 334 L CB -0.568 41.577 42.059 0.144 0.000 0.959 334 L HN 0.031 nan 8.230 nan 0.000 0.451 335 L N -0.599 120.765 121.223 0.236 0.000 2.477 335 L HA 0.102 4.442 4.340 0.000 0.000 0.220 335 L C 0.613 177.546 176.870 0.105 0.000 1.106 335 L CA -0.015 54.935 54.840 0.183 0.000 0.851 335 L CB 0.104 42.254 42.059 0.152 0.000 0.994 335 L HN 0.162 nan 8.230 nan 0.000 0.462 336 L N 0.181 121.454 121.223 0.083 0.000 2.290 336 L HA 0.141 4.481 4.340 0.000 0.000 0.284 336 L C 1.621 178.509 176.870 0.029 0.000 1.078 336 L CA -0.272 54.586 54.840 0.029 0.000 0.815 336 L CB 1.361 43.422 42.059 0.003 0.000 1.162 336 L HN 0.113 nan 8.230 nan 0.000 0.435 337 T N -1.099 113.462 114.554 0.011 0.000 2.995 337 T HA 0.064 4.414 4.350 0.000 0.000 0.269 337 T C 0.495 175.205 174.700 0.017 0.000 1.091 337 T CA 0.581 62.698 62.100 0.028 0.000 1.128 337 T CB 0.027 68.919 68.868 0.040 0.000 0.891 337 T HN 0.649 nan 8.240 nan 0.000 0.492 338 E N 0.061 120.236 120.200 -0.041 0.000 2.354 338 E HA 0.411 4.761 4.350 0.000 0.000 0.283 338 E C -1.635 174.886 176.600 -0.132 0.000 0.938 338 E CA -0.787 55.581 56.400 -0.054 0.000 0.777 338 E CB 2.028 31.713 29.700 -0.024 0.000 1.222 338 E HN 0.072 nan 8.360 nan 0.000 0.423 339 D N 1.177 121.553 120.400 -0.040 0.000 2.525 339 D HA 0.406 5.046 4.640 0.000 0.000 0.249 339 D C 0.505 176.821 176.300 0.027 0.000 1.072 339 D CA -0.596 53.387 54.000 -0.028 0.000 1.067 339 D CB 1.463 42.278 40.800 0.026 0.000 1.282 339 D HN 0.529 nan 8.370 nan 0.000 0.587 340 I N -0.844 119.755 120.570 0.049 0.000 3.904 340 I HA 0.305 4.476 4.170 0.000 0.000 0.333 340 I C -0.107 176.059 176.117 0.081 0.000 1.361 340 I CA -0.219 61.141 61.300 0.100 0.000 1.116 340 I CB -0.032 38.029 38.000 0.102 0.000 1.028 340 I HN -0.101 nan 8.210 nan 0.000 0.398 341 L N 1.253 122.515 121.223 0.065 0.000 2.325 341 L HA 0.549 4.889 4.340 0.000 0.000 0.279 341 L C 1.574 178.478 176.870 0.057 0.000 1.054 341 L CA -0.428 54.446 54.840 0.056 0.000 0.804 341 L CB 1.752 43.841 42.059 0.050 0.000 1.200 341 L HN 0.143 nan 8.230 nan 0.000 0.436 342 A N 2.143 124.992 122.820 0.048 0.000 1.898 342 A HA -0.089 4.232 4.320 0.000 0.000 0.216 342 A C 0.804 178.412 177.584 0.040 0.000 1.181 342 A CA 1.260 53.322 52.037 0.043 0.000 0.620 342 A CB -0.110 18.910 19.000 0.034 0.000 0.819 342 A HN 0.728 nan 8.150 nan 0.000 0.442 343 E N 0.071 120.294 120.200 0.039 0.000 2.216 343 E HA 0.424 4.774 4.350 0.000 0.000 0.260 343 E C -2.698 173.930 176.600 0.046 0.000 0.880 343 E CA -2.483 53.940 56.400 0.038 0.000 0.765 343 E CB 1.872 31.589 29.700 0.028 0.000 1.174 343 E HN 0.245 nan 8.360 nan 0.000 0.417 344 P HA 0.296 nan 4.420 nan 0.000 0.274 344 P C -2.410 174.932 177.300 0.070 0.000 1.246 344 P CA -1.260 61.890 63.100 0.083 0.000 0.795 344 P CB 0.006 31.772 31.700 0.111 0.000 1.006 345 P HA 0.078 nan 4.420 nan 0.000 0.270 345 P C -0.671 176.578 177.300 -0.085 0.000 1.223 345 P CA -0.045 63.032 63.100 -0.038 0.000 0.785 345 P CB 0.248 31.897 31.700 -0.085 0.000 0.923 346 V N 3.160 122.975 119.914 -0.165 0.000 2.364 346 V HA 0.202 4.322 4.120 0.000 0.000 0.272 346 V C -0.553 175.446 176.094 -0.158 0.000 1.036 346 V CA -0.134 62.114 62.300 -0.087 0.000 0.880 346 V CB -0.520 31.287 31.823 -0.026 0.000 0.991 346 V HN 0.393 nan 8.190 nan 0.000 0.460 347 Y N 4.603 124.972 120.300 0.115 0.000 2.335 347 Y HA 0.775 5.326 4.550 0.001 0.000 0.338 347 Y C 0.318 176.261 175.900 0.071 0.000 0.977 347 Y CA -0.596 57.578 58.100 0.123 0.000 1.114 347 Y CB 1.669 40.166 38.460 0.061 0.000 1.182 347 Y HN 0.567 nan 8.280 nan 0.000 0.463 348 R N 2.191 122.861 120.500 0.283 0.000 2.604 348 R HA 0.198 4.539 4.340 0.000 0.000 0.261 348 R C -1.730 174.664 176.300 0.156 0.000 1.080 348 R CA -0.538 55.624 56.100 0.103 0.000 0.917 348 R CB 1.214 31.471 30.300 -0.072 0.000 1.252 348 R HN 0.803 nan 8.270 nan 0.000 0.456 349 D N 5.047 125.380 120.400 -0.111 0.000 2.803 349 D HA -0.215 4.425 4.640 0.000 0.000 0.233 349 D C -0.344 175.976 176.300 0.033 0.000 1.182 349 D CA 1.780 55.642 54.000 -0.230 0.000 0.726 349 D CB -0.701 40.087 40.800 -0.021 0.000 0.987 349 D HN 0.616 nan 8.370 nan 0.000 0.412 350 F N -3.024 116.990 119.950 0.107 0.000 2.871 350 F HA -0.314 4.213 4.527 0.000 0.000 0.326 350 F C 0.776 176.543 175.800 -0.055 0.000 0.675 350 F CA 1.131 59.139 58.000 0.014 0.000 1.188 350 F CB -2.109 36.907 39.000 0.026 0.000 1.567 350 F HN 0.401 nan 8.300 nan 0.000 0.325 351 H N -1.013 118.128 119.070 0.118 0.000 2.894 351 H HA 0.762 5.318 4.556 0.000 0.000 0.368 351 H C -0.840 174.460 175.328 -0.047 0.000 1.181 351 H CA -1.191 54.848 56.048 -0.015 0.000 1.146 351 H CB 1.514 31.115 29.762 -0.268 0.000 1.839 351 H HN 0.010 nan 8.280 nan 0.000 0.557 352 L N 1.611 122.815 121.223 -0.031 0.000 2.272 352 L HA 0.388 4.728 4.340 0.000 0.000 0.289 352 L C -1.086 175.600 176.870 -0.306 0.000 1.032 352 L CA -0.285 54.426 54.840 -0.215 0.000 0.810 352 L CB 0.278 42.228 42.059 -0.182 0.000 1.205 352 L HN 0.611 nan 8.230 nan 0.000 0.422 353 H N 3.761 122.749 119.070 -0.136 0.000 2.519 353 H HA 0.549 5.105 4.556 0.000 0.000 0.316 353 H C -0.648 174.609 175.328 -0.118 0.000 1.065 353 H CA -0.505 55.489 56.048 -0.091 0.000 1.264 353 H CB 1.392 31.110 29.762 -0.073 0.000 1.413 353 H HN 0.442 nan 8.280 nan 0.000 0.465 354 V N 3.592 123.474 119.914 -0.055 0.000 2.370 354 V HA 0.209 4.329 4.120 0.000 0.000 0.279 354 V C 0.575 176.630 176.094 -0.064 0.000 1.029 354 V CA -0.750 61.486 62.300 -0.106 0.000 0.870 354 V CB 1.095 32.764 31.823 -0.257 0.000 0.984 354 V HN 0.962 nan 8.190 nan 0.000 0.451 355 S N 4.498 120.188 115.700 -0.017 0.000 2.626 355 S HA 0.305 4.775 4.470 0.000 0.000 0.257 355 S C 0.408 175.026 174.600 0.029 0.000 1.288 355 S CA -0.401 57.806 58.200 0.011 0.000 0.980 355 S CB 0.647 63.864 63.200 0.028 0.000 0.975 355 S HN 0.699 nan 8.310 nan 0.000 0.577 356 K N 0.437 120.859 120.400 0.035 0.000 2.498 356 K HA 0.358 4.679 4.320 0.000 0.000 0.207 356 K C 0.408 177.043 176.600 0.057 0.000 1.033 356 K CA -0.119 56.198 56.287 0.050 0.000 1.138 356 K CB 0.280 32.795 32.500 0.026 0.000 0.860 356 K HN 0.668 nan 8.250 nan 0.000 0.490 357 A N 2.752 125.608 122.820 0.060 0.000 2.466 357 A HA 0.211 4.531 4.320 0.000 0.000 0.238 357 A C -2.316 175.289 177.584 0.035 0.000 1.074 357 A CA -0.969 51.092 52.037 0.040 0.000 0.774 357 A CB -0.164 18.856 19.000 0.034 0.000 1.015 357 A HN -0.010 nan 8.150 nan 0.000 0.498 358 P HA 0.317 nan 4.420 nan 0.000 0.267 358 P C 1.072 178.348 177.300 -0.041 0.000 1.200 358 P CA 1.720 64.815 63.100 -0.008 0.000 0.772 358 P CB 0.469 32.164 31.700 -0.008 0.000 0.855 359 G N 1.912 110.667 108.800 -0.074 0.000 2.574 359 G HA2 -0.311 3.650 3.960 0.000 0.000 0.286 359 G HA3 -0.311 3.650 3.960 0.000 0.000 0.286 359 G C 0.619 175.359 174.900 -0.266 0.000 1.212 359 G CA 0.181 45.198 45.100 -0.138 0.000 0.979 359 G HN 0.499 nan 8.290 nan 0.000 0.557 360 L N 2.289 123.367 121.223 -0.241 0.000 2.591 360 L HA 0.373 4.714 4.340 0.000 0.000 0.228 360 L C 2.172 178.993 176.870 -0.080 0.000 1.133 360 L CA 0.756 55.422 54.840 -0.291 0.000 0.880 360 L CB -0.490 41.462 42.059 -0.178 0.000 1.033 360 L HN 1.886 nan 8.230 nan 0.000 0.450 361 G N 1.631 110.404 108.800 -0.044 0.000 2.323 361 G HA2 -0.253 3.708 3.960 0.000 0.000 0.292 361 G HA3 -0.253 3.708 3.960 0.000 0.000 0.292 361 G C -0.283 174.627 174.900 0.016 0.000 1.040 361 G CA 0.705 45.812 45.100 0.012 0.000 0.942 361 G HN 0.312 nan 8.290 nan 0.000 0.506 362 L N -2.557 118.667 121.223 0.002 0.000 2.424 362 L HA 0.997 5.337 4.340 0.000 0.000 0.258 362 L C -0.061 176.813 176.870 0.008 0.000 0.995 362 L CA -1.211 53.636 54.840 0.010 0.000 0.821 362 L CB 1.546 43.613 42.059 0.014 0.000 1.383 362 L HN 0.711 nan 8.230 nan 0.000 0.410 363 S N 0.680 116.390 115.700 0.016 0.000 2.568 363 S HA 0.828 5.299 4.470 0.000 0.000 0.293 363 S C -0.796 173.820 174.600 0.026 0.000 1.089 363 S CA -0.762 57.449 58.200 0.017 0.000 0.945 363 S CB 1.799 65.009 63.200 0.017 0.000 1.077 363 S HN 0.728 nan 8.310 nan 0.000 0.485 364 L N 2.335 123.575 121.223 0.028 0.000 2.349 364 L HA 0.420 4.761 4.340 0.000 0.000 0.275 364 L C 0.010 176.907 176.870 0.045 0.000 1.115 364 L CA 0.286 55.150 54.840 0.039 0.000 0.820 364 L CB 0.714 42.796 42.059 0.037 0.000 1.135 364 L HN 0.887 nan 8.230 nan 0.000 0.445 365 D N 3.743 124.179 120.400 0.060 0.000 2.456 365 D HA 0.031 4.671 4.640 0.000 0.000 0.219 365 D C 0.669 177.013 176.300 0.073 0.000 1.126 365 D CA -0.210 53.828 54.000 0.063 0.000 0.890 365 D CB 0.867 41.714 40.800 0.078 0.000 1.025 365 D HN 0.504 nan 8.370 nan 0.000 0.511 366 E N 2.624 122.858 120.200 0.056 0.000 2.130 366 E HA -0.243 4.107 4.350 0.000 0.000 0.196 366 E C 1.381 178.021 176.600 0.067 0.000 0.998 366 E CA 0.918 57.352 56.400 0.056 0.000 0.806 366 E CB 0.153 29.876 29.700 0.039 0.000 0.738 366 E HN 0.719 nan 8.360 nan 0.000 0.459 367 E N 0.813 121.048 120.200 0.059 0.000 2.031 367 E HA -0.169 4.181 4.350 0.000 0.000 0.193 367 E C 2.198 178.854 176.600 0.093 0.000 0.994 367 E CA 0.812 57.244 56.400 0.054 0.000 0.800 367 E CB 0.067 29.779 29.700 0.020 0.000 0.752 367 E HN 0.095 nan 8.360 nan 0.000 0.447 368 R N 0.039 120.616 120.500 0.129 0.000 2.120 368 R HA -0.138 4.202 4.340 0.000 0.000 0.234 368 R C 2.536 179.039 176.300 0.338 0.000 1.123 368 R CA 0.957 57.211 56.100 0.257 0.000 0.975 368 R CB -0.283 30.207 30.300 0.316 0.000 0.866 368 R HN 0.227 nan 8.270 nan 0.000 0.446 369 L N 0.584 121.940 121.223 0.222 0.000 2.017 369 L HA -0.077 4.263 4.340 0.000 0.000 0.208 369 L C 2.188 179.150 176.870 0.154 0.000 1.073 369 L CA 2.034 56.989 54.840 0.192 0.000 0.745 369 L CB -0.649 41.482 42.059 0.120 0.000 0.894 369 L HN 0.085 nan 8.230 nan 0.000 0.432 370 A N -1.226 121.664 122.820 0.117 0.000 1.972 370 A HA -0.243 4.077 4.320 0.000 0.000 0.219 370 A C 2.236 179.857 177.584 0.063 0.000 1.169 370 A CA 1.836 53.919 52.037 0.078 0.000 0.635 370 A CB -1.094 17.947 19.000 0.067 0.000 0.810 370 A HN 0.575 nan 8.150 nan 0.000 0.446 371 F N -1.278 118.609 119.950 -0.106 0.000 2.234 371 F HA 0.081 4.608 4.527 0.000 0.000 0.296 371 F C 1.456 177.042 175.800 -0.355 0.000 1.089 371 F CA 1.052 58.882 58.000 -0.283 0.000 1.343 371 F CB 0.020 38.734 39.000 -0.476 0.000 1.040 371 F HN 0.184 nan 8.300 nan 0.000 0.498 372 F N 0.911 120.887 119.950 0.044 0.000 2.746 372 F HA 0.196 4.724 4.527 0.000 0.000 0.297 372 F C 1.022 176.793 175.800 -0.049 0.000 1.113 372 F CA -0.246 57.731 58.000 -0.038 0.000 1.367 372 F CB -0.554 38.498 39.000 0.087 0.000 1.111 372 F HN -0.241 nan 8.300 nan 0.000 0.590 373 R N 1.270 121.841 120.500 0.117 0.000 2.522 373 R HA 0.090 4.430 4.340 0.000 0.000 0.284 373 R C 1.263 177.572 176.300 0.015 0.000 1.032 373 R CA -0.267 55.874 56.100 0.069 0.000 1.049 373 R CB 0.405 30.737 30.300 0.053 0.000 0.956 373 R HN 0.202 nan 8.270 nan 0.000 0.422 374 R N 0.887 121.400 120.500 0.021 0.000 2.127 374 R HA -0.173 4.167 4.340 0.000 0.000 0.238 374 R C -0.247 176.045 176.300 -0.012 0.000 1.134 374 R CA 1.929 58.028 56.100 -0.000 0.000 0.975 374 R CB 0.196 30.502 30.300 0.010 0.000 0.865 374 R HN 0.842 nan 8.270 nan 0.000 0.447 375 E N 0.000 120.198 120.200 -0.003 0.000 2.725 375 E HA 0.000 4.350 4.350 0.000 0.000 0.291 375 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 375 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 375 E HN 0.000 nan 8.360 nan 0.000 0.440